#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 3.36 -0.12 2.89 1.43 -1.26 -5.09 118.68 119.89 2jbr s LEU 25 Ca 0.00 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 2jbr s LEU 25 Cb 0.00 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2jbr s LEU 25 CO 0.00 -0.88 -0.23 -0.69 0.23 0.00 0.00 176.35 174.78 2jbr s VAL 26 N -2.94 2.03 -0.13 -1.59 1.01 -1.26 -5.02 120.40 112.49 2jbr s VAL 26 Ca 0.52 -0.99 0.18 0.00 0.00 0.00 0.00 61.98 61.70 2jbr s VAL 26 Cb -0.11 -1.78 -0.16 0.00 0.00 0.00 0.00 36.38 34.33 2jbr s VAL 26 CO 0.46 0.55 0.70 -1.22 0.00 0.00 0.00 175.10 175.60 2jbr n TYR 27 N 3.78 0.71 0.90 5.22 4.01 -1.26 -4.55 117.16 125.97 2jbr n TYR 27 Ca -0.19 0.23 0.09 0.00 -0.16 0.00 0.00 57.90 57.87 2jbr n TYR 27 Cb 0.52 -0.97 -0.08 0.00 -0.31 0.00 0.00 39.34 38.50 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 -2.75 0.00 -3.75 -0.72 -2.24 -1.26 -4.45 114.28 99.11 2jbr n THR 28 Ca -0.11 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.55 2jbr n THR 28 Cb 0.80 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 70.11 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 -1.05 -0.83 -2.71 4.78 1.44 -1.26 -4.94 115.22 110.64 2jbr n HIS 29 Ca 0.05 -0.63 -0.40 0.00 -2.01 0.00 0.00 57.72 54.73 2jbr n HIS 29 Cb 0.33 0.30 -0.06 0.00 0.12 0.00 0.00 29.99 30.69 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 -1.57 3.33 0.11 1.59 0.00 -1.26 -4.77 121.76 119.19 2jbr s ALA 30 Ca 0.14 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 2jbr s ALA 30 Cb -0.01 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 2jbr s ALA 30 CO 0.02 0.13 1.27 -1.14 0.00 0.00 0.00 175.76 176.04 2jbr s GLN 31 N -1.01 4.40 0.10 0.00 0.74 -1.26 -5.01 119.66 117.62 2jbr s GLN 31 Ca 0.42 1.90 -0.31 0.00 0.05 0.00 0.00 55.36 57.43 2jbr s GLN 31 Cb -0.26 -3.29 -0.07 0.00 1.10 0.00 0.00 33.01 30.49 2jbr s GLN 31 CO 0.33 -0.28 1.30 0.95 -0.55 0.00 0.00 175.29 177.03 2jbr s THR 32 N 0.81 3.61 0.25 -0.34 -4.23 -1.26 -4.96 115.64 109.52 2jbr s THR 32 Ca 0.59 1.17 -0.31 0.00 -1.18 0.00 0.00 61.69 61.97 2jbr s THR 32 Cb -0.33 -3.75 -0.12 0.00 1.34 0.00 0.00 72.50 69.64 2jbr s THR 32 CO 0.31 0.10 1.62 -2.65 -0.54 0.00 0.00 174.62 173.46 2jbr n PRO 33 N 3.78 2.62 -2.87 3.99 -0.02 -1.26 -4.94 135.00 136.30 2jbr n PRO 33 Ca 0.10 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 62.09 2jbr n PRO 33 Cb 0.44 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 2jbr n PRO 33 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jbr s ASP 34 N 0.71 6.29 0.01 2.55 -1.08 -1.26 -4.82 116.67 119.07 2jbr s ASP 34 Ca 0.69 -0.54 -0.00 0.00 -0.52 0.00 0.00 52.55 52.18 2jbr s ASP 34 Cb -0.53 -2.42 -0.01 0.00 -1.46 0.00 0.00 42.92 38.50 2jbr s ASP 34 CO 0.43 -1.25 -0.01 0.68 0.52 0.00 0.00 175.17 175.54 2jbr s VAL 35 N 3.88 0.06 -0.02 1.11 -7.23 -1.26 -5.10 120.40 111.83 2jbr s VAL 35 Ca 0.27 -0.48 -0.30 0.00 -1.81 0.00 0.00 61.98 59.67 2jbr s VAL 35 Cb -0.14 -0.15 -0.07 0.00 0.56 0.00 0.00 36.38 36.58 2jbr s VAL 35 CO 0.17 -0.26 1.76 -0.94 -0.31 0.00 0.00 175.10 175.51 2jbr s SER 36 N -0.78 6.59 0.00 4.85 1.04 -1.26 -4.69 113.70 119.45 2jbr s SER 36 Ca -0.09 2.38 0.00 0.00 0.48 0.00 0.00 55.95 58.73 2jbr s SER 36 Cb -0.05 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2jbr s SER 36 CO -0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2jbr n GLY 37 N 4.28 2.65 3.66 7.32 0.00 -1.26 -4.99 105.19 116.85 2jbr n GLY 37 Ca 0.18 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 2jbr n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jbr s VAL 38 N -2.73 4.84 0.69 1.61 1.01 -1.26 -5.04 120.40 119.53 2jbr s VAL 38 Ca 0.00 1.65 -0.12 0.00 0.00 0.00 0.00 61.98 63.51 2jbr s VAL 38 Cb 0.00 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2jbr s VAL 38 CO 0.00 -0.03 1.07 -0.94 0.00 0.00 0.00 175.10 175.19 2jbr s SER 39 N 1.23 5.26 0.27 3.32 1.04 -1.26 -4.90 113.70 118.67 2jbr s SER 39 Ca 0.37 1.71 -0.00 0.00 0.48 0.00 0.00 55.95 58.51 2jbr s SER 39 Cb -0.16 -2.51 0.50 0.00 0.10 0.00 0.00 66.02 63.95 2jbr s SER 39 CO 0.10 -1.52 1.84 -0.03 0.98 0.00 0.00 173.24 174.60 2jbr h MET 40 N -0.57 0.95 -0.54 4.02 1.85 -1.96 -2.27 114.93 116.41 2jbr h MET 40 Ca -0.44 -0.06 0.03 0.00 -0.61 0.00 0.00 59.70 58.62 2jbr h MET 40 Cb 1.22 -0.21 -0.04 0.00 0.43 0.00 0.00 31.60 32.99 2jbr h MET 40 CO 0.56 0.63 0.31 1.25 -0.40 0.00 0.00 176.91 179.26 2jbr h LEU 41 N 0.98 0.50 -0.64 3.39 5.85 -1.92 0.38 115.31 123.84 2jbr h LEU 41 Ca 0.47 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.20 2jbr h LEU 41 Cb 0.42 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2jbr h LEU 41 CO -0.25 0.35 0.41 -0.33 -0.34 0.00 0.00 178.44 178.27 2jbr h GLU 42 N 0.62 0.86 -0.82 1.25 5.08 -1.82 -1.13 114.58 118.62 2jbr h GLU 42 Ca 0.22 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2jbr h GLU 42 Cb 0.06 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2jbr h GLU 42 CO -0.11 0.59 0.43 0.87 -1.00 0.00 0.00 179.01 179.79 2jbr h LYS 43 N 0.87 1.16 -0.59 2.33 1.57 -0.87 -1.12 116.57 119.93 2jbr h LYS 43 Ca 0.23 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2jbr h LYS 43 Cb -0.06 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 31.99 2jbr h LYS 43 CO -0.05 0.86 0.36 0.82 -0.57 0.00 0.00 179.45 180.88 2jbr h ILE 44 N 1.15 1.08 -0.44 1.86 1.08 -0.68 -2.83 117.51 118.73 2jbr h ILE 44 Ca 0.29 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.47 2jbr h ILE 44 Cb 0.06 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 2jbr h ILE 44 CO -0.04 0.13 0.08 1.56 -0.69 0.00 0.00 178.15 179.19 2jbr h GLN 45 N 0.71 0.66 -0.72 2.37 4.20 -0.55 -1.07 115.11 120.71 2jbr h GLN 45 Ca 0.23 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 2jbr h GLN 45 Cb 0.01 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 2jbr h GLN 45 CO -0.09 0.63 0.18 1.96 -0.67 0.00 0.00 178.83 180.83 2jbr h GLN 46 N 0.64 1.15 -0.01 1.46 4.20 -1.03 -3.13 115.11 118.39 2jbr h GLN 46 Ca 0.14 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2jbr h GLN 46 Cb 0.28 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2jbr h GLN 46 CO 0.00 1.01 -0.34 0.44 -0.67 0.00 0.00 178.83 179.27 2jbr n ILE 47 N -4.23 0.00 -0.20 2.54 -5.35 -1.04 -4.47 119.36 106.61 2jbr n ILE 47 Ca 0.05 -0.10 -0.04 0.00 -0.27 0.00 0.00 62.75 62.39 2jbr n ILE 47 Cb 0.26 0.42 0.06 0.00 -1.74 0.00 0.00 39.64 38.64 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 0.96 0.56 -1.38 7.28 5.85 -1.14 -2.16 115.31 125.27 2jbr h LEU 48 Ca 0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2jbr h LEU 48 Cb 0.52 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2jbr h LEU 48 CO 0.00 0.39 0.48 -0.65 -0.34 0.00 0.00 178.44 178.32 2jbr h PRO 49 N 0.69 0.71 -0.46 5.25 0.11 -1.78 0.10 132.00 136.62 2jbr h PRO 49 Ca 0.25 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 2jbr h PRO 49 Cb 0.06 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 2jbr h PRO 49 CO -0.12 0.47 0.11 1.96 -0.21 0.00 0.00 178.00 180.21 2jbr h GLN 50 N 0.73 0.73 -0.56 1.05 4.20 -1.71 -1.16 115.11 118.39 2jbr h GLN 50 Ca 0.32 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 2jbr h GLN 50 Cb 0.33 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2jbr h GLN 50 CO -0.11 0.73 0.24 0.82 -0.67 0.00 0.00 178.83 179.84 2jbr h ILE 51 N 0.61 1.21 -0.68 2.54 1.08 -1.02 -2.58 117.51 118.67 2jbr h ILE 51 Ca 0.14 -0.65 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 2jbr h ILE 51 Cb 0.33 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 2jbr h ILE 51 CO 0.00 0.25 0.33 0.00 -0.69 0.00 0.00 178.15 178.04 2jbr h ALA 52 N 1.08 0.88 0.00 1.87 0.00 -0.69 -2.80 119.26 119.60 2jbr h ALA 52 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jbr h ALA 52 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jbr h ALA 52 CO -0.02 0.44 -0.29 0.87 0.00 0.00 0.00 179.25 180.25 2jbr h LYS 53 N 0.95 0.00 -0.00 0.00 1.79 -1.14 -2.80 116.57 115.36 2jbr h LYS 53 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2jbr h LYS 53 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2jbr h LYS 53 CO -0.03 0.29 -0.13 0.09 -1.08 0.00 0.00 179.45 178.59 2jbr n ASN 54 N -3.50 0.20 -0.14 0.86 3.02 -0.98 -4.38 115.26 110.34 2jbr n ASN 54 Ca -0.00 0.06 0.01 0.00 -0.03 0.00 0.00 54.58 54.62 2jbr n ASN 54 Cb 0.46 -0.23 0.28 0.00 -0.61 0.00 0.00 39.78 39.68 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 3.16 1.47 -0.22 5.41 0.00 -1.28 0.20 119.26 127.99 2jbr h ALA 55 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2jbr h ALA 55 Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jbr h ALA 55 CO 0.00 0.45 -0.48 1.49 0.00 0.00 0.00 179.25 180.72 2jbr h GLU 56 N 0.84 0.71 0.00 0.00 4.81 -1.80 -1.42 114.58 117.73 2jbr h GLU 56 Ca 0.22 -0.47 -0.15 0.00 -0.13 0.00 0.00 59.36 58.83 2jbr h GLU 56 Cb -0.00 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2jbr h GLU 56 CO -0.04 1.09 -0.71 0.66 -0.73 0.00 0.00 179.01 179.28 2jbr h SER 57 N 0.43 0.00 -0.60 1.04 4.64 -1.77 -2.89 113.55 114.40 2jbr h SER 57 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jbr h SER 57 Cb 1.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 2jbr h SER 57 CO 0.11 0.71 0.33 0.00 -0.87 0.00 0.00 176.83 177.11 2jbr h ALA 58 N 1.29 0.76 -0.69 5.18 0.00 -0.54 0.72 119.26 125.98 2jbr h ALA 58 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jbr h ALA 58 Cb 1.29 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2jbr h ALA 58 CO 0.09 0.28 0.39 1.49 0.00 0.00 0.00 179.25 181.50 2jbr h GLU 59 N 0.81 0.69 0.00 0.00 4.57 -1.18 -1.96 114.58 117.51 2jbr h GLU 59 Ca 0.21 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.16 2jbr h GLU 59 Cb 0.04 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 2jbr h GLU 59 CO -0.03 0.46 -0.89 1.96 -1.18 0.00 0.00 179.01 179.32 2jbr h GLN 60 N 0.71 0.03 0.00 1.92 4.20 -1.27 -3.20 115.11 117.50 2jbr h GLN 60 Ca 0.31 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.92 2jbr h GLN 60 Cb 0.20 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2jbr h GLN 60 CO -0.19 0.90 -0.34 1.25 -0.67 0.00 0.00 178.83 179.79 2jbr h LEU 61 N 0.01 0.00 2.69 1.46 5.85 -0.61 -3.47 115.31 121.25 2jbr h LEU 61 Ca -0.02 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.32 2jbr h LEU 61 Cb 1.57 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 2jbr h LEU 61 CO 0.12 0.34 -0.49 0.54 -0.34 0.00 0.00 178.44 178.60 2jbr n ARG 62 N -3.73 -1.54 -3.66 1.25 1.74 -0.76 -4.96 116.66 105.00 2jbr n ARG 62 Ca -0.01 0.94 -0.06 0.00 -0.77 0.00 0.00 57.85 57.95 2jbr n ARG 62 Cb 0.43 -5.51 -0.02 0.00 -1.02 0.00 0.00 32.46 26.35 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 -4.92 1.16 0.04 5.56 1.70 -1.24 -3.35 118.95 117.89 2jbr s ARG 63 Ca 0.00 -0.57 -0.31 0.00 -0.47 0.00 0.00 55.73 54.38 2jbr s ARG 63 Cb 0.00 0.44 -0.06 0.00 -0.57 0.00 0.00 34.95 34.76 2jbr s ARG 63 CO 0.00 -0.52 1.40 0.08 -1.08 0.00 0.00 175.30 175.17 2jbr s VAL 64 N -3.35 3.58 0.46 4.99 1.01 -0.29 -4.71 120.40 122.08 2jbr s VAL 64 Ca 0.09 1.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.86 2jbr s VAL 64 Cb -0.02 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2jbr s VAL 64 CO -0.02 0.03 1.35 -2.65 0.00 0.00 0.00 175.10 173.81 2jbr n PRO 65 N 4.89 2.03 -0.33 2.72 -0.02 -1.26 -4.88 135.00 138.15 2jbr n PRO 65 Ca 0.13 0.72 0.12 0.00 -2.02 0.00 0.00 63.50 62.45 2jbr n PRO 65 Cb 0.43 -2.52 0.33 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.06 0.76 -0.82 2.55 5.19 -2.00 -1.28 116.42 122.88 2jbr h ASP 66 Ca -0.50 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.00 2jbr h ASP 66 Cb 1.29 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2jbr h ASP 66 CO 0.60 0.33 0.54 -0.08 -3.12 0.00 0.00 179.24 177.51 2jbr h GLU 67 N 0.77 1.04 0.10 3.56 4.81 -1.99 -0.49 114.58 122.39 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 0.79 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2jbr h GLU 67 CO -0.29 0.69 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.69 2jbr h ASN 68 N 1.07 -0.20 -0.49 1.04 4.21 -1.60 -0.29 115.58 119.32 2jbr h ASN 68 Ca 0.31 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.87 2jbr h ASN 68 Cb -0.07 0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 2jbr h ASN 68 CO -0.09 -0.12 0.27 0.40 -1.29 0.00 0.00 177.43 176.60 2jbr h ILE 69 N -0.19 1.01 -0.30 2.81 1.08 -1.30 -1.16 117.51 119.46 2jbr h ILE 69 Ca -0.00 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 2jbr h ILE 69 Cb 0.17 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2jbr h ILE 69 CO -0.01 0.10 0.14 0.50 -0.69 0.00 0.00 178.15 178.19 2jbr h LYS 70 N 0.54 0.29 -0.51 2.37 3.64 -0.95 0.56 116.57 122.51 2jbr h LYS 70 Ca 0.21 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2jbr h LYS 70 Cb 0.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2jbr h LYS 70 CO -0.12 0.19 0.15 -0.07 -2.27 0.00 0.00 179.45 177.33 2jbr h LEU 71 N 0.30 0.76 -0.54 5.20 3.38 -0.79 -0.27 115.31 123.36 2jbr h LEU 71 Ca 0.12 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 2jbr h LEU 71 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2jbr h LEU 71 CO -0.09 0.77 -0.39 -0.07 0.09 0.00 0.00 178.44 178.76 2jbr h LEU 72 N 0.70 0.81 -0.61 1.67 3.38 -1.04 -2.59 115.31 117.63 2jbr h LEU 72 Ca 0.16 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 2jbr h LEU 72 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2jbr h LEU 72 CO -0.00 1.10 -0.62 0.11 0.09 0.00 0.00 178.44 179.11 2jbr h LYS 73 N 0.62 0.26 -0.79 1.13 1.57 -0.84 -2.21 116.57 116.31 2jbr h LYS 73 Ca 0.05 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2jbr h LYS 73 Cb 0.93 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 2jbr h LYS 73 CO 0.09 0.80 0.44 1.49 -0.57 0.00 0.00 179.45 181.69 2jbr h GLU 74 N 0.19 1.10 0.00 3.15 4.81 -0.89 -1.64 114.58 121.30 2jbr h GLU 74 Ca -0.01 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2jbr h GLU 74 Cb 1.14 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2jbr h GLU 74 CO 0.10 0.81 0.00 0.44 -0.73 0.00 0.00 179.01 179.63 2jbr n ILE 75 N -4.43 0.39 -0.51 2.32 -5.35 -0.99 -4.94 119.36 105.86 2jbr n ILE 75 Ca 0.07 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2jbr n ILE 75 Cb 0.09 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 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 1.26 0.69 0.26 3.28 0.00 -0.62 -4.99 105.19 105.08 2jbr n GLY 76 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.44 -2.92 0.99 5.85 -1.64 -2.50 115.31 115.53 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 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2jbr h LEU 77 CO 0.00 0.54 -0.00 1.12 -0.34 0.00 0.00 178.44 179.76 2jbr h HIS 78 N 0.45 0.00 -0.52 1.25 2.07 -1.90 -1.89 115.15 114.61 2jbr h HIS 78 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 2jbr h HIS 78 Cb 0.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 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 -3.18 3.09 -0.21 5.12 1.74 -0.94 -4.53 116.66 117.75 2jbr n ARG 79 Ca -0.03 -2.25 0.01 0.00 -0.77 0.00 0.00 57.85 54.82 2jbr n ARG 79 Cb 0.07 -1.74 0.12 0.00 -1.02 0.00 0.00 32.46 29.90 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 3.84 0.79 -0.15 7.54 0.00 -1.49 0.77 119.26 130.56 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 1.16 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jbr h ALA 80 CO 0.17 -0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.34 2jbr n PHE 81 N -5.08 0.22 -2.47 0.00 3.72 -1.26 0.17 117.46 112.75 2jbr n PHE 81 Ca 0.10 -0.53 -0.41 0.00 -0.05 0.00 0.00 57.45 56.56 2jbr n PHE 81 Cb 0.33 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.12 4.59 0.41 -1.08 0.74 -1.16 -3.66 119.66 118.38 2jbr s GLN 82 Ca 0.12 1.78 -0.25 0.00 0.05 0.00 0.00 55.36 57.06 2jbr s GLN 82 Cb 0.07 -3.23 -0.10 0.00 1.10 0.00 0.00 33.01 30.84 2jbr s GLN 82 CO 0.07 0.10 1.17 -2.30 -0.55 0.00 0.00 175.29 173.78 2jbr n PRO 83 N 1.89 1.71 0.05 1.67 -0.02 -1.26 -3.44 135.00 135.60 2jbr n PRO 83 Ca 0.01 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 2jbr n PRO 83 Cb 0.45 -2.24 0.55 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.92 0.25 -0.32 -0.52 1.57 -1.92 -1.69 116.57 115.85 2jbr h LYS 84 Ca -0.46 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 2jbr h LYS 84 Cb 1.31 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2jbr h LYS 84 CO 0.59 0.17 0.22 -0.39 -0.57 0.00 0.00 179.45 179.47 2jbr h VAL 85 N 0.26 0.90 -0.32 0.50 -1.51 -1.90 -0.95 116.25 113.22 2jbr h VAL 85 Ca 0.16 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 2jbr h VAL 85 Cb 0.30 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 2jbr h VAL 85 CO -0.03 0.02 0.00 -1.22 -1.23 0.00 0.00 177.57 175.11 2jbr n TYR 86 N -4.47 0.41 -0.13 5.19 4.01 -0.89 -4.90 117.16 116.39 2jbr n TYR 86 Ca 0.04 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2jbr n TYR 86 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 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 1.30 0.93 3.83 2.72 0.00 -0.36 -4.88 105.19 108.74 2jbr n GLY 87 Ca 0.17 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.04 1.61 -0.10 -0.02 0.00 -0.69 -4.95 107.32 101.12 2jbr s GLY 88 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 44.72 44.42 2jbr s GLY 88 CO 0.00 0.09 0.42 1.04 0.00 0.00 0.00 173.10 174.65 2jbr n LEU 89 N -3.37 1.56 -3.72 0.66 4.77 0.25 -4.16 117.00 113.00 2jbr n LEU 89 Ca 0.07 0.25 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 2jbr n LEU 89 Cb 0.58 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2jbr n LEU 89 CO 0.57 0.61 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.52 2jbr n GLU 90 N -3.18 -2.62 -1.84 3.23 1.02 -0.72 -4.94 120.64 111.60 2jbr n GLU 90 Ca -0.26 0.51 -0.37 0.00 -0.02 0.00 0.00 57.16 57.02 2jbr n GLU 90 Cb 1.06 -4.58 0.06 0.00 -0.02 0.00 0.00 31.44 27.96 2jbr n GLU 90 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2jbr s MET 91 N -6.00 2.70 0.61 3.49 -1.94 0.13 -4.93 119.30 113.36 2jbr s MET 91 Ca 0.26 1.99 -0.17 0.00 -1.71 0.00 0.00 55.69 56.06 2jbr s MET 91 Cb -0.08 -1.88 -0.02 0.00 2.01 0.00 0.00 34.83 34.85 2jbr s MET 91 CO 0.85 -1.46 1.12 -1.54 -0.01 0.00 0.00 175.02 173.98 2jbr s SER 92 N -1.45 5.34 0.18 3.03 1.04 -1.26 -4.86 113.70 115.71 2jbr s SER 92 Ca 0.81 2.10 -0.13 0.00 0.48 0.00 0.00 55.95 59.20 2jbr s SER 92 Cb -0.35 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.35 2jbr s SER 92 CO 0.37 -1.48 1.76 0.25 0.98 0.00 0.00 173.24 175.13 2jbr h LEU 93 N 0.53 0.21 -0.79 2.42 5.85 -1.95 -2.21 115.31 119.39 2jbr h LEU 93 Ca -0.48 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.37 2jbr h LEU 93 Cb 1.26 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 2jbr h LEU 93 CO 0.55 0.15 0.45 -0.65 -0.34 0.00 0.00 178.44 178.61 2jbr h PRO 94 N 0.37 0.75 -0.21 5.25 0.11 -1.94 0.57 132.00 136.91 2jbr h PRO 94 Ca 0.22 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 2jbr h PRO 94 Cb 0.21 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2jbr h PRO 94 CO -0.21 0.50 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.51 2jbr h ASP 95 N 0.78 0.47 -0.10 -2.05 3.32 -1.90 -1.87 116.42 115.08 2jbr h ASP 95 Ca 0.37 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2jbr h ASP 95 Cb 0.30 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2jbr h ASP 95 CO -0.23 0.80 0.06 0.15 -1.72 0.00 0.00 179.24 178.30 2jbr h PHE 96 N 0.15 0.13 -0.99 4.55 3.57 -1.27 -2.80 116.94 120.28 2jbr h PHE 96 Ca 0.04 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2jbr h PHE 96 Cb 0.64 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 2jbr h PHE 96 CO 0.07 0.14 0.64 0.00 -2.23 0.00 0.00 178.31 176.93 2jbr h ALA 97 N 0.98 1.39 -0.09 2.41 0.00 -0.82 -1.06 119.26 122.06 2jbr h ALA 97 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jbr h ALA 97 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jbr h ALA 97 CO -0.01 0.49 -0.17 -0.91 0.00 0.00 0.00 179.25 178.65 2jbr h ASN 98 N 1.20 0.14 -0.42 0.00 2.35 -1.29 -1.02 115.58 116.54 2jbr h ASN 98 Ca 0.41 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 56.01 2jbr h ASN 98 Cb 0.09 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2jbr h ASN 98 CO -0.14 0.32 -0.23 0.00 -1.65 0.00 0.00 177.43 175.73 2jbr h ILE 100 N 0.72 1.26 0.15 0.00 1.08 -1.08 -0.80 117.51 118.84 2jbr h ILE 100 Ca 0.09 -1.16 0.01 0.00 -0.39 0.00 0.00 64.86 63.41 2jbr h ILE 100 Cb 0.80 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 2jbr h ILE 100 CO 0.07 0.42 -0.21 0.58 -0.69 0.00 0.00 178.15 178.31 2jbr h VAL 101 N 0.91 0.53 -0.25 1.67 2.07 -1.11 -0.19 116.25 119.88 2jbr h VAL 101 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 2jbr h VAL 101 Cb 0.57 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2jbr h VAL 101 CO 0.03 0.00 0.15 0.74 0.02 0.00 0.00 177.57 178.52 2jbr h THR 102 N -0.42 1.04 -0.67 2.57 2.02 -1.24 -2.79 112.91 113.43 2jbr h THR 102 Ca 0.02 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.14 2jbr h THR 102 Cb 0.42 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 2jbr h THR 102 CO -0.09 0.06 0.38 0.25 0.37 0.00 0.00 175.52 176.48 2jbr h LEU 103 N 0.31 0.57 -2.57 2.58 5.85 -1.05 -2.43 115.31 118.58 2jbr h LEU 103 Ca 0.10 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2jbr h LEU 103 Cb -0.02 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2jbr h LEU 103 CO -0.04 0.38 -0.01 0.00 -0.34 0.00 0.00 178.44 178.43 2jbr h ALA 104 N 1.34 1.29 0.00 1.25 0.00 -0.76 -1.28 119.26 121.09 2jbr h ALA 104 Ca 0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2jbr h ALA 104 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jbr h ALA 104 CO -0.17 0.02 -0.22 0.78 0.00 0.00 0.00 179.25 179.66 2jbr h GLY 105 N 0.17 0.00 0.25 0.00 0.00 -1.26 -3.26 103.07 98.97 2jbr h GLY 105 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2jbr h GLY 105 CO 0.00 0.00 -1.60 0.00 0.00 0.00 0.00 176.54 174.94 2jbr n ALA 106 N -2.41 0.84 -3.25 3.60 0.00 -0.53 -4.92 120.51 113.84 2jbr n ALA 106 Ca -0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 53.44 52.85 2jbr n ALA 106 Cb 0.30 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 2jbr n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jbr h ALA 108 N 8.09 0.55 -0.64 0.00 0.00 -1.81 -2.01 119.26 123.45 2jbr h ALA 108 Ca -0.21 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 2jbr h ALA 108 Cb 1.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2jbr h ALA 108 CO 0.26 0.55 0.29 0.78 0.00 0.00 0.00 179.25 181.13 2jbr h GLY 109 N 0.66 1.00 0.91 0.00 0.00 -1.89 0.15 103.07 103.89 2jbr h GLY 109 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2jbr h GLY 109 CO 0.07 0.48 -0.06 -0.84 0.00 0.00 0.00 176.54 176.19 2jbr h THR 110 N 0.88 0.86 -0.28 4.70 2.02 -1.73 -0.64 112.91 118.73 2jbr h THR 110 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2jbr h THR 110 Cb 0.15 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2jbr h THR 110 CO -0.02 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.04 2jbr h ALA 111 N 0.82 0.35 0.20 6.16 0.00 -1.14 0.24 119.26 125.90 2jbr h ALA 111 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jbr h ALA 111 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jbr h ALA 111 CO -0.03 -0.16 -0.17 2.35 0.00 0.00 0.00 179.25 181.25 2jbr h TRP 112 N 0.36 -0.44 -0.35 0.00 2.91 -0.69 0.10 115.95 117.84 2jbr h TRP 112 Ca 0.10 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 2jbr h TRP 112 Cb -0.01 0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 2jbr h TRP 112 CO -0.05 -0.26 0.12 0.00 -1.03 0.00 0.00 178.44 177.22 2jbr h ALA 113 N 0.37 0.45 -0.21 2.65 0.00 -1.01 -3.00 119.26 118.52 2jbr h ALA 113 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2jbr h ALA 113 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jbr h ALA 113 CO -0.02 0.08 -0.43 0.35 0.00 0.00 0.00 179.25 179.23 2jbr h PHE 114 N 0.41 0.60 -0.40 0.00 3.57 -0.48 -2.03 116.94 118.61 2jbr h PHE 114 Ca 0.11 -0.18 0.05 0.00 3.53 0.00 0.00 57.97 61.49 2jbr h PHE 114 Cb 0.22 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 2jbr h PHE 114 CO 0.00 0.85 0.13 1.03 -2.23 0.00 0.00 178.31 178.09 2jbr h SER 115 N 0.41 0.12 -0.53 0.41 0.87 -0.80 -1.06 113.55 112.97 2jbr h SER 115 Ca 0.03 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2jbr h SER 115 Cb 0.92 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 2jbr h SER 115 CO 0.08 0.10 0.04 -0.07 -0.53 0.00 0.00 176.83 176.46 2jbr h LEU 116 N 0.28 0.88 -1.48 2.23 3.38 -1.36 0.15 115.31 119.39 2jbr h LEU 116 Ca 0.19 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 58.01 2jbr h LEU 116 Cb 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2jbr h LEU 116 CO -0.20 0.95 0.51 -0.07 0.09 0.00 0.00 178.44 179.72 2jbr h LEU 117 N 0.79 0.49 0.01 1.67 3.38 -1.02 -1.45 115.31 119.17 2jbr h LEU 117 Ca 0.16 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2jbr h LEU 117 Cb 0.47 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jbr h LEU 117 CO 0.02 0.26 -0.15 0.00 0.09 0.00 0.00 178.44 178.66 2jbr h THR 119 N -0.70 0.58 -0.27 0.00 1.35 -0.41 -2.80 112.91 110.65 2jbr h THR 119 Ca -0.02 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 64.84 2jbr h THR 119 Cb 0.98 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2jbr h THR 119 CO 0.03 0.20 0.07 0.45 -0.25 0.00 0.00 175.52 176.03 2jbr h HIS 120 N 0.00 0.39 -0.16 4.73 -0.00 -1.41 -2.16 115.15 116.54 2jbr h HIS 120 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 2jbr h HIS 120 Cb 0.63 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 2jbr h HIS 120 CO 0.00 0.34 0.04 0.77 -0.00 0.00 0.00 177.93 179.08 2jbr h SER 121 N 0.39 0.20 -0.74 2.45 0.02 -1.66 -0.56 113.55 113.64 2jbr h SER 121 Ca 0.09 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2jbr h SER 121 Cb 0.14 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2jbr h SER 121 CO -0.01 0.21 0.36 -0.74 -1.14 0.00 0.00 176.83 175.51 2jbr h HIS 122 N 0.22 1.06 0.12 3.45 6.17 -1.46 -2.01 115.15 122.71 2jbr h HIS 122 Ca 0.06 -0.05 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 2jbr h HIS 122 Cb 0.09 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 29.69 2jbr h HIS 122 CO 0.00 0.78 -0.06 0.37 0.71 0.00 0.00 177.93 179.73 2jbr h GLN 123 N 1.04 -0.16 -0.93 5.26 4.15 -1.37 -3.06 115.11 120.05 2jbr h GLN 123 Ca 0.26 0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.92 2jbr h GLN 123 Cb 0.11 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.77 2jbr h GLN 123 CO -0.03 0.24 0.62 0.82 -1.93 0.00 0.00 178.83 178.55 2jbr h ILE 124 N -0.60 0.62 0.00 2.39 2.04 -1.11 0.16 117.51 121.01 2jbr h ILE 124 Ca -0.02 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2jbr h ILE 124 Cb 0.47 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2jbr h ILE 124 CO 0.03 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.23 2jbr n ALA 125 N -2.56 1.40 0.96 1.87 0.00 -0.76 -1.55 120.51 119.87 2jbr n ALA 125 Ca 0.20 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.74 2jbr n ALA 125 Cb 0.80 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.60 0.82 -1.74 0.00 2.81 0.56 -4.76 117.12 113.20 2jbr n MET 126 Ca 0.02 -0.54 -0.30 0.00 -1.81 0.00 0.00 57.70 55.07 2jbr n MET 126 Cb 0.11 -1.46 0.19 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.64 1.55 0.65 2.03 0.40 -0.59 -1.05 117.98 118.33 2jbr s PHE 127 Ca 0.13 0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 56.71 2jbr s PHE 127 Cb 0.17 -3.89 -0.01 0.00 0.51 0.00 0.00 43.02 39.80 2jbr s PHE 127 CO 0.68 -2.80 1.28 -1.54 0.70 0.00 0.00 175.22 173.54 2jbr s SER 128 N -4.61 4.58 0.40 1.36 1.04 -1.26 -2.73 113.70 112.48 2jbr s SER 128 Ca 0.72 2.59 0.16 0.00 0.48 0.00 0.00 55.95 59.89 2jbr s SER 128 Cb -0.06 -2.62 1.03 0.00 0.10 0.00 0.00 66.02 64.47 2jbr s SER 128 CO 0.53 -2.02 1.85 0.50 0.98 0.00 0.00 173.24 175.09 2jbr h LYS 129 N 0.48 0.45 -0.45 4.02 3.64 -1.94 -2.46 116.57 120.30 2jbr h LYS 129 Ca -0.51 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 2jbr h LYS 129 Cb 1.33 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2jbr h LYS 129 CO 0.53 0.30 0.18 1.96 -2.27 0.00 0.00 179.45 180.15 2jbr h GLN 130 N 0.47 0.68 -0.48 1.90 7.50 -1.94 0.13 115.11 123.36 2jbr h GLN 130 Ca 0.47 -0.12 -0.04 0.00 0.50 0.00 0.00 58.65 59.46 2jbr h GLN 130 Cb 1.09 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.49 2jbr h GLN 130 CO -0.19 0.61 0.14 1.25 -1.50 0.00 0.00 178.83 179.14 2jbr h LEU 131 N 0.59 0.70 -0.26 1.46 5.85 -1.72 -1.21 115.31 120.72 2jbr h LEU 131 Ca 0.15 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2jbr h LEU 131 Cb 0.19 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2jbr h LEU 131 CO -0.01 0.73 0.05 1.56 -0.34 0.00 0.00 178.44 180.43 2jbr h GLN 132 N 0.64 0.43 -0.45 1.25 4.20 -1.24 -0.21 115.11 119.74 2jbr h GLN 132 Ca 0.15 -0.11 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2jbr h GLN 132 Cb 0.28 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 2jbr h GLN 132 CO -0.00 0.54 -0.00 -0.44 -0.67 0.00 0.00 178.83 178.26 2jbr h ASP 133 N 0.25 -0.19 -0.99 1.46 3.32 -0.75 0.20 116.42 119.73 2jbr h ASP 133 Ca 0.08 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.27 2jbr h ASP 133 Cb 0.31 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 2jbr h ASP 133 CO 0.00 -0.06 0.65 -0.08 -1.72 0.00 0.00 179.24 178.04 2jbr h GLU 134 N 0.11 1.21 0.01 3.56 4.81 -0.83 -1.00 114.58 122.45 2jbr h GLU 134 Ca 0.22 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2jbr h GLU 134 Cb 0.32 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2jbr h GLU 134 CO -0.37 0.80 -0.00 0.82 -0.73 0.00 0.00 179.01 179.53 2jbr h ILE 135 N 1.25 1.60 0.00 2.32 2.04 -0.64 -3.39 117.51 120.70 2jbr h ILE 135 Ca 0.40 -2.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.18 2jbr h ILE 135 Cb 0.01 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 2jbr h ILE 135 CO -0.12 0.51 -2.05 0.79 0.00 0.00 0.00 178.15 177.27 2jbr n TRP 136 N -4.68 0.00 -0.06 1.37 8.01 0.68 -2.59 117.44 120.17 2jbr n TRP 136 Ca -0.09 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.95 2jbr n TRP 136 Cb 0.41 -0.57 -0.04 0.00 -2.01 0.00 0.00 31.31 29.10 2jbr n TRP 136 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 2jbr h LEU 137 N 0.00 0.94 0.43 -0.99 3.38 -1.33 -2.45 115.31 115.29 2jbr h LEU 137 Ca -0.08 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2jbr h LEU 137 Cb 1.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2jbr h LEU 137 CO 0.00 1.31 -0.29 0.50 0.09 0.00 0.00 178.44 180.06 2jbr h LYS 138 N 0.63 -0.67 -2.40 1.13 3.64 -1.70 -3.42 116.57 113.76 2jbr h LYS 138 Ca 0.00 0.05 -0.38 0.00 -1.27 0.00 0.00 60.65 59.05 2jbr h LYS 138 Cb 1.19 0.15 -0.36 0.00 -0.41 0.00 0.00 32.23 32.81 2jbr h LYS 138 CO 0.13 -0.45 -0.67 0.34 -2.27 0.00 0.00 179.45 176.53 2jbr s ASP 139 N -4.60 2.06 0.63 4.20 2.15 -1.07 -5.02 116.67 115.03 2jbr s ASP 139 Ca -0.17 -0.75 0.42 0.00 0.43 0.00 0.00 52.55 52.48 2jbr s ASP 139 Cb 0.05 0.26 2.14 0.00 -0.30 0.00 0.00 42.92 45.07 2jbr s ASP 139 CO 0.63 -0.39 2.27 -0.65 -0.17 0.00 0.00 175.17 176.86 2jbr h PRO 140 N 8.31 0.00 -0.45 4.34 0.11 -1.69 -2.35 132.00 140.27 2jbr h PRO 140 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2jbr h PRO 140 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jbr h PRO 140 CO 0.35 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.89 2jbr n ASP 141 N -3.07 3.34 -4.76 -2.05 8.00 -1.26 -4.98 116.55 111.76 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 0.13 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.42 3.44 0.23 2.24 0.00 -0.88 -5.05 121.76 120.31 2jbr s ALA 142 Ca 0.40 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.41 2jbr s ALA 142 Cb 0.23 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2jbr s ALA 142 CO 0.31 -0.31 -0.03 0.95 0.00 0.00 0.00 175.76 176.68 2jbr s THR 143 N -1.12 1.20 0.07 0.00 -4.23 -1.26 -5.00 115.64 105.30 2jbr s THR 143 Ca 0.46 -2.06 0.07 0.00 -1.18 0.00 0.00 61.69 58.98 2jbr s THR 143 Cb -0.34 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2jbr s THR 143 CO 0.44 -0.38 -0.14 0.00 -0.54 0.00 0.00 174.62 174.00 2jbr s ALA 144 N -3.31 2.76 0.42 3.99 0.00 -1.26 -1.34 121.76 123.03 2jbr s ALA 144 Ca 0.27 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 51.09 2jbr s ALA 144 Cb 0.05 -0.82 0.07 0.00 0.00 0.00 0.00 23.12 22.42 2jbr s ALA 144 CO 0.08 0.60 0.58 -1.13 0.00 0.00 0.00 175.76 175.89 2jbr n SER 145 N 1.20 1.53 -3.85 0.00 3.41 -0.23 -4.30 113.62 111.37 2jbr n SER 145 Ca -0.15 -2.11 -0.09 0.00 -0.26 0.00 0.00 58.87 56.25 2jbr n SER 145 Cb 0.52 -0.31 -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 -3.61 -0.13 -0.28 4.04 1.04 -1.26 -0.09 113.70 113.42 2jbr s SER 146 Ca 0.44 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2jbr s SER 146 Cb -0.04 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.78 2jbr s SER 146 CO 0.28 -1.00 0.46 -0.55 0.98 0.00 0.00 173.24 173.41 2jbr s SER 147 N -2.92 -0.28 -0.01 7.02 0.15 -0.56 -4.01 113.70 113.09 2jbr s SER 147 Ca 0.13 0.10 0.19 0.00 0.70 0.00 0.00 55.95 57.07 2jbr s SER 147 Cb 0.01 1.44 -0.23 0.00 -1.71 0.00 0.00 66.02 65.53 2jbr s SER 147 CO -0.01 -0.31 0.69 2.30 1.20 0.00 0.00 173.24 177.11 2jbr n ILE 148 N 5.38 0.00 -2.19 6.45 -6.64 -1.26 -2.03 119.36 119.07 2jbr n ILE 148 Ca -0.00 -0.17 -0.42 0.00 -1.77 0.00 0.00 62.75 60.39 2jbr n ILE 148 Cb 0.51 0.74 -0.03 0.00 -1.44 0.00 0.00 39.64 39.41 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 -2.92 3.59 -1.20 -1.28 0.00 -1.26 -4.11 121.76 114.58 2jbr s ALA 149 Ca 0.03 0.90 -0.14 0.00 0.00 0.00 0.00 51.96 52.75 2jbr s ALA 149 Cb 0.14 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 2jbr s ALA 149 CO 0.77 -0.95 2.26 -0.35 0.00 0.00 0.00 175.76 177.49 2jbr n PRO 150 N 5.47 2.49 0.06 0.00 -0.04 -1.26 -4.56 135.00 137.16 2jbr n PRO 150 Ca 0.13 -2.12 0.12 0.00 -0.04 0.00 0.00 63.50 61.60 2jbr n PRO 150 Cb 0.43 -2.95 0.12 0.00 -0.04 0.00 0.00 33.50 31.06 2jbr n PRO 150 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2jbr h PHE 151 N 6.41 0.00 -4.10 0.54 0.04 -1.91 -3.43 116.94 114.50 2jbr h PHE 151 Ca 0.57 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.84 2jbr h PHE 151 Cb 0.50 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.72 2jbr h PHE 151 CO 1.56 0.00 0.43 0.20 -0.60 0.00 0.00 178.31 179.90 2jbr s GLY 152 N -3.77 2.59 -0.13 -1.45 0.00 -1.26 -4.88 107.32 98.42 2jbr s GLY 152 Ca 0.05 0.80 -0.15 0.00 0.00 0.00 0.00 44.72 45.42 2jbr s GLY 152 CO 0.75 1.16 0.36 0.54 0.00 0.00 0.00 173.10 175.90 2jbr s LYS 153 N -3.36 4.23 -0.15 2.90 1.02 0.13 -4.74 119.74 119.77 2jbr s LYS 153 Ca 0.72 0.24 -0.00 0.00 0.02 0.00 0.00 55.97 56.94 2jbr s LYS 153 Cb -0.24 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2jbr s LYS 153 CO 0.28 0.27 -0.13 0.54 -0.92 0.00 0.00 175.35 175.40 2jbr s VAL 154 N 0.31 2.98 -0.23 3.17 0.11 -1.26 -1.54 120.40 123.94 2jbr s VAL 154 Ca 0.20 -0.67 -0.05 0.00 -2.93 0.00 0.00 61.98 58.52 2jbr s VAL 154 Cb -0.14 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 2jbr s VAL 154 CO 0.07 0.51 0.01 -0.70 -3.33 0.00 0.00 175.10 171.66 2jbr s GLU 155 N 0.62 3.53 -0.40 1.54 2.12 -0.01 -4.97 118.70 121.13 2jbr s GLU 155 Ca -0.07 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.42 2jbr s GLU 155 Cb -0.15 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2jbr s GLU 155 CO 0.03 -0.17 1.52 -1.21 -0.54 0.00 0.00 175.26 174.88 2jbr s GLU 156 N 1.48 3.49 0.28 4.30 0.41 -1.26 -0.53 118.70 126.87 2jbr s GLU 156 Ca 0.06 1.03 0.03 0.00 -0.41 0.00 0.00 54.97 55.67 2jbr s GLU 156 Cb -0.15 -4.08 0.03 0.00 -1.78 0.00 0.00 34.13 28.15 2jbr s GLU 156 CO 0.00 -1.67 0.21 1.33 -0.49 0.00 0.00 175.26 174.64 2jbr n VAL 157 N 7.16 0.00 -3.40 2.63 0.24 -1.08 -4.98 118.33 118.91 2jbr n VAL 157 Ca 0.18 -1.11 -0.38 0.00 -2.04 0.00 0.00 64.34 60.99 2jbr n VAL 157 Cb 0.48 -0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 32.52 2jbr n VAL 157 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2jbr s GLU 158 N -3.16 4.12 0.00 7.34 -1.05 -1.26 -3.78 118.70 120.92 2jbr s GLU 158 Ca 0.16 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.47 2jbr s GLU 158 Cb -0.01 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.38 2jbr s GLU 158 CO 0.10 0.50 0.00 0.41 0.95 0.00 0.00 175.26 177.22 2jbr n GLY 159 N 2.29 0.61 0.00 -3.83 0.00 -1.26 -4.91 105.19 98.09 2jbr n GLY 159 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.32 3.26 -0.02 0.00 -1.25 -1.18 105.19 102.92 2jbr n GLY 160 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.77 -0.15 -0.61 -4.36 -0.48 -2.65 121.20 109.72 2jbr s ILE 161 Ca 0.00 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 58.38 2jbr s ILE 161 Cb 0.00 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.56 2jbr s ILE 161 CO 0.00 -0.47 -0.10 -0.63 0.24 0.00 0.00 174.94 173.98 2jbr s ILE 162 N -3.59 3.20 -0.09 8.37 1.01 0.31 -1.14 121.20 129.26 2jbr s ILE 162 Ca 0.24 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2jbr s ILE 162 Cb 0.06 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 2jbr s ILE 162 CO 0.05 0.50 -0.20 -0.22 0.00 0.00 0.00 174.94 175.06 2jbr s LEU 163 N 0.61 2.33 -0.00 2.97 2.96 0.75 -0.83 118.68 127.47 2jbr s LEU 163 Ca -0.06 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2jbr s LEU 163 Cb -0.15 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2jbr s LEU 163 CO 0.03 0.21 -0.20 0.20 -1.32 0.00 0.00 176.35 175.27 2jbr s ASN 164 N 0.07 2.36 0.00 3.68 -0.87 -0.59 -1.33 114.94 118.26 2jbr s ASN 164 Ca -0.09 -0.40 0.00 0.00 -1.57 0.00 0.00 52.86 50.80 2jbr s ASN 164 Cb -0.15 -0.25 0.00 0.00 -0.02 0.00 0.00 41.25 40.83 2jbr s ASN 164 CO 0.06 0.22 0.00 0.61 -2.57 0.00 0.00 177.10 175.42 2jbr n GLY 165 N 2.41 3.06 3.60 0.66 0.00 -0.62 0.17 105.19 114.47 2jbr n GLY 165 Ca -0.16 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2jbr n GLY 165 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jbr s ASP 166 N 0.00 6.31 -0.60 1.61 1.01 -1.26 -1.08 116.67 122.66 2jbr s ASP 166 Ca 0.00 0.26 -0.05 0.00 0.71 0.00 0.00 52.55 53.47 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 -0.28 0.43 -0.31 0.21 0.00 0.00 175.17 175.22 2jbr s TYR 167 N 2.20 3.48 0.87 4.23 2.02 0.12 -4.84 117.35 125.42 2jbr s TYR 167 Ca 0.17 -2.50 -0.12 0.00 -0.37 0.00 0.00 57.07 54.25 2jbr s TYR 167 Cb -0.16 -3.31 0.11 0.00 -0.40 0.00 0.00 41.96 38.21 2jbr s TYR 167 CO 0.10 -0.89 1.12 0.20 -1.57 0.00 0.00 175.55 174.51 2jbr s GLY 168 N 1.23 1.59 -1.16 0.71 0.00 -1.26 -0.07 107.32 108.37 2jbr s GLY 168 Ca 0.15 -0.41 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 2jbr s GLY 168 CO -0.04 0.10 0.80 0.79 0.00 0.00 0.00 173.10 174.75 2jbr n TRP 169 N -3.64 -2.04 -3.37 1.90 8.01 -1.18 -4.71 117.44 112.40 2jbr n TRP 169 Ca 0.07 0.64 -0.45 0.00 -1.31 0.00 0.00 57.50 56.44 2jbr n TRP 169 Cb 0.58 -3.81 -0.02 0.00 -2.01 0.00 0.00 31.31 26.05 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 -3.66 6.79 0.28 -0.99 0.15 -0.09 -4.75 113.70 111.44 2jbr s SER 170 Ca 0.36 -3.03 -0.30 0.00 0.70 0.00 0.00 55.95 53.69 2jbr s SER 170 Cb -0.10 -2.17 -0.12 0.00 -1.71 0.00 0.00 66.02 61.91 2jbr s SER 170 CO 0.82 -0.45 1.54 -1.20 1.20 0.00 0.00 173.24 175.15 2jbr n SER 171 N 3.48 3.55 -0.03 5.45 7.64 -1.26 -2.13 113.62 130.31 2jbr n SER 171 Ca 0.17 1.15 -0.00 0.00 1.01 0.00 0.00 58.87 61.19 2jbr n SER 171 Cb 0.44 -1.55 -0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 2.06 0.36 0.27 0.23 0.00 -0.13 -4.60 105.19 103.38 2jbr n GLY 172 Ca 0.09 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.16 0.00 -0.02 0.00 3.32 -1.85 -3.00 116.42 115.02 2jbr h ASP 174 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2jbr h ASP 174 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2jbr h ASP 174 CO -0.00 0.05 -0.02 1.41 -1.72 0.00 0.00 179.24 178.95 2jbr n HIS 175 N -3.37 0.00 -3.80 4.55 8.25 -0.43 -4.99 115.22 115.44 2jbr n HIS 175 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 2jbr n HIS 175 Cb 0.18 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.26 3.90 -0.68 -1.41 0.00 -1.14 -4.84 121.76 116.34 2jbr s ALA 176 Ca 0.17 -0.73 0.23 0.00 0.00 0.00 0.00 51.96 51.62 2jbr s ALA 176 Cb 0.12 -1.97 0.07 0.00 0.00 0.00 0.00 23.12 21.34 2jbr s ALA 176 CO 0.19 0.71 1.05 0.39 0.00 0.00 0.00 175.76 178.10 2jbr n GLU 177 N 0.06 0.24 -4.11 0.00 4.71 -0.45 -4.87 120.64 116.21 2jbr n GLU 177 Ca -0.04 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.01 2jbr n GLU 177 Cb 0.52 -1.57 -0.10 0.00 -1.01 0.00 0.00 31.44 29.28 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 -3.16 0.72 -0.01 -0.32 2.02 -1.00 -0.91 117.35 114.69 2jbr s TYR 178 Ca 0.05 -1.13 0.04 0.00 -0.37 0.00 0.00 57.07 55.65 2jbr s TYR 178 Cb 0.15 -0.41 -0.01 0.00 -0.40 0.00 0.00 41.96 41.29 2jbr s TYR 178 CO 0.80 -0.51 -0.12 0.00 -1.57 0.00 0.00 175.55 174.14 2jbr s ALA 179 N -4.01 1.03 -0.21 3.71 0.00 -0.21 -1.07 121.76 121.01 2jbr s ALA 179 Ca 0.19 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 2jbr s ALA 179 Cb 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2jbr s ALA 179 CO -0.01 0.25 0.17 0.42 0.00 0.00 0.00 175.76 176.59 2jbr s ILE 180 N -0.30 5.37 -0.05 0.00 1.01 0.87 -1.45 121.20 126.65 2jbr s ILE 180 Ca 0.05 0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.98 2jbr s ILE 180 Cb -0.05 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 2jbr s ILE 180 CO -0.00 0.39 -0.17 -0.69 0.00 0.00 0.00 174.94 174.46 2jbr s VAL 181 N 0.68 1.46 -0.10 2.92 1.01 -0.17 -1.50 120.40 124.71 2jbr s VAL 181 Ca 0.09 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2jbr s VAL 181 Cb -0.12 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 2jbr s VAL 181 CO 0.01 0.42 0.22 -0.83 0.00 0.00 0.00 175.10 174.92 2jbr s GLY 182 N 0.14 2.24 0.07 4.51 0.00 -0.86 -0.89 107.32 112.53 2jbr s GLY 182 Ca -0.06 -0.53 -0.21 0.00 0.00 0.00 0.00 44.72 43.92 2jbr s GLY 182 CO 0.03 -0.18 0.50 -0.11 0.00 0.00 0.00 173.10 173.34 2jbr s PHE 183 N -0.91 -0.39 -0.21 1.90 -0.12 -0.51 -4.02 117.98 113.72 2jbr s PHE 183 Ca 0.17 0.35 -0.15 0.00 -0.05 0.00 0.00 56.93 57.25 2jbr s PHE 183 Cb -0.13 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2jbr s PHE 183 CO 0.06 -0.67 0.36 -0.80 -0.05 0.00 0.00 175.22 174.12 2jbr s ASN 184 N -2.20 6.38 0.42 1.98 0.02 -1.26 -0.61 114.94 119.67 2jbr s ASN 184 Ca -0.03 0.45 0.08 0.00 -1.02 0.00 0.00 52.86 52.34 2jbr s ASN 184 Cb -0.00 -2.21 0.01 0.00 0.02 0.00 0.00 41.25 39.06 2jbr s ASN 184 CO -0.05 -0.05 0.54 -0.13 0.02 0.00 0.00 177.10 177.43 2jbr s ARG 185 N 1.26 2.77 -0.03 -0.60 0.52 -0.29 -4.78 118.95 117.80 2jbr s ARG 185 Ca 0.17 -1.29 0.05 0.00 -0.52 0.00 0.00 55.73 54.13 2jbr s ARG 185 Cb -0.14 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 2jbr s ARG 185 CO 0.07 -0.26 -0.17 -0.06 0.02 0.00 0.00 175.30 174.90 2jbr s PHE 186 N -2.37 1.68 0.71 -0.53 0.40 -1.26 0.64 117.98 117.24 2jbr s PHE 186 Ca 0.54 -0.43 -0.16 0.00 -0.60 0.00 0.00 56.93 56.28 2jbr s PHE 186 Cb -0.09 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 2jbr s PHE 186 CO 0.32 -0.12 0.55 -0.25 0.70 0.00 0.00 175.22 176.42 2jbr n ASP 187 N 2.97 -1.09 -0.28 1.36 8.00 -0.09 -4.77 116.55 122.65 2jbr n ASP 187 Ca -0.17 0.61 0.25 0.00 0.71 0.00 0.00 54.79 56.19 2jbr n ASP 187 Cb 0.53 -1.22 0.43 0.00 -0.02 0.00 0.00 41.12 40.84 2jbr n ASP 187 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jbr n ALA 188 N -2.33 0.83 0.03 2.24 0.00 -1.26 -1.19 120.51 118.83 2jbr n ALA 188 Ca 0.10 0.60 0.07 0.00 0.00 0.00 0.00 53.44 54.22 2jbr n ALA 188 Cb 0.50 -0.69 0.16 0.00 0.00 0.00 0.00 19.45 19.41 2jbr n ALA 188 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jbr n ASP 189 N -4.15 2.91 0.00 0.00 8.00 -1.26 -4.99 116.55 117.06 2jbr n ASP 189 Ca 0.26 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.88 2jbr n ASP 189 Cb 0.97 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 2jbr n ASP 189 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jbr n GLY 190 N 0.83 0.67 3.79 0.44 0.00 -0.33 -5.06 105.19 105.53 2jbr n GLY 190 Ca 0.13 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.12 7.28 0.24 1.61 0.01 -1.26 -4.67 114.94 116.02 2jbr s ASN 191 Ca 0.00 1.70 -0.31 0.00 -0.71 0.00 0.00 52.86 53.54 2jbr s ASN 191 Cb 0.00 -2.53 -0.11 0.00 0.41 0.00 0.00 41.25 39.03 2jbr s ASN 191 CO 0.00 0.00 1.56 -0.54 -1.51 0.00 0.00 177.10 176.61 2jbr s LYS 192 N -1.89 4.19 -0.44 -0.60 1.02 -1.26 -0.91 119.74 119.84 2jbr s LYS 192 Ca 0.46 2.45 0.02 0.00 0.02 0.00 0.00 55.97 58.92 2jbr s LYS 192 Cb -0.19 -3.09 0.12 0.00 -0.52 0.00 0.00 37.83 34.15 2jbr s LYS 192 CO 0.24 -0.57 0.19 0.42 -0.92 0.00 0.00 175.35 174.70 2jbr s ILE 193 N 0.39 2.74 -0.05 2.17 -1.09 0.21 -4.88 121.20 120.68 2jbr s ILE 193 Ca 0.65 -2.66 -0.30 0.00 -2.23 0.00 0.00 60.65 56.12 2jbr s ILE 193 Cb -0.45 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.45 2jbr s ILE 193 CO 0.41 -0.71 1.62 -0.47 -1.23 0.00 0.00 174.94 174.56 2jbr s TYR 194 N 0.47 2.07 0.12 3.97 5.04 -1.26 -1.14 117.35 126.62 2jbr s TYR 194 Ca 0.13 0.26 0.04 0.00 -2.44 0.00 0.00 57.07 55.06 2jbr s TYR 194 Cb -0.22 -3.89 -0.04 0.00 0.35 0.00 0.00 41.96 38.17 2jbr s TYR 194 CO -0.04 -3.69 -0.10 -1.12 -1.34 0.00 0.00 175.55 169.26 2jbr s SER 195 N 3.18 1.56 -0.04 4.32 0.01 0.22 -1.21 113.70 121.74 2jbr s SER 195 Ca 0.72 -0.91 0.07 0.00 1.31 0.00 0.00 55.95 57.14 2jbr s SER 195 Cb -0.33 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 2jbr s SER 195 CO 0.29 -0.31 -0.24 -0.36 0.41 0.00 0.00 173.24 173.03 2jbr s PHE 196 N -2.89 2.41 -0.06 2.43 0.08 0.84 -1.42 117.98 119.37 2jbr s PHE 196 Ca 0.10 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 56.69 2jbr s PHE 196 Cb -0.00 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2jbr s PHE 196 CO -0.00 -0.08 -0.23 0.20 -0.10 0.00 0.00 175.22 175.01 2jbr s GLY 197 N -0.46 1.21 -0.26 4.36 0.00 -0.07 -1.02 107.32 111.08 2jbr s GLY 197 Ca 0.05 -0.93 -0.12 0.00 0.00 0.00 0.00 44.72 43.72 2jbr s GLY 197 CO 0.01 -0.49 0.22 0.14 0.00 0.00 0.00 173.10 172.98 2jbr s VAL 198 N 0.02 5.30 0.06 1.40 1.01 -0.55 -1.00 120.40 126.64 2jbr s VAL 198 Ca -0.07 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.25 2jbr s VAL 198 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2jbr s VAL 198 CO 0.04 0.27 -0.20 0.27 0.00 0.00 0.00 175.10 175.48 2jbr s ILE 199 N 1.56 1.58 0.57 2.22 -4.36 -0.53 -4.91 121.20 117.33 2jbr s ILE 199 Ca 0.09 -1.25 -0.15 0.00 -0.26 0.00 0.00 60.65 59.07 2jbr s ILE 199 Cb -0.15 -1.40 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 2jbr s ILE 199 CO 0.09 0.10 1.03 -2.16 0.24 0.00 0.00 174.94 174.23 2jbr s PRO 200 N -1.37 3.57 0.47 0.37 0.04 -1.26 -1.04 135.00 135.78 2jbr s PRO 200 Ca 0.06 1.05 0.29 0.00 0.04 0.00 0.00 61.00 62.45 2jbr s PRO 200 Cb -0.09 -2.08 1.36 0.00 0.04 0.00 0.00 34.50 33.74 2jbr s PRO 200 CO 0.02 -0.59 1.76 -0.09 0.04 0.00 0.00 177.00 178.14 2jbr h ARG 201 N 0.51 0.16 0.00 4.56 9.65 -1.36 0.38 114.38 128.28 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 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2jbr h ARG 201 CO 0.59 0.11 0.00 -1.13 2.80 0.00 0.00 179.97 182.34 2jbr n SER 202 N -4.41 0.71 -0.24 -3.80 3.41 -1.26 -3.09 113.62 104.94 2jbr n SER 202 Ca 0.28 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.70 2jbr n SER 202 Cb 1.15 -0.83 0.39 0.00 -0.26 0.00 0.00 64.21 64.65 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 1.00 -3.95 4.04 8.00 0.12 -4.93 116.55 118.54 2jbr n ASP 203 Ca 0.02 -0.87 -0.09 0.00 0.71 0.00 0.00 54.79 54.56 2jbr n ASP 203 Cb 0.23 0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.37 2jbr n ASP 203 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2jbr s TYR 204 N -2.50 0.26 -0.16 1.24 -0.85 -1.18 -4.59 117.35 109.56 2jbr s TYR 204 Ca 0.24 -0.65 -0.07 0.00 -0.52 0.00 0.00 57.07 56.07 2jbr s TYR 204 Cb 0.19 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 2jbr s TYR 204 CO 0.52 -0.42 0.08 -2.00 -1.52 0.00 0.00 175.55 172.21 2jbr s GLU 205 N -3.23 3.80 -0.43 -3.49 2.12 -0.80 -4.92 118.70 111.74 2jbr s GLU 205 Ca 0.00 -0.30 -0.25 0.00 0.36 0.00 0.00 54.97 54.78 2jbr s GLU 205 Cb 0.02 -3.18 0.02 0.00 0.26 0.00 0.00 34.13 31.25 2jbr s GLU 205 CO -0.07 0.41 0.92 0.42 -0.54 0.00 0.00 175.26 176.40 2jbr s ILE 206 N -0.01 4.51 -0.23 -3.70 1.01 -1.26 0.05 121.20 121.58 2jbr s ILE 206 Ca 0.07 0.86 -0.17 0.00 0.00 0.00 0.00 60.65 61.41 2jbr s ILE 206 Cb -0.12 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 2jbr s ILE 206 CO 0.01 -0.75 0.46 -0.69 0.00 0.00 0.00 174.94 173.96 2jbr s VAL 207 N 3.67 5.14 -1.04 2.92 1.01 0.29 -4.97 120.40 127.42 2jbr s VAL 207 Ca 0.37 0.80 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 2jbr s VAL 207 Cb -0.11 -3.78 0.10 0.00 0.00 0.00 0.00 36.38 32.60 2jbr s VAL 207 CO 0.24 0.18 1.35 -0.62 0.00 0.00 0.00 175.10 176.24 2jbr s ASP 208 N 1.29 6.68 -0.11 3.32 -1.08 -1.26 -1.91 116.67 123.59 2jbr s ASP 208 Ca 0.20 -2.03 0.14 0.00 -0.52 0.00 0.00 52.55 50.34 2jbr s ASP 208 Cb -0.15 -2.48 0.34 0.00 -1.46 0.00 0.00 42.92 39.18 2jbr s ASP 208 CO 0.09 -1.18 1.25 -0.46 0.52 0.00 0.00 175.17 175.39 2jbr n ASN 209 N 7.40 2.97 -4.55 -0.34 6.94 -1.26 -4.96 115.26 121.45 2jbr n ASN 209 Ca 0.32 -2.76 -0.42 0.00 -0.02 0.00 0.00 54.58 51.70 2jbr n ASN 209 Cb 0.48 -0.39 -0.02 0.00 -2.36 0.00 0.00 39.78 37.50 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 -2.34 2.72 -0.42 -2.53 -0.00 -1.26 -4.88 118.94 110.23 2jbr s TRP 210 Ca 0.30 -1.23 0.02 0.00 -0.00 0.00 0.00 56.10 55.20 2jbr s TRP 210 Cb 0.24 -4.66 0.12 0.00 -0.00 0.00 0.00 33.47 29.17 2jbr s TRP 210 CO 0.07 -1.83 0.19 0.71 -0.00 0.00 0.00 176.95 176.09 2jbr s TYR 211 N 4.34 2.54 0.35 5.86 2.02 -1.26 -4.99 117.35 126.20 2jbr s TYR 211 Ca 0.47 -2.61 0.05 0.00 -0.37 0.00 0.00 57.07 54.61 2jbr s TYR 211 Cb 0.01 -2.28 -0.07 0.00 -0.40 0.00 0.00 41.96 39.22 2jbr s TYR 211 CO -0.03 -0.81 0.04 0.00 -1.57 0.00 0.00 175.55 173.18 2jbr s ALA 212 N 0.47 2.57 -1.56 3.71 0.00 -1.26 -5.06 121.76 120.63 2jbr s ALA 212 Ca 0.15 -2.12 0.17 0.00 0.00 0.00 0.00 51.96 50.16 2jbr s ALA 212 Cb -0.23 0.53 0.45 0.00 0.00 0.00 0.00 23.12 23.87 2jbr s ALA 212 CO -0.05 -0.26 1.37 1.04 0.00 0.00 0.00 175.76 177.86 2jbr n GLN 213 N -0.76 2.65 -3.61 0.00 1.13 -1.26 -4.84 117.38 110.69 2jbr n GLN 213 Ca -0.03 -2.29 -0.10 0.00 -1.94 0.00 0.00 57.00 52.64 2jbr n GLN 213 Cb 0.67 -1.42 -0.03 0.00 0.11 0.00 0.00 30.24 29.57 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 -1.05 -1.16 -1.27 -1.58 0.00 -1.26 -4.76 121.76 110.66 2jbr s ALA 214 Ca 0.35 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 2jbr s ALA 214 Cb 0.19 0.82 0.07 0.00 0.00 0.00 0.00 23.12 24.20 2jbr s ALA 214 CO 0.25 -0.76 0.18 0.44 0.00 0.00 0.00 175.76 175.87 2jbr n ILE 215 N -0.33 -0.46 -0.30 0.00 -5.35 -1.26 -4.79 119.36 106.87 2jbr n ILE 215 Ca -0.14 -0.23 0.03 0.00 -0.27 0.00 0.00 62.75 62.14 2jbr n ILE 215 Cb 0.63 -0.61 0.22 0.00 -1.74 0.00 0.00 39.64 38.15 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 -0.93 1.05 0.00 6.28 1.57 -1.89 -0.92 116.57 121.73 2jbr h LYS 216 Ca -0.48 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2jbr h LYS 216 Cb 1.06 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2jbr h LYS 216 CO 0.59 0.70 0.00 -1.13 -0.57 0.00 0.00 179.45 179.04 2jbr n SER 217 N -4.46 0.00 0.23 0.86 3.41 -1.26 -3.14 113.62 109.26 2jbr n SER 217 Ca 0.13 -0.78 0.12 0.00 -0.26 0.00 0.00 58.87 58.08 2jbr n SER 217 Cb 0.14 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.54 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 -5.69 4.04 4.64 -1.26 -0.77 113.55 114.51 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 0.15 -0.78 0.61 -0.87 0.00 0.00 176.83 175.94 2jbr n GLY 219 N 0.34 -0.39 2.36 -0.77 0.00 -1.19 -0.96 105.19 104.59 2jbr n GLY 219 Ca 0.01 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.13 8.14 -4.23 1.61 7.64 -1.26 -3.55 113.62 118.85 2jbr n SER 220 Ca -0.28 -2.82 -0.30 0.00 1.01 0.00 0.00 58.87 56.49 2jbr n SER 220 Cb 0.67 -1.46 0.18 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.61 0.36 -0.02 1.43 1.02 -1.25 -3.58 119.74 118.31 2jbr s LYS 221 Ca 0.63 -0.16 -0.05 0.00 0.02 0.00 0.00 55.97 56.42 2jbr s LYS 221 Cb 0.20 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.68 2jbr s LYS 221 CO -0.08 -2.64 0.20 1.41 -0.92 0.00 0.00 175.35 173.33 2jbr s MET 222 N -5.63 3.49 -0.26 1.68 -2.45 -0.80 -0.91 119.30 114.41 2jbr s MET 222 Ca 0.70 -0.21 -0.09 0.00 -1.25 0.00 0.00 55.69 54.84 2jbr s MET 222 Cb -0.08 -3.10 -0.04 0.00 1.25 0.00 0.00 34.83 32.86 2jbr s MET 222 CO 0.53 0.68 0.12 -0.51 1.05 0.00 0.00 175.02 176.89 2jbr s LEU 223 N -1.75 3.69 -0.30 4.11 1.43 0.90 -0.54 118.68 126.22 2jbr s LEU 223 Ca 0.26 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 2jbr s LEU 223 Cb -0.13 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2jbr s LEU 223 CO 0.16 -0.02 0.31 -0.75 0.23 0.00 0.00 176.35 176.27 2jbr s LYS 224 N 1.57 3.85 -0.26 1.70 2.20 0.11 0.10 119.74 129.01 2jbr s LYS 224 Ca 0.06 -0.22 -0.05 0.00 -0.36 0.00 0.00 55.97 55.41 2jbr s LYS 224 Cb -0.15 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2jbr s LYS 224 CO 0.06 -0.32 0.01 -0.51 -0.36 0.00 0.00 175.35 174.23 2jbr s LEU 225 N 1.95 3.39 -0.27 5.43 1.02 -0.24 -1.91 118.68 128.04 2jbr s LEU 225 Ca 0.11 -0.61 -0.00 0.00 0.02 0.00 0.00 54.13 53.65 2jbr s LEU 225 Cb -0.16 -1.79 0.05 0.00 0.02 0.00 0.00 46.19 44.30 2jbr s LEU 225 CO 0.11 -0.11 -0.06 -0.69 0.02 0.00 0.00 176.35 175.62 2jbr s VAL 226 N 1.46 2.68 -1.33 -1.59 1.01 -1.26 -1.59 120.40 119.79 2jbr s VAL 226 Ca 0.03 -1.36 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 2jbr s VAL 226 Cb -0.16 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.75 2jbr s VAL 226 CO -0.01 0.01 0.47 0.59 0.00 0.00 0.00 175.10 176.17 2jbr n ASN 227 N 4.58 -2.34 -4.65 3.32 5.03 -1.21 -4.89 115.26 115.09 2jbr n ASN 227 Ca -0.15 -1.22 -0.42 0.00 0.87 0.00 0.00 54.58 53.67 2jbr n ASN 227 Cb 0.44 -2.07 -0.04 0.00 -1.02 0.00 0.00 39.78 37.09 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 -3.82 4.86 -0.19 2.41 1.01 -0.44 -4.81 120.40 119.41 2jbr s VAL 228 Ca 0.29 1.56 -0.23 0.00 0.00 0.00 0.00 61.98 63.59 2jbr s VAL 228 Cb -0.15 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 2jbr s VAL 228 CO 0.95 -0.03 0.75 0.12 0.00 0.00 0.00 175.10 176.89 2jbr s PHE 229 N 2.58 3.39 -0.26 5.22 2.19 -1.26 -0.18 117.98 129.65 2jbr s PHE 229 Ca 0.35 1.10 -0.02 0.00 0.33 0.00 0.00 56.93 58.70 2jbr s PHE 229 Cb -0.16 -2.93 0.03 0.00 -1.31 0.00 0.00 43.02 38.65 2jbr s PHE 229 CO 0.09 -0.24 -0.04 0.42 1.83 0.00 0.00 175.22 177.29 2jbr s ILE 230 N 2.15 3.00 0.55 3.12 1.01 -0.29 -5.00 121.20 125.75 2jbr s ILE 230 Ca 0.34 -1.06 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 2jbr s ILE 230 Cb -0.16 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 2jbr s ILE 230 CO 0.11 0.13 1.17 -2.16 0.00 0.00 0.00 174.94 174.19 2jbr s PRO 231 N 1.33 3.24 0.35 2.79 0.04 -1.26 -1.38 135.00 140.11 2jbr s PRO 231 Ca -0.01 1.72 0.12 0.00 0.04 0.00 0.00 61.00 62.87 2jbr s PRO 231 Cb -0.17 -2.01 0.94 0.00 0.04 0.00 0.00 34.50 33.29 2jbr s PRO 231 CO -0.03 -0.96 1.77 1.49 0.04 0.00 0.00 177.00 179.30 2jbr h GLU 232 N 1.16 0.54 0.00 4.56 4.57 -1.51 -0.07 114.58 123.82 2jbr h GLU 232 Ca -0.50 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2jbr h GLU 232 Cb 1.27 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2jbr h GLU 232 CO 0.56 0.35 0.00 2.48 -1.18 0.00 0.00 179.01 181.23 2jbr n TYR 233 N -4.73 0.00 -0.78 0.92 0.18 -1.26 -1.76 117.16 109.73 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 0.74 -0.46 0.26 0.00 -0.38 0.00 0.00 39.34 39.51 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 -1.46 3.20 -5.00 -3.48 1.74 -0.04 -4.50 116.66 107.12 2jbr n ARG 234 Ca 0.05 -2.71 -0.32 0.00 -0.77 0.00 0.00 57.85 54.10 2jbr n ARG 234 Cb 0.18 -1.77 -0.17 0.00 -1.02 0.00 0.00 32.46 29.68 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 -2.34 2.00 0.01 0.55 1.01 -0.72 -1.48 121.20 120.23 2jbr s ILE 235 Ca 0.40 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2jbr s ILE 235 Cb 0.30 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2jbr s ILE 235 CO 0.13 0.54 -0.19 -0.44 0.00 0.00 0.00 174.94 174.98 2jbr s SER 236 N 0.52 2.29 0.21 3.58 0.01 -0.19 -4.97 113.70 115.15 2jbr s SER 236 Ca -0.15 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 2jbr s SER 236 Cb -0.17 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.75 2jbr s SER 236 CO 0.05 0.19 1.22 -0.54 0.41 0.00 0.00 173.24 174.57 2jbr s LYS 237 N -0.79 4.47 0.17 12.44 1.02 -1.26 -0.11 119.74 135.69 2jbr s LYS 237 Ca 0.07 1.93 -0.14 0.00 0.02 0.00 0.00 55.97 57.85 2jbr s LYS 237 Cb -0.08 -3.21 0.09 0.00 -0.52 0.00 0.00 37.83 34.11 2jbr s LYS 237 CO 0.00 -0.10 1.82 0.00 -0.92 0.00 0.00 175.35 176.15 2jbr h ALA 238 N 4.98 0.65 -0.51 5.17 0.00 -1.50 -2.77 119.26 125.29 2jbr h ALA 238 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2jbr h ALA 238 Cb 1.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jbr h ALA 238 CO 0.74 0.01 0.24 -0.22 0.00 0.00 0.00 179.25 180.02 2jbr h LYS 239 N 0.61 0.71 -0.65 0.00 3.64 -1.93 -1.52 116.57 117.42 2jbr h LYS 239 Ca 0.20 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2jbr h LYS 239 Cb 0.01 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2jbr h LYS 239 CO -0.08 0.55 0.28 -0.44 -2.27 0.00 0.00 179.45 177.49 2jbr h ASP 240 N 0.71 0.86 0.90 4.20 3.32 -1.85 -1.93 116.42 122.62 2jbr h ASP 240 Ca 0.18 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2jbr h ASP 240 Cb 0.08 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2jbr h ASP 240 CO -0.02 0.75 -0.13 0.23 -1.72 0.00 0.00 179.24 178.35 2jbr n MET 241 N -4.32 0.02 0.04 3.56 2.81 -0.72 -0.40 117.12 118.11 2jbr n MET 241 Ca 0.06 0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.93 2jbr n MET 241 Cb 0.16 -1.52 -0.08 0.00 -0.71 0.00 0.00 33.22 31.07 2jbr n MET 241 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2jbr h MET 242 N 0.00 0.00 -0.04 0.03 2.86 -0.86 -0.58 114.93 116.34 2jbr h MET 242 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jbr h MET 242 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2jbr h MET 242 CO 0.00 0.49 0.00 0.39 1.06 0.00 0.00 176.91 178.85 2jbr n GLU 243 N -3.06 2.98 -3.09 1.72 1.02 -0.77 -4.04 120.64 115.40 2jbr n GLU 243 Ca -0.08 -1.56 -0.14 0.00 -0.02 0.00 0.00 57.16 55.36 2jbr n GLU 243 Cb 0.89 -1.03 0.06 0.00 -0.02 0.00 0.00 31.44 31.34 2jbr n GLU 243 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jbr n GLY 244 N -0.38 -0.11 0.00 0.62 0.00 -0.78 -4.95 105.19 99.59 2jbr n GLY 244 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jbr n GLY 244 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jbr n LYS 245 N -3.36 0.63 -1.84 1.61 5.02 0.46 -4.93 118.16 115.76 2jbr n LYS 245 Ca -0.13 -0.66 -0.29 0.00 -2.02 0.00 0.00 58.31 55.20 2jbr n LYS 245 Cb 0.59 -0.73 0.13 0.00 -0.02 0.00 0.00 35.03 35.00 2jbr n LYS 245 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jbr s SER 246 N -0.27 3.82 0.46 4.39 1.04 -1.14 -4.92 113.70 117.08 2jbr s SER 246 Ca 0.00 0.63 0.15 0.00 0.48 0.00 0.00 55.95 57.21 2jbr s SER 246 Cb 0.00 -0.98 1.05 0.00 0.10 0.00 0.00 66.02 66.19 2jbr s SER 246 CO 0.00 -2.32 2.02 0.00 0.98 0.00 0.00 173.24 173.92 2jbr h ALA 247 N -1.35 1.76 -0.01 5.32 0.00 -1.85 -2.48 119.26 120.65 2jbr h ALA 247 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2jbr h ALA 247 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2jbr h ALA 247 CO 0.55 0.18 -0.01 0.41 0.00 0.00 0.00 179.25 180.39 2jbr n GLY 248 N -1.12 -0.10 3.74 0.00 0.00 -0.21 -4.65 105.19 102.85 2jbr n GLY 248 Ca -0.02 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.02 2.82 0.00 1.61 5.36 -0.94 -2.55 117.98 122.26 2jbr s PHE 249 Ca 0.38 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 57.12 2jbr s PHE 249 Cb 0.21 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 2jbr s PHE 249 CO 0.35 -3.52 0.00 0.41 -1.46 0.00 0.00 175.22 170.99 2jbr n GLY 250 N 2.42 0.86 0.24 13.12 0.00 -1.26 -4.92 105.19 115.65 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 0.47 -6.94 0.99 3.38 -1.86 -3.37 115.31 107.98 2jbr h LEU 251 Ca 0.00 -0.14 -0.61 0.00 0.09 0.00 0.00 57.88 57.21 2jbr h LEU 251 Cb 0.00 -0.13 -0.41 0.00 0.09 0.00 0.00 40.66 40.21 2jbr h LEU 251 CO 0.00 0.69 -0.66 -0.31 0.09 0.00 0.00 178.44 178.25 2jbr s TYR 252 N -4.58 3.01 -0.09 1.13 2.02 -1.26 -4.97 117.35 112.61 2jbr s TYR 252 Ca -0.07 -3.10 0.30 0.00 -0.37 0.00 0.00 57.07 53.83 2jbr s TYR 252 Cb 0.14 -2.32 1.29 0.00 -0.40 0.00 0.00 41.96 40.67 2jbr s TYR 252 CO 0.78 -0.62 1.90 -1.35 -1.57 0.00 0.00 175.55 174.69 2jbr h PRO 253 N 5.52 0.00 -0.02 -1.71 0.11 -2.01 -1.74 132.00 132.15 2jbr h PRO 253 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2jbr h PRO 253 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2jbr h PRO 253 CO 0.64 0.00 -0.17 -0.25 -0.21 0.00 0.00 178.00 178.01 2jbr n ASP 254 N -2.73 1.98 -4.74 -2.05 8.00 -1.26 -4.98 116.55 110.77 2jbr n ASP 254 Ca 0.01 -1.53 -0.41 0.00 0.71 0.00 0.00 54.79 53.56 2jbr n ASP 254 Cb 0.25 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 2jbr n ASP 254 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jbr s SER 255 N -2.22 6.86 0.00 -2.24 0.15 -0.66 -4.92 113.70 110.67 2jbr s SER 255 Ca 0.28 2.46 0.25 0.00 0.70 0.00 0.00 55.95 59.63 2jbr s SER 255 Cb 0.20 -2.61 0.74 0.00 -1.71 0.00 0.00 66.02 62.63 2jbr s SER 255 CO 0.42 -0.54 1.57 0.29 1.20 0.00 0.00 173.24 176.17 2jbr n LYS 256 N 2.43 1.90 0.00 5.44 5.02 -1.26 -4.51 118.16 127.17 2jbr n LYS 256 Ca 0.06 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 2jbr n LYS 256 Cb 0.42 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.58 0.00 0.53 -0.18 -5.35 -1.26 -3.07 119.36 110.60 2jbr n ILE 257 Ca 0.17 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.77 2jbr n ILE 257 Cb 0.42 0.11 0.19 0.00 -1.74 0.00 0.00 39.64 38.63 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 -1.66 4.28 0.04 -1.89 -3.39 116.94 114.33 2jbr h PHE 258 Ca 0.00 0.00 -0.76 0.00 2.80 0.00 0.00 57.97 60.01 2jbr h PHE 258 Cb 0.13 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 38.11 2jbr h PHE 258 CO 0.00 0.00 1.80 0.66 -0.60 0.00 0.00 178.31 180.17 2jbr n TYR 259 N -2.21 3.14 -3.54 -0.55 4.01 -1.26 -4.87 117.16 111.87 2jbr n TYR 259 Ca 0.03 -2.85 -0.10 0.00 -0.16 0.00 0.00 57.90 54.82 2jbr n TYR 259 Cb 0.45 -1.90 -0.04 0.00 -0.31 0.00 0.00 39.34 37.54 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 0.17 0.00 0.36 -0.72 -1.32 -1.26 -4.12 115.64 108.75 2jbr s THR 260 Ca 0.39 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.59 2jbr s THR 260 Cb 0.07 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.95 2jbr s THR 260 CO 0.01 0.00 1.45 -2.65 -2.21 0.00 0.00 174.62 171.22 2jbr n PRO 261 N 0.32 2.55 -0.13 7.08 -0.02 -1.26 -4.82 135.00 138.72 2jbr n PRO 261 Ca -0.10 0.90 -0.11 0.00 -2.02 0.00 0.00 63.50 62.16 2jbr n PRO 261 Cb 0.59 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.96 0.86 -0.50 6.00 -0.00 -1.38 -3.37 116.97 121.55 2jbr h TYR 262 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 58.73 58.05 2jbr h TYR 262 Cb 1.25 -0.21 -0.02 0.00 0.00 0.00 0.00 36.73 37.75 2jbr h TYR 262 CO 0.53 0.90 0.33 -0.09 -0.00 0.00 0.00 178.16 179.83 2jbr h ARG 263 N 0.58 0.66 -0.67 0.10 2.43 -1.92 -1.32 114.38 114.23 2jbr h ARG 263 Ca 0.10 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 2jbr h ARG 263 Cb 0.63 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 2jbr h ARG 263 CO 0.04 0.44 0.44 -1.35 -1.51 0.00 0.00 179.97 178.03 2jbr h PRO 264 N 0.67 0.47 0.02 0.20 0.11 -1.96 -0.73 132.00 130.79 2jbr h PRO 264 Ca 0.18 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 2jbr h PRO 264 Cb -0.07 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 30.95 2jbr h PRO 264 CO -0.04 0.31 -0.55 1.88 -0.21 0.00 0.00 178.00 179.39 2jbr h TYR 265 N 0.49 0.51 -0.62 0.65 -1.99 -1.62 -2.87 116.97 111.51 2jbr h TYR 265 Ca 0.31 -0.29 0.13 0.00 2.00 0.00 0.00 58.73 60.87 2jbr h TYR 265 Cb 0.56 -0.05 -0.11 0.00 2.00 0.00 0.00 36.73 39.13 2jbr h TYR 265 CO -0.00 1.13 -0.09 0.35 -0.00 0.00 0.00 178.16 179.55 2jbr h PHE 266 N -0.26 -0.22 -0.62 4.88 3.57 -0.80 -2.80 116.94 120.69 2jbr h PHE 266 Ca -0.08 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jbr h PHE 266 Cb 1.30 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.24 2jbr h PHE 266 CO 0.17 -0.23 0.00 0.00 -2.23 0.00 0.00 178.31 176.01 2jbr n ALA 267 N -2.95 2.40 0.29 2.41 0.00 -0.32 -4.44 120.51 117.90 2jbr n ALA 267 Ca 0.08 -1.15 0.18 0.00 0.00 0.00 0.00 53.44 52.55 2jbr n ALA 267 Cb 0.34 -0.94 0.82 0.00 0.00 0.00 0.00 19.45 19.67 2jbr n ALA 267 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jbr h SER 268 N 4.06 0.00 1.70 0.00 4.64 -1.25 -3.22 113.55 119.48 2jbr h SER 268 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2jbr h SER 268 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 2jbr h SER 268 CO 0.00 0.01 -0.31 1.23 -0.87 0.00 0.00 176.83 176.89 2jbr h GLY 269 N 1.50 0.00 0.96 -0.77 0.00 -1.80 -3.23 103.07 99.72 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 0.11 0.74 0.00 0.00 0.00 176.54 177.39 2jbr h PHE 270 N 0.00 0.24 0.00 5.60 0.04 -1.91 -0.58 116.94 120.35 2jbr h PHE 270 Ca -0.01 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.58 2jbr h PHE 270 Cb 1.20 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 2jbr h PHE 270 CO 0.00 0.21 -0.86 0.66 -0.60 0.00 0.00 178.31 177.72 2jbr h SER 271 N 0.21 0.04 -0.30 2.17 4.64 -1.80 -2.32 113.55 116.18 2jbr h SER 271 Ca 0.06 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2jbr h SER 271 Cb 0.04 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2jbr h SER 271 CO -0.01 0.88 0.20 0.00 -0.87 0.00 0.00 176.83 177.03 2jbr h ALA 272 N 1.12 0.39 -0.61 5.18 0.00 -1.54 -0.12 119.26 123.67 2jbr h ALA 272 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jbr h ALA 272 Cb 1.52 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2jbr h ALA 272 CO 0.12 -0.15 0.38 0.28 0.00 0.00 0.00 179.25 179.87 2jbr h VAL 273 N 0.41 1.09 -0.26 0.00 2.07 -1.08 -1.68 116.25 116.80 2jbr h VAL 273 Ca 0.11 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2jbr h VAL 273 Cb -0.04 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2jbr h VAL 273 CO -0.03 0.14 0.14 -1.28 0.02 0.00 0.00 177.57 176.56 2jbr h SER 274 N 0.75 0.21 -0.77 0.57 0.87 -1.18 -1.18 113.55 112.82 2jbr h SER 274 Ca 0.24 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.84 2jbr h SER 274 Cb -0.01 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 2jbr h SER 274 CO -0.09 0.16 0.49 0.25 -0.53 0.00 0.00 176.83 177.11 2jbr h LEU 275 N 0.29 0.80 -0.44 2.23 5.85 -0.78 -1.69 115.31 121.56 2jbr h LEU 275 Ca 0.10 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 2jbr h LEU 275 Cb 0.02 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2jbr h LEU 275 CO -0.06 0.55 -0.20 1.23 -0.34 0.00 0.00 178.44 179.62 2jbr h GLY 276 N 0.94 0.99 0.81 3.75 0.00 -0.99 -0.07 103.07 108.51 2jbr h GLY 276 Ca 0.31 -0.88 0.02 0.00 0.00 0.00 0.00 47.33 46.78 2jbr h GLY 276 CO -0.12 0.80 0.06 -2.22 0.00 0.00 0.00 176.54 175.06 2jbr h ILE 277 N 0.74 0.93 -0.58 2.60 2.04 -1.12 -1.57 117.51 120.54 2jbr h ILE 277 Ca 0.10 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2jbr h ILE 277 Cb 0.76 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2jbr h ILE 277 CO 0.06 0.03 0.19 0.00 0.00 0.00 0.00 178.15 178.43 2jbr h ALA 278 N 1.14 0.76 -0.59 1.87 0.00 -1.05 0.22 119.26 121.61 2jbr h ALA 278 Ca 0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2jbr h ALA 278 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2jbr h ALA 278 CO -0.10 0.42 0.03 0.93 0.00 0.00 0.00 179.25 180.52 2jbr h GLU 279 N 0.82 1.00 -0.46 0.00 5.08 -1.00 -2.42 114.58 117.60 2jbr h GLU 279 Ca 0.19 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2jbr h GLU 279 Cb 0.27 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2jbr h GLU 279 CO -0.01 0.96 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.82 2jbr h ARG 280 N 0.93 0.86 -0.83 2.33 9.65 -0.99 -2.93 114.38 123.39 2jbr h ARG 280 Ca 0.17 -0.30 0.08 0.00 -1.10 0.00 0.00 59.98 58.83 2jbr h ARG 280 Cb 0.50 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.95 2jbr h ARG 280 CO 0.02 0.94 0.49 1.98 2.80 0.00 0.00 179.97 186.20 2jbr h MET 281 N 0.70 0.83 -0.20 0.20 4.05 -0.39 0.31 114.93 120.43 2jbr h MET 281 Ca 0.12 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2jbr h MET 281 Cb 0.59 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2jbr h MET 281 CO 0.04 0.55 0.13 0.82 0.23 0.00 0.00 176.91 178.67 2jbr h ILE 282 N 0.85 1.05 -0.01 1.77 2.04 -1.40 0.56 117.51 122.38 2jbr h ILE 282 Ca 0.38 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.14 2jbr h ILE 282 Cb 0.29 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2jbr h ILE 282 CO -0.22 0.05 0.01 -0.33 0.00 0.00 0.00 178.15 177.66 2jbr h GLU 283 N 0.27 0.02 -0.66 2.37 4.39 -1.16 -1.17 114.58 118.63 2jbr h GLU 283 Ca 0.07 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.79 2jbr h GLU 283 Cb -0.03 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 2jbr h GLU 283 CO -0.02 0.14 0.43 0.00 -1.16 0.00 0.00 179.01 178.40 2jbr h ALA 284 N 0.88 0.85 -0.60 3.43 0.00 -0.34 -1.15 119.26 122.33 2jbr h ALA 284 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jbr h ALA 284 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jbr h ALA 284 CO -0.00 0.23 0.22 0.35 0.00 0.00 0.00 179.25 180.05 2jbr h PHE 285 N 0.87 0.93 -0.88 0.00 3.57 -0.79 -1.91 116.94 118.73 2jbr h PHE 285 Ca 0.25 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.69 2jbr h PHE 285 Cb -0.06 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.36 2jbr h PHE 285 CO -0.03 0.76 0.57 0.87 -2.23 0.00 0.00 178.31 178.25 2jbr h LYS 286 N 0.84 1.11 -0.25 1.11 1.57 -0.85 -0.60 116.57 119.50 2jbr h LYS 286 Ca 0.20 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2jbr h LYS 286 Cb 0.24 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2jbr h LYS 286 CO -0.01 0.74 0.11 0.93 -0.57 0.00 0.00 179.45 180.64 2jbr h GLU 287 N 1.15 0.37 -0.04 3.15 5.08 -0.93 -2.98 114.58 120.37 2jbr h GLU 287 Ca 0.34 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 2jbr h GLU 287 Cb -0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2jbr h GLU 287 CO -0.09 0.39 -0.44 0.87 -1.00 0.00 0.00 179.01 178.74 2jbr h LYS 288 N 0.26 0.08 -0.22 2.33 6.56 -1.19 -3.29 116.57 121.11 2jbr h LYS 288 Ca 0.09 -0.04 -0.17 0.00 -1.06 0.00 0.00 60.65 59.47 2jbr h LYS 288 Cb 0.15 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2jbr h LYS 288 CO -0.01 0.51 -0.54 0.37 -2.06 0.00 0.00 179.45 177.72 2jbr h GLN 289 N 0.07 0.65 -0.86 3.15 5.75 -0.97 -3.31 115.11 119.59 2jbr h GLN 289 Ca 0.00 -0.41 0.20 0.00 -0.15 0.00 0.00 58.65 58.30 2jbr h GLN 289 Cb 0.81 0.05 -0.16 0.00 1.07 0.00 0.00 27.48 29.25 2jbr h GLN 289 CO 0.06 1.03 -0.04 0.00 -2.65 0.00 0.00 178.83 177.23 2jbr h ARG 290 N 0.50 0.05 -0.57 1.69 3.08 -1.59 -1.85 114.38 115.69 2jbr h ARG 290 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jbr h ARG 290 Cb 1.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2jbr h ARG 290 CO 0.11 0.03 0.00 0.27 -1.07 0.00 0.00 179.97 179.31 2jbr n ASN 291 N -5.44 3.55 -4.60 7.04 0.23 -1.25 -4.50 115.26 110.29 2jbr n ASN 291 Ca 0.16 -1.99 -0.46 0.00 -0.53 0.00 0.00 54.58 51.76 2jbr n ASN 291 Cb 0.55 -0.38 -0.04 0.00 -2.08 0.00 0.00 39.78 37.83 2jbr n ASN 291 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jbr n ARG 292 N 1.23 1.98 -4.39 -3.83 3.00 -0.69 -4.90 116.66 109.05 2jbr n ARG 292 Ca 0.19 0.64 -0.33 0.00 -0.00 0.00 0.00 57.85 58.36 2jbr n ARG 292 Cb 0.55 -2.88 -0.10 0.00 0.00 0.00 0.00 32.46 30.03 2jbr n ARG 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jbr s VAL 293 N 6.34 3.95 0.04 5.15 -7.23 -1.26 -0.70 120.40 126.68 2jbr s VAL 293 Ca 0.99 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 60.25 2jbr s VAL 293 Cb -0.56 -2.72 -0.07 0.00 0.56 0.00 0.00 36.38 33.60 2jbr s VAL 293 CO 0.44 0.44 1.48 -0.13 -0.31 0.00 0.00 175.10 177.01 2jbr s ARG 294 N -1.34 4.26 0.35 4.82 1.81 -0.79 -4.91 118.95 123.15 2jbr s ARG 294 Ca 0.17 2.10 0.09 0.00 -1.72 0.00 0.00 55.73 56.37 2jbr s ARG 294 Cb -0.11 -3.53 0.65 0.00 -0.45 0.00 0.00 34.95 31.50 2jbr s ARG 294 CO 0.07 -0.61 1.82 0.00 -0.68 0.00 0.00 175.30 175.90 2jbr h ALA 295 N 7.83 1.33 0.07 2.13 0.00 -1.96 -0.91 119.26 127.76 2jbr h ALA 295 Ca -0.40 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 53.92 2jbr h ALA 295 Cb 1.19 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jbr h ALA 295 CO 0.91 0.46 -1.15 1.88 0.00 0.00 0.00 179.25 181.34 2jbr h TYR 296 N 0.17 0.94 0.00 0.00 0.05 -2.00 -3.41 116.97 112.72 2jbr h TYR 296 Ca 0.03 -0.56 -0.04 0.00 0.05 0.00 0.00 58.73 58.20 2jbr h TYR 296 Cb 0.60 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2jbr h TYR 296 CO 0.01 1.40 -1.15 0.25 -1.05 0.00 0.00 178.16 177.62 2jbr n THR 297 N -3.78 0.15 0.00 -2.88 -2.24 -1.23 -5.05 114.28 99.24 2jbr n THR 297 Ca -0.12 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2jbr n THR 297 Cb 0.94 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 3.13 0.52 3.78 3.38 0.00 -0.35 -5.03 105.19 110.62 2jbr n GLY 298 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.15 -0.46 4.61 0.00 -1.26 -4.67 121.76 121.13 2jbr s ALA 299 Ca 0.00 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.46 2jbr s ALA 299 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.83 2jbr s ALA 299 CO 0.00 -0.27 1.43 1.21 0.00 0.00 0.00 175.76 178.13 2jbr s ASN 300 N -1.38 6.24 0.00 0.00 3.84 -1.26 -1.88 114.94 120.51 2jbr s ASN 300 Ca 0.56 0.66 0.06 0.00 0.21 0.00 0.00 52.86 54.34 2jbr s ASN 300 Cb -0.25 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 37.93 2jbr s ASN 300 CO 0.32 -1.54 0.59 0.52 -2.79 0.00 0.00 177.10 174.20 2jbr n VAL 301 N 7.03 0.00 -0.20 -5.21 0.31 0.12 -4.67 118.33 115.71 2jbr n VAL 301 Ca 0.15 -0.47 0.13 0.00 -0.01 0.00 0.00 64.34 64.15 2jbr n VAL 301 Cb 0.48 1.10 0.45 0.00 -0.91 0.00 0.00 33.84 34.96 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 1.25 0.90 -3.35 2.92 0.00 -1.56 -1.98 103.07 101.24 2jbr h GLY 302 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 47.33 46.82 2jbr h GLY 302 CO 0.00 0.09 0.30 1.04 0.00 0.00 0.00 176.54 177.97 2jbr n LEU 303 N -4.51 5.81 -4.77 3.11 4.77 -1.26 -4.67 117.00 115.48 2jbr n LEU 303 Ca 0.15 -3.40 -0.35 0.00 -0.03 0.00 0.00 56.01 52.39 2jbr n LEU 303 Cb 0.48 -0.74 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 2jbr n LEU 303 CO 0.32 0.93 0.78 0.00 -1.33 0.00 0.00 177.39 178.09 2jbr s ALA 304 N -3.10 2.66 0.14 -1.18 0.00 -0.75 -4.87 121.76 114.66 2jbr s ALA 304 Ca 0.53 0.78 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 2jbr s ALA 304 Cb 0.44 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 20.22 2jbr s ALA 304 CO 0.10 -0.85 1.69 1.15 0.00 0.00 0.00 175.76 177.86 2jbr h THR 305 N 1.02 0.73 -0.94 0.00 2.02 -1.94 -2.41 112.91 111.38 2jbr h THR 305 Ca -0.50 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.79 2jbr h THR 305 Cb 1.26 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 2jbr h THR 305 CO 0.56 0.00 0.58 -0.65 0.37 0.00 0.00 175.52 176.38 2jbr h PRO 306 N 0.00 0.92 -0.37 6.66 0.11 -1.98 -1.58 132.00 135.77 2jbr h PRO 306 Ca 0.13 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 2jbr h PRO 306 Cb 0.20 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 2jbr h PRO 306 CO -0.28 0.61 -0.27 0.00 -0.21 0.00 0.00 178.00 177.85 2jbr h ALA 307 N 1.50 0.84 -0.50 -0.75 0.00 -1.84 -2.16 119.26 116.35 2jbr h ALA 307 Ca 0.46 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2jbr h ALA 307 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2jbr h ALA 307 CO -0.25 0.64 0.01 -0.07 0.00 0.00 0.00 179.25 179.58 2jbr h LEU 308 N 0.66 0.79 -0.32 0.00 3.38 -0.93 -1.72 115.31 117.17 2jbr h LEU 308 Ca 0.08 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 2jbr h LEU 308 Cb 0.79 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2jbr h LEU 308 CO 0.06 0.85 -0.76 0.24 0.09 0.00 0.00 178.44 178.92 2jbr h MET 309 N 0.77 0.50 -0.46 1.13 2.86 -1.18 -1.69 114.93 116.86 2jbr h MET 309 Ca 0.15 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 2jbr h MET 309 Cb 0.45 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2jbr h MET 309 CO 0.02 1.06 0.14 0.00 1.06 0.00 0.00 176.91 179.18 2jbr h ARG 310 N 0.34 0.73 -0.26 1.72 3.08 -1.30 0.29 114.38 118.98 2jbr h ARG 310 Ca -0.04 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.87 2jbr h ARG 310 Cb 1.36 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 2jbr h ARG 310 CO 0.14 0.70 0.10 0.82 -1.07 0.00 0.00 179.97 180.66 2jbr h ILE 311 N 0.61 0.94 -0.26 2.04 2.04 -1.26 -0.77 117.51 120.86 2jbr h ILE 311 Ca 0.15 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2jbr h ILE 311 Cb 0.28 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2jbr h ILE 311 CO -0.00 0.04 0.12 0.00 0.00 0.00 0.00 178.15 178.31 2jbr h ALA 312 N 1.16 0.34 -0.51 1.87 0.00 -1.19 -0.99 119.26 119.94 2jbr h ALA 312 Ca 0.11 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2jbr h ALA 312 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2jbr h ALA 312 CO -0.11 -0.09 -0.10 1.49 0.00 0.00 0.00 179.25 180.43 2jbr h GLU 313 N 0.28 0.96 -0.27 0.00 4.81 -0.80 0.71 114.58 120.28 2jbr h GLU 313 Ca 0.09 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 2jbr h GLU 313 Cb 0.13 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2jbr h GLU 313 CO -0.01 1.03 -0.17 0.77 -0.73 0.00 0.00 179.01 179.90 2jbr h SER 314 N 0.83 0.46 -0.16 1.04 0.02 -1.16 0.11 113.55 114.69 2jbr h SER 314 Ca 0.13 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2jbr h SER 314 Cb 0.66 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2jbr h SER 314 CO 0.05 0.65 0.06 0.74 -1.14 0.00 0.00 176.83 177.19 2jbr h THR 315 N 0.43 1.15 -0.29 -2.27 2.02 -0.68 -1.70 112.91 111.56 2jbr h THR 315 Ca 0.07 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2jbr h THR 315 Cb 0.54 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2jbr h THR 315 CO 0.04 0.15 0.19 0.45 0.37 0.00 0.00 175.52 176.71 2jbr h HIS 316 N 0.11 0.38 -0.37 3.16 -0.00 -0.64 -1.23 115.15 116.55 2jbr h HIS 316 Ca 0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2jbr h HIS 316 Cb 0.17 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 2jbr h HIS 316 CO -0.01 0.25 0.22 0.37 -0.00 0.00 0.00 177.93 178.75 2jbr h GLN 317 N 0.39 0.51 0.00 2.45 4.15 -0.73 -0.57 115.11 121.31 2jbr h GLN 317 Ca 0.11 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 2jbr h GLN 317 Cb -0.03 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 2jbr h GLN 317 CO -0.02 0.40 -0.45 -0.39 -1.93 0.00 0.00 178.83 176.43 2jbr h VAL 318 N 0.48 0.94 -0.71 2.39 -1.51 -1.30 -1.52 116.25 115.02 2jbr h VAL 318 Ca 0.13 -1.84 -0.05 0.00 -1.23 0.00 0.00 66.70 63.71 2jbr h VAL 318 Cb 0.03 2.13 -0.03 0.00 -2.13 0.00 0.00 31.29 31.28 2jbr h VAL 318 CO -0.02 0.45 0.24 0.00 -1.23 0.00 0.00 177.57 177.01 2jbr h ALA 319 N 1.55 1.09 -0.25 5.19 0.00 -0.98 0.24 119.26 126.10 2jbr h ALA 319 Ca -0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2jbr h ALA 319 Cb 1.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jbr h ALA 319 CO 0.06 0.63 -0.49 0.00 0.00 0.00 0.00 179.25 179.44 2jbr h ALA 320 N 1.22 0.67 -0.32 0.00 0.00 -0.94 -0.13 119.26 119.75 2jbr h ALA 320 Ca 0.23 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2jbr h ALA 320 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jbr h ALA 320 CO -0.01 0.68 0.07 0.00 0.00 0.00 0.00 179.25 179.98 2jbr h ALA 321 N 0.92 0.42 -0.36 0.00 0.00 -1.05 -1.01 119.26 118.18 2jbr h ALA 321 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jbr h ALA 321 Cb 1.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2jbr h ALA 321 CO 0.10 0.10 0.20 -0.09 0.00 0.00 0.00 179.25 179.56 2jbr h ARG 322 N 0.35 0.40 -0.52 0.00 2.43 -0.47 -0.71 114.38 115.87 2jbr h ARG 322 Ca 0.10 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2jbr h ARG 322 Cb 0.31 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 2jbr h ARG 322 CO 0.00 0.27 0.30 0.00 -1.51 0.00 0.00 179.97 179.03 2jbr h ALA 323 N 1.16 0.66 -0.60 2.80 0.00 -0.90 0.17 119.26 122.55 2jbr h ALA 323 Ca 0.14 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jbr h ALA 323 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jbr h ALA 323 CO -0.07 -0.00 0.22 1.25 0.00 0.00 0.00 179.25 180.65 2jbr h LEU 324 N 0.59 0.84 -0.40 0.00 5.85 -1.00 -1.87 115.31 119.33 2jbr h LEU 324 Ca 0.21 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2jbr h LEU 324 Cb 0.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2jbr h LEU 324 CO -0.11 0.79 0.04 -0.07 -0.34 0.00 0.00 178.44 178.76 2jbr h LEU 325 N 0.84 0.65 -0.64 2.25 3.38 -0.74 -1.53 115.31 119.52 2jbr h LEU 325 Ca 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jbr h LEU 325 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jbr h LEU 325 CO -0.01 0.76 0.40 -0.33 0.09 0.00 0.00 178.44 179.35 2jbr h GLU 326 N 0.51 0.86 -0.60 1.13 5.08 -0.60 0.18 114.58 121.15 2jbr h GLU 326 Ca 0.12 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2jbr h GLU 326 Cb 0.40 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2jbr h GLU 326 CO 0.01 0.59 0.24 -0.22 -1.00 0.00 0.00 179.01 178.64 2jbr h LYS 327 N 0.87 0.89 -0.42 2.33 3.64 -1.30 -1.39 116.57 121.19 2jbr h LYS 327 Ca 0.23 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2jbr h LYS 327 Cb -0.06 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2jbr h LYS 327 CO -0.05 0.76 0.05 1.15 -2.27 0.00 0.00 179.45 179.10 2jbr h THR 328 N 0.83 1.25 -0.78 1.00 2.02 -0.88 -1.73 112.91 114.62 2jbr h THR 328 Ca 0.20 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 2jbr h THR 328 Cb 0.20 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2jbr h THR 328 CO -0.02 0.32 0.41 -0.50 0.37 0.00 0.00 175.52 176.10 2jbr h TRP 329 N 0.55 1.08 -0.60 3.16 6.55 -0.55 -1.88 115.95 124.25 2jbr h TRP 329 Ca 0.12 -0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.91 2jbr h TRP 329 Cb 0.40 -0.34 -0.03 0.00 -0.86 0.00 0.00 29.16 28.33 2jbr h TRP 329 CO 0.03 0.76 0.26 1.49 -1.05 0.00 0.00 178.44 179.93 2jbr h GLU 330 N 1.09 0.89 -0.75 0.49 4.57 -1.15 -0.28 114.58 119.44 2jbr h GLU 330 Ca 0.27 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 2jbr h GLU 330 Cb 0.05 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 2jbr h GLU 330 CO -0.04 0.74 0.48 0.22 -1.18 0.00 0.00 179.01 179.23 2jbr h ASP 331 N 0.83 0.80 -0.34 1.04 3.58 -0.97 -0.16 116.42 121.20 2jbr h ASP 331 Ca 0.20 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 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 0.21 0.45 -2.88 0.00 0.00 179.24 177.55 2jbr h HIS 332 N 0.94 0.45 -0.11 0.28 3.86 -1.06 -2.13 115.15 117.38 2jbr h HIS 332 Ca 0.30 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.52 2jbr h HIS 332 Cb -0.00 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 2jbr h HIS 332 CO -0.03 0.32 0.03 -0.09 0.86 0.00 0.00 177.93 179.02 2jbr h ARG 333 N 0.45 0.08 -0.43 2.45 2.43 -0.55 -1.61 114.38 117.20 2jbr h ARG 333 Ca 0.12 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2jbr h ARG 333 Cb 0.00 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2jbr h ARG 333 CO -0.02 0.06 0.22 0.82 -1.51 0.00 0.00 179.97 179.53 2jbr h ILE 334 N 0.09 0.97 -0.60 1.20 2.04 -1.04 -0.95 117.51 119.22 2jbr h ILE 334 Ca 0.05 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2jbr h ILE 334 Cb 0.03 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2jbr h ILE 334 CO -0.05 0.08 0.31 0.45 0.00 0.00 0.00 178.15 178.94 2jbr h HIS 335 N 0.43 0.84 -0.56 1.37 3.86 -1.19 -2.43 115.15 117.46 2jbr h HIS 335 Ca 0.18 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 2jbr h HIS 335 Cb 0.09 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 2jbr h HIS 335 CO -0.10 0.62 -0.02 0.78 0.86 0.00 0.00 177.93 180.07 2jbr h GLY 336 N 0.81 1.07 0.71 2.45 0.00 -1.16 0.22 103.07 107.18 2jbr h GLY 336 Ca 0.21 -0.78 0.05 0.00 0.00 0.00 0.00 47.33 46.82 2jbr h GLY 336 CO -0.03 0.71 0.40 1.41 0.00 0.00 0.00 176.54 179.03 2jbr h LEU 337 N 0.90 0.60 -0.60 3.11 3.38 -0.98 -2.60 115.31 119.13 2jbr h LEU 337 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jbr h LEU 337 Cb 0.55 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jbr h LEU 337 CO 0.03 0.39 -0.04 0.59 0.09 0.00 0.00 178.44 179.50 2jbr n ASN 338 N -4.75 0.97 -2.69 -0.43 3.02 -0.93 -4.91 115.26 105.53 2jbr n ASN 338 Ca 0.09 -1.20 -0.22 0.00 -0.03 0.00 0.00 54.58 53.22 2jbr n ASN 338 Cb 0.16 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.33 -1.45 -3.62 3.10 8.25 -0.76 -4.96 115.22 115.46 2jbr n HIS 339 Ca 0.19 0.24 -0.39 0.00 -0.26 0.00 0.00 57.72 57.51 2jbr n HIS 339 Cb 0.29 -4.23 -0.11 0.00 1.12 0.00 0.00 29.99 27.05 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 -5.35 3.60 0.08 -0.41 0.74 0.72 -4.94 119.66 114.10 2jbr s GLN 340 Ca 0.14 -0.55 -0.30 0.00 0.05 0.00 0.00 55.36 54.70 2jbr s GLN 340 Cb -0.06 -3.62 -0.05 0.00 1.10 0.00 0.00 33.01 30.37 2jbr s GLN 340 CO 0.17 -0.32 1.07 0.71 -0.55 0.00 0.00 175.29 176.37 2jbr s TYR 341 N 1.69 3.61 0.56 1.67 1.51 -1.26 -4.52 117.35 120.61 2jbr s TYR 341 Ca 0.06 1.58 -0.20 0.00 -1.01 0.00 0.00 57.07 57.50 2jbr s TYR 341 Cb -0.17 -3.23 -0.05 0.00 -0.11 0.00 0.00 41.96 38.41 2jbr s TYR 341 CO 0.08 -0.47 1.20 -1.25 -1.11 0.00 0.00 175.55 174.00 2jbr s PRO 342 N 0.54 3.17 1.09 -1.71 0.04 -1.26 -5.04 135.00 131.83 2jbr s PRO 342 Ca 0.52 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 2jbr s PRO 342 Cb -0.26 -2.03 0.25 0.00 0.04 0.00 0.00 34.50 32.50 2jbr s PRO 342 CO 0.30 -1.04 1.21 0.54 0.04 0.00 0.00 177.00 178.05 2jbr s ASN 343 N -1.55 1.96 0.20 6.66 6.03 -1.26 -4.79 114.94 122.18 2jbr s ASN 343 Ca 0.74 0.45 -0.11 0.00 -1.03 0.00 0.00 52.86 52.90 2jbr s ASN 343 Cb -0.29 -0.59 0.14 0.00 -3.03 0.00 0.00 41.25 37.48 2jbr s ASN 343 CO 0.33 -3.46 1.85 0.11 -2.03 0.00 0.00 177.10 173.90 2jbr h LYS 344 N -2.14 0.83 0.03 3.55 1.79 -1.99 -1.84 116.57 116.81 2jbr h LYS 344 Ca -0.44 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2jbr h LYS 344 Cb 1.26 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2jbr h LYS 344 CO 0.36 0.55 -0.01 1.49 -1.08 0.00 0.00 179.45 180.76 2jbr h GLU 345 N 0.86 -0.03 -0.29 3.15 4.81 -1.95 -1.91 114.58 119.21 2jbr h GLU 345 Ca 0.25 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 2jbr h GLU 345 Cb -0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2jbr h GLU 345 CO -0.07 0.11 -0.22 0.00 -0.73 0.00 0.00 179.01 178.10 2jbr h THR 346 N -0.18 1.26 -0.54 0.32 1.03 -1.91 -2.41 112.91 110.49 2jbr h THR 346 Ca -0.00 -1.24 0.03 0.00 -0.01 0.00 0.00 66.41 65.19 2jbr h THR 346 Cb 0.16 1.29 -0.04 0.00 -1.07 0.00 0.00 68.15 68.49 2jbr h THR 346 CO 0.01 0.40 0.32 0.25 -0.01 0.00 0.00 175.52 176.48 2jbr h LEU 347 N 0.48 0.50 -1.09 0.00 5.85 -1.29 0.12 115.31 119.88 2jbr h LEU 347 Ca 0.07 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2jbr h LEU 347 Cb 0.65 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2jbr h LEU 347 CO 0.05 0.35 0.37 0.00 -0.34 0.00 0.00 178.44 178.87 2jbr h ALA 348 N 1.25 1.30 -0.26 1.25 0.00 -1.05 -0.07 119.26 121.68 2jbr h ALA 348 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2jbr h ALA 348 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2jbr h ALA 348 CO -0.11 0.56 -0.12 0.74 0.00 0.00 0.00 179.25 180.31 2jbr h PHE 349 N 1.01 0.62 -0.65 0.00 -1.00 -0.94 -2.32 116.94 113.66 2jbr h PHE 349 Ca 0.25 -0.15 0.07 0.00 2.81 0.00 0.00 57.97 60.94 2jbr h PHE 349 Cb 0.06 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.42 2jbr h PHE 349 CO 0.01 0.79 0.34 -1.49 -1.61 0.00 0.00 178.31 176.36 2jbr h TRP 350 N 0.27 0.63 -0.83 -0.55 4.06 -0.53 0.24 115.95 119.24 2jbr h TRP 350 Ca 0.06 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.99 2jbr h TRP 350 Cb 0.63 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.57 2jbr h TRP 350 CO 0.06 0.28 0.37 -0.09 -3.56 0.00 0.00 178.44 175.50 2jbr h ARG 351 N 0.63 1.22 0.00 0.49 9.65 -1.00 -3.38 114.38 121.98 2jbr h ARG 351 Ca 0.30 -0.20 -0.22 0.00 -1.10 0.00 0.00 59.98 58.76 2jbr h ARG 351 Cb 0.23 -0.21 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 2jbr h ARG 351 CO -0.20 0.96 -1.83 0.25 2.80 0.00 0.00 179.97 181.94 2jbr n THR 352 N -4.29 0.81 -0.33 0.20 -2.24 -0.87 -4.55 114.28 103.01 2jbr n THR 352 Ca 0.08 -0.51 0.06 0.00 -2.27 0.00 0.00 64.05 61.40 2jbr n THR 352 Cb 0.16 -0.65 0.21 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.81 -0.29 3.42 -0.26 -0.72 -1.13 115.58 117.41 2jbr h ASN 353 Ca -0.32 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.44 2jbr h ASN 353 Cb 1.72 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 38.85 2jbr h ASN 353 CO 0.02 0.44 0.11 0.06 -1.06 0.00 0.00 177.43 177.00 2jbr h GLN 354 N 0.90 0.50 -0.18 0.81 -0.00 -1.79 -0.86 115.11 114.49 2jbr h GLN 354 Ca 0.46 -0.07 -0.17 0.00 -0.00 0.00 0.00 58.65 58.87 2jbr h GLN 354 Cb 0.45 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 27.84 2jbr h GLN 354 CO -0.27 0.44 -0.60 0.00 -0.00 0.00 0.00 178.83 178.40 2jbr h ALA 355 N 1.63 0.61 -0.41 0.06 0.00 -1.46 -0.90 119.26 118.78 2jbr h ALA 355 Ca 0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2jbr h ALA 355 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jbr h ALA 355 CO -0.01 0.70 0.12 -0.92 0.00 0.00 0.00 179.25 179.14 2jbr h TYR 356 N 0.45 0.68 -0.76 0.00 3.20 -0.97 -1.83 116.97 117.73 2jbr h TYR 356 Ca -0.00 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.86 2jbr h TYR 356 Cb 1.17 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 2jbr h TYR 356 CO 0.05 0.63 0.44 0.00 -1.64 0.00 0.00 178.16 177.65 2jbr h ALA 357 N 0.97 1.04 -0.55 1.82 0.00 -1.05 -1.05 119.26 120.44 2jbr h ALA 357 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jbr h ALA 357 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2jbr h ALA 357 CO -0.00 0.14 0.33 0.28 0.00 0.00 0.00 179.25 180.00 2jbr h VAL 358 N 0.81 1.17 -0.91 0.00 2.07 -1.02 -1.04 116.25 117.32 2jbr h VAL 358 Ca 0.34 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2jbr h VAL 358 Cb 0.20 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2jbr h VAL 358 CO -0.19 0.17 0.60 0.50 0.02 0.00 0.00 177.57 178.67 2jbr h LYS 359 N 0.74 1.18 -0.52 1.57 3.64 -0.84 -1.13 116.57 121.21 2jbr h LYS 359 Ca 0.20 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2jbr h LYS 359 Cb -0.02 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 2jbr h LYS 359 CO -0.04 0.78 -0.00 0.52 -2.27 0.00 0.00 179.45 178.44 2jbr h MET 360 N 1.22 0.92 -0.63 1.90 2.86 -0.91 -2.42 114.93 117.87 2jbr h MET 360 Ca 0.34 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2jbr h MET 360 Cb -0.12 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 2jbr h MET 360 CO -0.08 0.94 0.07 0.00 1.06 0.00 0.00 176.91 178.90 2jbr h ILE 362 N 0.98 1.27 -0.70 0.00 2.04 -1.20 -1.27 117.51 118.63 2jbr h ILE 362 Ca 0.19 -1.32 0.06 0.00 1.00 0.00 0.00 64.86 64.79 2jbr h ILE 362 Cb 0.47 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2jbr h ILE 362 CO 0.02 0.45 0.40 -0.33 0.00 0.00 0.00 178.15 178.69 2jbr h GLU 363 N 0.79 0.71 -0.46 2.37 5.08 -1.24 0.69 114.58 122.52 2jbr h GLU 363 Ca 0.11 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2jbr h GLU 363 Cb 0.74 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2jbr h GLU 363 CO 0.06 0.47 -0.08 0.00 -1.00 0.00 0.00 179.01 178.46 2jbr h ALA 364 N 1.36 0.63 -0.55 3.43 0.00 -1.06 -0.46 119.26 122.60 2jbr h ALA 364 Ca 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jbr h ALA 364 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jbr h ALA 364 CO -0.18 0.50 0.25 0.28 0.00 0.00 0.00 179.25 180.10 2jbr h VAL 365 N 0.71 1.21 -0.40 0.00 2.07 -1.10 -3.15 116.25 115.60 2jbr h VAL 365 Ca 0.12 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2jbr h VAL 365 Cb 0.61 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2jbr h VAL 365 CO 0.04 0.24 -0.19 0.44 0.02 0.00 0.00 177.57 178.12 2jbr h ASP 366 N 0.75 0.77 -0.53 0.57 3.32 -0.65 -0.51 116.42 120.13 2jbr h ASP 366 Ca 0.19 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2jbr h ASP 366 Cb 0.15 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2jbr h ASP 366 CO -0.02 0.95 0.35 -0.09 -1.72 0.00 0.00 179.24 178.71 2jbr h ARG 367 N 0.67 0.62 0.16 3.56 2.43 -1.08 -1.11 114.38 119.64 2jbr h ARG 367 Ca 0.10 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.93 2jbr h ARG 367 Cb 0.69 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2jbr h ARG 367 CO 0.05 0.41 -1.46 -0.07 -1.51 0.00 0.00 179.97 177.39 2jbr h LEU 368 N 0.64 0.54 -1.48 3.80 3.38 -1.44 -3.33 115.31 117.42 2jbr h LEU 368 Ca 0.21 -0.91 0.05 0.00 0.09 0.00 0.00 57.88 57.32 2jbr h LEU 368 Cb 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2jbr h LEU 368 CO -0.05 1.66 0.40 -0.03 0.09 0.00 0.00 178.44 180.51 2jbr h MET 369 N -0.11 0.64 0.00 1.13 4.05 -0.97 -1.87 114.93 117.81 2jbr h MET 369 Ca -0.29 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.08 2jbr h MET 369 Cb 1.92 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 32.58 2jbr h MET 369 CO 0.14 0.42 -0.05 0.00 0.23 0.00 0.00 176.91 177.65 2jbr h ALA 370 N 1.66 1.12 -0.32 0.39 0.00 -1.31 -2.42 119.26 118.38 2jbr h ALA 370 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jbr h ALA 370 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jbr h ALA 370 CO -0.07 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.24 2jbr n ALA 371 N -2.16 2.25 0.60 0.00 0.00 -0.74 -4.68 120.51 115.77 2jbr n ALA 371 Ca -0.01 -1.06 0.12 0.00 0.00 0.00 0.00 53.44 52.49 2jbr n ALA 371 Cb 0.21 -0.47 0.21 0.00 0.00 0.00 0.00 19.45 19.40 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 0.63 2.87 0.00 0.00 0.00 -0.91 -5.06 120.51 118.04 2jbr n ALA 372 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2jbr n ALA 372 Cb 0.42 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.34 -1.55 0.22 0.00 0.00 -1.26 -4.34 105.19 99.60 2jbr n GLY 373 Ca 0.04 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.54 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 1.57 0.00 4.61 0.00 -1.97 -2.70 119.26 120.77 2jbr h ALA 374 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jbr h ALA 374 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jbr h ALA 374 CO 0.00 0.32 -0.03 1.79 0.00 0.00 0.00 179.25 181.33 2jbr h THR 375 N 0.09 0.18 0.00 0.00 1.35 -1.99 -2.47 112.91 110.07 2jbr h THR 375 Ca 0.02 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2jbr h THR 375 Cb 0.40 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2jbr h THR 375 CO 0.03 0.03 0.00 -1.20 -0.25 0.00 0.00 175.52 174.12 2jbr n SER 376 N -3.29 0.52 -1.05 5.36 7.64 -1.02 -2.63 113.62 119.15 2jbr n SER 376 Ca -0.02 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.55 2jbr n SER 376 Cb 0.16 -0.70 0.22 0.00 -1.01 0.00 0.00 64.21 62.88 2jbr n SER 376 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jbr n PHE 377 N -2.01 0.38 -2.77 1.43 3.72 -0.93 -2.57 117.46 114.72 2jbr n PHE 377 Ca 0.05 -0.19 -0.34 0.00 -0.05 0.00 0.00 57.45 56.92 2jbr n PHE 377 Cb 0.33 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.81 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 -1.62 4.24 0.55 -1.08 -1.94 -1.08 -4.96 119.30 113.41 2jbr s MET 378 Ca 0.36 1.20 0.25 0.00 -1.71 0.00 0.00 55.69 55.80 2jbr s MET 378 Cb 0.22 -2.29 1.46 0.00 2.01 0.00 0.00 34.83 36.23 2jbr s MET 378 CO 0.31 -0.03 2.06 -0.44 -0.01 0.00 0.00 175.02 176.91 2jbr h ASP 379 N 2.11 0.00 -0.03 3.03 5.19 -1.92 -1.61 116.42 123.20 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 40.70 2jbr h ASP 379 CO 0.62 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.28 2jbr n ASN 380 N -4.19 0.47 -4.73 6.45 6.94 -1.26 -4.78 115.26 114.16 2jbr n ASN 380 Ca 0.04 -1.34 -0.35 0.00 -0.02 0.00 0.00 54.58 52.91 2jbr n ASN 380 Cb 0.40 -0.02 -0.08 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.77 5.76 0.27 0.53 0.15 -0.61 -5.00 113.70 113.03 2jbr s SER 381 Ca 0.36 0.22 0.08 0.00 0.70 0.00 0.00 55.95 57.31 2jbr s SER 381 Cb 0.18 -1.86 0.35 0.00 -1.71 0.00 0.00 66.02 62.98 2jbr s SER 381 CO 0.29 0.30 1.61 -0.08 1.20 0.00 0.00 173.24 176.57 2jbr h GLU 382 N 5.73 0.11 -0.59 5.44 4.81 -1.86 -3.31 114.58 124.91 2jbr h GLU 382 Ca -0.46 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 58.76 2jbr h GLU 382 Cb 1.19 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 2jbr h GLU 382 CO 0.62 0.66 0.26 -0.07 -0.73 0.00 0.00 179.01 179.76 2jbr h LEU 383 N 0.09 0.33 -0.90 1.64 3.38 -1.94 -1.01 115.31 116.89 2jbr h LEU 383 Ca -0.00 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2jbr h LEU 383 Cb 1.05 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 2jbr h LEU 383 CO 0.08 0.21 0.53 -0.61 0.09 0.00 0.00 178.44 178.74 2jbr h GLN 384 N 0.49 0.83 -0.37 1.13 -0.00 -1.58 0.18 115.11 115.79 2jbr h GLN 384 Ca 0.28 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.78 2jbr h GLN 384 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 2jbr h GLN 384 CO -0.24 0.55 -0.17 -0.09 0.00 0.00 0.00 178.83 178.88 2jbr h ARG 385 N 0.86 0.76 -0.50 1.69 2.43 -1.37 -2.11 114.38 116.13 2jbr h ARG 385 Ca 0.44 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2jbr h ARG 385 Cb 0.44 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2jbr h ARG 385 CO -0.27 0.95 0.07 -0.07 -1.51 0.00 0.00 179.97 179.14 2jbr h LEU 386 N 0.55 0.81 0.03 3.80 3.38 -0.74 -1.25 115.31 121.89 2jbr h LEU 386 Ca 0.08 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2jbr h LEU 386 Cb 0.71 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jbr h LEU 386 CO 0.05 0.87 -0.07 0.15 0.09 0.00 0.00 178.44 179.53 2jbr h PHE 387 N 0.71 -0.19 -0.30 1.13 3.57 -0.64 -0.49 116.94 120.74 2jbr h PHE 387 Ca 0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2jbr h PHE 387 Cb 0.42 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2jbr h PHE 387 CO 0.03 -0.12 0.11 0.00 -2.23 0.00 0.00 178.31 176.10 2jbr h ARG 388 N -0.14 0.45 -0.69 1.11 3.08 -1.29 -2.74 114.38 114.16 2jbr h ARG 388 Ca 0.02 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2jbr h ARG 388 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2jbr h ARG 388 CO -0.06 0.48 0.14 -0.44 -1.07 0.00 0.00 179.97 179.02 2jbr h ASP 389 N 0.33 1.08 -0.21 7.04 3.32 -1.18 -2.33 116.42 124.46 2jbr h ASP 389 Ca 0.10 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 56.93 2jbr h ASP 389 Cb 0.21 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2jbr h ASP 389 CO -0.01 1.05 0.03 0.00 -1.72 0.00 0.00 179.24 178.59 2jbr h ALA 390 N 1.07 0.20 -0.68 3.45 0.00 -1.06 -2.51 119.26 119.73 2jbr h ALA 390 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2jbr h ALA 390 Cb 0.42 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jbr h ALA 390 CO 0.01 -0.40 0.32 0.45 0.00 0.00 0.00 179.25 179.62 2jbr h HIS 391 N 0.10 0.96 -0.37 0.00 3.86 -1.30 -2.25 115.15 116.15 2jbr h HIS 391 Ca 0.10 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2jbr h HIS 391 Cb 0.10 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2jbr h HIS 391 CO -0.16 0.71 0.24 1.98 0.86 0.00 0.00 177.93 181.57 2jbr h MET 392 N 0.96 0.44 0.00 2.45 -1.53 -1.20 -2.11 114.93 113.94 2jbr h MET 392 Ca 0.23 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.44 2jbr h MET 392 Cb 0.11 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.06 2jbr h MET 392 CO -0.03 0.29 -0.12 1.79 0.14 0.00 0.00 176.91 178.98 2jbr h THR 393 N 0.45 0.73 -0.03 -0.77 1.35 -0.96 -1.19 112.91 112.49 2jbr h THR 393 Ca 0.14 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2jbr h THR 393 Cb 0.01 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2jbr h THR 393 CO -0.03 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2jbr n GLY 394 N -0.89 -0.23 0.15 5.82 0.00 -0.80 -4.09 105.19 105.13 2jbr n GLY 394 Ca -0.02 -0.37 0.09 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 -0.11 4.16 -1.79 4.61 0.00 -0.45 -4.36 120.51 122.56 2jbr n ALA 395 Ca 0.20 -0.56 -0.34 0.00 0.00 0.00 0.00 53.44 52.73 2jbr n ALA 395 Cb 0.28 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.64 2.99 0.50 0.00 2.46 -1.24 -4.91 115.29 112.45 2jbr s HIS 396 Ca 0.10 1.58 0.16 0.00 0.47 0.00 0.00 55.06 57.38 2jbr s HIS 396 Cb 0.15 -3.08 1.21 0.00 -0.13 0.00 0.00 32.58 30.73 2jbr s HIS 396 CO 0.70 -0.86 2.09 0.00 -2.47 0.00 0.00 174.74 174.19 2jbr h ALA 397 N 1.60 2.07 0.00 1.58 0.00 -1.95 -1.49 119.26 121.07 2jbr h ALA 397 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2jbr h ALA 397 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jbr h ALA 397 CO 0.59 -0.12 -0.11 -0.92 0.00 0.00 0.00 179.25 178.69 2jbr h TYR 398 N 0.12 0.00 -0.09 0.00 3.20 -1.97 -3.30 116.97 114.94 2jbr h TYR 398 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2jbr h TYR 398 Cb 0.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2jbr h TYR 398 CO -0.00 0.11 0.00 0.25 -1.64 0.00 0.00 178.16 176.88 2jbr n THR 399 N -3.13 0.12 -1.62 1.81 -2.24 -0.61 -4.80 114.28 103.80 2jbr n THR 399 Ca 0.03 -0.56 -0.47 0.00 -2.27 0.00 0.00 64.05 60.79 2jbr n THR 399 Cb 0.57 1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 70.03 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 1.03 3.29 0.14 3.42 -0.08 -0.91 -4.80 116.55 118.65 2jbr n ASP 400 Ca 0.11 0.68 0.03 0.00 -1.51 0.00 0.00 54.79 54.11 2jbr n ASP 400 Cb 0.46 -1.42 0.03 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 11.39 0.00 -0.34 -0.67 3.20 -1.88 -2.41 116.97 126.26 2jbr h TYR 401 Ca -0.43 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 2jbr h TYR 401 Cb 1.27 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2jbr h TYR 401 CO 0.92 0.46 0.21 -0.44 -1.64 0.00 0.00 178.16 177.66 2jbr h ASP 402 N 0.00 0.40 -0.10 -2.11 3.32 -1.99 0.22 116.42 116.16 2jbr h ASP 402 Ca -0.01 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.00 2jbr h ASP 402 Cb 1.36 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2jbr h ASP 402 CO 0.06 0.34 0.05 0.58 -1.72 0.00 0.00 179.24 178.54 2jbr h VAL 403 N 0.44 1.00 -0.48 -1.35 2.07 -1.95 -2.77 116.25 113.21 2jbr h VAL 403 Ca 0.12 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 2jbr h VAL 403 Cb 0.00 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2jbr h VAL 403 CO -0.02 0.02 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 2jbr h ALA 405 N 1.24 1.13 -0.38 0.00 0.00 -0.56 -1.57 119.26 119.13 2jbr h ALA 405 Ca 0.14 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2jbr h ALA 405 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jbr h ALA 405 CO 0.02 0.62 -0.25 1.96 0.00 0.00 0.00 179.25 181.60 2jbr h GLN 406 N 1.04 0.84 0.33 0.00 4.20 -1.17 -0.65 115.11 119.71 2jbr h GLN 406 Ca 0.24 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2jbr h GLN 406 Cb 0.22 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2jbr h GLN 406 CO -0.02 1.03 -0.16 0.82 -0.67 0.00 0.00 178.83 179.84 2jbr h ILE 407 N 0.64 0.68 -0.16 2.54 2.04 -1.09 -1.30 117.51 120.86 2jbr h ILE 407 Ca 0.08 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2jbr h ILE 407 Cb 0.82 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2jbr h ILE 407 CO 0.07 0.00 0.02 0.25 0.00 0.00 0.00 178.15 178.49 2jbr h LEU 408 N -0.44 0.26 -0.46 1.44 5.85 -1.34 -2.53 115.31 118.09 2jbr h LEU 408 Ca -0.04 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.49 2jbr h LEU 408 Cb 0.34 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 2jbr h LEU 408 CO 0.07 0.47 -0.01 1.23 -0.34 0.00 0.00 178.44 179.87 2jbr h GLY 409 N 0.04 0.45 1.00 3.75 0.00 -1.09 0.70 103.07 107.92 2jbr h GLY 409 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2jbr h GLY 409 CO 0.00 -0.13 0.31 3.21 0.00 0.00 0.00 176.54 179.94 2jbr h ARG 410 N 0.10 0.64 -0.30 4.80 3.08 -1.21 -2.41 114.38 119.09 2jbr h ARG 410 Ca 0.23 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2jbr h ARG 410 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2jbr h ARG 410 CO -0.39 0.44 0.16 1.49 -1.07 0.00 0.00 179.97 180.60 2jbr h GLU 411 N 0.65 0.43 0.00 0.04 4.57 -0.97 0.27 114.58 119.57 2jbr h GLU 411 Ca 0.18 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2jbr h GLU 411 Cb -0.05 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2jbr h GLU 411 CO -0.04 0.38 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.06 2jbr h LEU 412 N 0.37 0.00 -2.26 1.64 3.38 -0.75 -1.94 115.31 115.75 2jbr h LEU 412 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jbr h LEU 412 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jbr h LEU 412 CO -0.02 0.04 0.00 0.23 0.09 0.00 0.00 178.44 178.79 2jbr n MET 413 N -4.01 2.46 -1.44 1.13 2.81 -0.92 -4.95 117.12 112.20 2jbr n MET 413 Ca -0.03 -2.22 -0.06 0.00 -1.81 0.00 0.00 57.70 53.58 2jbr n MET 413 Cb 0.13 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 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 1.50 0.65 3.90 3.03 0.00 -0.73 -5.03 105.19 108.50 2jbr n GLY 414 Ca 0.20 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.01 3.67 0.44 1.61 -1.94 0.05 -5.02 119.30 115.09 2jbr s MET 415 Ca 0.00 0.09 -0.24 0.00 -1.71 0.00 0.00 55.69 53.83 2jbr s MET 415 Cb 0.00 -2.61 -0.08 0.00 2.01 0.00 0.00 34.83 34.15 2jbr s MET 415 CO 0.00 0.19 1.26 -1.21 -0.01 0.00 0.00 175.02 175.25 2jbr s GLU 416 N -3.52 3.79 0.48 2.03 0.41 -1.26 -4.40 118.70 116.22 2jbr s GLU 416 Ca 0.45 2.03 -0.23 0.00 -0.41 0.00 0.00 54.97 56.82 2jbr s GLU 416 Cb -0.11 -2.58 -0.08 0.00 -1.78 0.00 0.00 34.13 29.58 2jbr s GLU 416 CO 0.29 -0.60 1.08 -2.30 -0.49 0.00 0.00 175.26 173.24 2jbr n PRO 417 N -0.22 1.37 -2.79 0.39 -0.02 -1.26 -4.95 135.00 127.51 2jbr n PRO 417 Ca 0.06 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2jbr n PRO 417 Cb 0.45 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2jbr n PRO 417 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jbr s ASP 418 N -0.85 6.80 0.43 2.55 -1.08 -1.26 -4.93 116.67 118.32 2jbr s ASP 418 Ca 0.67 0.85 0.30 0.00 -0.52 0.00 0.00 52.55 53.85 2jbr s ASP 418 Cb -0.49 -2.47 1.29 0.00 -1.46 0.00 0.00 42.92 39.79 2jbr s ASP 418 CO 0.54 -0.75 1.89 1.55 0.52 0.00 0.00 175.17 178.92 2jbr h PRO 419 N 8.10 0.00 0.00 4.34 0.13 -2.05 -2.91 132.00 139.61 2jbr h PRO 419 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2jbr h PRO 419 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jbr h PRO 419 CO 0.96 0.00 0.00 1.15 -0.23 0.00 0.00 178.00 179.88 2jbr h THR 420 N 0.00 0.00 -4.08 1.56 2.02 -2.03 -3.43 112.91 106.95 2jbr h THR 420 Ca 0.00 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 2jbr h THR 420 Cb 0.38 0.87 -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 -3.78 1.20 0.00 6.66 0.23 -1.10 -5.23 119.30 117.28 2jbr s MET 421 Ca -0.02 -1.33 0.00 0.00 -1.03 0.00 0.00 55.69 53.31 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 -0.43 0.00 1.55 -2.03 0.00 0.00 175.02 174.46