#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbj s ILE 2 N 0.00 -0.21 -0.13 0.53 2.07 -1.26 -5.04 121.20 117.15 1bbj s ILE 2 Ca 0.00 0.03 -0.13 0.00 -1.41 0.00 0.00 60.65 59.14 1bbj s ILE 2 Cb 0.00 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 42.04 1bbj s ILE 2 CO 0.00 -0.11 0.28 -1.58 -1.91 0.00 0.00 174.94 171.61 1bbj s GLN 3 N 2.24 4.08 -0.04 3.50 -0.44 -1.26 -4.59 119.66 123.15 1bbj s GLN 3 Ca 0.04 0.09 -0.12 0.00 -2.50 0.00 0.00 55.36 52.87 1bbj s GLN 3 Cb -0.15 -3.36 -0.05 0.00 -1.64 0.00 0.00 33.01 27.81 1bbj s GLN 3 CO -0.09 0.39 0.32 -1.64 0.50 0.00 0.00 175.29 174.78 1bbj s MET 4 N 0.01 3.78 -0.16 1.67 -1.94 -1.26 0.37 119.30 121.76 1bbj s MET 4 Ca 0.17 0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.39 1bbj s MET 4 Cb -0.13 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.49 1bbj s MET 4 CO 0.05 0.71 -0.15 0.99 -0.01 0.00 0.00 175.02 176.60 1bbj s THR 5 N -1.03 2.61 -0.07 2.05 2.01 -0.27 -4.50 115.64 116.43 1bbj s THR 5 Ca 0.21 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 1bbj s THR 5 Cb -0.15 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1bbj s THR 5 CO 0.10 0.51 0.12 -1.10 -0.69 0.00 0.00 174.62 173.57 1bbj s GLN 6 N 0.92 3.32 -0.12 4.92 -0.21 -1.26 0.64 119.66 127.88 1bbj s GLN 6 Ca -0.03 -0.27 -0.10 0.00 0.02 0.00 0.00 55.36 54.99 1bbj s GLN 6 Cb -0.15 -3.06 0.03 0.00 1.00 0.00 0.00 33.01 30.83 1bbj s GLN 6 CO -0.02 0.73 0.31 0.45 -2.12 0.00 0.00 175.29 174.63 1bbj s SER 7 N -1.32 -0.33 0.88 5.90 0.15 0.14 -4.65 113.70 114.48 1bbj s SER 7 Ca 0.19 0.63 -0.10 0.00 0.70 0.00 0.00 55.95 57.36 1bbj s SER 7 Cb -0.12 0.61 0.18 0.00 -1.71 0.00 0.00 66.02 64.98 1bbj s SER 7 CO 0.09 -0.12 1.21 -2.16 1.20 0.00 0.00 173.24 173.45 1bbj s PRO 8 N 0.44 0.94 -0.13 5.44 0.04 -1.26 -0.48 135.00 139.98 1bbj s PRO 8 Ca -0.02 -0.75 -0.19 0.00 0.04 0.00 0.00 61.00 60.07 1bbj s PRO 8 Cb -0.04 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.22 1bbj s PRO 8 CO -0.02 -2.11 0.51 0.00 0.04 0.00 0.00 177.00 175.42 1bbj h ALA 9 N -1.25 0.17 -3.48 8.56 0.00 -1.82 -3.41 119.26 118.03 1bbj h ALA 9 Ca -0.41 -1.03 -0.44 0.00 0.00 0.00 0.00 54.91 53.04 1bbj h ALA 9 Cb 1.24 0.47 -0.22 0.00 0.00 0.00 0.00 17.79 19.28 1bbj h ALA 9 CO 0.36 0.68 -0.79 -1.54 0.00 0.00 0.00 179.25 177.97 1bbj s SER 10 N -6.87 1.80 -0.14 0.00 1.04 -1.26 -1.07 113.70 107.19 1bbj s SER 10 Ca -0.22 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 1bbj s SER 10 Cb 0.04 -0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.16 1bbj s SER 10 CO 0.72 -0.05 0.27 -0.22 0.98 0.00 0.00 173.24 174.94 1bbj s LEU 11 N -1.72 -0.32 -0.36 2.42 2.96 -0.82 -4.97 118.68 115.86 1bbj s LEU 11 Ca -0.01 0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 54.43 1bbj s LEU 11 Cb -0.10 0.73 0.08 0.00 0.50 0.00 0.00 46.19 47.40 1bbj s LEU 11 CO 0.02 -0.25 0.12 -0.55 -1.32 0.00 0.00 176.35 174.38 1bbj s SER 12 N 2.43 5.13 -0.01 3.68 0.15 -1.26 -0.42 113.70 123.40 1bbj s SER 12 Ca 0.02 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 54.99 1bbj s SER 12 Cb -0.12 -1.79 0.01 0.00 -1.71 0.00 0.00 66.02 62.41 1bbj s SER 12 CO -0.09 -0.42 0.00 0.68 1.20 0.00 0.00 173.24 174.61 1bbj s VAL 13 N 1.20 0.03 0.79 4.45 -7.23 -0.86 -4.79 120.40 114.00 1bbj s VAL 13 Ca 0.03 0.03 -0.14 0.00 -1.81 0.00 0.00 61.98 60.08 1bbj s VAL 13 Cb -0.21 -0.07 0.06 0.00 0.56 0.00 0.00 36.38 36.72 1bbj s VAL 13 CO -0.02 0.03 1.06 -1.20 -0.31 0.00 0.00 175.10 174.66 1bbj n SER 14 N 3.33 0.60 -4.68 4.85 7.64 -1.26 -1.59 113.62 122.51 1bbj n SER 14 Ca -0.16 0.59 -0.31 0.00 1.01 0.00 0.00 58.87 60.01 1bbj n SER 14 Cb 0.57 -1.45 0.16 0.00 -1.01 0.00 0.00 64.21 62.48 1bbj n SER 14 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bbj s VAL 15 N -2.05 2.38 0.00 0.44 1.01 -1.25 -2.48 120.40 118.45 1bbj s VAL 15 Ca 0.72 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1bbj s VAL 15 Cb -0.30 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1bbj s VAL 15 CO 0.52 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1bbj n GLY 16 N -0.14 1.84 3.75 4.51 0.00 0.27 -4.87 105.19 110.56 1bbj n GLY 16 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1bbj n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bbj n GLU 17 N -1.11 -1.88 -4.52 1.61 4.71 -1.03 -4.22 120.64 114.20 1bbj n GLU 17 Ca 0.00 -1.96 -0.32 0.00 -0.01 0.00 0.00 57.16 54.87 1bbj n GLU 17 Cb 0.00 -1.45 -0.16 0.00 -1.01 0.00 0.00 31.44 28.81 1bbj n GLU 17 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1bbj s THR 18 N -3.62 2.02 0.06 2.62 -1.32 -1.24 -1.03 115.64 113.13 1bbj s THR 18 Ca 0.74 -0.95 -0.02 0.00 -1.21 0.00 0.00 61.69 60.26 1bbj s THR 18 Cb -0.04 -1.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1bbj s THR 18 CO 0.53 0.54 0.24 -0.69 -2.21 0.00 0.00 174.62 173.03 1bbj s VAL 19 N 0.95 5.35 -0.15 5.08 1.01 0.08 -4.98 120.40 127.74 1bbj s VAL 19 Ca -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1bbj s VAL 19 Cb -0.15 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1bbj s VAL 19 CO -0.05 0.16 0.14 -0.89 0.00 0.00 0.00 175.10 174.46 1bbj s THR 20 N -1.50 -0.20 -0.21 3.92 2.01 -1.26 -1.73 115.64 116.67 1bbj s THR 20 Ca 0.35 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1bbj s THR 20 Cb -0.13 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1bbj s THR 20 CO 0.26 -0.13 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.41 1bbj s ILE 21 N 2.23 3.72 0.13 1.82 1.01 -0.29 -4.70 121.20 125.12 1bbj s ILE 21 Ca 0.04 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1bbj s ILE 21 Cb -0.15 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1bbj s ILE 21 CO -0.09 0.42 -0.03 0.42 0.00 0.00 0.00 174.94 175.66 1bbj s THR 22 N 1.20 3.71 -0.15 2.92 -4.23 0.37 -0.41 115.64 119.04 1bbj s THR 22 Ca 0.03 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.26 1bbj s THR 22 Cb -0.15 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 70.97 1bbj s THR 22 CO 0.00 0.03 0.14 0.00 -0.54 0.00 0.00 174.62 174.26 1bbj s ARG 24 N 2.23 3.92 0.32 0.00 3.52 0.21 -2.04 118.95 127.12 1bbj s ARG 24 Ca 0.04 -0.37 -0.21 0.00 -0.13 0.00 0.00 55.73 55.06 1bbj s ARG 24 Cb -0.15 -3.26 -0.10 0.00 -1.56 0.00 0.00 34.95 29.89 1bbj s ARG 24 CO -0.09 0.16 0.86 0.00 -0.81 0.00 0.00 175.30 175.42 1bbj s ALA 25 N 0.67 3.24 -0.04 6.12 0.00 0.76 -1.12 121.76 131.40 1bbj s ALA 25 Ca 0.04 0.32 0.30 0.00 0.00 0.00 0.00 51.96 52.62 1bbj s ALA 25 Cb -0.13 -3.02 1.42 0.00 0.00 0.00 0.00 23.12 21.39 1bbj s ALA 25 CO 0.02 0.23 1.90 0.66 0.00 0.00 0.00 175.76 178.57 1bbj h SER 26 N 2.77 0.00 -0.47 0.00 4.64 -0.40 -3.44 113.55 116.64 1bbj h SER 26 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1bbj h SER 26 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1bbj h SER 26 CO 0.64 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.76 1bbj n GLU 27 N -2.62 0.00 -3.01 4.77 0.28 -1.26 -4.95 120.64 113.84 1bbj n GLU 27 Ca -0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.56 1bbj n GLU 27 Cb 0.17 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1bbj n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1bbj n ASN 28 N -0.47 5.79 -3.98 -1.84 4.05 -1.26 -4.83 115.26 112.72 1bbj n ASN 28 Ca 0.00 -3.19 -0.53 0.00 0.45 0.00 0.00 54.58 51.31 1bbj n ASN 28 Cb 0.00 -1.37 -0.07 0.00 1.23 0.00 0.00 39.78 39.56 1bbj n ASN 28 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1bbj n ILE 29 N 2.46 0.00 -2.30 -1.44 -5.35 -1.26 -4.88 119.36 106.60 1bbj n ILE 29 Ca 0.29 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.36 1bbj n ILE 29 Cb 0.37 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 1bbj n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1bbj n TYR 30 N 1.73 2.66 -3.43 4.28 4.01 -1.26 -4.51 117.16 120.64 1bbj n TYR 30 Ca 0.19 -2.74 -0.22 0.00 -0.16 0.00 0.00 57.90 54.97 1bbj n TYR 30 Cb 0.05 -1.70 0.07 0.00 -0.31 0.00 0.00 39.34 37.44 1bbj n TYR 30 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1bbj n SER 31 N 1.97 -6.12 -4.07 7.72 7.64 -1.26 -4.95 113.62 114.54 1bbj n SER 31 Ca 0.50 -0.47 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 1bbj n SER 31 Cb 0.29 -4.78 -0.10 0.00 -1.01 0.00 0.00 64.21 58.61 1bbj n SER 31 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1bbj s ASN 32 N -3.20 5.15 -0.08 6.43 0.01 -1.26 -3.16 114.94 118.83 1bbj s ASN 32 Ca 0.51 -2.98 -0.06 0.00 -0.71 0.00 0.00 52.86 49.62 1bbj s ASN 32 Cb -0.22 -1.83 0.03 0.00 0.41 0.00 0.00 41.25 39.64 1bbj s ASN 32 CO 0.63 -0.33 0.19 -0.22 -1.51 0.00 0.00 177.10 175.87 1bbj s LEU 33 N -0.25 1.01 0.17 0.60 1.98 -1.26 -1.18 118.68 119.75 1bbj s LEU 33 Ca 0.18 0.40 0.09 0.00 -2.89 0.00 0.00 54.13 51.90 1bbj s LEU 33 Cb -0.20 0.62 -0.04 0.00 0.66 0.00 0.00 46.19 47.23 1bbj s LEU 33 CO -0.04 -0.10 -0.18 0.00 -1.89 0.00 0.00 176.35 174.14 1bbj s ALA 34 N 0.51 2.06 0.07 5.97 0.00 0.15 -2.73 121.76 127.80 1bbj s ALA 34 Ca -0.03 -1.52 0.09 0.00 0.00 0.00 0.00 51.96 50.50 1bbj s ALA 34 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1bbj s ALA 34 CO -0.03 0.24 -0.24 -1.58 0.00 0.00 0.00 175.76 174.16 1bbj s TRP 35 N -2.09 2.40 0.02 0.00 0.52 -0.46 -0.70 118.94 118.64 1bbj s TRP 35 Ca 0.17 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 55.95 1bbj s TRP 35 Cb -0.06 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 30.88 1bbj s TRP 35 CO 0.07 0.24 -0.04 0.71 0.02 0.00 0.00 176.95 177.94 1bbj s TYR 36 N -0.94 0.38 -0.15 -1.98 2.02 0.25 -1.45 117.35 115.49 1bbj s TYR 36 Ca 0.14 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1bbj s TYR 36 Cb -0.10 -0.25 -0.00 0.00 -0.40 0.00 0.00 41.96 41.21 1bbj s TYR 36 CO 0.05 -0.10 -0.16 -1.14 -1.57 0.00 0.00 175.55 172.63 1bbj s GLN 37 N -1.10 3.22 -0.07 -0.62 0.74 -0.93 0.22 119.66 121.12 1bbj s GLN 37 Ca -0.09 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 54.61 1bbj s GLN 37 Cb -0.07 -2.60 -0.00 0.00 1.10 0.00 0.00 33.01 31.43 1bbj s GLN 37 CO -0.00 0.05 -0.21 -1.14 -0.55 0.00 0.00 175.29 173.44 1bbj s GLN 38 N 0.73 2.35 0.00 1.67 0.74 0.26 -1.03 119.66 124.38 1bbj s GLN 38 Ca -0.07 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 54.60 1bbj s GLN 38 Cb -0.16 -1.92 0.00 0.00 1.10 0.00 0.00 33.01 32.04 1bbj s GLN 38 CO 0.01 0.23 0.00 1.63 -0.55 0.00 0.00 175.29 176.61 1bbj n LYS 39 N 3.30 0.00 -0.09 1.67 5.02 -1.26 -1.00 118.16 125.79 1bbj n LYS 39 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1bbj n LYS 39 Cb 0.52 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1bbj n LYS 39 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1bbj n GLN 40 N -1.03 0.00 0.00 1.97 -0.06 -1.26 -4.73 117.38 112.28 1bbj n GLN 40 Ca 0.00 -0.26 0.00 0.00 -2.00 0.00 0.00 57.00 54.74 1bbj n GLN 40 Cb 0.00 -0.22 0.00 0.00 -4.06 0.00 0.00 30.24 25.96 1bbj n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bbj n GLY 41 N 0.00 0.00 3.30 1.69 0.00 -1.26 -5.12 105.19 103.80 1bbj n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1bbj n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbj s LYS 42 N 0.00 1.05 0.13 1.61 -0.14 -1.26 -5.12 119.74 116.01 1bbj s LYS 42 Ca 0.00 -1.04 -0.35 0.00 -1.36 0.00 0.00 55.97 53.22 1bbj s LYS 42 Cb 0.00 0.38 -0.17 0.00 -1.68 0.00 0.00 37.83 36.36 1bbj s LYS 42 CO 0.00 -0.38 1.15 0.43 -0.76 0.00 0.00 175.35 175.79 1bbj n SER 43 N -0.17 1.04 -4.65 2.83 7.64 -1.26 -4.56 113.62 114.49 1bbj n SER 43 Ca -0.11 1.14 -0.38 0.00 1.01 0.00 0.00 58.87 60.53 1bbj n SER 43 Cb 0.63 -1.15 0.06 0.00 -1.01 0.00 0.00 64.21 62.74 1bbj n SER 43 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1bbj n PRO 44 N 1.86 0.99 -4.38 1.43 -0.02 -1.26 -4.64 135.00 128.97 1bbj n PRO 44 Ca 0.17 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.74 1bbj n PRO 44 Cb 0.21 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 1bbj n PRO 44 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1bbj s GLN 45 N -2.94 1.74 -0.26 -0.52 -1.52 -0.20 -4.97 119.66 110.98 1bbj s GLN 45 Ca 0.78 -1.19 -0.28 0.00 -1.95 0.00 0.00 55.36 52.72 1bbj s GLN 45 Cb -0.41 -2.07 0.01 0.00 -0.22 0.00 0.00 33.01 30.32 1bbj s GLN 45 CO 0.45 0.48 0.98 -1.17 -0.25 0.00 0.00 175.29 175.78 1bbj s LEU 46 N -2.01 4.05 -0.15 2.90 0.20 -1.26 -2.20 118.68 120.21 1bbj s LEU 46 Ca 0.17 1.15 -0.11 0.00 0.69 0.00 0.00 54.13 56.02 1bbj s LEU 46 Cb -0.10 -3.42 -0.05 0.00 -0.43 0.00 0.00 46.19 42.18 1bbj s LEU 46 CO 0.08 -0.69 -0.16 0.18 -0.29 0.00 0.00 176.35 175.47 1bbj n LEU 47 N 6.39 1.83 -3.73 -0.68 4.77 -0.53 -4.59 117.00 120.46 1bbj n LEU 47 Ca 0.10 0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 56.51 1bbj n LEU 47 Cb 0.47 -0.87 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 1bbj n LEU 47 CO 0.53 -0.37 -0.28 0.54 -1.33 0.00 0.00 177.39 176.48 1bbj s VAL 48 N -2.33 -0.10 0.24 4.08 0.11 -1.19 0.47 120.40 121.68 1bbj s VAL 48 Ca -0.18 0.25 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1bbj s VAL 48 Cb 0.03 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1bbj s VAL 48 CO 0.28 0.10 0.32 -0.72 -3.33 0.00 0.00 175.10 171.75 1bbj s TYR 49 N 1.46 3.37 -1.46 1.54 -0.85 0.13 -1.35 117.35 120.19 1bbj s TYR 49 Ca -0.05 -0.04 -0.10 0.00 -0.52 0.00 0.00 57.07 56.36 1bbj s TYR 49 Cb -0.12 -1.53 0.06 0.00 0.38 0.00 0.00 41.96 40.74 1bbj s TYR 49 CO -0.05 0.46 0.96 0.00 -1.52 0.00 0.00 175.55 175.40 1bbj n ALA 50 N -1.33 -1.45 -2.07 9.51 0.00 -1.10 -1.53 120.51 122.54 1bbj n ALA 50 Ca -0.09 0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1bbj n ALA 50 Cb 0.57 -4.10 -0.02 0.00 0.00 0.00 0.00 19.45 15.90 1bbj n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bbj n ALA 51 N -4.64 -0.57 0.00 0.00 0.00 -1.17 -4.00 120.51 110.12 1bbj n ALA 51 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1bbj n ALA 51 Cb 0.56 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1bbj n ALA 51 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bbj n THR 52 N -2.86 0.00 -2.93 0.00 5.66 -1.21 -4.17 114.28 108.77 1bbj n THR 52 Ca -0.14 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.45 1bbj n THR 52 Cb 0.54 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.28 1bbj n THR 52 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1bbj s ASN 53 N 0.00 7.12 0.12 1.09 -0.87 -0.58 -4.21 114.94 117.61 1bbj s ASN 53 Ca 0.00 1.35 -0.30 0.00 -1.57 0.00 0.00 52.86 52.34 1bbj s ASN 53 Cb 0.00 -2.47 -0.06 0.00 -0.02 0.00 0.00 41.25 38.70 1bbj s ASN 53 CO 0.00 -0.17 0.96 -0.22 -2.57 0.00 0.00 177.10 175.10 1bbj s LEU 54 N 0.87 4.51 0.39 0.60 2.96 -1.26 -0.69 118.68 126.07 1bbj s LEU 54 Ca 0.43 1.81 -0.17 0.00 -0.22 0.00 0.00 54.13 55.97 1bbj s LEU 54 Cb -0.19 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.82 1bbj s LEU 54 CO 0.22 -0.04 0.85 0.00 -1.32 0.00 0.00 176.35 176.06 1bbj s ALA 55 N -0.12 3.18 0.19 5.97 0.00 0.18 -4.90 121.76 126.26 1bbj s ALA 55 Ca 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 1bbj s ALA 55 Cb -0.24 -2.96 0.42 0.00 0.00 0.00 0.00 23.12 20.34 1bbj s ALA 55 CO 0.30 0.17 1.02 -3.47 0.00 0.00 0.00 175.76 173.78 1bbj n ASP 56 N -0.66 -0.14 -1.05 0.00 2.03 -1.26 -1.61 116.55 113.86 1bbj n ASP 56 Ca 0.05 1.11 0.10 0.00 0.52 0.00 0.00 54.79 56.58 1bbj n ASP 56 Cb 0.54 -0.38 0.22 0.00 -0.72 0.00 0.00 41.12 40.78 1bbj n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bbj n GLY 57 N -1.36 2.06 3.76 0.27 0.00 -1.26 -4.98 105.19 103.68 1bbj n GLY 57 Ca 0.13 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1bbj n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bbj s VAL 58 N -1.17 3.81 0.35 1.61 1.01 -0.63 -4.97 120.40 120.42 1bbj s VAL 58 Ca 0.37 1.76 -0.27 0.00 0.00 0.00 0.00 61.98 63.83 1bbj s VAL 58 Cb 0.20 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1bbj s VAL 58 CO 0.27 0.37 1.23 -2.84 0.00 0.00 0.00 175.10 174.13 1bbj s PRO 59 N -1.47 4.27 0.65 2.72 0.02 -1.26 -4.90 135.00 135.03 1bbj s PRO 59 Ca 0.45 2.02 0.04 0.00 0.02 0.00 0.00 61.00 63.52 1bbj s PRO 59 Cb -0.27 -2.94 0.21 0.00 0.02 0.00 0.00 34.50 31.52 1bbj s PRO 59 CO 0.35 -0.19 1.11 0.66 -0.33 0.00 0.00 177.00 178.60 1bbj h SER 60 N 3.15 0.00 0.31 2.53 4.64 -1.99 0.13 113.55 122.33 1bbj h SER 60 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1bbj h SER 60 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1bbj h SER 60 CO 0.64 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 175.46 1bbj n ARG 61 N -2.52 0.63 -4.13 4.77 0.00 -1.26 -4.74 116.66 109.41 1bbj n ARG 61 Ca -0.00 0.01 -0.35 0.00 -0.00 0.00 0.00 57.85 57.51 1bbj n ARG 61 Cb 0.91 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.77 1bbj n ARG 61 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1bbj s PHE 62 N -2.33 3.22 0.02 -0.14 0.08 0.46 -0.59 117.98 118.69 1bbj s PHE 62 Ca 0.35 0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.47 1bbj s PHE 62 Cb 0.20 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1bbj s PHE 62 CO 0.40 0.21 -0.07 -1.12 -0.10 0.00 0.00 175.22 174.54 1bbj s SER 63 N 0.08 0.77 -0.15 1.36 0.01 -0.06 -4.97 113.70 110.74 1bbj s SER 63 Ca 0.04 -0.31 -0.16 0.00 1.31 0.00 0.00 55.95 56.83 1bbj s SER 63 Cb -0.12 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1bbj s SER 63 CO 0.01 -0.06 0.38 -0.83 0.41 0.00 0.00 173.24 173.16 1bbj s GLY 64 N -0.82 2.28 0.23 3.44 0.00 -1.26 -1.68 107.32 109.51 1bbj s GLY 64 Ca -0.03 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 44.41 1bbj s GLY 64 CO 0.00 0.62 -0.09 -0.56 0.00 0.00 0.00 173.10 173.06 1bbj s SER 65 N 0.59 2.51 0.00 1.64 0.01 -0.36 -4.47 113.70 113.62 1bbj s SER 65 Ca 0.21 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1bbj s SER 65 Cb -0.14 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1bbj s SER 65 CO 0.07 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1bbj n GLY 66 N -0.45 2.97 3.65 3.44 0.00 -1.26 -0.73 105.19 112.81 1bbj n GLY 66 Ca -0.07 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 1bbj n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bbj s SER 67 N 0.00 -0.19 0.00 1.61 0.01 -0.77 -4.96 113.70 109.40 1bbj s SER 67 Ca 0.00 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1bbj s SER 67 Cb 0.00 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1bbj s SER 67 CO 0.00 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1bbj n GLY 68 N -0.39 -0.18 0.00 3.44 0.00 -1.26 -1.73 105.19 105.07 1bbj n GLY 68 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1bbj n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bbj n THR 69 N 0.00 0.00 -3.73 2.61 -2.24 -1.26 -4.11 114.28 105.55 1bbj n THR 69 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1bbj n THR 69 Cb 0.00 0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.40 1bbj n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1bbj s GLN 70 N 0.00 2.46 0.34 -0.78 -1.52 -0.71 -0.17 119.66 119.28 1bbj s GLN 70 Ca 0.00 -1.42 0.08 0.00 -1.95 0.00 0.00 55.36 52.08 1bbj s GLN 70 Cb 0.00 -3.55 -0.05 0.00 -0.22 0.00 0.00 33.01 29.19 1bbj s GLN 70 CO 0.00 -0.84 0.10 0.71 -0.25 0.00 0.00 175.29 175.01 1bbj s TYR 71 N 1.33 2.65 -0.15 0.91 1.51 -0.86 -1.84 117.35 120.90 1bbj s TYR 71 Ca 0.01 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.53 1bbj s TYR 71 Cb -0.21 -1.59 0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1bbj s TYR 71 CO 0.01 0.39 0.41 -1.12 -1.11 0.00 0.00 175.55 174.13 1bbj s SER 72 N -3.80 -0.43 -0.13 2.29 0.01 0.09 -1.85 113.70 109.88 1bbj s SER 72 Ca 0.37 0.82 -0.03 0.00 1.31 0.00 0.00 55.95 58.41 1bbj s SER 72 Cb -0.02 0.84 -0.03 0.00 0.21 0.00 0.00 66.02 67.02 1bbj s SER 72 CO 0.21 -0.15 -0.01 -0.22 0.41 0.00 0.00 173.24 173.48 1bbj s LEU 73 N 0.18 3.43 -0.09 2.44 0.20 0.46 -1.23 118.68 124.07 1bbj s LEU 73 Ca -0.00 -0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.83 1bbj s LEU 73 Cb -0.03 -1.82 0.02 0.00 -0.43 0.00 0.00 46.19 43.93 1bbj s LEU 73 CO 0.01 0.25 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.64 1bbj s LYS 74 N -0.09 1.96 -0.17 1.98 1.02 -0.67 -1.14 119.74 122.63 1bbj s LYS 74 Ca 0.03 -0.47 -0.04 0.00 0.02 0.00 0.00 55.97 55.51 1bbj s LYS 74 Cb -0.13 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 1bbj s LYS 74 CO 0.02 -0.05 -0.04 0.42 -0.92 0.00 0.00 175.35 174.78 1bbj s ILE 75 N 0.95 3.83 -0.16 2.17 1.01 -0.71 -0.88 121.20 127.41 1bbj s ILE 75 Ca -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1bbj s ILE 75 Cb -0.15 -2.69 -0.09 0.00 0.01 0.00 0.00 42.46 39.55 1bbj s ILE 75 CO -0.00 0.48 -0.17 -0.46 0.00 0.00 0.00 174.94 174.79 1bbj n ASN 76 N 3.72 2.08 -4.24 3.58 0.23 0.24 -0.74 115.26 120.14 1bbj n ASN 76 Ca -0.17 0.04 -0.42 0.00 -0.53 0.00 0.00 54.58 53.50 1bbj n ASN 76 Cb 0.52 -0.35 -0.04 0.00 -2.08 0.00 0.00 39.78 37.84 1bbj n ASN 76 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1bbj s SER 77 N -5.92 6.51 0.20 0.53 0.01 -1.26 -3.62 113.70 110.15 1bbj s SER 77 Ca -0.22 -3.28 -0.32 0.00 1.31 0.00 0.00 55.95 53.44 1bbj s SER 77 Cb 0.07 -2.08 -0.14 0.00 0.21 0.00 0.00 66.02 64.08 1bbj s SER 77 CO 0.33 -0.35 1.37 -0.11 0.41 0.00 0.00 173.24 174.89 1bbj n LEU 78 N 3.06 2.64 -4.73 2.44 7.94 -0.20 -4.69 117.00 123.47 1bbj n LEU 78 Ca 0.18 1.13 -0.32 0.00 -1.11 0.00 0.00 56.01 55.90 1bbj n LEU 78 Cb 0.41 -1.36 -0.08 0.00 0.53 0.00 0.00 43.42 42.91 1bbj n LEU 78 CO 0.38 -0.69 -0.26 -1.10 -1.11 0.00 0.00 177.39 174.62 1bbj s GLN 79 N -0.16 2.14 0.24 1.96 -0.21 -1.26 -0.56 119.66 121.80 1bbj s GLN 79 Ca 0.72 -2.32 -0.07 0.00 0.02 0.00 0.00 55.36 53.71 1bbj s GLN 79 Cb -0.72 -1.57 0.27 0.00 1.00 0.00 0.00 33.01 31.99 1bbj s GLN 79 CO 0.48 -0.29 1.88 0.66 -2.12 0.00 0.00 175.29 175.91 1bbj h SER 80 N 1.44 0.94 -1.22 5.90 4.64 -1.89 -2.36 113.55 121.00 1bbj h SER 80 Ca -0.44 -0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.25 1bbj h SER 80 Cb 1.30 -0.21 -0.17 0.00 -0.31 0.00 0.00 62.40 63.01 1bbj h SER 80 CO 0.76 0.64 1.23 -1.84 -0.87 0.00 0.00 176.83 176.75 1bbj n GLU 81 N -4.54 3.43 -0.27 4.77 0.00 -1.23 -3.84 120.64 118.97 1bbj n GLU 81 Ca 0.11 -2.97 0.06 0.00 0.00 0.00 0.00 57.16 54.36 1bbj n GLU 81 Cb 0.09 -2.35 0.09 0.00 0.00 0.00 0.00 31.44 29.26 1bbj n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bbj n ASP 82 N 1.07 1.42 -4.36 -1.84 9.92 -0.89 -5.03 116.55 116.85 1bbj n ASP 82 Ca 0.54 -2.68 -0.28 0.00 -0.53 0.00 0.00 54.79 51.84 1bbj n ASP 82 Cb 0.40 -0.34 0.15 0.00 -0.64 0.00 0.00 41.12 40.69 1bbj n ASP 82 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1bbj s PHE 83 N -1.76 1.77 0.00 1.24 -0.71 -1.25 -4.82 117.98 112.45 1bbj s PHE 83 Ca 0.20 0.22 0.00 0.00 -1.04 0.00 0.00 56.93 56.31 1bbj s PHE 83 Cb 0.18 -3.77 0.00 0.00 -1.21 0.00 0.00 43.02 38.22 1bbj s PHE 83 CO 0.01 -2.30 0.00 0.41 -1.34 0.00 0.00 175.22 172.00 1bbj n GLY 84 N -3.47 -0.08 3.64 1.99 0.00 -0.66 -4.89 105.19 101.72 1bbj n GLY 84 Ca 0.14 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1bbj n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bbj s SER 85 N -2.04 4.92 -0.06 1.61 0.01 -0.17 -0.35 113.70 117.62 1bbj s SER 85 Ca 0.00 -0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.27 1bbj s SER 85 Cb 0.00 -1.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 1bbj s SER 85 CO 0.00 0.30 -0.19 -0.31 0.41 0.00 0.00 173.24 173.45 1bbj s TYR 86 N -1.00 2.58 0.02 2.43 2.02 0.49 0.93 117.35 124.81 1bbj s TYR 86 Ca 0.17 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1bbj s TYR 86 Cb -0.11 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 1bbj s TYR 86 CO 0.07 -0.02 -0.08 0.71 -1.57 0.00 0.00 175.55 174.66 1bbj s TYR 87 N -0.40 0.74 0.03 2.71 2.02 0.13 -1.79 117.35 120.80 1bbj s TYR 87 Ca 0.04 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1bbj s TYR 87 Cb -0.12 -0.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 1bbj s TYR 87 CO 0.02 -0.03 -0.07 0.00 -1.57 0.00 0.00 175.55 173.91 1bbj s GLN 89 N -1.64 0.51 -0.14 0.00 0.74 0.13 -0.56 119.66 118.70 1bbj s GLN 89 Ca 0.19 -0.22 -0.04 0.00 0.05 0.00 0.00 55.36 55.34 1bbj s GLN 89 Cb -0.11 -0.49 -0.03 0.00 1.10 0.00 0.00 33.01 33.48 1bbj s GLN 89 CO 0.10 0.13 -0.01 -3.38 -0.55 0.00 0.00 175.29 171.58 1bbj s HIS 90 N -0.13 3.10 -0.32 1.67 -3.43 -0.84 0.32 115.29 115.66 1bbj s HIS 90 Ca 0.02 -0.07 0.07 0.00 -0.80 0.00 0.00 55.06 54.28 1bbj s HIS 90 Cb -0.03 -1.92 0.46 0.00 -1.43 0.00 0.00 32.58 29.66 1bbj s HIS 90 CO -0.00 0.16 1.31 1.19 -2.00 0.00 0.00 174.74 175.40 1bbj n PHE 91 N 3.08 2.35 -3.87 0.38 3.72 -0.33 -4.06 117.46 118.74 1bbj n PHE 91 Ca -0.18 -2.18 -0.27 0.00 -0.05 0.00 0.00 57.45 54.78 1bbj n PHE 91 Cb 0.53 -0.47 -0.17 0.00 -0.94 0.00 0.00 39.48 38.43 1bbj n PHE 91 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 1bbj s TRP 92 N -3.56 1.38 0.00 1.38 -0.00 -1.26 -4.95 118.94 111.93 1bbj s TRP 92 Ca 0.51 -0.75 0.00 0.00 -0.00 0.00 0.00 56.10 55.85 1bbj s TRP 92 Cb 0.42 -1.17 0.00 0.00 -0.00 0.00 0.00 33.47 32.72 1bbj s TRP 92 CO 0.02 -0.52 0.00 0.41 -0.00 0.00 0.00 176.95 176.86 1bbj n GLY 93 N 4.97 -2.11 3.77 5.86 0.00 -1.26 -4.84 105.19 111.57 1bbj n GLY 93 Ca -0.11 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1bbj n GLY 93 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bbj s THR 94 N 0.00 3.13 0.28 2.61 -1.32 -1.26 -3.97 115.64 115.11 1bbj s THR 94 Ca 0.00 0.63 -0.29 0.00 -1.21 0.00 0.00 61.69 60.82 1bbj s THR 94 Cb 0.00 -3.20 -0.10 0.00 -1.51 0.00 0.00 72.50 67.69 1bbj s THR 94 CO 0.00 -0.22 1.22 -2.16 -2.21 0.00 0.00 174.62 171.25 1bbj s PRO 95 N -3.59 4.48 -1.29 7.08 0.04 -1.26 -4.50 135.00 135.96 1bbj s PRO 95 Ca 0.71 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.59 1bbj s PRO 95 Cb -0.23 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1bbj s PRO 95 CO 0.33 -0.03 2.05 0.66 0.04 0.00 0.00 177.00 180.05 1bbj n TYR 96 N 1.29 3.49 -1.47 0.56 4.01 -1.25 -4.66 117.16 119.13 1bbj n TYR 96 Ca 0.01 -2.66 -0.38 0.00 -0.16 0.00 0.00 57.90 54.71 1bbj n TYR 96 Cb 0.43 -2.45 0.05 0.00 -0.31 0.00 0.00 39.34 37.06 1bbj n TYR 96 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1bbj n THR 97 N 5.73 2.52 -4.23 -0.72 -1.04 -1.26 -4.60 114.28 110.68 1bbj n THR 97 Ca 0.50 -0.48 -0.32 0.00 -2.04 0.00 0.00 64.05 61.71 1bbj n THR 97 Cb 0.41 -0.79 -0.08 0.00 -1.82 0.00 0.00 70.33 68.05 1bbj n THR 97 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1bbj s PHE 98 N -1.71 3.12 0.76 -1.42 0.08 -1.26 -1.99 117.98 115.56 1bbj s PHE 98 Ca 0.70 0.10 -0.12 0.00 0.12 0.00 0.00 56.93 57.73 1bbj s PHE 98 Cb -0.42 -1.67 0.05 0.00 -0.57 0.00 0.00 43.02 40.40 1bbj s PHE 98 CO 0.53 0.48 1.13 0.20 -0.10 0.00 0.00 175.22 177.46 1bbj s GLY 99 N -1.67 1.61 0.00 4.36 0.00 0.27 -4.63 107.32 107.27 1bbj s GLY 99 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1bbj s GLY 99 CO 0.12 -0.02 0.95 0.61 0.00 0.00 0.00 173.10 174.76 1bbj n GLY 100 N -3.00 -0.45 0.00 0.20 0.00 -1.26 -4.70 105.19 95.98 1bbj n GLY 100 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1bbj n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bbj n GLY 101 N -1.45 -2.52 2.82 -0.02 0.00 -1.26 -5.03 105.19 97.73 1bbj n GLY 101 Ca 0.00 -1.35 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1bbj n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbj s THR 102 N -3.76 0.26 -0.20 2.61 2.01 -0.74 -4.61 115.64 111.21 1bbj s THR 102 Ca 0.00 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 1bbj s THR 102 Cb 0.00 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1bbj s THR 102 CO 0.00 0.18 0.07 -0.13 -0.69 0.00 0.00 174.62 174.05 1bbj s ARG 103 N 1.19 3.90 -0.18 4.92 3.00 -0.23 -0.38 118.95 131.17 1bbj s ARG 103 Ca -0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 55.73 55.27 1bbj s ARG 103 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.56 1bbj s ARG 103 CO -0.02 0.15 -0.13 -1.17 0.00 0.00 0.00 175.30 174.13 1bbj s LEU 104 N 0.72 2.53 -0.21 2.53 2.96 0.53 -1.95 118.68 125.79 1bbj s LEU 104 Ca 0.04 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1bbj s LEU 104 Cb -0.13 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1bbj s LEU 104 CO 0.02 0.03 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.37 1bbj s GLU 105 N 1.17 3.56 -0.33 1.98 2.12 0.44 -1.65 118.70 125.99 1bbj s GLU 105 Ca 0.01 -0.55 -0.24 0.00 0.36 0.00 0.00 54.97 54.56 1bbj s GLU 105 Cb -0.14 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.18 1bbj s GLU 105 CO -0.05 -0.04 0.82 0.96 -0.54 0.00 0.00 175.26 176.40 1bbj s ILE 106 N 1.14 4.73 0.38 -3.70 -5.25 -1.26 -2.02 121.20 115.22 1bbj s ILE 106 Ca 0.02 1.11 -0.27 0.00 -0.99 0.00 0.00 60.65 60.52 1bbj s ILE 106 Cb -0.14 -4.20 -0.10 0.00 2.95 0.00 0.00 42.46 40.96 1bbj s ILE 106 CO 0.01 -0.36 1.41 -0.75 -1.79 0.00 0.00 174.94 173.46 1bbj s LYS 107 N 3.10 4.07 0.19 0.37 2.20 -0.62 -4.88 119.74 124.16 1bbj s LYS 107 Ca 0.33 2.40 0.03 0.00 -0.36 0.00 0.00 55.97 58.38 1bbj s LYS 107 Cb -0.13 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.23 1bbj s LYS 107 CO 0.15 -0.50 -0.02 0.50 -0.36 0.00 0.00 175.35 175.12 1bbj s ARG 108 N -2.11 1.19 0.35 4.03 3.52 -1.26 -3.91 118.95 120.76 1bbj s ARG 108 Ca 0.54 -1.58 -0.07 0.00 -0.13 0.00 0.00 55.73 54.50 1bbj s ARG 108 Cb -0.43 -0.47 -0.05 0.00 -1.56 0.00 0.00 34.95 32.43 1bbj s ARG 108 CO 0.58 -0.08 0.65 0.00 -0.81 0.00 0.00 175.30 175.64 1bbj s ALA 109 N -3.50 3.51 0.43 6.12 0.00 -1.26 -4.96 121.76 122.10 1bbj s ALA 109 Ca 0.24 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.55 1bbj s ALA 109 Cb 0.05 -2.46 -0.14 0.00 0.00 0.00 0.00 23.12 20.57 1bbj s ALA 109 CO 0.05 0.08 0.18 -0.25 0.00 0.00 0.00 175.76 175.82 1bbj n ASP 110 N -1.24 -2.47 -3.78 0.00 9.92 -1.26 -4.94 116.55 112.79 1bbj n ASP 110 Ca -0.00 0.80 -0.13 0.00 -0.53 0.00 0.00 54.79 54.93 1bbj n ASP 110 Cb 0.54 -0.94 -0.11 0.00 -0.64 0.00 0.00 41.12 39.97 1bbj n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bbj s ALA 111 N -1.68 -0.71 -0.08 2.24 0.00 -1.08 -4.95 121.76 115.50 1bbj s ALA 111 Ca 0.60 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 53.23 1bbj s ALA 111 Cb -0.60 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1bbj s ALA 111 CO 0.62 -0.15 0.20 0.00 0.00 0.00 0.00 175.76 176.43 1bbj s ALA 112 N -0.02 3.85 0.60 0.00 0.00 -1.26 -2.18 121.76 122.75 1bbj s ALA 112 Ca -0.02 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 1bbj s ALA 112 Cb -0.02 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1bbj s ALA 112 CO 0.01 0.60 1.26 -1.25 0.00 0.00 0.00 175.76 176.38 1bbj s PRO 113 N -1.14 2.87 -0.28 0.00 0.04 -1.26 -4.59 135.00 130.64 1bbj s PRO 113 Ca 0.18 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 1bbj s PRO 113 Cb -0.13 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.48 1bbj s PRO 113 CO 0.07 -1.32 -0.03 0.99 0.04 0.00 0.00 177.00 176.75 1bbj s THR 114 N -1.46 2.84 -0.14 1.26 2.01 -0.91 -4.90 115.64 114.34 1bbj s THR 114 Ca 0.78 -1.33 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1bbj s THR 114 Cb -0.35 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1bbj s THR 114 CO 0.38 -0.02 0.04 -0.69 -0.69 0.00 0.00 174.62 173.64 1bbj s VAL 115 N 1.25 4.58 0.16 3.82 1.01 -1.26 -1.48 120.40 128.48 1bbj s VAL 115 Ca -0.04 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.90 1bbj s VAL 115 Cb -0.19 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1bbj s VAL 115 CO -0.02 0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 175.05 1bbj s PHE 116 N -0.25 1.98 -0.01 5.22 0.40 -0.25 -4.96 117.98 120.11 1bbj s PHE 116 Ca 0.07 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1bbj s PHE 116 Cb -0.12 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.40 1bbj s PHE 116 CO 0.02 0.36 -0.12 -1.50 0.70 0.00 0.00 175.22 174.68 1bbj s ILE 117 N -1.77 0.96 -0.11 0.64 2.07 -1.26 -0.88 121.20 120.85 1bbj s ILE 117 Ca 0.16 -0.52 0.03 0.00 -1.41 0.00 0.00 60.65 58.91 1bbj s ILE 117 Cb -0.07 -0.81 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1bbj s ILE 117 CO 0.07 0.27 -0.22 -0.36 -1.91 0.00 0.00 174.94 172.80 1bbj s PHE 118 N -0.27 2.50 0.59 3.50 0.08 -0.35 -5.02 117.98 119.01 1bbj s PHE 118 Ca 0.04 -1.12 -0.14 0.00 0.12 0.00 0.00 56.93 55.83 1bbj s PHE 118 Cb -0.05 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1bbj s PHE 118 CO -0.00 -0.49 1.03 -1.25 -0.10 0.00 0.00 175.22 174.40 1bbj s PRO 119 N 0.59 3.55 0.09 0.24 0.04 -1.26 -2.77 135.00 135.48 1bbj s PRO 119 Ca -0.13 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 61.55 1bbj s PRO 119 Cb -0.17 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1bbj s PRO 119 CO 0.04 -0.61 1.57 -1.25 0.04 0.00 0.00 177.00 176.79 1bbj s PRO 120 N -4.55 4.23 0.38 0.56 0.04 -1.24 -4.90 135.00 129.52 1bbj s PRO 120 Ca 0.59 2.26 -0.27 0.00 0.04 0.00 0.00 61.00 63.62 1bbj s PRO 120 Cb -0.12 -3.44 -0.10 0.00 0.04 0.00 0.00 34.50 30.88 1bbj s PRO 120 CO 0.43 -0.65 1.35 -1.54 0.04 0.00 0.00 177.00 176.63 1bbj s SER 121 N 1.87 6.41 0.22 6.66 1.04 -1.26 -4.87 113.70 123.77 1bbj s SER 121 Ca 0.70 2.77 -0.09 0.00 0.48 0.00 0.00 55.95 59.81 1bbj s SER 121 Cb -0.39 -2.65 0.21 0.00 0.10 0.00 0.00 66.02 63.29 1bbj s SER 121 CO 0.31 -0.79 1.87 0.44 0.98 0.00 0.00 173.24 176.05 1bbj h ASP 122 N 2.91 0.86 -0.94 7.02 3.32 -1.99 -1.76 116.42 125.85 1bbj h ASP 122 Ca -0.50 -0.01 0.20 0.00 0.02 0.00 0.00 57.03 56.74 1bbj h ASP 122 Cb 1.24 -0.20 -0.11 0.00 0.22 0.00 0.00 39.33 40.48 1bbj h ASP 122 CO 0.64 0.60 0.51 -0.08 -1.72 0.00 0.00 179.24 179.19 1bbj h GLU 123 N 1.01 0.59 -0.21 3.56 4.81 -1.97 0.35 114.58 122.72 1bbj h GLU 123 Ca 0.31 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1bbj h GLU 123 Cb -0.04 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1bbj h GLU 123 CO -0.09 0.39 -0.25 0.37 -0.73 0.00 0.00 179.01 178.70 1bbj h GLN 124 N 0.61 0.55 -0.95 1.92 4.15 -1.67 -3.06 115.11 116.66 1bbj h GLN 124 Ca 0.56 -0.30 0.10 0.00 0.77 0.00 0.00 58.65 59.77 1bbj h GLN 124 Cb 0.94 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.57 1bbj h GLN 124 CO -0.43 0.89 0.61 -0.07 -1.93 0.00 0.00 178.83 177.90 1bbj h LEU 125 N 0.23 0.89 -0.11 -2.39 3.38 0.34 0.14 115.31 117.78 1bbj h LEU 125 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1bbj h LEU 125 Cb 0.81 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1bbj h LEU 125 CO 0.06 0.52 0.00 0.29 0.09 0.00 0.00 178.44 179.40 1bbj n LYS 126 N -4.55 0.74 -0.02 1.13 4.01 -0.18 -1.81 118.16 117.48 1bbj n LYS 126 Ca 0.16 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.97 1bbj n LYS 126 Cb 0.30 -1.04 0.02 0.00 -0.51 0.00 0.00 35.03 33.79 1bbj n LYS 126 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1bbj n SER 127 N -0.43 1.76 0.00 4.39 7.64 0.49 -5.01 113.62 122.46 1bbj n SER 127 Ca 0.00 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.24 1bbj n SER 127 Cb 0.02 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bbj n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bbj n GLY 128 N -0.17 0.39 3.17 0.23 0.00 -0.75 -5.03 105.19 103.03 1bbj n GLY 128 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1bbj n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbj s THR 129 N -2.13 1.08 -0.10 2.61 2.01 -1.26 -0.66 115.64 117.19 1bbj s THR 129 Ca 0.00 -1.32 -0.02 0.00 0.31 0.00 0.00 61.69 60.66 1bbj s THR 129 Cb 0.00 -1.07 0.04 0.00 0.01 0.00 0.00 72.50 71.48 1bbj s THR 129 CO 0.00 -0.25 0.02 0.00 -0.69 0.00 0.00 174.62 173.70 1bbj s ALA 130 N -1.36 0.71 -0.19 7.40 0.00 0.21 -3.83 121.76 124.70 1bbj s ALA 130 Ca -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 1bbj s ALA 130 Cb -0.10 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1bbj s ALA 130 CO 0.02 -0.67 0.01 -1.12 0.00 0.00 0.00 175.76 174.01 1bbj s SER 131 N 1.97 5.06 -0.26 0.00 0.01 -1.26 -1.03 113.70 118.20 1bbj s SER 131 Ca 0.03 -0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.08 1bbj s SER 131 Cb -0.14 -1.86 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 1bbj s SER 131 CO -0.06 0.11 0.16 -0.69 0.41 0.00 0.00 173.24 173.17 1bbj s VAL 132 N 0.72 5.18 -0.08 3.43 1.01 -0.14 -3.67 120.40 126.85 1bbj s VAL 132 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1bbj s VAL 132 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1bbj s VAL 132 CO 0.02 0.31 -0.06 -0.69 0.00 0.00 0.00 175.10 174.68 1bbj s VAL 133 N 1.39 3.77 0.01 2.92 1.01 -1.11 -0.51 120.40 127.88 1bbj s VAL 133 Ca 0.07 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1bbj s VAL 133 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1bbj s VAL 133 CO 0.07 0.59 -0.25 0.00 0.00 0.00 0.00 175.10 175.51 1bbj s LEU 135 N -0.89 1.70 -0.54 0.00 2.96 -0.06 -1.60 118.68 120.24 1bbj s LEU 135 Ca 0.10 -0.61 -0.21 0.00 -0.22 0.00 0.00 54.13 53.19 1bbj s LEU 135 Cb -0.10 -1.03 0.06 0.00 0.50 0.00 0.00 46.19 45.62 1bbj s LEU 135 CO 0.00 -0.13 0.78 -0.76 -1.32 0.00 0.00 176.35 174.92 1bbj s LEU 136 N 1.56 4.62 -0.15 -0.68 1.02 -0.93 -1.09 118.68 123.03 1bbj s LEU 136 Ca 0.02 -0.74 -0.05 0.00 0.02 0.00 0.00 54.13 53.37 1bbj s LEU 136 Cb -0.14 -2.58 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 1bbj s LEU 136 CO -0.09 -1.08 0.04 0.21 0.02 0.00 0.00 176.35 175.45 1bbj s ASN 137 N 2.89 5.45 -0.60 2.29 2.47 -0.55 -0.81 114.94 126.09 1bbj s ASN 137 Ca 0.21 0.09 -0.13 0.00 0.42 0.00 0.00 52.86 53.45 1bbj s ASN 137 Cb -0.17 -1.82 0.02 0.00 -1.45 0.00 0.00 41.25 37.83 1bbj s ASN 137 CO 0.14 0.25 0.64 0.59 -3.72 0.00 0.00 177.10 175.00 1bbj n ASN 138 N 3.04 -6.81 -4.18 -4.21 5.03 -0.69 -2.15 115.26 105.29 1bbj n ASN 138 Ca -0.18 -0.07 -0.25 0.00 0.87 0.00 0.00 54.58 54.96 1bbj n ASN 138 Cb 0.53 -3.88 -0.09 0.00 -1.02 0.00 0.00 39.78 35.32 1bbj n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1bbj s PHE 139 N -2.55 1.80 -0.26 3.10 -0.71 -1.06 -4.49 117.98 113.80 1bbj s PHE 139 Ca 0.16 -1.23 -0.26 0.00 -1.04 0.00 0.00 56.93 54.56 1bbj s PHE 139 Cb -0.03 -1.16 0.12 0.00 -1.21 0.00 0.00 43.02 40.73 1bbj s PHE 139 CO 0.81 -0.25 1.00 -0.47 -1.34 0.00 0.00 175.22 174.97 1bbj s TYR 140 N -3.25 -0.49 1.30 3.49 6.14 -0.92 -0.19 117.35 123.43 1bbj s TYR 140 Ca 0.26 1.15 -0.22 0.00 0.64 0.00 0.00 57.07 58.91 1bbj s TYR 140 Cb 0.04 0.37 0.34 0.00 0.42 0.00 0.00 41.96 43.12 1bbj s TYR 140 CO 0.15 -0.26 0.78 -0.35 0.64 0.00 0.00 175.55 176.51 1bbj n PRO 141 N 2.07 -4.54 0.26 4.97 -0.04 -1.26 -2.63 135.00 133.83 1bbj n PRO 141 Ca -0.12 -1.31 0.16 0.00 -0.04 0.00 0.00 63.50 62.19 1bbj n PRO 141 Cb 0.56 -1.68 0.64 0.00 -0.04 0.00 0.00 33.50 32.97 1bbj n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1bbj h ARG 142 N 0.00 0.00 -6.06 0.54 2.43 -2.00 -3.42 114.38 105.87 1bbj h ARG 142 Ca -0.35 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.24 1bbj h ARG 142 Cb 1.18 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 1bbj h ARG 142 CO 0.21 0.00 0.78 -1.21 -1.51 0.00 0.00 179.97 178.24 1bbj s GLU 143 N -3.60 3.29 0.19 0.20 8.01 -1.26 -4.97 118.70 120.55 1bbj s GLU 143 Ca 0.02 -0.26 0.11 0.00 0.01 0.00 0.00 54.97 54.84 1bbj s GLU 143 Cb 0.09 -4.12 -0.04 0.00 -4.31 0.00 0.00 34.13 25.75 1bbj s GLU 143 CO 0.53 -1.78 -0.22 0.00 0.01 0.00 0.00 175.26 173.80 1bbj s ALA 144 N 4.67 2.41 -0.06 5.21 0.00 -1.26 -4.70 121.76 128.03 1bbj s ALA 144 Ca 0.33 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.72 1bbj s ALA 144 Cb -0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1bbj s ALA 144 CO 0.18 0.38 -0.20 -1.59 0.00 0.00 0.00 175.76 174.52 1bbj s LYS 145 N -2.72 2.27 -0.16 0.00 -2.85 -1.00 -4.98 119.74 110.30 1bbj s LYS 145 Ca 0.20 -0.73 -0.02 0.00 -1.00 0.00 0.00 55.97 54.42 1bbj s LYS 145 Cb -0.07 -1.88 -0.01 0.00 -2.06 0.00 0.00 37.83 33.80 1bbj s LYS 145 CO 0.09 0.25 -0.09 0.08 0.10 0.00 0.00 175.35 175.78 1bbj s VAL 146 N 0.11 3.25 -0.14 1.79 1.01 -1.26 -1.41 120.40 123.76 1bbj s VAL 146 Ca -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1bbj s VAL 146 Cb -0.14 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 1bbj s VAL 146 CO 0.04 0.49 -0.17 -1.10 0.00 0.00 0.00 175.10 174.36 1bbj s GLN 147 N 0.70 3.20 -0.18 2.72 -0.21 -0.39 -4.95 119.66 120.55 1bbj s GLN 147 Ca -0.05 -0.77 -0.20 0.00 0.02 0.00 0.00 55.36 54.36 1bbj s GLN 147 Cb -0.15 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 1bbj s GLN 147 CO 0.02 0.10 0.57 -1.58 -2.12 0.00 0.00 175.29 172.28 1bbj s TRP 148 N 0.60 3.40 -0.29 0.91 0.52 -1.25 -0.43 118.94 122.40 1bbj s TRP 148 Ca -0.10 0.88 -0.09 0.00 0.02 0.00 0.00 56.10 56.82 1bbj s TRP 148 Cb -0.16 -2.72 -0.02 0.00 -1.15 0.00 0.00 33.47 29.42 1bbj s TRP 148 CO 0.03 -0.09 0.13 0.15 0.02 0.00 0.00 176.95 177.19 1bbj s LYS 149 N 1.59 3.53 0.14 4.98 1.02 0.08 -2.10 119.74 128.98 1bbj s LYS 149 Ca 0.27 -0.58 0.12 0.00 0.02 0.00 0.00 55.97 55.80 1bbj s LYS 149 Cb -0.16 -3.51 -0.12 0.00 -0.52 0.00 0.00 37.83 33.53 1bbj s LYS 149 CO 0.11 -0.31 1.16 0.28 -0.92 0.00 0.00 175.35 175.67 1bbj h VAL 150 N 5.58 1.12 0.00 3.17 2.07 -1.57 0.34 116.25 126.96 1bbj h VAL 150 Ca -0.34 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.47 1bbj h VAL 150 Cb 1.16 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1bbj h VAL 150 CO 0.59 0.64 0.00 0.47 0.02 0.00 0.00 177.57 179.29 1bbj n ASP 151 N -3.19 0.00 -0.72 0.57 8.00 -1.18 -4.01 116.55 116.03 1bbj n ASP 151 Ca -0.03 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.45 1bbj n ASP 151 Cb 0.88 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.96 1bbj n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1bbj n ASN 152 N -1.42 -0.11 -4.59 -2.24 2.85 -1.26 -4.80 115.26 103.69 1bbj n ASN 152 Ca 0.00 -1.56 -0.40 0.00 -0.11 0.00 0.00 54.58 52.51 1bbj n ASN 152 Cb 0.00 -0.01 -0.08 0.00 1.24 0.00 0.00 39.78 40.93 1bbj n ASN 152 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bbj s ALA 153 N 0.00 3.54 -0.61 5.20 0.00 -1.26 -4.90 121.76 123.73 1bbj s ALA 153 Ca 0.04 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 1bbj s ALA 153 Cb 0.04 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1bbj s ALA 153 CO -0.02 -0.89 2.11 -1.17 0.00 0.00 0.00 175.76 175.80 1bbj s LEU 154 N 2.24 3.29 -0.40 0.00 2.96 -1.26 -1.95 118.68 123.55 1bbj s LEU 154 Ca 0.18 0.50 -0.27 0.00 -0.22 0.00 0.00 54.13 54.31 1bbj s LEU 154 Cb -0.16 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 1bbj s LEU 154 CO 0.11 -2.72 2.18 -1.10 -1.32 0.00 0.00 176.35 173.50 1bbj s GLN 155 N 7.64 2.68 -0.27 1.98 -1.52 -0.89 -4.96 119.66 124.32 1bbj s GLN 155 Ca 0.81 1.48 -0.07 0.00 -1.95 0.00 0.00 55.36 55.63 1bbj s GLN 155 Cb -0.14 -4.43 -0.01 0.00 -0.22 0.00 0.00 33.01 28.21 1bbj s GLN 155 CO 0.20 -2.63 0.07 0.45 -0.25 0.00 0.00 175.29 173.12 1bbj s SER 156 N 9.48 5.05 0.00 5.90 0.15 -1.26 -4.55 113.70 128.46 1bbj s SER 156 Ca 0.91 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1bbj s SER 156 Cb -0.22 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1bbj s SER 156 CO 0.29 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1bbj n GLY 157 N 4.88 1.57 1.80 9.45 0.00 -1.26 -5.02 105.19 116.62 1bbj n GLY 157 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 1bbj n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bbj n ASN 158 N 0.00 4.50 -4.00 1.61 6.94 -1.26 -4.98 115.26 118.07 1bbj n ASN 158 Ca 0.00 -3.76 -0.11 0.00 -0.02 0.00 0.00 54.58 50.69 1bbj n ASN 158 Cb 0.00 -0.69 -0.12 0.00 -2.36 0.00 0.00 39.78 36.62 1bbj n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1bbj s SER 159 N -2.43 0.47 -0.03 0.53 1.04 -1.26 -2.39 113.70 109.63 1bbj s SER 159 Ca 0.53 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.54 1bbj s SER 159 Cb 0.44 0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 1bbj s SER 159 CO 0.02 -0.22 -0.13 -1.10 0.98 0.00 0.00 173.24 172.79 1bbj s GLN 160 N -1.32 1.29 0.21 4.02 -0.21 -1.06 -4.98 119.66 117.61 1bbj s GLN 160 Ca -0.12 -0.45 0.05 0.00 0.02 0.00 0.00 55.36 54.86 1bbj s GLN 160 Cb -0.09 -1.17 -0.04 0.00 1.00 0.00 0.00 33.01 32.71 1bbj s GLN 160 CO -0.00 0.20 0.23 -1.21 -2.12 0.00 0.00 175.29 172.38 1bbj s GLU 161 N 0.03 3.09 -0.05 2.91 8.01 -1.26 -1.78 118.70 129.65 1bbj s GLU 161 Ca -0.01 -0.89 -0.11 0.00 0.01 0.00 0.00 54.97 53.97 1bbj s GLU 161 Cb -0.09 -2.71 0.02 0.00 -4.31 0.00 0.00 34.13 27.05 1bbj s GLU 161 CO 0.01 0.44 0.26 -1.54 0.01 0.00 0.00 175.26 174.44 1bbj s SER 162 N -3.60 -0.18 -0.04 -0.19 1.04 -0.27 -4.95 113.70 105.51 1bbj s SER 162 Ca 0.33 0.21 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1bbj s SER 162 Cb -0.09 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1bbj s SER 162 CO 0.26 -0.29 -0.24 -0.69 0.98 0.00 0.00 173.24 173.26 1bbj s VAL 163 N -0.75 1.90 1.04 5.02 1.01 -1.26 -0.85 120.40 126.52 1bbj s VAL 163 Ca -0.08 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1bbj s VAL 163 Cb -0.04 -1.60 0.21 0.00 0.00 0.00 0.00 36.38 34.95 1bbj s VAL 163 CO 0.02 0.54 1.11 0.42 0.00 0.00 0.00 175.10 177.19 1bbj s THR 164 N -0.33 1.90 0.69 3.92 -4.23 -1.11 -5.00 115.64 111.48 1bbj s THR 164 Ca 0.03 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1bbj s THR 164 Cb -0.11 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1bbj s THR 164 CO 0.01 0.00 1.07 -1.61 -0.54 0.00 0.00 174.62 173.55 1bbj s GLU 165 N -5.17 2.87 0.57 3.99 0.41 -1.26 -4.81 118.70 115.30 1bbj s GLU 165 Ca 0.67 1.09 -0.21 0.00 -0.41 0.00 0.00 54.97 56.11 1bbj s GLU 165 Cb -0.15 -1.98 -0.04 0.00 -1.78 0.00 0.00 34.13 30.18 1bbj s GLU 165 CO 0.56 -1.16 1.31 -0.65 -0.49 0.00 0.00 175.26 174.83 1bbj s GLN 166 N -4.72 3.04 0.15 1.61 -0.21 -1.26 -4.76 119.66 113.50 1bbj s GLN 166 Ca 0.61 2.11 -0.30 0.00 0.02 0.00 0.00 55.36 57.80 1bbj s GLN 166 Cb -0.16 -2.14 -0.07 0.00 1.00 0.00 0.00 33.01 31.65 1bbj s GLN 166 CO 0.50 -1.23 1.00 0.34 -2.12 0.00 0.00 175.29 173.78 1bbj s ASP 167 N -1.16 7.44 0.24 5.90 2.15 -0.42 -4.85 116.67 125.98 1bbj s ASP 167 Ca 0.74 1.91 0.09 0.00 0.43 0.00 0.00 52.55 55.72 1bbj s ASP 167 Cb -0.38 -2.60 0.50 0.00 -0.30 0.00 0.00 42.92 40.14 1bbj s ASP 167 CO 0.43 -0.09 1.14 -1.54 -0.17 0.00 0.00 175.17 174.94 1bbj n SER 168 N 2.49 0.24 0.02 -0.34 3.41 -1.26 -0.90 113.62 117.28 1bbj n SER 168 Ca 0.02 0.47 -0.01 0.00 -0.26 0.00 0.00 58.87 59.09 1bbj n SER 168 Cb 0.48 -0.42 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1bbj n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bbj n LYS 169 N -1.84 0.05 0.00 4.33 5.02 -1.26 -3.50 118.16 120.96 1bbj n LYS 169 Ca -0.01 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1bbj n LYS 169 Cb 0.32 -0.59 0.40 0.00 -0.02 0.00 0.00 35.03 35.14 1bbj n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1bbj n ASP 170 N -3.47 0.33 -3.44 4.39 5.68 -1.21 -4.86 116.55 113.97 1bbj n ASP 170 Ca -0.02 -0.01 -0.17 0.00 -0.50 0.00 0.00 54.79 54.08 1bbj n ASP 170 Cb 0.17 -0.03 0.08 0.00 -1.14 0.00 0.00 41.12 40.21 1bbj n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1bbj n SER 171 N -1.46 -2.43 -4.22 -1.12 7.64 -0.08 -4.95 113.62 106.99 1bbj n SER 171 Ca 0.06 -0.65 -0.17 0.00 1.01 0.00 0.00 58.87 59.12 1bbj n SER 171 Cb 0.33 -5.01 -0.11 0.00 -1.01 0.00 0.00 64.21 58.41 1bbj n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1bbj s THR 172 N -3.40 1.23 0.42 0.44 -4.23 -1.26 -4.74 115.64 104.11 1bbj s THR 172 Ca 0.05 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 1bbj s THR 172 Cb -0.01 -1.47 0.08 0.00 1.34 0.00 0.00 72.50 72.44 1bbj s THR 172 CO 0.74 -0.44 0.58 -1.22 -0.54 0.00 0.00 174.62 173.75 1bbj n TYR 173 N 0.57 -2.84 -3.56 3.99 4.01 0.73 -1.31 117.16 118.75 1bbj n TYR 173 Ca -0.16 -1.24 -0.11 0.00 -0.16 0.00 0.00 57.90 56.24 1bbj n TYR 173 Cb 0.57 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 1bbj n TYR 173 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1bbj s SER 174 N -3.47 -0.38 -0.19 7.72 0.01 -1.26 -1.70 113.70 114.43 1bbj s SER 174 Ca 0.41 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 57.31 1bbj s SER 174 Cb -0.03 0.55 0.05 0.00 0.21 0.00 0.00 66.02 66.80 1bbj s SER 174 CO 0.27 -0.94 0.49 -0.22 0.41 0.00 0.00 173.24 173.24 1bbj s LEU 175 N -2.79 0.02 0.20 2.44 0.20 0.01 -2.74 118.68 116.01 1bbj s LEU 175 Ca 0.03 1.00 0.09 0.00 0.69 0.00 0.00 54.13 55.95 1bbj s LEU 175 Cb 0.00 1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 47.38 1bbj s LEU 175 CO -0.11 -0.18 -0.11 -0.94 -0.29 0.00 0.00 176.35 174.73 1bbj s SER 176 N 0.57 4.16 -0.15 3.68 1.04 -0.03 -2.19 113.70 120.78 1bbj s SER 176 Ca -0.03 -0.64 -0.04 0.00 0.48 0.00 0.00 55.95 55.72 1bbj s SER 176 Cb -0.04 -0.66 0.06 0.00 0.10 0.00 0.00 66.02 65.47 1bbj s SER 176 CO -0.03 0.09 0.08 -0.55 0.98 0.00 0.00 173.24 173.81 1bbj s SER 177 N -2.93 2.23 -0.13 7.02 0.15 -0.63 -1.11 113.70 118.30 1bbj s SER 177 Ca 0.25 -0.53 -0.14 0.00 0.70 0.00 0.00 55.95 56.23 1bbj s SER 177 Cb -0.08 -0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 1bbj s SER 177 CO 0.15 -0.33 0.33 -0.89 1.20 0.00 0.00 173.24 173.70 1bbj s THR 178 N 2.12 5.26 -0.14 6.45 2.01 -0.74 -0.54 115.64 130.07 1bbj s THR 178 Ca 0.02 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.63 1bbj s THR 178 Cb -0.16 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1bbj s THR 178 CO -0.08 0.41 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.02 1bbj s LEU 179 N 0.23 3.39 -0.12 4.42 2.96 0.33 -2.56 118.68 127.33 1bbj s LEU 179 Ca 0.19 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1bbj s LEU 179 Cb -0.14 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1bbj s LEU 179 CO 0.06 0.23 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.22 1bbj s THR 180 N -0.02 1.97 0.04 3.68 2.01 -1.00 -0.97 115.64 121.35 1bbj s THR 180 Ca 0.02 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1bbj s THR 180 Cb -0.13 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 1bbj s THR 180 CO 0.02 0.54 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.67 1bbj s LEU 181 N 0.65 2.26 0.78 4.42 1.43 -0.20 -4.98 118.68 123.05 1bbj s LEU 181 Ca -0.12 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1bbj s LEU 181 Cb -0.16 -0.06 0.07 0.00 0.03 0.00 0.00 46.19 46.06 1bbj s LEU 181 CO 0.02 -0.25 1.16 -0.94 0.23 0.00 0.00 176.35 176.57 1bbj s SER 182 N -1.61 4.00 0.34 2.29 1.04 -1.26 0.67 113.70 119.16 1bbj s SER 182 Ca -0.11 2.20 0.07 0.00 0.48 0.00 0.00 55.95 58.59 1bbj s SER 182 Cb -0.09 -2.57 0.75 0.00 0.10 0.00 0.00 66.02 64.21 1bbj s SER 182 CO -0.00 -2.39 1.86 0.50 0.98 0.00 0.00 173.24 174.19 1bbj h LYS 183 N -0.80 0.75 0.00 4.02 3.64 -1.19 -2.21 116.57 120.78 1bbj h LYS 183 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1bbj h LYS 183 Cb 1.27 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1bbj h LYS 183 CO 0.48 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 178.16 1bbj n ALA 184 N -2.41 -0.21 -0.29 5.00 0.00 -1.26 0.35 120.51 121.69 1bbj n ALA 184 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.78 1bbj n ALA 184 Cb 0.44 0.17 0.43 0.00 0.00 0.00 0.00 19.45 20.49 1bbj n ALA 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bbj h ASP 185 N 0.00 0.57 0.56 0.00 3.32 -1.87 0.39 116.42 119.38 1bbj h ASP 185 Ca 0.00 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 1bbj h ASP 185 Cb 0.00 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1bbj h ASP 185 CO 0.00 0.23 -0.66 0.22 -1.72 0.00 0.00 179.24 177.31 1bbj h TYR 186 N 0.57 0.12 0.00 4.55 3.20 -1.09 -2.71 116.97 121.61 1bbj h TYR 186 Ca 0.50 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.32 1bbj h TYR 186 Cb 1.02 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1bbj h TYR 186 CO -0.00 0.72 -0.12 0.39 -1.64 0.00 0.00 178.16 177.50 1bbj n GLU 187 N -3.79 0.14 -0.71 1.82 1.02 0.16 -3.06 120.64 116.21 1bbj n GLU 187 Ca -0.02 0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 1bbj n GLU 187 Cb 0.65 -1.65 0.14 0.00 -0.02 0.00 0.00 31.44 30.56 1bbj n GLU 187 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1bbj n LYS 188 N -1.89 2.14 -3.76 3.49 2.85 -0.26 -4.88 118.16 115.86 1bbj n LYS 188 Ca 0.06 -1.88 -0.13 0.00 -1.05 0.00 0.00 58.31 55.31 1bbj n LYS 188 Cb 0.39 -1.78 -0.08 0.00 -0.65 0.00 0.00 35.03 32.90 1bbj n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1bbj s HIS 189 N -2.05 -0.16 -0.17 5.58 3.76 -1.17 -5.04 115.29 116.04 1bbj s HIS 189 Ca 0.35 0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 55.33 1bbj s HIS 189 Cb 0.29 0.09 -0.07 0.00 1.11 0.00 0.00 32.58 34.00 1bbj s HIS 189 CO 0.07 -0.41 -0.29 1.63 -0.85 0.00 0.00 174.74 174.90 1bbj n LYS 190 N 1.14 0.45 -2.65 1.40 5.02 -1.26 -4.27 118.16 117.99 1bbj n LYS 190 Ca -0.21 0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 1bbj n LYS 190 Cb 0.57 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.28 1bbj n LYS 190 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bbj s VAL 191 N -2.59 4.69 -0.14 -0.18 1.01 -1.26 -1.19 120.40 120.74 1bbj s VAL 191 Ca -0.27 1.98 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 1bbj s VAL 191 Cb 0.07 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1bbj s VAL 191 CO 0.37 -0.04 -0.10 -0.31 0.00 0.00 0.00 175.10 175.02 1bbj s TYR 192 N 2.36 2.88 -0.04 5.22 2.02 -0.03 -3.09 117.35 126.67 1bbj s TYR 192 Ca 0.48 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1bbj s TYR 192 Cb -0.18 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1bbj s TYR 192 CO 0.15 -0.19 -0.04 0.00 -1.57 0.00 0.00 175.55 173.90 1bbj s ALA 193 N 0.45 0.61 -0.32 3.71 0.00 0.12 -2.31 121.76 124.01 1bbj s ALA 193 Ca -0.08 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 1bbj s ALA 193 Cb -0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1bbj s ALA 193 CO 0.04 0.01 0.19 0.00 0.00 0.00 0.00 175.76 176.01 1bbj s GLU 195 N 1.67 2.77 -0.16 0.00 2.12 0.43 -0.74 118.70 124.80 1bbj s GLU 195 Ca 0.05 -0.99 -0.07 0.00 0.36 0.00 0.00 54.97 54.33 1bbj s GLU 195 Cb -0.17 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 1bbj s GLU 195 CO 0.09 -0.33 0.06 0.08 -0.54 0.00 0.00 175.26 174.62 1bbj s VAL 196 N 1.24 4.81 0.13 3.70 1.01 -0.45 -1.26 120.40 129.57 1bbj s VAL 196 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1bbj s VAL 196 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1bbj s VAL 196 CO -0.10 0.50 0.00 -0.89 0.00 0.00 0.00 175.10 174.61 1bbj s THR 197 N 0.04 3.89 -0.29 3.92 2.01 -0.50 -3.11 115.64 121.60 1bbj s THR 197 Ca 0.06 -1.18 -0.21 0.00 0.31 0.00 0.00 61.69 60.68 1bbj s THR 197 Cb -0.12 -2.90 0.17 0.00 0.01 0.00 0.00 72.50 69.66 1bbj s THR 197 CO 0.01 0.02 1.18 -2.28 -0.69 0.00 0.00 174.62 172.86 1bbj s HIS 198 N -1.48 -0.30 0.18 4.92 2.46 -1.26 -2.36 115.29 117.45 1bbj s HIS 198 Ca 0.26 0.65 -0.31 0.00 0.47 0.00 0.00 55.06 56.13 1bbj s HIS 198 Cb -0.11 0.32 -0.10 0.00 -0.13 0.00 0.00 32.58 32.56 1bbj s HIS 198 CO 0.18 -0.14 1.52 1.14 -2.47 0.00 0.00 174.74 174.97 1bbj s GLN 199 N 0.65 4.23 0.00 2.88 -2.07 -1.26 -0.88 119.66 123.22 1bbj s GLN 199 Ca -0.01 2.33 0.00 0.00 -1.82 0.00 0.00 55.36 55.86 1bbj s GLN 199 Cb -0.04 -3.15 0.00 0.00 -1.09 0.00 0.00 33.01 28.73 1bbj s GLN 199 CO -0.12 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.71 1bbj n GLY 200 N 3.31 0.73 3.80 2.60 0.00 -1.26 -4.81 105.19 109.55 1bbj n GLY 200 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1bbj n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bbj s LEU 201 N 0.00 4.30 0.14 0.99 1.43 -0.06 -4.55 118.68 120.93 1bbj s LEU 201 Ca 0.00 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1bbj s LEU 201 Cb 0.00 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 1bbj s LEU 201 CO 0.00 0.27 1.56 0.77 0.23 0.00 0.00 176.35 179.18 1bbj h SER 202 N 5.85 0.83 -3.28 2.29 4.64 -1.96 -3.45 113.55 118.48 1bbj h SER 202 Ca -0.47 -0.35 -0.16 0.00 -0.47 0.00 0.00 61.79 60.34 1bbj h SER 202 Cb 1.19 -0.23 -0.28 0.00 -0.31 0.00 0.00 62.40 62.77 1bbj h SER 202 CO 0.68 0.98 -0.39 -0.44 -0.87 0.00 0.00 176.83 176.79 1bbj s SER 203 N -6.41 -0.38 0.12 4.97 0.01 -1.26 -5.12 113.70 105.62 1bbj s SER 203 Ca -0.12 0.71 -0.35 0.00 1.31 0.00 0.00 55.95 57.49 1bbj s SER 203 Cb 0.11 0.60 -0.15 0.00 0.21 0.00 0.00 66.02 66.78 1bbj s SER 203 CO 0.82 -0.18 1.49 -0.81 0.41 0.00 0.00 173.24 174.97 1bbj n PRO 204 N 4.27 1.73 -3.40 12.44 -0.04 -1.26 -4.97 135.00 143.76 1bbj n PRO 204 Ca -0.24 0.62 -0.34 0.00 -0.04 0.00 0.00 63.50 63.51 1bbj n PRO 204 Cb 0.54 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 1bbj n PRO 204 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bbj s VAL 205 N 0.83 4.91 -0.02 0.52 0.11 -1.18 -4.94 120.40 120.62 1bbj s VAL 205 Ca 0.82 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 60.50 1bbj s VAL 205 Cb -0.80 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 30.40 1bbj s VAL 205 CO 0.42 0.09 0.00 -0.89 -3.33 0.00 0.00 175.10 171.39 1bbj s THR 206 N -1.64 0.12 0.07 5.04 2.01 -1.26 -1.35 115.64 118.64 1bbj s THR 206 Ca 0.42 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.55 1bbj s THR 206 Cb -0.13 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1bbj s THR 206 CO 0.20 0.11 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.59 1bbj s LYS 207 N 0.76 2.22 0.15 4.92 3.01 0.09 -4.96 119.74 125.93 1bbj s LYS 207 Ca -0.07 -0.95 -0.19 0.00 -1.01 0.00 0.00 55.97 53.75 1bbj s LYS 207 Cb -0.10 -2.33 0.05 0.00 -1.01 0.00 0.00 37.83 34.43 1bbj s LYS 207 CO -0.02 0.53 0.51 -1.54 0.51 0.00 0.00 175.35 175.34 1bbj s SER 208 N -1.92 -0.38 0.25 2.83 1.04 -1.26 -0.97 113.70 113.30 1bbj s SER 208 Ca 0.19 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 1bbj s SER 208 Cb -0.11 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1bbj s SER 208 CO 0.11 -0.94 0.32 0.72 0.98 0.00 0.00 173.24 174.43 1bbj s PHE 209 N -3.79 0.91 -0.04 5.02 -0.71 -0.98 -4.97 117.98 113.43 1bbj s PHE 209 Ca 0.03 -1.16 0.05 0.00 -1.04 0.00 0.00 56.93 54.82 1bbj s PHE 209 Cb 0.00 -0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.57 1bbj s PHE 209 CO -0.11 -0.86 -0.21 -0.80 -1.34 0.00 0.00 175.22 171.90 1bbj s ASN 210 N -3.14 2.51 0.00 1.98 -0.87 -1.25 -0.85 114.94 113.32 1bbj s ASN 210 Ca 0.32 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 1bbj s ASN 210 Cb 0.03 -0.57 0.00 0.00 -0.02 0.00 0.00 41.25 40.69 1bbj s ASN 210 CO 0.14 0.21 0.00 0.54 -2.57 0.00 0.00 177.10 175.42