#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbr s LEU 25 N 0.00 3.03 -0.10 2.89 1.43 -1.26 -5.10 118.68 119.57 2jbr s LEU 25 Ca 0.00 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2jbr s LEU 25 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2jbr s LEU 25 CO 0.00 -1.27 -0.23 -0.69 0.23 0.00 0.00 176.35 174.40 2jbr s VAL 26 N -3.17 2.00 -0.13 -1.59 1.01 -1.26 -5.03 120.40 112.23 2jbr s VAL 26 Ca 0.56 -0.98 0.18 0.00 0.00 0.00 0.00 61.98 61.75 2jbr s VAL 26 Cb -0.11 -1.74 -0.21 0.00 0.00 0.00 0.00 36.38 34.32 2jbr s VAL 26 CO 0.47 0.54 0.53 -1.22 0.00 0.00 0.00 175.10 175.42 2jbr n TYR 27 N 3.64 0.47 0.99 5.22 4.01 -1.26 -4.57 117.16 125.66 2jbr n TYR 27 Ca -0.19 0.15 0.10 0.00 -0.16 0.00 0.00 57.90 57.80 2jbr n TYR 27 Cb 0.53 -0.92 -0.07 0.00 -0.31 0.00 0.00 39.34 38.56 2jbr n TYR 27 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2jbr n THR 28 N -2.70 0.00 -3.75 -0.72 -2.24 -1.26 -4.46 114.28 99.16 2jbr n THR 28 Ca -0.15 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.52 2jbr n THR 28 Cb 0.87 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 70.21 2jbr n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jbr n HIS 29 N -0.90 -0.74 -2.71 4.78 1.44 -1.26 -4.94 115.22 110.88 2jbr n HIS 29 Ca 0.06 -0.55 -0.40 0.00 -2.01 0.00 0.00 57.72 54.82 2jbr n HIS 29 Cb 0.38 0.26 -0.06 0.00 0.12 0.00 0.00 29.99 30.70 2jbr n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jbr s ALA 30 N -1.52 3.34 0.08 1.59 0.00 -1.26 -4.77 121.76 119.22 2jbr s ALA 30 Ca 0.13 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 2jbr s ALA 30 Cb -0.01 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 2jbr s ALA 30 CO 0.02 0.13 1.21 -1.14 0.00 0.00 0.00 175.76 175.98 2jbr s GLN 31 N -1.08 4.43 0.10 0.00 0.74 -1.26 -5.01 119.66 117.58 2jbr s GLN 31 Ca 0.42 1.80 -0.31 0.00 0.05 0.00 0.00 55.36 57.33 2jbr s GLN 31 Cb -0.27 -3.33 -0.07 0.00 1.10 0.00 0.00 33.01 30.45 2jbr s GLN 31 CO 0.33 -0.24 1.30 0.95 -0.55 0.00 0.00 175.29 177.07 2jbr s THR 32 N 0.91 3.61 0.18 -0.34 -4.23 -1.26 -4.95 115.64 109.55 2jbr s THR 32 Ca 0.58 1.18 -0.33 0.00 -1.18 0.00 0.00 61.69 61.94 2jbr s THR 32 Cb -0.30 -3.75 -0.13 0.00 1.34 0.00 0.00 72.50 69.65 2jbr s THR 32 CO 0.30 0.10 1.64 -2.65 -0.54 0.00 0.00 174.62 173.48 2jbr n PRO 33 N 3.76 2.42 -2.81 3.99 -0.02 -1.26 -4.89 135.00 136.19 2jbr n PRO 33 Ca 0.10 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 62.02 2jbr n PRO 33 Cb 0.44 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.23 2jbr n PRO 33 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jbr s ASP 34 N 1.05 6.81 0.28 2.55 -1.08 -1.26 -4.83 116.67 120.19 2jbr s ASP 34 Ca 0.77 -2.38 0.05 0.00 -0.52 0.00 0.00 52.55 50.47 2jbr s ASP 34 Cb -0.60 -2.46 -0.06 0.00 -1.46 0.00 0.00 42.92 38.34 2jbr s ASP 34 CO 0.36 -1.04 -0.02 0.68 0.52 0.00 0.00 175.17 175.67 2jbr s VAL 35 N 2.93 1.40 -0.26 1.11 -7.23 -1.26 -5.03 120.40 112.05 2jbr s VAL 35 Ca 0.42 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2jbr s VAL 35 Cb -0.02 -2.50 0.30 0.00 0.56 0.00 0.00 36.38 34.72 2jbr s VAL 35 CO -0.03 -0.24 1.63 -1.54 -0.31 0.00 0.00 175.10 174.61 2jbr n SER 36 N -0.57 4.33 -3.86 4.85 3.41 -1.26 -4.86 113.62 115.66 2jbr n SER 36 Ca -0.05 -2.89 -0.09 0.00 -0.26 0.00 0.00 58.87 55.58 2jbr n SER 36 Cb 0.64 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 2jbr n SER 36 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jbr s GLY 37 N -0.07 0.57 -0.40 5.00 0.00 -1.26 -5.13 107.32 106.03 2jbr s GLY 37 Ca 0.29 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.85 2jbr s GLY 37 CO 0.04 -0.60 1.05 0.14 0.00 0.00 0.00 173.10 173.72 2jbr s VAL 38 N -3.83 4.41 0.71 1.40 1.01 -1.26 -5.02 120.40 117.81 2jbr s VAL 38 Ca 0.22 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 2jbr s VAL 38 Cb -0.01 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.92 2jbr s VAL 38 CO 0.10 -0.73 1.07 -0.94 0.00 0.00 0.00 175.10 174.61 2jbr s SER 39 N 2.07 5.11 0.28 3.32 1.04 -1.26 -4.89 113.70 119.37 2jbr s SER 39 Ca 0.44 1.74 -0.00 0.00 0.48 0.00 0.00 55.95 58.60 2jbr s SER 39 Cb -0.10 -2.51 0.49 0.00 0.10 0.00 0.00 66.02 63.99 2jbr s SER 39 CO 0.23 -1.62 1.87 -0.03 0.98 0.00 0.00 173.24 174.67 2jbr h MET 40 N -0.66 1.05 -0.54 4.02 1.85 -1.95 -2.35 114.93 116.35 2jbr h MET 40 Ca -0.44 -0.06 0.02 0.00 -0.61 0.00 0.00 59.70 58.60 2jbr h MET 40 Cb 1.22 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 32.98 2jbr h MET 40 CO 0.55 0.70 0.33 1.25 -0.40 0.00 0.00 176.91 179.34 2jbr h LEU 41 N 1.09 0.55 -0.72 3.39 5.85 -1.92 0.15 115.31 123.70 2jbr h LEU 41 Ca 0.45 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 2jbr h LEU 41 Cb 0.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2jbr h LEU 41 CO -0.20 0.39 0.40 -0.33 -0.34 0.00 0.00 178.44 178.37 2jbr h GLU 42 N 0.67 0.99 -0.79 1.25 5.08 -1.83 -0.96 114.58 118.98 2jbr h GLU 42 Ca 0.21 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2jbr h GLU 42 Cb -0.01 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 2jbr h GLU 42 CO -0.08 0.73 0.35 0.87 -1.00 0.00 0.00 179.01 179.88 2jbr h LYS 43 N 0.98 1.15 -0.40 2.33 1.57 -0.94 -1.24 116.57 120.02 2jbr h LYS 43 Ca 0.25 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2jbr h LYS 43 Cb 0.02 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2jbr h LYS 43 CO -0.04 0.92 0.22 0.82 -0.57 0.00 0.00 179.45 180.80 2jbr h ILE 44 N 1.13 1.02 -0.34 1.86 1.08 -0.69 -2.83 117.51 118.73 2jbr h ILE 44 Ca 0.27 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 2jbr h ILE 44 Cb 0.17 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 2jbr h ILE 44 CO -0.03 0.08 0.13 1.56 -0.69 0.00 0.00 178.15 179.20 2jbr h GLN 45 N 0.45 0.48 -0.57 2.37 4.20 -0.69 -0.83 115.11 120.52 2jbr h GLN 45 Ca 0.16 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 2jbr h GLN 45 Cb 0.04 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2jbr h GLN 45 CO -0.09 0.41 -0.07 1.96 -0.67 0.00 0.00 178.83 180.37 2jbr h GLN 46 N 0.48 1.05 -0.00 1.46 4.20 -1.02 -3.17 115.11 118.10 2jbr h GLN 46 Ca 0.12 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2jbr h GLN 46 Cb 0.11 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2jbr h GLN 46 CO -0.01 1.07 -0.38 0.44 -0.67 0.00 0.00 178.83 179.27 2jbr n ILE 47 N -4.16 0.00 -0.21 2.54 -5.35 -0.98 -4.46 119.36 106.73 2jbr n ILE 47 Ca 0.02 -0.07 -0.03 0.00 -0.27 0.00 0.00 62.75 62.41 2jbr n ILE 47 Cb 0.38 0.34 0.08 0.00 -1.74 0.00 0.00 39.64 38.70 2jbr n ILE 47 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2jbr h LEU 48 N 0.62 0.50 -1.44 7.28 5.85 -1.13 -1.99 115.31 125.00 2jbr h LEU 48 Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2jbr h LEU 48 Cb 0.50 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2jbr h LEU 48 CO 0.00 0.33 0.46 -0.65 -0.34 0.00 0.00 178.44 178.24 2jbr h PRO 49 N 0.63 0.64 -0.34 5.25 0.11 -1.78 0.10 132.00 136.61 2jbr h PRO 49 Ca 0.27 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 2jbr h PRO 49 Cb 0.16 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2jbr h PRO 49 CO -0.17 0.42 0.04 1.96 -0.21 0.00 0.00 178.00 180.04 2jbr h GLN 50 N 0.66 0.58 -0.72 1.05 4.20 -1.68 -1.29 115.11 117.91 2jbr h GLN 50 Ca 0.31 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 2jbr h GLN 50 Cb 0.35 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2jbr h GLN 50 CO -0.10 0.68 0.33 0.82 -0.67 0.00 0.00 178.83 179.89 2jbr h ILE 51 N 0.41 1.24 -0.71 2.54 1.08 -1.01 -2.41 117.51 118.65 2jbr h ILE 51 Ca 0.10 -0.68 -0.07 0.00 -0.39 0.00 0.00 64.86 63.82 2jbr h ILE 51 Cb 0.39 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 2jbr h ILE 51 CO 0.01 0.28 0.16 0.00 -0.69 0.00 0.00 178.15 177.92 2jbr h ALA 52 N 1.16 0.95 0.00 1.87 0.00 -0.70 -2.83 119.26 119.71 2jbr h ALA 52 Ca 0.24 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2jbr h ALA 52 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jbr h ALA 52 CO -0.03 0.67 -0.36 0.87 0.00 0.00 0.00 179.25 180.40 2jbr h LYS 53 N 1.08 0.00 0.00 0.00 1.79 -1.08 -2.92 116.57 115.43 2jbr h LYS 53 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2jbr h LYS 53 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jbr h LYS 53 CO 0.00 0.36 -0.12 0.09 -1.08 0.00 0.00 179.45 178.71 2jbr n ASN 54 N -3.51 0.24 -0.19 0.86 3.02 -0.92 -4.38 115.26 110.39 2jbr n ASN 54 Ca -0.00 0.36 0.04 0.00 -0.03 0.00 0.00 54.58 54.95 2jbr n ASN 54 Cb 0.51 -0.37 0.32 0.00 -0.61 0.00 0.00 39.78 39.62 2jbr n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jbr h ALA 55 N 2.91 1.62 -0.22 5.41 0.00 -1.30 0.22 119.26 127.89 2jbr h ALA 55 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2jbr h ALA 55 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jbr h ALA 55 CO 0.00 0.29 -0.44 1.49 0.00 0.00 0.00 179.25 180.59 2jbr h GLU 56 N 0.84 0.69 0.00 0.00 4.81 -1.81 -1.57 114.58 117.54 2jbr h GLU 56 Ca 0.30 -0.44 -0.15 0.00 -0.13 0.00 0.00 59.36 58.93 2jbr h GLU 56 Cb 0.13 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2jbr h GLU 56 CO -0.09 1.06 -0.71 0.66 -0.73 0.00 0.00 179.01 179.20 2jbr h SER 57 N 0.40 0.00 -0.60 1.04 4.64 -1.76 -2.90 113.55 114.37 2jbr h SER 57 Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2jbr h SER 57 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2jbr h SER 57 CO 0.10 0.71 0.36 0.00 -0.87 0.00 0.00 176.83 177.13 2jbr h ALA 58 N 1.29 0.77 -0.64 5.18 0.00 -0.53 0.25 119.26 125.58 2jbr h ALA 58 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jbr h ALA 58 Cb 1.32 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2jbr h ALA 58 CO 0.09 0.25 0.36 1.49 0.00 0.00 0.00 179.25 181.43 2jbr h GLU 59 N 0.82 0.64 0.00 0.00 4.57 -1.21 -2.05 114.58 117.34 2jbr h GLU 59 Ca 0.22 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.19 2jbr h GLU 59 Cb -0.02 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 2jbr h GLU 59 CO -0.04 0.43 -0.81 1.96 -1.18 0.00 0.00 179.01 179.37 2jbr h GLN 60 N 0.66 0.00 0.00 1.92 4.20 -1.30 -3.20 115.11 117.40 2jbr h GLN 60 Ca 0.29 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.91 2jbr h GLN 60 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2jbr h GLN 60 CO -0.18 0.81 -0.43 1.25 -0.67 0.00 0.00 178.83 179.61 2jbr h LEU 61 N 0.00 0.00 2.25 1.46 5.85 -0.69 -3.47 115.31 120.71 2jbr h LEU 61 Ca -0.01 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.36 2jbr h LEU 61 Cb 1.46 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 2jbr h LEU 61 CO 0.10 0.43 -0.43 0.54 -0.34 0.00 0.00 178.44 178.75 2jbr n ARG 62 N -3.73 -1.36 -3.64 1.25 1.74 -0.79 -4.97 116.66 105.15 2jbr n ARG 62 Ca -0.01 0.88 -0.07 0.00 -0.77 0.00 0.00 57.85 57.88 2jbr n ARG 62 Cb 0.50 -5.32 -0.02 0.00 -1.02 0.00 0.00 32.46 26.61 2jbr n ARG 62 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2jbr s ARG 63 N -4.68 1.23 0.05 5.56 1.70 -1.24 -3.28 118.95 118.29 2jbr s ARG 63 Ca 0.00 -0.59 -0.31 0.00 -0.47 0.00 0.00 55.73 54.36 2jbr s ARG 63 Cb 0.00 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.79 2jbr s ARG 63 CO 0.00 -0.56 1.49 0.08 -1.08 0.00 0.00 175.30 175.24 2jbr s VAL 64 N -3.47 3.38 0.47 4.99 1.01 -0.03 -4.72 120.40 122.03 2jbr s VAL 64 Ca 0.08 0.84 -0.24 0.00 0.00 0.00 0.00 61.98 62.66 2jbr s VAL 64 Cb -0.02 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 2jbr s VAL 64 CO -0.03 0.01 1.27 -2.65 0.00 0.00 0.00 175.10 173.70 2jbr n PRO 65 N 5.19 1.80 -0.28 2.72 -0.02 -1.26 -4.88 135.00 138.27 2jbr n PRO 65 Ca 0.14 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.38 2jbr n PRO 65 Cb 0.42 -2.43 0.36 0.00 -0.02 0.00 0.00 33.50 31.84 2jbr n PRO 65 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jbr h ASP 66 N 1.79 0.69 -0.80 2.55 5.19 -2.00 -1.55 116.42 122.28 2jbr h ASP 66 Ca -0.49 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2jbr h ASP 66 Cb 1.30 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 2jbr h ASP 66 CO 0.58 0.35 0.51 -0.08 -3.12 0.00 0.00 179.24 177.48 2jbr h GLU 67 N 0.73 1.08 0.06 3.56 4.81 -1.99 -0.54 114.58 122.28 2jbr h GLU 67 Ca 0.46 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2jbr h GLU 67 Cb 0.70 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2jbr h GLU 67 CO -0.22 0.74 -0.05 -0.91 -0.73 0.00 0.00 179.01 177.84 2jbr h ASN 68 N 1.10 -0.12 -0.50 1.04 4.21 -1.65 -0.01 115.58 119.65 2jbr h ASN 68 Ca 0.29 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.83 2jbr h ASN 68 Cb -0.08 0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.13 2jbr h ASN 68 CO -0.06 -0.08 0.30 0.40 -1.29 0.00 0.00 177.43 176.70 2jbr h ILE 69 N -0.11 1.05 -0.34 2.81 1.08 -1.33 -1.21 117.51 119.47 2jbr h ILE 69 Ca -0.00 -0.20 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2jbr h ILE 69 Cb 0.10 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 2jbr h ILE 69 CO -0.01 0.11 0.18 0.50 -0.69 0.00 0.00 178.15 178.24 2jbr h LYS 70 N 0.59 0.36 -0.56 2.37 3.64 -0.94 0.48 116.57 122.51 2jbr h LYS 70 Ca 0.20 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2jbr h LYS 70 Cb 0.02 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2jbr h LYS 70 CO -0.09 0.24 0.13 -0.07 -2.27 0.00 0.00 179.45 177.39 2jbr h LEU 71 N 0.37 0.85 -0.46 5.20 3.38 -0.74 -0.50 115.31 123.40 2jbr h LEU 71 Ca 0.14 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 2jbr h LEU 71 Cb 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2jbr h LEU 71 CO -0.09 0.87 -0.56 -0.07 0.09 0.00 0.00 178.44 178.69 2jbr h LEU 72 N 0.80 0.70 -0.59 1.67 3.38 -1.06 -2.64 115.31 117.56 2jbr h LEU 72 Ca 0.18 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 2jbr h LEU 72 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jbr h LEU 72 CO 0.00 1.11 -0.65 0.11 0.09 0.00 0.00 178.44 179.10 2jbr h LYS 73 N 0.48 0.23 -0.76 1.13 1.57 -0.86 -2.24 116.57 116.11 2jbr h LYS 73 Ca 0.01 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2jbr h LYS 73 Cb 1.12 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 2jbr h LYS 73 CO 0.11 0.80 0.39 1.49 -0.57 0.00 0.00 179.45 181.66 2jbr h GLU 74 N 0.16 1.09 0.00 3.15 4.81 -0.95 -1.64 114.58 121.20 2jbr h GLU 74 Ca -0.01 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2jbr h GLU 74 Cb 1.17 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2jbr h GLU 74 CO 0.10 0.83 0.00 0.44 -0.73 0.00 0.00 179.01 179.65 2jbr n ILE 75 N -4.41 0.55 -0.59 2.32 -5.35 -1.01 -4.94 119.36 105.93 2jbr n ILE 75 Ca 0.07 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2jbr n ILE 75 Cb 0.12 -0.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 2jbr n ILE 75 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jbr n GLY 76 N 1.12 0.72 0.26 3.28 0.00 -0.62 -4.99 105.19 104.97 2jbr n GLY 76 Ca 0.05 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 2jbr n GLY 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jbr h LEU 77 N 0.00 0.43 -2.75 0.99 5.85 -1.64 -2.69 115.31 115.51 2jbr h LEU 77 Ca 0.00 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2jbr h LEU 77 Cb 0.06 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2jbr h LEU 77 CO 0.00 0.56 -0.00 1.12 -0.34 0.00 0.00 178.44 179.78 2jbr h HIS 78 N 0.43 0.00 -0.48 1.25 2.07 -1.89 -1.76 115.15 114.77 2jbr h HIS 78 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 2jbr h HIS 78 Cb 0.41 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.39 2jbr h HIS 78 CO 0.01 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.42 2jbr n ARG 79 N -3.36 3.36 -0.18 5.12 1.74 -1.01 -4.51 116.66 117.82 2jbr n ARG 79 Ca -0.03 -2.24 -0.02 0.00 -0.77 0.00 0.00 57.85 54.79 2jbr n ARG 79 Cb 0.08 -1.85 0.08 0.00 -1.02 0.00 0.00 32.46 29.75 2jbr n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jbr h ALA 80 N 3.69 0.67 -0.22 7.54 0.00 -1.47 0.90 119.26 130.37 2jbr h ALA 80 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jbr h ALA 80 Cb 1.31 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2jbr h ALA 80 CO 0.24 -0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.46 2jbr n PHE 81 N -5.02 0.32 -2.43 0.00 3.72 -1.26 0.05 117.46 112.84 2jbr n PHE 81 Ca 0.06 -0.53 -0.41 0.00 -0.05 0.00 0.00 57.45 56.53 2jbr n PHE 81 Cb 0.23 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 2jbr n PHE 81 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2jbr s GLN 82 N -1.14 4.57 0.46 -1.08 0.74 -1.18 -3.64 119.66 118.39 2jbr s GLN 82 Ca 0.17 1.84 -0.24 0.00 0.05 0.00 0.00 55.36 57.17 2jbr s GLN 82 Cb 0.10 -3.21 -0.09 0.00 1.10 0.00 0.00 33.01 30.91 2jbr s GLN 82 CO 0.10 0.08 1.19 -2.30 -0.55 0.00 0.00 175.29 173.81 2jbr n PRO 83 N 1.72 1.65 0.10 1.67 -0.02 -1.26 -3.50 135.00 135.35 2jbr n PRO 83 Ca 0.01 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 2jbr n PRO 83 Cb 0.45 -2.30 0.54 0.00 -0.02 0.00 0.00 33.50 32.16 2jbr n PRO 83 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2jbr h LYS 84 N 1.70 0.27 -0.16 -0.52 1.57 -1.93 -1.68 116.57 115.83 2jbr h LYS 84 Ca -0.47 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 2jbr h LYS 84 Cb 1.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2jbr h LYS 84 CO 0.58 0.18 0.12 -0.39 -0.57 0.00 0.00 179.45 179.36 2jbr h VAL 85 N 0.28 0.86 -0.37 0.50 -1.51 -1.90 -0.80 116.25 113.31 2jbr h VAL 85 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 2jbr h VAL 85 Cb 0.10 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 2jbr h VAL 85 CO -0.02 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.10 2jbr n TYR 86 N -4.41 0.48 -0.19 5.19 4.01 -0.90 -4.91 117.16 116.44 2jbr n TYR 86 Ca 0.01 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2jbr n TYR 86 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2jbr n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jbr n GLY 87 N 1.36 0.89 3.86 2.72 0.00 -0.31 -4.88 105.19 108.84 2jbr n GLY 87 Ca 0.18 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2jbr n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jbr s GLY 88 N -2.10 1.61 -0.11 -0.02 0.00 -0.68 -4.96 107.32 101.06 2jbr s GLY 88 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.34 2jbr s GLY 88 CO 0.00 -0.01 0.42 1.04 0.00 0.00 0.00 173.10 174.55 2jbr n LEU 89 N -3.28 1.38 -3.72 0.66 4.77 0.30 -4.19 117.00 112.92 2jbr n LEU 89 Ca 0.07 0.25 -0.28 0.00 -0.03 0.00 0.00 56.01 56.02 2jbr n LEU 89 Cb 0.59 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2jbr n LEU 89 CO 0.57 0.57 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.49 2jbr n GLU 90 N -3.13 -2.20 -1.84 3.23 1.02 -0.67 -4.94 120.64 112.11 2jbr n GLU 90 Ca -0.26 0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 57.00 2jbr n GLU 90 Cb 1.06 -4.43 0.06 0.00 -0.02 0.00 0.00 31.44 28.11 2jbr n GLU 90 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2jbr s MET 91 N -6.02 2.70 0.63 3.49 -1.94 0.11 -4.93 119.30 113.34 2jbr s MET 91 Ca 0.31 1.96 -0.16 0.00 -1.71 0.00 0.00 55.69 56.10 2jbr s MET 91 Cb -0.11 -1.88 -0.01 0.00 2.01 0.00 0.00 34.83 34.84 2jbr s MET 91 CO 0.85 -1.45 1.11 -1.54 -0.01 0.00 0.00 175.02 173.98 2jbr s SER 92 N -1.50 5.27 0.16 3.03 1.04 -1.26 -4.86 113.70 115.58 2jbr s SER 92 Ca 0.80 2.01 -0.16 0.00 0.48 0.00 0.00 55.95 59.08 2jbr s SER 92 Cb -0.34 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.30 2jbr s SER 92 CO 0.37 -1.52 1.76 0.25 0.98 0.00 0.00 173.24 175.08 2jbr h LEU 93 N 0.25 0.19 -0.67 2.42 5.85 -1.95 -2.24 115.31 119.16 2jbr h LEU 93 Ca -0.47 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.36 2jbr h LEU 93 Cb 1.25 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 2jbr h LEU 93 CO 0.55 0.14 0.33 -0.65 -0.34 0.00 0.00 178.44 178.47 2jbr h PRO 94 N 0.32 0.56 -0.35 5.25 0.11 -1.94 0.45 132.00 136.41 2jbr h PRO 94 Ca 0.17 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 2jbr h PRO 94 Cb 0.13 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2jbr h PRO 94 CO -0.16 0.37 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.53 2jbr h ASP 95 N 0.58 0.63 -0.02 -2.05 3.32 -1.91 -1.77 116.42 115.20 2jbr h ASP 95 Ca 0.32 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2jbr h ASP 95 Cb 0.31 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2jbr h ASP 95 CO -0.25 0.81 0.01 0.15 -1.72 0.00 0.00 179.24 178.24 2jbr h PHE 96 N 0.44 0.03 -0.94 4.55 3.57 -1.19 -2.85 116.94 120.54 2jbr h PHE 96 Ca 0.09 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2jbr h PHE 96 Cb 0.51 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 2jbr h PHE 96 CO 0.04 0.17 0.61 0.00 -2.23 0.00 0.00 178.31 176.91 2jbr h ALA 97 N 0.85 1.44 -0.15 2.41 0.00 -0.84 -1.02 119.26 121.95 2jbr h ALA 97 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2jbr h ALA 97 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jbr h ALA 97 CO -0.00 0.44 -0.13 -0.91 0.00 0.00 0.00 179.25 178.65 2jbr h ASN 98 N 1.13 0.22 -0.55 0.00 2.35 -1.30 -0.85 115.58 116.59 2jbr h ASN 98 Ca 0.39 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 56.00 2jbr h ASN 98 Cb 0.11 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2jbr h ASN 98 CO -0.14 0.38 -0.04 0.00 -1.65 0.00 0.00 177.43 175.99 2jbr h ILE 100 N 0.88 1.28 0.12 0.00 1.08 -1.05 -0.69 117.51 119.12 2jbr h ILE 100 Ca 0.15 -1.45 0.02 0.00 -0.39 0.00 0.00 64.86 63.18 2jbr h ILE 100 Cb 0.59 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 2jbr h ILE 100 CO 0.04 0.49 -0.22 0.58 -0.69 0.00 0.00 178.15 178.34 2jbr h VAL 101 N 0.72 0.51 -0.41 1.67 2.07 -1.11 -0.33 116.25 119.36 2jbr h VAL 101 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2jbr h VAL 101 Cb 0.85 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2jbr h VAL 101 CO 0.07 0.00 0.24 0.74 0.02 0.00 0.00 177.57 178.65 2jbr h THR 102 N -0.41 1.13 -0.74 2.57 2.02 -1.26 -2.77 112.91 113.45 2jbr h THR 102 Ca 0.03 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.93 2jbr h THR 102 Cb 0.43 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2jbr h THR 102 CO -0.12 0.13 0.47 0.25 0.37 0.00 0.00 175.52 176.62 2jbr h LEU 103 N 0.53 0.77 -2.41 2.58 5.85 -1.03 -2.59 115.31 119.02 2jbr h LEU 103 Ca 0.15 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2jbr h LEU 103 Cb 0.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2jbr h LEU 103 CO -0.03 0.53 -0.03 0.00 -0.34 0.00 0.00 178.44 178.58 2jbr h ALA 104 N 1.31 1.18 0.00 1.25 0.00 -0.77 -1.30 119.26 120.93 2jbr h ALA 104 Ca 0.29 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2jbr h ALA 104 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jbr h ALA 104 CO -0.11 0.04 -0.29 0.78 0.00 0.00 0.00 179.25 179.67 2jbr h GLY 105 N 0.49 0.00 0.23 0.00 0.00 -1.31 -3.24 103.07 99.25 2jbr h GLY 105 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2jbr h GLY 105 CO 0.00 0.00 -1.39 0.00 0.00 0.00 0.00 176.54 175.16 2jbr h ALA 106 N 1.71 0.27 -1.43 3.60 0.00 -1.35 -3.47 119.26 118.59 2jbr h ALA 106 Ca -0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 54.91 53.68 2jbr h ALA 106 Cb 0.54 0.65 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 2jbr h ALA 106 CO 0.04 0.82 -0.38 0.00 0.00 0.00 0.00 179.25 179.73 2jbr h ALA 108 N 8.09 0.61 -0.73 0.00 0.00 -1.81 -1.91 119.26 123.51 2jbr h ALA 108 Ca -0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2jbr h ALA 108 Cb 1.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2jbr h ALA 108 CO 0.26 0.51 0.35 0.78 0.00 0.00 0.00 179.25 181.15 2jbr h GLY 109 N 0.69 1.12 0.95 0.00 0.00 -1.89 0.12 103.07 104.07 2jbr h GLY 109 Ca 0.11 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2jbr h GLY 109 CO 0.05 0.53 0.09 -0.84 0.00 0.00 0.00 176.54 176.37 2jbr h THR 110 N 1.02 1.09 -0.60 4.70 2.02 -1.73 -0.89 112.91 118.53 2jbr h THR 110 Ca 0.25 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2jbr h THR 110 Cb 0.12 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2jbr h THR 110 CO -0.03 0.09 0.29 0.00 0.37 0.00 0.00 175.52 176.24 2jbr h ALA 111 N 1.00 0.77 0.07 6.16 0.00 -1.08 0.13 119.26 126.31 2jbr h ALA 111 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jbr h ALA 111 Cb 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2jbr h ALA 111 CO -0.01 0.33 -0.03 2.35 0.00 0.00 0.00 179.25 181.89 2jbr h TRP 112 N 0.82 -0.08 -0.32 0.00 2.91 -0.70 0.37 115.95 118.94 2jbr h TRP 112 Ca 0.21 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.18 2jbr h TRP 112 Cb 0.11 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 2jbr h TRP 112 CO -0.00 0.13 0.03 0.00 -1.03 0.00 0.00 178.44 177.57 2jbr h ALA 113 N 0.62 0.43 -0.21 2.65 0.00 -1.10 -2.99 119.26 118.66 2jbr h ALA 113 Ca -0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 2jbr h ALA 113 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jbr h ALA 113 CO 0.02 0.14 -0.48 0.35 0.00 0.00 0.00 179.25 179.28 2jbr h PHE 114 N 0.36 0.69 -0.49 0.00 3.57 -0.74 -2.12 116.94 118.20 2jbr h PHE 114 Ca 0.09 -0.22 0.09 0.00 3.53 0.00 0.00 57.97 61.46 2jbr h PHE 114 Cb 0.39 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 2jbr h PHE 114 CO 0.03 0.94 0.06 1.03 -2.23 0.00 0.00 178.31 178.13 2jbr h SER 115 N 0.45 -0.08 -0.50 0.41 0.87 -0.94 -0.97 113.55 112.78 2jbr h SER 115 Ca 0.02 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 2jbr h SER 115 Cb 1.01 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2jbr h SER 115 CO 0.09 -0.01 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.29 2jbr h LEU 116 N 0.18 0.89 -1.59 2.23 3.38 -1.36 0.14 115.31 119.19 2jbr h LEU 116 Ca 0.25 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 58.00 2jbr h LEU 116 Cb 0.35 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2jbr h LEU 116 CO -0.36 0.99 0.42 -0.07 0.09 0.00 0.00 178.44 179.52 2jbr h LEU 117 N 0.77 0.42 0.01 1.67 3.38 -1.01 -1.59 115.31 118.95 2jbr h LEU 117 Ca 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2jbr h LEU 117 Cb 0.55 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jbr h LEU 117 CO 0.03 0.25 -0.13 0.00 0.09 0.00 0.00 178.44 178.68 2jbr h THR 119 N -0.71 0.41 -0.12 0.00 1.35 -0.46 -2.77 112.91 110.62 2jbr h THR 119 Ca -0.02 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 64.95 2jbr h THR 119 Cb 0.95 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 2jbr h THR 119 CO 0.02 0.15 -0.13 0.45 -0.25 0.00 0.00 175.52 175.76 2jbr h HIS 120 N 0.00 0.19 -0.15 4.73 -0.00 -1.44 -2.42 115.15 116.07 2jbr h HIS 120 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 2jbr h HIS 120 Cb 0.60 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 2jbr h HIS 120 CO 0.00 0.32 -0.06 0.77 -0.00 0.00 0.00 177.93 178.96 2jbr h SER 121 N 0.18 0.20 -0.62 2.45 0.02 -1.66 -0.63 113.55 113.49 2jbr h SER 121 Ca 0.04 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2jbr h SER 121 Cb 0.35 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2jbr h SER 121 CO 0.02 0.29 0.19 -0.74 -1.14 0.00 0.00 176.83 175.45 2jbr h HIS 122 N 0.21 1.03 0.08 3.45 6.17 -1.50 -1.96 115.15 122.63 2jbr h HIS 122 Ca 0.05 -0.10 -0.00 0.00 0.71 0.00 0.00 60.37 61.03 2jbr h HIS 122 Cb 0.24 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 29.87 2jbr h HIS 122 CO 0.00 0.83 -0.04 0.37 0.71 0.00 0.00 177.93 179.81 2jbr h GLN 123 N 0.96 -0.10 -0.65 5.26 4.15 -1.40 -3.18 115.11 120.15 2jbr h GLN 123 Ca 0.21 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.78 2jbr h GLN 123 Cb 0.30 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 2jbr h GLN 123 CO -0.01 0.36 0.45 0.82 -1.93 0.00 0.00 178.83 178.53 2jbr h ILE 124 N -0.61 0.78 0.00 2.39 2.04 -1.09 0.13 117.51 121.16 2jbr h ILE 124 Ca -0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jbr h ILE 124 Cb 0.51 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2jbr h ILE 124 CO 0.02 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.21 2jbr n ALA 125 N -2.57 1.32 0.82 1.87 0.00 -0.74 -1.62 120.51 119.59 2jbr n ALA 125 Ca 0.12 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.62 2jbr n ALA 125 Cb 0.54 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2jbr n ALA 125 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jbr n MET 126 N -1.49 1.45 -1.81 0.00 2.81 0.47 -4.77 117.12 113.77 2jbr n MET 126 Ca 0.02 -0.61 -0.30 0.00 -1.81 0.00 0.00 57.70 55.00 2jbr n MET 126 Cb 0.08 -1.34 0.17 0.00 -0.71 0.00 0.00 33.22 31.42 2jbr n MET 126 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2jbr s PHE 127 N -2.26 1.79 0.66 2.03 0.40 -0.64 -1.24 117.98 118.71 2jbr s PHE 127 Ca 0.13 0.45 -0.18 0.00 -0.60 0.00 0.00 56.93 56.73 2jbr s PHE 127 Cb 0.14 -3.89 -0.00 0.00 0.51 0.00 0.00 43.02 39.78 2jbr s PHE 127 CO 0.54 -2.61 1.29 -1.54 0.70 0.00 0.00 175.22 173.61 2jbr s SER 128 N -4.67 4.50 0.37 1.36 1.04 -1.26 -2.85 113.70 112.19 2jbr s SER 128 Ca 0.71 2.62 0.12 0.00 0.48 0.00 0.00 55.95 59.87 2jbr s SER 128 Cb -0.06 -2.62 0.90 0.00 0.10 0.00 0.00 66.02 64.34 2jbr s SER 128 CO 0.53 -2.07 1.85 0.50 0.98 0.00 0.00 173.24 175.02 2jbr h LYS 129 N 0.43 0.58 -0.57 4.02 3.64 -1.95 -2.43 116.57 120.29 2jbr h LYS 129 Ca -0.51 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 2jbr h LYS 129 Cb 1.34 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2jbr h LYS 129 CO 0.53 0.39 0.27 1.96 -2.27 0.00 0.00 179.45 180.32 2jbr h GLN 130 N 0.60 0.83 -0.39 1.90 7.50 -1.94 0.15 115.11 123.77 2jbr h GLN 130 Ca 0.47 -0.13 -0.04 0.00 0.50 0.00 0.00 58.65 59.46 2jbr h GLN 130 Cb 0.91 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 28.27 2jbr h GLN 130 CO -0.22 0.68 0.07 1.25 -1.50 0.00 0.00 178.83 179.11 2jbr h LEU 131 N 0.78 0.61 -0.34 1.46 5.85 -1.71 -1.50 115.31 120.45 2jbr h LEU 131 Ca 0.20 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2jbr h LEU 131 Cb 0.13 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2jbr h LEU 131 CO -0.02 0.71 0.10 1.56 -0.34 0.00 0.00 178.44 180.45 2jbr h GLN 132 N 0.49 0.54 -0.42 1.25 4.20 -1.14 -0.32 115.11 119.70 2jbr h GLN 132 Ca 0.12 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.78 2jbr h GLN 132 Cb 0.35 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 2jbr h GLN 132 CO 0.01 0.57 0.06 -0.44 -0.67 0.00 0.00 178.83 178.35 2jbr h ASP 133 N 0.40 -0.05 -0.93 1.46 3.32 -0.73 0.18 116.42 120.07 2jbr h ASP 133 Ca 0.11 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.27 2jbr h ASP 133 Cb 0.26 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 2jbr h ASP 133 CO -0.00 0.01 0.61 -0.08 -1.72 0.00 0.00 179.24 178.06 2jbr h GLU 134 N 0.18 1.16 0.01 3.56 4.81 -0.84 -1.01 114.58 122.45 2jbr h GLU 134 Ca 0.21 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jbr h GLU 134 Cb 0.27 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2jbr h GLU 134 CO -0.30 0.77 -0.01 0.82 -0.73 0.00 0.00 179.01 179.57 2jbr h ILE 135 N 1.20 1.50 0.00 2.32 2.04 -0.71 -3.39 117.51 120.46 2jbr h ILE 135 Ca 0.36 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 64.25 2jbr h ILE 135 Cb -0.03 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2jbr h ILE 135 CO -0.10 0.47 -2.03 0.79 0.00 0.00 0.00 178.15 177.28 2jbr n TRP 136 N -4.69 0.00 -0.04 1.37 8.01 0.60 -2.59 117.44 120.10 2jbr n TRP 136 Ca -0.09 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.95 2jbr n TRP 136 Cb 0.38 -0.54 -0.04 0.00 -2.01 0.00 0.00 31.31 29.10 2jbr n TRP 136 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 2jbr h LEU 137 N 0.00 0.92 0.53 -0.99 3.38 -1.34 -2.48 115.31 115.33 2jbr h LEU 137 Ca -0.05 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 2jbr h LEU 137 Cb 1.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2jbr h LEU 137 CO 0.00 1.34 -0.32 0.50 0.09 0.00 0.00 178.44 180.05 2jbr h LYS 138 N 0.58 -0.78 -2.56 1.13 3.64 -1.71 -3.42 116.57 113.44 2jbr h LYS 138 Ca -0.02 0.05 -0.41 0.00 -1.27 0.00 0.00 60.65 59.00 2jbr h LYS 138 Cb 1.28 0.18 -0.37 0.00 -0.41 0.00 0.00 32.23 32.90 2jbr h LYS 138 CO 0.14 -0.52 -0.70 0.34 -2.27 0.00 0.00 179.45 176.44 2jbr s ASP 139 N -4.50 2.34 0.63 4.20 2.15 -1.07 -5.02 116.67 115.41 2jbr s ASP 139 Ca -0.17 -0.80 0.41 0.00 0.43 0.00 0.00 52.55 52.42 2jbr s ASP 139 Cb 0.04 0.09 2.13 0.00 -0.30 0.00 0.00 42.92 44.89 2jbr s ASP 139 CO 0.63 -0.39 2.27 -0.65 -0.17 0.00 0.00 175.17 176.86 2jbr h PRO 140 N 8.34 0.00 -0.43 4.34 0.11 -1.70 -2.43 132.00 140.24 2jbr h PRO 140 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2jbr h PRO 140 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jbr h PRO 140 CO 0.35 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.90 2jbr n ASP 141 N -3.12 3.35 -4.76 -2.05 8.00 -1.26 -4.98 116.55 111.73 2jbr n ASP 141 Ca -0.02 -1.97 -0.40 0.00 0.71 0.00 0.00 54.79 53.10 2jbr n ASP 141 Cb 0.13 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 2jbr n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jbr s ALA 142 N -1.44 3.44 0.23 2.24 0.00 -0.92 -5.05 121.76 120.26 2jbr s ALA 142 Ca 0.40 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.45 2jbr s ALA 142 Cb 0.23 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 2jbr s ALA 142 CO 0.31 -0.38 -0.02 0.95 0.00 0.00 0.00 175.76 176.62 2jbr s THR 143 N -1.16 1.12 0.08 0.00 -4.23 -1.26 -5.00 115.64 105.18 2jbr s THR 143 Ca 0.47 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2jbr s THR 143 Cb -0.35 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 2jbr s THR 143 CO 0.46 -0.37 -0.15 0.00 -0.54 0.00 0.00 174.62 174.02 2jbr s ALA 144 N -3.36 2.74 0.39 3.99 0.00 -1.26 -1.38 121.76 122.88 2jbr s ALA 144 Ca 0.27 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 51.05 2jbr s ALA 144 Cb 0.05 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.46 2jbr s ALA 144 CO 0.08 0.60 0.54 -1.13 0.00 0.00 0.00 175.76 175.85 2jbr n SER 145 N 1.10 1.46 -3.83 0.00 3.41 -0.28 -4.31 113.62 111.18 2jbr n SER 145 Ca -0.15 -2.06 -0.10 0.00 -0.26 0.00 0.00 58.87 56.31 2jbr n SER 145 Cb 0.52 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 2jbr n SER 145 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jbr s SER 146 N -3.44 -0.11 -0.27 4.04 1.04 -1.26 -0.18 113.70 113.52 2jbr s SER 146 Ca 0.41 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 56.18 2jbr s SER 146 Cb -0.03 0.50 0.15 0.00 0.10 0.00 0.00 66.02 66.74 2jbr s SER 146 CO 0.26 -0.96 0.41 -0.55 0.98 0.00 0.00 173.24 173.38 2jbr s SER 147 N -2.91 0.15 -0.01 7.02 0.15 -0.44 -4.02 113.70 113.64 2jbr s SER 147 Ca 0.12 0.00 0.18 0.00 0.70 0.00 0.00 55.95 56.96 2jbr s SER 147 Cb 0.01 1.21 -0.23 0.00 -1.71 0.00 0.00 66.02 65.29 2jbr s SER 147 CO -0.02 -0.32 0.63 2.30 1.20 0.00 0.00 173.24 177.03 2jbr n ILE 148 N 5.37 0.00 -2.14 6.45 -6.64 -1.26 -1.95 119.36 119.18 2jbr n ILE 148 Ca -0.01 -0.21 -0.42 0.00 -1.77 0.00 0.00 62.75 60.34 2jbr n ILE 148 Cb 0.50 0.64 -0.03 0.00 -1.44 0.00 0.00 39.64 39.32 2jbr n ILE 148 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jbr s ALA 149 N -2.94 3.61 -1.18 -1.28 0.00 -1.26 -4.10 121.76 114.61 2jbr s ALA 149 Ca 0.02 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 2jbr s ALA 149 Cb 0.13 -3.64 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2jbr s ALA 149 CO 0.76 -1.03 2.24 -0.35 0.00 0.00 0.00 175.76 177.38 2jbr n PRO 150 N 5.69 2.45 0.06 0.00 -0.04 -1.26 -4.57 135.00 137.34 2jbr n PRO 150 Ca 0.14 -2.10 0.12 0.00 -0.04 0.00 0.00 63.50 61.62 2jbr n PRO 150 Cb 0.43 -2.94 0.11 0.00 -0.04 0.00 0.00 33.50 31.05 2jbr n PRO 150 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jbr n PHE 151 N 5.76 0.56 -2.26 0.54 3.72 -1.26 -4.65 117.46 119.87 2jbr n PHE 151 Ca 0.55 0.16 -0.35 0.00 -0.05 0.00 0.00 57.45 57.76 2jbr n PHE 151 Cb 0.32 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 2jbr n PHE 151 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2jbr s GLY 152 N -3.79 2.65 -0.13 1.37 0.00 -1.26 -4.89 107.32 101.28 2jbr s GLY 152 Ca 0.04 0.84 -0.15 0.00 0.00 0.00 0.00 44.72 45.45 2jbr s GLY 152 CO 0.75 1.21 0.36 0.54 0.00 0.00 0.00 173.10 175.96 2jbr s LYS 153 N -3.21 4.24 -0.15 2.90 1.02 0.14 -4.73 119.74 119.94 2jbr s LYS 153 Ca 0.72 0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 2jbr s LYS 153 Cb -0.24 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 2jbr s LYS 153 CO 0.28 0.26 -0.12 0.54 -0.92 0.00 0.00 175.35 175.38 2jbr s VAL 154 N 0.38 2.99 -0.23 3.17 0.11 -1.26 -1.53 120.40 124.02 2jbr s VAL 154 Ca 0.20 -0.67 -0.06 0.00 -2.93 0.00 0.00 61.98 58.53 2jbr s VAL 154 Cb -0.14 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 2jbr s VAL 154 CO 0.07 0.51 0.02 -0.70 -3.33 0.00 0.00 175.10 171.66 2jbr s GLU 155 N 0.68 3.55 -0.42 1.54 2.12 0.08 -4.97 118.70 121.28 2jbr s GLU 155 Ca -0.06 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 2jbr s GLU 155 Cb -0.15 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2jbr s GLU 155 CO 0.02 -0.16 1.49 -1.21 -0.54 0.00 0.00 175.26 174.87 2jbr s GLU 156 N 1.46 3.48 0.26 4.30 0.41 -1.26 -0.52 118.70 126.83 2jbr s GLU 156 Ca 0.05 0.96 0.03 0.00 -0.41 0.00 0.00 54.97 55.60 2jbr s GLU 156 Cb -0.15 -4.08 0.03 0.00 -1.78 0.00 0.00 34.13 28.15 2jbr s GLU 156 CO 0.01 -1.69 0.22 1.33 -0.49 0.00 0.00 175.26 174.64 2jbr n VAL 157 N 7.13 0.00 -3.46 2.63 0.24 -1.11 -4.97 118.33 118.78 2jbr n VAL 157 Ca 0.17 -1.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.08 2jbr n VAL 157 Cb 0.48 -0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 32.44 2jbr n VAL 157 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2jbr s GLU 158 N -3.09 4.05 0.00 7.34 -1.05 -1.26 -3.80 118.70 120.89 2jbr s GLU 158 Ca 0.17 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 2jbr s GLU 158 Cb -0.01 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.38 2jbr s GLU 158 CO 0.11 0.51 0.00 0.41 0.95 0.00 0.00 175.26 177.24 2jbr n GLY 159 N 2.34 0.62 0.00 -3.83 0.00 -1.26 -4.92 105.19 98.14 2jbr n GLY 159 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2jbr n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jbr n GLY 160 N -2.75 -0.28 3.27 -0.02 0.00 -1.25 -1.11 105.19 103.05 2jbr n GLY 160 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 2jbr n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jbr s ILE 161 N -4.00 0.82 -0.16 -0.61 -4.36 -0.50 -2.75 121.20 109.64 2jbr s ILE 161 Ca 0.00 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.36 2jbr s ILE 161 Cb 0.00 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 2jbr s ILE 161 CO 0.00 -0.46 -0.08 -0.63 0.24 0.00 0.00 174.94 174.02 2jbr s ILE 162 N -3.56 3.41 -0.09 8.37 1.01 0.32 -1.12 121.20 129.54 2jbr s ILE 162 Ca 0.25 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.41 2jbr s ILE 162 Cb 0.06 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 2jbr s ILE 162 CO 0.05 0.49 -0.20 -0.22 0.00 0.00 0.00 174.94 175.06 2jbr s LEU 163 N 0.68 2.37 0.01 2.97 2.96 0.58 -0.74 118.68 127.50 2jbr s LEU 163 Ca -0.04 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 2jbr s LEU 163 Cb -0.15 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2jbr s LEU 163 CO 0.02 0.21 -0.19 0.20 -1.32 0.00 0.00 176.35 175.27 2jbr s ASN 164 N 0.05 2.27 0.00 3.68 -0.87 -0.58 -1.30 114.94 118.18 2jbr s ASN 164 Ca -0.08 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 2jbr s ASN 164 Cb -0.15 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.85 2jbr s ASN 164 CO 0.05 0.20 0.00 0.61 -2.57 0.00 0.00 177.10 175.39 2jbr n GLY 165 N 2.32 3.28 3.60 0.66 0.00 -0.67 0.24 105.19 114.63 2jbr n GLY 165 Ca -0.16 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2jbr n GLY 165 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jbr s ASP 166 N 0.00 6.38 -0.61 1.61 1.01 -1.26 -1.16 116.67 122.64 2jbr s ASP 166 Ca 0.00 0.36 -0.05 0.00 0.71 0.00 0.00 52.55 53.57 2jbr s ASP 166 Cb 0.00 -2.27 0.16 0.00 1.01 0.00 0.00 42.92 41.82 2jbr s ASP 166 CO 0.00 -0.32 0.45 -0.31 0.21 0.00 0.00 175.17 175.20 2jbr s TYR 167 N 2.30 3.48 0.90 4.23 2.02 0.13 -4.84 117.35 125.56 2jbr s TYR 167 Ca 0.20 -2.51 -0.12 0.00 -0.37 0.00 0.00 57.07 54.26 2jbr s TYR 167 Cb -0.16 -3.31 0.13 0.00 -0.40 0.00 0.00 41.96 38.22 2jbr s TYR 167 CO 0.10 -0.89 1.12 0.20 -1.57 0.00 0.00 175.55 174.51 2jbr s GLY 168 N 1.19 1.59 -1.16 0.71 0.00 -1.26 -0.10 107.32 108.29 2jbr s GLY 168 Ca 0.15 -0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.29 2jbr s GLY 168 CO -0.04 0.11 0.78 0.79 0.00 0.00 0.00 173.10 174.74 2jbr n TRP 169 N -3.74 -1.96 -3.35 1.90 8.01 -1.21 -4.72 117.44 112.37 2jbr n TRP 169 Ca 0.06 0.55 -0.46 0.00 -1.31 0.00 0.00 57.50 56.35 2jbr n TRP 169 Cb 0.58 -3.62 -0.02 0.00 -2.01 0.00 0.00 31.31 26.24 2jbr n TRP 169 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2jbr s SER 170 N -3.59 6.87 0.27 -0.99 0.15 -0.12 -4.75 113.70 111.54 2jbr s SER 170 Ca 0.41 -3.01 -0.31 0.00 0.70 0.00 0.00 55.95 53.74 2jbr s SER 170 Cb -0.13 -2.19 -0.12 0.00 -1.71 0.00 0.00 66.02 61.87 2jbr s SER 170 CO 0.84 -0.47 1.60 -1.20 1.20 0.00 0.00 173.24 175.22 2jbr n SER 171 N 3.51 3.74 -0.15 5.45 7.64 -1.26 -2.19 113.62 130.37 2jbr n SER 171 Ca 0.17 1.13 -0.02 0.00 1.01 0.00 0.00 58.87 61.16 2jbr n SER 171 Cb 0.44 -1.57 -0.01 0.00 -1.01 0.00 0.00 64.21 62.07 2jbr n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jbr n GLY 172 N 2.58 0.49 0.25 0.23 0.00 -0.06 -4.60 105.19 104.08 2jbr n GLY 172 Ca 0.11 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.00 2jbr n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbr h ASP 174 N 0.11 0.00 -0.02 0.00 3.32 -1.85 -3.02 116.42 114.95 2jbr h ASP 174 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2jbr h ASP 174 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2jbr h ASP 174 CO 0.01 0.03 -0.01 1.41 -1.72 0.00 0.00 179.24 178.96 2jbr n HIS 175 N -3.32 0.00 -3.82 4.55 8.25 -0.54 -5.00 115.22 115.35 2jbr n HIS 175 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 2jbr n HIS 175 Cb 0.16 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 2jbr n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jbr s ALA 176 N -1.19 3.92 -0.59 -1.41 0.00 -1.14 -4.84 121.76 116.51 2jbr s ALA 176 Ca 0.16 -0.75 0.23 0.00 0.00 0.00 0.00 51.96 51.59 2jbr s ALA 176 Cb 0.12 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2jbr s ALA 176 CO 0.18 0.73 0.96 0.39 0.00 0.00 0.00 175.76 178.02 2jbr n GLU 177 N 0.10 0.30 -4.14 0.00 4.71 -0.48 -4.87 120.64 116.26 2jbr n GLU 177 Ca -0.04 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.16 56.99 2jbr n GLU 177 Cb 0.52 -1.58 -0.10 0.00 -1.01 0.00 0.00 31.44 29.27 2jbr n GLU 177 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2jbr s TYR 178 N -3.21 0.83 -0.01 -0.32 2.02 -0.99 -0.85 117.35 114.81 2jbr s TYR 178 Ca 0.03 -1.21 0.03 0.00 -0.37 0.00 0.00 57.07 55.55 2jbr s TYR 178 Cb 0.14 -0.47 -0.01 0.00 -0.40 0.00 0.00 41.96 41.23 2jbr s TYR 178 CO 0.82 -0.50 -0.11 0.00 -1.57 0.00 0.00 175.55 174.19 2jbr s ALA 179 N -4.03 0.92 -0.20 3.71 0.00 -0.20 -1.12 121.76 120.85 2jbr s ALA 179 Ca 0.22 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2jbr s ALA 179 Cb 0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2jbr s ALA 179 CO 0.00 0.21 0.24 0.42 0.00 0.00 0.00 175.76 176.63 2jbr s ILE 180 N -0.14 5.32 -0.05 0.00 1.01 0.75 -1.45 121.20 126.64 2jbr s ILE 180 Ca 0.02 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.11 2jbr s ILE 180 Cb -0.05 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 2jbr s ILE 180 CO -0.00 0.36 -0.17 -0.69 0.00 0.00 0.00 174.94 174.45 2jbr s VAL 181 N 0.75 1.42 -0.09 2.92 1.01 -0.16 -1.33 120.40 124.91 2jbr s VAL 181 Ca 0.13 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2jbr s VAL 181 Cb -0.13 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2jbr s VAL 181 CO 0.03 0.41 0.22 -0.83 0.00 0.00 0.00 175.10 174.94 2jbr s GLY 182 N 0.16 2.26 0.10 4.51 0.00 -0.82 -0.90 107.32 112.62 2jbr s GLY 182 Ca -0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 44.72 43.95 2jbr s GLY 182 CO 0.03 -0.19 0.49 -0.11 0.00 0.00 0.00 173.10 173.31 2jbr s PHE 183 N -0.98 -0.36 -0.21 1.90 -0.12 -0.50 -4.00 117.98 113.71 2jbr s PHE 183 Ca 0.18 0.21 -0.13 0.00 -0.05 0.00 0.00 56.93 57.14 2jbr s PHE 183 Cb -0.13 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 2jbr s PHE 183 CO 0.07 -0.71 0.25 -0.80 -0.05 0.00 0.00 175.22 173.98 2jbr s ASN 184 N -2.45 6.28 0.57 1.98 0.02 -1.26 -0.62 114.94 119.46 2jbr s ASN 184 Ca -0.01 0.32 0.07 0.00 -1.02 0.00 0.00 52.86 52.22 2jbr s ASN 184 Cb 0.00 -2.16 0.07 0.00 0.02 0.00 0.00 41.25 39.19 2jbr s ASN 184 CO -0.08 0.04 0.60 -0.13 0.02 0.00 0.00 177.10 177.55 2jbr s ARG 185 N 0.95 2.24 -0.00 -0.60 0.52 -0.32 -4.78 118.95 116.95 2jbr s ARG 185 Ca 0.13 -1.89 0.02 0.00 -0.52 0.00 0.00 55.73 53.47 2jbr s ARG 185 Cb -0.13 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 2jbr s ARG 185 CO 0.05 -0.78 -0.08 -0.06 0.02 0.00 0.00 175.30 174.44 2jbr s PHE 186 N -2.75 0.72 0.68 -0.53 2.99 -1.26 0.27 117.98 118.09 2jbr s PHE 186 Ca 0.46 -0.14 -0.11 0.00 0.00 0.00 0.00 56.93 57.14 2jbr s PHE 186 Cb -0.04 -0.46 0.17 0.00 0.00 0.00 0.00 43.02 42.69 2jbr s PHE 186 CO 0.29 -0.01 0.38 -0.25 -0.00 0.00 0.00 175.22 175.63 2jbr n ASP 187 N 2.85 -2.84 -0.25 1.36 8.00 0.39 -4.88 116.55 121.19 2jbr n ASP 187 Ca -0.13 -0.38 0.01 0.00 0.71 0.00 0.00 54.79 54.99 2jbr n ASP 187 Cb 0.57 -0.46 0.05 0.00 -0.02 0.00 0.00 41.12 41.26 2jbr n ASP 187 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jbr n ALA 188 N -4.06 0.00 1.03 2.24 0.00 -1.26 -4.34 120.51 114.13 2jbr n ALA 188 Ca -0.09 0.68 0.11 0.00 0.00 0.00 0.00 53.44 54.14 2jbr n ALA 188 Cb 0.26 -0.34 0.05 0.00 0.00 0.00 0.00 19.45 19.42 2jbr n ALA 188 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jbr n ASP 189 N -5.00 2.02 0.00 0.00 8.00 -1.26 -4.89 116.55 115.42 2jbr n ASP 189 Ca 0.08 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.08 2jbr n ASP 189 Cb 0.28 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 2jbr n ASP 189 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jbr n GLY 190 N 1.40 0.75 3.84 0.44 0.00 -1.26 -5.07 105.19 105.29 2jbr n GLY 190 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2jbr n GLY 190 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jbr s ASN 191 N -2.35 6.01 0.04 1.61 0.01 -1.26 -4.68 114.94 114.31 2jbr s ASN 191 Ca 0.00 1.57 -0.22 0.00 -0.71 0.00 0.00 52.86 53.50 2jbr s ASN 191 Cb 0.00 -2.49 -0.06 0.00 0.41 0.00 0.00 41.25 39.11 2jbr s ASN 191 CO 0.00 -1.02 0.66 -0.54 -1.51 0.00 0.00 177.10 174.69 2jbr s LYS 192 N -4.75 4.38 -0.43 -0.60 1.02 -1.26 -0.46 119.74 117.63 2jbr s LYS 192 Ca 0.58 0.88 0.02 0.00 0.02 0.00 0.00 55.97 57.46 2jbr s LYS 192 Cb -0.12 -3.32 0.12 0.00 -0.52 0.00 0.00 37.83 33.98 2jbr s LYS 192 CO 0.47 0.42 0.18 0.42 -0.92 0.00 0.00 175.35 175.92 2jbr s ILE 193 N -0.43 2.76 -0.06 2.17 -1.09 0.78 -4.90 121.20 120.44 2jbr s ILE 193 Ca 0.33 -2.60 -0.30 0.00 -2.23 0.00 0.00 60.65 55.86 2jbr s ILE 193 Cb -0.20 -2.94 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 2jbr s ILE 193 CO 0.20 -0.70 1.61 -0.47 -1.23 0.00 0.00 174.94 174.34 2jbr s TYR 194 N 0.54 2.10 0.12 3.97 5.04 -1.26 -1.18 117.35 126.67 2jbr s TYR 194 Ca 0.13 0.29 0.04 0.00 -2.44 0.00 0.00 57.07 55.09 2jbr s TYR 194 Cb -0.22 -3.87 -0.04 0.00 0.35 0.00 0.00 41.96 38.19 2jbr s TYR 194 CO -0.05 -3.59 -0.10 -1.12 -1.34 0.00 0.00 175.55 169.35 2jbr s SER 195 N 3.15 1.58 -0.04 4.32 0.01 0.21 -1.07 113.70 121.86 2jbr s SER 195 Ca 0.71 -0.89 0.07 0.00 1.31 0.00 0.00 55.95 57.14 2jbr s SER 195 Cb -0.32 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 2jbr s SER 195 CO 0.28 -0.29 -0.23 -0.36 0.41 0.00 0.00 173.24 173.04 2jbr s PHE 196 N -2.81 2.43 -0.06 2.43 0.08 0.75 -1.41 117.98 119.39 2jbr s PHE 196 Ca 0.10 -0.47 0.05 0.00 0.12 0.00 0.00 56.93 56.73 2jbr s PHE 196 Cb -0.01 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.88 2jbr s PHE 196 CO 0.00 -0.05 -0.22 0.20 -0.10 0.00 0.00 175.22 175.04 2jbr s GLY 197 N -0.49 1.19 -0.26 4.36 0.00 -0.08 -1.07 107.32 110.97 2jbr s GLY 197 Ca 0.06 -0.93 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 2jbr s GLY 197 CO 0.01 -0.50 0.18 0.14 0.00 0.00 0.00 173.10 172.92 2jbr s VAL 198 N -0.01 5.32 0.05 1.40 1.01 -0.60 -0.99 120.40 126.57 2jbr s VAL 198 Ca -0.06 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.15 2jbr s VAL 198 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2jbr s VAL 198 CO 0.04 0.29 -0.19 0.27 0.00 0.00 0.00 175.10 175.51 2jbr s ILE 199 N 1.49 1.50 0.61 2.22 -4.36 -0.53 -4.92 121.20 117.21 2jbr s ILE 199 Ca 0.07 -1.17 -0.14 0.00 -0.26 0.00 0.00 60.65 59.15 2jbr s ILE 199 Cb -0.15 -1.32 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 2jbr s ILE 199 CO 0.08 0.12 1.04 -2.16 0.24 0.00 0.00 174.94 174.26 2jbr s PRO 200 N -1.24 3.35 0.47 0.37 0.04 -1.26 -1.03 135.00 135.70 2jbr s PRO 200 Ca 0.05 1.07 0.28 0.00 0.04 0.00 0.00 61.00 62.45 2jbr s PRO 200 Cb -0.09 -2.04 1.34 0.00 0.04 0.00 0.00 34.50 33.75 2jbr s PRO 200 CO 0.02 -0.77 1.78 -0.09 0.04 0.00 0.00 177.00 177.97 2jbr h ARG 201 N 0.19 0.18 0.00 4.56 9.65 -1.33 -0.03 114.38 127.60 2jbr h ARG 201 Ca -0.46 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2jbr h ARG 201 Cb 1.21 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2jbr h ARG 201 CO 0.58 0.12 0.00 0.66 2.80 0.00 0.00 179.97 184.13 2jbr h SER 202 N 0.19 0.00 0.31 -3.80 4.64 -1.92 -3.13 113.55 109.83 2jbr h SER 202 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2jbr h SER 202 Cb 1.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 2jbr h SER 202 CO -0.17 0.00 -0.28 0.47 -0.87 0.00 0.00 176.83 175.98 2jbr n ASP 203 N -2.40 0.86 -3.99 4.97 8.00 -0.02 -4.94 116.55 119.02 2jbr n ASP 203 Ca 0.02 -0.73 -0.08 0.00 0.71 0.00 0.00 54.79 54.71 2jbr n ASP 203 Cb 0.24 0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.37 2jbr n ASP 203 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2jbr s TYR 204 N -2.59 0.35 -0.15 1.24 -0.85 -1.18 -4.59 117.35 109.58 2jbr s TYR 204 Ca 0.22 -0.81 -0.06 0.00 -0.52 0.00 0.00 57.07 55.90 2jbr s TYR 204 Cb 0.19 -0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 2jbr s TYR 204 CO 0.55 -0.41 0.04 -2.00 -1.52 0.00 0.00 175.55 172.21 2jbr s GLU 205 N -3.55 3.68 -0.44 -3.49 2.12 -0.81 -4.92 118.70 111.28 2jbr s GLU 205 Ca 0.03 -0.36 -0.25 0.00 0.36 0.00 0.00 54.97 54.76 2jbr s GLU 205 Cb 0.05 -3.09 0.02 0.00 0.26 0.00 0.00 34.13 31.38 2jbr s GLU 205 CO -0.09 0.41 0.90 0.42 -0.54 0.00 0.00 175.26 176.36 2jbr s ILE 206 N -0.04 4.52 -0.22 -3.70 1.01 -1.26 0.01 121.20 121.52 2jbr s ILE 206 Ca 0.05 0.76 -0.17 0.00 0.00 0.00 0.00 60.65 61.29 2jbr s ILE 206 Cb -0.12 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2jbr s ILE 206 CO 0.01 -0.77 0.48 -0.69 0.00 0.00 0.00 174.94 173.97 2jbr s VAL 207 N 3.63 5.12 -1.04 2.92 1.01 0.23 -4.97 120.40 127.31 2jbr s VAL 207 Ca 0.36 0.84 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 2jbr s VAL 207 Cb -0.11 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.58 2jbr s VAL 207 CO 0.25 0.17 1.35 -0.62 0.00 0.00 0.00 175.10 176.24 2jbr s ASP 208 N 1.27 6.68 -0.11 3.32 -1.08 -1.26 -1.88 116.67 123.60 2jbr s ASP 208 Ca 0.21 -2.04 0.14 0.00 -0.52 0.00 0.00 52.55 50.34 2jbr s ASP 208 Cb -0.15 -2.47 0.35 0.00 -1.46 0.00 0.00 42.92 39.18 2jbr s ASP 208 CO 0.09 -1.17 1.25 -0.46 0.52 0.00 0.00 175.17 175.40 2jbr n ASN 209 N 7.38 3.01 -4.55 -0.34 6.94 -1.26 -4.96 115.26 121.47 2jbr n ASN 209 Ca 0.32 -2.71 -0.42 0.00 -0.02 0.00 0.00 54.58 51.74 2jbr n ASN 209 Cb 0.48 -0.38 -0.02 0.00 -2.36 0.00 0.00 39.78 37.51 2jbr n ASN 209 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 2jbr s TRP 210 N -2.26 2.71 -0.43 -2.53 -0.00 -1.26 -4.87 118.94 110.30 2jbr s TRP 210 Ca 0.30 -1.21 0.03 0.00 -0.00 0.00 0.00 56.10 55.21 2jbr s TRP 210 Cb 0.24 -4.67 0.12 0.00 -0.00 0.00 0.00 33.47 29.16 2jbr s TRP 210 CO 0.07 -1.84 0.19 0.71 -0.00 0.00 0.00 176.95 176.09 2jbr s TYR 211 N 4.39 2.60 0.32 5.86 2.02 -1.26 -4.99 117.35 126.29 2jbr s TYR 211 Ca 0.48 -2.65 0.05 0.00 -0.37 0.00 0.00 57.07 54.57 2jbr s TYR 211 Cb 0.01 -2.32 -0.06 0.00 -0.40 0.00 0.00 41.96 39.19 2jbr s TYR 211 CO -0.03 -0.81 0.02 0.00 -1.57 0.00 0.00 175.55 173.16 2jbr s ALA 212 N 0.43 2.46 -1.66 3.71 0.00 -1.26 -5.06 121.76 120.37 2jbr s ALA 212 Ca 0.15 -2.05 0.18 0.00 0.00 0.00 0.00 51.96 50.24 2jbr s ALA 212 Cb -0.23 0.48 0.49 0.00 0.00 0.00 0.00 23.12 23.85 2jbr s ALA 212 CO -0.05 -0.23 1.40 1.04 0.00 0.00 0.00 175.76 177.93 2jbr n GLN 213 N -0.70 2.67 -3.60 0.00 1.13 -1.26 -4.84 117.38 110.78 2jbr n GLN 213 Ca -0.03 -2.36 -0.11 0.00 -1.94 0.00 0.00 57.00 52.56 2jbr n GLN 213 Cb 0.66 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.53 2jbr n GLN 213 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jbr s ALA 214 N -1.06 -1.20 -1.12 -1.58 0.00 -1.26 -4.76 121.76 110.79 2jbr s ALA 214 Ca 0.38 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 2jbr s ALA 214 Cb 0.20 0.83 0.03 0.00 0.00 0.00 0.00 23.12 24.18 2jbr s ALA 214 CO 0.27 -0.77 0.07 0.44 0.00 0.00 0.00 175.76 175.77 2jbr n ILE 215 N -0.33 -0.58 -0.27 0.00 -5.35 -1.26 -4.79 119.36 106.78 2jbr n ILE 215 Ca -0.14 -0.29 -0.01 0.00 -0.27 0.00 0.00 62.75 62.04 2jbr n ILE 215 Cb 0.63 -0.64 0.17 0.00 -1.74 0.00 0.00 39.64 38.07 2jbr n ILE 215 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2jbr h LYS 216 N -0.89 1.10 0.00 6.28 1.57 -1.89 -1.50 116.57 121.25 2jbr h LYS 216 Ca -0.45 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2jbr h LYS 216 Cb 0.97 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2jbr h LYS 216 CO 0.52 0.78 0.00 -1.13 -0.57 0.00 0.00 179.45 179.04 2jbr n SER 217 N -4.37 0.00 0.24 0.86 3.41 -1.26 -3.16 113.62 109.35 2jbr n SER 217 Ca 0.09 -0.67 0.13 0.00 -0.26 0.00 0.00 58.87 58.16 2jbr n SER 217 Cb 0.07 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.50 2jbr n SER 217 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jbr h SER 218 N 0.00 0.00 -5.71 4.04 4.64 -1.37 -0.06 113.55 115.09 2jbr h SER 218 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2jbr h SER 218 Cb 0.00 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.25 2jbr h SER 218 CO 0.00 0.09 -0.77 0.61 -0.87 0.00 0.00 176.83 175.90 2jbr n GLY 219 N 0.33 -0.37 2.35 -0.77 0.00 -1.19 -0.88 105.19 104.66 2jbr n GLY 219 Ca 0.01 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2jbr n GLY 219 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jbr n SER 220 N -3.11 8.48 -4.53 1.61 7.64 -1.26 -3.59 113.62 118.86 2jbr n SER 220 Ca -0.26 -2.74 -0.29 0.00 1.01 0.00 0.00 58.87 56.59 2jbr n SER 220 Cb 0.66 -1.50 0.14 0.00 -1.01 0.00 0.00 64.21 62.51 2jbr n SER 220 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jbr s LYS 221 N 1.14 1.14 0.05 1.43 1.02 -1.24 -3.59 119.74 119.69 2jbr s LYS 221 Ca 0.65 -0.07 -0.07 0.00 0.02 0.00 0.00 55.97 56.50 2jbr s LYS 221 Cb 0.19 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 2jbr s LYS 221 CO -0.07 -2.13 0.32 1.41 -0.92 0.00 0.00 175.35 173.96 2jbr s MET 222 N -5.64 3.63 -0.25 1.68 -2.45 -0.79 -0.95 119.30 114.54 2jbr s MET 222 Ca 0.67 -0.02 -0.08 0.00 -1.25 0.00 0.00 55.69 55.02 2jbr s MET 222 Cb -0.09 -3.03 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 2jbr s MET 222 CO 0.52 0.60 0.09 -0.51 1.05 0.00 0.00 175.02 176.76 2jbr s LEU 223 N -1.94 3.56 -0.30 4.11 1.43 0.86 -0.60 118.68 125.80 2jbr s LEU 223 Ca 0.31 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.12 2jbr s LEU 223 Cb -0.13 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2jbr s LEU 223 CO 0.18 -0.02 0.30 -0.75 0.23 0.00 0.00 176.35 176.29 2jbr s LYS 224 N 1.53 3.82 -0.26 1.70 2.20 0.10 0.21 119.74 129.04 2jbr s LYS 224 Ca 0.06 -0.27 -0.05 0.00 -0.36 0.00 0.00 55.97 55.35 2jbr s LYS 224 Cb -0.15 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2jbr s LYS 224 CO 0.05 -0.33 0.02 -0.51 -0.36 0.00 0.00 175.35 174.22 2jbr s LEU 225 N 1.92 3.43 -0.26 5.43 1.02 -0.31 -1.93 118.68 127.99 2jbr s LEU 225 Ca 0.11 -0.60 -0.00 0.00 0.02 0.00 0.00 54.13 53.66 2jbr s LEU 225 Cb -0.16 -1.81 0.04 0.00 0.02 0.00 0.00 46.19 44.28 2jbr s LEU 225 CO 0.11 -0.12 -0.06 -0.69 0.02 0.00 0.00 176.35 175.61 2jbr s VAL 226 N 1.48 2.67 -1.36 -1.59 1.01 -1.26 -1.67 120.40 119.67 2jbr s VAL 226 Ca 0.03 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.55 2jbr s VAL 226 Cb -0.16 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2jbr s VAL 226 CO -0.00 0.07 0.39 0.59 0.00 0.00 0.00 175.10 176.15 2jbr n ASN 227 N 4.59 -1.82 -4.64 3.32 5.03 -1.21 -4.89 115.26 115.63 2jbr n ASN 227 Ca -0.15 -1.25 -0.42 0.00 0.87 0.00 0.00 54.58 53.63 2jbr n ASN 227 Cb 0.45 -1.88 -0.04 0.00 -1.02 0.00 0.00 39.78 37.29 2jbr n ASN 227 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jbr s VAL 228 N -3.91 4.78 -0.19 2.41 1.01 -0.42 -4.81 120.40 119.27 2jbr s VAL 228 Ca 0.25 1.66 -0.25 0.00 0.00 0.00 0.00 61.98 63.64 2jbr s VAL 228 Cb -0.13 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2jbr s VAL 228 CO 0.97 -0.13 0.83 0.12 0.00 0.00 0.00 175.10 176.89 2jbr s PHE 229 N 2.98 3.39 -0.26 5.22 2.19 -1.26 -0.31 117.98 129.93 2jbr s PHE 229 Ca 0.37 1.22 -0.02 0.00 0.33 0.00 0.00 56.93 58.84 2jbr s PHE 229 Cb -0.15 -3.02 0.03 0.00 -1.31 0.00 0.00 43.02 38.57 2jbr s PHE 229 CO 0.08 -0.28 -0.05 0.42 1.83 0.00 0.00 175.22 177.23 2jbr s ILE 230 N 2.31 2.91 0.55 3.12 1.01 -0.27 -5.00 121.20 125.83 2jbr s ILE 230 Ca 0.37 -1.11 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 2jbr s ILE 230 Cb -0.16 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2jbr s ILE 230 CO 0.11 0.12 1.15 -2.16 0.00 0.00 0.00 174.94 174.17 2jbr s PRO 231 N 1.31 3.26 0.35 2.79 0.04 -1.26 -1.40 135.00 140.08 2jbr s PRO 231 Ca -0.01 1.68 0.12 0.00 0.04 0.00 0.00 61.00 62.83 2jbr s PRO 231 Cb -0.17 -2.00 0.93 0.00 0.04 0.00 0.00 34.50 33.30 2jbr s PRO 231 CO -0.04 -0.94 1.78 1.49 0.04 0.00 0.00 177.00 179.34 2jbr h GLU 232 N 1.14 0.55 0.00 4.56 4.57 -1.48 -0.23 114.58 123.69 2jbr h GLU 232 Ca -0.50 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2jbr h GLU 232 Cb 1.27 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2jbr h GLU 232 CO 0.56 0.37 0.00 2.48 -1.18 0.00 0.00 179.01 181.24 2jbr n TYR 233 N -4.69 0.00 -0.76 0.92 0.18 -1.26 -1.82 117.16 109.73 2jbr n TYR 233 Ca 0.24 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.09 2jbr n TYR 233 Cb 0.70 -0.47 0.25 0.00 -0.38 0.00 0.00 39.34 39.45 2jbr n TYR 233 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2jbr n ARG 234 N -1.47 3.14 -4.87 -3.48 1.74 -0.10 -4.47 116.66 107.15 2jbr n ARG 234 Ca 0.04 -2.68 -0.31 0.00 -0.77 0.00 0.00 57.85 54.13 2jbr n ARG 234 Cb 0.17 -1.74 -0.17 0.00 -1.02 0.00 0.00 32.46 29.70 2jbr n ARG 234 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jbr s ILE 235 N -2.30 1.89 0.02 0.55 1.01 -0.75 -1.56 121.20 120.06 2jbr s ILE 235 Ca 0.39 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 60.21 2jbr s ILE 235 Cb 0.29 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2jbr s ILE 235 CO 0.12 0.52 -0.20 -0.44 0.00 0.00 0.00 174.94 174.95 2jbr s SER 236 N 0.62 2.34 0.20 3.58 0.01 -0.23 -4.97 113.70 115.25 2jbr s SER 236 Ca -0.13 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.38 2jbr s SER 236 Cb -0.17 -0.22 -0.08 0.00 0.21 0.00 0.00 66.02 65.77 2jbr s SER 236 CO 0.03 0.18 1.16 -0.54 0.41 0.00 0.00 173.24 174.49 2jbr s LYS 237 N -0.90 4.53 0.17 12.44 1.02 -1.26 -0.18 119.74 135.57 2jbr s LYS 237 Ca 0.07 1.83 -0.14 0.00 0.02 0.00 0.00 55.97 57.76 2jbr s LYS 237 Cb -0.08 -3.24 0.08 0.00 -0.52 0.00 0.00 37.83 34.07 2jbr s LYS 237 CO 0.01 -0.01 1.83 0.00 -0.92 0.00 0.00 175.35 176.26 2jbr h ALA 238 N 4.95 0.66 -0.60 5.17 0.00 -1.44 -2.69 119.26 125.32 2jbr h ALA 238 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2jbr h ALA 238 Cb 1.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2jbr h ALA 238 CO 0.73 0.06 0.33 -0.22 0.00 0.00 0.00 179.25 180.15 2jbr h LYS 239 N 0.66 0.82 -0.66 0.00 3.64 -1.93 -1.48 116.57 117.61 2jbr h LYS 239 Ca 0.20 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2jbr h LYS 239 Cb -0.03 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 2jbr h LYS 239 CO -0.07 0.60 0.32 -0.44 -2.27 0.00 0.00 179.45 177.59 2jbr h ASP 240 N 0.83 0.85 0.72 4.20 3.32 -1.84 -1.86 116.42 122.64 2jbr h ASP 240 Ca 0.21 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2jbr h ASP 240 Cb 0.02 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2jbr h ASP 240 CO -0.04 0.72 -0.15 0.23 -1.72 0.00 0.00 179.24 178.28 2jbr n MET 241 N -4.34 0.15 0.04 3.56 2.81 -0.73 -0.39 117.12 118.22 2jbr n MET 241 Ca 0.06 -0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 55.90 2jbr n MET 241 Cb 0.13 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.06 2jbr n MET 241 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2jbr h MET 242 N 0.10 0.00 -0.03 0.03 2.86 -0.78 -0.30 114.93 116.82 2jbr h MET 242 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jbr h MET 242 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2jbr h MET 242 CO 0.00 0.38 0.00 0.39 1.06 0.00 0.00 176.91 178.74 2jbr n GLU 243 N -2.98 2.70 -3.09 1.72 1.02 -0.75 -4.11 120.64 115.16 2jbr n GLU 243 Ca -0.09 -1.47 -0.13 0.00 -0.02 0.00 0.00 57.16 55.45 2jbr n GLU 243 Cb 0.86 -1.02 0.06 0.00 -0.02 0.00 0.00 31.44 31.32 2jbr n GLU 243 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jbr n GLY 244 N -0.38 -0.14 0.00 0.62 0.00 -0.75 -4.95 105.19 99.59 2jbr n GLY 244 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jbr n GLY 244 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jbr n LYS 245 N -3.37 0.72 -1.77 1.61 5.02 0.48 -4.93 118.16 115.92 2jbr n LYS 245 Ca -0.16 -0.70 -0.29 0.00 -2.02 0.00 0.00 58.31 55.14 2jbr n LYS 245 Cb 0.60 -0.74 0.13 0.00 -0.02 0.00 0.00 35.03 35.00 2jbr n LYS 245 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jbr s SER 246 N -0.30 3.76 0.50 4.39 1.04 -1.13 -4.92 113.70 117.03 2jbr s SER 246 Ca 0.00 0.71 0.16 0.00 0.48 0.00 0.00 55.95 57.30 2jbr s SER 246 Cb 0.00 -1.11 1.19 0.00 0.10 0.00 0.00 66.02 66.20 2jbr s SER 246 CO 0.00 -2.37 2.10 0.00 0.98 0.00 0.00 173.24 173.95 2jbr h ALA 247 N -1.38 1.89 -0.03 5.32 0.00 -1.86 -2.53 119.26 120.67 2jbr h ALA 247 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jbr h ALA 247 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jbr h ALA 247 CO 0.57 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2jbr n GLY 248 N -1.36 0.07 3.74 0.00 0.00 -0.37 -4.65 105.19 102.63 2jbr n GLY 248 Ca -0.03 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2jbr n GLY 248 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jbr s PHE 249 N -1.98 2.84 0.00 1.61 5.36 -0.96 -2.65 117.98 122.20 2jbr s PHE 249 Ca 0.37 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 2jbr s PHE 249 Cb 0.21 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 2jbr s PHE 249 CO 0.33 -3.50 0.00 0.41 -1.46 0.00 0.00 175.22 171.00 2jbr n GLY 250 N 2.48 0.88 0.24 13.12 0.00 -1.26 -4.92 105.19 115.73 2jbr n GLY 250 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2jbr n GLY 250 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jbr h LEU 251 N 0.00 0.39 -6.97 0.99 3.38 -1.87 -3.37 115.31 107.86 2jbr h LEU 251 Ca 0.00 -0.11 -0.62 0.00 0.09 0.00 0.00 57.88 57.24 2jbr h LEU 251 Cb 0.00 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 40.24 2jbr h LEU 251 CO 0.00 0.60 -0.67 -0.31 0.09 0.00 0.00 178.44 178.16 2jbr s TYR 252 N -4.59 2.93 -0.29 1.13 2.02 -1.26 -4.97 117.35 112.33 2jbr s TYR 252 Ca -0.06 -3.06 0.27 0.00 -0.37 0.00 0.00 57.07 53.85 2jbr s TYR 252 Cb 0.14 -2.31 1.12 0.00 -0.40 0.00 0.00 41.96 40.51 2jbr s TYR 252 CO 0.77 -0.64 1.80 -1.35 -1.57 0.00 0.00 175.55 174.57 2jbr h PRO 253 N 5.67 0.00 -0.02 -1.71 0.11 -2.01 -1.94 132.00 132.10 2jbr h PRO 253 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2jbr h PRO 253 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2jbr h PRO 253 CO 0.63 0.00 -0.18 -0.25 -0.21 0.00 0.00 178.00 177.99 2jbr n ASP 254 N -2.52 2.14 -4.74 -2.05 8.00 -1.26 -4.98 116.55 111.14 2jbr n ASP 254 Ca 0.02 -1.60 -0.41 0.00 0.71 0.00 0.00 54.79 53.50 2jbr n ASP 254 Cb 0.25 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 2jbr n ASP 254 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jbr s SER 255 N -2.22 6.86 0.00 -2.24 0.15 -0.73 -4.93 113.70 110.59 2jbr s SER 255 Ca 0.26 2.44 0.26 0.00 0.70 0.00 0.00 55.95 59.61 2jbr s SER 255 Cb 0.19 -2.61 0.82 0.00 -1.71 0.00 0.00 66.02 62.71 2jbr s SER 255 CO 0.42 -0.56 1.61 0.29 1.20 0.00 0.00 173.24 176.20 2jbr n LYS 256 N 2.63 1.83 0.00 5.44 5.02 -1.26 -4.52 118.16 127.31 2jbr n LYS 256 Ca 0.06 -1.22 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 2jbr n LYS 256 Cb 0.42 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2jbr n LYS 256 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2jbr n ILE 257 N 0.46 0.00 0.38 -0.18 -5.35 -1.26 -3.10 119.36 110.31 2jbr n ILE 257 Ca 0.18 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.77 2jbr n ILE 257 Cb 0.40 0.09 0.13 0.00 -1.74 0.00 0.00 39.64 38.52 2jbr n ILE 257 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2jbr h PHE 258 N 0.00 0.00 -1.31 4.28 0.04 -1.88 -3.39 116.94 114.68 2jbr h PHE 258 Ca 0.00 0.00 -0.75 0.00 2.80 0.00 0.00 57.97 60.02 2jbr h PHE 258 Cb 0.14 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.15 2jbr h PHE 258 CO 0.00 0.00 2.08 0.66 -0.60 0.00 0.00 178.31 180.45 2jbr n TYR 259 N -2.43 3.16 -3.54 -0.55 4.01 -1.26 -4.86 117.16 111.69 2jbr n TYR 259 Ca 0.02 -2.85 -0.10 0.00 -0.16 0.00 0.00 57.90 54.82 2jbr n TYR 259 Cb 0.49 -2.03 -0.04 0.00 -0.31 0.00 0.00 39.34 37.45 2jbr n TYR 259 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2jbr s THR 260 N 0.77 0.00 0.36 -0.72 -1.32 -1.26 -4.14 115.64 109.33 2jbr s THR 260 Ca 0.41 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.60 2jbr s THR 260 Cb 0.09 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.97 2jbr s THR 260 CO -0.00 0.00 1.49 -2.65 -2.21 0.00 0.00 174.62 171.24 2jbr n PRO 261 N 0.24 2.63 -0.17 7.08 -0.02 -1.26 -4.82 135.00 138.67 2jbr n PRO 261 Ca -0.10 0.92 -0.09 0.00 -2.02 0.00 0.00 63.50 62.21 2jbr n PRO 261 Cb 0.60 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2jbr n PRO 261 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2jbr h TYR 262 N 3.17 0.85 -0.49 6.00 -0.00 -1.33 -3.37 116.97 121.80 2jbr h TYR 262 Ca -0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 58.73 58.10 2jbr h TYR 262 Cb 1.24 -0.23 -0.02 0.00 0.00 0.00 0.00 36.73 37.72 2jbr h TYR 262 CO 0.53 0.78 0.25 -0.09 -0.00 0.00 0.00 178.16 179.63 2jbr h ARG 263 N 0.68 0.70 -0.43 0.10 2.43 -1.92 -1.23 114.38 114.71 2jbr h ARG 263 Ca 0.15 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 2jbr h ARG 263 Cb 0.38 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2jbr h ARG 263 CO 0.01 0.57 0.29 -1.35 -1.51 0.00 0.00 179.97 177.98 2jbr h PRO 264 N 0.65 0.23 0.04 0.20 0.11 -1.96 -1.07 132.00 130.20 2jbr h PRO 264 Ca 0.17 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 2jbr h PRO 264 Cb 0.09 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.16 2jbr h PRO 264 CO -0.02 0.16 -0.45 1.88 -0.21 0.00 0.00 178.00 179.35 2jbr h TYR 265 N 0.24 0.37 -0.70 0.65 -1.99 -1.57 -2.96 116.97 111.02 2jbr h TYR 265 Ca 0.19 -0.23 0.15 0.00 2.00 0.00 0.00 58.73 60.84 2jbr h TYR 265 Cb 0.46 -0.03 -0.12 0.00 2.00 0.00 0.00 36.73 39.04 2jbr h TYR 265 CO -0.00 1.10 0.00 0.35 -0.00 0.00 0.00 178.16 179.61 2jbr h PHE 266 N -0.46 -0.04 -0.61 4.88 3.57 -0.85 -2.67 116.94 120.76 2jbr h PHE 266 Ca -0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jbr h PHE 266 Cb 1.25 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.12 2jbr h PHE 266 CO 0.19 -0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.07 2jbr n ALA 267 N -2.88 2.40 0.29 2.41 0.00 -0.44 -4.45 120.51 117.83 2jbr n ALA 267 Ca 0.12 -1.18 0.17 0.00 0.00 0.00 0.00 53.44 52.55 2jbr n ALA 267 Cb 0.42 -0.92 0.82 0.00 0.00 0.00 0.00 19.45 19.77 2jbr n ALA 267 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jbr h SER 268 N 4.39 0.00 1.66 0.00 4.64 -1.29 -3.20 113.55 119.75 2jbr h SER 268 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2jbr h SER 268 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2jbr h SER 268 CO 0.00 0.04 -0.29 1.23 -0.87 0.00 0.00 176.83 176.94 2jbr h GLY 269 N 1.24 0.00 0.98 -0.77 0.00 -1.80 -3.25 103.07 99.47 2jbr h GLY 269 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jbr h GLY 269 CO 0.01 0.00 -0.01 0.74 0.00 0.00 0.00 176.54 177.27 2jbr h PHE 270 N 0.00 -0.03 -0.01 5.60 0.04 -1.90 -0.21 116.94 120.43 2jbr h PHE 270 Ca -0.00 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.61 2jbr h PHE 270 Cb 1.20 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.34 2jbr h PHE 270 CO 0.00 0.00 -0.71 0.66 -0.60 0.00 0.00 178.31 177.66 2jbr h SER 271 N -0.06 0.05 -0.31 2.17 4.64 -1.80 -2.39 113.55 115.85 2jbr h SER 271 Ca -0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2jbr h SER 271 Cb 0.05 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2jbr h SER 271 CO 0.01 0.74 0.17 0.00 -0.87 0.00 0.00 176.83 176.88 2jbr h ALA 272 N 1.26 0.40 -0.48 5.18 0.00 -1.55 -0.11 119.26 123.96 2jbr h ALA 272 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jbr h ALA 272 Cb 1.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2jbr h ALA 272 CO 0.10 -0.07 0.29 0.28 0.00 0.00 0.00 179.25 179.84 2jbr h VAL 273 N 0.39 1.05 -0.35 0.00 2.07 -0.97 -1.58 116.25 116.86 2jbr h VAL 273 Ca 0.11 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2jbr h VAL 273 Cb 0.06 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 2jbr h VAL 273 CO -0.02 0.10 0.13 -1.28 0.02 0.00 0.00 177.57 176.53 2jbr h SER 274 N 0.57 0.15 -0.78 0.57 0.87 -1.21 -0.77 113.55 112.96 2jbr h SER 274 Ca 0.19 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2jbr h SER 274 Cb 0.01 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 2jbr h SER 274 CO -0.08 0.13 0.46 0.25 -0.53 0.00 0.00 176.83 177.05 2jbr h LEU 275 N 0.29 0.94 -0.54 2.23 5.85 -0.80 -1.64 115.31 121.64 2jbr h LEU 275 Ca 0.16 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2jbr h LEU 275 Cb 0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2jbr h LEU 275 CO -0.15 0.74 -0.06 1.23 -0.34 0.00 0.00 178.44 179.86 2jbr h GLY 276 N 1.07 1.07 0.91 3.75 0.00 -0.86 -0.12 103.07 108.89 2jbr h GLY 276 Ca 0.28 -0.83 0.01 0.00 0.00 0.00 0.00 47.33 46.79 2jbr h GLY 276 CO -0.05 0.76 0.01 -2.22 0.00 0.00 0.00 176.54 175.05 2jbr h ILE 277 N 0.86 0.97 -0.64 2.60 2.04 -1.05 -1.71 117.51 120.58 2jbr h ILE 277 Ca 0.15 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 2jbr h ILE 277 Cb 0.61 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2jbr h ILE 277 CO 0.04 0.01 0.28 0.00 0.00 0.00 0.00 178.15 178.47 2jbr h ALA 278 N 1.06 0.83 -0.54 1.87 0.00 -1.05 0.33 119.26 121.75 2jbr h ALA 278 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2jbr h ALA 278 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jbr h ALA 278 CO -0.05 0.42 -0.01 0.93 0.00 0.00 0.00 179.25 180.54 2jbr h GLU 279 N 0.89 0.93 -0.40 0.00 5.08 -1.02 -2.37 114.58 117.69 2jbr h GLU 279 Ca 0.22 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2jbr h GLU 279 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jbr h GLU 279 CO -0.02 0.93 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.77 2jbr h ARG 280 N 0.86 0.74 -0.84 2.33 9.65 -0.91 -2.96 114.38 123.25 2jbr h ARG 280 Ca 0.16 -0.27 0.12 0.00 -1.10 0.00 0.00 59.98 58.88 2jbr h ARG 280 Cb 0.53 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.97 2jbr h ARG 280 CO 0.03 0.87 0.46 1.98 2.80 0.00 0.00 179.97 186.11 2jbr h MET 281 N 0.56 0.70 -0.22 0.20 4.05 -0.17 0.30 114.93 120.36 2jbr h MET 281 Ca 0.10 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2jbr h MET 281 Cb 0.57 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 2jbr h MET 281 CO 0.03 0.47 0.14 0.82 0.23 0.00 0.00 176.91 178.59 2jbr h ILE 282 N 0.73 1.08 -0.06 1.77 2.04 -1.39 0.74 117.51 122.41 2jbr h ILE 282 Ca 0.43 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 66.10 2jbr h ILE 282 Cb 0.50 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2jbr h ILE 282 CO -0.30 0.08 0.02 -0.33 0.00 0.00 0.00 178.15 177.62 2jbr h GLU 283 N 0.27 0.10 -0.69 2.37 4.39 -1.16 -1.24 114.58 118.62 2jbr h GLU 283 Ca 0.08 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2jbr h GLU 283 Cb 0.01 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2jbr h GLU 283 CO -0.02 0.25 0.45 0.00 -1.16 0.00 0.00 179.01 178.53 2jbr h ALA 284 N 0.84 0.89 -0.69 3.43 0.00 -0.36 -1.38 119.26 121.99 2jbr h ALA 284 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2jbr h ALA 284 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2jbr h ALA 284 CO -0.00 0.25 0.20 0.35 0.00 0.00 0.00 179.25 180.05 2jbr h PHE 285 N 0.89 1.12 -0.78 0.00 3.57 -0.76 -2.11 116.94 118.87 2jbr h PHE 285 Ca 0.27 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 2jbr h PHE 285 Cb -0.04 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.34 2jbr h PHE 285 CO -0.03 0.91 0.39 0.87 -2.23 0.00 0.00 178.31 178.21 2jbr h LYS 286 N 1.02 1.12 -0.24 1.11 1.57 -0.89 -0.90 116.57 119.36 2jbr h LYS 286 Ca 0.22 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2jbr h LYS 286 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2jbr h LYS 286 CO -0.00 0.87 0.13 0.93 -0.57 0.00 0.00 179.45 180.80 2jbr h GLU 287 N 1.10 0.34 -0.03 3.15 5.08 -1.04 -2.96 114.58 120.23 2jbr h GLU 287 Ca 0.27 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2jbr h GLU 287 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2jbr h GLU 287 CO -0.04 0.32 -0.48 0.87 -1.00 0.00 0.00 179.01 178.69 2jbr h LYS 288 N 0.28 0.06 -0.21 2.33 6.56 -1.28 -3.29 116.57 121.02 2jbr h LYS 288 Ca 0.09 -0.03 -0.16 0.00 -1.06 0.00 0.00 60.65 59.48 2jbr h LYS 288 Cb 0.08 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 2jbr h LYS 288 CO -0.01 0.53 -0.54 0.37 -2.06 0.00 0.00 179.45 177.74 2jbr h GLN 289 N 0.05 0.63 -0.86 3.15 5.75 -1.01 -3.31 115.11 119.51 2jbr h GLN 289 Ca -0.00 -0.39 0.20 0.00 -0.15 0.00 0.00 58.65 58.32 2jbr h GLN 289 Cb 0.87 0.04 -0.15 0.00 1.07 0.00 0.00 27.48 29.31 2jbr h GLN 289 CO 0.07 1.00 -0.03 0.00 -2.65 0.00 0.00 178.83 177.22 2jbr h ARG 290 N 0.48 0.06 -0.56 1.69 3.08 -1.59 -1.87 114.38 115.67 2jbr h ARG 290 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jbr h ARG 290 Cb 1.09 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2jbr h ARG 290 CO 0.11 0.04 0.00 0.27 -1.07 0.00 0.00 179.97 179.31 2jbr n ASN 291 N -5.43 3.57 -4.67 7.04 0.23 -1.25 -4.50 115.26 110.25 2jbr n ASN 291 Ca 0.17 -2.03 -0.45 0.00 -0.53 0.00 0.00 54.58 51.73 2jbr n ASN 291 Cb 0.56 -0.39 -0.04 0.00 -2.08 0.00 0.00 39.78 37.83 2jbr n ASN 291 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jbr n ARG 292 N 1.12 2.58 -4.72 -3.83 3.00 -0.70 -4.90 116.66 109.21 2jbr n ARG 292 Ca 0.19 0.94 -0.31 0.00 -0.00 0.00 0.00 57.85 58.67 2jbr n ARG 292 Cb 0.56 -2.86 -0.13 0.00 0.00 0.00 0.00 32.46 30.03 2jbr n ARG 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jbr s VAL 293 N 4.37 2.96 -0.06 5.15 -7.23 -1.26 -0.59 120.40 123.74 2jbr s VAL 293 Ca 0.91 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.78 2jbr s VAL 293 Cb -0.54 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2jbr s VAL 293 CO 0.46 0.42 1.33 -0.13 -0.31 0.00 0.00 175.10 176.88 2jbr s ARG 294 N -1.21 4.28 0.23 4.82 1.81 -0.41 -4.93 118.95 123.54 2jbr s ARG 294 Ca 0.14 1.83 -0.07 0.00 -1.72 0.00 0.00 55.73 55.91 2jbr s ARG 294 Cb -0.11 -3.66 0.21 0.00 -0.45 0.00 0.00 34.95 30.95 2jbr s ARG 294 CO 0.04 -0.60 1.84 0.00 -0.68 0.00 0.00 175.30 175.91 2jbr h ALA 295 N 7.98 1.15 -0.00 2.13 0.00 -1.97 0.15 119.26 128.70 2jbr h ALA 295 Ca -0.34 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 2jbr h ALA 295 Cb 1.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2jbr h ALA 295 CO 0.92 0.67 -0.78 1.88 0.00 0.00 0.00 179.25 181.93 2jbr h TYR 296 N 1.25 0.08 0.00 0.00 0.05 -1.99 -3.37 116.97 112.99 2jbr h TYR 296 Ca 0.31 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.05 2jbr h TYR 296 Cb 0.06 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2jbr h TYR 296 CO 0.01 0.81 -0.38 0.25 -1.05 0.00 0.00 178.16 177.81 2jbr n THR 297 N -3.65 0.00 -1.23 -2.88 -2.24 -1.21 -5.03 114.28 98.04 2jbr n THR 297 Ca -0.01 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.37 2jbr n THR 297 Cb 0.75 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 2jbr n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jbr n GLY 298 N 1.53 0.99 3.87 3.38 0.00 0.53 -5.01 105.19 110.48 2jbr n GLY 298 Ca 0.00 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 2jbr n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbr s ALA 299 N -2.27 3.86 -0.03 4.61 0.00 -1.25 -4.83 121.76 121.85 2jbr s ALA 299 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 2jbr s ALA 299 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 2jbr s ALA 299 CO 0.00 0.66 1.40 1.21 0.00 0.00 0.00 175.76 179.03 2jbr s ASN 300 N -1.33 6.85 0.00 0.00 3.84 -1.26 -1.29 114.94 121.75 2jbr s ASN 300 Ca 0.19 2.06 0.00 0.00 0.21 0.00 0.00 52.86 55.32 2jbr s ASN 300 Cb -0.12 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 2jbr s ASN 300 CO 0.09 -0.74 0.16 0.52 -2.79 0.00 0.00 177.10 174.35 2jbr n VAL 301 N 4.82 0.00 -0.22 -5.21 0.31 0.24 -4.82 118.33 113.45 2jbr n VAL 301 Ca 0.13 -0.18 0.13 0.00 -0.01 0.00 0.00 64.34 64.42 2jbr n VAL 301 Cb 0.44 1.59 0.43 0.00 -0.91 0.00 0.00 33.84 35.39 2jbr n VAL 301 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2jbr h GLY 302 N 0.00 0.98 -3.31 2.92 0.00 -1.58 -2.06 103.07 100.01 2jbr h GLY 302 Ca 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 47.33 46.88 2jbr h GLY 302 CO 0.00 0.08 0.23 1.04 0.00 0.00 0.00 176.54 177.89 2jbr n LEU 303 N -4.52 5.71 -4.77 3.11 4.77 -1.26 -4.67 117.00 115.37 2jbr n LEU 303 Ca 0.16 -3.27 -0.35 0.00 -0.03 0.00 0.00 56.01 52.52 2jbr n LEU 303 Cb 0.49 -0.72 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2jbr n LEU 303 CO 0.31 0.85 0.79 0.00 -1.33 0.00 0.00 177.39 178.01 2jbr s ALA 304 N -3.02 2.63 0.14 -1.18 0.00 -0.78 -4.86 121.76 114.71 2jbr s ALA 304 Ca 0.53 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 53.13 2jbr s ALA 304 Cb 0.43 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 20.21 2jbr s ALA 304 CO 0.12 -0.91 1.70 1.15 0.00 0.00 0.00 175.76 177.82 2jbr h THR 305 N 0.98 0.75 -0.86 0.00 2.02 -1.94 -2.24 112.91 111.63 2jbr h THR 305 Ca -0.50 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 66.77 2jbr h THR 305 Cb 1.27 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 68.31 2jbr h THR 305 CO 0.56 0.01 0.50 -0.65 0.37 0.00 0.00 175.52 176.30 2jbr h PRO 306 N 0.04 0.79 -0.38 6.66 0.11 -1.98 -1.62 132.00 135.62 2jbr h PRO 306 Ca 0.14 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 2jbr h PRO 306 Cb 0.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2jbr h PRO 306 CO -0.26 0.52 -0.24 0.00 -0.21 0.00 0.00 178.00 177.81 2jbr h ALA 307 N 1.47 0.85 -0.79 -0.75 0.00 -1.84 -2.22 119.26 115.99 2jbr h ALA 307 Ca 0.42 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2jbr h ALA 307 Cb 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2jbr h ALA 307 CO -0.26 0.64 0.33 -0.07 0.00 0.00 0.00 179.25 179.89 2jbr h LEU 308 N 0.68 1.08 -0.49 0.00 3.38 -0.82 -1.72 115.31 117.42 2jbr h LEU 308 Ca 0.09 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 2jbr h LEU 308 Cb 0.76 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jbr h LEU 308 CO 0.06 0.94 -0.57 0.24 0.09 0.00 0.00 178.44 179.21 2jbr h MET 309 N 1.14 0.57 -0.38 1.13 2.86 -1.21 -1.22 114.93 117.82 2jbr h MET 309 Ca 0.27 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2jbr h MET 309 Cb 0.19 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2jbr h MET 309 CO -0.02 0.98 0.12 0.00 1.06 0.00 0.00 176.91 179.04 2jbr h ARG 310 N 0.43 0.59 -0.46 1.72 3.08 -1.30 0.11 114.38 118.56 2jbr h ARG 310 Ca 0.00 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 59.97 2jbr h ARG 310 Cb 1.12 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2jbr h ARG 310 CO 0.11 0.60 0.22 0.82 -1.07 0.00 0.00 179.97 180.65 2jbr h ILE 311 N 0.46 0.96 -0.21 2.04 2.04 -1.19 -0.55 117.51 121.06 2jbr h ILE 311 Ca 0.12 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2jbr h ILE 311 Cb 0.26 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2jbr h ILE 311 CO -0.00 0.08 0.04 0.00 0.00 0.00 0.00 178.15 178.27 2jbr h ALA 312 N 1.25 0.28 -0.54 1.87 0.00 -1.09 -1.16 119.26 119.88 2jbr h ALA 312 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2jbr h ALA 312 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jbr h ALA 312 CO -0.15 -0.06 0.04 1.49 0.00 0.00 0.00 179.25 180.57 2jbr h GLU 313 N 0.15 0.92 -0.36 0.00 4.81 -0.79 0.97 114.58 120.28 2jbr h GLU 313 Ca 0.07 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 2jbr h GLU 313 Cb 0.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2jbr h GLU 313 CO 0.00 0.92 -0.09 0.77 -0.73 0.00 0.00 179.01 179.88 2jbr h SER 314 N 0.80 0.60 -0.02 1.04 0.02 -1.13 0.12 113.55 114.98 2jbr h SER 314 Ca 0.16 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jbr h SER 314 Cb 0.48 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2jbr h SER 314 CO 0.02 0.73 0.01 0.74 -1.14 0.00 0.00 176.83 177.19 2jbr h THR 315 N 0.57 1.06 -0.43 -2.27 2.02 -0.79 -1.59 112.91 111.49 2jbr h THR 315 Ca 0.11 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.13 2jbr h THR 315 Cb 0.50 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2jbr h THR 315 CO 0.03 0.05 0.24 0.45 0.37 0.00 0.00 175.52 176.66 2jbr h HIS 316 N -0.04 0.45 -0.41 3.16 -0.00 -0.59 -0.96 115.15 116.75 2jbr h HIS 316 Ca 0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2jbr h HIS 316 Cb 0.07 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 2jbr h HIS 316 CO -0.05 0.25 0.18 0.37 -0.00 0.00 0.00 177.93 178.68 2jbr h GLN 317 N 0.49 0.60 0.00 2.45 4.15 -0.69 -0.78 115.11 121.32 2jbr h GLN 317 Ca 0.17 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 2jbr h GLN 317 Cb 0.03 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2jbr h GLN 317 CO -0.09 0.54 -0.40 -0.39 -1.93 0.00 0.00 178.83 176.55 2jbr h VAL 318 N 0.52 0.79 -0.64 2.39 -1.51 -1.27 -1.60 116.25 114.93 2jbr h VAL 318 Ca 0.14 -1.79 -0.06 0.00 -1.23 0.00 0.00 66.70 63.77 2jbr h VAL 318 Cb 0.15 2.15 -0.03 0.00 -2.13 0.00 0.00 31.29 31.43 2jbr h VAL 318 CO -0.01 0.40 0.18 0.00 -1.23 0.00 0.00 177.57 176.90 2jbr h ALA 319 N 1.60 1.11 -0.12 5.19 0.00 -0.91 0.22 119.26 126.34 2jbr h ALA 319 Ca -0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2jbr h ALA 319 Cb 1.12 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jbr h ALA 319 CO 0.05 0.60 -0.66 0.00 0.00 0.00 0.00 179.25 179.24 2jbr h ALA 320 N 1.24 0.63 -0.39 0.00 0.00 -1.01 -0.36 119.26 119.37 2jbr h ALA 320 Ca 0.21 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2jbr h ALA 320 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jbr h ALA 320 CO -0.00 0.73 0.02 0.00 0.00 0.00 0.00 179.25 179.99 2jbr h ALA 321 N 0.94 0.53 -0.22 0.00 0.00 -1.07 -1.23 119.26 118.20 2jbr h ALA 321 Ca -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jbr h ALA 321 Cb 1.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2jbr h ALA 321 CO 0.12 0.28 0.14 -0.09 0.00 0.00 0.00 179.25 179.70 2jbr h ARG 322 N 0.51 0.30 -0.65 0.00 2.43 -0.50 -0.89 114.38 115.58 2jbr h ARG 322 Ca 0.11 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2jbr h ARG 322 Cb 0.44 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2jbr h ARG 322 CO 0.02 0.24 0.36 0.00 -1.51 0.00 0.00 179.97 179.08 2jbr h ALA 323 N 1.05 0.87 -0.45 2.80 0.00 -0.99 0.24 119.26 122.77 2jbr h ALA 323 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jbr h ALA 323 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2jbr h ALA 323 CO -0.02 0.05 0.13 1.25 0.00 0.00 0.00 179.25 180.66 2jbr h LEU 324 N 0.68 0.67 -0.47 0.00 5.85 -1.03 -1.84 115.31 119.17 2jbr h LEU 324 Ca 0.29 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2jbr h LEU 324 Cb 0.17 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2jbr h LEU 324 CO -0.17 0.72 0.12 -0.07 -0.34 0.00 0.00 178.44 178.69 2jbr h LEU 325 N 0.60 0.71 -0.65 2.25 3.38 -0.75 -1.58 115.31 119.26 2jbr h LEU 325 Ca 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2jbr h LEU 325 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2jbr h LEU 325 CO -0.00 0.75 0.35 -0.33 0.09 0.00 0.00 178.44 179.30 2jbr h GLU 326 N 0.63 0.91 -0.65 1.13 5.08 -0.48 0.16 114.58 121.35 2jbr h GLU 326 Ca 0.15 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2jbr h GLU 326 Cb 0.32 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2jbr h GLU 326 CO 0.00 0.69 0.27 -0.22 -1.00 0.00 0.00 179.01 178.74 2jbr h LYS 327 N 0.88 0.98 -0.41 2.33 3.64 -1.28 -1.27 116.57 121.44 2jbr h LYS 327 Ca 0.23 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2jbr h LYS 327 Cb 0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2jbr h LYS 327 CO -0.04 0.81 -0.01 1.15 -2.27 0.00 0.00 179.45 179.09 2jbr h THR 328 N 0.92 1.26 -0.68 1.00 2.02 -0.85 -1.75 112.91 114.82 2jbr h THR 328 Ca 0.22 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 2jbr h THR 328 Cb 0.20 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2jbr h THR 328 CO -0.02 0.36 0.24 -0.50 0.37 0.00 0.00 175.52 175.96 2jbr h TRP 329 N 0.57 1.06 -0.70 3.16 6.55 -0.60 -1.76 115.95 124.24 2jbr h TRP 329 Ca 0.12 -0.09 -0.03 0.00 0.95 0.00 0.00 58.89 59.84 2jbr h TRP 329 Cb 0.50 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.46 2jbr h TRP 329 CO 0.04 0.83 0.32 1.49 -1.05 0.00 0.00 178.44 180.07 2jbr h GLU 330 N 1.00 1.01 -0.79 0.49 4.57 -1.11 -0.31 114.58 119.45 2jbr h GLU 330 Ca 0.23 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2jbr h GLU 330 Cb 0.25 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 2jbr h GLU 330 CO -0.01 0.81 0.52 0.22 -1.18 0.00 0.00 179.01 179.37 2jbr h ASP 331 N 0.97 0.91 -0.27 1.04 3.58 -0.92 -0.22 116.42 121.51 2jbr h ASP 331 Ca 0.24 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.67 2jbr h ASP 331 Cb 0.14 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2jbr h ASP 331 CO -0.03 0.66 0.17 0.45 -2.88 0.00 0.00 179.24 177.61 2jbr h HIS 332 N 1.07 0.32 -0.24 0.28 3.86 -1.01 -2.19 115.15 117.23 2jbr h HIS 332 Ca 0.29 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.51 2jbr h HIS 332 Cb -0.12 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 2jbr h HIS 332 CO -0.02 0.19 0.15 -0.09 0.86 0.00 0.00 177.93 179.03 2jbr h ARG 333 N 0.34 0.31 -0.44 2.45 2.43 -0.52 -1.31 114.38 117.64 2jbr h ARG 333 Ca 0.10 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2jbr h ARG 333 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2jbr h ARG 333 CO -0.03 0.20 0.29 0.82 -1.51 0.00 0.00 179.97 179.74 2jbr h ILE 334 N 0.32 1.11 -0.57 1.20 2.04 -1.06 -1.18 117.51 119.37 2jbr h ILE 334 Ca 0.09 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2jbr h ILE 334 Cb -0.03 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 2jbr h ILE 334 CO -0.03 0.11 0.33 0.45 0.00 0.00 0.00 178.15 179.01 2jbr h HIS 335 N 0.59 0.76 -0.52 1.37 3.86 -1.15 -2.48 115.15 117.58 2jbr h HIS 335 Ca 0.16 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 2jbr h HIS 335 Cb -0.06 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 2jbr h HIS 335 CO -0.05 0.54 -0.04 0.78 0.86 0.00 0.00 177.93 180.02 2jbr h GLY 336 N 0.76 0.99 0.81 2.45 0.00 -1.10 0.16 103.07 107.14 2jbr h GLY 336 Ca 0.20 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.85 2jbr h GLY 336 CO -0.04 0.66 0.36 1.41 0.00 0.00 0.00 176.54 178.94 2jbr h LEU 337 N 0.84 0.57 -0.64 3.11 3.38 -1.06 -2.71 115.31 118.80 2jbr h LEU 337 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jbr h LEU 337 Cb 0.55 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jbr h LEU 337 CO 0.03 0.39 0.00 0.59 0.09 0.00 0.00 178.44 179.54 2jbr n ASN 338 N -4.76 0.98 -2.88 -0.43 3.02 -0.95 -4.91 115.26 105.34 2jbr n ASN 338 Ca 0.06 -1.40 -0.21 0.00 -0.03 0.00 0.00 54.58 53.00 2jbr n ASN 338 Cb 0.11 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 2jbr n ASN 338 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jbr n HIS 339 N -0.20 -1.66 -3.63 3.10 8.25 -0.87 -4.95 115.22 115.26 2jbr n HIS 339 Ca 0.19 0.33 -0.38 0.00 -0.26 0.00 0.00 57.72 57.60 2jbr n HIS 339 Cb 0.25 -3.86 -0.11 0.00 1.12 0.00 0.00 29.99 27.39 2jbr n HIS 339 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2jbr s GLN 340 N -5.53 3.67 0.07 -0.41 0.74 0.49 -4.94 119.66 113.74 2jbr s GLN 340 Ca 0.22 -0.50 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 2jbr s GLN 340 Cb -0.10 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.36 2jbr s GLN 340 CO 0.27 -0.29 1.03 0.71 -0.55 0.00 0.00 175.29 176.46 2jbr s TYR 341 N 1.69 3.66 0.55 1.67 1.51 -1.26 -4.51 117.35 120.66 2jbr s TYR 341 Ca 0.06 1.65 -0.20 0.00 -1.01 0.00 0.00 57.07 57.57 2jbr s TYR 341 Cb -0.16 -3.17 -0.05 0.00 -0.11 0.00 0.00 41.96 38.46 2jbr s TYR 341 CO 0.08 -0.25 1.19 -1.25 -1.11 0.00 0.00 175.55 174.22 2jbr s PRO 342 N 0.53 3.26 1.08 -1.71 0.04 -1.26 -5.04 135.00 131.89 2jbr s PRO 342 Ca 0.51 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 2jbr s PRO 342 Cb -0.24 -2.08 0.24 0.00 0.04 0.00 0.00 34.50 32.46 2jbr s PRO 342 CO 0.30 -0.97 1.20 0.54 0.04 0.00 0.00 177.00 178.11 2jbr s ASN 343 N -1.53 2.02 0.20 6.66 6.03 -1.26 -4.80 114.94 122.26 2jbr s ASN 343 Ca 0.73 0.51 -0.11 0.00 -1.03 0.00 0.00 52.86 52.95 2jbr s ASN 343 Cb -0.29 -0.69 0.16 0.00 -3.03 0.00 0.00 41.25 37.40 2jbr s ASN 343 CO 0.33 -3.43 1.84 0.11 -2.03 0.00 0.00 177.10 173.92 2jbr h LYS 344 N -2.11 0.80 0.08 3.55 1.79 -1.99 -1.95 116.57 116.74 2jbr h LYS 344 Ca -0.45 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2jbr h LYS 344 Cb 1.27 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2jbr h LYS 344 CO 0.38 0.53 -0.04 1.49 -1.08 0.00 0.00 179.45 180.73 2jbr h GLU 345 N 0.82 -0.11 -0.20 3.15 4.81 -1.95 -1.85 114.58 119.25 2jbr h GLU 345 Ca 0.26 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 2jbr h GLU 345 Cb -0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2jbr h GLU 345 CO -0.10 0.04 -0.26 0.00 -0.73 0.00 0.00 179.01 177.96 2jbr h THR 346 N -0.24 1.26 -0.36 0.32 1.03 -1.92 -2.37 112.91 110.63 2jbr h THR 346 Ca -0.01 -1.23 0.02 0.00 -0.01 0.00 0.00 66.41 65.17 2jbr h THR 346 Cb 0.20 1.40 -0.02 0.00 -1.07 0.00 0.00 68.15 68.66 2jbr h THR 346 CO 0.02 0.38 0.21 0.25 -0.01 0.00 0.00 175.52 176.37 2jbr h LEU 347 N 0.33 0.34 -1.11 0.00 5.85 -1.27 0.16 115.31 119.62 2jbr h LEU 347 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jbr h LEU 347 Cb 0.64 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2jbr h LEU 347 CO 0.05 0.25 0.55 0.00 -0.34 0.00 0.00 178.44 178.95 2jbr h ALA 348 N 1.16 1.34 -0.27 1.25 0.00 -1.07 0.55 119.26 122.22 2jbr h ALA 348 Ca 0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2jbr h ALA 348 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2jbr h ALA 348 CO -0.07 0.59 -0.11 0.74 0.00 0.00 0.00 179.25 180.41 2jbr h PHE 349 N 1.18 0.63 -0.68 0.00 -1.00 -1.03 -2.17 116.94 113.87 2jbr h PHE 349 Ca 0.31 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 60.99 2jbr h PHE 349 Cb -0.10 -0.15 -0.05 0.00 3.61 0.00 0.00 35.95 39.27 2jbr h PHE 349 CO 0.00 0.78 0.40 -1.49 -1.61 0.00 0.00 178.31 176.40 2jbr h TRP 350 N 0.29 0.75 -0.78 -0.55 4.06 -0.34 0.17 115.95 119.55 2jbr h TRP 350 Ca 0.06 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 2jbr h TRP 350 Cb 0.60 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.49 2jbr h TRP 350 CO 0.06 0.40 0.33 -0.09 -3.56 0.00 0.00 178.44 175.57 2jbr h ARG 351 N 0.77 1.14 0.00 0.49 9.65 -0.88 -3.39 114.38 122.16 2jbr h ARG 351 Ca 0.29 -0.19 -0.24 0.00 -1.10 0.00 0.00 59.98 58.74 2jbr h ARG 351 Cb 0.10 -0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 28.44 2jbr h ARG 351 CO -0.14 0.91 -1.90 0.25 2.80 0.00 0.00 179.97 181.89 2jbr n THR 352 N -4.29 0.90 -0.29 0.20 -2.24 -0.82 -4.57 114.28 103.17 2jbr n THR 352 Ca 0.07 -0.56 0.04 0.00 -2.27 0.00 0.00 64.05 61.34 2jbr n THR 352 Cb 0.17 -0.65 0.19 0.00 -2.10 0.00 0.00 70.33 67.94 2jbr n THR 352 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2jbr h ASN 353 N 0.00 0.59 -0.33 3.42 2.35 -0.86 -1.13 115.58 119.61 2jbr h ASN 353 Ca -0.35 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 2jbr h ASN 353 Cb 1.81 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 40.12 2jbr h ASN 353 CO 0.02 0.30 0.20 0.06 -1.65 0.00 0.00 177.43 176.36 2jbr h GLN 354 N 0.70 0.48 -0.15 0.81 -0.00 -1.79 -0.84 115.11 114.31 2jbr h GLN 354 Ca 0.42 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.65 58.85 2jbr h GLN 354 Cb 0.48 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.48 27.85 2jbr h GLN 354 CO -0.30 0.35 -0.63 0.00 -0.00 0.00 0.00 178.83 178.25 2jbr h ALA 355 N 1.73 0.61 -0.46 0.06 0.00 -1.47 -1.39 119.26 118.35 2jbr h ALA 355 Ca 0.13 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2jbr h ALA 355 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jbr h ALA 355 CO -0.02 0.71 0.08 -0.92 0.00 0.00 0.00 179.25 179.10 2jbr h TYR 356 N 0.40 0.80 -0.67 0.00 3.20 -0.97 -1.97 116.97 117.78 2jbr h TYR 356 Ca -0.01 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.78 2jbr h TYR 356 Cb 1.20 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 2jbr h TYR 356 CO 0.05 0.75 0.42 0.00 -1.64 0.00 0.00 178.16 177.74 2jbr h ALA 357 N 0.95 0.87 -0.46 1.82 0.00 -1.07 -0.97 119.26 120.40 2jbr h ALA 357 Ca 0.14 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2jbr h ALA 357 Cb 0.38 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2jbr h ALA 357 CO 0.01 0.19 0.23 0.28 0.00 0.00 0.00 179.25 179.96 2jbr h VAL 358 N 0.82 0.97 -0.97 0.00 2.07 -1.16 -0.72 116.25 117.27 2jbr h VAL 358 Ca 0.27 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2jbr h VAL 358 Cb 0.01 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 2jbr h VAL 358 CO -0.10 0.09 0.63 0.50 0.02 0.00 0.00 177.57 178.71 2jbr h LYS 359 N 0.47 1.21 -0.44 1.57 3.64 -0.82 -0.78 116.57 121.41 2jbr h LYS 359 Ca 0.20 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2jbr h LYS 359 Cb 0.10 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2jbr h LYS 359 CO -0.14 0.80 -0.06 0.52 -2.27 0.00 0.00 179.45 178.31 2jbr h MET 360 N 1.25 0.82 -0.58 1.90 2.86 -0.85 -2.49 114.93 117.84 2jbr h MET 360 Ca 0.38 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 2jbr h MET 360 Cb -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2jbr h MET 360 CO -0.11 0.91 0.07 0.00 1.06 0.00 0.00 176.91 178.84 2jbr h ILE 362 N 0.89 1.27 -0.60 0.00 2.04 -1.15 -1.35 117.51 118.61 2jbr h ILE 362 Ca 0.18 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.56 2jbr h ILE 362 Cb 0.42 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2jbr h ILE 362 CO 0.01 0.51 0.35 -0.33 0.00 0.00 0.00 178.15 178.70 2jbr h GLU 363 N 0.80 0.67 -0.59 2.37 5.08 -1.26 0.53 114.58 122.18 2jbr h GLU 363 Ca 0.08 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2jbr h GLU 363 Cb 0.93 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2jbr h GLU 363 CO 0.09 0.44 -0.03 0.00 -1.00 0.00 0.00 179.01 178.51 2jbr h ALA 364 N 1.27 0.80 -0.48 3.43 0.00 -1.16 -0.48 119.26 122.65 2jbr h ALA 364 Ca 0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2jbr h ALA 364 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2jbr h ALA 364 CO -0.12 0.65 0.19 0.28 0.00 0.00 0.00 179.25 180.25 2jbr h VAL 365 N 0.95 1.21 -0.18 0.00 2.07 -1.08 -3.17 116.25 116.05 2jbr h VAL 365 Ca 0.16 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 2jbr h VAL 365 Cb 0.59 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2jbr h VAL 365 CO 0.04 0.24 -0.34 0.44 0.02 0.00 0.00 177.57 177.97 2jbr h ASP 366 N 0.63 0.38 -0.27 0.57 3.32 -0.65 -0.52 116.42 119.88 2jbr h ASP 366 Ca 0.16 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2jbr h ASP 366 Cb 0.20 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2jbr h ASP 366 CO -0.01 0.71 0.10 -0.09 -1.72 0.00 0.00 179.24 178.22 2jbr h ARG 367 N 0.32 0.49 0.17 3.56 2.43 -1.09 -1.31 114.38 118.95 2jbr h ARG 367 Ca 0.04 -0.07 -0.31 0.00 -0.81 0.00 0.00 59.98 58.83 2jbr h ARG 367 Cb 0.76 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2jbr h ARG 367 CO 0.06 0.44 -1.51 -0.07 -1.51 0.00 0.00 179.97 177.37 2jbr h LEU 368 N 0.48 0.55 -1.44 3.80 3.38 -1.44 -3.34 115.31 117.30 2jbr h LEU 368 Ca 0.12 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 57.21 2jbr h LEU 368 Cb 0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2jbr h LEU 368 CO -0.01 1.68 0.41 -0.03 0.09 0.00 0.00 178.44 180.59 2jbr h MET 369 N -0.08 0.71 0.00 1.13 4.05 -1.01 -1.60 114.93 118.13 2jbr h MET 369 Ca -0.30 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.07 2jbr h MET 369 Cb 1.94 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 32.58 2jbr h MET 369 CO 0.14 0.47 -0.03 0.00 0.23 0.00 0.00 176.91 177.73 2jbr h ALA 370 N 1.64 1.11 -0.28 0.39 0.00 -1.35 -2.50 119.26 118.27 2jbr h ALA 370 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jbr h ALA 370 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jbr h ALA 370 CO -0.07 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2jbr n ALA 371 N -2.15 2.26 0.52 0.00 0.00 -0.64 -4.69 120.51 115.81 2jbr n ALA 371 Ca -0.02 -1.01 0.12 0.00 0.00 0.00 0.00 53.44 52.53 2jbr n ALA 371 Cb 0.17 -0.44 0.17 0.00 0.00 0.00 0.00 19.45 19.35 2jbr n ALA 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jbr h ALA 372 N 2.18 0.62 0.00 0.00 0.00 -1.04 -3.50 119.26 117.51 2jbr h ALA 372 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jbr h ALA 372 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jbr h ALA 372 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jbr n GLY 373 N 1.31 -1.31 0.20 0.00 0.00 -1.26 -4.37 105.19 99.77 2jbr n GLY 373 Ca 0.03 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.49 2jbr n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbr h ALA 374 N 0.00 1.49 0.00 4.61 0.00 -1.97 -2.75 119.26 120.65 2jbr h ALA 374 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jbr h ALA 374 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jbr h ALA 374 CO 0.00 0.38 0.00 1.79 0.00 0.00 0.00 179.25 181.42 2jbr h THR 375 N 0.02 0.00 0.00 0.00 1.35 -1.99 -2.43 112.91 109.86 2jbr h THR 375 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2jbr h THR 375 Cb 0.53 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2jbr h THR 375 CO 0.04 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.11 2jbr n SER 376 N -2.99 0.55 -1.17 5.36 7.64 -1.04 -2.78 113.62 119.19 2jbr n SER 376 Ca -0.01 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.55 2jbr n SER 376 Cb 0.16 -0.70 0.24 0.00 -1.01 0.00 0.00 64.21 62.89 2jbr n SER 376 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jbr n PHE 377 N -2.02 0.56 -2.81 1.43 3.72 -0.91 -2.58 117.46 114.84 2jbr n PHE 377 Ca 0.06 -0.28 -0.34 0.00 -0.05 0.00 0.00 57.45 56.84 2jbr n PHE 377 Cb 0.37 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.85 2jbr n PHE 377 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jbr s MET 378 N -1.44 4.32 0.52 -1.08 -1.94 -1.12 -4.97 119.30 113.59 2jbr s MET 378 Ca 0.40 1.17 0.22 0.00 -1.71 0.00 0.00 55.69 55.77 2jbr s MET 378 Cb 0.23 -2.34 1.33 0.00 2.01 0.00 0.00 34.83 36.06 2jbr s MET 378 CO 0.32 0.05 2.03 -0.44 -0.01 0.00 0.00 175.02 176.97 2jbr h ASP 379 N 2.23 0.04 -0.01 3.03 5.19 -1.92 -1.68 116.42 123.30 2jbr h ASP 379 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2jbr h ASP 379 Cb 1.18 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2jbr h ASP 379 CO 0.62 0.02 0.00 -0.46 -3.12 0.00 0.00 179.24 176.30 2jbr n ASN 380 N -4.43 0.18 -4.73 6.45 6.94 -1.26 -4.78 115.26 113.64 2jbr n ASN 380 Ca 0.07 -1.37 -0.35 0.00 -0.02 0.00 0.00 54.58 52.90 2jbr n ASN 380 Cb 0.46 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.79 2jbr n ASN 380 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2jbr s SER 381 N -1.66 5.71 0.23 0.53 0.15 -0.63 -5.01 113.70 113.01 2jbr s SER 381 Ca 0.32 0.22 0.05 0.00 0.70 0.00 0.00 55.95 57.25 2jbr s SER 381 Cb 0.15 -1.81 0.21 0.00 -1.71 0.00 0.00 66.02 62.86 2jbr s SER 381 CO 0.25 0.32 1.53 -0.08 1.20 0.00 0.00 173.24 176.46 2jbr h GLU 382 N 5.58 0.17 -0.65 5.44 4.81 -1.86 -3.32 114.58 124.74 2jbr h GLU 382 Ca -0.48 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 58.72 2jbr h GLU 382 Cb 1.20 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 2jbr h GLU 382 CO 0.60 0.78 0.27 -0.07 -0.73 0.00 0.00 179.01 179.86 2jbr h LEU 383 N 0.12 0.29 -0.88 1.64 3.38 -1.94 -0.68 115.31 117.24 2jbr h LEU 383 Ca -0.01 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2jbr h LEU 383 Cb 1.20 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 2jbr h LEU 383 CO 0.10 0.16 0.52 -0.61 0.09 0.00 0.00 178.44 178.70 2jbr h GLN 384 N 0.46 0.83 -0.37 1.13 -0.00 -1.60 0.13 115.11 115.69 2jbr h GLN 384 Ca 0.33 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.65 58.81 2jbr h GLN 384 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 2jbr h GLN 384 CO -0.31 0.55 -0.24 -0.09 0.00 0.00 0.00 178.83 178.74 2jbr h ARG 385 N 0.86 0.82 -0.54 1.69 2.43 -1.32 -2.10 114.38 116.21 2jbr h ARG 385 Ca 0.43 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2jbr h ARG 385 Cb 0.40 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2jbr h ARG 385 CO -0.25 1.02 0.05 -0.07 -1.51 0.00 0.00 179.97 179.21 2jbr h LEU 386 N 0.62 0.90 0.17 3.80 3.38 -0.86 -1.32 115.31 122.00 2jbr h LEU 386 Ca 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jbr h LEU 386 Cb 0.80 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2jbr h LEU 386 CO 0.07 0.95 -0.13 0.15 0.09 0.00 0.00 178.44 179.56 2jbr h PHE 387 N 0.81 -0.35 -0.27 1.13 3.57 -0.72 -0.43 116.94 120.68 2jbr h PHE 387 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2jbr h PHE 387 Cb 0.46 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2jbr h PHE 387 CO 0.03 -0.21 0.08 0.00 -2.23 0.00 0.00 178.31 175.99 2jbr h ARG 388 N -0.32 0.41 -0.78 1.11 3.08 -1.33 -2.66 114.38 113.90 2jbr h ARG 388 Ca -0.01 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2jbr h ARG 388 Cb 0.28 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2jbr h ARG 388 CO -0.01 0.48 0.32 -0.44 -1.07 0.00 0.00 179.97 179.25 2jbr h ASP 389 N 0.27 1.07 -0.16 7.04 3.32 -1.24 -2.33 116.42 124.39 2jbr h ASP 389 Ca 0.09 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.01 2jbr h ASP 389 Cb 0.24 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2jbr h ASP 389 CO -0.00 0.94 -0.01 0.00 -1.72 0.00 0.00 179.24 178.45 2jbr h ALA 390 N 1.21 0.13 -0.57 3.45 0.00 -1.00 -2.57 119.26 119.91 2jbr h ALA 390 Ca 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2jbr h ALA 390 Cb 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2jbr h ALA 390 CO -0.02 -0.45 0.23 0.45 0.00 0.00 0.00 179.25 179.45 2jbr h HIS 391 N 0.04 0.82 -0.41 0.00 3.86 -1.25 -2.09 115.15 116.11 2jbr h HIS 391 Ca 0.07 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2jbr h HIS 391 Cb 0.10 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 2jbr h HIS 391 CO -0.16 0.63 0.22 1.98 0.86 0.00 0.00 177.93 181.46 2jbr h MET 392 N 0.81 0.56 0.00 2.45 -1.53 -1.24 -2.36 114.93 113.63 2jbr h MET 392 Ca 0.19 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.38 2jbr h MET 392 Cb 0.16 -0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 31.08 2jbr h MET 392 CO -0.02 0.42 -0.10 1.79 0.14 0.00 0.00 176.91 179.14 2jbr h THR 393 N 0.57 0.90 -0.02 -0.77 1.35 -0.97 -0.98 112.91 112.99 2jbr h THR 393 Ca 0.15 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2jbr h THR 393 Cb 0.02 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2jbr h THR 393 CO -0.02 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2jbr n GLY 394 N -1.12 -0.38 0.03 5.82 0.00 -0.89 -4.06 105.19 104.58 2jbr n GLY 394 Ca -0.03 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.75 2jbr n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbr n ALA 395 N -0.28 4.65 -1.78 4.61 0.00 -0.37 -4.34 120.51 122.99 2jbr n ALA 395 Ca 0.20 -0.59 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 2jbr n ALA 395 Cb 0.25 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2jbr n ALA 395 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2jbr s HIS 396 N -2.93 3.05 0.51 0.00 2.46 -1.24 -4.91 115.29 112.23 2jbr s HIS 396 Ca 0.09 1.59 0.21 0.00 0.47 0.00 0.00 55.06 57.42 2jbr s HIS 396 Cb 0.16 -3.20 1.31 0.00 -0.13 0.00 0.00 32.58 30.71 2jbr s HIS 396 CO 0.84 -1.01 2.03 0.00 -2.47 0.00 0.00 174.74 174.13 2jbr h ALA 397 N 2.07 2.30 0.00 1.58 0.00 -1.95 -1.31 119.26 121.95 2jbr h ALA 397 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2jbr h ALA 397 Cb 1.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jbr h ALA 397 CO 0.61 -0.41 -0.08 -0.92 0.00 0.00 0.00 179.25 178.45 2jbr h TYR 398 N 0.07 0.00 -0.02 0.00 3.20 -1.97 -3.30 116.97 114.95 2jbr h TYR 398 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2jbr h TYR 398 Cb 0.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2jbr h TYR 398 CO -0.00 0.06 -0.01 0.25 -1.64 0.00 0.00 178.16 176.82 2jbr n THR 399 N -3.11 0.00 -1.60 1.81 -2.24 -0.54 -4.81 114.28 103.80 2jbr n THR 399 Ca 0.04 -0.50 -0.49 0.00 -2.27 0.00 0.00 64.05 60.83 2jbr n THR 399 Cb 0.55 1.36 -0.05 0.00 -2.10 0.00 0.00 70.33 70.09 2jbr n THR 399 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jbr n ASP 400 N 0.96 2.97 0.12 3.42 -0.08 -0.91 -4.79 116.55 118.24 2jbr n ASP 400 Ca 0.10 0.68 0.00 0.00 -1.51 0.00 0.00 54.79 54.06 2jbr n ASP 400 Cb 0.43 -1.36 0.01 0.00 2.34 0.00 0.00 41.12 42.54 2jbr n ASP 400 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2jbr h TYR 401 N 11.09 0.00 -0.46 -0.67 3.20 -1.88 -2.45 116.97 125.80 2jbr h TYR 401 Ca -0.41 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.48 2jbr h TYR 401 Cb 1.28 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 2jbr h TYR 401 CO 0.91 0.62 0.27 -0.44 -1.64 0.00 0.00 178.16 177.88 2jbr h ASP 402 N 0.00 0.43 -0.15 -2.11 3.32 -1.99 0.24 116.42 116.16 2jbr h ASP 402 Ca -0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2jbr h ASP 402 Cb 1.45 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 2jbr h ASP 402 CO 0.08 0.31 0.08 0.58 -1.72 0.00 0.00 179.24 178.57 2jbr h VAL 403 N 0.54 1.12 -0.51 -1.35 2.07 -1.95 -2.78 116.25 113.39 2jbr h VAL 403 Ca 0.18 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 2jbr h VAL 403 Cb 0.02 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2jbr h VAL 403 CO -0.09 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.59 2jbr h ALA 405 N 1.16 1.23 -0.33 0.00 0.00 -0.53 -1.26 119.26 119.53 2jbr h ALA 405 Ca 0.15 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2jbr h ALA 405 Cb 0.51 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jbr h ALA 405 CO 0.03 0.60 -0.40 1.96 0.00 0.00 0.00 179.25 181.43 2jbr h GLN 406 N 1.07 0.86 0.35 0.00 4.20 -1.17 -0.68 115.11 119.74 2jbr h GLN 406 Ca 0.26 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 2jbr h GLN 406 Cb 0.09 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2jbr h GLN 406 CO -0.04 1.12 -0.18 0.82 -0.67 0.00 0.00 178.83 179.88 2jbr h ILE 407 N 0.65 0.63 -0.24 2.54 2.04 -0.99 -1.37 117.51 120.77 2jbr h ILE 407 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2jbr h ILE 407 Cb 0.99 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2jbr h ILE 407 CO 0.10 0.00 0.02 0.25 0.00 0.00 0.00 178.15 178.52 2jbr h LEU 408 N -0.49 0.39 -0.46 1.44 5.85 -1.29 -2.57 115.31 118.18 2jbr h LEU 408 Ca -0.05 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.48 2jbr h LEU 408 Cb 0.38 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2jbr h LEU 408 CO 0.07 0.58 0.03 1.23 -0.34 0.00 0.00 178.44 180.01 2jbr h GLY 409 N 0.20 0.50 1.00 3.75 0.00 -1.10 0.86 103.07 108.28 2jbr h GLY 409 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2jbr h GLY 409 CO 0.01 -0.10 0.35 3.21 0.00 0.00 0.00 176.54 180.00 2jbr h ARG 410 N 0.15 0.82 -0.29 4.80 3.08 -1.22 -2.27 114.38 119.44 2jbr h ARG 410 Ca 0.23 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2jbr h ARG 410 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2jbr h ARG 410 CO -0.36 0.60 0.11 1.49 -1.07 0.00 0.00 179.97 180.74 2jbr h GLU 411 N 0.81 0.44 0.00 0.04 4.57 -0.97 0.46 114.58 119.93 2jbr h GLU 411 Ca 0.21 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2jbr h GLU 411 Cb -0.00 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2jbr h GLU 411 CO -0.04 0.47 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.16 2jbr h LEU 412 N 0.32 0.00 -2.10 1.64 3.38 -0.72 -1.93 115.31 115.90 2jbr h LEU 412 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jbr h LEU 412 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jbr h LEU 412 CO -0.01 0.04 0.00 0.23 0.09 0.00 0.00 178.44 178.79 2jbr n MET 413 N -4.21 2.35 -1.57 1.13 2.81 -0.87 -4.95 117.12 111.82 2jbr n MET 413 Ca -0.03 -2.06 -0.08 0.00 -1.81 0.00 0.00 57.70 53.72 2jbr n MET 413 Cb 0.12 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.13 2jbr n MET 413 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jbr n GLY 414 N 1.44 0.66 3.90 3.03 0.00 -0.72 -5.02 105.19 108.47 2jbr n GLY 414 Ca 0.19 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 2jbr n GLY 414 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jbr s MET 415 N -3.31 3.65 0.44 1.61 -1.94 0.12 -5.02 119.30 114.85 2jbr s MET 415 Ca 0.00 0.13 -0.24 0.00 -1.71 0.00 0.00 55.69 53.87 2jbr s MET 415 Cb 0.00 -2.55 -0.08 0.00 2.01 0.00 0.00 34.83 34.22 2jbr s MET 415 CO 0.00 0.09 1.23 -1.21 -0.01 0.00 0.00 175.02 175.12 2jbr s GLU 416 N -3.82 3.80 0.49 2.03 0.41 -1.26 -4.44 118.70 115.91 2jbr s GLU 416 Ca 0.46 1.95 -0.23 0.00 -0.41 0.00 0.00 54.97 56.74 2jbr s GLU 416 Cb -0.10 -2.54 -0.08 0.00 -1.78 0.00 0.00 34.13 29.63 2jbr s GLU 416 CO 0.32 -0.57 1.12 -2.30 -0.49 0.00 0.00 175.26 173.35 2jbr n PRO 417 N -0.27 1.44 -2.79 0.39 -0.02 -1.26 -4.95 135.00 127.54 2jbr n PRO 417 Ca 0.06 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2jbr n PRO 417 Cb 0.46 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2jbr n PRO 417 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jbr s ASP 418 N -0.85 6.79 0.42 2.55 -1.08 -1.26 -4.93 116.67 118.32 2jbr s ASP 418 Ca 0.67 0.84 0.30 0.00 -0.52 0.00 0.00 52.55 53.84 2jbr s ASP 418 Cb -0.48 -2.48 1.29 0.00 -1.46 0.00 0.00 42.92 39.80 2jbr s ASP 418 CO 0.53 -0.76 1.88 1.55 0.52 0.00 0.00 175.17 178.90 2jbr h PRO 419 N 8.12 0.00 0.00 4.34 0.13 -2.05 -2.90 132.00 139.64 2jbr h PRO 419 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2jbr h PRO 419 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jbr h PRO 419 CO 0.96 0.00 0.00 1.15 -0.23 0.00 0.00 178.00 179.88 2jbr h THR 420 N 0.00 0.00 -4.06 1.56 2.02 -2.03 -3.43 112.91 106.96 2jbr h THR 420 Ca 0.00 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 2jbr h THR 420 Cb 0.36 0.91 -0.13 0.00 -1.74 0.00 0.00 68.15 67.55 2jbr h THR 420 CO 0.00 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.50 2jbr s MET 421 N -3.83 1.20 0.00 6.66 0.23 -1.10 -5.23 119.30 117.23 2jbr s MET 421 Ca -0.03 -1.31 0.00 0.00 -1.03 0.00 0.00 55.69 53.32 2jbr s MET 421 Cb 0.10 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 2jbr s MET 421 CO 0.36 -0.43 0.00 1.55 -2.03 0.00 0.00 175.02 174.47