#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 3.53 -0.11 2.89 1.43 -1.26 -5.11 118.68 120.06 2jbr s LEU 25 Ca 0.00 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2jbr s LEU 25 Cb 0.00 -3.25 -0.00 0.00 0.03 0.00 0.00 46.19 42.97 2jbr s LEU 25 CO 0.00 -0.80 -0.22 -0.69 0.23 0.00 0.00 176.35 174.86 2jbr s VAL 26 N -2.67 2.19 -0.13 -1.59 1.01 -1.26 -5.03 120.40 112.93 2jbr s VAL 26 Ca 0.50 -0.97 0.18 0.00 0.00 0.00 0.00 61.98 61.70 2jbr s VAL 26 Cb -0.10 -1.85 -0.21 0.00 0.00 0.00 0.00 36.38 34.21 2jbr s VAL 26 CO 0.40 0.55 0.53 -1.22 0.00 0.00 0.00 175.10 175.36 2jbr n TYR 27 N 3.56 0.47 0.96 5.22 4.01 -1.26 -4.57 117.16 125.56 2jbr n TYR 27 Ca -0.19 0.16 0.10 0.00 -0.16 0.00 0.00 57.90 57.81 2jbr n TYR 27 Cb 0.53 -0.92 -0.08 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 -3.77 -0.72 -2.24 -1.26 -4.46 114.28 99.13 2jbr n THR 28 Ca -0.15 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 2jbr n THR 28 Cb 0.86 1.09 0.01 0.00 -2.10 0.00 0.00 70.33 70.20 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 -0.95 -0.81 -2.68 4.78 1.44 -1.26 -4.94 115.22 110.80 2jbr n HIS 29 Ca 0.06 -0.64 -0.40 0.00 -2.01 0.00 0.00 57.72 54.73 2jbr n HIS 29 Cb 0.37 0.31 -0.05 0.00 0.12 0.00 0.00 29.99 30.73 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 -1.59 3.34 0.10 1.59 0.00 -1.26 -4.77 121.76 119.17 2jbr s ALA 30 Ca 0.14 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 2jbr s ALA 30 Cb -0.01 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2jbr s ALA 30 CO 0.02 0.09 1.24 -1.14 0.00 0.00 0.00 175.76 175.97 2jbr s GLN 31 N -1.05 4.42 0.11 0.00 0.74 -1.26 -5.01 119.66 117.61 2jbr s GLN 31 Ca 0.43 1.85 -0.31 0.00 0.05 0.00 0.00 55.36 57.38 2jbr s GLN 31 Cb -0.27 -3.31 -0.07 0.00 1.10 0.00 0.00 33.01 30.46 2jbr s GLN 31 CO 0.34 -0.26 1.28 0.95 -0.55 0.00 0.00 175.29 177.05 2jbr s THR 32 N 0.85 3.61 0.31 -0.34 -4.23 -1.26 -4.97 115.64 109.61 2jbr s THR 32 Ca 0.59 1.19 -0.30 0.00 -1.18 0.00 0.00 61.69 61.99 2jbr s THR 32 Cb -0.31 -3.76 -0.11 0.00 1.34 0.00 0.00 72.50 69.65 2jbr s THR 32 CO 0.31 0.11 1.59 -2.65 -0.54 0.00 0.00 174.62 173.44 2jbr n PRO 33 N 3.65 2.72 -1.16 3.99 -0.02 -1.26 -4.91 135.00 138.01 2jbr n PRO 33 Ca 0.09 0.96 -0.26 0.00 -2.02 0.00 0.00 63.50 62.27 2jbr n PRO 33 Cb 0.44 -2.74 0.05 0.00 -0.02 0.00 0.00 33.50 31.23 2jbr n PRO 33 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jbr n ASP 34 N 1.90 7.08 -3.20 2.55 -0.08 -1.26 -4.82 116.55 118.72 2jbr n ASP 34 Ca 0.07 -3.43 -0.19 0.00 -1.51 0.00 0.00 54.79 49.73 2jbr n ASP 34 Cb 0.37 -1.03 0.15 0.00 2.34 0.00 0.00 41.12 42.95 2jbr n ASP 34 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2jbr n VAL 35 N -0.23 0.00 -3.08 5.18 0.24 -1.26 -5.04 118.33 114.14 2jbr n VAL 35 Ca 0.47 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.34 61.90 2jbr n VAL 35 Cb 0.60 -1.43 -0.05 0.00 -1.47 0.00 0.00 33.84 31.49 2jbr n VAL 35 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2jbr s SER 36 N -3.78 6.99 0.00 -1.34 1.04 -1.26 -4.92 113.70 110.43 2jbr s SER 36 Ca 0.47 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.09 2jbr s SER 36 Cb -0.03 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2jbr s SER 36 CO 0.34 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2jbr n GLY 37 N 2.93 -1.90 3.64 7.32 0.00 -1.26 -4.82 105.19 111.10 2jbr n GLY 37 Ca -0.03 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2jbr n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jbr s VAL 38 N 0.00 4.70 0.73 1.61 -7.23 -1.26 -5.05 120.40 113.90 2jbr s VAL 38 Ca 0.00 1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 61.69 2jbr s VAL 38 Cb 0.00 -4.25 0.03 0.00 0.56 0.00 0.00 36.38 32.72 2jbr s VAL 38 CO 0.00 -0.25 1.09 -0.94 -0.31 0.00 0.00 175.10 174.69 2jbr s SER 39 N 1.46 4.81 0.28 4.85 1.04 -1.26 -4.90 113.70 119.98 2jbr s SER 39 Ca 0.39 1.82 0.01 0.00 0.48 0.00 0.00 55.95 58.65 2jbr s SER 39 Cb -0.14 -2.52 0.53 0.00 0.10 0.00 0.00 66.02 63.98 2jbr s SER 39 CO 0.10 -1.83 1.84 -0.03 0.98 0.00 0.00 173.24 174.31 2jbr h MET 40 N -0.78 0.99 -0.53 4.02 1.85 -1.96 -2.30 114.93 116.22 2jbr h MET 40 Ca -0.44 -0.06 0.02 0.00 -0.61 0.00 0.00 59.70 58.61 2jbr h MET 40 Cb 1.23 -0.22 -0.03 0.00 0.43 0.00 0.00 31.60 33.00 2jbr h MET 40 CO 0.53 0.66 0.32 1.25 -0.40 0.00 0.00 176.91 179.27 2jbr h LEU 41 N 1.02 0.53 -0.74 3.39 5.85 -1.92 0.21 115.31 123.65 2jbr h LEU 41 Ca 0.49 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 2jbr h LEU 41 Cb 0.44 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2jbr h LEU 41 CO -0.25 0.38 0.42 -0.33 -0.34 0.00 0.00 178.44 178.32 2jbr h GLU 42 N 0.65 1.03 -0.84 1.25 5.08 -1.82 -1.01 114.58 118.92 2jbr h GLU 42 Ca 0.21 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2jbr h GLU 42 Cb -0.01 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 2jbr h GLU 42 CO -0.08 0.76 0.38 0.87 -1.00 0.00 0.00 179.01 179.93 2jbr h LYS 43 N 1.02 1.22 -0.38 2.33 1.57 -0.91 -1.29 116.57 120.12 2jbr h LYS 43 Ca 0.26 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2jbr h LYS 43 Cb 0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2jbr h LYS 43 CO -0.04 0.96 0.23 0.82 -0.57 0.00 0.00 179.45 180.84 2jbr h ILE 44 N 1.20 1.05 -0.36 1.86 1.08 -0.66 -2.82 117.51 118.87 2jbr h ILE 44 Ca 0.28 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 2jbr h ILE 44 Cb 0.16 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 2jbr h ILE 44 CO -0.03 0.09 0.12 1.56 -0.69 0.00 0.00 178.15 179.19 2jbr h GLN 45 N 0.47 0.51 -0.59 2.37 4.20 -0.74 -0.83 115.11 120.49 2jbr h GLN 45 Ca 0.15 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 2jbr h GLN 45 Cb -0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2jbr h GLN 45 CO -0.06 0.45 -0.02 1.96 -0.67 0.00 0.00 178.83 180.48 2jbr h GLN 46 N 0.50 1.05 -0.00 1.46 4.20 -1.06 -3.16 115.11 118.10 2jbr h GLN 46 Ca 0.12 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2jbr h GLN 46 Cb 0.15 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2jbr h GLN 46 CO -0.01 1.04 -0.40 0.44 -0.67 0.00 0.00 178.83 179.23 2jbr n ILE 47 N -4.17 0.00 -0.21 2.54 -5.35 -0.99 -4.48 119.36 106.70 2jbr n ILE 47 Ca 0.03 -0.06 -0.03 0.00 -0.27 0.00 0.00 62.75 62.42 2jbr n ILE 47 Cb 0.36 0.33 0.08 0.00 -1.74 0.00 0.00 39.64 38.67 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 0.56 0.52 -1.42 7.28 5.85 -1.12 -2.02 115.31 124.96 2jbr h LEU 48 Ca 0.00 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.83 2jbr h LEU 48 Cb 0.50 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 2jbr h LEU 48 CO 0.00 0.35 0.48 -0.65 -0.34 0.00 0.00 178.44 178.27 2jbr h PRO 49 N 0.65 0.65 -0.33 5.25 0.11 -1.78 0.10 132.00 136.66 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 0.15 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2jbr h PRO 49 CO -0.16 0.43 0.02 1.96 -0.21 0.00 0.00 178.00 180.04 2jbr h GLN 50 N 0.67 0.56 -0.72 1.05 4.20 -1.69 -1.30 115.11 117.89 2jbr h GLN 50 Ca 0.33 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2jbr h GLN 50 Cb 0.40 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2jbr h GLN 50 CO -0.11 0.67 0.35 0.82 -0.67 0.00 0.00 178.83 179.89 2jbr h ILE 51 N 0.38 1.23 -0.71 2.54 1.08 -1.04 -2.35 117.51 118.64 2jbr h ILE 51 Ca 0.10 -0.65 -0.07 0.00 -0.39 0.00 0.00 64.86 63.84 2jbr h ILE 51 Cb 0.41 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 2jbr h ILE 51 CO 0.01 0.27 0.17 0.00 -0.69 0.00 0.00 178.15 177.91 2jbr h ALA 52 N 1.17 0.93 0.00 1.87 0.00 -0.70 -2.83 119.26 119.71 2jbr h ALA 52 Ca 0.25 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2jbr h ALA 52 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jbr h ALA 52 CO -0.03 0.66 -0.35 0.87 0.00 0.00 0.00 179.25 180.40 2jbr h LYS 53 N 1.07 0.00 0.00 0.00 1.79 -1.09 -2.91 116.57 115.44 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 0.35 -0.10 0.09 -1.08 0.00 0.00 179.45 178.71 2jbr n ASN 54 N -3.49 0.11 -0.19 0.86 3.02 -0.90 -4.37 115.26 110.30 2jbr n ASN 54 Ca -0.00 0.35 0.03 0.00 -0.03 0.00 0.00 54.58 54.92 2jbr n ASN 54 Cb 0.50 -0.35 0.29 0.00 -0.61 0.00 0.00 39.78 39.61 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 3.00 1.55 -0.23 5.41 0.00 -1.29 0.16 119.26 127.85 2jbr h ALA 55 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2jbr h ALA 55 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jbr h ALA 55 CO 0.00 0.39 -0.51 1.49 0.00 0.00 0.00 179.25 180.63 2jbr h GLU 56 N 0.91 0.75 0.00 0.00 4.81 -1.80 -1.48 114.58 117.76 2jbr h GLU 56 Ca 0.28 -0.50 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 2jbr h GLU 56 Cb 0.00 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2jbr h GLU 56 CO -0.07 1.12 -0.71 0.66 -0.73 0.00 0.00 179.01 179.27 2jbr h SER 57 N 0.48 0.00 -0.60 1.04 4.64 -1.77 -2.93 113.55 114.40 2jbr h SER 57 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2jbr h SER 57 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 2jbr h SER 57 CO 0.11 0.71 0.35 0.00 -0.87 0.00 0.00 176.83 177.14 2jbr h ALA 58 N 1.29 0.77 -0.67 5.18 0.00 -0.62 0.30 119.26 125.51 2jbr h ALA 58 Ca -0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jbr h ALA 58 Cb 1.35 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2jbr h ALA 58 CO 0.09 0.26 0.38 1.49 0.00 0.00 0.00 179.25 181.48 2jbr h GLU 59 N 0.82 0.70 0.00 0.00 4.57 -1.21 -2.05 114.58 117.40 2jbr h GLU 59 Ca 0.22 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.18 2jbr h GLU 59 Cb 0.00 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 2jbr h GLU 59 CO -0.04 0.46 -0.83 1.96 -1.18 0.00 0.00 179.01 179.38 2jbr h GLN 60 N 0.72 0.00 0.00 1.92 4.20 -1.31 -3.22 115.11 117.42 2jbr h GLN 60 Ca 0.29 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.92 2jbr h GLN 60 Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2jbr h GLN 60 CO -0.17 0.83 -0.41 1.25 -0.67 0.00 0.00 178.83 179.67 2jbr h LEU 61 N 0.00 0.00 2.46 1.46 5.85 -0.69 -3.47 115.31 120.91 2jbr h LEU 61 Ca -0.01 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.35 2jbr h LEU 61 Cb 1.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2jbr h LEU 61 CO 0.11 0.41 -0.47 0.54 -0.34 0.00 0.00 178.44 178.69 2jbr n ARG 62 N -3.71 -1.62 -3.65 1.25 1.74 -0.79 -4.97 116.66 104.91 2jbr n ARG 62 Ca -0.01 0.87 -0.06 0.00 -0.77 0.00 0.00 57.85 57.88 2jbr n ARG 62 Cb 0.49 -5.38 -0.02 0.00 -1.02 0.00 0.00 32.46 26.53 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 -4.94 1.07 0.05 5.56 1.70 -1.24 -3.34 118.95 117.81 2jbr s ARG 63 Ca 0.02 -0.52 -0.31 0.00 -0.47 0.00 0.00 55.73 54.45 2jbr s ARG 63 Cb -0.01 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.72 2jbr s ARG 63 CO 0.02 -0.48 1.39 0.08 -1.08 0.00 0.00 175.30 175.23 2jbr s VAL 64 N -3.25 3.57 0.46 4.99 1.01 -0.15 -4.71 120.40 122.32 2jbr s VAL 64 Ca 0.09 1.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.87 2jbr s VAL 64 Cb -0.01 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2jbr s VAL 64 CO -0.03 0.03 1.35 -2.65 0.00 0.00 0.00 175.10 173.81 2jbr n PRO 65 N 4.76 2.01 -0.33 2.72 -0.02 -1.26 -4.88 135.00 137.99 2jbr n PRO 65 Ca 0.12 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.43 2jbr n PRO 65 Cb 0.43 -2.51 0.32 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.04 0.78 -0.81 2.55 5.19 -2.00 -1.42 116.42 122.75 2jbr h ASP 66 Ca -0.50 0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.01 2jbr h ASP 66 Cb 1.29 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.66 2jbr h ASP 66 CO 0.60 0.36 0.52 -0.08 -3.12 0.00 0.00 179.24 177.51 2jbr h GLU 67 N 0.81 0.99 0.05 3.56 4.81 -1.99 -0.54 114.58 122.27 2jbr h GLU 67 Ca 0.52 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2jbr h GLU 67 Cb 0.74 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jbr h GLU 67 CO -0.29 0.65 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.70 2jbr h ASN 68 N 1.01 -0.08 -0.56 1.04 4.21 -1.63 -0.14 115.58 119.43 2jbr h ASN 68 Ca 0.32 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.86 2jbr h ASN 68 Cb 0.00 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.19 2jbr h ASN 68 CO -0.11 -0.05 0.35 0.40 -1.29 0.00 0.00 177.43 176.73 2jbr h ILE 69 N -0.08 1.09 -0.26 2.81 1.08 -1.29 -1.24 117.51 119.62 2jbr h ILE 69 Ca -0.00 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 2jbr h ILE 69 Cb 0.07 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 2jbr h ILE 69 CO 0.00 0.13 0.16 0.50 -0.69 0.00 0.00 178.15 178.25 2jbr h LYS 70 N 0.70 0.32 -0.47 2.37 3.64 -0.94 0.58 116.57 122.77 2jbr h LYS 70 Ca 0.22 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2jbr h LYS 70 Cb -0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2jbr h LYS 70 CO -0.08 0.21 0.16 -0.07 -2.27 0.00 0.00 179.45 177.40 2jbr h LEU 71 N 0.33 0.67 -0.54 5.20 3.38 -0.80 -0.49 115.31 123.06 2jbr h LEU 71 Ca 0.10 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 2jbr h LEU 71 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jbr h LEU 71 CO -0.04 0.69 -0.30 -0.07 0.09 0.00 0.00 178.44 178.81 2jbr h LEU 72 N 0.62 0.89 -0.66 1.67 3.38 -1.09 -2.56 115.31 117.57 2jbr h LEU 72 Ca 0.15 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 2jbr h LEU 72 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jbr h LEU 72 CO -0.01 1.12 -0.55 0.11 0.09 0.00 0.00 178.44 179.20 2jbr h LYS 73 N 0.72 0.34 -0.84 1.13 1.57 -0.85 -2.25 116.57 116.39 2jbr h LYS 73 Ca 0.08 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2jbr h LYS 73 Cb 0.86 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.15 2jbr h LYS 73 CO 0.08 0.80 0.45 1.49 -0.57 0.00 0.00 179.45 181.70 2jbr h GLU 74 N 0.26 1.19 0.00 3.15 4.81 -0.93 -1.46 114.58 121.60 2jbr h GLU 74 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2jbr h GLU 74 Cb 1.05 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2jbr h GLU 74 CO 0.09 0.88 0.00 0.44 -0.73 0.00 0.00 179.01 179.69 2jbr n ILE 75 N -4.37 0.54 -0.53 2.32 -5.35 -0.98 -4.94 119.36 106.04 2jbr n ILE 75 Ca 0.08 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2jbr n ILE 75 Cb 0.10 -0.65 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 1.16 0.67 0.29 3.28 0.00 -0.55 -4.99 105.19 105.05 2jbr n GLY 76 Ca 0.05 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.58 -2.93 0.99 5.85 -1.64 -2.63 115.31 115.52 2jbr h LEU 77 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2jbr h LEU 77 Cb 0.00 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2jbr h LEU 77 CO 0.00 0.59 0.01 1.12 -0.34 0.00 0.00 178.44 179.83 2jbr h HIS 78 N 0.61 0.00 -0.55 1.25 2.07 -1.89 -1.54 115.15 115.10 2jbr h HIS 78 Ca 0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 2jbr h HIS 78 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 2jbr h HIS 78 CO 0.01 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.41 2jbr n ARG 79 N -3.13 3.47 -0.16 5.12 1.74 -0.99 -4.53 116.66 118.18 2jbr n ARG 79 Ca -0.03 -2.47 -0.02 0.00 -0.77 0.00 0.00 57.85 54.56 2jbr n ARG 79 Cb 0.08 -1.85 0.06 0.00 -1.02 0.00 0.00 32.46 29.73 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 3.90 0.52 -0.26 7.54 0.00 -1.43 0.76 119.26 130.28 2jbr h ALA 80 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jbr h ALA 80 Cb 1.34 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2jbr h ALA 80 CO 0.23 -0.34 0.00 1.19 0.00 0.00 0.00 179.25 180.33 2jbr n PHE 81 N -5.16 0.46 -2.52 0.00 3.72 -1.26 -0.00 117.46 112.70 2jbr n PHE 81 Ca 0.05 -0.59 -0.41 0.00 -0.05 0.00 0.00 57.45 56.46 2jbr n PHE 81 Cb 0.25 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.41 4.62 0.47 -1.08 0.74 -1.16 -3.59 119.66 118.25 2jbr s GLN 82 Ca 0.23 1.73 -0.23 0.00 0.05 0.00 0.00 55.36 57.14 2jbr s GLN 82 Cb 0.15 -3.25 -0.09 0.00 1.10 0.00 0.00 33.01 30.92 2jbr s GLN 82 CO 0.11 0.14 1.13 -2.30 -0.55 0.00 0.00 175.29 173.82 2jbr n PRO 83 N 1.98 1.50 0.17 1.67 -0.02 -1.26 -3.48 135.00 135.56 2jbr n PRO 83 Ca 0.01 0.54 0.07 0.00 -2.02 0.00 0.00 63.50 62.11 2jbr n PRO 83 Cb 0.46 -2.24 0.58 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.52 0.17 -0.04 -0.52 1.57 -1.93 -1.65 116.57 115.69 2jbr h LYS 84 Ca -0.47 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 2jbr h LYS 84 Cb 1.32 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2jbr h LYS 84 CO 0.57 0.11 0.04 -0.39 -0.57 0.00 0.00 179.45 179.20 2jbr h VAL 85 N 0.17 0.82 -0.44 0.50 -1.51 -1.90 -0.89 116.25 113.00 2jbr h VAL 85 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 2jbr h VAL 85 Cb 0.02 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 2jbr h VAL 85 CO -0.01 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.11 2jbr n TYR 86 N -4.29 0.58 -0.27 5.19 4.01 -0.92 -4.90 117.16 116.54 2jbr n TYR 86 Ca -0.02 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2jbr n TYR 86 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.40 0.84 3.88 2.72 0.00 -0.34 -4.88 105.19 108.81 2jbr n GLY 87 Ca 0.19 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.18 1.61 -0.11 -0.02 0.00 -0.67 -4.96 107.32 100.99 2jbr s GLY 88 Ca 0.00 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.31 2jbr s GLY 88 CO 0.00 -0.05 0.39 1.04 0.00 0.00 0.00 173.10 174.49 2jbr n LEU 89 N -3.22 1.42 -3.71 0.66 4.77 0.25 -4.18 117.00 112.98 2jbr n LEU 89 Ca 0.07 0.23 -0.27 0.00 -0.03 0.00 0.00 56.01 56.02 2jbr n LEU 89 Cb 0.59 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2jbr n LEU 89 CO 0.57 0.59 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.50 2jbr n GLU 90 N -3.14 -2.45 -1.84 3.23 1.02 -0.64 -4.94 120.64 111.89 2jbr n GLU 90 Ca -0.27 0.51 -0.36 0.00 -0.02 0.00 0.00 57.16 57.02 2jbr n GLU 90 Cb 1.06 -4.54 0.05 0.00 -0.02 0.00 0.00 31.44 28.00 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 -5.98 2.71 0.66 3.49 -1.94 1.00 -4.93 119.30 114.31 2jbr s MET 91 Ca 0.28 1.90 -0.15 0.00 -1.71 0.00 0.00 55.69 56.01 2jbr s MET 91 Cb -0.09 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 34.86 2jbr s MET 91 CO 0.85 -1.43 1.11 -1.54 -0.01 0.00 0.00 175.02 174.00 2jbr s SER 92 N -1.59 5.12 0.16 3.03 1.04 -1.26 -4.86 113.70 115.33 2jbr s SER 92 Ca 0.79 1.97 -0.16 0.00 0.48 0.00 0.00 55.95 59.03 2jbr s SER 92 Cb -0.33 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.29 2jbr s SER 92 CO 0.37 -1.62 1.80 0.25 0.98 0.00 0.00 173.24 175.02 2jbr h LEU 93 N -0.01 0.37 -0.73 2.42 5.85 -1.95 -2.23 115.31 119.03 2jbr h LEU 93 Ca -0.47 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.34 2jbr h LEU 93 Cb 1.24 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 2jbr h LEU 93 CO 0.54 0.27 0.40 -0.65 -0.34 0.00 0.00 178.44 178.66 2jbr h PRO 94 N 0.47 0.68 -0.33 5.25 0.11 -1.94 0.53 132.00 136.76 2jbr h PRO 94 Ca 0.16 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 2jbr h PRO 94 Cb 0.01 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2jbr h PRO 94 CO -0.08 0.45 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.64 2jbr h ASP 95 N 0.70 0.65 -0.03 -2.05 3.32 -1.91 -1.91 116.42 115.19 2jbr h ASP 95 Ca 0.35 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2jbr h ASP 95 Cb 0.30 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2jbr h ASP 95 CO -0.23 0.87 0.01 0.15 -1.72 0.00 0.00 179.24 178.32 2jbr h PHE 96 N 0.42 0.06 -0.99 4.55 3.57 -1.24 -2.88 116.94 120.44 2jbr h PHE 96 Ca 0.08 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.64 2jbr h PHE 96 Cb 0.58 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 2jbr h PHE 96 CO 0.05 0.23 0.64 0.00 -2.23 0.00 0.00 178.31 177.00 2jbr h ALA 97 N 0.82 1.42 -0.15 2.41 0.00 -0.84 -0.82 119.26 122.10 2jbr h ALA 97 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2jbr h ALA 97 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jbr h ALA 97 CO -0.00 0.43 -0.09 -0.91 0.00 0.00 0.00 179.25 178.69 2jbr h ASN 98 N 1.16 0.21 -0.53 0.00 2.35 -1.33 -0.77 115.58 116.68 2jbr h ASN 98 Ca 0.43 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 56.02 2jbr h ASN 98 Cb 0.17 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2jbr h ASN 98 CO -0.17 0.33 -0.14 0.00 -1.65 0.00 0.00 177.43 175.81 2jbr h ILE 100 N 0.91 1.28 0.02 0.00 1.08 -1.03 -0.77 117.51 118.99 2jbr h ILE 100 Ca 0.13 -1.54 0.02 0.00 -0.39 0.00 0.00 64.86 63.08 2jbr h ILE 100 Cb 0.72 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 2jbr h ILE 100 CO 0.05 0.50 -0.13 0.58 -0.69 0.00 0.00 178.15 178.47 2jbr h VAL 101 N 0.62 0.69 -0.40 1.67 2.07 -1.09 -0.57 116.25 119.24 2jbr h VAL 101 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2jbr h VAL 101 Cb 0.92 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2jbr h VAL 101 CO 0.08 0.00 0.14 0.74 0.02 0.00 0.00 177.57 178.55 2jbr h THR 102 N -0.22 1.21 -0.73 2.57 2.02 -1.27 -2.83 112.91 113.65 2jbr h THR 102 Ca 0.04 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.58 2jbr h THR 102 Cb 0.27 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 2jbr h THR 102 CO -0.11 0.24 0.46 0.25 0.37 0.00 0.00 175.52 176.73 2jbr h LEU 103 N 0.50 0.76 -2.45 2.58 5.85 -1.05 -2.62 115.31 118.88 2jbr h LEU 103 Ca 0.13 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jbr h LEU 103 Cb 0.23 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2jbr h LEU 103 CO -0.01 0.52 -0.02 0.00 -0.34 0.00 0.00 178.44 178.60 2jbr h ALA 104 N 1.31 1.13 0.00 1.25 0.00 -0.86 -1.44 119.26 120.65 2jbr h ALA 104 Ca 0.30 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2jbr h ALA 104 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jbr h ALA 104 CO -0.11 0.03 -0.32 0.78 0.00 0.00 0.00 179.25 179.63 2jbr h GLY 105 N 0.52 0.00 0.24 0.00 0.00 -1.34 -3.25 103.07 99.24 2jbr h GLY 105 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 2jbr h GLY 105 CO 0.00 0.00 -1.51 0.00 0.00 0.00 0.00 176.54 175.03 2jbr h ALA 106 N 1.68 0.31 -1.42 3.60 0.00 -1.38 -3.47 119.26 118.58 2jbr h ALA 106 Ca -0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 54.91 53.62 2jbr h ALA 106 Cb 0.66 0.71 -0.25 0.00 0.00 0.00 0.00 17.79 18.91 2jbr h ALA 106 CO 0.04 0.91 -0.37 0.00 0.00 0.00 0.00 179.25 179.83 2jbr h ALA 108 N 8.09 0.47 -0.83 0.00 0.00 -1.81 -2.01 119.26 123.16 2jbr h ALA 108 Ca -0.21 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2jbr h ALA 108 Cb 1.16 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2jbr h ALA 108 CO 0.27 0.40 0.46 0.78 0.00 0.00 0.00 179.25 181.15 2jbr h GLY 109 N 0.48 1.25 0.92 0.00 0.00 -1.89 0.17 103.07 103.99 2jbr h GLY 109 Ca 0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2jbr h GLY 109 CO 0.05 0.54 -0.00 -0.84 0.00 0.00 0.00 176.54 176.29 2jbr h THR 110 N 1.16 1.05 -0.58 4.70 2.02 -1.73 -0.66 112.91 118.87 2jbr h THR 110 Ca 0.29 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2jbr h THR 110 Cb 0.03 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2jbr h THR 110 CO -0.05 0.05 0.38 0.00 0.37 0.00 0.00 175.52 176.27 2jbr h ALA 111 N 0.90 0.74 0.03 6.16 0.00 -1.09 0.17 119.26 126.18 2jbr h ALA 111 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jbr h ALA 111 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jbr h ALA 111 CO 0.00 0.19 -0.02 2.35 0.00 0.00 0.00 179.25 181.78 2jbr h TRP 112 N 0.79 -0.04 -0.29 0.00 2.91 -0.61 0.66 115.95 119.37 2jbr h TRP 112 Ca 0.21 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.19 2jbr h TRP 112 Cb -0.07 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 2jbr h TRP 112 CO -0.03 0.12 0.00 0.00 -1.03 0.00 0.00 178.44 177.51 2jbr h ALA 113 N 0.76 0.39 -0.21 2.65 0.00 -1.03 -3.01 119.26 118.80 2jbr h ALA 113 Ca -0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2jbr h ALA 113 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jbr h ALA 113 CO 0.01 0.12 -0.47 0.35 0.00 0.00 0.00 179.25 179.26 2jbr h PHE 114 N 0.29 0.67 -0.47 0.00 3.57 -0.65 -2.10 116.94 118.26 2jbr h PHE 114 Ca 0.08 -0.21 0.08 0.00 3.53 0.00 0.00 57.97 61.45 2jbr h PHE 114 Cb 0.42 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 2jbr h PHE 114 CO 0.03 0.92 0.07 1.03 -2.23 0.00 0.00 178.31 178.13 2jbr h SER 115 N 0.44 -0.06 -0.48 0.41 0.87 -0.88 -0.99 113.55 112.86 2jbr h SER 115 Ca 0.02 0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 2jbr h SER 115 Cb 0.99 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2jbr h SER 115 CO 0.09 0.00 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.32 2jbr h LEU 116 N 0.19 0.84 -1.67 2.23 3.38 -1.36 0.16 115.31 119.09 2jbr h LEU 116 Ca 0.24 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 58.00 2jbr h LEU 116 Cb 0.32 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2jbr h LEU 116 CO -0.33 0.95 0.40 -0.07 0.09 0.00 0.00 178.44 179.47 2jbr h LEU 117 N 0.72 0.34 0.00 1.67 3.38 -1.03 -1.32 115.31 119.07 2jbr h LEU 117 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2jbr h LEU 117 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jbr h LEU 117 CO 0.03 0.20 -0.08 0.00 0.09 0.00 0.00 178.44 178.67 2jbr h THR 119 N -0.76 0.37 -0.05 0.00 1.35 -0.37 -2.73 112.91 110.71 2jbr h THR 119 Ca -0.01 -0.83 -0.04 0.00 -0.55 0.00 0.00 66.41 64.98 2jbr h THR 119 Cb 0.91 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2jbr h THR 119 CO 0.02 0.13 -0.15 0.45 -0.25 0.00 0.00 175.52 175.71 2jbr h HIS 120 N 0.00 0.08 -0.24 4.73 -0.00 -1.40 -2.44 115.15 115.89 2jbr h HIS 120 Ca -0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 2jbr h HIS 120 Cb 0.61 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 2jbr h HIS 120 CO 0.00 0.24 -0.05 0.77 -0.00 0.00 0.00 177.93 178.89 2jbr h SER 121 N 0.08 0.34 -0.83 2.45 0.02 -1.65 -0.78 113.55 113.18 2jbr h SER 121 Ca 0.02 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2jbr h SER 121 Cb 0.32 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 2jbr h SER 121 CO 0.02 0.44 0.46 -0.74 -1.14 0.00 0.00 176.83 175.88 2jbr h HIS 122 N 0.35 1.13 0.12 3.45 6.17 -1.49 -1.81 115.15 123.07 2jbr h HIS 122 Ca 0.08 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 2jbr h HIS 122 Cb 0.32 -0.36 0.00 0.00 2.52 0.00 0.00 27.41 29.89 2jbr h HIS 122 CO 0.01 0.78 -0.06 0.37 0.71 0.00 0.00 177.93 179.74 2jbr h GLN 123 N 1.16 -0.16 -0.80 5.26 4.15 -1.42 -3.17 115.11 120.14 2jbr h GLN 123 Ca 0.29 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.92 2jbr h GLN 123 Cb 0.01 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 2jbr h GLN 123 CO -0.05 0.28 0.55 0.82 -1.93 0.00 0.00 178.83 178.50 2jbr h ILE 124 N -0.68 0.69 0.00 2.39 2.04 -1.10 0.15 117.51 121.00 2jbr h ILE 124 Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jbr h ILE 124 Cb 0.51 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2jbr h ILE 124 CO 0.03 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.22 2jbr n ALA 125 N -2.58 1.32 0.87 1.87 0.00 -0.69 -1.58 120.51 119.73 2jbr n ALA 125 Ca 0.16 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.69 2jbr n ALA 125 Cb 0.69 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.58 1.17 -1.74 0.00 2.81 0.52 -4.77 117.12 113.53 2jbr n MET 126 Ca 0.02 -0.49 -0.30 0.00 -1.81 0.00 0.00 57.70 55.12 2jbr n MET 126 Cb 0.09 -1.38 0.18 0.00 -0.71 0.00 0.00 33.22 31.40 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 -2.47 1.60 0.68 2.03 0.40 -0.61 -1.15 117.98 118.46 2jbr s PHE 127 Ca 0.12 0.44 -0.17 0.00 -0.60 0.00 0.00 56.93 56.71 2jbr s PHE 127 Cb 0.15 -3.88 0.01 0.00 0.51 0.00 0.00 43.02 39.81 2jbr s PHE 127 CO 0.62 -2.77 1.27 -1.13 0.70 0.00 0.00 175.22 173.91 2jbr n SER 128 N -3.91 1.83 -0.23 1.36 3.41 -1.26 -2.80 113.62 112.02 2jbr n SER 128 Ca 0.13 0.78 0.16 0.00 -0.26 0.00 0.00 58.87 59.68 2jbr n SER 128 Cb 0.60 -1.54 0.47 0.00 -0.26 0.00 0.00 64.21 63.47 2jbr n SER 128 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jbr h LYS 129 N 0.21 0.48 -0.51 4.33 3.64 -1.95 -2.56 116.57 120.21 2jbr h LYS 129 Ca -0.50 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 2jbr h LYS 129 Cb 1.33 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2jbr h LYS 129 CO 0.51 0.32 0.13 1.96 -2.27 0.00 0.00 179.45 180.11 2jbr h GLN 130 N 0.50 0.82 -0.43 1.90 7.50 -1.94 0.11 115.11 123.57 2jbr h GLN 130 Ca 0.44 -0.19 -0.04 0.00 0.50 0.00 0.00 58.65 59.35 2jbr h GLN 130 Cb 0.95 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.35 2jbr h GLN 130 CO -0.17 0.78 0.11 1.25 -1.50 0.00 0.00 178.83 179.29 2jbr h LEU 131 N 0.71 0.65 -0.32 1.46 5.85 -1.73 -1.55 115.31 120.39 2jbr h LEU 131 Ca 0.16 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2jbr h LEU 131 Cb 0.32 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2jbr h LEU 131 CO 0.00 0.71 0.07 1.56 -0.34 0.00 0.00 178.44 180.45 2jbr h GLN 132 N 0.56 0.51 -0.44 1.25 4.20 -1.21 -0.39 115.11 119.59 2jbr h GLN 132 Ca 0.14 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.79 2jbr h GLN 132 Cb 0.32 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 2jbr h GLN 132 CO 0.00 0.58 0.08 -0.44 -0.67 0.00 0.00 178.83 178.38 2jbr h ASP 133 N 0.35 -0.01 -0.85 1.46 3.32 -0.79 0.19 116.42 120.08 2jbr h ASP 133 Ca 0.10 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.24 2jbr h ASP 133 Cb 0.30 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2jbr h ASP 133 CO 0.00 0.03 0.56 -0.08 -1.72 0.00 0.00 179.24 178.03 2jbr h GLU 134 N 0.21 1.10 0.01 3.56 4.81 -0.87 -0.97 114.58 122.42 2jbr h GLU 134 Ca 0.22 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2jbr h GLU 134 Cb 0.27 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2jbr h GLU 134 CO -0.29 0.73 -0.04 0.82 -0.73 0.00 0.00 179.01 179.49 2jbr h ILE 135 N 1.13 1.71 0.00 2.32 2.04 -0.66 -3.39 117.51 120.66 2jbr h ILE 135 Ca 0.32 -2.15 -0.07 0.00 1.00 0.00 0.00 64.86 63.95 2jbr h ILE 135 Cb -0.09 3.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 2jbr h ILE 135 CO -0.08 0.56 -2.00 0.79 0.00 0.00 0.00 178.15 177.43 2jbr n TRP 136 N -4.62 0.00 -0.08 1.37 8.01 0.62 -2.62 117.44 120.11 2jbr n TRP 136 Ca -0.10 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 55.95 2jbr n TRP 136 Cb 0.46 -0.56 -0.03 0.00 -2.01 0.00 0.00 31.31 29.17 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 0.96 0.63 -0.99 3.38 -1.33 -2.48 115.31 115.47 2jbr h LEU 137 Ca -0.11 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 2jbr h LEU 137 Cb 1.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2jbr h LEU 137 CO 0.01 1.29 -0.39 0.50 0.09 0.00 0.00 178.44 179.94 2jbr h LYS 138 N 0.67 -0.93 -2.68 1.13 3.64 -1.72 -3.43 116.57 113.27 2jbr h LYS 138 Ca 0.02 0.06 -0.45 0.00 -1.27 0.00 0.00 60.65 59.02 2jbr h LYS 138 Cb 1.12 0.21 -0.38 0.00 -0.41 0.00 0.00 32.23 32.76 2jbr h LYS 138 CO 0.12 -0.62 -0.72 0.34 -2.27 0.00 0.00 179.45 176.29 2jbr s ASP 139 N -4.37 2.61 0.61 4.20 2.15 -1.08 -5.02 116.67 115.78 2jbr s ASP 139 Ca -0.18 -0.89 0.40 0.00 0.43 0.00 0.00 52.55 52.32 2jbr s ASP 139 Cb 0.04 -0.05 2.03 0.00 -0.30 0.00 0.00 42.92 44.64 2jbr s ASP 139 CO 0.62 -0.39 2.22 -0.65 -0.17 0.00 0.00 175.17 176.79 2jbr h PRO 140 N 8.37 0.00 -0.43 4.34 0.11 -1.70 -2.41 132.00 140.28 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 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jbr h PRO 140 CO 0.37 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.91 2jbr n ASP 141 N -3.04 3.33 -4.76 -2.05 8.00 -1.26 -4.98 116.55 111.78 2jbr n ASP 141 Ca -0.02 -1.97 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 2jbr n ASP 141 Cb 0.15 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 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 3.45 0.23 2.24 0.00 -0.91 -5.05 121.76 120.27 2jbr s ALA 142 Ca 0.40 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.45 2jbr s ALA 142 Cb 0.22 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 2jbr s ALA 142 CO 0.31 -0.37 -0.03 0.95 0.00 0.00 0.00 175.76 176.62 2jbr s THR 143 N -1.10 1.17 0.07 0.00 -4.23 -1.26 -5.00 115.64 105.29 2jbr s THR 143 Ca 0.47 -2.06 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 2jbr s THR 143 Cb -0.35 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2jbr s THR 143 CO 0.46 -0.38 -0.15 0.00 -0.54 0.00 0.00 174.62 174.00 2jbr s ALA 144 N -3.33 2.74 0.43 3.99 0.00 -1.26 -1.25 121.76 123.08 2jbr s ALA 144 Ca 0.27 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2jbr s ALA 144 Cb 0.05 -0.78 0.07 0.00 0.00 0.00 0.00 23.12 22.45 2jbr s ALA 144 CO 0.08 0.60 0.59 -1.13 0.00 0.00 0.00 175.76 175.90 2jbr n SER 145 N 1.17 1.55 -3.88 0.00 3.41 -0.30 -4.30 113.62 111.26 2jbr n SER 145 Ca -0.15 -2.13 -0.09 0.00 -0.26 0.00 0.00 58.87 56.23 2jbr n SER 145 Cb 0.52 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 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 -3.65 -0.12 -0.28 4.04 1.04 -1.26 -0.17 113.70 113.30 2jbr s SER 146 Ca 0.45 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 56.17 2jbr s SER 146 Cb -0.04 0.53 0.17 0.00 0.10 0.00 0.00 66.02 66.79 2jbr s SER 146 CO 0.29 -1.03 0.50 -0.55 0.98 0.00 0.00 173.24 173.43 2jbr s SER 147 N -2.94 -0.60 -0.01 7.02 0.15 -0.48 -4.02 113.70 112.82 2jbr s SER 147 Ca 0.15 0.19 0.17 0.00 0.70 0.00 0.00 55.95 57.16 2jbr s SER 147 Cb 0.00 1.61 -0.22 0.00 -1.71 0.00 0.00 66.02 65.70 2jbr s SER 147 CO 0.01 -0.31 0.60 2.30 1.20 0.00 0.00 173.24 177.04 2jbr n ILE 148 N 5.39 0.00 -2.07 6.45 -6.64 -1.26 -1.95 119.36 119.28 2jbr n ILE 148 Ca 0.01 -0.21 -0.42 0.00 -1.77 0.00 0.00 62.75 60.35 2jbr n ILE 148 Cb 0.51 0.66 -0.03 0.00 -1.44 0.00 0.00 39.64 39.34 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 -2.85 3.63 -1.19 -1.28 0.00 -1.26 -4.11 121.76 114.70 2jbr s ALA 149 Ca 0.02 1.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 2jbr s ALA 149 Cb 0.12 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 2jbr s ALA 149 CO 0.72 -1.08 2.23 -0.35 0.00 0.00 0.00 175.76 177.28 2jbr n PRO 150 N 5.81 2.45 0.06 0.00 -0.04 -1.26 -4.57 135.00 137.45 2jbr n PRO 150 Ca 0.15 -2.14 0.12 0.00 -0.04 0.00 0.00 63.50 61.59 2jbr n PRO 150 Cb 0.42 -2.97 0.10 0.00 -0.04 0.00 0.00 33.50 31.01 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 5.86 0.54 -2.26 0.54 3.72 -1.26 -4.65 117.46 119.95 2jbr n PHE 151 Ca 0.54 0.16 -0.35 0.00 -0.05 0.00 0.00 57.45 57.75 2jbr n PHE 151 Cb 0.33 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 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 -3.77 2.60 -0.12 1.37 0.00 -1.26 -4.89 107.32 101.26 2jbr s GLY 152 Ca 0.04 0.80 -0.15 0.00 0.00 0.00 0.00 44.72 45.41 2jbr s GLY 152 CO 0.75 1.15 0.35 0.54 0.00 0.00 0.00 173.10 175.89 2jbr s LYS 153 N -3.32 4.17 -0.15 2.90 1.02 0.13 -4.73 119.74 119.76 2jbr s LYS 153 Ca 0.72 0.22 -0.00 0.00 0.02 0.00 0.00 55.97 56.93 2jbr s LYS 153 Cb -0.23 -3.38 -0.00 0.00 -0.52 0.00 0.00 37.83 33.70 2jbr s LYS 153 CO 0.27 0.33 -0.14 0.54 -0.92 0.00 0.00 175.35 175.43 2jbr s VAL 154 N 0.14 2.79 -0.24 3.17 0.11 -1.26 -1.47 120.40 123.65 2jbr s VAL 154 Ca 0.20 -0.73 -0.06 0.00 -2.93 0.00 0.00 61.98 58.46 2jbr s VAL 154 Cb -0.14 -2.18 -0.02 0.00 -1.53 0.00 0.00 36.38 32.50 2jbr s VAL 154 CO 0.07 0.51 0.04 -0.70 -3.33 0.00 0.00 175.10 171.69 2jbr s GLU 155 N 0.76 3.60 -0.40 1.54 2.12 0.03 -4.97 118.70 121.37 2jbr s GLU 155 Ca -0.06 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 2jbr s GLU 155 Cb -0.15 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2jbr s GLU 155 CO 0.01 -0.16 1.49 -1.21 -0.54 0.00 0.00 175.26 174.85 2jbr s GLU 156 N 1.50 3.52 0.22 4.30 0.41 -1.26 -0.51 118.70 126.87 2jbr s GLU 156 Ca 0.06 1.02 0.02 0.00 -0.41 0.00 0.00 54.97 55.66 2jbr s GLU 156 Cb -0.15 -4.06 0.02 0.00 -1.78 0.00 0.00 34.13 28.16 2jbr s GLU 156 CO 0.02 -1.64 0.18 1.33 -0.49 0.00 0.00 175.26 174.66 2jbr n VAL 157 N 7.15 0.00 -3.50 2.63 0.24 -1.07 -4.97 118.33 118.81 2jbr n VAL 157 Ca 0.18 -0.87 -0.38 0.00 -2.04 0.00 0.00 64.34 61.23 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 -2.92 4.01 0.00 7.34 -1.05 -1.26 -3.80 118.70 121.02 2jbr s GLU 158 Ca 0.13 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 2jbr s GLU 158 Cb -0.01 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 2jbr s GLU 158 CO 0.09 0.53 0.00 0.41 0.95 0.00 0.00 175.26 177.23 2jbr n GLY 159 N 2.35 0.61 0.00 -3.83 0.00 -1.26 -4.91 105.19 98.15 2jbr n GLY 159 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.77 -0.23 3.24 -0.02 0.00 -1.25 -1.10 105.19 103.06 2jbr n GLY 160 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 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 0.85 -0.17 -0.61 -4.36 -0.55 -2.60 121.20 109.77 2jbr s ILE 161 Ca 0.00 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 2jbr s ILE 161 Cb 0.00 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 2jbr s ILE 161 CO 0.00 -0.60 -0.05 -0.63 0.24 0.00 0.00 174.94 173.90 2jbr s ILE 162 N -3.54 3.64 -0.09 8.37 1.01 0.33 -1.04 121.20 129.88 2jbr s ILE 162 Ca 0.20 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2jbr s ILE 162 Cb 0.05 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 2jbr s ILE 162 CO 0.02 0.48 -0.21 -0.22 0.00 0.00 0.00 174.94 175.01 2jbr s LEU 163 N 0.64 2.29 0.01 2.97 2.96 0.72 -0.79 118.68 127.48 2jbr s LEU 163 Ca -0.03 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2jbr s LEU 163 Cb -0.15 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 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 0.06 2.29 0.00 3.68 -0.87 -0.54 -1.36 114.94 118.19 2jbr s ASN 164 Ca -0.09 -0.42 0.00 0.00 -1.57 0.00 0.00 52.86 50.79 2jbr s ASN 164 Cb -0.15 -0.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.85 2jbr s ASN 164 CO 0.05 0.19 0.00 0.61 -2.57 0.00 0.00 177.10 175.39 2jbr n GLY 165 N 2.29 3.18 3.60 0.66 0.00 -0.64 0.21 105.19 114.48 2jbr n GLY 165 Ca -0.16 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 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 6.31 -0.62 1.61 1.01 -1.26 -1.12 116.67 122.60 2jbr s ASP 166 Ca 0.00 0.28 -0.05 0.00 0.71 0.00 0.00 52.55 53.49 2jbr s ASP 166 Cb 0.00 -2.24 0.16 0.00 1.01 0.00 0.00 42.92 41.85 2jbr s ASP 166 CO 0.00 -0.26 0.45 -0.31 0.21 0.00 0.00 175.17 175.26 2jbr s TYR 167 N 2.18 3.47 0.89 4.23 2.02 0.12 -4.84 117.35 125.42 2jbr s TYR 167 Ca 0.17 -2.54 -0.12 0.00 -0.37 0.00 0.00 57.07 54.21 2jbr s TYR 167 Cb -0.16 -3.30 0.13 0.00 -0.40 0.00 0.00 41.96 38.23 2jbr s TYR 167 CO 0.10 -0.88 1.12 0.20 -1.57 0.00 0.00 175.55 174.52 2jbr s GLY 168 N 1.12 1.59 -1.16 0.71 0.00 -1.26 -0.01 107.32 108.31 2jbr s GLY 168 Ca 0.15 -0.39 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 2jbr s GLY 168 CO -0.04 0.14 0.78 0.79 0.00 0.00 0.00 173.10 174.77 2jbr n TRP 169 N -3.75 -1.98 -3.37 1.90 8.01 -1.20 -4.72 117.44 112.33 2jbr n TRP 169 Ca 0.06 0.57 -0.46 0.00 -1.31 0.00 0.00 57.50 56.37 2jbr n TRP 169 Cb 0.58 -3.67 -0.02 0.00 -2.01 0.00 0.00 31.31 26.19 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 -3.60 6.74 0.27 -0.99 0.15 -0.18 -4.75 113.70 111.33 2jbr s SER 170 Ca 0.40 -2.88 -0.31 0.00 0.70 0.00 0.00 55.95 53.86 2jbr s SER 170 Cb -0.12 -2.18 -0.12 0.00 -1.71 0.00 0.00 66.02 61.89 2jbr s SER 170 CO 0.84 -0.50 1.63 -1.20 1.20 0.00 0.00 173.24 175.21 2jbr n SER 171 N 3.68 3.88 -0.20 5.45 7.64 -1.26 -2.29 113.62 130.52 2jbr n SER 171 Ca 0.15 1.12 -0.03 0.00 1.01 0.00 0.00 58.87 61.13 2jbr n SER 171 Cb 0.45 -1.59 -0.01 0.00 -1.01 0.00 0.00 64.21 62.05 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 2.70 0.55 0.24 0.23 0.00 0.03 -4.61 105.19 104.33 2jbr n GLY 172 Ca 0.11 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 0.06 0.00 -0.06 0.00 3.32 -1.86 -3.05 116.42 114.83 2jbr h ASP 174 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jbr h ASP 174 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2jbr h ASP 174 CO 0.02 0.04 0.00 1.41 -1.72 0.00 0.00 179.24 178.98 2jbr n HIS 175 N -3.33 0.06 -3.89 4.55 8.25 -0.55 -5.00 115.22 115.32 2jbr n HIS 175 Ca -0.02 -0.05 -0.30 0.00 -0.26 0.00 0.00 57.72 57.09 2jbr n HIS 175 Cb 0.17 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.17 3.97 -0.65 -1.41 0.00 -1.16 -4.84 121.76 116.52 2jbr s ALA 176 Ca 0.18 -0.85 0.22 0.00 0.00 0.00 0.00 51.96 51.51 2jbr s ALA 176 Cb 0.12 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 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 0.05 0.25 -4.12 0.00 4.71 -0.38 -4.87 120.64 116.28 2jbr n GLU 177 Ca -0.05 -0.03 -0.09 0.00 -0.01 0.00 0.00 57.16 56.98 2jbr n GLU 177 Cb 0.52 -1.56 -0.10 0.00 -1.01 0.00 0.00 31.44 29.29 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 -3.18 0.72 -0.02 -0.32 2.02 -0.99 -0.86 117.35 114.72 2jbr s TYR 178 Ca 0.04 -1.15 0.03 0.00 -0.37 0.00 0.00 57.07 55.62 2jbr s TYR 178 Cb 0.15 -0.43 -0.01 0.00 -0.40 0.00 0.00 41.96 41.28 2jbr s TYR 178 CO 0.82 -0.48 -0.12 0.00 -1.57 0.00 0.00 175.55 174.20 2jbr s ALA 179 N -4.00 1.03 -0.19 3.71 0.00 -0.21 -1.15 121.76 120.95 2jbr s ALA 179 Ca 0.18 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 2jbr s ALA 179 Cb 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2jbr s ALA 179 CO -0.02 0.22 0.26 0.42 0.00 0.00 0.00 175.76 176.64 2jbr s ILE 180 N -0.11 5.31 -0.06 0.00 1.01 0.76 -1.42 121.20 126.69 2jbr s ILE 180 Ca 0.01 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.15 2jbr s ILE 180 Cb -0.07 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2jbr s ILE 180 CO 0.00 0.36 -0.16 -0.69 0.00 0.00 0.00 174.94 174.45 2jbr s VAL 181 N 0.76 1.37 -0.05 2.92 1.01 -0.18 -1.38 120.40 124.85 2jbr s VAL 181 Ca 0.14 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2jbr s VAL 181 Cb -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2jbr s VAL 181 CO 0.04 0.40 0.29 -0.83 0.00 0.00 0.00 175.10 175.00 2jbr s GLY 182 N 0.29 2.34 0.12 4.51 0.00 -0.82 -0.86 107.32 112.90 2jbr s GLY 182 Ca -0.09 -0.40 -0.19 0.00 0.00 0.00 0.00 44.72 44.04 2jbr s GLY 182 CO 0.03 -0.08 0.48 -0.11 0.00 0.00 0.00 173.10 173.42 2jbr s PHE 183 N -1.05 -0.34 -0.22 1.90 -0.12 -0.49 -4.04 117.98 113.62 2jbr s PHE 183 Ca 0.20 0.11 -0.12 0.00 -0.05 0.00 0.00 56.93 57.07 2jbr s PHE 183 Cb -0.15 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2jbr s PHE 183 CO 0.09 -0.73 0.24 -0.80 -0.05 0.00 0.00 175.22 173.97 2jbr s ASN 184 N -2.64 6.25 0.41 1.98 0.02 -1.26 -0.61 114.94 119.09 2jbr s ASN 184 Ca 0.01 0.28 0.08 0.00 -1.02 0.00 0.00 52.86 52.20 2jbr s ASN 184 Cb 0.01 -2.15 -0.00 0.00 0.02 0.00 0.00 41.25 39.13 2jbr s ASN 184 CO -0.10 0.04 0.49 -0.13 0.02 0.00 0.00 177.10 177.42 2jbr s ARG 185 N 0.97 2.76 0.01 -0.60 0.52 -0.32 -4.79 118.95 117.51 2jbr s ARG 185 Ca 0.12 -1.31 0.08 0.00 -0.52 0.00 0.00 55.73 54.09 2jbr s ARG 185 Cb -0.13 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 2jbr s ARG 185 CO 0.05 -0.21 -0.23 -0.06 0.02 0.00 0.00 175.30 174.87 2jbr s PHE 186 N -2.37 2.07 1.03 -0.53 0.40 -1.26 0.49 117.98 117.81 2jbr s PHE 186 Ca 0.52 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 2jbr s PHE 186 Cb -0.08 -1.29 0.20 0.00 0.51 0.00 0.00 43.02 42.37 2jbr s PHE 186 CO 0.31 0.03 1.08 -0.51 0.70 0.00 0.00 175.22 176.83 2jbr s ASP 187 N -0.85 2.30 0.23 1.36 1.01 -0.14 -4.87 116.67 115.71 2jbr s ASP 187 Ca 0.09 1.35 -0.12 0.00 0.71 0.00 0.00 52.55 54.58 2jbr s ASP 187 Cb -0.09 -2.04 0.30 0.00 1.01 0.00 0.00 42.92 42.10 2jbr s ASP 187 CO 0.00 -3.36 1.61 0.00 0.21 0.00 0.00 175.17 173.64 2jbr h ALA 188 N -2.05 0.50 0.00 5.23 0.00 -2.01 -2.98 119.26 117.95 2jbr h ALA 188 Ca -0.55 0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2jbr h ALA 188 Cb 1.32 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 2jbr h ALA 188 CO 0.55 -0.41 -0.54 -0.44 0.00 0.00 0.00 179.25 178.40 2jbr h ASP 189 N 0.01 0.00 0.00 0.00 3.32 -2.05 -3.47 116.42 114.23 2jbr h ASP 189 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2jbr h ASP 189 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2jbr h ASP 189 CO -0.74 0.54 0.00 0.61 -1.72 0.00 0.00 179.24 177.93 2jbr n GLY 190 N 0.02 1.22 3.81 2.75 0.00 -1.13 -5.11 105.19 106.76 2jbr n GLY 190 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 6.67 0.22 1.61 0.01 -1.26 -4.70 114.94 115.49 2jbr s ASN 191 Ca 0.00 1.78 -0.30 0.00 -0.71 0.00 0.00 52.86 53.63 2jbr s ASN 191 Cb 0.00 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 2jbr s ASN 191 CO 0.00 -0.55 1.21 -0.54 -1.51 0.00 0.00 177.10 175.72 2jbr s LYS 192 N -3.26 4.48 -0.42 -0.60 1.02 -1.26 -0.97 119.74 118.73 2jbr s LYS 192 Ca 0.64 1.93 0.02 0.00 0.02 0.00 0.00 55.97 58.59 2jbr s LYS 192 Cb -0.12 -3.21 0.11 0.00 -0.52 0.00 0.00 37.83 34.10 2jbr s LYS 192 CO 0.17 -0.08 0.16 0.42 -0.92 0.00 0.00 175.35 175.10 2jbr s ILE 193 N -0.32 2.65 -0.07 2.17 -1.09 0.18 -4.90 121.20 119.82 2jbr s ILE 193 Ca 0.52 -2.61 -0.30 0.00 -2.23 0.00 0.00 60.65 56.03 2jbr s ILE 193 Cb -0.34 -2.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.62 2jbr s ILE 193 CO 0.39 -0.69 1.56 -0.47 -1.23 0.00 0.00 174.94 174.50 2jbr s TYR 194 N 0.54 2.19 0.12 3.97 5.04 -1.26 -1.17 117.35 126.77 2jbr s TYR 194 Ca 0.13 0.38 0.04 0.00 -2.44 0.00 0.00 57.07 55.18 2jbr s TYR 194 Cb -0.22 -3.82 -0.04 0.00 0.35 0.00 0.00 41.96 38.23 2jbr s TYR 194 CO -0.05 -3.36 -0.10 -1.12 -1.34 0.00 0.00 175.55 169.58 2jbr s SER 195 N 2.99 1.59 -0.03 4.32 0.01 0.22 -1.04 113.70 121.75 2jbr s SER 195 Ca 0.69 -0.90 0.06 0.00 1.31 0.00 0.00 55.95 57.12 2jbr s SER 195 Cb -0.31 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 2jbr s SER 195 CO 0.26 -0.29 -0.23 -0.36 0.41 0.00 0.00 173.24 173.03 2jbr s PHE 196 N -2.81 2.45 -0.06 2.43 0.08 0.75 -1.40 117.98 119.41 2jbr s PHE 196 Ca 0.10 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.78 2jbr s PHE 196 Cb -0.01 -1.55 -0.00 0.00 -0.57 0.00 0.00 43.02 40.89 2jbr s PHE 196 CO 0.00 -0.01 -0.21 0.20 -0.10 0.00 0.00 175.22 175.10 2jbr s GLY 197 N -0.56 1.13 -0.26 4.36 0.00 -0.04 -1.13 107.32 110.82 2jbr s GLY 197 Ca 0.08 -0.86 -0.10 0.00 0.00 0.00 0.00 44.72 43.84 2jbr s GLY 197 CO 0.00 -0.44 0.16 0.14 0.00 0.00 0.00 173.10 172.96 2jbr s VAL 198 N 0.04 5.20 0.05 1.40 1.01 -0.63 -1.01 120.40 126.46 2jbr s VAL 198 Ca -0.07 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.11 2jbr s VAL 198 Cb -0.14 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2jbr s VAL 198 CO 0.04 0.30 -0.19 0.27 0.00 0.00 0.00 175.10 175.52 2jbr s ILE 199 N 1.47 1.52 0.59 2.22 -4.36 -0.51 -4.92 121.20 117.22 2jbr s ILE 199 Ca 0.07 -1.20 -0.14 0.00 -0.26 0.00 0.00 60.65 59.11 2jbr s ILE 199 Cb -0.15 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 2jbr s ILE 199 CO 0.08 0.10 1.03 -2.16 0.24 0.00 0.00 174.94 174.24 2jbr s PRO 200 N -1.29 3.45 0.48 0.37 0.04 -1.26 -1.04 135.00 135.76 2jbr s PRO 200 Ca 0.06 1.03 0.30 0.00 0.04 0.00 0.00 61.00 62.43 2jbr s PRO 200 Cb -0.09 -2.06 1.38 0.00 0.04 0.00 0.00 34.50 33.78 2jbr s PRO 200 CO 0.02 -0.69 1.77 -0.09 0.04 0.00 0.00 177.00 178.06 2jbr h ARG 201 N 0.26 0.15 0.00 4.56 9.65 -1.33 0.17 114.38 127.83 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 1.20 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2jbr h ARG 201 CO 0.59 0.10 0.00 -1.13 2.80 0.00 0.00 179.97 182.33 2jbr n SER 202 N -4.38 0.73 -0.27 -3.80 3.41 -1.26 -3.18 113.62 104.86 2jbr n SER 202 Ca 0.27 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.68 2jbr n SER 202 Cb 1.14 -0.83 0.38 0.00 -0.26 0.00 0.00 64.21 64.64 2jbr n SER 202 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jbr n ASP 203 N -2.29 1.08 -3.94 4.04 8.00 0.05 -4.94 116.55 118.55 2jbr n ASP 203 Ca 0.02 -0.94 -0.09 0.00 0.71 0.00 0.00 54.79 54.49 2jbr n ASP 203 Cb 0.25 0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.47 0.26 -0.15 1.24 -0.85 -1.19 -4.59 117.35 109.59 2jbr s TYR 204 Ca 0.25 -0.66 -0.06 0.00 -0.52 0.00 0.00 57.07 56.08 2jbr s TYR 204 Cb 0.19 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 2jbr s TYR 204 CO 0.51 -0.44 0.04 -2.00 -1.52 0.00 0.00 175.55 172.15 2jbr s GLU 205 N -3.38 3.68 -0.42 -3.49 2.12 -0.83 -4.92 118.70 111.46 2jbr s GLU 205 Ca 0.02 -0.36 -0.25 0.00 0.36 0.00 0.00 54.97 54.74 2jbr s GLU 205 Cb 0.03 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.36 2jbr s GLU 205 CO -0.08 0.40 0.87 0.42 -0.54 0.00 0.00 175.26 176.34 2jbr s ILE 206 N -0.02 4.58 -0.24 -3.70 1.01 -1.26 -0.02 121.20 121.56 2jbr s ILE 206 Ca 0.05 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.38 2jbr s ILE 206 Cb -0.12 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2jbr s ILE 206 CO 0.01 -0.66 0.40 -0.69 0.00 0.00 0.00 174.94 174.00 2jbr s VAL 207 N 3.47 5.18 -1.06 2.92 1.01 0.22 -4.97 120.40 127.17 2jbr s VAL 207 Ca 0.35 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.80 2jbr s VAL 207 Cb -0.11 -3.72 0.11 0.00 0.00 0.00 0.00 36.38 32.65 2jbr s VAL 207 CO 0.22 0.20 1.37 -0.62 0.00 0.00 0.00 175.10 176.26 2jbr s ASP 208 N 1.32 6.70 -0.11 3.32 -1.08 -1.26 -1.90 116.67 123.67 2jbr s ASP 208 Ca 0.17 -2.10 0.14 0.00 -0.52 0.00 0.00 52.55 50.24 2jbr s ASP 208 Cb -0.15 -2.48 0.36 0.00 -1.46 0.00 0.00 42.92 39.19 2jbr s ASP 208 CO 0.09 -1.15 1.27 -0.46 0.52 0.00 0.00 175.17 175.43 2jbr n ASN 209 N 7.34 3.06 -4.55 -0.34 6.94 -1.26 -4.96 115.26 121.49 2jbr n ASN 209 Ca 0.33 -2.76 -0.42 0.00 -0.02 0.00 0.00 54.58 51.71 2jbr n ASN 209 Cb 0.48 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.49 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 -2.33 2.75 -0.44 -2.53 -0.00 -1.26 -4.87 118.94 110.25 2jbr s TRP 210 Ca 0.31 -1.29 0.03 0.00 -0.00 0.00 0.00 56.10 55.15 2jbr s TRP 210 Cb 0.25 -4.66 0.13 0.00 -0.00 0.00 0.00 33.47 29.19 2jbr s TRP 210 CO 0.07 -1.81 0.21 0.71 -0.00 0.00 0.00 176.95 176.13 2jbr s TYR 211 N 4.23 2.64 0.35 5.86 2.02 -1.26 -4.99 117.35 126.21 2jbr s TYR 211 Ca 0.48 -2.72 0.05 0.00 -0.37 0.00 0.00 57.07 54.51 2jbr s TYR 211 Cb 0.01 -2.36 -0.07 0.00 -0.40 0.00 0.00 41.96 39.14 2jbr s TYR 211 CO -0.02 -0.80 0.04 0.00 -1.57 0.00 0.00 175.55 173.20 2jbr s ALA 212 N 0.31 2.63 -1.35 3.71 0.00 -1.26 -5.06 121.76 120.73 2jbr s ALA 212 Ca 0.16 -2.14 0.16 0.00 0.00 0.00 0.00 51.96 50.13 2jbr s ALA 212 Cb -0.24 0.50 0.46 0.00 0.00 0.00 0.00 23.12 23.84 2jbr s ALA 212 CO -0.03 -0.25 1.38 1.04 0.00 0.00 0.00 175.76 177.90 2jbr n GLN 213 N -0.78 2.83 -3.58 0.00 1.13 -1.26 -4.85 117.38 110.87 2jbr n GLN 213 Ca -0.03 -2.33 -0.11 0.00 -1.94 0.00 0.00 57.00 52.59 2jbr n GLN 213 Cb 0.67 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.58 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 -1.03 -1.27 -1.16 -1.58 0.00 -1.26 -4.75 121.76 110.71 2jbr s ALA 214 Ca 0.35 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 2jbr s ALA 214 Cb 0.18 0.83 0.05 0.00 0.00 0.00 0.00 23.12 24.19 2jbr s ALA 214 CO 0.23 -0.77 0.13 0.44 0.00 0.00 0.00 175.76 175.79 2jbr n ILE 215 N -0.34 -0.49 -0.34 0.00 -5.35 -1.26 -4.79 119.36 106.79 2jbr n ILE 215 Ca -0.14 -0.24 0.02 0.00 -0.27 0.00 0.00 62.75 62.11 2jbr n ILE 215 Cb 0.64 -0.60 0.19 0.00 -1.74 0.00 0.00 39.64 38.13 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 -0.86 1.13 0.00 6.28 1.57 -1.88 -1.07 116.57 121.73 2jbr h LYS 216 Ca -0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2jbr h LYS 216 Cb 0.98 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2jbr h LYS 216 CO 0.54 0.75 0.00 -1.13 -0.57 0.00 0.00 179.45 179.04 2jbr n SER 217 N -4.46 0.00 0.24 0.86 3.41 -1.26 -3.10 113.62 109.31 2jbr n SER 217 Ca 0.13 -0.60 0.12 0.00 -0.26 0.00 0.00 58.87 58.26 2jbr n SER 217 Cb 0.13 -0.01 0.48 0.00 -0.26 0.00 0.00 64.21 64.56 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 -5.70 4.04 4.64 -1.29 -0.36 113.55 114.87 2jbr h SER 218 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 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 0.14 -0.78 0.61 -0.87 0.00 0.00 176.83 175.93 2jbr n GLY 219 N 0.27 -0.36 2.38 -0.77 0.00 -1.18 -0.79 105.19 104.74 2jbr n GLY 219 Ca 0.01 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.12 8.46 -4.44 1.61 7.64 -1.26 -3.51 113.62 118.99 2jbr n SER 220 Ca -0.29 -2.77 -0.29 0.00 1.01 0.00 0.00 58.87 56.52 2jbr n SER 220 Cb 0.67 -1.49 0.15 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.02 1.03 0.02 1.43 1.02 -1.24 -3.62 119.74 119.41 2jbr s LYS 221 Ca 0.64 -0.14 -0.05 0.00 0.02 0.00 0.00 55.97 56.45 2jbr s LYS 221 Cb 0.18 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.58 2jbr s LYS 221 CO -0.07 -2.19 0.24 1.41 -0.92 0.00 0.00 175.35 173.82 2jbr s MET 222 N -5.69 3.53 -0.25 1.68 -2.45 -0.80 -1.01 119.30 114.31 2jbr s MET 222 Ca 0.69 -0.18 -0.08 0.00 -1.25 0.00 0.00 55.69 54.86 2jbr s MET 222 Cb -0.08 -3.06 -0.03 0.00 1.25 0.00 0.00 34.83 32.90 2jbr s MET 222 CO 0.52 0.64 0.10 -0.51 1.05 0.00 0.00 175.02 176.82 2jbr s LEU 223 N -1.94 3.58 -0.31 4.11 1.43 0.98 -0.61 118.68 125.92 2jbr s LEU 223 Ca 0.29 -0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 2jbr s LEU 223 Cb -0.13 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2jbr s LEU 223 CO 0.18 -0.03 0.33 -0.75 0.23 0.00 0.00 176.35 176.32 2jbr s LYS 224 N 1.61 3.75 -0.27 1.70 2.20 0.97 0.13 119.74 129.83 2jbr s LYS 224 Ca 0.06 -0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 55.34 2jbr s LYS 224 Cb -0.15 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2jbr s LYS 224 CO 0.05 -0.40 0.04 -0.51 -0.36 0.00 0.00 175.35 174.17 2jbr s LEU 225 N 1.98 3.56 -0.27 5.43 1.02 -0.27 -1.96 118.68 128.17 2jbr s LEU 225 Ca 0.12 -0.63 -0.01 0.00 0.02 0.00 0.00 54.13 53.63 2jbr s LEU 225 Cb -0.16 -1.83 0.04 0.00 0.02 0.00 0.00 46.19 44.26 2jbr s LEU 225 CO 0.11 -0.14 -0.04 -0.69 0.02 0.00 0.00 176.35 175.61 2jbr s VAL 226 N 1.48 2.82 -1.34 -1.59 1.01 -1.26 -1.62 120.40 119.90 2jbr s VAL 226 Ca 0.03 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 2jbr s VAL 226 Cb -0.16 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.69 2jbr s VAL 226 CO 0.01 0.03 0.44 0.59 0.00 0.00 0.00 175.10 176.17 2jbr n ASN 227 N 4.61 -2.13 -4.65 3.32 5.03 -1.21 -4.89 115.26 115.35 2jbr n ASN 227 Ca -0.15 -1.22 -0.42 0.00 0.87 0.00 0.00 54.58 53.66 2jbr n ASN 227 Cb 0.45 -2.03 -0.04 0.00 -1.02 0.00 0.00 39.78 37.14 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 -3.86 4.82 -0.16 2.41 1.01 -0.46 -4.81 120.40 119.35 2jbr s VAL 228 Ca 0.27 1.64 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 2jbr s VAL 228 Cb -0.14 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2jbr s VAL 228 CO 0.96 -0.08 0.82 0.12 0.00 0.00 0.00 175.10 176.92 2jbr s PHE 229 N 2.82 3.44 -0.25 5.22 2.19 -1.26 -0.20 117.98 129.94 2jbr s PHE 229 Ca 0.36 1.26 -0.01 0.00 0.33 0.00 0.00 56.93 58.88 2jbr s PHE 229 Cb -0.15 -3.00 0.03 0.00 -1.31 0.00 0.00 43.02 38.59 2jbr s PHE 229 CO 0.08 -0.21 -0.07 0.42 1.83 0.00 0.00 175.22 177.27 2jbr s ILE 230 N 2.01 2.73 0.55 3.12 1.01 -0.21 -5.00 121.20 125.42 2jbr s ILE 230 Ca 0.38 -1.16 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 2jbr s ILE 230 Cb -0.17 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 2jbr s ILE 230 CO 0.13 0.15 1.16 -2.16 0.00 0.00 0.00 174.94 174.22 2jbr s PRO 231 N 1.28 3.25 0.34 2.79 0.04 -1.26 -1.48 135.00 139.96 2jbr s PRO 231 Ca -0.02 1.70 0.11 0.00 0.04 0.00 0.00 61.00 62.83 2jbr s PRO 231 Cb -0.17 -2.00 0.89 0.00 0.04 0.00 0.00 34.50 33.25 2jbr s PRO 231 CO -0.05 -0.95 1.77 1.49 0.04 0.00 0.00 177.00 179.30 2jbr h GLU 232 N 1.15 0.58 0.00 4.56 4.57 -1.47 0.15 114.58 124.11 2jbr h GLU 232 Ca -0.50 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2jbr h GLU 232 Cb 1.27 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2jbr h GLU 232 CO 0.56 0.39 0.00 2.48 -1.18 0.00 0.00 179.01 181.26 2jbr n TYR 233 N -4.75 0.00 -0.80 0.92 0.18 -1.26 -1.70 117.16 109.74 2jbr n TYR 233 Ca 0.25 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.11 2jbr n TYR 233 Cb 0.70 -0.49 0.26 0.00 -0.38 0.00 0.00 39.34 39.44 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 -1.49 3.21 -4.75 -3.48 1.74 0.04 -4.48 116.66 107.45 2jbr n ARG 234 Ca 0.04 -2.73 -0.30 0.00 -0.77 0.00 0.00 57.85 54.08 2jbr n ARG 234 Cb 0.16 -1.79 -0.17 0.00 -1.02 0.00 0.00 32.46 29.65 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 -2.39 1.79 0.01 0.55 1.01 -0.69 -1.60 121.20 119.88 2jbr s ILE 235 Ca 0.41 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.29 2jbr s ILE 235 Cb 0.31 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 2jbr s ILE 235 CO 0.12 0.50 -0.20 -0.44 0.00 0.00 0.00 174.94 174.92 2jbr s SER 236 N 0.71 2.34 0.21 3.58 0.01 -0.28 -4.97 113.70 115.30 2jbr s SER 236 Ca -0.11 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 2jbr s SER 236 Cb -0.16 -0.23 -0.08 0.00 0.21 0.00 0.00 66.02 65.76 2jbr s SER 236 CO 0.02 0.19 1.17 -0.54 0.41 0.00 0.00 173.24 174.49 2jbr s LYS 237 N -0.81 4.53 0.18 12.44 1.02 -1.26 -0.18 119.74 135.66 2jbr s LYS 237 Ca 0.07 1.85 -0.13 0.00 0.02 0.00 0.00 55.97 57.79 2jbr s LYS 237 Cb -0.08 -3.23 0.09 0.00 -0.52 0.00 0.00 37.83 34.09 2jbr s LYS 237 CO 0.00 -0.01 1.84 0.00 -0.92 0.00 0.00 175.35 176.26 2jbr h ALA 238 N 4.86 0.75 -0.56 5.17 0.00 -1.43 -2.68 119.26 125.37 2jbr h ALA 238 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2jbr h ALA 238 Cb 1.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2jbr h ALA 238 CO 0.72 0.20 0.27 -0.22 0.00 0.00 0.00 179.25 180.22 2jbr h LYS 239 N 0.80 0.79 -0.75 0.00 3.64 -1.93 -1.69 116.57 117.42 2jbr h LYS 239 Ca 0.21 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2jbr h LYS 239 Cb -0.07 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 2jbr h LYS 239 CO -0.04 0.61 0.40 -0.44 -2.27 0.00 0.00 179.45 177.70 2jbr h ASP 240 N 0.79 0.94 0.59 4.20 3.32 -1.84 -1.89 116.42 122.53 2jbr h ASP 240 Ca 0.20 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2jbr h ASP 240 Cb 0.08 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2jbr h ASP 240 CO -0.03 0.77 -0.12 0.23 -1.72 0.00 0.00 179.24 178.37 2jbr n MET 241 N -4.35 0.36 0.03 3.56 2.81 -0.78 -0.48 117.12 118.27 2jbr n MET 241 Ca 0.08 -0.09 -0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2jbr n MET 241 Cb 0.11 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.04 2jbr n MET 241 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2jbr n MET 242 N -1.24 0.62 -0.02 0.03 2.81 -0.71 -0.97 117.12 117.64 2jbr n MET 242 Ca 0.11 0.23 0.01 0.00 -1.81 0.00 0.00 57.70 56.23 2jbr n MET 242 Cb 0.30 -1.81 0.02 0.00 -0.71 0.00 0.00 33.22 31.01 2jbr n MET 242 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2jbr n GLU 243 N -2.89 2.60 -3.10 0.03 1.02 -0.76 -4.11 120.64 113.43 2jbr n GLU 243 Ca -0.10 -1.46 -0.13 0.00 -0.02 0.00 0.00 57.16 55.45 2jbr n GLU 243 Cb 0.84 -1.03 0.07 0.00 -0.02 0.00 0.00 31.44 31.30 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 -0.34 -0.16 0.00 0.62 0.00 -0.76 -4.95 105.19 99.60 2jbr n GLY 244 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.40 0.67 -1.82 1.61 5.02 0.36 -4.93 118.16 115.67 2jbr n LYS 245 Ca -0.19 -0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 55.14 2jbr n LYS 245 Cb 0.62 -0.72 0.12 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.28 4.00 0.52 4.39 1.04 -1.15 -4.92 113.70 117.30 2jbr s SER 246 Ca 0.00 0.73 0.17 0.00 0.48 0.00 0.00 55.95 57.33 2jbr s SER 246 Cb 0.00 -1.15 1.28 0.00 0.10 0.00 0.00 66.02 66.25 2jbr s SER 246 CO 0.00 -2.22 2.14 0.00 0.98 0.00 0.00 173.24 174.14 2jbr h ALA 247 N -1.27 1.92 -0.09 5.32 0.00 -1.86 -2.43 119.26 120.84 2jbr h ALA 247 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jbr h ALA 247 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jbr h ALA 247 CO 0.60 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2jbr n GLY 248 N -1.45 0.37 3.74 0.00 0.00 -0.30 -4.64 105.19 102.92 2jbr n GLY 248 Ca -0.03 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.90 2.87 0.00 1.61 5.36 -0.92 -2.71 117.98 122.30 2jbr s PHE 249 Ca 0.35 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.12 2jbr s PHE 249 Cb 0.20 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 2jbr s PHE 249 CO 0.31 -3.36 0.00 0.41 -1.46 0.00 0.00 175.22 171.12 2jbr n GLY 250 N 2.47 0.86 0.24 13.12 0.00 -1.26 -4.92 105.19 115.70 2jbr n GLY 250 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 0.45 -7.01 0.99 3.38 -1.88 -3.37 115.31 107.88 2jbr h LEU 251 Ca 0.00 -0.15 -0.62 0.00 0.09 0.00 0.00 57.88 57.21 2jbr h LEU 251 Cb 0.00 -0.12 -0.41 0.00 0.09 0.00 0.00 40.66 40.22 2jbr h LEU 251 CO 0.00 0.69 -0.65 -0.31 0.09 0.00 0.00 178.44 178.26 2jbr s TYR 252 N -4.52 3.04 -0.26 1.13 2.02 -1.26 -4.97 117.35 112.53 2jbr s TYR 252 Ca -0.07 -3.10 0.27 0.00 -0.37 0.00 0.00 57.07 53.81 2jbr s TYR 252 Cb 0.14 -2.39 1.14 0.00 -0.40 0.00 0.00 41.96 40.45 2jbr s TYR 252 CO 0.78 -0.63 1.82 -1.35 -1.57 0.00 0.00 175.55 174.60 2jbr h PRO 253 N 5.67 0.00 -0.02 -1.71 0.11 -2.01 -1.85 132.00 132.19 2jbr h PRO 253 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 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 0.65 0.00 -0.19 -0.25 -0.21 0.00 0.00 178.00 177.99 2jbr n ASP 254 N -2.55 2.14 -4.74 -2.05 8.00 -1.26 -4.98 116.55 111.12 2jbr n ASP 254 Ca 0.01 -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 41.50 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 -2.23 6.80 0.00 -2.24 0.15 -0.70 -4.92 113.70 110.56 2jbr s SER 255 Ca 0.26 2.49 0.26 0.00 0.70 0.00 0.00 55.95 59.66 2jbr s SER 255 Cb 0.19 -2.61 0.85 0.00 -1.71 0.00 0.00 66.02 62.74 2jbr s SER 255 CO 0.43 -0.61 1.63 0.29 1.20 0.00 0.00 173.24 176.18 2jbr n LYS 256 N 2.71 1.80 0.00 5.44 5.02 -1.26 -4.52 118.16 127.35 2jbr n LYS 256 Ca 0.07 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.18 2jbr n LYS 256 Cb 0.42 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.42 0.00 0.48 -0.18 -5.35 -1.26 -3.05 119.36 110.41 2jbr n ILE 257 Ca 0.18 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.78 2jbr n ILE 257 Cb 0.39 0.10 0.15 0.00 -1.74 0.00 0.00 39.64 38.55 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 -1.49 4.28 0.04 -1.88 -3.39 116.94 114.50 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 -0.15 0.00 2.20 0.00 0.00 35.95 38.13 2jbr h PHE 258 CO 0.00 0.00 1.93 0.66 -0.60 0.00 0.00 178.31 180.30 2jbr n TYR 259 N -2.27 3.31 -3.54 -0.55 4.01 -1.26 -4.87 117.16 111.99 2jbr n TYR 259 Ca 0.03 -2.89 -0.09 0.00 -0.16 0.00 0.00 57.90 54.78 2jbr n TYR 259 Cb 0.46 -2.00 -0.03 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 0.66 0.00 0.39 -0.72 -1.32 -1.26 -4.14 115.64 109.25 2jbr s THR 260 Ca 0.40 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.61 2jbr s THR 260 Cb 0.08 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.96 2jbr s THR 260 CO 0.00 0.00 1.45 -2.65 -2.21 0.00 0.00 174.62 171.21 2jbr n PRO 261 N 0.20 2.50 -0.14 7.08 -0.02 -1.26 -4.82 135.00 138.55 2jbr n PRO 261 Ca -0.09 0.88 -0.12 0.00 -2.02 0.00 0.00 63.50 62.15 2jbr n PRO 261 Cb 0.60 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 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 2.72 0.97 -0.45 6.00 -0.00 -1.35 -3.37 116.97 121.50 2jbr h TYR 262 Ca -0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 58.73 57.98 2jbr h TYR 262 Cb 1.25 -0.23 -0.02 0.00 0.00 0.00 0.00 36.73 37.74 2jbr h TYR 262 CO 0.52 1.00 0.23 -0.09 -0.00 0.00 0.00 178.16 179.83 2jbr h ARG 263 N 0.66 0.64 -0.50 0.10 2.43 -1.92 -1.14 114.38 114.65 2jbr h ARG 263 Ca 0.09 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2jbr h ARG 263 Cb 0.74 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2jbr h ARG 263 CO 0.06 0.52 0.34 -1.35 -1.51 0.00 0.00 179.97 178.03 2jbr h PRO 264 N 0.59 0.35 0.03 0.20 0.11 -1.96 -1.04 132.00 130.29 2jbr h PRO 264 Ca 0.16 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.08 2jbr h PRO 264 Cb 0.08 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.12 2jbr h PRO 264 CO -0.02 0.23 -0.66 1.88 -0.21 0.00 0.00 178.00 179.22 2jbr h TYR 265 N 0.37 0.61 -0.49 0.65 -1.99 -1.60 -2.91 116.97 111.60 2jbr h TYR 265 Ca 0.22 -0.35 0.10 0.00 2.00 0.00 0.00 58.73 60.70 2jbr h TYR 265 Cb 0.41 -0.06 -0.10 0.00 2.00 0.00 0.00 36.73 38.99 2jbr h TYR 265 CO -0.00 1.19 -0.15 0.35 -0.00 0.00 0.00 178.16 179.55 2jbr h PHE 266 N -0.15 -0.34 -0.55 4.88 3.57 -0.80 -2.81 116.94 120.74 2jbr h PHE 266 Ca -0.09 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2jbr h PHE 266 Cb 1.40 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.36 2jbr h PHE 266 CO 0.16 -0.24 0.00 0.00 -2.23 0.00 0.00 178.31 176.00 2jbr n ALA 267 N -2.89 2.41 0.29 2.41 0.00 -0.43 -4.42 120.51 117.88 2jbr n ALA 267 Ca 0.04 -1.03 0.18 0.00 0.00 0.00 0.00 53.44 52.62 2jbr n ALA 267 Cb 0.28 -0.95 0.83 0.00 0.00 0.00 0.00 19.45 19.62 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 3.71 0.00 1.65 0.00 4.64 -1.28 -3.21 113.55 119.07 2jbr h SER 268 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2jbr h SER 268 Cb 0.84 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 2jbr h SER 268 CO 0.00 0.03 -0.35 1.23 -0.87 0.00 0.00 176.83 176.88 2jbr h GLY 269 N 1.26 0.00 0.99 -0.77 0.00 -1.81 -3.24 103.07 99.50 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 0.00 0.00 0.12 0.74 0.00 0.00 0.00 176.54 177.41 2jbr h PHE 270 N 0.00 0.25 0.00 5.60 0.04 -1.90 -0.05 116.94 120.87 2jbr h PHE 270 Ca -0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 2jbr h PHE 270 Cb 1.26 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 2jbr h PHE 270 CO 0.00 0.18 -0.85 0.66 -0.60 0.00 0.00 178.31 177.69 2jbr h SER 271 N 0.24 0.08 -0.41 2.17 4.64 -1.80 -2.47 113.55 116.01 2jbr h SER 271 Ca 0.07 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jbr h SER 271 Cb -0.00 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2jbr h SER 271 CO -0.01 0.89 0.26 0.00 -0.87 0.00 0.00 176.83 177.10 2jbr h ALA 272 N 1.10 0.52 -0.56 5.18 0.00 -1.53 -0.03 119.26 123.95 2jbr h ALA 272 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jbr h ALA 272 Cb 1.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2jbr h ALA 272 CO 0.12 0.01 0.36 0.28 0.00 0.00 0.00 179.25 180.01 2jbr h VAL 273 N 0.55 1.12 -0.26 0.00 2.07 -0.98 -1.50 116.25 117.24 2jbr h VAL 273 Ca 0.15 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2jbr h VAL 273 Cb -0.02 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2jbr h VAL 273 CO -0.03 0.13 0.07 -1.28 0.02 0.00 0.00 177.57 176.48 2jbr h SER 274 N 0.73 0.05 -0.73 0.57 0.87 -1.17 -0.93 113.55 112.94 2jbr h SER 274 Ca 0.21 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2jbr h SER 274 Cb -0.06 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 2jbr h SER 274 CO -0.06 0.06 0.48 0.25 -0.53 0.00 0.00 176.83 177.03 2jbr h LEU 275 N 0.18 0.82 -0.58 2.23 5.85 -0.77 -1.47 115.31 121.57 2jbr h LEU 275 Ca 0.12 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2jbr h LEU 275 Cb 0.11 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2jbr h LEU 275 CO -0.14 0.59 0.01 1.23 -0.34 0.00 0.00 178.44 179.79 2jbr h GLY 276 N 0.97 1.10 0.99 3.75 0.00 -0.92 -0.43 103.07 108.53 2jbr h GLY 276 Ca 0.27 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2jbr h GLY 276 CO -0.07 0.73 0.15 -2.22 0.00 0.00 0.00 176.54 175.13 2jbr h ILE 277 N 0.91 1.07 -0.54 2.60 2.04 -1.03 -1.78 117.51 120.78 2jbr h ILE 277 Ca 0.17 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 2jbr h ILE 277 Cb 0.53 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2jbr h ILE 277 CO 0.03 0.07 0.11 0.00 0.00 0.00 0.00 178.15 178.36 2jbr h ALA 278 N 1.07 0.71 -0.50 1.87 0.00 -0.99 0.23 119.26 121.66 2jbr h ALA 278 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2jbr h ALA 278 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jbr h ALA 278 CO -0.02 0.43 -0.03 0.93 0.00 0.00 0.00 179.25 180.57 2jbr h GLU 279 N 0.77 0.85 -0.41 0.00 5.08 -1.09 -2.42 114.58 117.37 2jbr h GLU 279 Ca 0.17 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2jbr h GLU 279 Cb 0.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2jbr h GLU 279 CO 0.01 0.87 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.66 2jbr h ARG 280 N 0.78 0.82 -0.88 2.33 9.65 -0.98 -2.97 114.38 123.13 2jbr h ARG 280 Ca 0.14 -0.33 0.10 0.00 -1.10 0.00 0.00 59.98 58.79 2jbr h ARG 280 Cb 0.51 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.98 2jbr h ARG 280 CO 0.03 0.96 0.52 1.98 2.80 0.00 0.00 179.97 186.25 2jbr h MET 281 N 0.64 0.83 -0.31 0.20 4.05 -0.34 0.34 114.93 120.34 2jbr h MET 281 Ca 0.10 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2jbr h MET 281 Cb 0.68 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2jbr h MET 281 CO 0.05 0.55 0.16 0.82 0.23 0.00 0.00 176.91 178.72 2jbr h ILE 282 N 0.86 1.14 -0.13 1.77 2.04 -1.41 0.78 117.51 122.56 2jbr h ILE 282 Ca 0.42 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2jbr h ILE 282 Cb 0.38 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2jbr h ILE 282 CO -0.25 0.15 0.04 -0.33 0.00 0.00 0.00 178.15 177.75 2jbr h GLU 283 N 0.37 0.20 -0.68 2.37 4.39 -1.19 -1.26 114.58 118.78 2jbr h GLU 283 Ca 0.11 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2jbr h GLU 283 Cb 0.09 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2jbr h GLU 283 CO -0.02 0.34 0.41 0.00 -1.16 0.00 0.00 179.01 178.59 2jbr h ALA 284 N 0.85 0.86 -0.61 3.43 0.00 -0.26 -1.41 119.26 122.12 2jbr h ALA 284 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2jbr h ALA 284 Cb 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2jbr h ALA 284 CO -0.00 0.33 0.17 0.35 0.00 0.00 0.00 179.25 180.11 2jbr h PHE 285 N 0.92 1.01 -0.82 0.00 3.57 -0.77 -2.06 116.94 118.78 2jbr h PHE 285 Ca 0.24 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2jbr h PHE 285 Cb -0.03 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.38 2jbr h PHE 285 CO -0.02 0.84 0.49 0.87 -2.23 0.00 0.00 178.31 178.26 2jbr h LYS 286 N 0.89 1.12 -0.26 1.11 1.57 -0.95 -0.92 116.57 119.14 2jbr h LYS 286 Ca 0.20 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2jbr h LYS 286 Cb 0.32 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jbr h LYS 286 CO -0.00 0.80 0.13 0.93 -0.57 0.00 0.00 179.45 180.73 2jbr h GLU 287 N 1.13 0.36 -0.00 3.15 5.08 -1.02 -2.91 114.58 120.37 2jbr h GLU 287 Ca 0.29 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2jbr h GLU 287 Cb -0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2jbr h GLU 287 CO -0.05 0.34 -0.48 0.87 -1.00 0.00 0.00 179.01 178.69 2jbr h LYS 288 N 0.29 0.01 -0.16 2.33 6.56 -1.24 -3.28 116.57 121.07 2jbr h LYS 288 Ca 0.09 -0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.50 2jbr h LYS 288 Cb 0.09 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.75 2jbr h LYS 288 CO -0.01 0.48 -0.64 0.37 -2.06 0.00 0.00 179.45 177.59 2jbr h GLN 289 N 0.00 0.59 -0.87 3.15 5.75 -0.98 -3.31 115.11 119.45 2jbr h GLN 289 Ca -0.00 -0.42 0.21 0.00 -0.15 0.00 0.00 58.65 58.28 2jbr h GLN 289 Cb 0.85 0.07 -0.16 0.00 1.07 0.00 0.00 27.48 29.31 2jbr h GLN 289 CO 0.06 1.04 -0.04 0.00 -2.65 0.00 0.00 178.83 177.24 2jbr h ARG 290 N 0.43 0.05 -0.56 1.69 3.08 -1.58 -1.79 114.38 115.70 2jbr h ARG 290 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jbr h ARG 290 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2jbr h ARG 290 CO 0.12 0.03 0.00 0.27 -1.07 0.00 0.00 179.97 179.32 2jbr n ASN 291 N -5.44 3.67 -4.69 7.04 0.23 -1.25 -4.50 115.26 110.32 2jbr n ASN 291 Ca 0.17 -2.10 -0.44 0.00 -0.53 0.00 0.00 54.58 51.69 2jbr n ASN 291 Cb 0.56 -0.41 -0.03 0.00 -2.08 0.00 0.00 39.78 37.82 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 1.07 2.63 -4.64 -3.83 3.00 -0.67 -4.90 116.66 109.32 2jbr n ARG 292 Ca 0.20 0.96 -0.30 0.00 -0.00 0.00 0.00 57.85 58.71 2jbr n ARG 292 Cb 0.59 -2.83 -0.13 0.00 0.00 0.00 0.00 32.46 30.09 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 2.54 2.35 -0.07 5.15 -7.23 -1.26 -0.68 120.40 121.20 2jbr s VAL 293 Ca 0.82 -1.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 2jbr s VAL 293 Cb -0.53 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2jbr s VAL 293 CO 0.39 0.25 1.09 -0.13 -0.31 0.00 0.00 175.10 176.38 2jbr s ARG 294 N -1.63 4.41 0.28 4.82 1.81 -0.12 -4.93 118.95 123.59 2jbr s ARG 294 Ca 0.14 1.52 0.02 0.00 -1.72 0.00 0.00 55.73 55.68 2jbr s ARG 294 Cb -0.10 -3.53 0.42 0.00 -0.45 0.00 0.00 34.95 31.28 2jbr s ARG 294 CO 0.05 -0.34 1.73 0.00 -0.68 0.00 0.00 175.30 176.05 2jbr h ALA 295 N 7.20 1.12 0.06 2.13 0.00 -1.98 0.90 119.26 128.69 2jbr h ALA 295 Ca -0.33 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.01 2jbr h ALA 295 Cb 1.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2jbr h ALA 295 CO 0.86 0.55 -1.08 1.88 0.00 0.00 0.00 179.25 181.46 2jbr h TYR 296 N 0.44 0.38 0.00 0.00 0.05 -1.99 -3.39 116.97 112.46 2jbr h TYR 296 Ca 0.07 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.60 2jbr h TYR 296 Cb 0.64 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2jbr h TYR 296 CO 0.02 1.15 -1.11 0.25 -1.05 0.00 0.00 178.16 177.42 2jbr n THR 297 N -3.56 0.00 -1.91 -2.88 -2.24 -1.22 -5.03 114.28 97.45 2jbr n THR 297 Ca -0.06 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 2jbr n THR 297 Cb 0.94 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 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 2.21 0.28 3.80 3.38 0.00 0.31 -5.02 105.19 110.15 2jbr n GLY 298 Ca -0.01 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.29 3.73 -0.05 4.61 0.00 -1.25 -4.83 121.76 121.69 2jbr s ALA 299 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 2jbr s ALA 299 Cb 0.00 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 2jbr s ALA 299 CO 0.00 0.35 1.41 1.21 0.00 0.00 0.00 175.76 178.73 2jbr s ASN 300 N -0.31 6.84 0.00 0.00 3.84 -1.26 -0.95 114.94 123.10 2jbr s ASN 300 Ca 0.15 2.04 0.00 0.00 0.21 0.00 0.00 52.86 55.25 2jbr s ASN 300 Cb -0.13 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 2jbr s ASN 300 CO 0.04 -0.76 0.07 0.52 -2.79 0.00 0.00 177.10 174.18 2jbr n VAL 301 N 4.96 0.00 -0.26 -5.21 0.31 0.14 -4.84 118.33 113.44 2jbr n VAL 301 Ca 0.14 -0.08 0.13 0.00 -0.01 0.00 0.00 64.34 64.52 2jbr n VAL 301 Cb 0.44 1.75 0.40 0.00 -0.91 0.00 0.00 33.84 35.52 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 1.13 -3.50 2.92 0.00 -1.59 -2.08 103.07 99.95 2jbr h GLY 302 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 47.33 46.82 2jbr h GLY 302 CO 0.00 0.08 0.28 1.04 0.00 0.00 0.00 176.54 177.93 2jbr n LEU 303 N -4.55 5.94 -4.77 3.11 4.77 -1.26 -4.68 117.00 115.55 2jbr n LEU 303 Ca 0.17 -3.29 -0.35 0.00 -0.03 0.00 0.00 56.01 52.51 2jbr n LEU 303 Cb 0.49 -0.74 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 2jbr n LEU 303 CO 0.30 0.86 0.80 0.00 -1.33 0.00 0.00 177.39 178.01 2jbr s ALA 304 N -3.04 2.70 0.15 -1.18 0.00 -0.79 -4.86 121.76 114.75 2jbr s ALA 304 Ca 0.54 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 53.21 2jbr s ALA 304 Cb 0.44 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 20.24 2jbr s ALA 304 CO 0.12 -0.83 1.69 1.15 0.00 0.00 0.00 175.76 177.89 2jbr h THR 305 N 1.23 0.69 -0.87 0.00 2.02 -1.94 -2.27 112.91 111.76 2jbr h THR 305 Ca -0.50 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 66.76 2jbr h THR 305 Cb 1.27 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 68.26 2jbr h THR 305 CO 0.57 0.01 0.52 -0.65 0.37 0.00 0.00 175.52 176.34 2jbr h PRO 306 N 0.04 0.86 -0.48 6.66 0.11 -1.98 -1.70 132.00 135.50 2jbr h PRO 306 Ca 0.16 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 2jbr h PRO 306 Cb 0.24 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2jbr h PRO 306 CO -0.32 0.57 -0.14 0.00 -0.21 0.00 0.00 178.00 177.90 2jbr h ALA 307 N 1.46 0.86 -0.81 -0.75 0.00 -1.84 -2.24 119.26 115.95 2jbr h ALA 307 Ca 0.41 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jbr h ALA 307 Cb 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2jbr h ALA 307 CO -0.23 0.64 0.36 -0.07 0.00 0.00 0.00 179.25 179.95 2jbr h LEU 308 N 0.80 1.08 -0.44 0.00 3.38 -0.86 -1.69 115.31 117.58 2jbr h LEU 308 Ca 0.12 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2jbr h LEU 308 Cb 0.67 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jbr h LEU 308 CO 0.05 0.93 -0.60 0.24 0.09 0.00 0.00 178.44 179.15 2jbr h MET 309 N 1.16 0.59 -0.52 1.13 2.86 -1.23 -1.21 114.93 117.71 2jbr h MET 309 Ca 0.27 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2jbr h MET 309 Cb 0.16 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2jbr h MET 309 CO -0.03 1.02 0.19 0.00 1.06 0.00 0.00 176.91 179.15 2jbr h ARG 310 N 0.44 0.79 -0.52 1.72 3.08 -1.30 -0.01 114.38 118.58 2jbr h ARG 310 Ca -0.00 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.91 2jbr h ARG 310 Cb 1.17 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 2jbr h ARG 310 CO 0.12 0.71 0.33 0.82 -1.07 0.00 0.00 179.97 180.87 2jbr h ILE 311 N 0.70 1.09 -0.27 2.04 2.04 -1.18 -0.78 117.51 121.15 2jbr h ILE 311 Ca 0.17 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2jbr h ILE 311 Cb 0.23 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2jbr h ILE 311 CO -0.01 0.12 0.03 0.00 0.00 0.00 0.00 178.15 178.29 2jbr h ALA 312 N 1.21 0.36 -0.47 1.87 0.00 -1.07 -1.37 119.26 119.79 2jbr h ALA 312 Ca 0.20 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2jbr h ALA 312 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jbr h ALA 312 CO -0.07 0.06 -0.18 1.49 0.00 0.00 0.00 179.25 180.56 2jbr h GLU 313 N 0.26 0.95 -0.26 0.00 4.81 -0.86 0.12 114.58 119.60 2jbr h GLU 313 Ca 0.08 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 2jbr h GLU 313 Cb 0.36 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2jbr h GLU 313 CO 0.01 1.06 -0.20 0.77 -0.73 0.00 0.00 179.01 179.92 2jbr h SER 314 N 0.80 0.45 -0.12 1.04 0.02 -1.19 0.15 113.55 114.70 2jbr h SER 314 Ca 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2jbr h SER 314 Cb 0.75 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2jbr h SER 314 CO 0.06 0.66 0.05 0.74 -1.14 0.00 0.00 176.83 177.20 2jbr h THR 315 N 0.42 1.14 -0.34 -2.27 2.02 -0.84 -1.60 112.91 111.43 2jbr h THR 315 Ca 0.07 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2jbr h THR 315 Cb 0.58 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2jbr h THR 315 CO 0.04 0.13 0.22 0.45 0.37 0.00 0.00 175.52 176.73 2jbr h HIS 316 N 0.04 0.44 -0.44 3.16 -0.00 -0.55 -1.03 115.15 116.77 2jbr h HIS 316 Ca 0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2jbr h HIS 316 Cb 0.16 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 2jbr h HIS 316 CO -0.02 0.29 0.23 0.37 -0.00 0.00 0.00 177.93 178.80 2jbr h GLN 317 N 0.46 0.62 0.00 2.45 4.15 -0.65 -0.49 115.11 121.64 2jbr h GLN 317 Ca 0.13 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 2jbr h GLN 317 Cb -0.04 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 2jbr h GLN 317 CO -0.03 0.50 -0.38 -0.39 -1.93 0.00 0.00 178.83 176.61 2jbr h VAL 318 N 0.57 0.72 -0.63 2.39 -1.51 -1.27 -1.72 116.25 114.81 2jbr h VAL 318 Ca 0.15 -1.75 -0.07 0.00 -1.23 0.00 0.00 66.70 63.80 2jbr h VAL 318 Cb 0.07 2.16 -0.03 0.00 -2.13 0.00 0.00 31.29 31.36 2jbr h VAL 318 CO -0.02 0.37 0.11 0.00 -1.23 0.00 0.00 177.57 176.80 2jbr h ALA 319 N 1.62 1.00 -0.18 5.19 0.00 -0.89 0.16 119.26 126.16 2jbr h ALA 319 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2jbr h ALA 319 Cb 1.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2jbr h ALA 319 CO 0.05 0.64 -0.49 0.00 0.00 0.00 0.00 179.25 179.44 2jbr h ALA 320 N 1.15 0.81 -0.35 0.00 0.00 -0.98 -0.52 119.26 119.38 2jbr h ALA 320 Ca 0.20 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2jbr h ALA 320 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jbr h ALA 320 CO 0.01 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.85 2jbr h ALA 321 N 1.09 0.48 -0.10 0.00 0.00 -1.05 -1.19 119.26 118.49 2jbr h ALA 321 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jbr h ALA 321 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2jbr h ALA 321 CO 0.09 0.32 0.06 -0.09 0.00 0.00 0.00 179.25 179.64 2jbr h ARG 322 N 0.47 0.13 -0.65 0.00 2.43 -0.63 -0.84 114.38 115.29 2jbr h ARG 322 Ca 0.09 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2jbr h ARG 322 Cb 0.58 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 2jbr h ARG 322 CO 0.03 0.08 0.32 0.00 -1.51 0.00 0.00 179.97 178.90 2jbr h ALA 323 N 1.04 0.87 -0.47 2.80 0.00 -1.03 0.29 119.26 122.77 2jbr h ALA 323 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jbr h ALA 323 Cb -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jbr h ALA 323 CO -0.02 -0.05 0.15 1.25 0.00 0.00 0.00 179.25 180.58 2jbr h LEU 324 N 0.58 0.68 -0.45 0.00 5.85 -1.01 -1.78 115.31 119.18 2jbr h LEU 324 Ca 0.31 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2jbr h LEU 324 Cb 0.29 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2jbr h LEU 324 CO -0.24 0.70 0.02 -0.07 -0.34 0.00 0.00 178.44 178.51 2jbr h LEU 325 N 0.62 0.76 -0.68 2.25 3.38 -0.66 -1.43 115.31 119.55 2jbr h LEU 325 Ca 0.15 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2jbr h LEU 325 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jbr h LEU 325 CO -0.01 0.87 0.36 -0.33 0.09 0.00 0.00 178.44 179.42 2jbr h GLU 326 N 0.63 0.97 -0.65 1.13 5.08 -0.36 0.21 114.58 121.59 2jbr h GLU 326 Ca 0.13 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2jbr h GLU 326 Cb 0.47 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2jbr h GLU 326 CO 0.02 0.74 0.21 -0.22 -1.00 0.00 0.00 179.01 178.77 2jbr h LYS 327 N 0.94 1.00 -0.40 2.33 3.64 -1.26 -1.46 116.57 121.37 2jbr h LYS 327 Ca 0.24 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2jbr h LYS 327 Cb 0.07 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2jbr h LYS 327 CO -0.03 0.87 -0.02 1.15 -2.27 0.00 0.00 179.45 179.15 2jbr h THR 328 N 0.93 1.26 -0.67 1.00 2.02 -0.81 -1.77 112.91 114.87 2jbr h THR 328 Ca 0.21 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 2jbr h THR 328 Cb 0.28 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2jbr h THR 328 CO -0.01 0.35 0.27 -0.50 0.37 0.00 0.00 175.52 176.01 2jbr h TRP 329 N 0.53 1.00 -0.62 3.16 6.55 -0.52 -1.73 115.95 124.33 2jbr h TRP 329 Ca 0.11 -0.06 -0.03 0.00 0.95 0.00 0.00 58.89 59.86 2jbr h TRP 329 Cb 0.50 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 28.47 2jbr h TRP 329 CO 0.04 0.76 0.27 1.49 -1.05 0.00 0.00 178.44 179.95 2jbr h GLU 330 N 0.97 0.90 -0.76 0.49 4.57 -1.15 -0.46 114.58 119.15 2jbr h GLU 330 Ca 0.23 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2jbr h GLU 330 Cb 0.18 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 2jbr h GLU 330 CO -0.02 0.75 0.48 0.22 -1.18 0.00 0.00 179.01 179.26 2jbr h ASP 331 N 0.85 0.80 -0.24 1.04 3.58 -0.89 -0.13 116.42 121.43 2jbr h ASP 331 Ca 0.21 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.66 2jbr h ASP 331 Cb 0.16 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2jbr h ASP 331 CO -0.02 0.55 0.14 0.45 -2.88 0.00 0.00 179.24 177.48 2jbr h HIS 332 N 0.94 0.26 -0.28 0.28 3.86 -1.05 -2.16 115.15 117.01 2jbr h HIS 332 Ca 0.30 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.52 2jbr h HIS 332 Cb 0.00 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2jbr h HIS 332 CO -0.03 0.15 0.18 -0.09 0.86 0.00 0.00 177.93 179.00 2jbr h ARG 333 N 0.29 0.35 -0.45 2.45 2.43 -0.55 -1.47 114.38 117.44 2jbr h ARG 333 Ca 0.09 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2jbr h ARG 333 Cb -0.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2jbr h ARG 333 CO -0.05 0.23 0.30 0.82 -1.51 0.00 0.00 179.97 179.76 2jbr h ILE 334 N 0.36 1.11 -0.67 1.20 2.04 -1.03 -1.34 117.51 119.18 2jbr h ILE 334 Ca 0.11 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2jbr h ILE 334 Cb -0.03 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2jbr h ILE 334 CO -0.03 0.11 0.38 0.45 0.00 0.00 0.00 178.15 179.05 2jbr h HIS 335 N 0.61 0.92 -0.44 1.37 3.86 -1.16 -2.48 115.15 117.83 2jbr h HIS 335 Ca 0.17 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.24 2jbr h HIS 335 Cb -0.07 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 2jbr h HIS 335 CO -0.05 0.65 -0.20 0.78 0.86 0.00 0.00 177.93 179.97 2jbr h GLY 336 N 0.92 0.94 0.75 2.45 0.00 -1.13 0.19 103.07 107.19 2jbr h GLY 336 Ca 0.24 -0.80 0.05 0.00 0.00 0.00 0.00 47.33 46.81 2jbr h GLY 336 CO -0.04 0.73 0.36 1.41 0.00 0.00 0.00 176.54 179.00 2jbr h LEU 337 N 0.76 0.55 -0.74 3.11 3.38 -1.09 -2.69 115.31 118.59 2jbr h LEU 337 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jbr h LEU 337 Cb 0.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2jbr h LEU 337 CO 0.06 0.37 0.00 0.59 0.09 0.00 0.00 178.44 179.55 2jbr n ASN 338 N -4.78 1.13 -2.92 -0.43 3.02 -0.95 -4.91 115.26 105.43 2jbr n ASN 338 Ca 0.07 -1.46 -0.21 0.00 -0.03 0.00 0.00 54.58 52.96 2jbr n ASN 338 Cb 0.14 -0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.09 -1.70 -3.60 3.10 8.25 -0.87 -4.95 115.22 115.36 2jbr n HIS 339 Ca 0.19 0.35 -0.39 0.00 -0.26 0.00 0.00 57.72 57.61 2jbr n HIS 339 Cb 0.28 -3.82 -0.11 0.00 1.12 0.00 0.00 29.99 27.46 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 -5.58 3.56 0.09 -0.41 0.74 0.62 -4.94 119.66 113.74 2jbr s GLN 340 Ca 0.23 -0.58 -0.30 0.00 0.05 0.00 0.00 55.36 54.76 2jbr s GLN 340 Cb -0.11 -3.65 -0.06 0.00 1.10 0.00 0.00 33.01 30.29 2jbr s GLN 340 CO 0.29 -0.35 1.09 0.71 -0.55 0.00 0.00 175.29 176.47 2jbr s TYR 341 N 1.68 3.59 0.52 1.67 1.51 -1.26 -4.52 117.35 120.53 2jbr s TYR 341 Ca 0.06 1.55 -0.21 0.00 -1.01 0.00 0.00 57.07 57.46 2jbr s TYR 341 Cb -0.17 -3.26 -0.06 0.00 -0.11 0.00 0.00 41.96 38.37 2jbr s TYR 341 CO 0.09 -0.59 1.21 -1.25 -1.11 0.00 0.00 175.55 173.90 2jbr s PRO 342 N 0.45 3.40 1.10 -1.71 0.04 -1.26 -5.04 135.00 131.97 2jbr s PRO 342 Ca 0.53 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 2jbr s PRO 342 Cb -0.27 -2.21 0.25 0.00 0.04 0.00 0.00 34.50 32.31 2jbr s PRO 342 CO 0.31 -0.87 1.18 0.54 0.04 0.00 0.00 177.00 178.20 2jbr s ASN 343 N -1.39 1.84 0.20 6.66 6.03 -1.26 -4.79 114.94 122.23 2jbr s ASN 343 Ca 0.70 0.56 -0.11 0.00 -1.03 0.00 0.00 52.86 52.98 2jbr s ASN 343 Cb -0.31 -0.78 0.18 0.00 -3.03 0.00 0.00 41.25 37.31 2jbr s ASN 343 CO 0.36 -3.55 1.83 0.11 -2.03 0.00 0.00 177.10 173.82 2jbr h LYS 344 N -2.19 0.72 -0.07 3.55 1.79 -1.99 -1.97 116.57 116.41 2jbr h LYS 344 Ca -0.45 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2jbr h LYS 344 Cb 1.28 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2jbr h LYS 344 CO 0.38 0.48 0.03 1.49 -1.08 0.00 0.00 179.45 180.75 2jbr h GLU 345 N 0.74 0.10 -0.17 3.15 4.81 -1.96 -1.80 114.58 119.46 2jbr h GLU 345 Ca 0.27 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2jbr h GLU 345 Cb 0.07 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2jbr h GLU 345 CO -0.13 0.22 -0.35 0.00 -0.73 0.00 0.00 179.01 178.03 2jbr h THR 346 N -0.04 1.29 -0.48 0.32 1.03 -1.91 -2.46 112.91 110.65 2jbr h THR 346 Ca 0.02 -1.40 0.00 0.00 -0.01 0.00 0.00 66.41 65.02 2jbr h THR 346 Cb 0.16 1.54 -0.02 0.00 -1.07 0.00 0.00 68.15 68.76 2jbr h THR 346 CO -0.00 0.43 0.32 0.25 -0.01 0.00 0.00 175.52 176.50 2jbr h LEU 347 N 0.30 0.56 -1.08 0.00 5.85 -1.26 0.14 115.31 119.82 2jbr h LEU 347 Ca 0.04 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2jbr h LEU 347 Cb 0.75 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2jbr h LEU 347 CO 0.06 0.41 0.42 0.00 -0.34 0.00 0.00 178.44 179.00 2jbr h ALA 348 N 1.17 1.30 -0.33 1.25 0.00 -1.11 0.10 119.26 121.64 2jbr h ALA 348 Ca 0.18 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2jbr h ALA 348 Cb -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2jbr h ALA 348 CO -0.04 0.57 -0.24 0.74 0.00 0.00 0.00 179.25 180.28 2jbr h PHE 349 N 1.07 0.88 -0.79 0.00 -1.00 -1.02 -2.22 116.94 113.86 2jbr h PHE 349 Ca 0.27 -0.24 0.01 0.00 2.81 0.00 0.00 57.97 60.82 2jbr h PHE 349 Cb 0.02 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.35 2jbr h PHE 349 CO 0.01 0.99 0.52 -1.49 -1.61 0.00 0.00 178.31 176.73 2jbr h TRP 350 N 0.51 0.98 -0.64 -0.55 4.06 -0.43 0.10 115.95 119.99 2jbr h TRP 350 Ca 0.06 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.96 2jbr h TRP 350 Cb 0.81 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.61 2jbr h TRP 350 CO 0.07 0.61 0.11 -0.09 -3.56 0.00 0.00 178.44 175.58 2jbr h ARG 351 N 1.06 1.04 0.00 0.49 9.65 -0.96 -3.39 114.38 122.27 2jbr h ARG 351 Ca 0.29 -0.26 -0.24 0.00 -1.10 0.00 0.00 59.98 58.67 2jbr h ARG 351 Cb -0.10 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.30 2jbr h ARG 351 CO -0.07 0.95 -1.92 0.25 2.80 0.00 0.00 179.97 181.98 2jbr n THR 352 N -4.22 0.91 -0.28 0.20 -2.24 -0.84 -4.57 114.28 103.25 2jbr n THR 352 Ca 0.04 -0.57 0.03 0.00 -2.27 0.00 0.00 64.05 61.28 2jbr n THR 352 Cb 0.28 -0.63 0.17 0.00 -2.10 0.00 0.00 70.33 68.05 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 0.61 -0.30 3.42 2.35 -0.98 -0.98 115.58 119.69 2jbr h ASN 353 Ca -0.36 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 2jbr h ASN 353 Cb 1.82 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 40.12 2jbr h ASN 353 CO 0.02 0.34 0.17 0.06 -1.65 0.00 0.00 177.43 176.37 2jbr h GLN 354 N 0.73 0.44 -0.12 0.81 -0.00 -1.80 -0.72 115.11 114.45 2jbr h GLN 354 Ca 0.39 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.65 58.82 2jbr h GLN 354 Cb 0.40 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 27.78 2jbr h GLN 354 CO -0.27 0.33 -0.68 0.00 -0.00 0.00 0.00 178.83 178.21 2jbr h ALA 355 N 1.75 0.59 -0.46 0.06 0.00 -1.44 -1.27 119.26 118.48 2jbr h ALA 355 Ca 0.12 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2jbr h ALA 355 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jbr h ALA 355 CO -0.02 0.73 0.07 -0.92 0.00 0.00 0.00 179.25 179.11 2jbr h TYR 356 N 0.35 0.81 -0.76 0.00 3.20 -0.98 -1.90 116.97 117.69 2jbr h TYR 356 Ca -0.02 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.76 2jbr h TYR 356 Cb 1.26 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 2jbr h TYR 356 CO 0.05 0.77 0.48 0.00 -1.64 0.00 0.00 178.16 177.82 2jbr h ALA 357 N 0.95 0.99 -0.47 1.82 0.00 -1.06 -0.94 119.26 120.56 2jbr h ALA 357 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jbr h ALA 357 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2jbr h ALA 357 CO 0.01 0.29 0.28 0.28 0.00 0.00 0.00 179.25 180.12 2jbr h VAL 358 N 0.95 1.06 -0.98 0.00 2.07 -1.14 -1.08 116.25 117.13 2jbr h VAL 358 Ca 0.30 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.64 2jbr h VAL 358 Cb 0.00 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2jbr h VAL 358 CO -0.11 0.10 0.65 0.50 0.02 0.00 0.00 177.57 178.74 2jbr h LYS 359 N 0.57 1.28 -0.46 1.57 3.64 -0.86 -1.18 116.57 121.12 2jbr h LYS 359 Ca 0.19 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2jbr h LYS 359 Cb 0.00 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 2jbr h LYS 359 CO -0.08 0.85 -0.04 0.52 -2.27 0.00 0.00 179.45 178.42 2jbr h MET 360 N 1.32 0.85 -0.74 1.90 2.86 -0.96 -2.56 114.93 117.60 2jbr h MET 360 Ca 0.37 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2jbr h MET 360 Cb -0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 2jbr h MET 360 CO -0.09 0.92 0.24 0.00 1.06 0.00 0.00 176.91 179.05 2jbr h ILE 362 N 1.08 1.27 -0.60 0.00 2.04 -1.25 -1.05 117.51 119.01 2jbr h ILE 362 Ca 0.24 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.98 2jbr h ILE 362 Cb 0.29 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 2jbr h ILE 362 CO -0.01 0.41 0.28 -0.33 0.00 0.00 0.00 178.15 178.50 2jbr h GLU 363 N 0.69 0.51 -0.53 2.37 5.08 -1.26 0.95 114.58 122.38 2jbr h GLU 363 Ca 0.12 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 2jbr h GLU 363 Cb 0.62 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2jbr h GLU 363 CO 0.04 0.34 -0.12 0.00 -1.00 0.00 0.00 179.01 178.26 2jbr h ALA 364 N 1.35 0.78 -0.48 3.43 0.00 -1.03 -0.20 119.26 123.12 2jbr h ALA 364 Ca 0.28 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2jbr h ALA 364 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2jbr h ALA 364 CO -0.22 0.67 0.15 0.28 0.00 0.00 0.00 179.25 180.13 2jbr h VAL 365 N 0.89 1.22 -0.34 0.00 2.07 -0.99 -3.18 116.25 115.93 2jbr h VAL 365 Ca 0.14 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 2jbr h VAL 365 Cb 0.69 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2jbr h VAL 365 CO 0.05 0.27 -0.20 0.44 0.02 0.00 0.00 177.57 178.15 2jbr h ASP 366 N 0.64 0.64 -0.20 0.57 3.32 -0.52 -0.38 116.42 120.47 2jbr h ASP 366 Ca 0.15 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2jbr h ASP 366 Cb 0.26 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2jbr h ASP 366 CO -0.01 0.84 0.05 -0.09 -1.72 0.00 0.00 179.24 178.32 2jbr h ARG 367 N 0.56 0.41 0.15 3.56 2.43 -1.04 -1.19 114.38 119.26 2jbr h ARG 367 Ca 0.09 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 58.90 2jbr h ARG 367 Cb 0.66 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2jbr h ARG 367 CO 0.05 0.39 -1.46 -0.07 -1.51 0.00 0.00 179.97 177.37 2jbr h LEU 368 N 0.40 0.50 -1.64 3.80 3.38 -1.47 -3.33 115.31 116.96 2jbr h LEU 368 Ca 0.10 -0.90 0.05 0.00 0.09 0.00 0.00 57.88 57.22 2jbr h LEU 368 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2jbr h LEU 368 CO -0.00 1.66 0.33 -0.03 0.09 0.00 0.00 178.44 180.48 2jbr h MET 369 N -0.15 0.44 0.00 1.13 4.05 -0.98 -1.68 114.93 117.75 2jbr h MET 369 Ca -0.30 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.09 2jbr h MET 369 Cb 1.89 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.59 2jbr h MET 369 CO 0.12 0.29 -0.01 0.00 0.23 0.00 0.00 176.91 177.54 2jbr h ALA 370 N 1.73 1.01 -0.35 0.39 0.00 -1.32 -2.69 119.26 118.03 2jbr h ALA 370 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jbr h ALA 370 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jbr h ALA 370 CO -0.05 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2jbr n ALA 371 N -2.10 2.18 0.67 0.00 0.00 -0.66 -4.70 120.51 115.91 2jbr n ALA 371 Ca -0.01 -1.16 0.12 0.00 0.00 0.00 0.00 53.44 52.40 2jbr n ALA 371 Cb 0.24 -0.44 0.17 0.00 0.00 0.00 0.00 19.45 19.41 2jbr n ALA 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jbr n ALA 372 N 0.51 3.16 0.00 0.00 0.00 -1.01 -5.06 120.51 118.10 2jbr n ALA 372 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2jbr n ALA 372 Cb 0.43 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2jbr n ALA 372 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jbr n GLY 373 N 1.38 -1.58 0.21 0.00 0.00 -1.26 -4.33 105.19 99.61 2jbr n GLY 373 Ca 0.04 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.55 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 1.53 0.00 4.61 0.00 -1.97 -2.76 119.26 120.67 2jbr h ALA 374 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jbr h ALA 374 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jbr h ALA 374 CO 0.00 0.34 -0.01 1.79 0.00 0.00 0.00 179.25 181.37 2jbr h THR 375 N 0.00 0.03 0.00 0.00 1.35 -1.99 -2.61 112.91 109.68 2jbr h THR 375 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2jbr h THR 375 Cb 0.48 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2jbr h THR 375 CO 0.03 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.11 2jbr n SER 376 N -3.11 0.26 -1.15 5.36 7.64 -1.04 -2.64 113.62 118.94 2jbr n SER 376 Ca -0.02 0.53 0.12 0.00 1.01 0.00 0.00 58.87 60.51 2jbr n SER 376 Cb 0.17 -0.60 0.21 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.75 0.46 -2.77 1.43 3.72 -0.98 -2.54 117.46 115.03 2jbr n PHE 377 Ca 0.06 -0.23 -0.34 0.00 -0.05 0.00 0.00 57.45 56.90 2jbr n PHE 377 Cb 0.35 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.83 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 -1.54 4.19 0.52 -1.08 -1.94 -1.08 -4.96 119.30 113.41 2jbr s MET 378 Ca 0.38 1.18 0.22 0.00 -1.71 0.00 0.00 55.69 55.76 2jbr s MET 378 Cb 0.23 -2.23 1.34 0.00 2.01 0.00 0.00 34.83 36.17 2jbr s MET 378 CO 0.32 -0.07 2.04 -0.44 -0.01 0.00 0.00 175.02 176.86 2jbr h ASP 379 N 1.98 0.02 -0.01 3.03 5.19 -1.92 -1.83 116.42 122.88 2jbr h ASP 379 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2jbr h ASP 379 Cb 1.19 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2jbr h ASP 379 CO 0.61 0.01 0.00 -0.46 -3.12 0.00 0.00 179.24 176.28 2jbr n ASN 380 N -4.43 0.18 -4.77 6.45 6.94 -1.26 -4.78 115.26 113.58 2jbr n ASN 380 Ca 0.06 -1.35 -0.36 0.00 -0.02 0.00 0.00 54.58 52.91 2jbr n ASN 380 Cb 0.44 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.77 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 -1.69 5.91 0.22 0.53 0.15 -0.69 -5.00 113.70 113.13 2jbr s SER 381 Ca 0.33 0.30 0.06 0.00 0.70 0.00 0.00 55.95 57.34 2jbr s SER 381 Cb 0.15 -1.87 0.18 0.00 -1.71 0.00 0.00 66.02 62.77 2jbr s SER 381 CO 0.26 0.35 1.51 -0.08 1.20 0.00 0.00 173.24 176.48 2jbr h GLU 382 N 5.40 0.14 -0.60 5.44 4.81 -1.86 -3.33 114.58 124.56 2jbr h GLU 382 Ca -0.50 -0.12 0.09 0.00 -0.13 0.00 0.00 59.36 58.70 2jbr h GLU 382 Cb 1.20 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 2jbr h GLU 382 CO 0.60 0.79 0.24 -0.07 -0.73 0.00 0.00 179.01 179.83 2jbr h LEU 383 N 0.09 0.25 -0.85 1.64 3.38 -1.94 -1.24 115.31 116.65 2jbr h LEU 383 Ca -0.02 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2jbr h LEU 383 Cb 1.26 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 2jbr h LEU 383 CO 0.10 0.15 0.49 -0.61 0.09 0.00 0.00 178.44 178.66 2jbr h GLN 384 N 0.43 0.78 -0.43 1.13 -0.00 -1.60 0.18 115.11 115.59 2jbr h GLN 384 Ca 0.30 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.80 2jbr h GLN 384 Cb 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.64 2jbr h GLN 384 CO -0.29 0.52 -0.12 -0.09 0.00 0.00 0.00 178.83 178.85 2jbr h ARG 385 N 0.80 0.84 -0.47 1.69 2.43 -1.42 -2.16 114.38 116.09 2jbr h ARG 385 Ca 0.41 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2jbr h ARG 385 Cb 0.40 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2jbr h ARG 385 CO -0.26 0.96 0.04 -0.07 -1.51 0.00 0.00 179.97 179.13 2jbr h LEU 386 N 0.67 0.78 0.02 3.80 3.38 -0.76 -1.41 115.31 121.78 2jbr h LEU 386 Ca 0.11 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2jbr h LEU 386 Cb 0.66 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jbr h LEU 386 CO 0.05 0.87 -0.11 0.15 0.09 0.00 0.00 178.44 179.49 2jbr h PHE 387 N 0.67 -0.28 -0.27 1.13 3.57 -0.64 -0.58 116.94 120.54 2jbr h PHE 387 Ca 0.14 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 2jbr h PHE 387 Cb 0.45 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2jbr h PHE 387 CO 0.03 -0.17 0.05 0.00 -2.23 0.00 0.00 178.31 176.00 2jbr h ARG 388 N -0.19 0.44 -0.71 1.11 3.08 -1.31 -2.67 114.38 114.13 2jbr h ARG 388 Ca 0.03 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2jbr h ARG 388 Cb 0.24 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2jbr h ARG 388 CO -0.10 0.56 0.28 -0.44 -1.07 0.00 0.00 179.97 179.20 2jbr h ASP 389 N 0.26 0.98 -0.29 7.04 3.32 -1.24 -2.36 116.42 124.14 2jbr h ASP 389 Ca 0.08 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.00 2jbr h ASP 389 Cb 0.32 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2jbr h ASP 389 CO 0.00 0.89 0.06 0.00 -1.72 0.00 0.00 179.24 178.47 2jbr h ALA 390 N 1.13 0.30 -0.56 3.45 0.00 -1.05 -2.43 119.26 120.10 2jbr h ALA 390 Ca 0.24 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2jbr h ALA 390 Cb 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2jbr h ALA 390 CO -0.02 -0.35 0.20 0.45 0.00 0.00 0.00 179.25 179.53 2jbr h HIS 391 N 0.16 0.82 -0.29 0.00 3.86 -1.27 -2.23 115.15 116.20 2jbr h HIS 391 Ca 0.13 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2jbr h HIS 391 Cb 0.14 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2jbr h HIS 391 CO -0.17 0.65 0.06 1.98 0.86 0.00 0.00 177.93 181.31 2jbr h MET 392 N 0.80 0.43 0.00 2.45 -1.53 -1.18 -2.21 114.93 113.69 2jbr h MET 392 Ca 0.19 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.37 2jbr h MET 392 Cb 0.19 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.16 2jbr h MET 392 CO -0.01 0.41 -0.07 1.79 0.14 0.00 0.00 176.91 179.16 2jbr h THR 393 N 0.42 0.73 -0.01 -0.77 1.35 -0.91 -1.44 112.91 112.28 2jbr h THR 393 Ca 0.10 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2jbr h THR 393 Cb 0.19 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2jbr h THR 393 CO -0.00 0.07 -0.02 0.61 -0.25 0.00 0.00 175.52 175.92 2jbr n GLY 394 N -1.11 -0.34 0.05 5.82 0.00 -0.84 -4.10 105.19 104.67 2jbr n GLY 394 Ca -0.03 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.23 4.62 -1.78 4.61 0.00 -0.54 -4.33 120.51 122.85 2jbr n ALA 395 Ca 0.19 -0.60 -0.36 0.00 0.00 0.00 0.00 53.44 52.67 2jbr n ALA 395 Cb 0.29 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.92 3.01 0.48 0.00 2.46 -1.24 -4.91 115.29 112.18 2jbr s HIS 396 Ca 0.09 1.58 0.19 0.00 0.47 0.00 0.00 55.06 57.39 2jbr s HIS 396 Cb 0.16 -3.24 1.20 0.00 -0.13 0.00 0.00 32.58 30.57 2jbr s HIS 396 CO 0.83 -1.10 1.99 0.00 -2.47 0.00 0.00 174.74 173.99 2jbr h ALA 397 N 2.07 2.23 0.00 1.58 0.00 -1.95 -1.15 119.26 122.04 2jbr h ALA 397 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2jbr h ALA 397 Cb 1.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jbr h ALA 397 CO 0.60 -0.37 -0.10 -0.92 0.00 0.00 0.00 179.25 178.47 2jbr h TYR 398 N 0.21 0.00 -0.02 0.00 3.20 -1.97 -3.28 116.97 115.10 2jbr h TYR 398 Ca 0.26 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2jbr h TYR 398 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2jbr h TYR 398 CO -0.00 0.10 -0.02 0.25 -1.64 0.00 0.00 178.16 176.85 2jbr n THR 399 N -3.13 0.00 -1.61 1.81 -2.24 -0.48 -4.81 114.28 103.82 2jbr n THR 399 Ca 0.03 -0.49 -0.48 0.00 -2.27 0.00 0.00 64.05 60.85 2jbr n THR 399 Cb 0.55 1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 70.11 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 0.99 3.12 0.12 3.42 -0.08 -0.89 -4.79 116.55 118.44 2jbr n ASP 400 Ca 0.11 0.68 0.00 0.00 -1.51 0.00 0.00 54.79 54.07 2jbr n ASP 400 Cb 0.47 -1.39 -0.01 0.00 2.34 0.00 0.00 41.12 42.53 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 11.21 0.00 -0.62 -0.67 3.20 -1.88 -2.36 116.97 125.85 2jbr h TYR 401 Ca -0.42 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.47 2jbr h TYR 401 Cb 1.28 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 2jbr h TYR 401 CO 0.91 0.62 0.40 -0.44 -1.64 0.00 0.00 178.16 178.01 2jbr h ASP 402 N 0.00 0.67 -0.13 -2.11 3.32 -1.99 0.29 116.42 116.47 2jbr h ASP 402 Ca -0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2jbr h ASP 402 Cb 1.48 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 2jbr h ASP 402 CO 0.08 0.48 0.02 0.58 -1.72 0.00 0.00 179.24 178.68 2jbr h VAL 403 N 0.80 1.21 -0.52 -1.35 2.07 -1.94 -2.83 116.25 113.69 2jbr h VAL 403 Ca 0.24 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2jbr h VAL 403 Cb -0.04 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2jbr h VAL 403 CO -0.07 0.20 0.06 0.00 0.02 0.00 0.00 177.57 177.77 2jbr h ALA 405 N 1.28 1.18 -0.31 0.00 0.00 -0.45 -1.36 119.26 119.60 2jbr h ALA 405 Ca 0.16 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2jbr h ALA 405 Cb 0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jbr h ALA 405 CO 0.01 0.60 -0.47 1.96 0.00 0.00 0.00 179.25 181.35 2jbr h GLN 406 N 1.04 0.86 0.38 0.00 4.20 -1.20 -0.37 115.11 120.01 2jbr h GLN 406 Ca 0.24 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 2jbr h GLN 406 Cb 0.17 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2jbr h GLN 406 CO -0.02 1.15 -0.18 0.82 -0.67 0.00 0.00 178.83 179.93 2jbr h ILE 407 N 0.65 0.63 -0.27 2.54 2.04 -1.03 -1.42 117.51 120.64 2jbr h ILE 407 Ca 0.03 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2jbr h ILE 407 Cb 1.07 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2jbr h ILE 407 CO 0.11 0.00 0.08 0.25 0.00 0.00 0.00 178.15 178.59 2jbr h LEU 408 N -0.52 0.40 -0.43 1.44 5.85 -1.31 -2.60 115.31 118.15 2jbr h LEU 408 Ca -0.05 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.53 2jbr h LEU 408 Cb 0.40 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2jbr h LEU 408 CO 0.09 0.51 0.04 1.23 -0.34 0.00 0.00 178.44 179.96 2jbr h GLY 409 N 0.27 0.47 1.00 3.75 0.00 -1.03 0.96 103.07 108.49 2jbr h GLY 409 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2jbr h GLY 409 CO -0.00 -0.09 0.36 3.21 0.00 0.00 0.00 176.54 180.03 2jbr h ARG 410 N 0.15 0.90 -0.25 4.80 3.08 -1.24 -2.33 114.38 119.50 2jbr h ARG 410 Ca 0.21 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2jbr h ARG 410 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2jbr h ARG 410 CO -0.32 0.68 0.08 1.49 -1.07 0.00 0.00 179.97 180.82 2jbr h GLU 411 N 0.89 0.38 -0.03 0.04 4.57 -0.99 0.44 114.58 119.88 2jbr h GLU 411 Ca 0.23 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 2jbr h GLU 411 Cb 0.03 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2jbr h GLU 411 CO -0.04 0.46 0.02 -0.07 -1.18 0.00 0.00 179.01 178.21 2jbr h LEU 412 N 0.23 0.00 -1.91 1.64 3.38 -0.71 -1.72 115.31 116.22 2jbr h LEU 412 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jbr h LEU 412 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jbr h LEU 412 CO -0.00 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.76 2jbr n MET 413 N -4.39 2.24 -1.55 1.13 2.81 -0.89 -4.95 117.12 111.51 2jbr n MET 413 Ca -0.02 -1.88 -0.07 0.00 -1.81 0.00 0.00 57.70 53.91 2jbr n MET 413 Cb 0.12 -1.46 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.37 0.62 3.90 3.03 0.00 -0.65 -5.03 105.19 108.44 2jbr n GLY 414 Ca 0.18 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.26 3.66 0.44 1.61 -1.94 0.11 -5.02 119.30 114.90 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 -2.57 -0.08 0.00 2.01 0.00 0.00 34.83 34.20 2jbr s MET 415 CO 0.00 0.13 1.24 -1.21 -0.01 0.00 0.00 175.02 175.17 2jbr s GLU 416 N -3.71 3.78 0.50 2.03 0.41 -1.26 -4.45 118.70 116.00 2jbr s GLU 416 Ca 0.46 1.98 -0.22 0.00 -0.41 0.00 0.00 54.97 56.78 2jbr s GLU 416 Cb -0.11 -2.54 -0.07 0.00 -1.78 0.00 0.00 34.13 29.63 2jbr s GLU 416 CO 0.31 -0.59 1.11 -2.30 -0.49 0.00 0.00 175.26 173.30 2jbr n PRO 417 N -0.27 1.40 -2.84 0.39 -0.02 -1.26 -4.96 135.00 127.44 2jbr n PRO 417 Ca 0.06 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 2jbr n PRO 417 Cb 0.46 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.88 6.74 0.45 2.55 -1.08 -1.26 -4.93 116.67 118.25 2jbr s ASP 418 Ca 0.68 0.75 0.31 0.00 -0.52 0.00 0.00 52.55 53.77 2jbr s ASP 418 Cb -0.47 -2.45 1.34 0.00 -1.46 0.00 0.00 42.92 39.87 2jbr s ASP 418 CO 0.53 -0.73 1.91 1.55 0.52 0.00 0.00 175.17 178.95 2jbr h PRO 419 N 8.17 0.00 0.00 4.34 0.13 -2.05 -2.90 132.00 139.69 2jbr h PRO 419 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 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 0.94 0.00 0.00 1.15 -0.23 0.00 0.00 178.00 179.86 2jbr h THR 420 N 0.00 0.00 -4.06 1.56 2.02 -2.03 -3.43 112.91 106.97 2jbr h THR 420 Ca 0.00 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 2jbr h THR 420 Cb 0.36 0.88 -0.13 0.00 -1.74 0.00 0.00 68.15 67.53 2jbr h THR 420 CO 0.00 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.49 2jbr s MET 421 N -3.84 1.15 0.00 6.66 0.23 -1.09 -5.23 119.30 117.17 2jbr s MET 421 Ca -0.03 -1.29 0.00 0.00 -1.03 0.00 0.00 55.69 53.35 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 0.35 -0.40 0.00 1.55 -2.03 0.00 0.00 175.02 174.49