#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj n ARG 2 N 0.00 2.15 -1.87 0.00 1.74 -1.26 -4.96 116.66 112.46 2otj n ARG 2 Ca 0.00 0.76 -0.31 0.00 -0.77 0.00 0.00 57.85 57.53 2otj n ARG 2 Cb 0.00 -2.41 0.02 0.00 -1.02 0.00 0.00 32.46 29.05 2otj n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2otj s SER 3 N 0.12 5.95 0.37 0.55 1.04 -1.26 -4.93 113.70 115.54 2otj s SER 3 Ca 0.63 1.56 0.04 0.00 0.48 0.00 0.00 55.95 58.66 2otj s SER 3 Cb -0.60 -2.49 0.70 0.00 0.10 0.00 0.00 66.02 63.72 2otj s SER 3 CO 0.54 -1.06 2.02 0.00 0.98 0.00 0.00 173.24 175.72 2otj h ALA 4 N -0.18 1.58 -0.54 5.32 0.00 -2.03 -2.45 119.26 120.97 2otj h ALA 4 Ca -0.45 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.48 2otj h ALA 4 Cb 1.20 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2otj h ALA 4 CO 0.60 0.38 0.23 1.88 0.00 0.00 0.00 179.25 182.34 2otj h TYR 5 N 0.76 0.42 -0.32 0.00 0.99 -2.02 -1.68 116.97 115.14 2otj h TYR 5 Ca 0.21 0.02 0.09 0.00 2.00 0.00 0.00 58.73 61.05 2otj h TYR 5 Cb -0.07 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 37.53 2otj h TYR 5 CO 0.00 0.17 0.58 0.66 -0.00 0.00 0.00 178.16 179.57 2otj h SER 6 N 0.45 0.00 0.63 3.88 4.64 -1.81 0.20 113.55 121.54 2otj h SER 6 Ca 0.25 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.31 2otj h SER 6 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2otj h SER 6 CO -0.22 0.00 -1.20 1.88 -0.87 0.00 0.00 176.83 176.43 2otj h TYR 7 N 0.00 0.47 -0.10 4.77 -1.99 -1.42 -1.64 116.97 117.06 2otj h TYR 7 Ca 0.15 -0.33 -0.02 0.00 2.00 0.00 0.00 58.73 60.52 2otj h TYR 7 Cb 1.31 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 40.02 2otj h TYR 7 CO 0.00 1.25 -0.04 0.82 -0.00 0.00 0.00 178.16 180.19 2otj h ILE 8 N 0.08 1.31 0.10 -2.88 2.04 -0.70 -2.34 117.51 115.12 2otj h ILE 8 Ca -0.12 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.74 2otj h ILE 8 Cb 1.92 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 39.76 2otj h ILE 8 CO 0.20 0.29 -0.28 -0.09 0.00 0.00 0.00 178.15 178.27 2otj h ARG 9 N -0.16 -0.46 -0.39 2.37 2.43 -1.48 -1.72 114.38 114.96 2otj h ARG 9 Ca 0.02 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2otj h ARG 9 Cb 0.47 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 2otj h ARG 9 CO 0.01 -0.31 0.27 0.22 -1.51 0.00 0.00 179.97 178.65 2otj h ASP 10 N -0.48 0.13 -0.21 -3.80 1.82 -1.31 -1.29 116.42 111.29 2otj h ASP 10 Ca 0.04 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.57 2otj h ASP 10 Cb 0.52 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 2otj h ASP 10 CO -0.18 0.08 -0.28 0.00 -1.61 0.00 0.00 179.24 177.25 2otj h ALA 11 N 1.80 0.32 0.00 -0.78 0.00 -0.77 -3.10 119.26 116.73 2otj h ALA 11 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2otj h ALA 11 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2otj h ALA 11 CO -0.02 0.32 0.00 0.91 0.00 0.00 0.00 179.25 180.46 2otj n TRP 12 N -4.35 0.00 0.16 0.00 7.02 -0.52 -2.35 117.44 117.41 2otj n TRP 12 Ca -0.05 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.45 2otj n TRP 12 Cb 0.46 -0.20 0.26 0.00 -2.42 0.00 0.00 31.31 29.41 2otj n TRP 12 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2otj h GLU 13 N 0.00 0.00 -2.31 -0.99 5.08 -1.38 -3.34 114.58 111.64 2otj h GLU 13 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2otj h GLU 13 Cb 0.12 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.97 2otj h GLU 13 CO 0.00 0.50 -0.92 0.09 -1.00 0.00 0.00 179.01 177.68 2otj n ASN 14 N -3.73 0.78 0.00 1.42 3.02 -0.99 -4.97 115.26 110.80 2otj n ASN 14 Ca -0.01 -2.74 0.04 0.00 -0.03 0.00 0.00 54.58 51.84 2otj n ASN 14 Cb 0.55 -0.63 0.20 0.00 -0.61 0.00 0.00 39.78 39.30 2otj n ASN 14 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2otj n PRO 15 N 1.95 0.19 0.00 3.52 -0.04 -1.25 -2.00 135.00 137.37 2otj n PRO 15 Ca 0.25 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2otj n PRO 15 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 2otj n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2otj n GLY 16 N -0.59 -1.05 3.94 0.55 0.00 -1.26 -3.81 105.19 102.97 2otj n GLY 16 Ca 0.05 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 2otj n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2otj s ASP 17 N -4.31 5.06 0.85 1.61 1.01 -0.85 -4.63 116.67 115.40 2otj s ASP 17 Ca -0.04 -0.84 0.00 0.00 0.71 0.00 0.00 52.55 52.38 2otj s ASP 17 Cb 0.14 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.92 2otj s ASP 17 CO 0.89 -0.93 0.00 0.61 0.21 0.00 0.00 175.17 175.94 2otj n GLY 18 N -1.81 0.59 0.22 0.21 0.00 -1.26 -2.66 105.19 100.49 2otj n GLY 18 Ca 0.06 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 2otj n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2otj h GLN 19 N 0.00 0.53 -0.84 1.61 4.20 -1.97 -2.96 115.11 115.68 2otj h GLN 19 Ca 0.00 -0.27 0.14 0.00 0.06 0.00 0.00 58.65 58.58 2otj h GLN 19 Cb 0.00 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 2otj h GLN 19 CO 0.00 0.85 0.55 1.25 -0.67 0.00 0.00 178.83 180.81 2otj h LEU 20 N 0.43 0.57 -0.36 1.46 5.85 -1.91 0.13 115.31 121.48 2otj h LEU 20 Ca 0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2otj h LEU 20 Cb 0.92 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2otj h LEU 20 CO 0.08 0.29 0.23 0.00 -0.34 0.00 0.00 178.44 178.71 2otj h ALA 21 N 1.61 0.46 -0.35 1.25 0.00 -1.33 0.39 119.26 121.30 2otj h ALA 21 Ca 0.41 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 2otj h ALA 21 Cb 0.74 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2otj h ALA 21 CO -0.17 -0.07 -0.36 1.49 0.00 0.00 0.00 179.25 180.15 2otj h GLU 22 N 0.49 0.86 -0.37 0.00 4.81 -1.17 -1.34 114.58 117.86 2otj h GLU 22 Ca 0.13 -0.46 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 2otj h GLU 22 Cb -0.04 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 2otj h GLU 22 CO -0.03 1.10 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.28 2otj h LEU 23 N 0.65 -0.15 -0.33 1.64 3.38 -0.47 -1.28 115.31 118.75 2otj h LEU 23 Ca 0.05 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2otj h LEU 23 Cb 0.95 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2otj h LEU 23 CO 0.09 -0.04 0.07 1.56 0.09 0.00 0.00 178.44 180.21 2otj h GLN 24 N 0.10 0.54 -0.25 1.13 1.08 -0.83 0.13 115.11 117.01 2otj h GLN 24 Ca 0.18 -0.13 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2otj h GLN 24 Cb 0.25 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2otj h GLN 24 CO -0.31 0.60 0.19 2.35 -0.95 0.00 0.00 178.83 180.72 2otj h TRP 25 N 0.38 0.00 0.00 2.96 7.01 -0.71 -1.59 115.95 124.00 2otj h TRP 25 Ca 0.10 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.04 2otj h TRP 25 Cb 0.32 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 2otj h TRP 25 CO 0.02 0.00 -0.46 1.96 -2.79 0.00 0.00 178.44 177.17 2otj h GLN 26 N 0.00 0.00 -0.25 2.65 4.20 -0.89 -3.39 115.11 117.43 2otj h GLN 26 Ca 0.12 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.88 2otj h GLN 26 Cb 0.49 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 2otj h GLN 26 CO -0.00 0.56 -0.12 0.00 -0.67 0.00 0.00 178.83 178.60 2otj h ARG 27 N -1.00 -0.08 -0.64 1.46 3.08 -0.51 -2.38 114.38 114.32 2otj h ARG 27 Ca -0.10 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.14 2otj h ARG 27 Cb 0.75 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2otj h ARG 27 CO -0.06 -0.05 0.56 1.96 -1.07 0.00 0.00 179.97 181.30 2otj h GLN 28 N -0.08 0.00 -0.65 0.04 4.20 -1.52 0.32 115.11 117.42 2otj h GLN 28 Ca 0.13 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 2otj h GLN 28 Cb 0.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2otj h GLN 28 CO -0.31 0.00 0.10 1.96 -0.67 0.00 0.00 178.83 179.91 2otj h GLN 29 N 0.00 1.09 0.00 1.46 4.20 -1.62 0.53 115.11 120.77 2otj h GLN 29 Ca 0.30 -0.30 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 2otj h GLN 29 Cb 1.41 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 29.07 2otj h GLN 29 CO -0.00 1.01 -0.98 0.93 -0.67 0.00 0.00 178.83 179.11 2otj h GLU 30 N 1.01 0.50 0.05 1.46 5.08 -0.58 -3.21 114.58 118.88 2otj h GLU 30 Ca 0.20 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2otj h GLU 30 Cb 0.45 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2otj h GLU 30 CO 0.01 1.18 -0.02 -1.49 -1.00 0.00 0.00 179.01 177.69 2otj h TRP 31 N 0.28 -0.06 -0.37 4.33 4.06 -0.21 -2.26 115.95 121.72 2otj h TRP 31 Ca -0.10 -0.00 0.11 0.00 2.06 0.00 0.00 58.89 60.96 2otj h TRP 31 Cb 1.62 0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.79 2otj h TRP 31 CO 0.07 0.09 0.36 0.00 -3.56 0.00 0.00 178.44 175.40 2otj h ARG 32 N -0.20 0.00 -0.30 0.49 3.08 -0.04 0.60 114.38 118.01 2otj h ARG 32 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2otj h ARG 32 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2otj h ARG 32 CO 0.01 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.00 2otj n ASN 33 N -3.88 2.38 -4.96 7.04 3.02 -0.88 -4.93 115.26 113.06 2otj n ASN 33 Ca 0.06 -1.86 -0.21 0.00 -0.03 0.00 0.00 54.58 52.54 2otj n ASN 33 Cb 0.53 -0.19 0.08 0.00 -0.61 0.00 0.00 39.78 39.58 2otj n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2otj s GLU 34 N -1.61 2.10 0.01 3.52 2.02 0.21 -5.07 118.70 119.87 2otj s GLU 34 Ca 0.34 -1.61 -0.00 0.00 0.02 0.00 0.00 54.97 53.72 2otj s GLU 34 Cb 0.19 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2otj s GLU 34 CO 0.27 -1.06 0.01 0.41 0.02 0.00 0.00 175.26 174.91 2otj n GLY 35 N -2.41 -1.59 0.12 -1.39 0.00 -1.26 -4.98 105.19 93.68 2otj n GLY 35 Ca 0.17 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 2otj n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj h ALA 36 N -2.00 0.45 -3.15 4.61 0.00 -1.91 -3.43 119.26 113.84 2otj h ALA 36 Ca -0.00 -0.75 -0.50 0.00 0.00 0.00 0.00 54.91 53.65 2otj h ALA 36 Cb 0.01 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 17.33 2otj h ALA 36 CO 0.00 0.94 -0.76 0.08 0.00 0.00 0.00 179.25 179.51 2otj s VAL 37 N -3.12 0.27 -0.23 0.00 1.01 -1.26 -1.32 120.40 115.75 2otj s VAL 37 Ca -0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2otj s VAL 37 Cb 0.10 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2otj s VAL 37 CO 0.84 -0.30 -0.06 -1.61 0.00 0.00 0.00 175.10 173.96 2otj s GLU 38 N 1.97 3.14 0.23 2.72 0.41 -0.25 -4.95 118.70 121.98 2otj s GLU 38 Ca 0.01 -0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 53.50 2otj s GLU 38 Cb -0.17 -2.97 -0.09 0.00 -1.78 0.00 0.00 34.13 29.12 2otj s GLU 38 CO -0.12 -0.28 1.20 0.50 -0.49 0.00 0.00 175.26 176.07 2otj s ARG 39 N 1.41 4.50 0.01 1.61 3.52 -1.26 -0.24 118.95 128.50 2otj s ARG 39 Ca 0.04 1.92 0.06 0.00 -0.13 0.00 0.00 55.73 57.62 2otj s ARG 39 Cb -0.15 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2otj s ARG 39 CO -0.05 -0.04 -0.18 0.96 -0.81 0.00 0.00 175.30 175.19 2otj s ILE 40 N -0.47 1.42 0.38 4.11 -4.36 -0.63 -4.91 121.20 116.75 2otj s ILE 40 Ca 0.51 -0.92 0.12 0.00 -0.26 0.00 0.00 60.65 60.09 2otj s ILE 40 Cb -0.34 -1.22 0.11 0.00 1.25 0.00 0.00 42.46 42.27 2otj s ILE 40 CO 0.40 0.27 1.86 -0.33 0.24 0.00 0.00 174.94 177.38 2otj h GLU 41 N 5.33 0.07 -3.75 0.37 5.08 -1.96 -3.38 114.58 116.34 2otj h GLU 41 Ca -0.39 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 57.71 2otj h GLU 41 Cb 1.16 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 30.12 2otj h GLU 41 CO 0.46 0.37 -0.72 1.03 -1.00 0.00 0.00 179.01 179.14 2otj s ARG 42 N -4.37 0.03 0.25 2.33 1.81 -1.26 -4.99 118.95 112.76 2otj s ARG 42 Ca -0.04 0.00 -0.31 0.00 -1.72 0.00 0.00 55.73 53.67 2otj s ARG 42 Cb 0.15 -0.05 -0.12 0.00 -0.45 0.00 0.00 34.95 34.48 2otj s ARG 42 CO 0.73 -0.01 1.66 -2.14 -0.68 0.00 0.00 175.30 174.86 2otj s PRO 43 N 0.09 4.12 0.37 3.54 0.02 -1.26 -4.89 135.00 136.98 2otj s PRO 43 Ca -0.01 2.60 0.27 0.00 0.02 0.00 0.00 61.00 63.88 2otj s PRO 43 Cb -0.01 -3.05 1.17 0.00 0.02 0.00 0.00 34.50 32.63 2otj s PRO 43 CO -0.00 -0.69 1.82 1.15 -0.33 0.00 0.00 177.00 178.95 2otj h THR 44 N 3.58 0.00 -2.63 0.99 2.02 -2.00 -3.32 112.91 111.55 2otj h THR 44 Ca -0.45 -0.30 -0.60 0.00 0.77 0.00 0.00 66.41 65.83 2otj h THR 44 Cb 1.21 1.11 -0.39 0.00 -1.74 0.00 0.00 68.15 68.33 2otj h THR 44 CO 0.87 0.00 -0.84 -0.13 0.37 0.00 0.00 175.52 175.79 2otj s ARG 45 N -3.47 1.29 0.19 6.66 0.52 -1.26 -5.01 118.95 117.87 2otj s ARG 45 Ca 0.02 -2.33 -0.14 0.00 -0.52 0.00 0.00 55.73 52.77 2otj s ARG 45 Cb 0.09 -2.00 0.18 0.00 0.52 0.00 0.00 34.95 33.75 2otj s ARG 45 CO 0.43 -1.32 1.68 1.25 0.02 0.00 0.00 175.30 177.36 2otj h LEU 46 N 5.83 -0.23 -0.27 2.53 6.46 -1.98 -1.35 115.31 126.30 2otj h LEU 46 Ca 0.19 0.12 0.05 0.00 -0.12 0.00 0.00 57.88 58.12 2otj h LEU 46 Cb 0.88 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.97 2otj h LEU 46 CO 0.46 -0.08 -0.08 -2.24 -0.62 0.00 0.00 178.44 175.88 2otj h ASP 47 N 0.11 -0.29 -0.54 1.25 2.03 -1.95 -0.19 116.42 116.84 2otj h ASP 47 Ca 0.25 0.09 -0.02 0.00 -0.73 0.00 0.00 57.03 56.61 2otj h ASP 47 Cb 0.37 0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 39.03 2otj h ASP 47 CO -0.42 -0.10 0.26 0.50 -1.03 0.00 0.00 179.24 178.45 2otj h LYS 48 N -0.02 0.77 0.64 4.15 1.63 -1.86 0.13 116.57 122.02 2otj h LYS 48 Ca 0.13 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 2otj h LYS 48 Cb 0.22 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2otj h LYS 48 CO -0.29 0.64 -0.31 0.00 -3.45 0.00 0.00 179.45 176.04 2otj h ALA 49 N 1.10 -0.86 -0.97 5.00 0.00 -0.88 -0.41 119.26 122.24 2otj h ALA 49 Ca 0.19 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2otj h ALA 49 Cb 0.12 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2otj h ALA 49 CO -0.02 -0.98 0.63 0.00 0.00 0.00 0.00 179.25 178.87 2otj h ARG 50 N -0.87 1.10 -0.08 0.00 3.08 -0.94 0.27 114.38 116.93 2otj h ARG 50 Ca -0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 2otj h ARG 50 Cb 0.66 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2otj h ARG 50 CO 0.14 0.73 -0.13 1.03 -1.07 0.00 0.00 179.97 180.67 2otj h SER 51 N 1.13 0.11 1.11 7.04 0.87 -0.45 -2.67 113.55 120.70 2otj h SER 51 Ca 0.41 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2otj h SER 51 Cb 0.16 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2otj h SER 51 CO -0.16 0.25 -0.54 1.56 -0.53 0.00 0.00 176.83 177.42 2otj h GLN 52 N 0.11 0.00 0.00 2.24 4.20 0.73 -3.47 115.11 118.92 2otj h GLN 52 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2otj h GLN 52 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2otj h GLN 52 CO 0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 2otj n GLY 53 N 1.27 0.45 3.77 3.46 0.00 -0.71 -4.84 105.19 108.58 2otj n GLY 53 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2otj n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2otj s TYR 54 N -0.30 2.79 0.01 1.61 5.04 -0.28 -4.95 117.35 121.26 2otj s TYR 54 Ca 0.00 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.82 2otj s TYR 54 Cb 0.00 -3.91 -0.01 0.00 0.35 0.00 0.00 41.96 38.39 2otj s TYR 54 CO 0.00 -2.69 -0.03 0.15 -1.34 0.00 0.00 175.55 171.64 2otj s LYS 55 N -1.65 0.22 -1.14 4.97 1.02 -1.26 -4.21 119.74 117.69 2otj s LYS 55 Ca 0.53 -0.29 -0.21 0.00 0.02 0.00 0.00 55.97 56.03 2otj s LYS 55 Cb -0.44 -0.07 0.05 0.00 -0.52 0.00 0.00 37.83 36.85 2otj s LYS 55 CO 0.56 0.01 1.60 0.00 -0.92 0.00 0.00 175.35 176.61 2otj s ALA 56 N -0.59 2.90 0.17 5.17 0.00 -1.26 -4.82 121.76 123.34 2otj s ALA 56 Ca -0.05 -2.51 -0.10 0.00 0.00 0.00 0.00 51.96 49.30 2otj s ALA 56 Cb -0.04 -4.59 -0.00 0.00 0.00 0.00 0.00 23.12 18.49 2otj s ALA 56 CO -0.00 -3.57 0.33 0.21 0.00 0.00 0.00 175.76 172.72 2otj s LYS 57 N 4.78 1.21 0.10 0.00 2.20 -1.26 -5.13 119.74 121.64 2otj s LYS 57 Ca 0.51 -1.15 -0.31 0.00 -0.36 0.00 0.00 55.97 54.67 2otj s LYS 57 Cb 0.01 0.40 -0.07 0.00 -1.51 0.00 0.00 37.83 36.67 2otj s LYS 57 CO -0.01 -0.46 1.24 -0.65 -0.36 0.00 0.00 175.35 175.11 2otj s GLN 58 N -3.96 4.42 0.00 4.03 -0.21 -1.26 -2.90 119.66 119.78 2otj s GLN 58 Ca 0.17 1.86 0.00 0.00 0.02 0.00 0.00 55.36 57.41 2otj s GLN 58 Cb 0.03 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.73 2otj s GLN 58 CO 0.00 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.32 2otj n GLY 59 N 3.10 0.25 3.54 3.09 0.00 -1.26 -4.43 105.19 109.48 2otj n GLY 59 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2otj n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2otj s VAL 60 N -2.00 5.15 0.10 1.61 1.01 -1.14 -0.16 120.40 124.97 2otj s VAL 60 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.02 2otj s VAL 60 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2otj s VAL 60 CO 0.00 0.15 -0.22 -0.63 0.00 0.00 0.00 175.10 174.39 2otj s ILE 61 N 1.72 2.55 -0.01 2.22 1.09 0.21 -4.86 121.20 124.11 2otj s ILE 61 Ca 0.06 -1.52 0.04 0.00 -1.10 0.00 0.00 60.65 58.13 2otj s ILE 61 Cb -0.17 -2.12 -0.01 0.00 -1.06 0.00 0.00 42.46 39.11 2otj s ILE 61 CO 0.10 0.17 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.29 2otj s VAL 62 N -1.03 0.99 -0.10 2.92 1.01 -1.26 0.05 120.40 122.98 2otj s VAL 62 Ca 0.15 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2otj s VAL 62 Cb -0.10 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.48 2otj s VAL 62 CO 0.07 0.28 0.25 0.00 0.00 0.00 0.00 175.10 175.70 2otj s ALA 63 N -0.28 -0.61 -0.11 5.51 0.00 -0.60 -1.60 121.76 124.07 2otj s ALA 63 Ca 0.05 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 2otj s ALA 63 Cb -0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2otj s ALA 63 CO -0.00 -0.15 0.51 0.50 0.00 0.00 0.00 175.76 176.61 2otj s ARG 64 N 0.56 4.34 -0.14 0.00 3.52 0.66 -0.52 118.95 127.38 2otj s ARG 64 Ca -0.04 0.51 0.02 0.00 -0.13 0.00 0.00 55.73 56.10 2otj s ARG 64 Cb -0.05 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 2otj s ARG 64 CO -0.03 0.17 -0.20 0.08 -0.81 0.00 0.00 175.30 174.50 2otj s VAL 65 N 0.57 1.94 -0.24 7.11 1.01 0.49 -1.09 120.40 130.21 2otj s VAL 65 Ca 0.27 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2otj s VAL 65 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2otj s VAL 65 CO 0.11 0.53 0.30 -0.55 0.00 0.00 0.00 175.10 175.49 2otj s SER 66 N 0.90 6.24 0.04 3.32 0.15 -0.43 -2.27 113.70 121.65 2otj s SER 66 Ca -0.06 0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.93 2otj s SER 66 Cb -0.15 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 2otj s SER 66 CO -0.03 -0.06 -0.18 -0.69 1.20 0.00 0.00 173.24 173.48 2otj s VAL 67 N 1.48 1.43 0.69 4.45 1.01 -0.60 -4.87 120.40 123.99 2otj s VAL 67 Ca 0.13 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 2otj s VAL 67 Cb -0.15 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2otj s VAL 67 CO 0.08 0.11 1.16 0.00 0.00 0.00 0.00 175.10 176.45 2otj s ARG 68 N -1.18 2.51 0.39 2.72 3.03 -1.26 -0.31 118.95 124.86 2otj s ARG 68 Ca 0.05 1.60 -0.03 0.00 2.03 0.00 0.00 55.73 59.38 2otj s ARG 68 Cb -0.08 -1.90 -0.04 0.00 -1.03 0.00 0.00 34.95 31.90 2otj s ARG 68 CO 0.02 -1.51 0.65 0.15 -1.13 0.00 0.00 175.30 173.47 2otj s LYS 69 N -3.93 3.54 0.00 3.89 1.02 -0.83 -4.68 119.74 118.75 2otj s LYS 69 Ca 0.71 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.66 2otj s LYS 69 Cb -0.25 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2otj s LYS 69 CO 0.42 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 2otj n GLY 70 N -1.80 -2.40 0.00 -3.33 0.00 -1.26 -4.93 105.19 91.46 2otj n GLY 70 Ca -0.02 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2otj n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2otj n SER 71 N 0.00 -0.29 -4.76 1.61 3.41 -1.26 -4.96 113.62 107.37 2otj n SER 71 Ca 0.00 -0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 57.75 2otj n SER 71 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2otj n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2otj s ALA 72 N -3.52 3.49 -0.86 7.33 0.00 -1.11 -4.89 121.76 122.20 2otj s ALA 72 Ca 0.00 1.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.90 2otj s ALA 72 Cb 0.00 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.79 2otj s ALA 72 CO 0.00 -0.51 1.07 1.03 0.00 0.00 0.00 175.76 177.35 2otj s ARG 73 N -1.10 3.48 -0.00 0.00 3.00 -1.26 -4.95 118.95 118.12 2otj s ARG 73 Ca 0.51 -1.60 0.08 0.00 0.00 0.00 0.00 55.73 54.72 2otj s ARG 73 Cb -0.37 -4.75 -0.02 0.00 0.00 0.00 0.00 34.95 29.81 2otj s ARG 73 CO 0.45 -1.76 -0.25 0.21 0.00 0.00 0.00 175.30 173.96 2otj s LYS 74 N 2.86 2.06 0.07 3.54 2.20 -1.26 -5.12 119.74 124.08 2otj s LYS 74 Ca 0.29 -0.96 -0.23 0.00 -0.36 0.00 0.00 55.97 54.71 2otj s LYS 74 Cb -0.08 -2.06 -0.06 0.00 -1.51 0.00 0.00 37.83 34.12 2otj s LYS 74 CO -0.05 0.55 0.70 1.03 -0.36 0.00 0.00 175.35 177.22 2otj s ARG 75 N -0.82 4.43 0.59 4.03 0.52 -1.26 -4.94 118.95 121.50 2otj s ARG 75 Ca 0.11 0.96 -0.19 0.00 -0.52 0.00 0.00 55.73 56.10 2otj s ARG 75 Cb -0.10 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 2otj s ARG 75 CO 0.00 0.42 1.19 0.50 0.02 0.00 0.00 175.30 177.43 2otj s ARG 76 N -0.50 2.99 0.33 3.54 3.52 -1.26 -4.95 118.95 122.63 2otj s ARG 76 Ca 0.35 1.76 -0.28 0.00 -0.13 0.00 0.00 55.73 57.43 2otj s ARG 76 Cb -0.20 -1.94 -0.13 0.00 -1.56 0.00 0.00 34.95 31.12 2otj s ARG 76 CO 0.22 -1.17 1.27 -2.39 -0.81 0.00 0.00 175.30 172.41 2otj n HIS 77 N -1.64 2.16 -0.81 5.12 1.44 -1.26 -4.93 115.22 115.31 2otj n HIS 77 Ca 0.13 0.56 0.08 0.00 -2.01 0.00 0.00 57.72 56.48 2otj n HIS 77 Cb 0.50 -2.40 0.25 0.00 0.12 0.00 0.00 29.99 28.46 2otj n HIS 77 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2otj n LYS 78 N 0.67 3.06 -3.92 -1.40 5.02 -1.26 -5.00 118.16 115.33 2otj n LYS 78 Ca 0.06 -2.70 -0.11 0.00 -2.02 0.00 0.00 58.31 53.53 2otj n LYS 78 Cb 0.35 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 2otj n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2otj s ALA 79 N -2.42 -0.19 0.13 7.82 0.00 -1.26 -5.13 121.76 120.71 2otj s ALA 79 Ca 0.39 -1.02 -0.34 0.00 0.00 0.00 0.00 51.96 50.99 2otj s ALA 79 Cb 0.30 0.88 -0.14 0.00 0.00 0.00 0.00 23.12 24.16 2otj s ALA 79 CO 0.11 -0.91 1.55 0.41 0.00 0.00 0.00 175.76 176.92 2otj n GLY 80 N -0.53 1.03 3.01 0.00 0.00 -1.26 -5.00 105.19 102.43 2otj n GLY 80 Ca -0.04 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 2otj n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otj s ARG 81 N 0.99 0.16 0.57 1.61 3.00 -1.26 -5.13 118.95 118.90 2otj s ARG 81 Ca 0.80 0.24 -0.16 0.00 0.00 0.00 0.00 55.73 56.61 2otj s ARG 81 Cb -0.73 0.04 -0.05 0.00 0.00 0.00 0.00 34.95 34.22 2otj s ARG 81 CO 0.40 -0.04 1.05 -0.98 0.00 0.00 0.00 175.30 175.73 2otj s ARG 82 N 0.26 3.43 0.38 3.54 1.70 -1.26 -4.80 118.95 122.20 2otj s ARG 82 Ca -0.02 1.20 0.21 0.00 -0.47 0.00 0.00 55.73 56.65 2otj s ARG 82 Cb -0.03 -2.05 1.25 0.00 -0.57 0.00 0.00 34.95 33.56 2otj s ARG 82 CO -0.01 -0.72 1.63 0.66 -1.08 0.00 0.00 175.30 175.78 2otj h SER 83 N 0.60 0.39 -0.02 -2.89 4.64 -2.01 0.39 113.55 114.65 2otj h SER 83 Ca -0.47 0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2otj h SER 83 Cb 1.22 0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2otj h SER 83 CO 0.58 -0.23 0.02 0.50 -0.87 0.00 0.00 176.83 176.82 2otj h LYS 84 N 0.17 0.00 -0.54 4.77 3.11 -2.04 -2.68 116.57 119.35 2otj h LYS 84 Ca 0.79 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.63 2otj h LYS 84 Cb 2.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.30 2otj h LYS 84 CO -0.60 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 176.58 2otj n ARG 85 N -4.53 2.99 -0.18 1.90 5.12 0.14 -4.46 116.66 117.63 2otj n ARG 85 Ca -0.02 -2.49 0.09 0.00 -1.93 0.00 0.00 57.85 53.49 2otj n ARG 85 Cb 0.11 -1.54 0.25 0.00 -1.16 0.00 0.00 32.46 30.13 2otj n ARG 85 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2otj n GLN 86 N 0.98 2.01 -2.01 5.56 6.02 -1.01 -4.87 117.38 124.07 2otj n GLN 86 Ca 0.20 -1.56 -0.33 0.00 -0.01 0.00 0.00 57.00 55.30 2otj n GLN 86 Cb 0.62 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.51 2otj n GLN 86 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2otj s GLY 87 N -1.22 2.17 0.28 1.08 0.00 -1.26 -4.82 107.32 103.55 2otj s GLY 87 Ca 0.32 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2otj s GLY 87 CO 0.24 0.78 0.00 -0.62 0.00 0.00 0.00 173.10 173.49 2otj n VAL 88 N -2.04 0.00 -0.31 1.40 0.31 -1.26 -4.84 118.33 111.59 2otj n VAL 88 Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.43 2otj n VAL 88 Cb 0.53 -0.41 0.14 0.00 -0.91 0.00 0.00 33.84 33.19 2otj n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2otj h THR 89 N 0.00 1.05 -0.00 2.52 2.02 -1.92 -3.24 112.91 113.33 2otj h THR 89 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2otj h THR 89 Cb 0.00 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 2otj h THR 89 CO 0.00 0.18 -0.73 0.54 0.37 0.00 0.00 175.52 175.88 2otj n ARG 90 N -4.61 0.27 -1.97 6.66 1.74 -1.26 -4.91 116.66 112.57 2otj n ARG 90 Ca 0.12 -0.20 -0.40 0.00 -0.77 0.00 0.00 57.85 56.60 2otj n ARG 90 Cb 0.17 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 2otj n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2otj s ILE 91 N -2.87 2.43 0.14 0.55 1.01 -1.22 -4.97 121.20 116.26 2otj s ILE 91 Ca 0.12 0.41 0.06 0.00 0.00 0.00 0.00 60.65 61.24 2otj s ILE 91 Cb 0.17 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2otj s ILE 91 CO 0.75 0.08 -0.15 0.42 0.00 0.00 0.00 174.94 176.05 2otj s THR 92 N -1.18 1.46 0.52 2.92 -4.23 -1.26 -2.75 115.64 111.11 2otj s THR 92 Ca 0.54 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 59.06 2otj s THR 92 Cb -0.41 -1.68 -0.07 0.00 1.34 0.00 0.00 72.50 71.68 2otj s THR 92 CO 0.55 -0.45 0.96 -0.13 -0.54 0.00 0.00 174.62 175.01 2otj s ARG 93 N -2.90 3.86 0.35 3.99 1.81 -1.26 -4.83 118.95 119.97 2otj s ARG 93 Ca 0.12 0.85 0.19 0.00 -1.72 0.00 0.00 55.73 55.18 2otj s ARG 93 Cb -0.04 -2.16 0.20 0.00 -0.45 0.00 0.00 34.95 32.50 2otj s ARG 93 CO 0.04 -0.30 1.50 0.00 -0.68 0.00 0.00 175.30 175.86 2otj h ARG 94 N 0.72 0.00 -5.97 3.54 3.08 -2.02 -3.44 114.38 110.29 2otj h ARG 94 Ca -0.46 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.00 2otj h ARG 94 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 2otj h ARG 94 CO 0.62 0.22 -0.13 0.15 -1.07 0.00 0.00 179.97 179.75 2otj s LYS 95 N -3.10 4.15 0.61 0.04 1.02 -1.26 -5.01 119.74 116.18 2otj s LYS 95 Ca 0.05 0.51 -0.14 0.00 0.02 0.00 0.00 55.97 56.42 2otj s LYS 95 Cb 0.06 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2otj s LYS 95 CO 0.71 0.48 1.04 0.16 -0.92 0.00 0.00 175.35 176.82 2otj s ASP 96 N -0.46 5.92 0.37 2.83 -4.77 -1.26 -4.90 116.67 114.40 2otj s ASP 96 Ca 0.26 1.65 0.14 0.00 -3.30 0.00 0.00 52.55 51.30 2otj s ASP 96 Cb -0.17 -2.51 0.98 0.00 -1.09 0.00 0.00 42.92 40.13 2otj s ASP 96 CO 0.14 -1.08 1.79 0.40 0.70 0.00 0.00 175.17 177.12 2otj h ILE 97 N 0.11 0.62 -0.78 2.11 2.04 -1.97 -0.13 117.51 119.51 2otj h ILE 97 Ca -0.46 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2otj h ILE 97 Cb 1.21 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2otj h ILE 97 CO 0.59 0.09 0.39 -0.61 0.00 0.00 0.00 178.15 178.61 2otj h GLN 98 N 0.52 1.11 -0.23 2.37 4.15 -1.99 -0.55 115.11 120.48 2otj h GLN 98 Ca 0.56 -0.15 -0.13 0.00 0.77 0.00 0.00 58.65 59.71 2otj h GLN 98 Cb 1.23 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 2otj h GLN 98 CO -0.30 0.84 -0.38 -0.09 -1.93 0.00 0.00 178.83 176.97 2otj h ARG 99 N 1.10 0.53 -0.31 1.69 2.43 -1.39 -1.15 114.38 117.28 2otj h ARG 99 Ca 0.27 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2otj h ARG 99 Cb 0.09 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2otj h ARG 99 CO -0.04 0.83 0.10 0.28 -1.51 0.00 0.00 179.97 179.64 2otj h VAL 100 N 0.44 1.20 -0.86 0.20 2.07 -0.97 -1.65 116.25 116.67 2otj h VAL 100 Ca 0.04 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 66.98 2otj h VAL 100 Cb 0.87 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 2otj h VAL 100 CO 0.07 0.22 0.54 0.00 0.02 0.00 0.00 177.57 178.42 2otj h ALA 101 N 0.94 1.18 -0.61 1.67 0.00 -0.82 -0.51 119.26 121.11 2otj h ALA 101 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2otj h ALA 101 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2otj h ALA 101 CO -0.00 0.29 0.05 0.93 0.00 0.00 0.00 179.25 180.52 2otj h GLU 102 N 0.98 1.04 -0.39 0.00 5.08 -0.93 -2.29 114.58 118.07 2otj h GLU 102 Ca 0.37 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2otj h GLU 102 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2otj h GLU 102 CO -0.17 1.00 0.05 0.93 -1.00 0.00 0.00 179.01 179.81 2otj h GLU 103 N 0.94 0.65 -0.47 2.33 5.08 -0.40 -1.36 114.58 121.37 2otj h GLU 103 Ca 0.18 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2otj h GLU 103 Cb 0.49 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2otj h GLU 103 CO 0.02 0.72 0.27 0.00 -1.00 0.00 0.00 179.01 179.02 2otj h ARG 104 N 0.49 0.63 0.45 2.33 3.08 -1.03 -2.08 114.38 118.25 2otj h ARG 104 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2otj h ARG 104 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2otj h ARG 104 CO 0.01 0.45 -0.22 0.00 -1.07 0.00 0.00 179.97 179.15 2otj h ALA 105 N 1.66 -0.61 -0.49 0.04 0.00 -1.13 -2.73 119.26 116.00 2otj h ALA 105 Ca 0.17 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2otj h ALA 105 Cb -0.00 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2otj h ALA 105 CO -0.03 -0.66 0.36 1.03 0.00 0.00 0.00 179.25 179.95 2otj h SER 106 N -0.97 0.00 0.37 0.00 0.87 -1.02 0.06 113.55 112.86 2otj h SER 106 Ca -0.06 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.32 2otj h SER 106 Cb 0.58 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2otj h SER 106 CO 0.10 0.00 -0.75 0.03 -0.53 0.00 0.00 176.83 175.69 2otj h ARG 107 N 0.00 0.31 0.00 2.24 3.08 -1.32 -2.96 114.38 115.72 2otj h ARG 107 Ca 0.23 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2otj h ARG 107 Cb 0.94 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2otj h ARG 107 CO -0.00 0.92 -0.30 1.15 -1.07 0.00 0.00 179.97 180.67 2otj h THR 108 N 0.21 1.16 -2.48 2.04 2.02 -0.67 -3.27 112.91 111.91 2otj h THR 108 Ca -0.03 -1.06 -0.61 0.00 0.77 0.00 0.00 66.41 65.47 2otj h THR 108 Cb 1.32 1.58 -0.41 0.00 -1.74 0.00 0.00 68.15 68.90 2otj h THR 108 CO 0.12 0.30 -0.53 0.49 0.37 0.00 0.00 175.52 176.27 2otj n PHE 109 N -4.09 3.54 0.13 3.16 3.01 -0.96 -4.95 117.46 117.30 2otj n PHE 109 Ca -0.02 -4.15 0.06 0.00 1.01 0.00 0.00 57.45 54.35 2otj n PHE 109 Cb 0.36 -0.62 0.31 0.00 -0.01 0.00 0.00 39.48 39.52 2otj n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2otj n PRO 110 N 1.19 0.08 -0.05 -1.08 -0.04 -1.19 -1.24 135.00 132.66 2otj n PRO 110 Ca 0.27 0.53 0.01 0.00 -0.04 0.00 0.00 63.50 64.27 2otj n PRO 110 Cb 0.39 -1.99 -0.16 0.00 -0.04 0.00 0.00 33.50 31.70 2otj n PRO 110 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2otj n ASN 111 N -1.92 0.15 -4.89 3.54 6.94 -1.26 -4.99 115.26 112.83 2otj n ASN 111 Ca -0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.26 2otj n ASN 111 Cb 0.26 1.52 0.04 0.00 -2.36 0.00 0.00 39.78 39.24 2otj n ASN 111 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2otj s LEU 112 N -4.92 2.95 -0.02 -4.53 1.43 -0.37 -4.50 118.68 108.72 2otj s LEU 112 Ca -0.09 1.06 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 2otj s LEU 112 Cb 0.10 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 2otj s LEU 112 CO 0.85 -1.30 -0.15 -0.13 0.23 0.00 0.00 176.35 175.85 2otj s ARG 113 N -5.30 1.33 -0.14 1.70 0.52 -0.63 -4.89 118.95 111.54 2otj s ARG 113 Ca 0.57 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 2otj s ARG 113 Cb -0.11 -1.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.09 2otj s ARG 113 CO 0.51 0.28 1.52 0.08 0.02 0.00 0.00 175.30 177.70 2otj s VAL 114 N -0.19 3.83 -0.19 3.52 1.01 -1.26 -0.90 120.40 126.23 2otj s VAL 114 Ca 0.02 0.99 -0.18 0.00 0.00 0.00 0.00 61.98 62.81 2otj s VAL 114 Cb -0.08 -3.70 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 2otj s VAL 114 CO 0.00 -0.16 0.09 0.25 0.00 0.00 0.00 175.10 175.29 2otj h LEU 115 N 10.49 0.00 0.00 3.92 7.12 -1.24 -3.46 115.31 132.14 2otj h LEU 115 Ca -0.34 -0.35 0.06 0.00 0.13 0.00 0.00 57.88 57.38 2otj h LEU 115 Cb 1.15 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 2otj h LEU 115 CO 0.97 1.28 0.22 -3.20 -0.13 0.00 0.00 178.44 177.59 2otj n ASN 116 N -4.49 -0.64 -3.66 1.25 2.85 -1.05 -4.65 115.26 104.87 2otj n ASN 116 Ca -0.25 -1.33 -0.06 0.00 -0.11 0.00 0.00 54.58 52.83 2otj n ASN 116 Cb 0.56 1.03 -0.02 0.00 1.24 0.00 0.00 39.78 42.60 2otj n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2otj s SER 117 N -1.91 -0.26 0.02 1.20 1.04 -1.26 -0.42 113.70 112.11 2otj s SER 117 Ca 0.09 -0.27 -0.27 0.00 0.48 0.00 0.00 55.95 55.98 2otj s SER 117 Cb -0.01 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.65 2otj s SER 117 CO 0.02 -0.84 0.62 -0.72 0.98 0.00 0.00 173.24 173.30 2otj s TYR 118 N -3.28 -0.57 0.29 5.02 -0.85 -0.62 -4.98 117.35 112.36 2otj s TYR 118 Ca 0.09 0.77 -0.29 0.00 -0.52 0.00 0.00 57.07 57.12 2otj s TYR 118 Cb -0.01 0.42 -0.10 0.00 0.38 0.00 0.00 41.96 42.65 2otj s TYR 118 CO -0.02 -0.67 1.12 0.45 -1.52 0.00 0.00 175.55 174.91 2otj s SER 119 N -1.74 7.22 -0.11 -0.18 0.15 -1.26 -1.25 113.70 116.53 2otj s SER 119 Ca -0.07 2.30 0.16 0.00 0.70 0.00 0.00 55.95 59.04 2otj s SER 119 Cb -0.01 -2.63 0.37 0.00 -1.71 0.00 0.00 66.02 62.05 2otj s SER 119 CO 0.02 -0.18 1.18 1.33 1.20 0.00 0.00 173.24 176.79 2otj n VAL 120 N 1.14 1.25 0.00 4.45 0.24 -0.40 -4.89 118.33 120.13 2otj n VAL 120 Ca -0.01 -2.11 0.00 0.00 -2.04 0.00 0.00 64.34 60.18 2otj n VAL 120 Cb 0.45 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 2otj n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2otj n GLY 121 N -0.53 -2.01 3.54 7.63 0.00 -1.24 -4.83 105.19 107.75 2otj n GLY 121 Ca 0.13 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 2otj n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2otj s GLN 122 N -0.69 0.69 0.00 1.61 -2.07 -1.26 -0.68 119.66 117.26 2otj s GLN 122 Ca 0.00 -0.09 0.00 0.00 -1.82 0.00 0.00 55.36 53.45 2otj s GLN 122 Cb 0.00 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 2otj s GLN 122 CO 0.00 -0.27 0.00 -0.40 -1.32 0.00 0.00 175.29 173.30 2otj n ASP 123 N 0.19 0.42 0.20 12.60 5.68 -0.75 -5.00 116.55 129.89 2otj n ASP 123 Ca -0.09 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.25 2otj n ASP 123 Cb 0.60 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.06 2otj n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2otj h GLY 124 N 0.00 0.07 -0.32 6.12 0.00 -2.05 -3.35 103.07 103.54 2otj h GLY 124 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2otj h GLY 124 CO 0.00 0.04 -0.16 -0.96 0.00 0.00 0.00 176.54 175.46 2otj n ARG 125 N -4.32 0.90 -3.57 4.80 1.85 -1.26 -4.95 116.66 110.12 2otj n ARG 125 Ca -0.02 -1.39 -0.09 0.00 -1.00 0.00 0.00 57.85 55.35 2otj n ARG 125 Cb 0.24 -0.86 -0.02 0.00 -1.05 0.00 0.00 32.46 30.78 2otj n ARG 125 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2otj s GLN 126 N -0.94 1.24 0.11 2.89 -2.07 -1.26 -1.97 119.66 117.66 2otj s GLN 126 Ca 0.08 -0.55 0.08 0.00 -1.82 0.00 0.00 55.36 53.15 2otj s GLN 126 Cb 0.07 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.47 2otj s GLN 126 CO 0.01 -0.55 -0.19 0.15 -1.32 0.00 0.00 175.29 173.38 2otj s LYS 127 N -3.55 1.09 -0.04 9.60 1.02 0.58 -1.81 119.74 126.64 2otj s LYS 127 Ca 0.05 -1.17 0.06 0.00 0.02 0.00 0.00 55.97 54.93 2otj s LYS 127 Cb -0.02 -1.28 -0.01 0.00 -0.52 0.00 0.00 37.83 36.00 2otj s LYS 127 CO -0.06 0.29 -0.21 -1.58 -0.92 0.00 0.00 175.35 172.86 2otj s TRP 128 N -1.34 2.01 -0.01 3.18 0.51 0.14 -1.56 118.94 121.86 2otj s TRP 128 Ca 0.07 -0.51 0.01 0.00 -2.12 0.00 0.00 56.10 53.55 2otj s TRP 128 Cb -0.09 -1.32 0.01 0.00 -0.81 0.00 0.00 33.47 31.26 2otj s TRP 128 CO 0.04 -0.13 -0.03 -1.01 -0.51 0.00 0.00 176.95 175.32 2otj s HIS 129 N -0.24 0.32 -0.24 -1.98 3.76 -0.96 -1.27 115.29 114.67 2otj s HIS 129 Ca 0.01 -0.05 -0.10 0.00 -0.15 0.00 0.00 55.06 54.77 2otj s HIS 129 Cb -0.11 -0.26 -0.05 0.00 1.11 0.00 0.00 32.58 33.27 2otj s HIS 129 CO 0.01 -0.04 0.16 -1.21 -0.85 0.00 0.00 174.74 172.81 2otj s GLU 130 N 0.23 4.04 -0.18 1.40 2.02 -0.38 -0.38 118.70 125.46 2otj s GLU 130 Ca -0.02 -0.29 -0.07 0.00 0.02 0.00 0.00 54.97 54.61 2otj s GLU 130 Cb -0.05 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 2otj s GLU 130 CO -0.01 0.03 0.05 0.08 0.02 0.00 0.00 175.26 175.43 2otj s VAL 131 N 1.15 4.67 -0.26 2.63 1.01 0.32 -1.59 120.40 128.33 2otj s VAL 131 Ca 0.07 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 2otj s VAL 131 Cb -0.14 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2otj s VAL 131 CO 0.05 0.46 0.45 -0.63 0.00 0.00 0.00 175.10 175.43 2otj s ILE 132 N 0.41 5.12 0.22 2.22 1.01 0.44 -1.56 121.20 129.06 2otj s ILE 132 Ca 0.02 0.73 0.10 0.00 0.00 0.00 0.00 60.65 61.51 2otj s ILE 132 Cb -0.13 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2otj s ILE 132 CO 0.01 0.12 -0.13 -0.76 0.00 0.00 0.00 174.94 174.18 2otj s LEU 133 N 2.19 2.82 -0.02 2.97 1.02 0.11 -0.68 118.68 127.09 2otj s LEU 133 Ca 0.18 -0.75 0.03 0.00 0.02 0.00 0.00 54.13 53.62 2otj s LEU 133 Cb -0.16 -1.45 -0.00 0.00 0.02 0.00 0.00 46.19 44.60 2otj s LEU 133 CO 0.09 0.07 -0.11 -0.63 0.02 0.00 0.00 176.35 175.80 2otj s ILE 134 N -1.98 0.91 -0.68 -0.59 -1.09 -0.08 -0.62 121.20 117.07 2otj s ILE 134 Ca 0.26 -0.47 -0.23 0.00 -2.23 0.00 0.00 60.65 57.98 2otj s ILE 134 Cb -0.07 -0.78 0.07 0.00 -1.58 0.00 0.00 42.46 40.09 2otj s ILE 134 CO 0.15 0.27 1.02 -0.62 -1.23 0.00 0.00 174.94 174.53 2otj s ASP 135 N -0.09 6.19 0.42 3.58 -1.08 0.78 -1.61 116.67 124.85 2otj s ASP 135 Ca 0.01 -0.95 0.28 0.00 -0.52 0.00 0.00 52.55 51.38 2otj s ASP 135 Cb -0.06 -2.44 1.51 0.00 -1.46 0.00 0.00 42.92 40.46 2otj s ASP 135 CO 0.00 -1.49 1.87 1.55 0.52 0.00 0.00 175.17 177.62 2otj h PRO 136 N 9.62 0.00 0.00 4.34 0.13 -1.89 -2.46 132.00 141.74 2otj h PRO 136 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2otj h PRO 136 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2otj h PRO 136 CO 1.20 0.00 -1.12 0.09 -0.23 0.00 0.00 178.00 177.94 2otj n ASN 137 N -2.51 0.59 -4.70 1.44 3.02 -1.26 -4.71 115.26 107.13 2otj n ASN 137 Ca -0.02 -0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 2otj n ASN 137 Cb 0.07 0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 40.06 2otj n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2otj s HIS 138 N -3.26 3.34 0.57 3.10 2.46 -0.93 -4.91 115.29 115.67 2otj s HIS 138 Ca 0.02 1.32 0.40 0.00 0.47 0.00 0.00 55.06 57.26 2otj s HIS 138 Cb 0.13 -3.37 2.14 0.00 -0.13 0.00 0.00 32.58 31.35 2otj s HIS 138 CO 0.81 -1.09 2.29 -1.00 -2.47 0.00 0.00 174.74 173.28 2otj h PRO 139 N 7.16 0.00 0.00 2.88 0.13 -1.90 0.61 132.00 140.87 2otj h PRO 139 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2otj h PRO 139 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2otj h PRO 139 CO 0.84 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.62 2otj h ALA 140 N 1.99 1.00 0.00 -0.56 0.00 -1.91 -2.72 119.26 117.06 2otj h ALA 140 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2otj h ALA 140 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2otj h ALA 140 CO 0.00 0.00 -2.03 -0.89 0.00 0.00 0.00 179.25 176.33 2otj n ILE 141 N -2.88 1.03 0.32 0.00 5.41 0.11 -4.21 119.36 119.13 2otj n ILE 141 Ca -0.01 -0.51 0.21 0.00 1.00 0.00 0.00 62.75 63.44 2otj n ILE 141 Cb 0.18 -0.89 1.03 0.00 -0.71 0.00 0.00 39.64 39.24 2otj n ILE 141 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2otj h GLN 142 N 0.00 0.00 -0.13 0.38 4.20 -1.09 -1.89 115.11 116.58 2otj h GLN 142 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2otj h GLN 142 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.55 2otj h GLN 142 CO -0.02 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.23 2otj n ASN 143 N -3.07 2.73 -4.58 1.46 3.02 -1.04 -4.79 115.26 108.98 2otj n ASN 143 Ca -0.02 -1.81 -0.43 0.00 -0.03 0.00 0.00 54.58 52.29 2otj n ASN 143 Cb 0.15 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 2otj n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2otj s ASP 144 N -1.43 6.55 0.52 6.41 -1.08 -0.71 -4.90 116.67 122.04 2otj s ASP 144 Ca 0.25 0.26 0.35 0.00 -0.52 0.00 0.00 52.55 52.88 2otj s ASP 144 Cb 0.16 -2.47 1.90 0.00 -1.46 0.00 0.00 42.92 41.06 2otj s ASP 144 CO 0.24 -1.04 2.07 0.44 0.52 0.00 0.00 175.17 177.39 2otj h ASP 145 N 8.98 0.00 0.18 -0.34 3.32 -1.90 0.26 116.42 126.92 2otj h ASP 145 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2otj h ASP 145 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2otj h ASP 145 CO 1.03 0.00 -1.33 0.47 -1.72 0.00 0.00 179.24 177.69 2otj n ASP 146 N -2.73 0.54 0.00 6.45 8.00 -1.26 -4.61 116.55 122.94 2otj n ASP 146 Ca -0.02 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.11 2otj n ASP 146 Cb 0.06 1.23 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 2otj n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2otj n LEU 147 N -1.94 0.04 0.17 0.64 4.77 -0.87 -4.80 117.00 115.02 2otj n LEU 147 Ca 0.01 -0.27 0.11 0.00 -0.03 0.00 0.00 56.01 55.83 2otj n LEU 147 Cb 0.45 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.15 2otj n LEU 147 CO 0.43 0.01 0.85 0.77 -1.33 0.00 0.00 177.39 178.12 2otj h SER 148 N 0.00 0.00 -0.16 -1.43 4.64 -0.58 -2.53 113.55 113.49 2otj h SER 148 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2otj h SER 148 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2otj h SER 148 CO 0.00 0.00 0.03 4.11 -0.87 0.00 0.00 176.83 180.10 2otj h TRP 149 N 0.00 0.35 0.00 4.77 5.08 -1.87 -2.00 115.95 122.28 2otj h TRP 149 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.95 2otj h TRP 149 Cb 0.02 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 2otj h TRP 149 CO 0.00 0.34 0.00 1.51 -1.28 0.00 0.00 178.44 179.01 2otj n ILE 150 N -4.37 1.10 0.20 0.12 3.06 -0.95 -2.65 119.36 115.87 2otj n ILE 150 Ca 0.01 0.30 0.10 0.00 -2.50 0.00 0.00 62.75 60.65 2otj n ILE 150 Cb 0.18 -1.12 0.16 0.00 0.54 0.00 0.00 39.64 39.40 2otj n ILE 150 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2otj n ALA 152 N -2.13 1.57 -0.34 0.00 0.00 -1.09 -4.91 120.51 113.61 2otj n ALA 152 Ca 0.03 0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.70 2otj n ALA 152 Cb 0.57 -2.34 0.23 0.00 0.00 0.00 0.00 19.45 17.91 2otj n ALA 152 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2otj h ASP 153 N 1.59 0.81 0.05 0.00 3.32 -1.92 -0.48 116.42 119.79 2otj h ASP 153 Ca -0.50 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2otj h ASP 153 Cb 1.30 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2otj h ASP 153 CO 0.58 0.41 0.00 -0.90 -1.72 0.00 0.00 179.24 177.60 2otj n ASP 154 N -4.70 0.00 -0.96 6.45 5.68 -1.26 -1.37 116.55 120.40 2otj n ASP 154 Ca 0.18 -0.32 0.11 0.00 -0.50 0.00 0.00 54.79 54.26 2otj n ASP 154 Cb 0.38 -0.06 0.12 0.00 -1.14 0.00 0.00 41.12 40.42 2otj n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2otj n GLN 155 N -1.06 2.21 -2.11 0.11 1.13 -0.19 -4.89 117.38 112.59 2otj n GLN 155 Ca 0.09 -1.95 -0.42 0.00 -1.94 0.00 0.00 57.00 52.78 2otj n GLN 155 Cb 0.06 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 2otj n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2otj s ALA 156 N -1.75 3.64 -1.59 -1.58 0.00 -0.47 -2.73 121.76 117.28 2otj s ALA 156 Ca 0.29 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.41 2otj s ALA 156 Cb 0.20 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.76 2otj s ALA 156 CO 0.29 -0.65 0.25 -0.25 0.00 0.00 0.00 175.76 175.39 2otj n ASP 157 N 3.92 -5.61 -0.34 0.00 8.00 -1.26 -4.88 116.55 116.37 2otj n ASP 157 Ca 0.12 -0.11 0.12 0.00 0.71 0.00 0.00 54.79 55.63 2otj n ASP 157 Cb 0.41 -4.63 0.31 0.00 -0.02 0.00 0.00 41.12 37.20 2otj n ASP 157 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2otj h ARG 158 N -0.56 0.69 -0.59 -1.24 0.11 -1.86 -1.51 114.38 109.43 2otj h ARG 158 Ca -0.48 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.56 2otj h ARG 158 Cb 1.34 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 2otj h ARG 158 CO 0.55 0.45 0.37 -0.24 0.10 0.00 0.00 179.97 181.20 2otj h VAL 159 N 0.71 1.16 0.00 0.08 3.04 -1.88 -1.20 116.25 118.16 2otj h VAL 159 Ca 0.56 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.92 2otj h VAL 159 Cb 0.89 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2otj h VAL 159 CO -0.40 0.16 0.00 0.49 -1.01 0.00 0.00 177.57 176.82 2otj n PHE 160 N -4.43 0.00 -0.35 3.17 3.01 -0.57 -2.43 117.46 115.86 2otj n PHE 160 Ca 0.06 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.55 2otj n PHE 160 Cb 0.06 -0.24 0.07 0.00 -0.01 0.00 0.00 39.48 39.36 2otj n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2otj n ARG 161 N -1.24 2.54 -1.35 -1.08 1.74 -0.53 -4.98 116.66 111.75 2otj n ARG 161 Ca 0.12 -1.92 -0.12 0.00 -0.77 0.00 0.00 57.85 55.16 2otj n ARG 161 Cb 0.17 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 2otj n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otj n GLY 162 N -0.63 1.32 0.07 -0.13 0.00 -1.02 -4.89 105.19 99.91 2otj n GLY 162 Ca 0.07 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.80 2otj n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2otj n LEU 163 N -1.39 0.26 -4.81 0.99 4.77 -0.76 -3.02 117.00 113.05 2otj n LEU 163 Ca -0.12 0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 2otj n LEU 163 Cb 0.41 -0.14 0.10 0.00 -2.33 0.00 0.00 43.42 41.46 2otj n LEU 163 CO 0.19 0.05 0.72 0.28 -1.33 0.00 0.00 177.39 177.29 2otj s THR 164 N -2.31 2.68 0.05 -5.08 -1.32 -1.26 -4.85 115.64 103.56 2otj s THR 164 Ca 0.36 0.22 -0.26 0.00 -1.21 0.00 0.00 61.69 60.80 2otj s THR 164 Cb 0.21 -3.00 -0.17 0.00 -1.51 0.00 0.00 72.50 68.03 2otj s THR 164 CO 0.43 -0.29 1.53 1.23 -2.21 0.00 0.00 174.62 175.31 2otj h GLY 165 N -1.19 -0.30 2.00 6.08 0.00 -1.88 -1.63 103.07 106.15 2otj h GLY 165 Ca -0.48 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2otj h GLY 165 CO 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 176.54 177.01 2otj h ALA 166 N 0.32 1.09 0.05 3.60 0.00 -1.94 -2.42 119.26 119.96 2otj h ALA 166 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2otj h ALA 166 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2otj h ALA 166 CO 0.05 0.04 -0.02 0.78 0.00 0.00 0.00 179.25 180.09 2otj h GLY 167 N 0.84 -0.07 1.01 0.00 0.00 -1.65 -1.92 103.07 101.27 2otj h GLY 167 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2otj h GLY 167 CO 0.00 -0.03 0.37 3.21 0.00 0.00 0.00 176.54 180.09 2otj h ARG 168 N -0.53 1.00 -0.38 4.80 3.08 -0.91 0.64 114.38 122.08 2otj h ARG 168 Ca -0.01 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 2otj h ARG 168 Cb 0.47 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2otj h ARG 168 CO 0.01 0.77 0.01 0.00 -1.07 0.00 0.00 179.97 179.69 2otj h ARG 169 N 0.98 0.67 0.00 0.04 3.08 -1.51 -2.14 114.38 115.50 2otj h ARG 169 Ca 0.25 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2otj h ARG 169 Cb 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2otj h ARG 169 CO -0.04 0.77 -0.16 -0.97 -1.07 0.00 0.00 179.97 178.50 2otj h ASN 170 N 0.50 0.00 0.00 7.04 -1.24 -0.90 -0.46 115.58 120.52 2otj h ASN 170 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2otj h ASN 170 Cb 0.46 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.51 2otj h ASN 170 CO 0.02 0.16 0.00 0.54 -1.29 0.00 0.00 177.43 176.86 2otj n ARG 171 N -4.33 0.98 -1.92 6.67 1.74 0.18 -4.88 116.66 115.11 2otj n ARG 171 Ca -0.02 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 2otj n ARG 171 Cb 0.23 -1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 2otj n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otj n GLY 172 N 0.62 0.35 0.61 -0.13 0.00 -0.18 -4.80 105.19 101.66 2otj n GLY 172 Ca 0.07 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.77 2otj n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2otj n LEU 173 N -1.50 1.89 0.13 0.99 4.77 -0.86 -4.53 117.00 117.89 2otj n LEU 173 Ca -0.13 -0.65 -0.11 0.00 -0.03 0.00 0.00 56.01 55.10 2otj n LEU 173 Cb 0.52 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 2otj n LEU 173 CO 0.16 0.32 0.51 0.28 -1.33 0.00 0.00 177.39 177.34 2otj h SER 174 N 2.91 -0.92 -3.93 -1.43 0.02 -1.82 -3.43 113.55 104.94 2otj h SER 174 Ca 0.00 0.09 -0.52 0.00 -0.84 0.00 0.00 61.79 60.51 2otj h SER 174 Cb 0.62 0.32 0.07 0.00 0.14 0.00 0.00 62.40 63.56 2otj h SER 174 CO 0.00 -0.38 0.60 -0.83 -1.14 0.00 0.00 176.83 175.08 2otj s GLY 175 N -1.71 2.94 0.00 -3.77 0.00 -1.26 -4.95 107.32 98.56 2otj s GLY 175 Ca -0.11 1.20 0.22 0.00 0.00 0.00 0.00 44.72 46.03 2otj s GLY 175 CO 0.37 1.79 1.03 0.28 0.00 0.00 0.00 173.10 176.57 2otj n LYS 176 N 0.30 1.00 0.00 2.90 5.02 -1.26 -4.78 118.16 121.33 2otj n LYS 176 Ca 0.03 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 2otj n LYS 176 Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2otj n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2otj n GLY 177 N 1.42 2.99 3.60 0.72 0.00 -1.26 -4.99 105.19 107.67 2otj n GLY 177 Ca 0.08 -0.24 -0.52 0.00 0.00 0.00 0.00 46.02 45.34 2otj n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2otj n LYS 178 N 0.00 1.17 0.00 1.61 4.81 -1.26 -1.89 118.16 122.60 2otj n LYS 178 Ca 0.00 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 2otj n LYS 178 Cb 0.00 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 32.98 2otj n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2otj n GLY 179 N 2.59 1.35 1.95 3.14 0.00 -1.26 -4.94 105.19 108.01 2otj n GLY 179 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2otj n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2otj n SER 180 N 0.00 5.23 0.06 1.61 3.41 -0.79 -4.67 113.62 118.47 2otj n SER 180 Ca 0.00 -3.77 -0.12 0.00 -0.26 0.00 0.00 58.87 54.72 2otj n SER 180 Cb 0.00 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.25 2otj n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2otj h GLU 181 N 1.75 0.40 -0.00 4.33 3.07 -1.90 -3.23 114.58 119.00 2otj h GLU 181 Ca 0.44 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2otj h GLU 181 Cb 1.42 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 2otj h GLU 181 CO 1.00 1.06 -0.80 1.63 -1.40 0.00 0.00 179.01 180.49 2otj n LYS 182 N -3.77 0.11 -0.08 2.33 4.76 -1.26 -4.58 118.16 115.66 2otj n LYS 182 Ca -0.06 -0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.21 2otj n LYS 182 Cb 0.79 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.44 2otj n LYS 182 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2otj h THR 183 N 0.20 0.23 -3.76 -0.18 1.35 -1.84 -3.40 112.91 105.51 2otj h THR 183 Ca 0.00 -1.29 -0.49 0.00 -0.55 0.00 0.00 66.41 64.08 2otj h THR 183 Cb 0.52 0.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 2otj h THR 183 CO 0.00 0.08 0.27 -0.60 -0.25 0.00 0.00 175.52 175.02 2otj s ARG 184 N -2.26 4.54 0.38 4.72 3.52 -1.22 -1.69 118.95 126.94 2otj s ARG 184 Ca -0.18 1.22 0.20 0.00 -0.13 0.00 0.00 55.73 56.85 2otj s ARG 184 Cb 0.03 -2.92 0.32 0.00 -1.56 0.00 0.00 34.95 30.82 2otj s ARG 184 CO 0.31 0.36 1.58 -1.00 -0.81 0.00 0.00 175.30 175.73 2otj h PRO 185 N 3.45 0.00 -3.00 5.12 0.13 -1.91 -3.47 132.00 132.33 2otj h PRO 185 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2otj h PRO 185 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 2otj h PRO 185 CO 0.65 0.21 -0.18 -1.54 -0.23 0.00 0.00 178.00 176.91 2otj s SER 186 N -6.28 -0.25 0.11 1.44 1.04 -0.68 -5.05 113.70 104.03 2otj s SER 186 Ca 0.05 0.06 -0.17 0.00 0.48 0.00 0.00 55.95 56.37 2otj s SER 186 Cb 0.06 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2otj s SER 186 CO 0.69 -0.56 1.60 -0.07 0.98 0.00 0.00 173.24 175.87 2otj h LEU 187 N 3.39 0.53 -0.79 2.42 3.38 -1.75 -3.02 115.31 119.48 2otj h LEU 187 Ca -0.30 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 2otj h LEU 187 Cb 1.19 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2otj h LEU 187 CO 0.42 0.65 0.43 -0.09 0.09 0.00 0.00 178.44 179.94 2otj h ARG 188 N 0.39 1.10 0.00 1.13 2.43 -1.90 -1.01 114.38 116.53 2otj h ARG 188 Ca 0.10 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2otj h ARG 188 Cb 0.34 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2otj h ARG 188 CO 0.00 0.81 -0.00 0.66 -1.51 0.00 0.00 179.97 179.93 2otj h SER 189 N 1.09 0.00 -0.49 -3.80 4.64 -1.93 -2.15 113.55 110.91 2otj h SER 189 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 2otj h SER 189 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2otj h SER 189 CO -0.04 0.00 0.01 0.59 -0.87 0.00 0.00 176.83 176.51 2otj n ASN 190 N -3.09 4.99 -0.78 4.97 3.02 -0.65 -4.90 115.26 118.82 2otj n ASN 190 Ca -0.00 -2.79 -0.10 0.00 -0.03 0.00 0.00 54.58 51.65 2otj n ASN 190 Cb 0.24 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.70 2otj n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2otj n GLY 191 N 0.51 1.15 3.41 7.41 0.00 -0.81 -3.69 105.19 113.16 2otj n GLY 191 Ca 0.24 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 2otj n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 192 N -1.51 -0.67 0.32 -0.02 0.00 -0.47 -4.95 105.19 97.89 2otj n GLY 192 Ca -0.10 0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.25 2otj n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2otj n LYS 193 N -3.82 2.88 0.00 1.61 5.02 -1.24 -5.07 118.16 117.54 2otj n LYS 193 Ca -0.20 -1.83 0.12 0.00 -2.02 0.00 0.00 58.31 54.38 2otj n LYS 193 Cb 0.65 -1.17 0.14 0.00 -0.02 0.00 0.00 35.03 34.63 2otj n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88