#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbr s VAL 26 N 0.00 2.49 -0.13 1.47 1.01 -1.26 -5.02 120.40 118.96 2jbr s VAL 26 Ca 0.00 -0.86 0.19 0.00 0.00 0.00 0.00 61.98 61.31 2jbr s VAL 26 Cb 0.00 -2.00 -0.20 0.00 0.00 0.00 0.00 36.38 34.18 2jbr s VAL 26 CO 0.00 0.54 0.60 -1.22 0.00 0.00 0.00 175.10 175.02 2jbr n TYR 27 N 3.59 0.50 0.85 5.22 4.01 -1.26 -4.56 117.16 125.50 2jbr n TYR 27 Ca -0.19 0.16 0.09 0.00 -0.16 0.00 0.00 57.90 57.80 2jbr n TYR 27 Cb 0.53 -0.88 -0.04 0.00 -0.31 0.00 0.00 39.34 38.63 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 -2.65 0.00 -3.83 -0.72 -2.24 -1.26 -4.46 114.28 99.12 2jbr n THR 28 Ca -0.12 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2jbr n THR 28 Cb 0.79 1.14 0.01 0.00 -2.10 0.00 0.00 70.33 70.17 2jbr n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jbr n HIS 29 N -0.59 -0.75 -2.72 4.78 1.44 -1.26 -4.94 115.22 111.18 2jbr n HIS 29 Ca 0.06 -0.69 -0.40 0.00 -2.01 0.00 0.00 57.72 54.68 2jbr n HIS 29 Cb 0.35 0.33 -0.06 0.00 0.12 0.00 0.00 29.99 30.74 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 -1.68 3.33 0.10 1.59 0.00 -1.26 -4.77 121.76 119.08 2jbr s ALA 30 Ca 0.17 0.64 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 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 1.28 -1.14 0.00 0.00 0.00 175.76 176.05 2jbr s GLN 31 N -1.00 4.39 0.11 0.00 0.74 -1.26 -5.01 119.66 117.62 2jbr s GLN 31 Ca 0.42 1.93 -0.31 0.00 0.05 0.00 0.00 55.36 57.45 2jbr s GLN 31 Cb -0.26 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.49 2jbr s GLN 31 CO 0.33 -0.31 1.26 0.95 -0.55 0.00 0.00 175.29 176.96 2jbr s THR 32 N 0.90 3.69 0.32 -0.34 -4.23 -1.26 -4.99 115.64 109.73 2jbr s THR 32 Ca 0.60 1.25 -0.29 0.00 -1.18 0.00 0.00 61.69 62.08 2jbr s THR 32 Cb -0.33 -3.80 -0.11 0.00 1.34 0.00 0.00 72.50 69.59 2jbr s THR 32 CO 0.31 0.12 1.52 -2.84 -0.54 0.00 0.00 174.62 173.19 2jbr s PRO 33 N 0.76 4.15 -0.66 3.99 0.02 -1.26 -4.96 135.00 137.04 2jbr s PRO 33 Ca 0.59 2.52 -0.19 0.00 0.02 0.00 0.00 61.00 63.94 2jbr s PRO 33 Cb -0.33 -3.02 0.11 0.00 0.02 0.00 0.00 34.50 31.29 2jbr s PRO 33 CO 0.31 -0.54 0.80 0.34 -0.33 0.00 0.00 177.00 177.59 2jbr s ASP 34 N 0.17 6.27 0.16 2.53 -1.08 -1.26 -4.81 116.67 118.66 2jbr s ASP 34 Ca 0.58 -1.53 0.07 0.00 -0.52 0.00 0.00 52.55 51.15 2jbr s ASP 34 Cb -0.46 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 38.63 2jbr s ASP 34 CO 0.53 -1.13 -0.14 0.68 0.52 0.00 0.00 175.17 175.64 2jbr s VAL 35 N 2.73 1.52 0.10 1.11 -7.23 -1.26 -5.13 120.40 112.24 2jbr s VAL 35 Ca 0.16 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 2jbr s VAL 35 Cb -0.20 -1.83 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 2jbr s VAL 35 CO 0.04 -0.53 0.91 -0.94 -0.31 0.00 0.00 175.10 174.26 2jbr s SER 36 N -2.94 7.43 0.00 4.85 1.04 -1.26 -4.73 113.70 118.08 2jbr s SER 36 Ca 0.16 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2jbr s SER 36 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2jbr s SER 36 CO 0.04 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2jbr n GLY 37 N 2.25 -1.83 3.58 7.32 0.00 -1.26 -4.95 105.19 110.30 2jbr n GLY 37 Ca 0.01 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 4.25 0.67 1.61 1.01 -1.26 -5.11 120.40 121.57 2jbr s VAL 38 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2jbr s VAL 38 Cb 0.00 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 2jbr s VAL 38 CO 0.00 0.51 1.05 -0.94 0.00 0.00 0.00 175.10 175.72 2jbr s SER 39 N 0.10 5.63 0.29 3.32 1.04 -1.26 -4.94 113.70 117.88 2jbr s SER 39 Ca 0.02 1.57 -0.00 0.00 0.48 0.00 0.00 55.95 58.02 2jbr s SER 39 Cb -0.13 -2.49 0.49 0.00 0.10 0.00 0.00 66.02 63.99 2jbr s SER 39 CO 0.02 -1.27 1.89 -0.03 0.98 0.00 0.00 173.24 174.83 2jbr h MET 40 N -0.55 1.04 -0.50 4.02 1.85 -1.97 -2.37 114.93 116.45 2jbr h MET 40 Ca -0.44 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 58.60 2jbr h MET 40 Cb 1.20 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 32.97 2jbr h MET 40 CO 0.58 0.69 0.33 1.25 -0.40 0.00 0.00 176.91 179.36 2jbr h LEU 41 N 1.08 0.56 -0.57 3.39 5.85 -1.93 0.26 115.31 123.94 2jbr h LEU 41 Ca 0.42 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 2jbr h LEU 41 Cb 0.23 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2jbr h LEU 41 CO -0.17 0.40 0.33 -0.33 -0.34 0.00 0.00 178.44 178.34 2jbr h GLU 42 N 0.67 0.79 -0.88 1.25 5.08 -1.86 -0.88 114.58 118.74 2jbr h GLU 42 Ca 0.19 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2jbr h GLU 42 Cb -0.06 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 2jbr h GLU 42 CO -0.05 0.58 0.57 0.87 -1.00 0.00 0.00 179.01 179.98 2jbr h LYS 43 N 0.77 1.17 -0.39 2.33 1.57 -0.98 -0.90 116.57 120.15 2jbr h LYS 43 Ca 0.20 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2jbr h LYS 43 Cb 0.01 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2jbr h LYS 43 CO -0.04 0.79 0.19 0.82 -0.57 0.00 0.00 179.45 180.65 2jbr h ILE 44 N 1.20 0.97 -0.41 1.86 1.08 -0.66 -2.83 117.51 118.73 2jbr h ILE 44 Ca 0.32 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.63 2jbr h ILE 44 Cb -0.11 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 2jbr h ILE 44 CO -0.07 0.07 0.16 1.56 -0.69 0.00 0.00 178.15 179.19 2jbr h GLN 45 N 0.40 0.58 -0.64 2.37 4.20 -0.50 -0.85 115.11 120.67 2jbr h GLN 45 Ca 0.17 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 2jbr h GLN 45 Cb 0.08 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2jbr h GLN 45 CO -0.12 0.48 0.07 1.96 -0.67 0.00 0.00 178.83 180.55 2jbr h GLN 46 N 0.58 1.07 -0.00 1.46 4.20 -1.00 -3.17 115.11 118.25 2jbr h GLN 46 Ca 0.14 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2jbr h GLN 46 Cb 0.12 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2jbr h GLN 46 CO -0.01 1.00 -0.42 0.44 -0.67 0.00 0.00 178.83 179.17 2jbr n ILE 47 N -4.20 0.00 -0.21 2.54 -5.35 -0.97 -4.48 119.36 106.68 2jbr n ILE 47 Ca 0.04 -0.06 -0.02 0.00 -0.27 0.00 0.00 62.75 62.44 2jbr n ILE 47 Cb 0.31 0.36 0.08 0.00 -1.74 0.00 0.00 39.64 38.65 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 0.54 0.51 -1.60 7.28 5.85 -1.13 -1.95 115.31 124.80 2jbr h LEU 48 Ca 0.00 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2jbr h LEU 48 Cb 0.51 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2jbr h LEU 48 CO 0.00 0.33 0.37 -0.65 -0.34 0.00 0.00 178.44 178.15 2jbr h PRO 49 N 0.64 0.47 -0.31 5.25 0.11 -1.78 0.98 132.00 137.35 2jbr h PRO 49 Ca 0.28 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 2jbr h PRO 49 Cb 0.16 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2jbr h PRO 49 CO -0.17 0.31 -0.04 1.96 -0.21 0.00 0.00 178.00 179.85 2jbr h GLN 50 N 0.48 0.58 -0.71 1.05 4.20 -1.67 -1.46 115.11 117.58 2jbr h GLN 50 Ca 0.24 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2jbr h GLN 50 Cb 0.33 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2jbr h GLN 50 CO -0.07 0.75 0.34 0.82 -0.67 0.00 0.00 178.83 180.00 2jbr h ILE 51 N 0.36 1.24 -0.68 2.54 1.08 -1.00 -2.34 117.51 118.71 2jbr h ILE 51 Ca 0.08 -0.67 -0.08 0.00 -0.39 0.00 0.00 64.86 63.80 2jbr h ILE 51 Cb 0.51 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 2jbr h ILE 51 CO 0.02 0.28 0.11 0.00 -0.69 0.00 0.00 178.15 177.87 2jbr h ALA 52 N 1.16 0.91 0.00 1.87 0.00 -0.75 -2.82 119.26 119.64 2jbr h ALA 52 Ca 0.24 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jbr h ALA 52 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jbr h ALA 52 CO -0.03 0.67 -0.40 0.87 0.00 0.00 0.00 179.25 180.36 2jbr h LYS 53 N 1.05 0.00 -0.00 0.00 1.79 -1.14 -2.97 116.57 115.30 2jbr h LYS 53 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2jbr h LYS 53 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2jbr h LYS 53 CO 0.01 0.40 -0.05 0.09 -1.08 0.00 0.00 179.45 178.82 2jbr n ASN 54 N -3.63 0.05 -0.10 0.86 3.02 -0.89 -4.37 115.26 110.20 2jbr n ASN 54 Ca -0.01 0.40 0.02 0.00 -0.03 0.00 0.00 54.58 54.96 2jbr n ASN 54 Cb 0.50 -0.42 0.32 0.00 -0.61 0.00 0.00 39.78 39.58 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 3.02 1.54 -0.22 5.41 0.00 -1.33 0.18 119.26 127.85 2jbr h ALA 55 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2jbr h ALA 55 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jbr h ALA 55 CO 0.00 0.40 -0.52 1.49 0.00 0.00 0.00 179.25 180.62 2jbr h GLU 56 N 0.76 0.74 0.00 0.00 4.81 -1.81 -1.54 114.58 117.54 2jbr h GLU 56 Ca 0.20 -0.50 -0.15 0.00 -0.13 0.00 0.00 59.36 58.77 2jbr h GLU 56 Cb -0.02 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2jbr h GLU 56 CO -0.04 1.13 -0.74 0.66 -0.73 0.00 0.00 179.01 179.29 2jbr h SER 57 N 0.47 0.00 -0.68 1.04 4.64 -1.77 -2.91 113.55 114.35 2jbr h SER 57 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2jbr h SER 57 Cb 1.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2jbr h SER 57 CO 0.11 0.74 0.37 0.00 -0.87 0.00 0.00 176.83 177.18 2jbr h ALA 58 N 1.26 0.87 -0.67 5.18 0.00 -0.61 0.22 119.26 125.52 2jbr h ALA 58 Ca -0.01 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2jbr h ALA 58 Cb 1.39 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2jbr h ALA 58 CO 0.10 0.39 0.38 1.49 0.00 0.00 0.00 179.25 181.60 2jbr h GLU 59 N 0.93 0.68 0.00 0.00 4.57 -1.20 -2.09 114.58 117.47 2jbr h GLU 59 Ca 0.24 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.19 2jbr h GLU 59 Cb 0.05 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 2jbr h GLU 59 CO -0.04 0.45 -0.90 1.96 -1.18 0.00 0.00 179.01 179.31 2jbr h GLN 60 N 0.70 0.00 0.00 1.92 4.20 -1.29 -3.20 115.11 117.44 2jbr h GLN 60 Ca 0.30 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 2jbr h GLN 60 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2jbr h GLN 60 CO -0.18 0.90 -0.36 1.25 -0.67 0.00 0.00 178.83 179.77 2jbr h LEU 61 N 0.00 0.00 2.33 1.46 5.85 -0.75 -3.47 115.31 120.72 2jbr h LEU 61 Ca -0.01 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.34 2jbr h LEU 61 Cb 1.59 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 2jbr h LEU 61 CO 0.12 0.36 -0.45 0.54 -0.34 0.00 0.00 178.44 178.66 2jbr n ARG 62 N -3.76 -1.45 -3.70 1.25 1.74 -0.80 -4.96 116.66 104.98 2jbr n ARG 62 Ca -0.01 0.94 -0.07 0.00 -0.77 0.00 0.00 57.85 57.95 2jbr n ARG 62 Cb 0.44 -5.43 -0.02 0.00 -1.02 0.00 0.00 32.46 26.43 2jbr n ARG 62 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2jbr s ARG 63 N -4.68 1.36 0.04 5.56 1.70 -1.24 -3.25 118.95 118.43 2jbr s ARG 63 Ca 0.00 -0.69 -0.31 0.00 -0.47 0.00 0.00 55.73 54.27 2jbr s ARG 63 Cb 0.00 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.82 2jbr s ARG 63 CO 0.00 -0.61 1.37 0.08 -1.08 0.00 0.00 175.30 175.05 2jbr s VAL 64 N -3.56 3.65 0.45 4.99 1.01 -0.27 -4.70 120.40 121.98 2jbr s VAL 64 Ca 0.09 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.93 2jbr s VAL 64 Cb -0.03 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2jbr s VAL 64 CO -0.00 0.03 1.37 -2.65 0.00 0.00 0.00 175.10 173.85 2jbr n PRO 65 N 4.77 2.09 -0.30 2.72 -0.02 -1.26 -4.88 135.00 138.11 2jbr n PRO 65 Ca 0.12 0.75 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 2jbr n PRO 65 Cb 0.44 -2.55 0.35 0.00 -0.02 0.00 0.00 33.50 31.72 2jbr n PRO 65 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jbr h ASP 66 N 2.12 0.72 -0.83 2.55 5.19 -2.00 -1.32 116.42 122.85 2jbr h ASP 66 Ca -0.50 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 55.98 2jbr h ASP 66 Cb 1.28 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 2jbr h ASP 66 CO 0.60 0.34 0.54 -0.08 -3.12 0.00 0.00 179.24 177.53 2jbr h GLU 67 N 0.75 1.05 -0.03 3.56 4.81 -1.99 -0.51 114.58 122.22 2jbr h GLU 67 Ca 0.48 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2jbr h GLU 67 Cb 0.74 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2jbr h GLU 67 CO -0.25 0.70 0.00 -0.91 -0.73 0.00 0.00 179.01 177.83 2jbr h ASN 68 N 1.09 -0.00 -0.51 1.04 4.21 -1.61 -0.31 115.58 119.48 2jbr h ASN 68 Ca 0.32 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.83 2jbr h ASN 68 Cb -0.07 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.11 2jbr h ASN 68 CO -0.09 0.01 0.33 0.40 -1.29 0.00 0.00 177.43 176.79 2jbr h ILE 69 N 0.02 1.13 -0.37 2.81 1.08 -1.31 -1.17 117.51 119.70 2jbr h ILE 69 Ca 0.01 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2jbr h ILE 69 Cb 0.01 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 2jbr h ILE 69 CO -0.02 0.13 0.23 0.50 -0.69 0.00 0.00 178.15 178.30 2jbr h LYS 70 N 0.69 0.46 -0.51 2.37 3.64 -0.97 0.68 116.57 122.92 2jbr h LYS 70 Ca 0.19 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 2jbr h LYS 70 Cb -0.07 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2jbr h LYS 70 CO -0.04 0.30 0.12 -0.07 -2.27 0.00 0.00 179.45 177.50 2jbr h LEU 71 N 0.47 0.78 -0.45 5.20 3.38 -0.84 -0.61 115.31 123.25 2jbr h LEU 71 Ca 0.14 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 2jbr h LEU 71 Cb -0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2jbr h LEU 71 CO -0.05 0.81 -0.51 -0.07 0.09 0.00 0.00 178.44 178.71 2jbr h LEU 72 N 0.71 0.78 -0.68 1.67 3.38 -1.06 -2.61 115.31 117.50 2jbr h LEU 72 Ca 0.16 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 2jbr h LEU 72 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jbr h LEU 72 CO 0.00 1.15 -0.54 0.11 0.09 0.00 0.00 178.44 179.25 2jbr h LYS 73 N 0.55 0.32 -0.83 1.13 1.57 -0.85 -2.21 116.57 116.25 2jbr h LYS 73 Ca 0.02 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2jbr h LYS 73 Cb 1.08 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 2jbr h LYS 73 CO 0.11 0.78 0.47 1.49 -0.57 0.00 0.00 179.45 181.73 2jbr h GLU 74 N 0.25 1.15 0.00 3.15 4.81 -0.98 -1.58 114.58 121.38 2jbr h GLU 74 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2jbr h GLU 74 Cb 1.04 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2jbr h GLU 74 CO 0.09 0.83 0.00 0.44 -0.73 0.00 0.00 179.01 179.64 2jbr n ILE 75 N -4.41 0.56 -0.57 2.32 -5.35 -1.00 -4.94 119.36 105.97 2jbr n ILE 75 Ca 0.08 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2jbr n ILE 75 Cb 0.08 -0.67 0.00 0.00 -1.74 0.00 0.00 39.64 37.31 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 1.10 0.74 0.26 3.28 0.00 -0.60 -4.99 105.19 104.98 2jbr n GLY 76 Ca 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 2jbr n GLY 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jbr h LEU 77 N 0.00 0.54 -2.68 0.99 5.85 -1.64 -2.63 115.31 115.75 2jbr h LEU 77 Ca 0.00 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2jbr h LEU 77 Cb 0.06 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2jbr h LEU 77 CO 0.00 0.68 0.08 1.12 -0.34 0.00 0.00 178.44 179.98 2jbr h HIS 78 N 0.52 0.00 -0.53 1.25 2.07 -1.89 -1.46 115.15 115.10 2jbr h HIS 78 Ca 0.10 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.62 2jbr h HIS 78 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 2jbr h HIS 78 CO 0.02 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.42 2jbr n ARG 79 N -3.22 3.02 -0.19 5.12 1.74 -0.99 -4.52 116.66 117.62 2jbr n ARG 79 Ca -0.02 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.83 2jbr n ARG 79 Cb 0.15 -1.71 0.10 0.00 -1.02 0.00 0.00 32.46 29.98 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 3.86 0.63 -0.19 7.54 0.00 -1.41 0.62 119.26 130.31 2jbr h ALA 80 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jbr h ALA 80 Cb 1.13 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2jbr h ALA 80 CO 0.15 -0.35 0.00 1.19 0.00 0.00 0.00 179.25 180.24 2jbr n PHE 81 N -5.20 0.28 -2.48 0.00 3.72 -1.26 0.12 117.46 112.65 2jbr n PHE 81 Ca 0.08 -0.54 -0.41 0.00 -0.05 0.00 0.00 57.45 56.54 2jbr n PHE 81 Cb 0.32 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.17 4.61 0.46 -1.08 0.74 -1.16 -3.64 119.66 118.42 2jbr s GLN 82 Ca 0.15 1.78 -0.24 0.00 0.05 0.00 0.00 55.36 57.10 2jbr s GLN 82 Cb 0.09 -3.23 -0.08 0.00 1.10 0.00 0.00 33.01 30.89 2jbr s GLN 82 CO 0.08 0.14 1.22 -2.30 -0.55 0.00 0.00 175.29 173.88 2jbr n PRO 83 N 1.73 1.70 0.05 1.67 -0.02 -1.26 -3.48 135.00 135.40 2jbr n PRO 83 Ca 0.01 0.61 0.09 0.00 -2.02 0.00 0.00 63.50 62.19 2jbr n PRO 83 Cb 0.45 -2.35 0.54 0.00 -0.02 0.00 0.00 33.50 32.13 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 1.72 0.27 -0.13 -0.52 1.57 -1.92 -1.74 116.57 115.83 2jbr h LYS 84 Ca -0.48 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.32 2jbr h LYS 84 Cb 1.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2jbr h LYS 84 CO 0.58 0.18 0.09 -0.39 -0.57 0.00 0.00 179.45 179.34 2jbr h VAL 85 N 0.28 0.91 -0.40 0.50 -1.51 -1.90 -0.64 116.25 113.49 2jbr h VAL 85 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.62 2jbr h VAL 85 Cb 0.26 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2jbr h VAL 85 CO -0.03 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.09 2jbr n TYR 86 N -4.46 0.52 -0.27 5.19 4.01 -0.89 -4.90 117.16 116.36 2jbr n TYR 86 Ca 0.00 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 2jbr n TYR 86 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.35 0.84 3.89 2.72 0.00 -0.25 -4.88 105.19 108.86 2jbr n GLY 87 Ca 0.18 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.20 1.61 -0.12 -0.02 0.00 -0.71 -4.96 107.32 100.93 2jbr s GLY 88 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.26 2jbr s GLY 88 CO 0.00 -0.08 0.38 1.04 0.00 0.00 0.00 173.10 174.44 2jbr n LEU 89 N -3.21 1.55 -3.73 0.66 4.77 0.20 -4.17 117.00 113.07 2jbr n LEU 89 Ca 0.08 0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 56.00 2jbr n LEU 89 Cb 0.59 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2jbr n LEU 89 CO 0.57 0.62 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.53 2jbr n GLU 90 N -3.17 -2.28 -1.64 3.23 1.02 -0.66 -4.93 120.64 112.22 2jbr n GLU 90 Ca -0.27 0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 56.99 2jbr n GLU 90 Cb 1.06 -4.44 0.08 0.00 -0.02 0.00 0.00 31.44 28.12 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 -6.04 2.41 0.61 3.49 -1.94 0.12 -4.93 119.30 113.01 2jbr s MET 91 Ca 0.30 1.93 -0.16 0.00 -1.71 0.00 0.00 55.69 56.05 2jbr s MET 91 Cb -0.10 -1.84 -0.03 0.00 2.01 0.00 0.00 34.83 34.87 2jbr s MET 91 CO 0.85 -1.67 1.09 -1.54 -0.01 0.00 0.00 175.02 173.74 2jbr s SER 92 N -1.65 5.52 0.15 3.03 1.04 -1.26 -4.87 113.70 115.67 2jbr s SER 92 Ca 0.79 1.96 -0.17 0.00 0.48 0.00 0.00 55.95 59.01 2jbr s SER 92 Cb -0.34 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.30 2jbr s SER 92 CO 0.41 -1.35 1.72 0.25 0.98 0.00 0.00 173.24 175.26 2jbr h LEU 93 N 0.46 -0.04 -0.81 2.42 5.85 -1.95 -2.18 115.31 119.06 2jbr h LEU 93 Ca -0.47 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.40 2jbr h LEU 93 Cb 1.24 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 2jbr h LEU 93 CO 0.56 0.02 0.45 -0.65 -0.34 0.00 0.00 178.44 178.48 2jbr h PRO 94 N 0.15 0.73 -0.28 5.25 0.11 -1.94 0.57 132.00 136.60 2jbr h PRO 94 Ca 0.16 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 2jbr h PRO 94 Cb 0.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 2jbr h PRO 94 CO -0.24 0.49 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.41 2jbr h ASP 95 N 0.76 0.64 0.08 -2.05 3.32 -1.90 -1.92 116.42 115.35 2jbr h ASP 95 Ca 0.39 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2jbr h ASP 95 Cb 0.37 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2jbr h ASP 95 CO -0.25 0.94 -0.04 0.15 -1.72 0.00 0.00 179.24 178.32 2jbr h PHE 96 N 0.35 -0.10 -0.97 4.55 3.57 -1.15 -2.82 116.94 120.36 2jbr h PHE 96 Ca 0.05 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.64 2jbr h PHE 96 Cb 0.73 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.43 2jbr h PHE 96 CO 0.07 0.01 0.63 0.00 -2.23 0.00 0.00 178.31 176.78 2jbr h ALA 97 N 0.72 1.48 -0.04 2.41 0.00 -0.83 -0.92 119.26 122.09 2jbr h ALA 97 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2jbr h ALA 97 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2jbr h ALA 97 CO 0.02 0.34 -0.29 -0.91 0.00 0.00 0.00 179.25 178.41 2jbr h ASN 98 N 1.07 0.06 -0.52 0.00 2.35 -1.31 -0.51 115.58 116.72 2jbr h ASN 98 Ca 0.44 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 56.06 2jbr h ASN 98 Cb 0.28 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2jbr h ASN 98 CO -0.19 0.36 -0.11 0.00 -1.65 0.00 0.00 177.43 175.84 2jbr h ILE 100 N 0.90 1.29 -0.01 0.00 1.08 -0.96 -1.06 117.51 118.75 2jbr h ILE 100 Ca 0.14 -1.67 0.02 0.00 -0.39 0.00 0.00 64.86 62.96 2jbr h ILE 100 Cb 0.67 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 2jbr h ILE 100 CO 0.05 0.54 -0.14 0.58 -0.69 0.00 0.00 178.15 178.48 2jbr h VAL 101 N 0.59 0.64 -0.31 1.67 2.07 -1.06 -0.56 116.25 119.30 2jbr h VAL 101 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2jbr h VAL 101 Cb 1.04 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2jbr h VAL 101 CO 0.10 0.00 0.13 0.74 0.02 0.00 0.00 177.57 178.56 2jbr h THR 102 N -0.24 1.17 -0.66 2.57 2.02 -1.29 -2.89 112.91 113.60 2jbr h THR 102 Ca 0.05 -0.53 0.06 0.00 0.77 0.00 0.00 66.41 66.76 2jbr h THR 102 Cb 0.30 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2jbr h THR 102 CO -0.15 0.18 0.36 0.25 0.37 0.00 0.00 175.52 176.54 2jbr h LEU 103 N 0.36 0.53 -2.43 2.58 5.85 -1.13 -2.59 115.31 118.48 2jbr h LEU 103 Ca 0.11 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2jbr h LEU 103 Cb 0.17 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2jbr h LEU 103 CO -0.01 0.35 -0.03 0.00 -0.34 0.00 0.00 178.44 178.41 2jbr h ALA 104 N 1.35 1.28 0.00 1.25 0.00 -0.89 -1.10 119.26 121.14 2jbr h ALA 104 Ca 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2jbr h ALA 104 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jbr h ALA 104 CO -0.18 0.04 -0.20 0.78 0.00 0.00 0.00 179.25 179.69 2jbr h GLY 105 N 0.33 0.00 0.32 0.00 0.00 -1.33 -3.23 103.07 99.16 2jbr h GLY 105 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2jbr h GLY 105 CO 0.00 0.00 -1.83 0.00 0.00 0.00 0.00 176.54 174.72 2jbr n ALA 106 N -2.39 0.91 -3.22 3.60 0.00 -0.46 -4.92 120.51 114.03 2jbr n ALA 106 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 2jbr n ALA 106 Cb 0.28 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 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 8.07 0.54 -0.71 0.00 0.00 -1.81 -2.10 119.26 123.26 2jbr h ALA 108 Ca -0.21 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 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 0.28 0.78 0.00 0.00 0.00 179.25 181.13 2jbr h GLY 109 N 0.65 1.14 0.98 0.00 0.00 -1.89 0.14 103.07 104.10 2jbr h GLY 109 Ca 0.08 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2jbr h GLY 109 CO 0.07 0.58 -0.01 -0.84 0.00 0.00 0.00 176.54 176.34 2jbr h THR 110 N 1.01 0.99 -0.50 4.70 2.02 -1.73 -0.51 112.91 118.90 2jbr h THR 110 Ca 0.24 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.39 2jbr h THR 110 Cb 0.21 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2jbr h THR 110 CO -0.02 0.01 0.32 0.00 0.37 0.00 0.00 175.52 176.20 2jbr h ALA 111 N 0.93 0.63 -0.04 6.16 0.00 -1.17 0.12 119.26 125.89 2jbr h ALA 111 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jbr h ALA 111 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2jbr h ALA 111 CO 0.01 0.04 0.02 2.35 0.00 0.00 0.00 179.25 181.67 2jbr h TRP 112 N 0.64 0.06 -0.28 0.00 2.91 -0.64 0.88 115.95 119.52 2jbr h TRP 112 Ca 0.19 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.15 2jbr h TRP 112 Cb -0.04 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 2jbr h TRP 112 CO -0.05 0.18 -0.05 0.00 -1.03 0.00 0.00 178.44 177.49 2jbr h ALA 113 N 0.87 0.39 -0.34 2.65 0.00 -1.03 -3.05 119.26 118.76 2jbr h ALA 113 Ca 0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2jbr h ALA 113 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jbr h ALA 113 CO -0.00 0.19 -0.35 0.35 0.00 0.00 0.00 179.25 179.44 2jbr h PHE 114 N 0.30 0.90 -0.45 0.00 3.57 -0.74 -2.00 116.94 118.52 2jbr h PHE 114 Ca 0.07 -0.25 0.09 0.00 3.53 0.00 0.00 57.97 61.41 2jbr h PHE 114 Cb 0.52 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 2jbr h PHE 114 CO 0.05 1.00 -0.09 1.03 -2.23 0.00 0.00 178.31 178.07 2jbr h SER 115 N 0.64 -0.38 -0.64 0.41 0.87 -0.86 -0.69 113.55 112.90 2jbr h SER 115 Ca 0.06 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 2jbr h SER 115 Cb 0.89 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2jbr h SER 115 CO 0.08 -0.13 0.16 -0.07 -0.53 0.00 0.00 176.83 176.34 2jbr h LEU 116 N 0.02 0.96 -1.63 2.23 3.38 -1.39 0.22 115.31 119.10 2jbr h LEU 116 Ca 0.22 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2jbr h LEU 116 Cb 0.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2jbr h LEU 116 CO -0.45 0.94 0.34 -0.07 0.09 0.00 0.00 178.44 179.29 2jbr h LEU 117 N 0.94 0.40 0.00 1.67 3.38 -0.92 -1.62 115.31 119.16 2jbr h LEU 117 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2jbr h LEU 117 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jbr h LEU 117 CO 0.00 0.26 -0.21 0.00 0.09 0.00 0.00 178.44 178.58 2jbr h THR 119 N -0.56 0.29 -0.27 0.00 1.35 -0.32 -2.86 112.91 110.55 2jbr h THR 119 Ca -0.03 -0.86 -0.05 0.00 -0.55 0.00 0.00 66.41 64.92 2jbr h THR 119 Cb 0.98 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 2jbr h THR 119 CO 0.04 0.12 -0.05 0.45 -0.25 0.00 0.00 175.52 175.83 2jbr h HIS 120 N 0.00 0.43 -0.29 4.73 -0.00 -1.44 -2.49 115.15 116.09 2jbr h HIS 120 Ca -0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 2jbr h HIS 120 Cb 0.67 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 2jbr h HIS 120 CO 0.00 0.47 0.15 0.77 -0.00 0.00 0.00 177.93 179.32 2jbr h SER 121 N 0.40 0.35 -0.88 2.45 0.02 -1.67 -0.53 113.55 113.68 2jbr h SER 121 Ca 0.08 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2jbr h SER 121 Cb 0.34 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 2jbr h SER 121 CO 0.01 0.29 0.48 -0.74 -1.14 0.00 0.00 176.83 175.73 2jbr h HIS 122 N 0.40 1.21 0.14 3.45 6.17 -1.51 -1.95 115.15 123.07 2jbr h HIS 122 Ca 0.10 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 2jbr h HIS 122 Cb 0.02 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 29.57 2jbr h HIS 122 CO 0.00 0.84 -0.07 0.37 0.71 0.00 0.00 177.93 179.78 2jbr h GLN 123 N 1.23 -0.19 -0.87 5.26 4.15 -1.33 -3.15 115.11 120.22 2jbr h GLN 123 Ca 0.31 0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.95 2jbr h GLN 123 Cb 0.03 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 2jbr h GLN 123 CO -0.05 0.21 0.59 0.82 -1.93 0.00 0.00 178.83 178.47 2jbr h ILE 124 N -0.64 0.66 0.00 2.39 2.04 -1.09 0.16 117.51 121.03 2jbr h ILE 124 Ca -0.02 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2jbr h ILE 124 Cb 0.48 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2jbr h ILE 124 CO 0.03 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2jbr n ALA 125 N -2.56 1.31 0.92 1.87 0.00 -0.74 -1.60 120.51 119.71 2jbr n ALA 125 Ca 0.18 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.73 2jbr n ALA 125 Cb 0.73 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.63 0.98 -1.69 0.00 2.81 0.57 -4.76 117.12 113.39 2jbr n MET 126 Ca 0.01 -0.53 -0.30 0.00 -1.81 0.00 0.00 57.70 55.08 2jbr n MET 126 Cb 0.09 -1.42 0.17 0.00 -0.71 0.00 0.00 33.22 31.34 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 -2.56 1.73 0.64 2.03 0.40 -0.63 -1.16 117.98 118.43 2jbr s PHE 127 Ca 0.13 0.51 -0.18 0.00 -0.60 0.00 0.00 56.93 56.78 2jbr s PHE 127 Cb 0.16 -3.77 -0.02 0.00 0.51 0.00 0.00 43.02 39.90 2jbr s PHE 127 CO 0.65 -2.72 1.27 -1.13 0.70 0.00 0.00 175.22 173.99 2jbr n SER 128 N -3.90 2.02 -0.25 1.36 3.41 -1.26 -2.80 113.62 112.19 2jbr n SER 128 Ca 0.12 0.84 0.17 0.00 -0.26 0.00 0.00 58.87 59.74 2jbr n SER 128 Cb 0.60 -1.54 0.46 0.00 -0.26 0.00 0.00 64.21 63.46 2jbr n SER 128 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jbr h LYS 129 N 0.61 0.49 -0.51 4.33 3.64 -1.95 -2.38 116.57 120.80 2jbr h LYS 129 Ca -0.51 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 2jbr h LYS 129 Cb 1.34 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2jbr h LYS 129 CO 0.53 0.33 0.16 1.96 -2.27 0.00 0.00 179.45 180.16 2jbr h GLN 130 N 0.51 0.79 -0.40 1.90 7.50 -1.94 0.14 115.11 123.61 2jbr h GLN 130 Ca 0.47 -0.17 -0.04 0.00 0.50 0.00 0.00 58.65 59.41 2jbr h GLN 130 Cb 1.01 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.41 2jbr h GLN 130 CO -0.20 0.74 0.10 1.25 -1.50 0.00 0.00 178.83 179.22 2jbr h LEU 131 N 0.70 0.61 -0.31 1.46 5.85 -1.70 -1.67 115.31 120.24 2jbr h LEU 131 Ca 0.16 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2jbr h LEU 131 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2jbr h LEU 131 CO -0.01 0.68 0.13 1.56 -0.34 0.00 0.00 178.44 180.46 2jbr h GLN 132 N 0.51 0.47 -0.46 1.25 4.20 -1.23 -0.42 115.11 119.44 2jbr h GLN 132 Ca 0.13 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.82 2jbr h GLN 132 Cb 0.30 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2jbr h GLN 132 CO 0.00 0.47 0.12 -0.44 -0.67 0.00 0.00 178.83 178.31 2jbr h ASP 133 N 0.36 0.08 -0.75 1.46 3.32 -0.74 0.22 116.42 120.38 2jbr h ASP 133 Ca 0.11 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2jbr h ASP 133 Cb 0.17 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2jbr h ASP 133 CO -0.01 0.08 0.46 -0.08 -1.72 0.00 0.00 179.24 177.97 2jbr h GLU 134 N 0.27 1.02 0.02 3.56 4.81 -0.94 -0.80 114.58 122.52 2jbr h GLU 134 Ca 0.22 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2jbr h GLU 134 Cb 0.26 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2jbr h GLU 134 CO -0.26 0.70 -0.13 0.82 -0.73 0.00 0.00 179.01 179.41 2jbr h ILE 135 N 1.04 1.69 0.00 2.32 2.04 -0.61 -3.39 117.51 120.60 2jbr h ILE 135 Ca 0.27 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.93 2jbr h ILE 135 Cb -0.06 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2jbr h ILE 135 CO -0.05 0.58 -1.83 0.79 0.00 0.00 0.00 178.15 177.64 2jbr n TRP 136 N -4.56 0.00 -0.05 1.37 8.01 0.75 -2.75 117.44 120.21 2jbr n TRP 136 Ca -0.10 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.93 2jbr n TRP 136 Cb 0.50 -0.42 -0.06 0.00 -2.01 0.00 0.00 31.31 29.33 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 0.50 -0.99 3.38 -1.30 -2.57 115.31 115.28 2jbr h LEU 137 Ca 0.00 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 2jbr h LEU 137 Cb 0.84 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2jbr h LEU 137 CO 0.00 1.36 -0.42 0.50 0.09 0.00 0.00 178.44 179.97 2jbr h LYS 138 N 0.57 -0.88 -2.60 1.13 3.64 -1.72 -3.42 116.57 113.29 2jbr h LYS 138 Ca -0.02 0.06 -0.42 0.00 -1.27 0.00 0.00 60.65 59.00 2jbr h LYS 138 Cb 1.27 0.20 -0.37 0.00 -0.41 0.00 0.00 32.23 32.92 2jbr h LYS 138 CO 0.14 -0.59 -0.71 0.34 -2.27 0.00 0.00 179.45 176.37 2jbr s ASP 139 N -4.44 2.41 0.63 4.20 2.15 -1.11 -5.02 116.67 115.49 2jbr s ASP 139 Ca -0.18 -0.82 0.40 0.00 0.43 0.00 0.00 52.55 52.38 2jbr s ASP 139 Cb 0.05 0.05 2.10 0.00 -0.30 0.00 0.00 42.92 44.82 2jbr s ASP 139 CO 0.62 -0.39 2.27 -0.65 -0.17 0.00 0.00 175.17 176.85 2jbr h PRO 140 N 8.35 0.00 -0.43 4.34 0.11 -1.71 -2.52 132.00 140.15 2jbr h PRO 140 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2jbr h PRO 140 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jbr h PRO 140 CO 0.36 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 177.91 2jbr n ASP 141 N -3.21 3.25 -4.76 -2.05 8.00 -1.26 -4.97 116.55 111.53 2jbr n ASP 141 Ca -0.02 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 2jbr n ASP 141 Cb 0.13 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 2jbr n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jbr s ALA 142 N -1.44 3.42 0.20 2.24 0.00 -0.95 -5.05 121.76 120.18 2jbr s ALA 142 Ca 0.39 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.41 2jbr s ALA 142 Cb 0.22 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2jbr s ALA 142 CO 0.31 -0.33 -0.04 0.95 0.00 0.00 0.00 175.76 176.65 2jbr s THR 143 N -1.17 1.10 0.09 0.00 -4.23 -1.26 -5.00 115.64 105.17 2jbr s THR 143 Ca 0.46 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 2jbr s THR 143 Cb -0.34 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2jbr s THR 143 CO 0.45 -0.49 -0.12 0.00 -0.54 0.00 0.00 174.62 173.92 2jbr s ALA 144 N -3.37 2.88 0.32 3.99 0.00 -1.26 -1.19 121.76 123.13 2jbr s ALA 144 Ca 0.24 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2jbr s ALA 144 Cb 0.04 -0.87 0.05 0.00 0.00 0.00 0.00 23.12 22.34 2jbr s ALA 144 CO 0.06 0.62 0.41 -1.13 0.00 0.00 0.00 175.76 175.72 2jbr n SER 145 N 0.91 1.33 -3.74 0.00 3.41 -0.19 -4.32 113.62 111.02 2jbr n SER 145 Ca -0.14 -1.90 -0.10 0.00 -0.26 0.00 0.00 58.87 56.47 2jbr n SER 145 Cb 0.52 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.99 -0.23 -0.27 4.04 1.04 -1.26 -0.12 113.70 113.91 2jbr s SER 146 Ca 0.31 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2jbr s SER 146 Cb -0.02 0.54 0.16 0.00 0.10 0.00 0.00 66.02 66.80 2jbr s SER 146 CO 0.20 -0.99 0.44 -0.55 0.98 0.00 0.00 173.24 173.32 2jbr s SER 147 N -2.87 -0.12 -0.01 7.02 0.15 -0.49 -4.01 113.70 113.38 2jbr s SER 147 Ca 0.09 0.07 0.18 0.00 0.70 0.00 0.00 55.95 56.99 2jbr s SER 147 Cb 0.00 1.35 -0.22 0.00 -1.71 0.00 0.00 66.02 65.44 2jbr s SER 147 CO -0.05 -0.32 0.69 2.30 1.20 0.00 0.00 173.24 177.07 2jbr n ILE 148 N 5.37 0.00 -2.26 6.45 -6.64 -1.26 -1.91 119.36 119.11 2jbr n ILE 148 Ca -0.01 -0.15 -0.42 0.00 -1.77 0.00 0.00 62.75 60.40 2jbr n ILE 148 Cb 0.50 0.79 -0.03 0.00 -1.44 0.00 0.00 39.64 39.47 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 -2.86 3.57 -1.20 -1.28 0.00 -1.26 -4.12 121.76 114.62 2jbr s ALA 149 Ca 0.04 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 2jbr s ALA 149 Cb 0.13 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 2jbr s ALA 149 CO 0.76 -0.92 2.25 -0.35 0.00 0.00 0.00 175.76 177.50 2jbr n PRO 150 N 5.46 2.48 0.06 0.00 -0.04 -1.26 -4.57 135.00 137.13 2jbr n PRO 150 Ca 0.13 -2.13 0.12 0.00 -0.04 0.00 0.00 63.50 61.58 2jbr n PRO 150 Cb 0.44 -2.96 0.12 0.00 -0.04 0.00 0.00 33.50 31.05 2jbr n PRO 150 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jbr n PHE 151 N 5.77 0.53 -2.24 0.54 3.72 -1.26 -4.65 117.46 119.87 2jbr n PHE 151 Ca 0.55 0.15 -0.35 0.00 -0.05 0.00 0.00 57.45 57.75 2jbr n PHE 151 Cb 0.33 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 2jbr n PHE 151 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2jbr s GLY 152 N -3.73 2.59 -0.12 1.37 0.00 -1.26 -4.89 107.32 101.28 2jbr s GLY 152 Ca 0.05 0.79 -0.15 0.00 0.00 0.00 0.00 44.72 45.41 2jbr s GLY 152 CO 0.75 1.15 0.38 0.54 0.00 0.00 0.00 173.10 175.91 2jbr s LYS 153 N -3.34 4.22 -0.15 2.90 1.02 0.14 -4.74 119.74 119.80 2jbr s LYS 153 Ca 0.72 0.27 -0.01 0.00 0.02 0.00 0.00 55.97 56.97 2jbr s LYS 153 Cb -0.23 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 2jbr s LYS 153 CO 0.28 0.28 -0.12 0.54 -0.92 0.00 0.00 175.35 175.41 2jbr s VAL 154 N 0.27 3.05 -0.23 3.17 0.11 -1.26 -1.49 120.40 124.03 2jbr s VAL 154 Ca 0.21 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.56 2jbr s VAL 154 Cb -0.14 -2.30 -0.02 0.00 -1.53 0.00 0.00 36.38 32.39 2jbr s VAL 154 CO 0.08 0.51 0.01 -0.70 -3.33 0.00 0.00 175.10 171.66 2jbr s GLU 155 N 0.59 3.52 -0.40 1.54 2.12 0.08 -4.97 118.70 121.18 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 31.09 2jbr s GLU 155 CO 0.03 -0.17 1.54 -1.21 -0.54 0.00 0.00 175.26 174.91 2jbr s GLU 156 N 1.47 3.46 0.26 4.30 0.41 -1.26 -0.53 118.70 126.82 2jbr s GLU 156 Ca 0.05 1.04 0.02 0.00 -0.41 0.00 0.00 54.97 55.68 2jbr s GLU 156 Cb -0.15 -4.09 0.02 0.00 -1.78 0.00 0.00 34.13 28.14 2jbr s GLU 156 CO 0.00 -1.70 0.20 1.33 -0.49 0.00 0.00 175.26 174.60 2jbr n VAL 157 N 7.17 0.00 -3.45 2.63 0.24 -1.10 -4.97 118.33 118.84 2jbr n VAL 157 Ca 0.18 -1.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.08 2jbr n VAL 157 Cb 0.48 -0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 32.48 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 -3.07 4.02 0.00 7.34 -1.05 -1.26 -3.80 118.70 120.88 2jbr s GLU 158 Ca 0.16 0.43 0.00 0.00 -0.15 0.00 0.00 54.97 55.41 2jbr s GLU 158 Cb -0.01 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 2jbr s GLU 158 CO 0.10 0.59 0.00 0.41 0.95 0.00 0.00 175.26 177.31 2jbr n GLY 159 N 2.10 0.50 0.00 -3.83 0.00 -1.26 -4.91 105.19 97.79 2jbr n GLY 159 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.98 -0.25 3.24 -0.02 0.00 -1.25 -1.34 105.19 102.59 2jbr n GLY 160 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.16 -0.61 -4.36 -0.50 -2.72 121.20 109.62 2jbr s ILE 161 Ca 0.00 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.38 2jbr s ILE 161 Cb 0.00 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 2jbr s ILE 161 CO 0.00 -0.57 -0.07 -0.63 0.24 0.00 0.00 174.94 173.92 2jbr s ILE 162 N -3.59 3.51 -0.09 8.37 1.01 0.31 -1.10 121.20 129.62 2jbr s ILE 162 Ca 0.21 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.41 2jbr s ILE 162 Cb 0.05 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2jbr s ILE 162 CO 0.02 0.49 -0.21 -0.22 0.00 0.00 0.00 174.94 175.03 2jbr s LEU 163 N 0.57 2.30 -0.01 2.97 2.96 0.62 -0.74 118.68 127.36 2jbr s LEU 163 Ca -0.05 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2jbr s LEU 163 Cb -0.15 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 2jbr s LEU 163 CO 0.03 0.21 -0.19 0.20 -1.32 0.00 0.00 176.35 175.27 2jbr s ASN 164 N 0.05 2.29 0.00 3.68 -0.87 -0.55 -1.32 114.94 118.22 2jbr s ASN 164 Ca -0.09 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 50.83 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 0.05 0.23 0.00 0.61 -2.57 0.00 0.00 177.10 175.42 2jbr n GLY 165 N 2.50 3.21 3.59 0.66 0.00 -0.62 0.28 105.19 114.82 2jbr n GLY 165 Ca -0.15 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 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 6.35 -0.65 1.61 1.01 -1.26 -1.05 116.67 122.68 2jbr s ASP 166 Ca 0.00 0.28 -0.05 0.00 0.71 0.00 0.00 52.55 53.49 2jbr s ASP 166 Cb 0.00 -2.26 0.17 0.00 1.01 0.00 0.00 42.92 41.84 2jbr s ASP 166 CO 0.00 -0.32 0.49 -0.31 0.21 0.00 0.00 175.17 175.23 2jbr s TYR 167 N 2.28 3.48 0.88 4.23 2.02 0.13 -4.84 117.35 125.53 2jbr s TYR 167 Ca 0.19 -2.55 -0.12 0.00 -0.37 0.00 0.00 57.07 54.21 2jbr s TYR 167 Cb -0.16 -3.32 0.12 0.00 -0.40 0.00 0.00 41.96 38.21 2jbr s TYR 167 CO 0.11 -0.88 1.12 0.20 -1.57 0.00 0.00 175.55 174.53 2jbr s GLY 168 N 1.04 1.59 -1.15 0.71 0.00 -1.26 -0.24 107.32 108.01 2jbr s GLY 168 Ca 0.16 -0.38 -0.15 0.00 0.00 0.00 0.00 44.72 44.36 2jbr s GLY 168 CO -0.04 0.14 0.79 0.79 0.00 0.00 0.00 173.10 174.78 2jbr n TRP 169 N -3.71 -2.01 -3.37 1.90 8.01 -1.20 -4.72 117.44 112.33 2jbr n TRP 169 Ca 0.07 0.59 -0.45 0.00 -1.31 0.00 0.00 57.50 56.39 2jbr n TRP 169 Cb 0.58 -3.70 -0.02 0.00 -2.01 0.00 0.00 31.31 26.15 2jbr n TRP 169 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2jbr s SER 170 N -3.60 6.82 0.28 -0.99 0.15 -0.18 -4.75 113.70 111.43 2jbr s SER 170 Ca 0.40 -3.02 -0.30 0.00 0.70 0.00 0.00 55.95 53.72 2jbr s SER 170 Cb -0.12 -2.18 -0.12 0.00 -1.71 0.00 0.00 66.02 61.89 2jbr s SER 170 CO 0.83 -0.46 1.57 -1.20 1.20 0.00 0.00 173.24 175.19 2jbr n SER 171 N 3.49 3.66 -0.08 5.45 7.64 -1.26 -2.18 113.62 130.34 2jbr n SER 171 Ca 0.17 1.14 -0.01 0.00 1.01 0.00 0.00 58.87 61.18 2jbr n SER 171 Cb 0.44 -1.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.07 2jbr n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jbr n GLY 172 N 2.31 0.41 0.26 0.23 0.00 -0.04 -4.61 105.19 103.76 2jbr n GLY 172 Ca 0.10 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.14 0.00 -0.02 0.00 3.32 -1.85 -3.04 116.42 114.97 2jbr h ASP 174 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2jbr h ASP 174 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2jbr h ASP 174 CO 0.00 0.03 -0.02 1.41 -1.72 0.00 0.00 179.24 178.94 2jbr n HIS 175 N -3.26 0.00 -3.83 4.55 8.25 -0.51 -5.00 115.22 115.42 2jbr n HIS 175 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 2jbr n HIS 175 Cb 0.17 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 2jbr n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jbr s ALA 176 N -1.20 3.93 -0.68 -1.41 0.00 -1.15 -4.84 121.76 116.40 2jbr s ALA 176 Ca 0.16 -0.78 0.23 0.00 0.00 0.00 0.00 51.96 51.56 2jbr s ALA 176 Cb 0.12 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.32 2jbr s ALA 176 CO 0.19 0.71 1.00 0.39 0.00 0.00 0.00 175.76 178.05 2jbr n GLU 177 N 0.04 0.23 -4.11 0.00 4.71 -0.34 -4.88 120.64 116.31 2jbr n GLU 177 Ca -0.04 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.16 56.99 2jbr n GLU 177 Cb 0.52 -1.56 -0.09 0.00 -1.01 0.00 0.00 31.44 29.29 2jbr n GLU 177 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2jbr s TYR 178 N -3.16 0.75 -0.02 -0.32 2.02 -1.00 -0.96 117.35 114.66 2jbr s TYR 178 Ca 0.04 -1.13 0.03 0.00 -0.37 0.00 0.00 57.07 55.64 2jbr s TYR 178 Cb 0.15 -0.39 -0.00 0.00 -0.40 0.00 0.00 41.96 41.32 2jbr s TYR 178 CO 0.81 -0.55 -0.09 0.00 -1.57 0.00 0.00 175.55 174.15 2jbr s ALA 179 N -4.03 0.81 -0.18 3.71 0.00 -0.28 -1.02 121.76 120.77 2jbr s ALA 179 Ca 0.22 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 2jbr s ALA 179 Cb 0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2jbr s ALA 179 CO 0.01 0.16 0.29 0.42 0.00 0.00 0.00 175.76 176.65 2jbr s ILE 180 N -0.02 5.29 -0.05 0.00 1.01 0.82 -1.44 121.20 126.81 2jbr s ILE 180 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.22 2jbr s ILE 180 Cb -0.06 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 2jbr s ILE 180 CO -0.00 0.35 -0.18 -0.69 0.00 0.00 0.00 174.94 174.42 2jbr s VAL 181 N 0.76 1.51 -0.07 2.92 1.01 -0.11 -1.39 120.40 125.02 2jbr s VAL 181 Ca 0.15 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2jbr s VAL 181 Cb -0.13 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2jbr s VAL 181 CO 0.05 0.43 0.26 -0.83 0.00 0.00 0.00 175.10 175.01 2jbr s GLY 182 N 0.06 2.31 0.09 4.51 0.00 -0.80 -0.82 107.32 112.66 2jbr s GLY 182 Ca -0.05 -0.45 -0.20 0.00 0.00 0.00 0.00 44.72 44.02 2jbr s GLY 182 CO 0.03 -0.13 0.49 -0.11 0.00 0.00 0.00 173.10 173.37 2jbr s PHE 183 N -1.04 -0.37 -0.21 1.90 -0.12 -0.54 -4.04 117.98 113.56 2jbr s PHE 183 Ca 0.19 0.26 -0.14 0.00 -0.05 0.00 0.00 56.93 57.19 2jbr s PHE 183 Cb -0.14 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2jbr s PHE 183 CO 0.08 -0.69 0.33 -0.80 -0.05 0.00 0.00 175.22 174.09 2jbr s ASN 184 N -2.34 6.34 0.47 1.98 0.02 -1.26 -0.54 114.94 119.61 2jbr s ASN 184 Ca -0.02 0.39 0.08 0.00 -1.02 0.00 0.00 52.86 52.30 2jbr s ASN 184 Cb 0.00 -2.19 0.03 0.00 0.02 0.00 0.00 41.25 39.11 2jbr s ASN 184 CO -0.07 -0.03 0.61 -0.13 0.02 0.00 0.00 177.10 177.50 2jbr s ARG 185 N 1.24 2.63 0.09 -0.60 0.52 -0.35 -4.79 118.95 117.69 2jbr s ARG 185 Ca 0.15 -1.42 0.08 0.00 -0.52 0.00 0.00 55.73 54.02 2jbr s ARG 185 Cb -0.14 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 2jbr s ARG 185 CO 0.07 -0.45 -0.20 -0.06 0.02 0.00 0.00 175.30 174.69 2jbr s PHE 186 N -2.47 1.69 0.58 -0.53 0.40 -1.26 0.55 117.98 116.93 2jbr s PHE 186 Ca 0.55 -0.42 -0.16 0.00 -0.60 0.00 0.00 56.93 56.30 2jbr s PHE 186 Cb -0.08 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 2jbr s PHE 186 CO 0.34 0.17 1.05 -0.51 0.70 0.00 0.00 175.22 176.97 2jbr s ASP 187 N -1.84 5.91 0.22 1.36 1.01 0.29 -4.86 116.67 118.76 2jbr s ASP 187 Ca 0.05 1.79 0.13 0.00 0.71 0.00 0.00 52.55 55.23 2jbr s ASP 187 Cb -0.10 -2.53 0.80 0.00 1.01 0.00 0.00 42.92 42.10 2jbr s ASP 187 CO 0.04 -1.08 0.92 0.00 0.21 0.00 0.00 175.17 175.26 2jbr n ALA 188 N -1.94 0.62 1.03 5.23 0.00 -1.26 0.33 120.51 124.51 2jbr n ALA 188 Ca 0.08 0.59 0.13 0.00 0.00 0.00 0.00 53.44 54.24 2jbr n ALA 188 Cb 0.53 -0.60 0.42 0.00 0.00 0.00 0.00 19.45 19.80 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 -4.28 0.31 0.00 0.00 8.00 -1.26 -4.93 116.55 114.39 2jbr n ASP 189 Ca 0.22 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2jbr n ASP 189 Cb 0.77 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 2jbr n ASP 189 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jbr n GLY 190 N 1.48 0.70 3.77 0.44 0.00 0.15 -5.06 105.19 106.68 2jbr n GLY 190 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.24 6.10 0.13 1.61 0.01 -1.26 -4.57 114.94 114.72 2jbr s ASN 191 Ca 0.00 2.33 -0.31 0.00 -0.71 0.00 0.00 52.86 54.18 2jbr s ASN 191 Cb 0.00 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.98 2jbr s ASN 191 CO 0.00 -0.97 1.29 -0.54 -1.51 0.00 0.00 177.10 175.37 2jbr s LYS 192 N -2.72 4.39 -0.45 -0.60 1.02 -1.26 -0.55 119.74 119.57 2jbr s LYS 192 Ca 0.64 1.95 0.01 0.00 0.02 0.00 0.00 55.97 58.59 2jbr s LYS 192 Cb -0.29 -3.26 0.12 0.00 -0.52 0.00 0.00 37.83 33.87 2jbr s LYS 192 CO 0.35 -0.29 0.21 0.42 -0.92 0.00 0.00 175.35 175.12 2jbr s ILE 193 N 0.71 2.82 -0.07 2.17 -1.09 0.19 -4.90 121.20 121.03 2jbr s ILE 193 Ca 0.59 -2.66 -0.30 0.00 -2.23 0.00 0.00 60.65 56.06 2jbr s ILE 193 Cb -0.34 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 2jbr s ILE 193 CO 0.32 -0.72 1.64 -0.47 -1.23 0.00 0.00 174.94 174.48 2jbr s TYR 194 N 0.46 2.02 0.13 3.97 5.04 -1.26 -1.21 117.35 126.50 2jbr s TYR 194 Ca 0.13 0.25 0.04 0.00 -2.44 0.00 0.00 57.07 55.05 2jbr s TYR 194 Cb -0.22 -3.90 -0.04 0.00 0.35 0.00 0.00 41.96 38.15 2jbr s TYR 194 CO -0.04 -3.71 -0.10 -1.12 -1.34 0.00 0.00 175.55 169.24 2jbr s SER 195 N 3.35 1.65 -0.02 4.32 0.01 0.30 -1.13 113.70 122.18 2jbr s SER 195 Ca 0.73 -0.95 0.07 0.00 1.31 0.00 0.00 55.95 57.11 2jbr s SER 195 Cb -0.32 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 2jbr s SER 195 CO 0.29 -0.32 -0.24 -0.36 0.41 0.00 0.00 173.24 173.02 2jbr s PHE 196 N -3.07 2.39 -0.05 2.43 0.08 0.87 -1.47 117.98 119.15 2jbr s PHE 196 Ca 0.13 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.83 2jbr s PHE 196 Cb 0.01 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 2jbr s PHE 196 CO -0.00 0.00 -0.21 0.20 -0.10 0.00 0.00 175.22 175.11 2jbr s GLY 197 N -0.66 1.11 -0.27 4.36 0.00 -0.00 -1.16 107.32 110.70 2jbr s GLY 197 Ca 0.10 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.86 2jbr s GLY 197 CO -0.01 -0.46 0.18 0.14 0.00 0.00 0.00 173.10 172.96 2jbr s VAL 198 N 0.01 5.31 0.06 1.40 1.01 -0.61 -0.94 120.40 126.64 2jbr s VAL 198 Ca -0.05 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2jbr s VAL 198 Cb -0.13 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2jbr s VAL 198 CO 0.03 0.28 -0.20 0.27 0.00 0.00 0.00 175.10 175.48 2jbr s ILE 199 N 1.57 1.64 0.59 2.22 -4.36 -0.52 -4.91 121.20 117.42 2jbr s ILE 199 Ca 0.07 -1.26 -0.15 0.00 -0.26 0.00 0.00 60.65 59.06 2jbr s ILE 199 Cb -0.15 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 2jbr s ILE 199 CO 0.09 0.14 1.03 -2.16 0.24 0.00 0.00 174.94 174.28 2jbr s PRO 200 N -1.32 3.46 0.47 0.37 0.04 -1.26 -1.13 135.00 135.63 2jbr s PRO 200 Ca 0.07 1.05 0.28 0.00 0.04 0.00 0.00 61.00 62.43 2jbr s PRO 200 Cb -0.09 -2.06 1.34 0.00 0.04 0.00 0.00 34.50 33.73 2jbr s PRO 200 CO 0.02 -0.68 1.78 -0.09 0.04 0.00 0.00 177.00 178.06 2jbr h ARG 201 N 0.30 0.18 0.00 4.56 9.65 -1.39 0.21 114.38 127.89 2jbr h ARG 201 Ca -0.46 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2jbr h ARG 201 Cb 1.21 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2jbr h ARG 201 CO 0.59 0.12 0.00 0.66 2.80 0.00 0.00 179.97 184.14 2jbr h SER 202 N 0.19 0.00 0.17 -3.80 4.64 -1.92 -3.13 113.55 109.69 2jbr h SER 202 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2jbr h SER 202 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2jbr h SER 202 CO -0.17 0.00 -0.21 0.47 -0.87 0.00 0.00 176.83 176.05 2jbr n ASP 203 N -2.37 1.20 -3.96 4.97 8.00 0.06 -4.94 116.55 119.52 2jbr n ASP 203 Ca 0.02 -1.06 -0.08 0.00 0.71 0.00 0.00 54.79 54.37 2jbr n ASP 203 Cb 0.23 0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.37 2jbr n ASP 203 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2jbr s TYR 204 N -2.39 0.30 -0.15 1.24 -0.85 -1.19 -4.59 117.35 109.72 2jbr s TYR 204 Ca 0.27 -0.74 -0.06 0.00 -0.52 0.00 0.00 57.07 56.02 2jbr s TYR 204 Cb 0.20 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 2jbr s TYR 204 CO 0.48 -0.43 0.05 -2.00 -1.52 0.00 0.00 175.55 172.13 2jbr s GLU 205 N -3.54 3.65 -0.44 -3.49 2.12 -0.80 -4.92 118.70 111.28 2jbr s GLU 205 Ca 0.03 -0.34 -0.24 0.00 0.36 0.00 0.00 54.97 54.78 2jbr s GLU 205 Cb 0.04 -3.09 0.02 0.00 0.26 0.00 0.00 34.13 31.37 2jbr s GLU 205 CO -0.09 0.44 0.84 0.42 -0.54 0.00 0.00 175.26 176.33 2jbr s ILE 206 N -0.11 4.59 -0.22 -3.70 1.01 -1.26 -0.03 121.20 121.48 2jbr s ILE 206 Ca 0.06 0.64 -0.18 0.00 0.00 0.00 0.00 60.65 61.18 2jbr s ILE 206 Cb -0.12 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 2jbr s ILE 206 CO 0.01 -0.72 0.48 -0.69 0.00 0.00 0.00 174.94 174.03 2jbr s VAL 207 N 3.44 5.12 -1.04 2.92 1.01 0.24 -4.97 120.40 127.13 2jbr s VAL 207 Ca 0.33 0.86 -0.19 0.00 0.00 0.00 0.00 61.98 62.98 2jbr s VAL 207 Cb -0.11 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.57 2jbr s VAL 207 CO 0.23 0.17 1.33 -0.62 0.00 0.00 0.00 175.10 176.21 2jbr s ASP 208 N 1.24 6.70 -0.11 3.32 -1.08 -1.26 -1.93 116.67 123.55 2jbr s ASP 208 Ca 0.22 -2.10 0.14 0.00 -0.52 0.00 0.00 52.55 50.28 2jbr s ASP 208 Cb -0.15 -2.46 0.34 0.00 -1.46 0.00 0.00 42.92 39.18 2jbr s ASP 208 CO 0.09 -1.13 1.25 -0.46 0.52 0.00 0.00 175.17 175.44 2jbr n ASN 209 N 7.16 2.96 -4.55 -0.34 6.94 -1.26 -4.96 115.26 121.21 2jbr n ASN 209 Ca 0.31 -2.71 -0.42 0.00 -0.02 0.00 0.00 54.58 51.74 2jbr n ASN 209 Cb 0.48 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.51 2jbr n ASN 209 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 2jbr s TRP 210 N -2.25 2.73 -0.43 -2.53 -0.00 -1.26 -4.88 118.94 110.32 2jbr s TRP 210 Ca 0.29 -1.22 0.02 0.00 -0.00 0.00 0.00 56.10 55.19 2jbr s TRP 210 Cb 0.23 -4.65 0.12 0.00 -0.00 0.00 0.00 33.47 29.18 2jbr s TRP 210 CO 0.07 -1.82 0.20 0.71 -0.00 0.00 0.00 176.95 176.11 2jbr s TYR 211 N 4.30 2.41 0.33 5.86 2.02 -1.26 -4.99 117.35 126.02 2jbr s TYR 211 Ca 0.47 -2.56 0.05 0.00 -0.37 0.00 0.00 57.07 54.66 2jbr s TYR 211 Cb 0.01 -2.19 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 2jbr s TYR 211 CO -0.04 -0.81 0.03 0.00 -1.57 0.00 0.00 175.55 173.17 2jbr s ALA 212 N 0.46 2.45 -1.49 3.71 0.00 -1.26 -5.06 121.76 120.56 2jbr s ALA 212 Ca 0.16 -2.06 0.17 0.00 0.00 0.00 0.00 51.96 50.22 2jbr s ALA 212 Cb -0.23 0.52 0.47 0.00 0.00 0.00 0.00 23.12 23.88 2jbr s ALA 212 CO -0.04 -0.25 1.39 1.04 0.00 0.00 0.00 175.76 177.90 2jbr n GLN 213 N -0.70 2.75 -3.62 0.00 1.13 -1.26 -4.84 117.38 110.84 2jbr n GLN 213 Ca -0.03 -2.34 -0.10 0.00 -1.94 0.00 0.00 57.00 52.59 2jbr n GLN 213 Cb 0.66 -1.42 -0.03 0.00 0.11 0.00 0.00 30.24 29.56 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 -1.02 -1.19 -1.03 -1.58 0.00 -1.26 -4.76 121.76 110.92 2jbr s ALA 214 Ca 0.36 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 2jbr s ALA 214 Cb 0.19 0.84 0.04 0.00 0.00 0.00 0.00 23.12 24.19 2jbr s ALA 214 CO 0.25 -0.79 0.10 0.44 0.00 0.00 0.00 175.76 175.76 2jbr n ILE 215 N -0.35 -0.45 -0.37 0.00 -5.35 -1.26 -4.78 119.36 106.80 2jbr n ILE 215 Ca -0.13 -0.23 0.01 0.00 -0.27 0.00 0.00 62.75 62.14 2jbr n ILE 215 Cb 0.63 -0.54 0.15 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 -0.69 1.17 0.00 6.28 1.57 -1.89 -1.36 116.57 121.66 2jbr h LYS 216 Ca -0.40 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2jbr h LYS 216 Cb 0.88 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2jbr h LYS 216 CO 0.48 0.78 0.00 -1.13 -0.57 0.00 0.00 179.45 179.00 2jbr n SER 217 N -4.48 0.00 0.23 0.86 3.41 -1.26 -3.10 113.62 109.28 2jbr n SER 217 Ca 0.14 -0.77 0.11 0.00 -0.26 0.00 0.00 58.87 58.10 2jbr n SER 217 Cb 0.14 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.53 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 -5.72 4.04 4.64 -1.35 -0.69 113.55 114.46 2jbr h SER 218 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2jbr h SER 218 Cb 0.00 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.24 2jbr h SER 218 CO 0.00 0.16 -0.78 0.61 -0.87 0.00 0.00 176.83 175.96 2jbr n GLY 219 N 0.33 -0.36 2.33 -0.77 0.00 -1.18 -0.86 105.19 104.69 2jbr n GLY 219 Ca 0.01 0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2jbr n GLY 219 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jbr n SER 220 N -3.11 8.28 -4.48 1.61 7.64 -1.26 -3.58 113.62 118.71 2jbr n SER 220 Ca -0.28 -2.73 -0.29 0.00 1.01 0.00 0.00 58.87 56.58 2jbr n SER 220 Cb 0.67 -1.49 0.15 0.00 -1.01 0.00 0.00 64.21 62.53 2jbr n SER 220 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jbr s LYS 221 N 1.13 1.00 0.04 1.43 1.02 -1.24 -3.54 119.74 119.59 2jbr s LYS 221 Ca 0.65 -0.08 -0.07 0.00 0.02 0.00 0.00 55.97 56.50 2jbr s LYS 221 Cb 0.20 -1.86 -0.05 0.00 -0.52 0.00 0.00 37.83 35.60 2jbr s LYS 221 CO -0.07 -2.22 0.30 1.41 -0.92 0.00 0.00 175.35 173.85 2jbr s MET 222 N -5.64 3.61 -0.26 1.68 -2.45 -0.81 -1.01 119.30 114.43 2jbr s MET 222 Ca 0.68 -0.04 -0.09 0.00 -1.25 0.00 0.00 55.69 54.99 2jbr s MET 222 Cb -0.09 -3.04 -0.04 0.00 1.25 0.00 0.00 34.83 32.92 2jbr s MET 222 CO 0.52 0.61 0.11 -0.51 1.05 0.00 0.00 175.02 176.80 2jbr s LEU 223 N -1.91 3.66 -0.29 4.11 1.43 0.67 -0.59 118.68 125.76 2jbr s LEU 223 Ca 0.30 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 2jbr s LEU 223 Cb -0.13 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2jbr s LEU 223 CO 0.18 -0.03 0.32 -0.75 0.23 0.00 0.00 176.35 176.30 2jbr s LYS 224 N 1.59 3.88 -0.27 1.70 2.20 0.96 0.22 119.74 130.02 2jbr s LYS 224 Ca 0.06 -0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.44 2jbr s LYS 224 Cb -0.15 -3.70 0.01 0.00 -1.51 0.00 0.00 37.83 32.48 2jbr s LYS 224 CO 0.06 -0.31 0.02 -0.51 -0.36 0.00 0.00 175.35 174.25 2jbr s LEU 225 N 1.96 3.52 -0.27 5.43 1.02 -0.22 -1.90 118.68 128.23 2jbr s LEU 225 Ca 0.12 -0.72 -0.01 0.00 0.02 0.00 0.00 54.13 53.53 2jbr s LEU 225 Cb -0.16 -1.79 0.04 0.00 0.02 0.00 0.00 46.19 44.30 2jbr s LEU 225 CO 0.11 -0.15 -0.04 -0.69 0.02 0.00 0.00 176.35 175.60 2jbr s VAL 226 N 1.44 2.86 -1.34 -1.59 1.01 -1.26 -1.59 120.40 119.94 2jbr s VAL 226 Ca 0.02 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 2jbr s VAL 226 Cb -0.17 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2jbr s VAL 226 CO -0.00 0.04 0.45 0.59 0.00 0.00 0.00 175.10 176.17 2jbr n ASN 227 N 4.63 -2.15 -4.65 3.32 5.03 -1.21 -4.89 115.26 115.34 2jbr n ASN 227 Ca -0.15 -1.22 -0.42 0.00 0.87 0.00 0.00 54.58 53.66 2jbr n ASN 227 Cb 0.45 -2.05 -0.04 0.00 -1.02 0.00 0.00 39.78 37.12 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 -3.85 4.83 -0.16 2.41 1.01 -0.43 -4.81 120.40 119.39 2jbr s VAL 228 Ca 0.27 1.60 -0.25 0.00 0.00 0.00 0.00 61.98 63.61 2jbr s VAL 228 Cb -0.14 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2jbr s VAL 228 CO 0.96 -0.07 0.80 0.12 0.00 0.00 0.00 175.10 176.91 2jbr s PHE 229 N 2.81 3.43 -0.25 5.22 2.19 -1.26 -0.28 117.98 129.83 2jbr s PHE 229 Ca 0.36 1.22 -0.02 0.00 0.33 0.00 0.00 56.93 58.83 2jbr s PHE 229 Cb -0.15 -2.98 0.03 0.00 -1.31 0.00 0.00 43.02 38.61 2jbr s PHE 229 CO 0.08 -0.21 -0.06 0.42 1.83 0.00 0.00 175.22 177.28 2jbr s ILE 230 N 2.02 2.88 0.52 3.12 1.01 -0.26 -5.00 121.20 125.49 2jbr s ILE 230 Ca 0.37 -1.07 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 2jbr s ILE 230 Cb -0.17 -2.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.76 2jbr s ILE 230 CO 0.13 0.16 1.14 -2.16 0.00 0.00 0.00 174.94 174.21 2jbr s PRO 231 N 1.31 3.49 0.37 2.79 0.04 -1.26 -1.41 135.00 140.33 2jbr s PRO 231 Ca -0.01 1.66 0.15 0.00 0.04 0.00 0.00 61.00 62.84 2jbr s PRO 231 Cb -0.17 -2.13 1.02 0.00 0.04 0.00 0.00 34.50 33.26 2jbr s PRO 231 CO -0.04 -0.75 1.76 1.49 0.04 0.00 0.00 177.00 179.50 2jbr h GLU 232 N 1.46 0.46 0.00 4.56 4.57 -1.57 0.15 114.58 124.22 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 1.26 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2jbr h GLU 232 CO 0.58 0.30 0.00 2.48 -1.18 0.00 0.00 179.01 181.19 2jbr n TYR 233 N -4.71 0.00 -0.55 0.92 0.18 -1.26 -1.88 117.16 109.86 2jbr n TYR 233 Ca 0.26 0.00 0.07 0.00 1.88 0.00 0.00 57.90 60.11 2jbr n TYR 233 Cb 0.82 -0.40 0.22 0.00 -0.38 0.00 0.00 39.34 39.60 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 -1.40 3.02 -4.94 -3.48 1.74 0.04 -4.47 116.66 107.17 2jbr n ARG 234 Ca 0.06 -2.47 -0.32 0.00 -0.77 0.00 0.00 57.85 54.34 2jbr n ARG 234 Cb 0.16 -1.58 -0.17 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.82 2.07 0.04 0.55 1.01 -0.79 -1.57 121.20 120.69 2jbr s ILE 235 Ca 0.34 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 60.07 2jbr s ILE 235 Cb 0.23 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 2jbr s ILE 235 CO 0.14 0.55 -0.20 -0.44 0.00 0.00 0.00 174.94 175.00 2jbr s SER 236 N 0.58 2.34 0.16 3.58 0.01 -0.31 -4.97 113.70 115.10 2jbr s SER 236 Ca -0.13 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 2jbr s SER 236 Cb -0.17 -0.20 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 2jbr s SER 236 CO 0.03 0.15 1.10 -0.54 0.41 0.00 0.00 173.24 174.40 2jbr s LYS 237 N -1.08 4.59 0.17 12.44 1.02 -1.26 -0.09 119.74 135.52 2jbr s LYS 237 Ca 0.07 1.71 -0.15 0.00 0.02 0.00 0.00 55.97 57.62 2jbr s LYS 237 Cb -0.08 -3.29 0.07 0.00 -0.52 0.00 0.00 37.83 34.01 2jbr s LYS 237 CO 0.01 0.06 1.80 0.00 -0.92 0.00 0.00 175.35 176.30 2jbr h ALA 238 N 5.26 0.58 -0.73 5.17 0.00 -1.47 -2.56 119.26 125.53 2jbr h ALA 238 Ca -0.44 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2jbr h ALA 238 Cb 1.21 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2jbr h ALA 238 CO 0.73 -0.05 0.48 -0.22 0.00 0.00 0.00 179.25 180.19 2jbr h LYS 239 N 0.53 0.95 -0.63 0.00 3.64 -1.93 -1.43 116.57 117.70 2jbr h LYS 239 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2jbr h LYS 239 Cb 0.03 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2jbr h LYS 239 CO -0.09 0.63 0.33 -0.44 -2.27 0.00 0.00 179.45 177.61 2jbr h ASP 240 N 0.98 0.78 0.72 4.20 3.32 -1.82 -1.67 116.42 122.93 2jbr h ASP 240 Ca 0.27 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2jbr h ASP 240 Cb -0.11 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.24 2jbr h ASP 240 CO -0.06 0.63 -0.21 0.23 -1.72 0.00 0.00 179.24 178.11 2jbr n MET 241 N -4.37 0.08 0.05 3.56 2.81 -0.70 -0.40 117.12 118.14 2jbr n MET 241 Ca 0.06 -0.03 -0.01 0.00 -1.81 0.00 0.00 57.70 55.91 2jbr n MET 241 Cb 0.11 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.04 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 0.07 0.00 -0.04 0.03 2.86 -0.75 -0.51 114.93 116.59 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 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2jbr h MET 242 CO 0.00 0.39 0.00 0.39 1.06 0.00 0.00 176.91 178.75 2jbr n GLU 243 N -2.99 2.67 -3.15 1.72 1.02 -0.68 -4.11 120.64 115.12 2jbr n GLU 243 Ca -0.08 -1.49 -0.14 0.00 -0.02 0.00 0.00 57.16 55.43 2jbr n GLU 243 Cb 0.85 -1.03 0.07 0.00 -0.02 0.00 0.00 31.44 31.30 2jbr n GLU 243 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jbr n GLY 244 N -0.33 -0.18 0.00 0.62 0.00 -0.79 -4.95 105.19 99.56 2jbr n GLY 244 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.52 0.75 -1.82 1.61 5.02 0.46 -4.93 118.16 115.73 2jbr n LYS 245 Ca -0.17 -0.71 -0.29 0.00 -2.02 0.00 0.00 58.31 55.12 2jbr n LYS 245 Cb 0.61 -0.74 0.12 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.31 3.93 0.48 4.39 1.04 -1.13 -4.92 113.70 117.18 2jbr s SER 246 Ca 0.00 0.69 0.13 0.00 0.48 0.00 0.00 55.95 57.26 2jbr s SER 246 Cb 0.00 -1.09 1.11 0.00 0.10 0.00 0.00 66.02 66.14 2jbr s SER 246 CO 0.00 -2.26 2.10 0.00 0.98 0.00 0.00 173.24 174.06 2jbr h ALA 247 N -1.30 1.87 -0.01 5.32 0.00 -1.86 -2.46 119.26 120.81 2jbr h ALA 247 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jbr h ALA 247 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jbr h ALA 247 CO 0.58 0.11 -0.02 0.41 0.00 0.00 0.00 179.25 180.34 2jbr n GLY 248 N -1.42 -0.13 3.74 0.00 0.00 -0.31 -4.65 105.19 102.43 2jbr n GLY 248 Ca -0.01 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.04 2.78 0.00 1.61 5.36 -0.93 -2.60 117.98 122.16 2jbr s PHE 249 Ca 0.38 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 2jbr s PHE 249 Cb 0.21 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 2jbr s PHE 249 CO 0.35 -3.82 0.00 0.41 -1.46 0.00 0.00 175.22 170.70 2jbr n GLY 250 N 2.65 0.85 0.23 13.12 0.00 -1.26 -4.92 105.19 115.85 2jbr n GLY 250 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 2jbr n GLY 250 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jbr h LEU 251 N 0.00 0.38 -6.94 0.99 3.38 -1.86 -3.37 115.31 107.89 2jbr h LEU 251 Ca 0.00 -0.13 -0.61 0.00 0.09 0.00 0.00 57.88 57.23 2jbr h LEU 251 Cb 0.00 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 40.24 2jbr h LEU 251 CO 0.00 0.66 -0.67 -0.31 0.09 0.00 0.00 178.44 178.21 2jbr s TYR 252 N -4.43 2.98 -0.16 1.13 2.02 -1.26 -4.97 117.35 112.66 2jbr s TYR 252 Ca -0.06 -3.09 0.29 0.00 -0.37 0.00 0.00 57.07 53.84 2jbr s TYR 252 Cb 0.14 -2.30 1.23 0.00 -0.40 0.00 0.00 41.96 40.63 2jbr s TYR 252 CO 0.78 -0.62 1.86 -1.35 -1.57 0.00 0.00 175.55 174.65 2jbr h PRO 253 N 5.53 0.00 -0.02 -1.71 0.11 -2.01 -1.70 132.00 132.21 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 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2jbr h PRO 253 CO 0.64 0.00 -0.20 -0.25 -0.21 0.00 0.00 178.00 177.98 2jbr n ASP 254 N -2.65 1.97 -4.73 -2.05 8.00 -1.26 -4.98 116.55 110.84 2jbr n ASP 254 Ca 0.01 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.58 2jbr n ASP 254 Cb 0.25 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 2jbr n ASP 254 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jbr s SER 255 N -2.25 6.80 0.00 -2.24 0.15 -0.64 -4.93 113.70 110.60 2jbr s SER 255 Ca 0.26 2.47 0.26 0.00 0.70 0.00 0.00 55.95 59.65 2jbr s SER 255 Cb 0.19 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.77 2jbr s SER 255 CO 0.44 -0.61 1.64 0.29 1.20 0.00 0.00 173.24 176.20 2jbr n LYS 256 N 2.84 1.79 0.00 5.44 5.02 -1.26 -4.47 118.16 127.51 2jbr n LYS 256 Ca 0.08 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.21 2jbr n LYS 256 Cb 0.42 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2jbr n LYS 256 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2jbr n ILE 257 N 0.40 0.00 0.48 -0.18 -5.35 -1.26 -3.10 119.36 110.35 2jbr n ILE 257 Ca 0.18 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.78 2jbr n ILE 257 Cb 0.39 0.11 0.15 0.00 -1.74 0.00 0.00 39.64 38.55 2jbr n ILE 257 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2jbr h PHE 258 N 0.00 0.00 -1.59 4.28 0.04 -1.88 -3.38 116.94 114.40 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 0.15 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.14 2jbr h PHE 258 CO 0.00 0.00 1.85 0.66 -0.60 0.00 0.00 178.31 180.22 2jbr n TYR 259 N -2.25 3.29 -3.55 -0.55 4.01 -1.26 -4.87 117.16 111.98 2jbr n TYR 259 Ca 0.03 -2.89 -0.10 0.00 -0.16 0.00 0.00 57.90 54.78 2jbr n TYR 259 Cb 0.46 -1.96 -0.04 0.00 -0.31 0.00 0.00 39.34 37.49 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 0.46 0.00 0.34 -0.72 -1.32 -1.26 -4.15 115.64 108.99 2jbr s THR 260 Ca 0.40 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.59 2jbr s THR 260 Cb 0.07 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.94 2jbr s THR 260 CO 0.01 0.00 1.40 -2.65 -2.21 0.00 0.00 174.62 171.17 2jbr n PRO 261 N 0.31 2.37 -0.15 7.08 -0.02 -1.26 -4.83 135.00 138.50 2jbr n PRO 261 Ca -0.10 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.12 2jbr n PRO 261 Cb 0.59 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2jbr n PRO 261 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2jbr h TYR 262 N 3.11 0.82 -0.57 6.00 -0.00 -1.37 -3.37 116.97 121.59 2jbr h TYR 262 Ca -0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 58.73 58.10 2jbr h TYR 262 Cb 1.26 -0.22 -0.03 0.00 0.00 0.00 0.00 36.73 37.75 2jbr h TYR 262 CO 0.53 0.80 0.27 -0.09 -0.00 0.00 0.00 178.16 179.67 2jbr h ARG 263 N 0.61 0.83 -0.24 0.10 2.43 -1.92 -1.19 114.38 115.00 2jbr h ARG 263 Ca 0.13 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2jbr h ARG 263 Cb 0.46 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2jbr h ARG 263 CO 0.02 0.68 0.16 -1.35 -1.51 0.00 0.00 179.97 177.97 2jbr h PRO 264 N 0.78 0.17 0.04 0.20 0.11 -1.96 -0.99 132.00 130.36 2jbr h PRO 264 Ca 0.20 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.16 2jbr h PRO 264 Cb 0.13 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.22 2jbr h PRO 264 CO -0.02 0.11 -0.55 1.88 -0.21 0.00 0.00 178.00 179.21 2jbr h TYR 265 N 0.18 0.47 -0.65 0.65 -1.99 -1.57 -2.97 116.97 111.09 2jbr h TYR 265 Ca 0.10 -0.29 0.13 0.00 2.00 0.00 0.00 58.73 60.67 2jbr h TYR 265 Cb 0.18 -0.04 -0.12 0.00 2.00 0.00 0.00 36.73 38.75 2jbr h TYR 265 CO -0.00 1.14 -0.14 0.35 -0.00 0.00 0.00 178.16 179.51 2jbr h PHE 266 N -0.34 -0.31 -0.55 4.88 3.57 -0.88 -2.76 116.94 120.55 2jbr h PHE 266 Ca -0.08 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jbr h PHE 266 Cb 1.33 0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.31 2jbr h PHE 266 CO 0.18 -0.27 0.00 0.00 -2.23 0.00 0.00 178.31 175.99 2jbr n ALA 267 N -3.06 2.41 0.29 2.41 0.00 -0.41 -4.42 120.51 117.74 2jbr n ALA 267 Ca 0.08 -1.08 0.18 0.00 0.00 0.00 0.00 53.44 52.63 2jbr n ALA 267 Cb 0.34 -0.93 0.80 0.00 0.00 0.00 0.00 19.45 19.66 2jbr n ALA 267 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jbr h SER 268 N 3.98 0.00 1.69 0.00 4.64 -1.31 -3.19 113.55 119.35 2jbr h SER 268 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2jbr h SER 268 Cb 0.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2jbr h SER 268 CO 0.00 0.00 -0.31 1.23 -0.87 0.00 0.00 176.83 176.88 2jbr h GLY 269 N 1.59 0.00 0.98 -0.77 0.00 -1.80 -3.24 103.07 99.83 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 -0.03 0.74 0.00 0.00 0.00 176.54 177.25 2jbr h PHE 270 N 0.00 -0.07 -0.03 5.60 0.04 -1.90 -0.52 116.94 120.06 2jbr h PHE 270 Ca -0.01 -0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.59 2jbr h PHE 270 Cb 1.22 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.38 2jbr h PHE 270 CO 0.00 -0.03 -0.74 0.66 -0.60 0.00 0.00 178.31 177.60 2jbr h SER 271 N -0.10 0.27 -0.38 2.17 4.64 -1.80 -2.47 113.55 115.89 2jbr h SER 271 Ca -0.01 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.15 2jbr h SER 271 Cb 0.08 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 2jbr h SER 271 CO 0.01 0.92 0.20 0.00 -0.87 0.00 0.00 176.83 177.09 2jbr h ALA 272 N 1.07 0.48 -0.58 5.18 0.00 -1.55 0.32 119.26 124.18 2jbr h ALA 272 Ca -0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jbr h ALA 272 Cb 1.31 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2jbr h ALA 272 CO 0.11 -0.15 0.35 0.28 0.00 0.00 0.00 179.25 179.84 2jbr h VAL 273 N 0.41 1.06 -0.42 0.00 2.07 -1.03 -1.71 116.25 116.64 2jbr h VAL 273 Ca 0.16 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2jbr h VAL 273 Cb 0.05 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2jbr h VAL 273 CO -0.10 0.13 0.26 -1.28 0.02 0.00 0.00 177.57 176.60 2jbr h SER 274 N 0.69 0.44 -0.72 0.57 0.87 -1.10 -0.89 113.55 113.42 2jbr h SER 274 Ca 0.23 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2jbr h SER 274 Cb 0.02 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2jbr h SER 274 CO -0.10 0.32 0.36 0.25 -0.53 0.00 0.00 176.83 177.13 2jbr h LEU 275 N 0.53 0.93 -0.62 2.23 5.85 -0.72 -1.65 115.31 121.86 2jbr h LEU 275 Ca 0.16 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2jbr h LEU 275 Cb -0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2jbr h LEU 275 CO -0.06 0.79 -0.22 1.23 -0.34 0.00 0.00 178.44 179.85 2jbr h GLY 276 N 1.01 0.93 0.95 3.75 0.00 -0.92 -0.40 103.07 108.38 2jbr h GLY 276 Ca 0.25 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2jbr h GLY 276 CO -0.03 0.73 0.11 -2.22 0.00 0.00 0.00 176.54 175.13 2jbr h ILE 277 N 0.75 1.11 -0.49 2.60 2.04 -1.05 -1.84 117.51 120.62 2jbr h ILE 277 Ca 0.10 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2jbr h ILE 277 Cb 0.75 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2jbr h ILE 277 CO 0.06 0.10 0.12 0.00 0.00 0.00 0.00 178.15 178.43 2jbr h ALA 278 N 1.00 0.65 -0.44 1.87 0.00 -1.06 0.22 119.26 121.50 2jbr h ALA 278 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2jbr h ALA 278 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2jbr h ALA 278 CO -0.01 0.34 -0.04 0.93 0.00 0.00 0.00 179.25 180.47 2jbr h GLU 279 N 0.67 0.74 -0.37 0.00 5.08 -1.10 -2.33 114.58 117.28 2jbr h GLU 279 Ca 0.15 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2jbr h GLU 279 Cb 0.34 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2jbr h GLU 279 CO 0.00 0.78 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.51 2jbr h ARG 280 N 0.69 0.78 -0.87 2.33 9.65 -1.00 -2.99 114.38 122.96 2jbr h ARG 280 Ca 0.13 -0.35 0.11 0.00 -1.10 0.00 0.00 59.98 58.77 2jbr h ARG 280 Cb 0.48 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.96 2jbr h ARG 280 CO 0.02 0.97 0.50 1.98 2.80 0.00 0.00 179.97 186.25 2jbr h MET 281 N 0.58 0.79 -0.14 0.20 4.05 -0.35 0.35 114.93 120.40 2jbr h MET 281 Ca 0.08 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2jbr h MET 281 Cb 0.74 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2jbr h MET 281 CO 0.06 0.52 0.08 0.82 0.23 0.00 0.00 176.91 178.62 2jbr h ILE 282 N 0.81 1.09 -0.18 1.77 2.04 -1.41 0.51 117.51 122.14 2jbr h ILE 282 Ca 0.43 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2jbr h ILE 282 Cb 0.44 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2jbr h ILE 282 CO -0.27 0.08 0.08 -0.33 0.00 0.00 0.00 178.15 177.72 2jbr h GLU 283 N 0.14 0.27 -0.87 2.37 4.39 -1.17 -1.01 114.58 118.70 2jbr h GLU 283 Ca 0.05 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2jbr h GLU 283 Cb 0.06 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 2jbr h GLU 283 CO -0.01 0.31 0.50 0.00 -1.16 0.00 0.00 179.01 178.65 2jbr h ALA 284 N 0.94 1.11 -0.48 3.43 0.00 -0.27 -1.37 119.26 122.62 2jbr h ALA 284 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2jbr h ALA 284 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2jbr h ALA 284 CO -0.01 0.60 -0.10 0.35 0.00 0.00 0.00 179.25 180.09 2jbr h PHE 285 N 1.21 1.03 -0.96 0.00 3.57 -0.75 -2.26 116.94 118.77 2jbr h PHE 285 Ca 0.31 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2jbr h PHE 285 Cb -0.01 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 2jbr h PHE 285 CO 0.00 1.00 0.62 0.87 -2.23 0.00 0.00 178.31 178.57 2jbr h LYS 286 N 0.77 1.28 -0.21 1.11 1.57 -0.90 -0.83 116.57 119.36 2jbr h LYS 286 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2jbr h LYS 286 Cb 0.66 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2jbr h LYS 286 CO 0.05 0.86 0.08 0.93 -0.57 0.00 0.00 179.45 180.80 2jbr h GLU 287 N 1.31 0.32 -0.06 3.15 5.08 -1.07 -2.98 114.58 120.33 2jbr h GLU 287 Ca 0.35 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 2jbr h GLU 287 Cb -0.12 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2jbr h GLU 287 CO -0.07 0.39 -0.42 0.87 -1.00 0.00 0.00 179.01 178.78 2jbr h LYS 288 N 0.18 0.14 -0.25 2.33 6.56 -1.28 -3.29 116.57 120.97 2jbr h LYS 288 Ca 0.07 -0.06 -0.16 0.00 -1.06 0.00 0.00 60.65 59.44 2jbr h LYS 288 Cb 0.20 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2jbr h LYS 288 CO -0.00 0.54 -0.49 0.37 -2.06 0.00 0.00 179.45 177.80 2jbr h GLN 289 N 0.12 0.67 -0.86 3.15 5.75 -1.01 -3.31 115.11 119.62 2jbr h GLN 289 Ca 0.01 -0.39 0.21 0.00 -0.15 0.00 0.00 58.65 58.33 2jbr h GLN 289 Cb 0.79 0.03 -0.15 0.00 1.07 0.00 0.00 27.48 29.22 2jbr h GLN 289 CO 0.06 1.01 -0.00 0.00 -2.65 0.00 0.00 178.83 177.24 2jbr h ARG 290 N 0.53 0.07 -0.57 1.69 3.08 -1.59 -1.80 114.38 115.78 2jbr h ARG 290 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2jbr h ARG 290 Cb 1.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2jbr h ARG 290 CO 0.10 0.04 0.00 0.27 -1.07 0.00 0.00 179.97 179.31 2jbr n ASN 291 N -5.41 3.55 -4.68 7.04 0.23 -1.25 -4.51 115.26 110.23 2jbr n ASN 291 Ca 0.17 -2.02 -0.44 0.00 -0.53 0.00 0.00 54.58 51.76 2jbr n ASN 291 Cb 0.57 -0.38 -0.04 0.00 -2.08 0.00 0.00 39.78 37.85 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 1.15 2.60 -4.97 -3.83 3.00 -0.68 -4.90 116.66 109.03 2jbr n ARG 292 Ca 0.19 0.95 -0.31 0.00 -0.00 0.00 0.00 57.85 58.68 2jbr n ARG 292 Cb 0.55 -2.83 -0.15 0.00 0.00 0.00 0.00 32.46 30.04 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 3.02 2.32 0.20 5.15 -7.23 -1.26 -0.57 120.40 122.03 2jbr s VAL 293 Ca 0.85 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 2jbr s VAL 293 Cb -0.54 -1.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 2jbr s VAL 293 CO 0.41 0.44 1.32 -0.13 -0.31 0.00 0.00 175.10 176.83 2jbr s ARG 294 N -1.05 4.38 0.10 4.82 1.81 -0.69 -4.94 118.95 123.36 2jbr s ARG 294 Ca 0.12 2.08 -0.16 0.00 -1.72 0.00 0.00 55.73 56.05 2jbr s ARG 294 Cb -0.10 -3.18 -0.08 0.00 -0.45 0.00 0.00 34.95 31.14 2jbr s ARG 294 CO 0.02 -0.27 1.45 0.00 -0.68 0.00 0.00 175.30 175.82 2jbr h ALA 295 N 5.33 0.42 0.00 2.13 0.00 -1.97 -0.82 119.26 124.35 2jbr h ALA 295 Ca -0.45 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 53.96 2jbr h ALA 295 Cb 1.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2jbr h ALA 295 CO 0.77 0.35 -0.72 1.88 0.00 0.00 0.00 179.25 181.53 2jbr h TYR 296 N 0.40 0.00 0.00 0.00 0.05 -2.00 -3.37 116.97 112.05 2jbr h TYR 296 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2jbr h TYR 296 Cb 0.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2jbr h TYR 296 CO 0.06 0.72 -0.94 0.25 -1.05 0.00 0.00 178.16 177.21 2jbr n THR 297 N -3.63 0.00 -1.20 -2.88 -2.24 -1.25 -5.03 114.28 98.05 2jbr n THR 297 Ca -0.01 -0.11 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 2jbr n THR 297 Cb 0.71 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 2jbr n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jbr n GLY 298 N 2.17 0.89 3.81 3.38 0.00 -0.31 -5.00 105.19 110.13 2jbr n GLY 298 Ca -0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.14 3.61 0.02 4.61 0.00 -1.26 -4.80 121.76 121.80 2jbr s ALA 299 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 2jbr s ALA 299 Cb 0.00 -2.57 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 2jbr s ALA 299 CO 0.00 0.40 1.54 1.21 0.00 0.00 0.00 175.76 178.91 2jbr s ASN 300 N -1.01 6.72 0.00 0.00 3.84 -1.26 -1.71 114.94 121.52 2jbr s ASN 300 Ca 0.27 2.28 0.00 0.00 0.21 0.00 0.00 52.86 55.62 2jbr s ASN 300 Cb -0.18 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.96 2jbr s ASN 300 CO 0.17 -0.82 0.13 0.52 -2.79 0.00 0.00 177.10 174.31 2jbr n VAL 301 N 4.82 0.00 -0.23 -5.21 0.31 0.26 -4.84 118.33 113.44 2jbr n VAL 301 Ca 0.15 -0.14 0.12 0.00 -0.01 0.00 0.00 64.34 64.47 2jbr n VAL 301 Cb 0.42 1.70 0.41 0.00 -0.91 0.00 0.00 33.84 35.46 2jbr n VAL 301 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2jbr h GLY 302 N 0.00 1.04 -3.44 2.92 0.00 -1.59 -2.14 103.07 99.87 2jbr h GLY 302 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 47.33 46.79 2jbr h GLY 302 CO 0.00 0.09 0.31 1.04 0.00 0.00 0.00 176.54 177.99 2jbr n LEU 303 N -4.53 5.91 -4.78 3.11 4.77 -1.26 -4.68 117.00 115.54 2jbr n LEU 303 Ca 0.16 -3.37 -0.35 0.00 -0.03 0.00 0.00 56.01 52.42 2jbr n LEU 303 Cb 0.47 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2jbr n LEU 303 CO 0.31 0.91 0.78 0.00 -1.33 0.00 0.00 177.39 178.06 2jbr s ALA 304 N -3.09 2.70 0.15 -1.18 0.00 -0.81 -4.87 121.76 114.67 2jbr s ALA 304 Ca 0.54 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 53.12 2jbr s ALA 304 Cb 0.44 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 20.26 2jbr s ALA 304 CO 0.11 -0.76 1.68 1.15 0.00 0.00 0.00 175.76 177.95 2jbr h THR 305 N 1.17 0.68 -1.00 0.00 2.02 -1.94 -2.31 112.91 111.55 2jbr h THR 305 Ca -0.50 -0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.77 2jbr h THR 305 Cb 1.26 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.26 2jbr h THR 305 CO 0.57 0.00 0.64 -0.65 0.37 0.00 0.00 175.52 176.45 2jbr h PRO 306 N 0.01 1.05 -0.35 6.66 0.11 -1.98 -1.53 132.00 135.98 2jbr h PRO 306 Ca 0.16 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 2jbr h PRO 306 Cb 0.24 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2jbr h PRO 306 CO -0.33 0.69 -0.36 0.00 -0.21 0.00 0.00 178.00 177.80 2jbr h ALA 307 N 1.50 0.72 -0.82 -0.75 0.00 -1.83 -2.38 119.26 115.69 2jbr h ALA 307 Ca 0.46 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jbr h ALA 307 Cb 0.32 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2jbr h ALA 307 CO -0.21 0.66 0.41 -0.07 0.00 0.00 0.00 179.25 180.04 2jbr h LEU 308 N 0.66 1.07 -0.54 0.00 3.38 -0.90 -1.72 115.31 117.27 2jbr h LEU 308 Ca 0.06 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 2jbr h LEU 308 Cb 0.91 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2jbr h LEU 308 CO 0.08 0.90 -0.51 0.24 0.09 0.00 0.00 178.44 179.24 2jbr h MET 309 N 1.17 0.58 -0.45 1.13 2.86 -1.22 -1.26 114.93 117.73 2jbr h MET 309 Ca 0.28 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2jbr h MET 309 Cb 0.10 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2jbr h MET 309 CO -0.04 0.96 0.08 0.00 1.06 0.00 0.00 176.91 178.96 2jbr h ARG 310 N 0.46 0.75 -0.35 1.72 3.08 -1.31 0.37 114.38 119.10 2jbr h ARG 310 Ca 0.02 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 59.89 2jbr h ARG 310 Cb 1.05 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 2jbr h ARG 310 CO 0.10 0.77 0.17 0.82 -1.07 0.00 0.00 179.97 180.76 2jbr h ILE 311 N 0.62 0.97 -0.10 2.04 2.04 -1.20 -0.65 117.51 121.23 2jbr h ILE 311 Ca 0.14 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2jbr h ILE 311 Cb 0.38 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2jbr h ILE 311 CO 0.01 0.06 0.03 0.00 0.00 0.00 0.00 178.15 178.26 2jbr h ALA 312 N 1.19 0.13 -0.67 1.87 0.00 -1.08 -0.90 119.26 119.79 2jbr h ALA 312 Ca 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jbr h ALA 312 Cb 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2jbr h ALA 312 CO -0.11 -0.27 0.19 1.49 0.00 0.00 0.00 179.25 180.55 2jbr h GLU 313 N -0.02 1.05 -0.35 0.00 4.81 -0.81 0.16 114.58 119.42 2jbr h GLU 313 Ca 0.03 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 2jbr h GLU 313 Cb 0.20 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2jbr h GLU 313 CO -0.00 0.93 -0.11 0.77 -0.73 0.00 0.00 179.01 179.86 2jbr h SER 314 N 0.98 0.59 -0.10 1.04 0.02 -1.13 0.94 113.55 115.90 2jbr h SER 314 Ca 0.21 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2jbr h SER 314 Cb 0.33 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2jbr h SER 314 CO -0.00 0.74 0.04 0.74 -1.14 0.00 0.00 176.83 177.21 2jbr h THR 315 N 0.56 1.13 -0.31 -2.27 2.02 -0.62 -1.58 112.91 111.85 2jbr h THR 315 Ca 0.10 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.91 2jbr h THR 315 Cb 0.53 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2jbr h THR 315 CO 0.03 0.12 0.15 0.45 0.37 0.00 0.00 175.52 176.64 2jbr h HIS 316 N 0.01 0.28 -0.51 3.16 -0.00 -0.50 -1.11 115.15 116.49 2jbr h HIS 316 Ca 0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2jbr h HIS 316 Cb 0.15 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 2jbr h HIS 316 CO -0.02 0.15 0.27 0.37 -0.00 0.00 0.00 177.93 178.70 2jbr h GLN 317 N 0.32 0.71 0.00 2.45 4.15 -0.75 -0.65 115.11 121.35 2jbr h GLN 317 Ca 0.13 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 2jbr h GLN 317 Cb 0.05 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2jbr h GLN 317 CO -0.09 0.56 -0.42 -0.39 -1.93 0.00 0.00 178.83 176.56 2jbr h VAL 318 N 0.67 0.83 -0.74 2.39 -1.51 -1.25 -1.62 116.25 115.02 2jbr h VAL 318 Ca 0.18 -1.79 -0.06 0.00 -1.23 0.00 0.00 66.70 63.79 2jbr h VAL 318 Cb 0.06 2.14 -0.03 0.00 -2.13 0.00 0.00 31.29 31.33 2jbr h VAL 318 CO -0.03 0.41 0.22 0.00 -1.23 0.00 0.00 177.57 176.94 2jbr h ALA 319 N 1.58 0.98 -0.17 5.19 0.00 -0.91 0.30 119.26 126.23 2jbr h ALA 319 Ca -0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2jbr h ALA 319 Cb 1.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jbr h ALA 319 CO 0.05 0.67 -0.52 0.00 0.00 0.00 0.00 179.25 179.46 2jbr h ALA 320 N 1.12 0.77 -0.43 0.00 0.00 -1.03 -0.18 119.26 119.51 2jbr h ALA 320 Ca 0.24 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2jbr h ALA 320 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jbr h ALA 320 CO -0.01 0.68 -0.03 0.00 0.00 0.00 0.00 179.25 179.89 2jbr h ALA 321 N 1.05 0.58 0.04 0.00 0.00 -1.04 -1.04 119.26 118.85 2jbr h ALA 321 Ca 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jbr h ALA 321 Cb 1.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jbr h ALA 321 CO 0.09 0.40 -0.02 -0.09 0.00 0.00 0.00 179.25 179.64 2jbr h ARG 322 N 0.61 -0.05 -0.51 0.00 2.43 -0.31 -1.10 114.38 115.45 2jbr h ARG 322 Ca 0.12 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2jbr h ARG 322 Cb 0.54 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 2jbr h ARG 322 CO 0.03 -0.02 0.16 0.00 -1.51 0.00 0.00 179.97 178.63 2jbr h ALA 323 N 0.89 0.62 -0.62 2.80 0.00 -0.98 0.27 119.26 122.24 2jbr h ALA 323 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jbr h ALA 323 Cb 0.06 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2jbr h ALA 323 CO 0.01 -0.24 0.34 1.25 0.00 0.00 0.00 179.25 180.60 2jbr h LEU 324 N 0.32 0.79 -0.31 0.00 5.85 -1.07 -1.54 115.31 119.34 2jbr h LEU 324 Ca 0.25 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2jbr h LEU 324 Cb 0.30 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2jbr h LEU 324 CO -0.28 0.66 0.05 -0.07 -0.34 0.00 0.00 178.44 178.46 2jbr h LEU 325 N 0.85 0.50 -0.71 2.25 3.38 -0.60 -1.76 115.31 119.22 2jbr h LEU 325 Ca 0.22 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jbr h LEU 325 Cb 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2jbr h LEU 325 CO -0.03 0.63 0.45 -0.33 0.09 0.00 0.00 178.44 179.24 2jbr h GLU 326 N 0.34 0.84 -0.55 1.13 5.08 -0.38 0.21 114.58 121.25 2jbr h GLU 326 Ca 0.09 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2jbr h GLU 326 Cb 0.35 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2jbr h GLU 326 CO 0.01 0.56 0.16 -0.22 -1.00 0.00 0.00 179.01 178.51 2jbr h LYS 327 N 0.87 0.87 -0.46 2.33 3.64 -1.24 -1.27 116.57 121.30 2jbr h LYS 327 Ca 0.29 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2jbr h LYS 327 Cb 0.02 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2jbr h LYS 327 CO -0.11 0.80 0.06 1.15 -2.27 0.00 0.00 179.45 179.08 2jbr h THR 328 N 0.77 1.25 -0.65 1.00 2.02 -0.81 -1.31 112.91 115.18 2jbr h THR 328 Ca 0.18 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 2jbr h THR 328 Cb 0.31 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2jbr h THR 328 CO -0.00 0.33 0.23 -0.50 0.37 0.00 0.00 175.52 175.95 2jbr h TRP 329 N 0.64 0.99 -0.62 3.16 6.55 -0.52 -1.89 115.95 124.26 2jbr h TRP 329 Ca 0.14 -0.08 -0.03 0.00 0.95 0.00 0.00 58.89 59.87 2jbr h TRP 329 Cb 0.41 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 28.39 2jbr h TRP 329 CO 0.03 0.78 0.26 1.49 -1.05 0.00 0.00 178.44 179.95 2jbr h GLU 330 N 0.95 0.93 -0.78 0.49 4.57 -1.05 -0.70 114.58 118.99 2jbr h GLU 330 Ca 0.22 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 2jbr h GLU 330 Cb 0.23 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 2jbr h GLU 330 CO -0.01 0.78 0.50 0.22 -1.18 0.00 0.00 179.01 179.31 2jbr h ASP 331 N 0.87 0.83 -0.30 1.04 3.58 -0.93 -0.30 116.42 121.21 2jbr h ASP 331 Ca 0.21 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 2jbr h ASP 331 Cb 0.19 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2jbr h ASP 331 CO -0.02 0.57 0.18 0.45 -2.88 0.00 0.00 179.24 177.54 2jbr h HIS 332 N 0.98 0.39 -0.09 0.28 3.86 -1.08 -2.05 115.15 117.43 2jbr h HIS 332 Ca 0.31 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.52 2jbr h HIS 332 Cb -0.01 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2jbr h HIS 332 CO -0.03 0.29 0.04 -0.09 0.86 0.00 0.00 177.93 179.00 2jbr h ARG 333 N 0.38 0.09 -0.32 2.45 2.43 -0.67 -1.22 114.38 117.51 2jbr h ARG 333 Ca 0.11 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2jbr h ARG 333 Cb 0.01 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2jbr h ARG 333 CO -0.02 0.06 0.14 0.82 -1.51 0.00 0.00 179.97 179.46 2jbr h ILE 334 N 0.09 0.96 -0.54 1.20 2.04 -1.08 -1.06 117.51 119.12 2jbr h ILE 334 Ca 0.04 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2jbr h ILE 334 Cb 0.01 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2jbr h ILE 334 CO -0.03 0.05 0.31 0.45 0.00 0.00 0.00 178.15 178.93 2jbr h HIS 335 N 0.30 0.57 -0.55 1.37 3.86 -1.16 -2.42 115.15 117.12 2jbr h HIS 335 Ca 0.14 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 2jbr h HIS 335 Cb 0.07 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2jbr h HIS 335 CO -0.11 0.31 0.01 0.78 0.86 0.00 0.00 177.93 179.78 2jbr h GLY 336 N 0.61 1.01 0.86 2.45 0.00 -1.04 0.11 103.07 107.06 2jbr h GLY 336 Ca 0.22 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 46.88 2jbr h GLY 336 CO -0.12 0.65 0.41 1.41 0.00 0.00 0.00 176.54 178.90 2jbr h LEU 337 N 0.87 0.67 -0.59 3.11 3.38 -1.00 -2.62 115.31 119.14 2jbr h LEU 337 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jbr h LEU 337 Cb 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jbr h LEU 337 CO 0.02 0.46 0.00 0.59 0.09 0.00 0.00 178.44 179.61 2jbr n ASN 338 N -4.70 0.91 -2.94 -0.43 3.02 -0.93 -4.91 115.26 105.28 2jbr n ASN 338 Ca 0.07 -1.35 -0.21 0.00 -0.03 0.00 0.00 54.58 53.06 2jbr n ASN 338 Cb 0.09 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.27 -1.72 -3.63 3.10 8.25 -0.86 -4.95 115.22 115.13 2jbr n HIS 339 Ca 0.20 0.37 -0.38 0.00 -0.26 0.00 0.00 57.72 57.64 2jbr n HIS 339 Cb 0.25 -3.83 -0.11 0.00 1.12 0.00 0.00 29.99 27.41 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 -5.60 3.55 0.09 -0.41 0.74 0.31 -4.94 119.66 113.40 2jbr s GLN 340 Ca 0.24 -0.58 -0.30 0.00 0.05 0.00 0.00 55.36 54.77 2jbr s GLN 340 Cb -0.12 -3.59 -0.06 0.00 1.10 0.00 0.00 33.01 30.35 2jbr s GLN 340 CO 0.30 -0.33 1.06 0.71 -0.55 0.00 0.00 175.29 176.48 2jbr s TYR 341 N 1.66 3.62 0.52 1.67 1.51 -1.26 -4.52 117.35 120.56 2jbr s TYR 341 Ca 0.06 1.60 -0.21 0.00 -1.01 0.00 0.00 57.07 57.51 2jbr s TYR 341 Cb -0.17 -3.22 -0.06 0.00 -0.11 0.00 0.00 41.96 38.40 2jbr s TYR 341 CO 0.08 -0.44 1.20 -1.25 -1.11 0.00 0.00 175.55 174.02 2jbr s PRO 342 N 0.37 3.39 1.09 -1.71 0.04 -1.26 -5.04 135.00 131.87 2jbr s PRO 342 Ca 0.52 1.82 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 2jbr s PRO 342 Cb -0.26 -2.18 0.24 0.00 0.04 0.00 0.00 34.50 32.34 2jbr s PRO 342 CO 0.31 -0.87 1.17 0.54 0.04 0.00 0.00 177.00 178.19 2jbr s ASN 343 N -1.45 1.95 0.19 6.66 6.03 -1.26 -4.79 114.94 122.27 2jbr s ASN 343 Ca 0.70 0.61 -0.12 0.00 -1.03 0.00 0.00 52.86 53.01 2jbr s ASN 343 Cb -0.30 -0.86 0.13 0.00 -3.03 0.00 0.00 41.25 37.19 2jbr s ASN 343 CO 0.34 -3.49 1.83 0.11 -2.03 0.00 0.00 177.10 173.86 2jbr h LYS 344 N -2.15 0.67 -0.02 3.55 1.79 -1.99 -1.82 116.57 116.61 2jbr h LYS 344 Ca -0.46 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2jbr h LYS 344 Cb 1.28 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2jbr h LYS 344 CO 0.40 0.45 0.01 1.49 -1.08 0.00 0.00 179.45 180.72 2jbr h GLU 345 N 0.69 0.03 -0.20 3.15 4.81 -1.95 -1.75 114.58 119.37 2jbr h GLU 345 Ca 0.23 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 2jbr h GLU 345 Cb 0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2jbr h GLU 345 CO -0.10 0.08 -0.29 0.00 -0.73 0.00 0.00 179.01 177.97 2jbr h THR 346 N -0.03 1.27 -0.45 0.32 1.03 -1.91 -2.44 112.91 110.70 2jbr h THR 346 Ca 0.01 -1.31 -0.00 0.00 -0.01 0.00 0.00 66.41 65.10 2jbr h THR 346 Cb 0.06 1.45 -0.02 0.00 -1.07 0.00 0.00 68.15 68.57 2jbr h THR 346 CO -0.00 0.41 0.28 0.25 -0.01 0.00 0.00 175.52 176.44 2jbr h LEU 347 N 0.34 0.53 -1.09 0.00 5.85 -1.23 0.11 115.31 119.81 2jbr h LEU 347 Ca 0.05 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jbr h LEU 347 Cb 0.69 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2jbr h LEU 347 CO 0.05 0.42 0.53 0.00 -0.34 0.00 0.00 178.44 179.09 2jbr h ALA 348 N 1.13 1.32 -0.34 1.25 0.00 -1.11 -0.34 119.26 121.18 2jbr h ALA 348 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2jbr h ALA 348 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2jbr h ALA 348 CO -0.03 0.59 -0.11 0.74 0.00 0.00 0.00 179.25 180.44 2jbr h PHE 349 N 1.17 0.76 -0.78 0.00 -1.00 -1.01 -2.23 116.94 113.85 2jbr h PHE 349 Ca 0.31 -0.17 0.01 0.00 2.81 0.00 0.00 57.97 60.93 2jbr h PHE 349 Cb -0.07 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.27 2jbr h PHE 349 CO 0.00 0.86 0.51 -1.49 -1.61 0.00 0.00 178.31 176.58 2jbr h TRP 350 N 0.45 0.97 -0.82 -0.55 4.06 -0.56 0.17 115.95 119.66 2jbr h TRP 350 Ca 0.08 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.01 2jbr h TRP 350 Cb 0.63 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.43 2jbr h TRP 350 CO 0.05 0.59 0.36 -0.09 -3.56 0.00 0.00 178.44 175.79 2jbr h ARG 351 N 1.03 1.21 0.00 0.49 9.65 -1.04 -3.39 114.38 122.34 2jbr h ARG 351 Ca 0.29 -0.20 -0.24 0.00 -1.10 0.00 0.00 59.98 58.73 2jbr h ARG 351 Cb -0.08 -0.21 -0.04 0.00 -1.39 0.00 0.00 29.97 28.25 2jbr h ARG 351 CO -0.08 0.96 -1.89 0.25 2.80 0.00 0.00 179.97 182.02 2jbr n THR 352 N -4.29 0.89 -0.30 0.20 -2.24 -0.84 -4.55 114.28 103.14 2jbr n THR 352 Ca 0.08 -0.55 0.04 0.00 -2.27 0.00 0.00 64.05 61.35 2jbr n THR 352 Cb 0.17 -0.65 0.19 0.00 -2.10 0.00 0.00 70.33 67.93 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 0.66 -0.14 3.42 2.35 -0.85 -1.01 115.58 120.01 2jbr h ASN 353 Ca -0.35 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.44 2jbr h ASN 353 Cb 1.80 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 40.09 2jbr h ASN 353 CO 0.02 0.36 0.04 0.06 -1.65 0.00 0.00 177.43 176.26 2jbr h GLN 354 N 0.77 0.29 -0.15 0.81 -0.00 -1.79 -0.81 115.11 114.23 2jbr h GLN 354 Ca 0.42 -0.04 -0.20 0.00 -0.00 0.00 0.00 58.65 58.83 2jbr h GLN 354 Cb 0.44 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 2jbr h GLN 354 CO -0.27 0.29 -0.70 0.00 -0.00 0.00 0.00 178.83 178.14 2jbr h ALA 355 N 1.76 0.47 -0.45 0.06 0.00 -1.44 -1.32 119.26 118.34 2jbr h ALA 355 Ca 0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2jbr h ALA 355 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jbr h ALA 355 CO -0.00 0.71 0.15 -0.92 0.00 0.00 0.00 179.25 179.19 2jbr h TYR 356 N 0.46 0.70 -0.80 0.00 3.20 -0.96 -1.94 116.97 117.63 2jbr h TYR 356 Ca -0.03 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.82 2jbr h TYR 356 Cb 1.30 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.31 2jbr h TYR 356 CO 0.07 0.62 0.50 0.00 -1.64 0.00 0.00 178.16 177.71 2jbr h ALA 357 N 1.00 1.07 -0.46 1.82 0.00 -1.08 -0.92 119.26 120.69 2jbr h ALA 357 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jbr h ALA 357 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2jbr h ALA 357 CO -0.01 0.27 0.28 0.28 0.00 0.00 0.00 179.25 180.07 2jbr h VAL 358 N 0.94 1.07 -1.01 0.00 2.07 -1.13 -1.07 116.25 117.12 2jbr h VAL 358 Ca 0.33 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.68 2jbr h VAL 358 Cb 0.09 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2jbr h VAL 358 CO -0.14 0.10 0.67 0.50 0.02 0.00 0.00 177.57 178.72 2jbr h LYS 359 N 0.57 1.29 -0.44 1.57 3.64 -0.76 -1.28 116.57 121.16 2jbr h LYS 359 Ca 0.18 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2jbr h LYS 359 Cb -0.01 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.51 2jbr h LYS 359 CO -0.07 0.85 -0.04 0.52 -2.27 0.00 0.00 179.45 178.45 2jbr h MET 360 N 1.33 0.81 -0.73 1.90 2.86 -0.92 -2.52 114.93 117.66 2jbr h MET 360 Ca 0.38 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2jbr h MET 360 Cb -0.09 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2jbr h MET 360 CO -0.10 0.89 0.23 0.00 1.06 0.00 0.00 176.91 178.99 2jbr h ILE 362 N 1.08 1.27 -0.70 0.00 2.04 -1.25 -0.92 117.51 119.04 2jbr h ILE 362 Ca 0.24 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.85 2jbr h ILE 362 Cb 0.30 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2jbr h ILE 362 CO -0.01 0.45 0.40 -0.33 0.00 0.00 0.00 178.15 178.66 2jbr h GLU 363 N 0.77 0.72 -0.49 2.37 5.08 -1.21 0.10 114.58 121.93 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 0.72 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2jbr h GLU 363 CO 0.05 0.48 -0.07 0.00 -1.00 0.00 0.00 179.01 178.47 2jbr h ALA 364 N 1.35 0.66 -0.48 3.43 0.00 -0.97 -0.39 119.26 122.86 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 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jbr h ALA 364 CO -0.17 0.53 0.22 0.28 0.00 0.00 0.00 179.25 180.10 2jbr h VAL 365 N 0.75 1.20 -0.33 0.00 2.07 -1.00 -3.19 116.25 115.75 2jbr h VAL 365 Ca 0.13 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 2jbr h VAL 365 Cb 0.60 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2jbr h VAL 365 CO 0.04 0.22 -0.20 0.44 0.02 0.00 0.00 177.57 178.09 2jbr h ASP 366 N 0.64 0.62 -0.50 0.57 3.32 -0.55 -0.09 116.42 120.43 2jbr h ASP 366 Ca 0.16 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2jbr h ASP 366 Cb 0.15 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2jbr h ASP 366 CO -0.02 0.83 0.32 -0.09 -1.72 0.00 0.00 179.24 178.56 2jbr h ARG 367 N 0.55 0.67 0.19 3.56 2.43 -1.09 -0.95 114.38 119.75 2jbr h ARG 367 Ca 0.08 -0.05 -0.33 0.00 -0.81 0.00 0.00 59.98 58.88 2jbr h ARG 367 Cb 0.66 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2jbr h ARG 367 CO 0.05 0.46 -1.60 -0.07 -1.51 0.00 0.00 179.97 177.30 2jbr h LEU 368 N 0.69 0.63 -1.54 3.80 3.38 -1.44 -3.32 115.31 117.50 2jbr h LEU 368 Ca 0.18 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.23 2jbr h LEU 368 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2jbr h LEU 368 CO -0.04 1.73 0.24 -0.03 0.09 0.00 0.00 178.44 180.43 2jbr h MET 369 N 0.03 0.55 0.00 1.13 4.05 -0.90 -2.00 114.93 117.79 2jbr h MET 369 Ca -0.31 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.06 2jbr h MET 369 Cb 2.04 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 32.72 2jbr h MET 369 CO 0.18 0.39 -0.05 0.00 0.23 0.00 0.00 176.91 177.66 2jbr h ALA 370 N 1.71 1.13 -0.32 0.39 0.00 -1.27 -2.63 119.26 118.27 2jbr h ALA 370 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jbr h ALA 370 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jbr h ALA 370 CO -0.03 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2jbr n ALA 371 N -2.17 2.29 0.62 0.00 0.00 -0.79 -4.70 120.51 115.76 2jbr n ALA 371 Ca -0.02 -1.03 0.12 0.00 0.00 0.00 0.00 53.44 52.52 2jbr n ALA 371 Cb 0.20 -0.52 0.22 0.00 0.00 0.00 0.00 19.45 19.35 2jbr n ALA 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jbr n ALA 372 N 0.75 2.87 0.00 0.00 0.00 -0.99 -5.06 120.51 118.08 2jbr n ALA 372 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2jbr n ALA 372 Cb 0.43 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.35 -1.45 0.19 0.00 0.00 -1.26 -4.33 105.19 99.69 2jbr n GLY 373 Ca 0.04 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.52 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 1.40 0.00 4.61 0.00 -1.97 -2.80 119.26 120.50 2jbr h ALA 374 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 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 0.43 -0.02 1.79 0.00 0.00 0.00 179.25 181.45 2jbr h THR 375 N 0.00 0.14 0.00 0.00 1.35 -1.99 -2.54 112.91 109.86 2jbr h THR 375 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2jbr h THR 375 Cb 0.62 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2jbr h THR 375 CO 0.05 0.02 0.00 -1.20 -0.25 0.00 0.00 175.52 174.13 2jbr n SER 376 N -3.24 0.45 -1.05 5.36 7.64 -1.06 -2.72 113.62 119.01 2jbr n SER 376 Ca -0.02 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.54 2jbr n SER 376 Cb 0.16 -0.67 0.21 0.00 -1.01 0.00 0.00 64.21 62.89 2jbr n SER 376 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jbr n PHE 377 N -1.94 0.36 -2.76 1.43 3.72 -0.96 -2.55 117.46 114.76 2jbr n PHE 377 Ca 0.05 -0.18 -0.34 0.00 -0.05 0.00 0.00 57.45 56.93 2jbr n PHE 377 Cb 0.34 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.64 4.20 0.53 -1.08 -1.94 -1.10 -4.96 119.30 113.32 2jbr s MET 378 Ca 0.36 1.20 0.22 0.00 -1.71 0.00 0.00 55.69 55.76 2jbr s MET 378 Cb 0.22 -2.25 1.38 0.00 2.01 0.00 0.00 34.83 36.19 2jbr s MET 378 CO 0.31 -0.06 2.07 -0.44 -0.01 0.00 0.00 175.02 176.89 2jbr h ASP 379 N 2.02 0.00 -0.02 3.03 3.32 -1.92 -1.72 116.42 121.14 2jbr h ASP 379 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jbr h ASP 379 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2jbr h ASP 379 CO 0.61 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.67 2jbr n ASN 380 N -4.36 0.25 -4.74 6.45 6.94 -1.26 -4.78 115.26 113.76 2jbr n ASN 380 Ca 0.04 -1.33 -0.35 0.00 -0.02 0.00 0.00 54.58 52.92 2jbr n ASN 380 Cb 0.38 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.70 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 -1.73 5.83 0.27 0.53 0.15 -0.65 -5.00 113.70 113.10 2jbr s SER 381 Ca 0.35 0.24 0.06 0.00 0.70 0.00 0.00 55.95 57.30 2jbr s SER 381 Cb 0.16 -1.88 0.36 0.00 -1.71 0.00 0.00 66.02 62.95 2jbr s SER 381 CO 0.27 0.31 1.63 -0.08 1.20 0.00 0.00 173.24 176.57 2jbr h GLU 382 N 5.72 0.19 -0.59 5.44 4.81 -1.86 -3.32 114.58 124.97 2jbr h GLU 382 Ca -0.47 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 58.73 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 0.63 0.68 0.24 -0.07 -0.73 0.00 0.00 179.01 179.75 2jbr h LEU 383 N 0.15 0.27 -0.93 1.64 3.38 -1.94 -0.80 115.31 117.09 2jbr h LEU 383 Ca 0.00 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.16 2jbr h LEU 383 Cb 0.99 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 2jbr h LEU 383 CO 0.08 0.17 0.56 -0.61 0.09 0.00 0.00 178.44 178.73 2jbr h GLN 384 N 0.44 0.84 -0.33 1.13 -0.00 -1.59 0.23 115.11 115.83 2jbr h GLN 384 Ca 0.29 -0.05 -0.14 0.00 -0.00 0.00 0.00 58.65 58.74 2jbr h GLN 384 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 2jbr h GLN 384 CO -0.27 0.56 -0.35 -0.09 0.00 0.00 0.00 178.83 178.68 2jbr h ARG 385 N 0.86 0.82 -0.47 1.69 2.43 -1.33 -2.20 114.38 116.18 2jbr h ARG 385 Ca 0.47 -0.44 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2jbr h ARG 385 Cb 0.51 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2jbr h ARG 385 CO -0.28 1.08 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.16 2jbr h LEU 386 N 0.60 0.83 0.02 3.80 3.38 -0.85 -1.35 115.31 121.74 2jbr h LEU 386 Ca 0.05 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2jbr h LEU 386 Cb 0.94 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2jbr h LEU 386 CO 0.09 0.95 -0.06 0.15 0.09 0.00 0.00 178.44 179.65 2jbr h PHE 387 N 0.70 -0.16 -0.28 1.13 3.57 -0.53 -0.85 116.94 120.52 2jbr h PHE 387 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2jbr h PHE 387 Cb 0.53 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2jbr h PHE 387 CO 0.04 -0.10 0.05 0.00 -2.23 0.00 0.00 178.31 176.07 2jbr h ARG 388 N -0.12 0.45 -0.69 1.11 3.08 -1.33 -2.65 114.38 114.22 2jbr h ARG 388 Ca 0.02 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2jbr h ARG 388 Cb 0.14 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2jbr h ARG 388 CO -0.06 0.57 0.26 -0.44 -1.07 0.00 0.00 179.97 179.23 2jbr h ASP 389 N 0.27 0.95 -0.02 7.04 3.32 -1.24 -2.37 116.42 124.37 2jbr h ASP 389 Ca 0.08 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2jbr h ASP 389 Cb 0.33 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2jbr h ASP 389 CO 0.01 0.85 0.01 0.00 -1.72 0.00 0.00 179.24 178.39 2jbr h ALA 390 N 1.28 0.03 -0.72 3.45 0.00 -1.07 -2.54 119.26 119.69 2jbr h ALA 390 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2jbr h ALA 390 Cb 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jbr h ALA 390 CO -0.02 -0.48 0.42 0.45 0.00 0.00 0.00 179.25 179.62 2jbr h HIS 391 N 0.03 0.95 -0.38 0.00 3.86 -1.30 -2.12 115.15 116.18 2jbr h HIS 391 Ca 0.01 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2jbr h HIS 391 Cb -0.00 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 2jbr h HIS 391 CO -0.08 0.64 0.19 1.98 0.86 0.00 0.00 177.93 181.52 2jbr h MET 392 N 0.99 0.52 0.00 2.45 -1.53 -1.26 -2.21 114.93 113.89 2jbr h MET 392 Ca 0.26 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.45 2jbr h MET 392 Cb -0.02 -0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 30.92 2jbr h MET 392 CO -0.05 0.41 -0.05 1.79 0.14 0.00 0.00 176.91 179.15 2jbr h THR 393 N 0.53 0.80 -0.03 -0.77 1.35 -0.95 -1.13 112.91 112.71 2jbr h THR 393 Ca 0.14 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2jbr h THR 393 Cb 0.05 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2jbr h THR 393 CO -0.02 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2jbr n GLY 394 N -1.25 -0.25 0.00 5.82 0.00 -0.84 -4.08 105.19 104.59 2jbr n GLY 394 Ca -0.03 -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 -0.13 4.49 -1.78 4.61 0.00 -0.43 -4.33 120.51 122.94 2jbr n ALA 395 Ca 0.20 -0.56 -0.36 0.00 0.00 0.00 0.00 53.44 52.72 2jbr n ALA 395 Cb 0.28 -0.72 -0.01 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 -2.92 2.86 0.50 0.00 2.46 -1.23 -4.91 115.29 112.06 2jbr s HIS 396 Ca 0.07 1.56 0.18 0.00 0.47 0.00 0.00 55.06 57.34 2jbr s HIS 396 Cb 0.15 -3.28 1.25 0.00 -0.13 0.00 0.00 32.58 30.58 2jbr s HIS 396 CO 0.82 -1.35 2.06 0.00 -2.47 0.00 0.00 174.74 173.81 2jbr h ALA 397 N 1.72 2.17 0.00 1.58 0.00 -1.95 -1.55 119.26 121.23 2jbr h ALA 397 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jbr h ALA 397 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jbr h ALA 397 CO 0.59 -0.24 0.00 -0.92 0.00 0.00 0.00 179.25 178.68 2jbr h TYR 398 N 0.10 0.00 -0.02 0.00 3.20 -1.97 -3.30 116.97 114.98 2jbr h TYR 398 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2jbr h TYR 398 Cb 0.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2jbr h TYR 398 CO -0.00 0.00 -0.07 0.25 -1.64 0.00 0.00 178.16 176.70 2jbr n THR 399 N -3.04 0.00 -1.60 1.81 -2.24 -0.63 -4.81 114.28 103.77 2jbr n THR 399 Ca 0.04 -0.46 -0.49 0.00 -2.27 0.00 0.00 64.05 60.86 2jbr n THR 399 Cb 0.51 1.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.98 2jbr n THR 399 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jbr n ASP 400 N 0.63 2.90 0.11 3.42 -0.08 -0.91 -4.79 116.55 117.83 2jbr n ASP 400 Ca 0.08 0.69 -0.01 0.00 -1.51 0.00 0.00 54.79 54.04 2jbr n ASP 400 Cb 0.37 -1.34 -0.01 0.00 2.34 0.00 0.00 41.12 42.47 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 10.93 0.00 -0.65 -0.67 3.20 -1.88 -2.43 116.97 125.47 2jbr h TYR 401 Ca -0.40 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.48 2jbr h TYR 401 Cb 1.29 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 2jbr h TYR 401 CO 0.91 0.69 0.43 -0.44 -1.64 0.00 0.00 178.16 178.10 2jbr h ASP 402 N 0.00 0.74 -0.15 -2.11 3.32 -1.99 0.26 116.42 116.49 2jbr h ASP 402 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2jbr h ASP 402 Cb 1.50 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 2jbr h ASP 402 CO 0.09 0.53 0.05 0.58 -1.72 0.00 0.00 179.24 178.78 2jbr h VAL 403 N 0.87 1.17 -0.75 -1.35 2.07 -1.95 -2.82 116.25 113.50 2jbr h VAL 403 Ca 0.24 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2jbr h VAL 403 Cb -0.09 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2jbr h VAL 403 CO -0.06 0.15 0.23 0.00 0.02 0.00 0.00 177.57 177.91 2jbr h ALA 405 N 1.12 1.24 -0.38 0.00 0.00 -0.51 -1.26 119.26 119.47 2jbr h ALA 405 Ca 0.24 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2jbr h ALA 405 Cb 0.32 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jbr h ALA 405 CO -0.01 0.63 -0.29 1.96 0.00 0.00 0.00 179.25 181.54 2jbr h GLN 406 N 1.20 0.87 0.30 0.00 4.20 -1.22 -0.49 115.11 119.97 2jbr h GLN 406 Ca 0.30 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2jbr h GLN 406 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2jbr h GLN 406 CO -0.05 1.07 -0.14 0.82 -0.67 0.00 0.00 178.83 179.86 2jbr h ILE 407 N 0.67 0.72 -0.11 2.54 2.04 -0.98 -1.58 117.51 120.81 2jbr h ILE 407 Ca 0.07 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2jbr h ILE 407 Cb 0.87 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2jbr h ILE 407 CO 0.08 0.02 0.03 0.25 0.00 0.00 0.00 178.15 178.52 2jbr h LEU 408 N -0.43 0.17 -0.51 1.44 5.85 -1.29 -2.60 115.31 117.94 2jbr h LEU 408 Ca -0.04 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.55 2jbr h LEU 408 Cb 0.33 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 2jbr h LEU 408 CO 0.07 0.35 -0.02 1.23 -0.34 0.00 0.00 178.44 179.73 2jbr h GLY 409 N -0.03 0.50 1.00 3.75 0.00 -1.06 0.10 103.07 107.33 2jbr h GLY 409 Ca 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2jbr h GLY 409 CO 0.00 -0.15 0.34 3.21 0.00 0.00 0.00 176.54 179.94 2jbr h ARG 410 N 0.09 0.77 -0.38 4.80 3.08 -1.27 -2.29 114.38 119.18 2jbr h ARG 410 Ca 0.26 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2jbr h ARG 410 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2jbr h ARG 410 CO -0.44 0.55 0.16 1.49 -1.07 0.00 0.00 179.97 180.65 2jbr h GLU 411 N 0.76 0.56 0.00 0.04 4.57 -0.96 0.12 114.58 119.66 2jbr h GLU 411 Ca 0.20 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2jbr h GLU 411 Cb -0.02 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 2jbr h GLU 411 CO -0.04 0.53 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.18 2jbr h LEU 412 N 0.46 0.00 -2.15 1.64 3.38 -0.68 -2.07 115.31 115.89 2jbr h LEU 412 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jbr h LEU 412 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jbr h LEU 412 CO -0.01 0.07 0.00 0.23 0.09 0.00 0.00 178.44 178.82 2jbr n MET 413 N -4.16 2.39 -1.39 1.13 2.81 -0.88 -4.95 117.12 112.08 2jbr n MET 413 Ca -0.03 -2.11 -0.06 0.00 -1.81 0.00 0.00 57.70 53.69 2jbr n MET 413 Cb 0.16 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 2jbr n MET 413 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jbr n GLY 414 N 1.46 0.71 3.90 3.03 0.00 -0.78 -5.02 105.19 108.48 2jbr n GLY 414 Ca 0.19 -0.73 -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 -2.93 3.68 0.44 1.61 -1.94 0.36 -5.02 119.30 115.50 2jbr s MET 415 Ca 0.00 0.15 -0.24 0.00 -1.71 0.00 0.00 55.69 53.89 2jbr s MET 415 Cb 0.00 -2.57 -0.08 0.00 2.01 0.00 0.00 34.83 34.20 2jbr s MET 415 CO 0.00 0.14 1.25 -1.21 -0.01 0.00 0.00 175.02 175.18 2jbr s GLU 416 N -3.64 3.81 0.46 2.03 0.41 -1.26 -4.41 118.70 116.09 2jbr s GLU 416 Ca 0.46 2.00 -0.24 0.00 -0.41 0.00 0.00 54.97 56.79 2jbr s GLU 416 Cb -0.11 -2.57 -0.09 0.00 -1.78 0.00 0.00 34.13 29.58 2jbr s GLU 416 CO 0.30 -0.57 1.13 -2.30 -0.49 0.00 0.00 175.26 173.33 2jbr n PRO 417 N -0.21 1.54 -2.74 0.39 -0.02 -1.26 -4.95 135.00 127.74 2jbr n PRO 417 Ca 0.06 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 2jbr n PRO 417 Cb 0.46 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.74 6.85 0.49 2.55 -1.08 -1.26 -4.93 116.67 118.55 2jbr s ASP 418 Ca 0.65 0.94 0.33 0.00 -0.52 0.00 0.00 52.55 53.94 2jbr s ASP 418 Cb -0.51 -2.50 1.43 0.00 -1.46 0.00 0.00 42.92 39.88 2jbr s ASP 418 CO 0.55 -0.79 1.97 1.55 0.52 0.00 0.00 175.17 178.97 2jbr h PRO 419 N 8.07 0.00 0.00 4.34 0.13 -2.05 -2.93 132.00 139.56 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 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jbr h PRO 419 CO 0.98 0.00 0.00 1.15 -0.23 0.00 0.00 178.00 179.90 2jbr h THR 420 N 0.00 0.00 -4.00 1.56 2.02 -2.03 -3.43 112.91 107.03 2jbr h THR 420 Ca 0.00 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.02 2jbr h THR 420 Cb 0.38 0.80 -0.13 0.00 -1.74 0.00 0.00 68.15 67.47 2jbr h THR 420 CO 0.00 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.52 2jbr s MET 421 N -3.83 1.18 0.00 6.66 0.23 -1.11 -5.23 119.30 117.21 2jbr s MET 421 Ca -0.03 -1.26 0.00 0.00 -1.03 0.00 0.00 55.69 53.37 2jbr s MET 421 Cb 0.10 0.36 0.00 0.00 -1.53 0.00 0.00 34.83 33.76 2jbr s MET 421 CO 0.32 -0.43 0.00 1.55 -2.03 0.00 0.00 175.02 174.44