#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2q n LEU 5 N 0.00 3.51 -3.88 1.53 7.94 -0.58 -4.73 117.00 120.78 1u2q n LEU 5 Ca 0.00 1.03 -0.29 0.00 -1.11 0.00 0.00 56.01 55.64 1u2q n LEU 5 Cb 0.00 -1.43 -0.16 0.00 0.53 0.00 0.00 43.42 42.36 1u2q n LEU 5 CO 0.00 -1.16 -0.42 -2.28 -1.11 0.00 0.00 177.39 172.43 1u2q s HIS 6 N -1.28 1.76 -0.11 1.96 5.65 -1.26 0.34 115.29 122.34 1u2q s HIS 6 Ca 0.65 -1.20 0.03 0.00 0.25 0.00 0.00 55.06 54.79 1u2q s HIS 6 Cb -0.51 -1.33 -0.00 0.00 -1.18 0.00 0.00 32.58 29.56 1u2q s HIS 6 CO 0.55 -0.65 -0.21 0.08 -0.65 0.00 0.00 174.74 173.86 1u2q s VAL 7 N 1.61 2.29 0.06 0.89 1.01 -0.31 -0.27 120.40 125.67 1u2q s VAL 7 Ca -0.01 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1u2q s VAL 7 Cb -0.16 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1u2q s VAL 7 CO -0.07 0.55 -0.20 0.28 0.00 0.00 0.00 175.10 175.66 1u2q s THR 8 N 0.43 1.59 -0.12 3.92 -1.32 -0.82 -2.06 115.64 117.25 1u2q s THR 8 Ca -0.15 -1.27 -0.04 0.00 -1.21 0.00 0.00 61.69 59.02 1u2q s THR 8 Cb -0.17 -1.41 -0.03 0.00 -1.51 0.00 0.00 72.50 69.38 1u2q s THR 8 CO 0.06 0.09 0.02 -0.36 -2.21 0.00 0.00 174.62 172.22 1u2q s PHE 9 N -0.93 3.19 -0.07 9.09 0.40 -0.15 -0.73 117.98 128.79 1u2q s PHE 9 Ca 0.06 0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 1u2q s PHE 9 Cb -0.09 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.55 1u2q s PHE 9 CO 0.02 0.31 -0.11 0.08 0.70 0.00 0.00 175.22 176.22 1u2q s VAL 10 N -0.35 1.09 0.00 -0.44 1.01 0.41 -0.92 120.40 121.20 1u2q s VAL 10 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1u2q s VAL 10 Cb -0.12 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1u2q s VAL 10 CO 0.02 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.47 1u2q h THR 12 N 0.00 0.62 0.00 0.00 2.02 -1.93 -1.27 112.91 112.34 1u2q h THR 12 Ca 0.00 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1u2q h THR 12 Cb 0.00 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1u2q h THR 12 CO 0.00 0.21 -1.47 0.61 0.37 0.00 0.00 175.52 175.24 1u2q n GLY 13 N 1.51 -1.06 2.95 2.16 0.00 -1.26 -0.18 105.19 109.31 1u2q n GLY 13 Ca -0.23 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1u2q n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u2q n ASN 14 N -1.98 -5.40 0.00 1.61 4.05 -1.26 -4.67 115.26 107.62 1u2q n ASN 14 Ca -0.00 -0.32 0.00 0.00 0.45 0.00 0.00 54.58 54.71 1u2q n ASN 14 Cb 0.47 -4.14 0.00 0.00 1.23 0.00 0.00 39.78 37.34 1u2q n ASN 14 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1u2q n ILE 15 N -4.39 0.00 0.00 -1.44 -5.35 -1.26 -4.55 119.36 102.38 1u2q n ILE 15 Ca -0.05 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1u2q n ILE 15 Cb 0.58 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 1u2q n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u2q h ARG 17 N 0.00 -0.83 -0.64 0.00 3.08 -1.97 -2.91 114.38 111.12 1u2q h ARG 17 Ca 0.00 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.19 1u2q h ARG 17 Cb 0.00 0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 1u2q h ARG 17 CO 0.00 -0.55 0.30 0.66 -1.07 0.00 0.00 179.97 179.31 1u2q h SER 18 N -0.98 0.37 -0.28 7.04 4.64 -1.89 -2.04 113.55 120.42 1u2q h SER 18 Ca -0.09 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1u2q h SER 18 Cb 0.66 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1u2q h SER 18 CO 0.14 0.23 0.11 1.55 -0.87 0.00 0.00 176.83 177.99 1u2q h PRO 19 N 0.53 0.49 -0.14 4.77 0.13 -1.82 -0.95 132.00 135.00 1u2q h PRO 19 Ca 0.31 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.34 1u2q h PRO 19 Cb 0.32 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 1u2q h PRO 19 CO -0.25 0.43 -0.05 0.52 -0.23 0.00 0.00 178.00 178.42 1u2q h MET 20 N 0.49 0.29 -0.16 0.86 2.86 -1.19 -2.65 114.93 115.43 1u2q h MET 20 Ca 0.12 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1u2q h MET 20 Cb 0.15 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1u2q h MET 20 CO -0.01 0.60 -0.08 0.00 1.06 0.00 0.00 176.91 178.48 1u2q h ALA 21 N 0.68 0.06 -0.21 6.32 0.00 -1.04 -0.46 119.26 124.61 1u2q h ALA 21 Ca 0.03 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1u2q h ALA 21 Cb 0.50 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1u2q h ALA 21 CO 0.02 -0.52 -0.45 1.49 0.00 0.00 0.00 179.25 179.80 1u2q h GLU 22 N -0.06 -0.45 -0.51 0.00 4.81 -1.14 -0.53 114.58 116.70 1u2q h GLU 22 Ca 0.09 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1u2q h GLU 22 Cb 0.19 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1u2q h GLU 22 CO -0.20 -0.30 0.07 0.87 -0.73 0.00 0.00 179.01 178.73 1u2q h LYS 23 N -0.46 0.85 -0.27 1.92 1.79 -1.25 0.22 116.57 119.37 1u2q h LYS 23 Ca 0.08 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1u2q h LYS 23 Cb 0.62 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1u2q h LYS 23 CO -0.45 0.85 0.16 0.52 -1.08 0.00 0.00 179.45 179.44 1u2q h MET 24 N 0.73 0.38 -0.14 3.15 2.86 -0.90 -0.18 114.93 120.84 1u2q h MET 24 Ca 0.15 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1u2q h MET 24 Cb 0.41 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1u2q h MET 24 CO 0.01 0.32 0.03 0.35 1.06 0.00 0.00 176.91 178.68 1u2q h PHE 25 N 0.33 0.24 -0.30 -0.22 3.57 -1.03 -1.93 116.94 117.60 1u2q h PHE 25 Ca 0.10 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1u2q h PHE 25 Cb 0.04 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 1u2q h PHE 25 CO -0.04 0.37 -0.12 0.00 -2.23 0.00 0.00 178.31 176.29 1u2q h ALA 26 N 0.83 0.13 -0.14 2.41 0.00 -0.77 0.06 119.26 121.78 1u2q h ALA 26 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1u2q h ALA 26 Cb 0.26 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1u2q h ALA 26 CO 0.00 -0.51 -0.25 0.37 0.00 0.00 0.00 179.25 178.86 1u2q h GLN 27 N -0.07 -0.29 -0.22 0.00 5.75 -0.84 -0.77 115.11 118.67 1u2q h GLN 27 Ca 0.15 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.71 1u2q h GLN 27 Cb 0.30 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 1u2q h GLN 27 CO -0.35 -0.19 -0.03 1.96 -2.65 0.00 0.00 178.83 177.57 1u2q h GLN 28 N -0.30 0.03 -0.98 1.69 4.20 -0.81 -0.48 115.11 118.46 1u2q h GLN 28 Ca 0.10 -0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.00 1u2q h GLN 28 Cb 0.46 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.13 1u2q h GLN 28 CO -0.32 0.02 0.58 -0.07 -0.67 0.00 0.00 178.83 178.37 1u2q h LEU 29 N 0.03 0.73 -0.36 1.46 3.38 -0.30 0.98 115.31 121.22 1u2q h LEU 29 Ca 0.10 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1u2q h LEU 29 Cb 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1u2q h LEU 29 CO -0.20 0.24 0.17 0.03 0.09 0.00 0.00 178.44 178.77 1u2q h ARG 30 N 0.71 0.52 -0.53 1.13 3.08 0.31 0.11 114.38 119.73 1u2q h ARG 30 Ca 0.57 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.52 1u2q h ARG 30 Cb 0.91 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1u2q h ARG 30 CO -0.40 0.47 0.25 0.45 -1.07 0.00 0.00 179.97 179.68 1u2q h HIS 31 N 0.45 0.72 -0.03 3.04 3.86 0.31 -1.45 115.15 122.06 1u2q h HIS 31 Ca 0.12 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1u2q h HIS 31 Cb 0.12 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1u2q h HIS 31 CO -0.01 0.54 0.00 0.54 0.86 0.00 0.00 177.93 179.85 1u2q n ARG 32 N -4.37 1.09 -1.11 2.45 1.74 0.03 -4.87 116.66 111.61 1u2q n ARG 32 Ca 0.04 -0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 56.95 1u2q n ARG 32 Cb 0.12 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 1u2q n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u2q n GLY 33 N 0.76 0.56 1.79 -0.13 0.00 -0.55 -4.86 105.19 102.77 1u2q n GLY 33 Ca 0.11 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1u2q n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u2q n LEU 34 N -0.43 5.40 -0.16 0.99 4.77 0.35 -4.65 117.00 123.27 1u2q n LEU 34 Ca -0.04 -2.74 -0.02 0.00 -0.03 0.00 0.00 56.01 53.18 1u2q n LEU 34 Cb 0.31 -0.65 0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1u2q n LEU 34 CO 0.06 0.69 0.83 1.23 -1.33 0.00 0.00 177.39 178.87 1u2q h GLY 35 N 4.11 0.49 1.60 -0.72 0.00 -1.80 -2.40 103.07 104.34 1u2q h GLY 35 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1u2q h GLY 35 CO 0.40 -0.15 -0.23 1.22 0.00 0.00 0.00 176.54 177.79 1u2q n ASP 36 N -5.25 0.36 0.03 0.19 8.00 -1.26 -3.86 116.55 114.76 1u2q n ASP 36 Ca 0.05 0.25 -0.07 0.00 0.71 0.00 0.00 54.79 55.73 1u2q n ASP 36 Cb 0.27 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 1u2q n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u2q h ALA 37 N 2.86 0.53 -4.37 2.24 0.00 -1.77 -3.46 119.26 115.30 1u2q h ALA 37 Ca 0.00 -1.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.22 1u2q h ALA 37 Cb 0.57 0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.16 1u2q h ALA 37 CO 0.00 1.33 -0.86 0.08 0.00 0.00 0.00 179.25 179.80 1u2q s VAL 38 N -2.69 1.64 -0.18 0.00 1.01 -1.07 -1.53 120.40 117.58 1u2q s VAL 38 Ca -0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1u2q s VAL 38 Cb 0.09 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1u2q s VAL 38 CO 0.82 0.46 0.01 -0.60 0.00 0.00 0.00 175.10 175.79 1u2q s ARG 39 N -0.43 3.76 -0.12 2.72 3.52 0.15 -4.85 118.95 123.71 1u2q s ARG 39 Ca 0.06 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1u2q s ARG 39 Cb -0.09 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1u2q s ARG 39 CO -0.00 0.17 -0.20 0.08 -0.81 0.00 0.00 175.30 174.53 1u2q s VAL 40 N 0.61 1.83 0.29 7.11 1.01 -1.26 -1.17 120.40 128.82 1u2q s VAL 40 Ca 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1u2q s VAL 40 Cb -0.14 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1u2q s VAL 40 CO 0.02 0.51 0.17 0.35 0.00 0.00 0.00 175.10 176.15 1u2q n THR 41 N 3.97 0.00 -3.63 3.92 -2.24 -0.87 -5.00 114.28 110.43 1u2q n THR 41 Ca -0.20 -1.91 -0.15 0.00 -2.27 0.00 0.00 64.05 59.53 1u2q n THR 41 Cb 0.52 0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 1u2q n THR 41 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u2q s SER 42 N -2.91 -0.61 0.14 3.42 1.04 -1.26 -0.98 113.70 112.54 1u2q s SER 42 Ca 0.24 0.97 -0.08 0.00 0.48 0.00 0.00 55.95 57.55 1u2q s SER 42 Cb 0.01 0.95 -0.01 0.00 0.10 0.00 0.00 66.02 67.07 1u2q s SER 42 CO 0.17 -0.36 0.24 0.00 0.98 0.00 0.00 173.24 174.27 1u2q s ALA 43 N -0.32 -0.01 0.18 5.32 0.00 -0.09 -4.52 121.76 122.33 1u2q s ALA 43 Ca -0.05 -0.85 0.11 0.00 0.00 0.00 0.00 51.96 51.17 1u2q s ALA 43 Cb -0.03 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1u2q s ALA 43 CO 0.04 -0.60 -0.22 0.20 0.00 0.00 0.00 175.76 175.19 1u2q s GLY 44 N -2.94 1.70 0.33 0.00 0.00 -0.26 -2.79 107.32 103.37 1u2q s GLY 44 Ca 0.14 -1.59 0.15 0.00 0.00 0.00 0.00 44.72 43.42 1u2q s GLY 44 CO -0.03 -1.61 1.67 -0.91 0.00 0.00 0.00 173.10 172.23 1u2q h THR 45 N 3.19 1.13 -3.22 0.90 1.35 -0.80 0.46 112.91 115.92 1u2q h THR 45 Ca -0.47 -1.80 -0.45 0.00 -0.55 0.00 0.00 66.41 63.15 1u2q h THR 45 Cb 1.20 2.03 0.07 0.00 -1.73 0.00 0.00 68.15 69.72 1u2q h THR 45 CO 0.48 0.47 0.12 -0.83 -0.25 0.00 0.00 175.52 175.51 1u2q s GLY 46 N -4.41 1.75 0.00 5.82 0.00 0.75 -4.80 107.32 106.43 1u2q s GLY 46 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1u2q s GLY 46 CO 0.72 -0.74 0.82 1.16 0.00 0.00 0.00 173.10 175.06 1u2q n ASN 47 N -2.68 1.30 -0.43 1.64 6.94 -1.26 -4.62 115.26 116.15 1u2q n ASN 47 Ca 0.08 -1.65 0.07 0.00 -0.02 0.00 0.00 54.58 53.06 1u2q n ASN 47 Cb 0.60 0.00 0.25 0.00 -2.36 0.00 0.00 39.78 38.27 1u2q n ASN 47 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 1u2q n TRP 48 N -0.32 0.25 -0.20 -2.53 2.14 -1.26 -3.71 117.44 111.80 1u2q n TRP 48 Ca 0.00 -0.13 0.00 0.00 2.07 0.00 0.00 57.50 59.44 1u2q n TRP 48 Cb 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.83 1u2q n TRP 48 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 1u2q n HIS 49 N 0.13 0.00 -1.37 -2.67 8.25 -1.26 -5.06 115.22 113.24 1u2q n HIS 49 Ca 0.12 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 57.04 1u2q n HIS 49 Cb 0.23 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.26 1u2q n HIS 49 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1u2q n VAL 50 N -0.30 0.00 0.00 1.59 0.31 -1.24 -0.27 118.33 118.42 1u2q n VAL 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1u2q n VAL 50 Cb 0.05 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1u2q n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2q n GLY 51 N 2.20 2.59 3.81 2.92 0.00 0.86 -4.90 105.19 112.67 1u2q n GLY 51 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1u2q n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u2q s SER 52 N -2.79 6.08 0.88 1.61 0.01 0.63 -4.31 113.70 115.81 1u2q s SER 52 Ca 0.00 1.78 -0.11 0.00 1.31 0.00 0.00 55.95 58.93 1u2q s SER 52 Cb 0.00 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.82 1u2q s SER 52 CO 0.00 -0.96 1.09 0.00 0.41 0.00 0.00 173.24 173.78 1u2q s ALA 54 N -2.90 2.26 0.29 0.00 0.00 -1.25 -4.79 121.76 115.38 1u2q s ALA 54 Ca 0.63 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 1u2q s ALA 54 Cb -0.18 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 1u2q s ALA 54 CO 0.57 -1.62 1.35 -3.47 0.00 0.00 0.00 175.76 172.59 1u2q n ASP 55 N -2.61 2.78 -0.11 0.00 -0.08 0.28 -4.76 116.55 112.04 1u2q n ASP 55 Ca 0.12 1.18 -0.05 0.00 -1.51 0.00 0.00 54.79 54.53 1u2q n ASP 55 Cb 0.51 -1.46 0.02 0.00 2.34 0.00 0.00 41.12 42.53 1u2q n ASP 55 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1u2q h GLU 56 N 3.38 0.04 -0.43 -0.67 3.07 -1.91 0.13 114.58 118.19 1u2q h GLU 56 Ca -0.45 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1u2q h GLU 56 Cb 1.28 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.16 1u2q h GLU 56 CO 0.69 0.02 0.28 0.00 -1.40 0.00 0.00 179.01 178.60 1u2q h ARG 57 N 0.04 0.57 0.09 2.33 -0.00 -1.96 0.31 114.38 115.76 1u2q h ARG 57 Ca 0.19 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1u2q h ARG 57 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.12 1u2q h ARG 57 CO -0.36 0.38 -0.05 0.00 0.00 0.00 0.00 179.97 179.94 1u2q h ALA 58 N 1.72 -0.13 -0.66 0.04 0.00 -1.57 -2.43 119.26 116.23 1u2q h ALA 58 Ca 0.16 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1u2q h ALA 58 Cb -0.06 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1u2q h ALA 58 CO -0.03 -0.41 0.37 0.00 0.00 0.00 0.00 179.25 179.18 1u2q h ALA 59 N 0.42 0.89 -1.00 0.00 0.00 -0.23 -1.97 119.26 117.37 1u2q h ALA 59 Ca -0.01 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1u2q h ALA 59 Cb 0.37 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1u2q h ALA 59 CO 0.02 0.06 0.64 0.78 0.00 0.00 0.00 179.25 180.75 1u2q h GLY 60 N 0.70 1.60 1.04 0.00 0.00 -0.28 0.57 103.07 106.69 1u2q h GLY 60 Ca 0.29 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 1u2q h GLY 60 CO -0.17 0.22 -0.71 -2.08 0.00 0.00 0.00 176.54 173.80 1u2q h VAL 61 N 1.05 1.32 -0.06 4.60 2.07 -0.92 -1.86 116.25 122.45 1u2q h VAL 61 Ca 0.48 -1.98 0.01 0.00 0.82 0.00 0.00 66.70 66.04 1u2q h VAL 61 Cb 0.39 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1u2q h VAL 61 CO -0.23 0.61 -0.03 -0.07 0.02 0.00 0.00 177.57 177.87 1u2q h LEU 62 N 0.31 -0.08 -0.17 2.57 3.38 -0.91 -2.12 115.31 118.28 1u2q h LEU 62 Ca -0.06 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1u2q h LEU 62 Cb 1.36 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.11 1u2q h LEU 62 CO 0.14 -0.04 -0.11 -0.09 0.09 0.00 0.00 178.44 178.44 1u2q h ARG 63 N -0.02 -0.11 -0.48 1.13 2.43 -0.92 0.49 114.38 116.90 1u2q h ARG 63 Ca 0.03 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 1u2q h ARG 63 Cb 0.07 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1u2q h ARG 63 CO -0.07 -0.07 0.37 0.00 -1.51 0.00 0.00 179.97 178.69 1u2q h ALA 64 N 1.02 2.38 -0.72 2.80 0.00 -1.00 0.19 119.26 123.93 1u2q h ALA 64 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u2q h ALA 64 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1u2q h ALA 64 CO -0.24 -0.62 0.00 0.72 0.00 0.00 0.00 179.25 179.11 1u2q n HIS 65 N -4.23 0.96 -1.85 0.00 8.25 -0.50 -4.96 115.22 112.90 1u2q n HIS 65 Ca 0.09 -0.48 -0.05 0.00 -0.26 0.00 0.00 57.72 57.01 1u2q n HIS 65 Cb 0.58 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.69 1u2q n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u2q n GLY 66 N 1.66 0.32 3.80 -1.41 0.00 0.65 -5.06 105.19 105.16 1u2q n GLY 66 Ca 0.24 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 1u2q n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u2q s TYR 67 N -2.23 3.15 0.58 1.61 1.51 0.05 -4.99 117.35 117.03 1u2q s TYR 67 Ca 0.00 -0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 55.85 1u2q s TYR 67 Cb 0.00 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1u2q s TYR 67 CO 0.00 0.52 1.19 -2.14 -1.11 0.00 0.00 175.55 174.01 1u2q s PRO 68 N -3.16 3.06 0.00 -1.71 0.02 -1.26 -3.86 135.00 128.09 1u2q s PRO 68 Ca 0.31 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1u2q s PRO 68 Cb -0.10 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1u2q s PRO 68 CO 0.24 -1.12 0.20 0.25 -0.33 0.00 0.00 177.00 176.24 1u2q n THR 69 N -1.52 0.00 -1.67 0.99 -2.24 -1.26 -4.86 114.28 103.72 1u2q n THR 69 Ca 0.13 -0.44 -0.46 0.00 -2.27 0.00 0.00 64.05 61.01 1u2q n THR 69 Cb 0.50 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 1u2q n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u2q n ASP 70 N -0.48 3.06 -3.59 3.42 8.00 -1.26 -4.69 116.55 121.01 1u2q n ASP 70 Ca 0.00 1.08 -0.12 0.00 0.71 0.00 0.00 54.79 56.46 1u2q n ASP 70 Cb 0.01 -1.41 -0.06 0.00 -0.02 0.00 0.00 41.12 39.64 1u2q n ASP 70 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1u2q s HIS 71 N 1.09 -0.49 -0.17 1.24 2.46 -1.26 -5.01 115.29 113.15 1u2q s HIS 71 Ca 0.80 1.00 -0.03 0.00 0.47 0.00 0.00 55.06 57.30 1u2q s HIS 71 Cb -0.69 0.40 0.06 0.00 -0.13 0.00 0.00 32.58 32.21 1u2q s HIS 71 CO 0.39 -0.35 0.04 0.50 -2.47 0.00 0.00 174.74 172.85 1u2q s ARG 72 N -0.54 0.55 0.28 2.88 3.52 -1.26 -3.95 118.95 120.42 1u2q s ARG 72 Ca -0.01 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 54.99 1u2q s ARG 72 Cb -0.02 -1.91 -0.11 0.00 -1.56 0.00 0.00 34.95 31.35 1u2q s ARG 72 CO 0.00 -0.60 1.58 0.00 -0.81 0.00 0.00 175.30 175.48 1u2q s ALA 73 N 1.92 3.74 0.07 6.12 0.00 0.91 -4.72 121.76 129.80 1u2q s ALA 73 Ca 0.00 1.53 0.07 0.00 0.00 0.00 0.00 51.96 53.56 1u2q s ALA 73 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1u2q s ALA 73 CO -0.08 -0.94 -0.18 0.00 0.00 0.00 0.00 175.76 174.56 1u2q s ALA 74 N 0.12 1.55 0.23 0.00 0.00 -1.26 0.30 121.76 122.70 1u2q s ALA 74 Ca 0.64 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.43 1u2q s ALA 74 Cb -0.47 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.35 1u2q s ALA 74 CO 0.46 0.31 0.56 -1.14 0.00 0.00 0.00 175.76 175.94 1u2q s GLN 75 N -1.52 3.82 0.08 0.00 0.74 -1.26 -1.10 119.66 120.43 1u2q s GLN 75 Ca 0.04 0.31 -0.35 0.00 0.05 0.00 0.00 55.36 55.41 1u2q s GLN 75 Cb -0.09 -2.64 -0.14 0.00 1.10 0.00 0.00 33.01 31.24 1u2q s GLN 75 CO 0.03 0.31 1.58 0.28 -0.55 0.00 0.00 175.29 176.94 1u2q n VAL 76 N -0.12 0.11 -3.47 1.34 0.31 0.16 -4.68 118.33 111.98 1u2q n VAL 76 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1u2q n VAL 76 Cb 0.52 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1u2q n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2q n GLY 77 N 3.41 4.63 0.35 2.92 0.00 -1.26 -5.00 105.19 110.25 1u2q n GLY 77 Ca 0.19 -1.53 0.02 0.00 0.00 0.00 0.00 46.02 44.70 1u2q n GLY 77 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1u2q h THR 78 N 0.47 1.07 -0.26 2.61 2.02 -1.98 -1.20 112.91 115.65 1u2q h THR 78 Ca 0.00 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 66.86 1u2q h THR 78 Cb 0.00 -0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.21 1u2q h THR 78 CO 0.00 0.20 -0.16 -0.08 0.37 0.00 0.00 175.52 175.85 1u2q h GLU 79 N 1.11 -0.14 -0.02 6.66 4.57 -1.96 -2.10 114.58 122.69 1u2q h GLU 79 Ca 0.41 0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 58.35 1u2q h GLU 79 Cb 0.17 0.03 0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1u2q h GLU 79 CO -0.17 -0.09 -0.98 0.45 -1.18 0.00 0.00 179.01 177.04 1u2q h HIS 80 N -0.14 0.96 0.00 0.92 3.86 -1.87 -3.07 115.15 115.81 1u2q h HIS 80 Ca 0.14 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1u2q h HIS 80 Cb 0.35 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1u2q h HIS 80 CO -0.34 1.34 0.00 1.28 0.86 0.00 0.00 177.93 181.07 1u2q n LEU 81 N -3.84 0.42 -0.78 2.43 4.77 -0.48 -1.21 117.00 118.30 1u2q n LEU 81 Ca -0.10 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 1u2q n LEU 81 Cb 0.85 -0.69 0.24 0.00 -2.33 0.00 0.00 43.42 41.49 1u2q n LEU 81 CO 0.54 -0.74 0.70 0.00 -1.33 0.00 0.00 177.39 176.57 1u2q n ALA 82 N -1.70 2.54 -1.01 -1.18 0.00 -0.81 -4.94 120.51 113.41 1u2q n ALA 82 Ca -0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 53.44 52.52 1u2q n ALA 82 Cb 0.07 -0.93 0.13 0.00 0.00 0.00 0.00 19.45 18.72 1u2q n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2q s ALA 83 N -2.02 1.89 0.11 0.00 0.00 -0.35 -4.93 121.76 116.44 1u2q s ALA 83 Ca 0.31 0.47 0.14 0.00 0.00 0.00 0.00 51.96 52.88 1u2q s ALA 83 Cb 0.20 -3.37 0.30 0.00 0.00 0.00 0.00 23.12 20.25 1u2q s ALA 83 CO 0.32 -2.23 1.55 -0.44 0.00 0.00 0.00 175.76 174.97 1u2q h ASP 84 N -1.38 0.00 -2.99 0.00 3.32 -0.98 -3.43 116.42 110.95 1u2q h ASP 84 Ca -0.44 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.41 1u2q h ASP 84 Cb 1.25 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.49 1u2q h ASP 84 CO 0.47 0.58 -0.51 -0.22 -1.72 0.00 0.00 179.24 177.83 1u2q s LEU 85 N -6.97 -0.12 -0.31 1.55 2.96 -1.08 -4.87 118.68 109.85 1u2q s LEU 85 Ca 0.01 0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 54.41 1u2q s LEU 85 Cb 0.10 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.52 1u2q s LEU 85 CO 0.74 -0.22 0.16 -0.76 -1.32 0.00 0.00 176.35 174.96 1u2q s LEU 86 N 2.09 4.11 -0.30 -0.68 2.01 -0.12 -1.94 118.68 123.85 1u2q s LEU 86 Ca -0.02 -0.42 -0.08 0.00 0.01 0.00 0.00 54.13 53.62 1u2q s LEU 86 Cb -0.11 -2.03 0.00 0.00 0.01 0.00 0.00 46.19 44.05 1u2q s LEU 86 CO -0.09 -0.17 0.12 -0.69 1.01 0.00 0.00 176.35 176.53 1u2q s VAL 87 N 1.65 4.27 0.04 -1.59 1.01 0.09 -0.97 120.40 124.90 1u2q s VAL 87 Ca 0.05 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 1u2q s VAL 87 Cb -0.17 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 1u2q s VAL 87 CO 0.07 0.07 0.47 0.00 0.00 0.00 0.00 175.10 175.71 1u2q s ALA 88 N 1.55 3.66 0.03 5.51 0.00 0.24 -0.44 121.76 132.30 1u2q s ALA 88 Ca 0.03 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 1u2q s ALA 88 Cb -0.17 -2.46 -0.20 0.00 0.00 0.00 0.00 23.12 20.29 1u2q s ALA 88 CO 0.04 0.46 1.19 -0.07 0.00 0.00 0.00 175.76 177.38 1u2q h LEU 89 N 4.48 0.57 -9.28 0.00 -0.00 -1.60 -1.22 115.31 108.26 1u2q h LEU 89 Ca -0.51 -0.68 -0.49 0.00 -0.00 0.00 0.00 57.88 56.21 1u2q h LEU 89 Cb 1.21 -0.17 -0.14 0.00 -0.00 0.00 0.00 40.66 41.57 1u2q h LEU 89 CO 0.63 1.16 -0.58 1.51 -0.00 0.00 0.00 178.44 181.16 1u2q s ASP 90 N -6.67 2.43 0.27 -0.43 1.47 -1.26 -1.69 116.67 110.80 1u2q s ASP 90 Ca -0.13 -1.46 0.23 0.00 1.18 0.00 0.00 52.55 52.38 1u2q s ASP 90 Cb 0.05 0.09 1.01 0.00 -0.34 0.00 0.00 42.92 43.73 1u2q s ASP 90 CO 0.82 -0.70 1.71 -2.11 0.68 0.00 0.00 175.17 175.57 1u2q n ARG 91 N -0.74 0.19 0.10 2.11 1.85 -1.26 -2.52 116.66 116.39 1u2q n ARG 91 Ca -0.03 0.45 -0.17 0.00 -1.00 0.00 0.00 57.85 57.10 1u2q n ARG 91 Cb 0.66 -1.89 -0.13 0.00 -1.05 0.00 0.00 32.46 30.06 1u2q n ARG 91 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1u2q h ASN 92 N 0.00 0.51 -0.43 2.89 -0.26 -1.99 -2.03 115.58 114.28 1u2q h ASN 92 Ca 0.00 -0.52 -0.07 0.00 -0.56 0.00 0.00 56.30 55.15 1u2q h ASN 92 Cb 0.33 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.40 1u2q h ASN 92 CO 0.00 1.39 0.02 0.45 -1.06 0.00 0.00 177.43 178.23 1u2q h HIS 93 N 0.12 0.87 -0.68 1.19 3.86 -1.84 -1.40 115.15 117.27 1u2q h HIS 93 Ca -0.14 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 58.88 1u2q h HIS 93 Cb 1.93 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 30.13 1u2q h HIS 93 CO 0.07 0.79 0.18 0.00 0.86 0.00 0.00 177.93 179.83 1u2q h ALA 94 N 1.25 0.90 -0.53 2.45 0.00 -1.44 -1.43 119.26 120.45 1u2q h ALA 94 Ca 0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1u2q h ALA 94 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1u2q h ALA 94 CO 0.02 0.61 0.05 -0.09 0.00 0.00 0.00 179.25 179.84 1u2q h ARG 95 N 1.02 0.90 -0.19 0.00 2.43 -0.83 -2.60 114.38 115.11 1u2q h ARG 95 Ca 0.22 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1u2q h ARG 95 Cb 0.35 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1u2q h ARG 95 CO 0.00 0.90 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.18 1u2q h LEU 96 N 0.78 0.41 -1.63 3.80 3.38 -1.07 -1.23 115.31 119.76 1u2q h LEU 96 Ca 0.16 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1u2q h LEU 96 Cb 0.45 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1u2q h LEU 96 CO 0.02 0.74 0.26 -0.07 0.09 0.00 0.00 178.44 179.47 1u2q h LEU 97 N 0.08 0.44 -0.30 1.67 3.38 -1.29 0.19 115.31 119.48 1u2q h LEU 97 Ca 0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1u2q h LEU 97 Cb 0.59 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1u2q h LEU 97 CO 0.03 0.32 -0.01 -0.09 0.09 0.00 0.00 178.44 178.77 1u2q h ARG 98 N 0.52 0.53 0.00 1.13 9.65 -1.28 -2.27 114.38 122.66 1u2q h ARG 98 Ca 0.14 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1u2q h ARG 98 Cb -0.05 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1u2q h ARG 98 CO -0.03 0.69 0.00 1.96 2.80 0.00 0.00 179.97 185.39 1u2q h GLN 99 N 0.32 0.00 -0.00 0.20 4.20 -0.16 -2.30 115.11 117.37 1u2q h GLN 99 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1u2q h GLN 99 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1u2q h GLN 99 CO 0.02 0.00 -0.01 -0.11 -0.67 0.00 0.00 178.83 178.06 1u2q n LEU 100 N -2.42 0.39 0.00 1.46 7.94 0.56 -4.90 117.00 120.03 1u2q n LEU 100 Ca 0.02 -0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1u2q n LEU 100 Cb 0.29 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.21 1u2q n LEU 100 CO 0.23 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.19 1u2q n GLY 101 N 1.08 1.69 3.73 -3.96 0.00 -0.87 -5.06 105.19 101.81 1u2q n GLY 101 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1u2q n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2q s VAL 102 N -2.22 3.47 0.51 1.61 1.01 -1.07 -4.99 120.40 118.72 1u2q s VAL 102 Ca 0.00 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.94 1u2q s VAL 102 Cb 0.00 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1u2q s VAL 102 CO 0.00 0.16 1.17 -1.83 0.00 0.00 0.00 175.10 174.60 1u2q s GLU 103 N 0.12 3.51 0.34 2.72 1.03 -1.26 -4.44 118.70 120.72 1u2q s GLU 103 Ca 0.56 1.76 0.13 0.00 0.03 0.00 0.00 54.97 57.45 1u2q s GLU 103 Cb -0.34 -2.22 1.05 0.00 -0.80 0.00 0.00 34.13 31.82 1u2q s GLU 103 CO 0.36 -0.76 1.68 0.00 -1.33 0.00 0.00 175.26 175.21 1u2q h ALA 104 N 1.61 1.92 0.00 -0.84 0.00 -1.94 -1.25 119.26 118.77 1u2q h ALA 104 Ca -0.50 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1u2q h ALA 104 Cb 1.26 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1u2q h ALA 104 CO 0.58 -0.50 -0.28 0.00 0.00 0.00 0.00 179.25 179.05 1u2q h ALA 105 N 1.82 1.36 -0.01 0.00 0.00 -2.03 -2.78 119.26 117.62 1u2q h ALA 105 Ca 0.72 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1u2q h ALA 105 Cb 1.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1u2q h ALA 105 CO -0.58 0.35 -0.02 0.54 0.00 0.00 0.00 179.25 179.54 1u2q n ARG 106 N -3.94 1.44 -4.05 0.00 1.74 -0.47 -4.76 116.66 106.62 1u2q n ARG 106 Ca -0.02 -0.73 -0.35 0.00 -0.77 0.00 0.00 57.85 55.98 1u2q n ARG 106 Cb 0.35 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 1u2q n ARG 106 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1u2q s VAL 107 N -2.06 3.43 -0.02 1.55 1.01 -1.05 -0.95 120.40 122.31 1u2q s VAL 107 Ca 0.38 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1u2q s VAL 107 Cb 0.21 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1u2q s VAL 107 CO 0.36 0.44 0.08 -0.13 0.00 0.00 0.00 175.10 175.85 1u2q s ARG 108 N 1.24 0.17 0.11 2.72 0.52 -0.14 -4.94 118.95 118.62 1u2q s ARG 108 Ca 0.03 -0.02 -0.28 0.00 -0.52 0.00 0.00 55.73 54.93 1u2q s ARG 108 Cb -0.14 0.07 -0.06 0.00 0.52 0.00 0.00 34.95 35.34 1u2q s ARG 108 CO -0.01 -0.03 0.90 -1.64 0.02 0.00 0.00 175.30 174.54 1u2q s MET 109 N -0.28 4.65 0.18 3.54 -1.94 -1.26 -0.59 119.30 123.60 1u2q s MET 109 Ca -0.03 1.34 -0.25 0.00 -1.71 0.00 0.00 55.69 55.04 1u2q s MET 109 Cb -0.02 -3.36 0.07 0.00 2.01 0.00 0.00 34.83 33.53 1u2q s MET 109 CO 0.00 0.28 1.56 1.25 -0.01 0.00 0.00 175.02 178.10 1u2q h LEU 110 N 5.40 -1.61 -2.78 -0.03 5.85 -1.49 -0.07 115.31 120.59 1u2q h LEU 110 Ca -0.44 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1u2q h LEU 110 Cb 1.21 0.75 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1u2q h LEU 110 CO 0.71 -0.30 0.05 0.03 -0.34 0.00 0.00 178.44 178.58 1u2q h ARG 111 N -0.13 0.00 0.00 1.25 3.08 -1.85 0.72 114.38 117.45 1u2q h ARG 111 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1u2q h ARG 111 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1u2q h ARG 111 CO -0.81 0.00 -0.02 0.66 -1.07 0.00 0.00 179.97 178.73 1u2q h SER 112 N 0.00 0.00 0.22 7.04 4.64 -1.30 0.83 113.55 124.97 1u2q h SER 112 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u2q h SER 112 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1u2q h SER 112 CO 0.00 0.02 -0.13 0.49 -0.87 0.00 0.00 176.83 176.34 1u2q n PHE 113 N -3.18 0.00 -2.09 4.77 3.01 0.24 -4.82 117.46 115.40 1u2q n PHE 113 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 1u2q n PHE 113 Cb 0.18 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.51 1u2q n PHE 113 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1u2q s ASP 114 N -2.35 6.74 0.27 4.37 2.15 0.28 -2.30 116.67 125.84 1u2q s ASP 114 Ca 0.31 2.54 0.21 0.00 0.43 0.00 0.00 52.55 56.03 1u2q s ASP 114 Cb 0.20 -2.61 1.03 0.00 -0.30 0.00 0.00 42.92 41.24 1u2q s ASP 114 CO 0.45 -0.65 1.64 -0.81 -0.17 0.00 0.00 175.17 175.63 1u2q n PRO 115 N 2.81 0.15 0.00 4.34 -0.04 -1.26 -1.54 135.00 139.46 1u2q n PRO 115 Ca 0.08 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 1u2q n PRO 115 Cb 0.41 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 1u2q n PRO 115 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u2q n ARG 116 N -2.19 0.46 -1.45 0.54 1.74 -1.26 -5.01 116.66 109.49 1u2q n ARG 116 Ca 0.00 -0.37 -0.37 0.00 -0.77 0.00 0.00 57.85 56.34 1u2q n ARG 116 Cb 0.11 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.11 1u2q n ARG 116 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u2q n SER 117 N -0.95 -0.24 0.00 0.55 2.88 -0.59 -5.03 113.62 110.24 1u2q n SER 117 Ca 0.06 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1u2q n SER 117 Cb 0.38 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1u2q n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u2q n GLY 118 N 1.48 2.14 0.13 0.46 0.00 -1.26 -5.01 105.19 103.13 1u2q n GLY 118 Ca 0.12 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1u2q n GLY 118 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1u2q h THR 119 N 0.00 1.48 -3.01 2.61 2.02 -2.00 -3.40 112.91 110.61 1u2q h THR 119 Ca 0.00 -2.72 -0.68 0.00 0.77 0.00 0.00 66.41 63.78 1u2q h THR 119 Cb 0.00 2.58 -0.18 0.00 -1.74 0.00 0.00 68.15 68.81 1u2q h THR 119 CO 0.00 0.80 0.17 -2.28 0.37 0.00 0.00 175.52 174.58 1u2q s HIS 120 N -3.07 2.96 0.56 3.16 5.65 -1.26 -5.04 115.29 118.26 1u2q s HIS 120 Ca -0.04 -0.71 -0.20 0.00 0.25 0.00 0.00 55.06 54.36 1u2q s HIS 120 Cb 0.09 -3.88 -0.04 0.00 -1.18 0.00 0.00 32.58 27.57 1u2q s HIS 120 CO 0.85 -1.25 1.26 0.00 -0.65 0.00 0.00 174.74 174.95 1u2q s ALA 121 N 2.91 2.68 0.12 1.58 0.00 -1.26 -5.02 121.76 122.77 1u2q s ALA 121 Ca 0.15 1.13 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 1u2q s ALA 121 Cb -0.21 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 1u2q s ALA 121 CO 0.09 -1.21 0.36 -0.51 0.00 0.00 0.00 175.76 174.49 1u2q s LEU 122 N -3.76 4.29 0.58 0.00 1.43 -1.26 -5.01 118.68 114.94 1u2q s LEU 122 Ca 0.74 0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 54.27 1u2q s LEU 122 Cb -0.34 -3.22 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 1u2q s LEU 122 CO 0.39 0.08 1.03 -1.81 0.23 0.00 0.00 176.35 176.28 1u2q s ASP 123 N -2.32 6.06 -0.42 2.29 1.01 -1.26 -4.39 116.67 117.63 1u2q s ASP 123 Ca 0.39 1.69 -0.17 0.00 0.71 0.00 0.00 52.55 55.17 1u2q s ASP 123 Cb -0.12 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.31 1u2q s ASP 123 CO 0.24 -0.98 0.44 -0.69 0.21 0.00 0.00 175.17 174.39 1u2q s VAL 124 N -2.60 5.08 0.30 -1.27 1.01 -0.68 -5.00 120.40 117.24 1u2q s VAL 124 Ca 0.61 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1u2q s VAL 124 Cb -0.14 -4.04 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 1u2q s VAL 124 CO 0.37 -0.42 1.24 -0.62 0.00 0.00 0.00 175.10 175.67 1u2q n GLU 125 N 5.62 1.89 -2.45 2.72 -0.58 -1.26 -4.71 120.64 121.87 1u2q n GLU 125 Ca -0.07 0.66 -0.42 0.00 -0.42 0.00 0.00 57.16 56.91 1u2q n GLU 125 Cb 0.47 -2.21 -0.03 0.00 -0.57 0.00 0.00 31.44 29.11 1u2q n GLU 125 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1u2q s ASP 126 N -0.23 7.02 0.00 1.62 2.15 -1.26 -4.92 116.67 121.05 1u2q s ASP 126 Ca 0.59 1.78 0.19 0.00 0.43 0.00 0.00 52.55 55.54 1u2q s ASP 126 Cb -0.63 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 39.96 1u2q s ASP 126 CO 0.59 -0.64 1.43 -0.81 -0.17 0.00 0.00 175.17 175.57 1u2q n PRO 127 N 5.60 2.32 -0.13 4.34 -0.04 -1.26 -4.59 135.00 141.24 1u2q n PRO 127 Ca 0.12 -2.04 0.20 0.00 -0.04 0.00 0.00 63.50 61.73 1u2q n PRO 127 Cb 0.46 -1.45 0.60 0.00 -0.04 0.00 0.00 33.50 33.07 1u2q n PRO 127 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1u2q h TYR 128 N 3.44 0.26 -0.79 0.54 3.20 -1.98 -1.77 116.97 119.86 1u2q h TYR 128 Ca 0.00 0.01 -0.35 0.00 3.14 0.00 0.00 58.73 61.53 1u2q h TYR 128 Cb 0.78 -0.08 -0.21 0.00 1.54 0.00 0.00 36.73 38.76 1u2q h TYR 128 CO 0.35 0.09 0.40 0.66 -1.64 0.00 0.00 178.16 178.02 1u2q n TYR 129 N -4.41 2.51 -2.46 -3.82 4.02 -1.26 -4.95 117.16 106.78 1u2q n TYR 129 Ca 0.14 -1.57 0.00 0.00 -0.01 0.00 0.00 57.90 56.47 1u2q n TYR 129 Cb 0.66 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 1u2q n TYR 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u2q n GLY 130 N -0.80 6.19 0.00 2.72 0.00 -0.67 -5.18 105.19 107.45 1u2q n GLY 130 Ca 0.48 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1u2q n GLY 130 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u2q n ASP 131 N 0.00 1.51 -0.21 1.61 5.75 -1.26 -5.00 116.55 118.94 1u2q n ASP 131 Ca 0.00 -0.90 -0.02 0.00 -0.01 0.00 0.00 54.79 53.87 1u2q n ASP 131 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1u2q n ASP 131 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1u2q h HIS 132 N 0.90 -0.51 -0.83 2.11 2.07 -1.96 -1.17 115.15 115.75 1u2q h HIS 132 Ca 0.00 0.06 0.14 0.00 -2.85 0.00 0.00 60.37 57.72 1u2q h HIS 132 Cb 0.00 0.32 -0.06 0.00 2.57 0.00 0.00 27.41 30.24 1u2q h HIS 132 CO 0.00 -0.31 0.54 0.66 -3.07 0.00 0.00 177.93 175.75 1u2q h SER 133 N -0.06 0.57 -0.64 3.10 4.64 -1.98 0.07 113.55 119.25 1u2q h SER 133 Ca 0.29 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.59 1u2q h SER 133 Cb 0.50 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1u2q h SER 133 CO -0.67 0.30 0.23 0.44 -0.87 0.00 0.00 176.83 176.26 1u2q h ASP 134 N 0.61 0.93 0.34 4.97 3.32 -1.60 0.18 116.42 125.16 1u2q h ASP 134 Ca 0.41 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 1u2q h ASP 134 Cb 0.71 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1u2q h ASP 134 CO -0.16 0.85 -0.72 -0.26 -1.72 0.00 0.00 179.24 177.23 1u2q h PHE 135 N 0.98 0.45 -0.71 4.55 -1.00 -0.93 -0.59 116.94 119.68 1u2q h PHE 135 Ca 0.22 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1u2q h PHE 135 Cb 0.24 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 1u2q h PHE 135 CO 0.02 0.94 0.39 0.93 -1.61 0.00 0.00 178.31 178.97 1u2q h GLU 136 N 0.22 1.00 -0.17 1.51 4.39 -0.46 0.15 114.58 121.22 1u2q h GLU 136 Ca -0.03 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1u2q h GLU 136 Cb 1.29 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1u2q h GLU 136 CO 0.12 0.75 0.07 1.49 -1.16 0.00 0.00 179.01 180.28 1u2q h GLU 137 N 0.98 0.24 -0.97 2.33 4.81 -0.31 -1.04 114.58 120.62 1u2q h GLU 137 Ca 0.25 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1u2q h GLU 137 Cb 0.04 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 1u2q h GLU 137 CO -0.04 0.31 0.62 0.28 -0.73 0.00 0.00 179.01 179.45 1u2q h VAL 138 N 0.12 1.06 -0.41 0.32 2.07 -0.55 0.56 116.25 119.42 1u2q h VAL 138 Ca 0.06 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1u2q h VAL 138 Cb 0.15 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1u2q h VAL 138 CO -0.01 0.20 0.21 0.15 0.02 0.00 0.00 177.57 178.15 1u2q h PHE 139 N 1.11 0.39 -0.29 1.57 3.57 -0.26 0.60 116.94 123.63 1u2q h PHE 139 Ca 0.43 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.96 1u2q h PHE 139 Cb 0.20 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1u2q h PHE 139 CO -0.01 0.21 0.14 0.00 -2.23 0.00 0.00 178.31 176.42 1u2q h ALA 140 N 1.21 0.35 -0.25 2.41 0.00 0.23 0.18 119.26 123.40 1u2q h ALA 140 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1u2q h ALA 140 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1u2q h ALA 140 CO -0.12 -0.24 0.15 0.28 0.00 0.00 0.00 179.25 179.32 1u2q h VAL 141 N 0.30 1.08 0.05 0.00 2.07 -0.49 -0.96 116.25 118.31 1u2q h VAL 141 Ca 0.12 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1u2q h VAL 141 Cb 0.04 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1u2q h VAL 141 CO -0.08 0.08 -0.02 0.40 0.02 0.00 0.00 177.57 177.96 1u2q h ILE 142 N 0.32 1.00 -0.97 4.57 2.04 -0.57 -2.14 117.51 121.76 1u2q h ILE 142 Ca 0.09 -0.16 0.15 0.00 1.00 0.00 0.00 64.86 65.94 1u2q h ILE 142 Cb -0.00 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 1u2q h ILE 142 CO -0.02 0.04 0.61 -0.08 0.00 0.00 0.00 178.15 178.70 1u2q h GLU 143 N -0.14 0.79 0.00 2.37 4.81 -0.51 0.28 114.58 122.18 1u2q h GLU 143 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1u2q h GLU 143 Cb 0.12 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1u2q h GLU 143 CO 0.01 0.52 -0.12 1.03 -0.73 0.00 0.00 179.01 179.73 1u2q h SER 144 N 0.81 0.00 0.10 1.04 0.87 -0.62 -3.29 113.55 112.47 1u2q h SER 144 Ca 0.50 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.70 1u2q h SER 144 Cb 0.71 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 1u2q h SER 144 CO -0.27 0.12 -2.20 0.00 -0.53 0.00 0.00 176.83 173.94 1u2q n ALA 145 N -2.20 1.21 -0.32 6.23 0.00 0.86 -4.37 120.51 121.92 1u2q n ALA 145 Ca -0.01 -0.87 0.17 0.00 0.00 0.00 0.00 53.44 52.73 1u2q n ALA 145 Cb 0.30 -0.42 0.36 0.00 0.00 0.00 0.00 19.45 19.69 1u2q n ALA 145 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1u2q h LEU 146 N 0.03 0.30 -0.88 0.00 3.38 -1.28 -2.75 115.31 114.12 1u2q h LEU 146 Ca -0.49 0.18 0.23 0.00 0.09 0.00 0.00 57.88 57.90 1u2q h LEU 146 Cb 2.00 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 42.77 1u2q h LEU 146 CO 0.01 -0.09 0.12 1.55 0.09 0.00 0.00 178.44 180.13 1u2q h PRO 147 N 0.33 0.12 -0.18 1.13 0.13 -1.81 0.41 132.00 132.12 1u2q h PRO 147 Ca 0.62 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.70 1u2q h PRO 147 Cb 1.28 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1u2q h PRO 147 CO -0.59 0.08 -0.07 0.78 -0.23 0.00 0.00 178.00 177.96 1u2q h GLY 148 N 0.12 0.29 2.00 1.56 0.00 -1.14 -0.86 103.07 105.04 1u2q h GLY 148 Ca 0.54 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 1u2q h GLY 148 CO -0.74 0.15 -0.34 -2.00 0.00 0.00 0.00 176.54 173.62 1u2q h LEU 149 N 0.26 0.00 -0.69 3.11 5.85 -0.34 -1.98 115.31 121.53 1u2q h LEU 149 Ca 0.06 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 1u2q h LEU 149 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1u2q h LEU 149 CO 0.01 0.34 -0.46 0.45 -0.34 0.00 0.00 178.44 178.44 1u2q h HIS 150 N 0.00 0.55 -0.67 1.25 3.86 -0.41 -1.85 115.15 117.88 1u2q h HIS 150 Ca -0.00 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 58.98 1u2q h HIS 150 Cb 0.63 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 1u2q h HIS 150 CO 0.00 0.84 0.20 -0.44 0.86 0.00 0.00 177.93 179.39 1u2q h ASP 151 N 0.37 0.99 -0.46 2.45 3.32 -0.90 -1.02 116.42 121.16 1u2q h ASP 151 Ca 0.02 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1u2q h ASP 151 Cb 0.96 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1u2q h ASP 151 CO 0.08 0.94 0.23 -0.25 -1.72 0.00 0.00 179.24 178.52 1u2q h TRP 152 N 0.98 0.66 0.01 4.55 7.01 -1.18 -2.08 115.95 125.90 1u2q h TRP 152 Ca 0.22 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 1u2q h TRP 152 Cb 0.31 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1u2q h TRP 152 CO 0.02 0.52 -0.00 0.28 -2.79 0.00 0.00 178.44 176.47 1u2q h VAL 153 N 0.61 1.10 -0.63 2.65 2.07 -1.07 -2.33 116.25 118.65 1u2q h VAL 153 Ca 0.16 -0.32 0.13 0.00 0.82 0.00 0.00 66.70 67.49 1u2q h VAL 153 Cb 0.10 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 1u2q h VAL 153 CO -0.02 0.08 0.12 0.44 0.02 0.00 0.00 177.57 178.21 1u2q h ASP 154 N -0.15 -0.04 -0.36 0.57 5.19 -1.07 0.33 116.42 120.89 1u2q h ASP 154 Ca -0.00 0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1u2q h ASP 154 Cb 0.14 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1u2q h ASP 154 CO 0.00 -0.02 0.21 -0.33 -3.12 0.00 0.00 179.24 175.98 1u2q h GLU 155 N 0.24 0.42 0.16 3.56 5.08 -1.19 -2.64 114.58 120.21 1u2q h GLU 155 Ca 0.34 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1u2q h GLU 155 Cb 0.53 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1u2q h GLU 155 CO -0.45 0.28 -0.08 0.00 -1.00 0.00 0.00 179.01 177.76 1u2q h ARG 156 N 0.43 -0.21 0.00 2.33 2.47 -0.70 -2.19 114.38 116.52 1u2q h ARG 156 Ca 0.14 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1u2q h ARG 156 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1u2q h ARG 156 CO -0.07 -0.04 0.06 1.28 0.56 0.00 0.00 179.97 181.76 1u2q n LEU 157 N -5.13 0.00 -0.62 3.04 4.77 -0.00 -5.12 117.00 113.94 1u2q n LEU 157 Ca -0.09 0.42 0.08 0.00 -0.03 0.00 0.00 56.01 56.39 1u2q n LEU 157 Cb 0.15 -0.42 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1u2q n LEU 157 CO 0.34 -0.42 0.50 0.00 -1.33 0.00 0.00 177.39 176.48