#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqs n THR 2 N 0.69 1.96 -4.00 0.00 -2.24 -1.24 -3.49 114.28 105.96 2pqs n THR 2 Ca 0.30 -4.72 -0.33 0.00 -2.27 0.00 0.00 64.05 57.03 2pqs n THR 2 Cb 0.39 -0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 2pqs n THR 2 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pqs s GLU 3 N -3.29 3.21 0.04 -0.78 2.02 -0.20 -4.54 118.70 115.17 2pqs s GLU 3 Ca 0.43 -0.45 -0.35 0.00 0.02 0.00 0.00 54.97 54.63 2pqs s GLU 3 Cb 0.37 -2.95 -0.14 0.00 0.10 0.00 0.00 34.13 31.52 2pqs s GLU 3 CO -0.12 0.64 1.66 -2.30 0.02 0.00 0.00 175.26 175.17 2pqs n PRO 4 N 0.91 1.98 -0.04 0.39 -0.02 -1.26 -0.89 135.00 136.07 2pqs n PRO 4 Ca -0.11 0.72 0.10 0.00 -2.02 0.00 0.00 63.50 62.19 2pqs n PRO 4 Cb 0.52 -2.49 0.48 0.00 -0.02 0.00 0.00 33.50 31.99 2pqs n PRO 4 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pqs n LEU 5 N 4.49 0.84 0.00 2.45 4.77 0.83 -4.90 117.00 125.48 2pqs n LEU 5 Ca 0.20 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2pqs n LEU 5 Cb 0.27 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2pqs n LEU 5 CO 0.68 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2pqs n GLY 6 N 0.97 1.21 0.20 -0.72 0.00 -1.26 -4.75 105.19 100.84 2pqs n GLY 6 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2pqs n GLY 6 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pqs h LEU 7 N 0.00 -0.36 -0.74 0.99 -0.00 -1.90 -2.27 115.31 111.03 2pqs h LEU 7 Ca 0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2pqs h LEU 7 Cb 0.00 0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 40.72 2pqs h LEU 7 CO 0.00 0.11 0.45 0.50 -0.00 0.00 0.00 178.44 179.50 2pqs h LYS 8 N -1.03 1.00 -0.15 1.13 3.64 -1.81 -2.75 116.57 116.60 2pqs h LYS 8 Ca -0.04 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2pqs h LYS 8 Cb 0.46 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2pqs h LYS 8 CO 0.07 0.71 0.00 -0.40 -2.27 0.00 0.00 179.45 177.56 2pqs n ASP 9 N -4.51 1.12 0.00 4.20 5.68 -1.26 -4.92 116.55 116.85 2pqs n ASP 9 Ca 0.07 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 2pqs n ASP 9 Cb 0.05 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2pqs n ASP 9 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2pqs n ASN 10 N 0.01 -2.59 0.23 -1.12 3.02 -1.04 -4.84 115.26 108.93 2pqs n ASN 10 Ca 0.13 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.82 2pqs n ASN 10 Cb 0.22 -1.94 0.80 0.00 -0.61 0.00 0.00 39.78 38.25 2pqs n ASN 10 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2pqs h THR 11 N 0.00 0.64 -3.63 3.41 1.35 -1.78 -3.34 112.91 109.56 2pqs h THR 11 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.24 2pqs h THR 11 Cb 0.32 0.92 -0.12 0.00 -1.73 0.00 0.00 68.15 67.54 2pqs h THR 11 CO 0.00 0.00 0.39 -0.63 -0.25 0.00 0.00 175.52 175.03 2pqs s ILE 12 N -4.78 4.62 0.65 6.82 1.01 -0.88 -5.03 121.20 123.63 2pqs s ILE 12 Ca -0.05 0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 2pqs s ILE 12 Cb 0.16 -4.34 -0.00 0.00 0.01 0.00 0.00 42.46 38.29 2pqs s ILE 12 CO 0.59 -0.73 1.21 -2.16 0.00 0.00 0.00 174.94 173.85 2pqs s PRO 13 N 3.36 2.61 0.31 2.79 0.04 -1.25 -4.90 135.00 137.96 2pqs s PRO 13 Ca 0.31 1.78 0.06 0.00 0.04 0.00 0.00 61.00 63.19 2pqs s PRO 13 Cb -0.12 -1.89 0.72 0.00 0.04 0.00 0.00 34.50 33.25 2pqs s PRO 13 CO 0.23 -1.48 1.81 -0.91 0.04 0.00 0.00 177.00 176.69 2pqs h ASN 14 N 0.34 0.79 -0.33 6.66 2.35 -1.91 0.15 115.58 123.63 2pqs h ASN 14 Ca -0.49 0.07 0.09 0.00 -0.55 0.00 0.00 56.30 55.43 2pqs h ASN 14 Cb 1.30 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 2pqs h ASN 14 CO 0.53 0.34 0.37 0.11 -1.65 0.00 0.00 177.43 177.13 2pqs h LYS 15 N 0.80 0.00 -0.18 0.81 1.57 -2.00 0.33 116.57 117.91 2pqs h LYS 15 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2pqs h LYS 15 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2pqs h LYS 15 CO -0.31 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.61 2pqs n GLN 16 N -3.69 1.78 -4.18 3.15 6.02 0.04 -4.78 117.38 115.71 2pqs n GLN 16 Ca 0.05 -1.17 -0.33 0.00 -0.01 0.00 0.00 57.00 55.54 2pqs n GLN 16 Cb 0.53 -1.40 -0.16 0.00 1.02 0.00 0.00 30.24 30.23 2pqs n GLN 16 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pqs s ILE 17 N -1.77 2.14 0.33 5.09 1.01 0.11 0.09 121.20 128.19 2pqs s ILE 17 Ca 0.32 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 60.10 2pqs s ILE 17 Cb 0.18 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2pqs s ILE 17 CO 0.26 0.53 0.18 0.42 0.00 0.00 0.00 174.94 176.34 2pqs s THR 18 N 1.23 0.30 0.16 2.92 -4.23 0.23 -4.17 115.64 112.09 2pqs s THR 18 Ca 0.03 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.36 2pqs s THR 18 Cb -0.13 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.27 2pqs s THR 18 CO -0.11 0.00 0.50 0.00 -0.54 0.00 0.00 174.62 174.47 2pqs s ALA 19 N -3.51 -1.09 0.38 3.99 0.00 -1.26 0.71 121.76 120.98 2pqs s ALA 19 Ca 0.35 0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.41 2pqs s ALA 19 Cb 0.04 0.80 0.85 0.00 0.00 0.00 0.00 23.12 24.81 2pqs s ALA 19 CO 0.19 -0.74 1.94 0.66 0.00 0.00 0.00 175.76 177.81 2pqs h SER 20 N 2.21 0.58 -5.58 0.00 4.64 -1.56 -3.46 113.55 110.38 2pqs h SER 20 Ca -0.32 0.01 0.24 0.00 -0.47 0.00 0.00 61.79 61.26 2pqs h SER 20 Cb 1.27 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 2pqs h SER 20 CO 0.41 0.34 0.70 -0.94 -0.87 0.00 0.00 176.83 176.47 2pqs s SER 21 N -6.09 -0.03 0.05 4.97 1.04 -1.26 -5.01 113.70 107.37 2pqs s SER 21 Ca -0.09 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 55.78 2pqs s SER 21 Cb 0.20 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.69 2pqs s SER 21 CO 0.77 -0.67 0.32 -0.72 0.98 0.00 0.00 173.24 173.93 2pqs s TYR 22 N -2.34 -0.13 0.54 5.02 -0.85 -1.26 -4.27 117.35 114.06 2pqs s TYR 22 Ca 0.21 -0.01 -0.07 0.00 -0.52 0.00 0.00 57.07 56.68 2pqs s TYR 22 Cb -0.00 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.43 2pqs s TYR 22 CO 0.02 -0.53 0.88 -0.47 -1.52 0.00 0.00 175.55 173.92 2pqs s TYR 23 N -2.66 3.53 -0.15 -3.49 5.04 0.21 -3.60 117.35 116.23 2pqs s TYR 23 Ca -0.04 0.93 -0.04 0.00 -2.44 0.00 0.00 57.07 55.47 2pqs s TYR 23 Cb -0.00 -2.50 0.06 0.00 0.35 0.00 0.00 41.96 39.87 2pqs s TYR 23 CO -0.04 -0.50 0.13 0.15 -1.34 0.00 0.00 175.55 173.96 2pqs s LYS 24 N -4.92 0.07 0.15 4.97 1.02 -1.26 -0.97 119.74 118.81 2pqs s LYS 24 Ca 0.51 0.15 -0.31 0.00 0.02 0.00 0.00 55.97 56.34 2pqs s LYS 24 Cb -0.11 -1.26 -0.11 0.00 -0.52 0.00 0.00 37.83 35.84 2pqs s LYS 24 CO 0.48 -0.57 1.74 0.99 -0.92 0.00 0.00 175.35 177.07 2pqs s THR 25 N 2.22 2.44 -1.63 2.17 2.01 -0.66 -1.81 115.64 120.38 2pqs s THR 25 Ca 0.04 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.03 2pqs s THR 25 Cb -0.15 -3.09 0.12 0.00 0.01 0.00 0.00 72.50 69.39 2pqs s THR 25 CO -0.09 0.01 0.82 0.79 -0.69 0.00 0.00 174.62 175.46 2pqs n TRP 26 N 4.90 -1.91 0.00 4.92 8.01 -1.26 -3.81 117.44 128.29 2pqs n TRP 26 Ca 0.16 0.83 0.00 0.00 -1.31 0.00 0.00 57.50 57.18 2pqs n TRP 26 Cb 0.38 -3.34 0.00 0.00 -2.01 0.00 0.00 31.31 26.33 2pqs n TRP 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pqs n GLY 27 N -1.54 1.95 3.08 6.99 0.00 -0.75 -4.94 105.19 109.98 2pqs n GLY 27 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pqs n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pqs n LEU 28 N 0.00 -4.67 -0.33 0.99 4.77 -1.25 -4.54 117.00 111.97 2pqs n LEU 28 Ca 0.00 0.96 0.10 0.00 -0.03 0.00 0.00 56.01 57.04 2pqs n LEU 28 Cb 0.00 -1.54 0.27 0.00 -2.33 0.00 0.00 43.42 39.82 2pqs n LEU 28 CO 0.00 -2.82 1.16 -1.28 -1.33 0.00 0.00 177.39 173.12 2pqs h SER 29 N 5.08 0.69 -0.02 -1.43 0.87 -1.92 -0.43 113.55 116.39 2pqs h SER 29 Ca -0.00 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2pqs h SER 29 Cb 0.00 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2pqs h SER 29 CO 0.00 0.28 0.06 0.00 -0.53 0.00 0.00 176.83 176.63 2pqs h ALA 30 N 1.59 1.26 -0.94 6.23 0.00 -1.96 -2.28 119.26 123.17 2pqs h ALA 30 Ca 0.52 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.78 2pqs h ALA 30 Cb 0.74 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.19 2pqs h ALA 30 CO -0.36 -0.07 0.29 1.19 0.00 0.00 0.00 179.25 180.30 2pqs n PHE 31 N -3.35 3.07 -3.40 0.00 0.99 -0.17 -4.99 117.46 109.61 2pqs n PHE 31 Ca -0.02 -2.73 -0.38 0.00 -0.00 0.00 0.00 57.45 54.31 2pqs n PHE 31 Cb 0.13 -1.03 -0.06 0.00 -1.00 0.00 0.00 39.48 37.52 2pqs n PHE 31 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2pqs s SER 32 N -2.40 6.84 -1.29 4.37 1.04 -0.86 -1.65 113.70 119.75 2pqs s SER 32 Ca 0.59 0.99 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 2pqs s SER 32 Cb 0.47 -2.28 0.15 0.00 0.10 0.00 0.00 66.02 64.46 2pqs s SER 32 CO -0.03 0.23 1.84 0.79 0.98 0.00 0.00 173.24 177.05 2pqs n TRP 33 N 2.26 3.38 -1.57 5.02 7.02 -0.14 -4.99 117.44 128.43 2pqs n TRP 33 Ca -0.11 -2.90 -0.45 0.00 -1.02 0.00 0.00 57.50 53.02 2pqs n TRP 33 Cb 0.52 -2.07 -0.02 0.00 -2.42 0.00 0.00 31.31 27.32 2pqs n TRP 33 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2pqs n PHE 34 N 4.51 1.12 -0.00 -5.99 3.01 -1.26 -2.96 117.46 115.89 2pqs n PHE 34 Ca 0.41 0.72 0.19 0.00 1.01 0.00 0.00 57.45 59.78 2pqs n PHE 34 Cb 0.38 -2.23 0.66 0.00 -0.01 0.00 0.00 39.48 38.29 2pqs n PHE 34 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2pqs h PRO 35 N 1.89 0.05 0.00 -1.08 0.13 -1.90 0.59 132.00 131.69 2pqs h PRO 35 Ca -0.39 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2pqs h PRO 35 Cb 1.35 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2pqs h PRO 35 CO 0.60 0.03 0.00 2.48 -0.23 0.00 0.00 178.00 180.89 2pqs n TYR 36 N -4.40 0.00 1.06 1.56 0.18 -1.26 -2.06 117.16 112.24 2pqs n TYR 36 Ca 0.09 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.99 2pqs n TYR 36 Cb 0.56 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.60 2pqs n TYR 36 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2pqs n TYR 37 N -0.61 0.00 -0.74 -3.48 4.01 0.20 -4.59 117.16 111.95 2pqs n TYR 37 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 2pqs n TYR 37 Cb 0.02 -0.03 -0.09 0.00 -0.31 0.00 0.00 39.34 38.92 2pqs n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pqs n ALA 38 N -0.35 4.92 -2.94 -0.72 0.00 -0.88 -3.63 120.51 116.91 2pqs n ALA 38 Ca 0.09 -1.57 -0.34 0.00 0.00 0.00 0.00 53.44 51.62 2pqs n ALA 38 Cb 0.42 -2.51 -0.12 0.00 0.00 0.00 0.00 19.45 17.24 2pqs n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pqs s ARG 39 N 2.01 3.64 0.18 0.00 0.52 -1.26 -0.46 118.95 123.57 2pqs s ARG 39 Ca 0.47 -0.52 -0.32 0.00 -0.52 0.00 0.00 55.73 54.83 2pqs s ARG 39 Cb 0.19 -2.90 -0.16 0.00 0.52 0.00 0.00 34.95 32.61 2pqs s ARG 39 CO -0.01 0.26 1.09 -0.11 0.02 0.00 0.00 175.30 176.54 2pqs n LEU 40 N 3.48 1.24 -0.97 2.53 7.94 0.98 -1.41 117.00 130.79 2pqs n LEU 40 Ca -0.17 1.15 -0.13 0.00 -1.11 0.00 0.00 56.01 55.75 2pqs n LEU 40 Cb 0.52 -1.19 -0.05 0.00 0.53 0.00 0.00 43.42 43.24 2pqs n LEU 40 CO 0.33 -1.49 -0.12 0.47 -1.11 0.00 0.00 177.39 175.47 2pqs n ASP 41 N 1.89 -5.49 -4.73 1.96 8.00 -1.26 -4.61 116.55 112.31 2pqs n ASP 41 Ca 0.15 0.31 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 2pqs n ASP 41 Cb 0.24 -4.10 -0.02 0.00 -0.02 0.00 0.00 41.12 37.22 2pqs n ASP 41 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2pqs s ASN 42 N -2.52 6.41 0.32 -2.24 2.47 -0.50 -5.00 114.94 113.88 2pqs s ASN 42 Ca 0.00 2.87 0.07 0.00 0.42 0.00 0.00 52.86 56.22 2pqs s ASN 42 Cb 0.00 -2.61 -0.03 0.00 -1.45 0.00 0.00 41.25 37.16 2pqs s ASN 42 CO 0.00 -0.93 0.29 -1.10 -3.72 0.00 0.00 177.10 171.64 2pqs s GLN 43 N 0.47 2.80 0.00 0.43 -1.52 -1.26 -4.85 119.66 115.73 2pqs s GLN 43 Ca 0.69 -1.22 0.00 0.00 -1.95 0.00 0.00 55.36 52.88 2pqs s GLN 43 Cb -0.48 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 2pqs s GLN 43 CO 0.38 0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.99 2pqs n GLY 44 N -1.35 0.21 0.15 3.09 0.00 -1.26 -4.66 105.19 101.36 2pqs n GLY 44 Ca -0.03 -2.30 -0.23 0.00 0.00 0.00 0.00 46.02 43.46 2pqs n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqs h LYS 45 N 7.88 0.50 -2.32 1.61 1.57 -1.97 -3.34 116.57 120.50 2pqs h LYS 45 Ca 0.00 -0.80 -0.66 0.00 -1.87 0.00 0.00 60.65 57.33 2pqs h LYS 45 Cb 0.00 0.29 -0.38 0.00 0.08 0.00 0.00 32.23 32.22 2pqs h LYS 45 CO 0.00 1.37 -0.17 1.19 -0.57 0.00 0.00 179.45 181.28 2pqs n PHE 46 N -3.85 3.55 -0.10 -1.35 3.01 -1.26 -4.88 117.46 112.58 2pqs n PHE 46 Ca -0.15 -3.62 -0.09 0.00 1.01 0.00 0.00 57.45 54.59 2pqs n PHE 46 Cb 1.00 -0.71 0.11 0.00 -0.01 0.00 0.00 39.48 39.87 2pqs n PHE 46 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2pqs n ASN 47 N 0.18 3.39 -3.80 4.37 6.94 -1.26 -4.89 115.26 120.19 2pqs n ASN 47 Ca 0.33 -2.76 -0.06 0.00 -0.02 0.00 0.00 54.58 52.08 2pqs n ASN 47 Cb 0.36 -0.66 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 2pqs n ASN 47 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pqs s ALA 48 N -1.71 -1.37 -0.08 -2.53 0.00 -1.24 -4.64 121.76 110.19 2pqs s ALA 48 Ca 0.29 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 2pqs s ALA 48 Cb 0.24 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 2pqs s ALA 48 CO 0.06 -1.04 0.37 -0.46 0.00 0.00 0.00 175.76 174.69 2pqs s TRP 49 N -3.63 3.59 -0.04 0.00 -0.00 -0.76 -4.29 118.94 113.80 2pqs s TRP 49 Ca 0.12 0.82 0.02 0.00 -0.00 0.00 0.00 56.10 57.05 2pqs s TRP 49 Cb -0.04 -2.34 0.02 0.00 -0.00 0.00 0.00 33.47 31.10 2pqs s TRP 49 CO 0.05 0.42 -0.07 0.99 -0.00 0.00 0.00 176.95 178.34 2pqs s THR 50 N -0.22 0.71 0.57 5.86 2.01 -1.16 -0.69 115.64 122.72 2pqs s THR 50 Ca 0.21 -0.24 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 2pqs s THR 50 Cb -0.15 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 2pqs s THR 50 CO 0.09 0.25 1.16 0.00 -0.69 0.00 0.00 174.62 175.44 2pqs s ALA 51 N 0.72 2.62 0.18 7.40 0.00 -0.73 0.67 121.76 132.63 2pqs s ALA 51 Ca -0.11 0.90 0.14 0.00 0.00 0.00 0.00 51.96 52.89 2pqs s ALA 51 Cb -0.14 -3.40 0.43 0.00 0.00 0.00 0.00 23.12 20.01 2pqs s ALA 51 CO 0.01 -0.97 1.62 -0.56 0.00 0.00 0.00 175.76 175.87 2pqs h GLN 52 N 1.02 0.00 -6.04 0.00 3.07 -1.74 -3.32 115.11 108.11 2pqs h GLN 52 Ca -0.50 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 57.67 2pqs h GLN 52 Cb 1.28 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 28.59 2pqs h GLN 52 CO 0.56 0.54 -0.84 0.99 0.09 0.00 0.00 178.83 180.17 2pqs s THR 53 N -3.48 1.63 -1.24 1.86 2.01 -1.26 -4.83 115.64 110.33 2pqs s THR 53 Ca -0.00 -1.22 -0.08 0.00 0.31 0.00 0.00 61.69 60.70 2pqs s THR 53 Cb 0.11 -1.43 0.19 0.00 0.01 0.00 0.00 72.50 71.39 2pqs s THR 53 CO 0.73 0.16 1.87 0.59 -0.69 0.00 0.00 174.62 177.29 2pqs n ASN 54 N 1.77 5.81 -4.84 3.53 3.02 -1.26 -4.91 115.26 118.38 2pqs n ASN 54 Ca -0.17 -3.19 -0.24 0.00 -0.03 0.00 0.00 54.58 50.95 2pqs n ASN 54 Cb 0.53 -1.41 -0.04 0.00 -0.61 0.00 0.00 39.78 38.25 2pqs n ASN 54 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2pqs s SER 55 N 0.20 4.72 0.00 6.41 1.04 -1.26 -5.02 113.70 119.79 2pqs s SER 55 Ca 0.40 -1.00 0.29 0.00 0.48 0.00 0.00 55.95 56.12 2pqs s SER 55 Cb 0.10 -0.27 1.27 0.00 0.10 0.00 0.00 66.02 67.22 2pqs s SER 55 CO 0.01 -0.74 1.89 0.00 0.98 0.00 0.00 173.24 175.38 2pqs n ALA 56 N -1.50 2.73 -0.84 5.32 0.00 -1.26 -3.74 120.51 121.23 2pqs n ALA 56 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 53.44 53.26 2pqs n ALA 56 Cb 0.63 -1.35 0.32 0.00 0.00 0.00 0.00 19.45 19.05 2pqs n ALA 56 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2pqs n SER 57 N -0.92 4.56 -4.88 0.00 7.64 -1.26 -4.90 113.62 113.86 2pqs n SER 57 Ca 0.15 -2.82 -0.30 0.00 1.01 0.00 0.00 58.87 56.91 2pqs n SER 57 Cb 0.27 -0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 2pqs n SER 57 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2pqs s GLU 58 N -2.50 3.79 -0.01 1.43 0.41 -1.25 -4.95 118.70 115.63 2pqs s GLU 58 Ca 0.46 0.40 -0.23 0.00 -0.41 0.00 0.00 54.97 55.19 2pqs s GLU 58 Cb 0.35 -2.47 0.05 0.00 -1.78 0.00 0.00 34.13 30.27 2pqs s GLU 58 CO 0.14 0.08 0.51 1.67 -0.49 0.00 0.00 175.26 177.17 2pqs s TRP 59 N -2.19 -0.42 -0.17 1.61 1.48 -1.26 -4.09 118.94 113.89 2pqs s TRP 59 Ca 0.50 0.63 -0.02 0.00 -1.06 0.00 0.00 56.10 56.14 2pqs s TRP 59 Cb -0.10 0.29 -0.01 0.00 -1.16 0.00 0.00 33.47 32.48 2pqs s TRP 59 CO 0.28 -0.55 -0.09 -1.17 -4.06 0.00 0.00 176.95 171.36 2pqs s LEU 60 N -1.51 2.84 -0.16 -4.66 2.96 -0.74 -1.28 118.68 116.13 2pqs s LEU 60 Ca -0.10 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 2pqs s LEU 60 Cb -0.02 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2pqs s LEU 60 CO 0.04 0.09 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.48 2pqs s GLN 61 N 0.83 3.42 -0.21 1.98 0.74 0.22 -0.85 119.66 125.80 2pqs s GLN 61 Ca -0.03 -0.65 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 2pqs s GLN 61 Cb -0.15 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.20 2pqs s GLN 61 CO 0.01 0.11 -0.09 0.42 -0.55 0.00 0.00 175.29 175.19 2pqs s ILE 62 N 0.63 2.95 -0.52 -2.34 1.01 0.35 -0.60 121.20 122.69 2pqs s ILE 62 Ca -0.06 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 2pqs s ILE 62 Cb -0.15 -2.32 0.09 0.00 0.01 0.00 0.00 42.46 40.09 2pqs s ILE 62 CO 0.03 0.46 0.51 -0.62 0.00 0.00 0.00 174.94 175.31 2pqs s ASP 63 N 1.42 6.18 0.53 3.58 2.15 0.11 -1.32 116.67 129.31 2pqs s ASP 63 Ca 0.05 -1.43 0.35 0.00 0.43 0.00 0.00 52.55 51.96 2pqs s ASP 63 Cb -0.14 -2.23 1.86 0.00 -0.30 0.00 0.00 42.92 42.11 2pqs s ASP 63 CO -0.06 -0.82 2.08 -0.07 -0.17 0.00 0.00 175.17 176.12 2pqs h LEU 64 N 9.13 0.00 0.00 -1.34 3.38 -0.42 -3.46 115.31 122.61 2pqs h LEU 64 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2pqs h LEU 64 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2pqs h LEU 64 CO 0.98 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.12 2pqs n GLY 65 N -0.95 2.86 3.35 0.83 0.00 -1.26 -4.95 105.19 105.07 2pqs n GLY 65 Ca -0.02 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 2pqs n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pqs s SER 66 N 0.00 1.69 0.16 1.61 1.04 -1.26 -5.06 113.70 111.88 2pqs s SER 66 Ca 0.00 -1.32 -0.31 0.00 0.48 0.00 0.00 55.95 54.81 2pqs s SER 66 Cb 0.00 0.05 -0.08 0.00 0.10 0.00 0.00 66.02 66.09 2pqs s SER 66 CO 0.00 -0.62 1.33 -1.10 0.98 0.00 0.00 173.24 173.83 2pqs s GLN 67 N -3.94 4.37 0.23 4.02 -0.21 -1.26 -4.38 119.66 118.49 2pqs s GLN 67 Ca 0.34 2.04 0.01 0.00 0.02 0.00 0.00 55.36 57.77 2pqs s GLN 67 Cb 0.07 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.81 2pqs s GLN 67 CO 0.12 -0.32 0.07 0.15 -2.12 0.00 0.00 175.29 173.19 2pqs s LYS 68 N 0.40 1.30 -0.22 2.91 -0.14 -0.79 -4.93 119.74 118.27 2pqs s LYS 68 Ca 0.60 -1.68 -0.15 0.00 -1.36 0.00 0.00 55.97 53.38 2pqs s LYS 68 Cb -0.36 -0.24 -0.04 0.00 -1.68 0.00 0.00 37.83 35.51 2pqs s LYS 68 CO 0.35 -0.24 0.35 1.03 -0.76 0.00 0.00 175.35 176.07 2pqs s ARG 69 N -4.00 4.13 -0.25 1.68 0.52 -0.45 -1.69 118.95 118.90 2pqs s ARG 69 Ca 0.33 0.10 -0.04 0.00 -0.52 0.00 0.00 55.73 55.60 2pqs s ARG 69 Cb 0.07 -3.55 0.01 0.00 0.52 0.00 0.00 34.95 31.99 2pqs s ARG 69 CO 0.10 -0.05 -0.01 0.08 0.02 0.00 0.00 175.30 175.44 2pqs s VAL 70 N 1.37 3.45 -0.27 3.52 1.01 0.10 -1.92 120.40 127.67 2pqs s VAL 70 Ca 0.16 -0.69 0.12 0.00 0.00 0.00 0.00 61.98 61.58 2pqs s VAL 70 Cb -0.15 -2.69 -0.16 0.00 0.00 0.00 0.00 36.38 33.38 2pqs s VAL 70 CO 0.08 0.25 0.38 0.35 0.00 0.00 0.00 175.10 176.16 2pqs n THR 71 N 4.79 0.00 -3.85 3.92 -2.24 0.39 -2.30 114.28 114.99 2pqs n THR 71 Ca -0.16 -0.25 -0.06 0.00 -2.27 0.00 0.00 64.05 61.31 2pqs n THR 71 Cb 0.49 0.57 0.02 0.00 -2.10 0.00 0.00 70.33 69.31 2pqs n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pqs s GLY 72 N -2.83 0.20 -0.05 3.38 0.00 -1.16 -1.24 107.32 105.62 2pqs s GLY 72 Ca -0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 44.72 44.05 2pqs s GLY 72 CO 0.50 1.15 0.39 -1.50 0.00 0.00 0.00 173.10 173.63 2pqs s ILE 73 N -2.30 0.04 -0.03 0.90 2.07 0.08 -1.53 121.20 120.43 2pqs s ILE 73 Ca 0.19 -0.29 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2pqs s ILE 73 Cb -0.04 -0.66 0.02 0.00 0.13 0.00 0.00 42.46 41.91 2pqs s ILE 73 CO 0.08 -0.16 -0.03 -0.51 -1.91 0.00 0.00 174.94 172.41 2pqs s ILE 74 N -0.94 0.33 0.19 2.00 1.10 -0.39 -0.52 121.20 122.99 2pqs s ILE 74 Ca -0.10 -0.06 0.05 0.00 -0.51 0.00 0.00 60.65 60.03 2pqs s ILE 74 Cb -0.04 -0.36 -0.05 0.00 0.15 0.00 0.00 42.46 42.16 2pqs s ILE 74 CO 0.04 0.15 -0.08 0.42 -2.11 0.00 0.00 174.94 173.37 2pqs s THR 75 N 0.65 1.30 0.14 4.00 -4.23 -0.40 -1.53 115.64 115.57 2pqs s THR 75 Ca -0.07 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 58.32 2pqs s THR 75 Cb -0.11 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 2pqs s THR 75 CO -0.01 -0.56 0.11 -1.10 -0.54 0.00 0.00 174.62 172.52 2pqs s GLN 76 N -3.75 0.99 0.00 3.99 -0.21 -0.23 -1.59 119.66 118.86 2pqs s GLN 76 Ca 0.22 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 54.20 2pqs s GLN 76 Cb 0.03 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.31 2pqs s GLN 76 CO 0.05 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.33 2pqs n GLY 77 N -0.13 2.07 3.64 3.09 0.00 -0.89 -2.45 105.19 110.53 2pqs n GLY 77 Ca -0.05 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 2pqs n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqs s ALA 78 N -2.95 -2.13 0.11 4.61 0.00 -0.33 -4.48 121.76 116.60 2pqs s ALA 78 Ca 0.00 1.90 -0.18 0.00 0.00 0.00 0.00 51.96 53.68 2pqs s ALA 78 Cb 0.00 -1.38 -0.07 0.00 0.00 0.00 0.00 23.12 21.67 2pqs s ALA 78 CO 0.00 -0.28 0.59 0.50 0.00 0.00 0.00 175.76 176.56 2pqs s ARG 79 N -1.16 4.15 -0.35 0.00 3.52 -1.26 -1.94 118.95 121.90 2pqs s ARG 79 Ca 0.09 0.69 0.01 0.00 -0.13 0.00 0.00 55.73 56.39 2pqs s ARG 79 Cb -0.01 -3.10 0.11 0.00 -1.56 0.00 0.00 34.95 30.39 2pqs s ARG 79 CO -0.07 0.56 0.13 0.34 -0.81 0.00 0.00 175.30 175.45 2pqs s ASP 80 N -1.36 4.01 1.95 -2.12 2.15 0.29 -4.96 116.67 116.63 2pqs s ASP 80 Ca 0.33 -2.00 0.00 0.00 0.43 0.00 0.00 52.55 51.31 2pqs s ASP 80 Cb -0.18 -1.01 0.00 0.00 -0.30 0.00 0.00 42.92 41.43 2pqs s ASP 80 CO 0.19 -0.37 0.00 2.22 -0.17 0.00 0.00 175.17 177.05 2pqs n PHE 81 N 4.38 0.00 0.02 -5.34 -1.74 -1.26 -0.68 117.46 112.84 2pqs n PHE 81 Ca 0.02 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.89 2pqs n PHE 81 Cb 0.40 0.00 0.16 0.00 1.52 0.00 0.00 39.48 41.56 2pqs n PHE 81 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2pqs n GLY 82 N 0.00 2.55 3.12 4.97 0.00 -1.26 -4.89 105.19 109.69 2pqs n GLY 82 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 2pqs n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pqs s HIS 83 N -1.78 1.13 -0.07 1.61 4.02 0.15 -5.13 115.29 115.22 2pqs s HIS 83 Ca 0.27 -0.33 -0.13 0.00 1.02 0.00 0.00 55.06 55.89 2pqs s HIS 83 Cb 0.21 -0.68 -0.05 0.00 -1.02 0.00 0.00 32.58 31.04 2pqs s HIS 83 CO 0.07 0.02 0.32 -1.50 1.02 0.00 0.00 174.74 174.67 2pqs s ILE 84 N -0.79 5.22 -0.01 0.60 2.07 -1.26 0.10 121.20 127.13 2pqs s ILE 84 Ca 0.01 0.62 -0.01 0.00 -1.41 0.00 0.00 60.65 59.87 2pqs s ILE 84 Cb -0.07 -3.62 0.00 0.00 0.13 0.00 0.00 42.46 38.90 2pqs s ILE 84 CO 0.01 0.54 0.02 -1.10 -1.91 0.00 0.00 174.94 172.50 2pqs s GLN 85 N -0.66 0.02 -0.06 3.50 -0.21 -0.82 -4.63 119.66 116.80 2pqs s GLN 85 Ca 0.20 0.03 -0.31 0.00 0.02 0.00 0.00 55.36 55.30 2pqs s GLN 85 Cb -0.15 0.01 0.12 0.00 1.00 0.00 0.00 33.01 33.98 2pqs s GLN 85 CO 0.09 -0.01 1.08 1.52 -2.12 0.00 0.00 175.29 175.86 2pqs s TYR 86 N 0.03 -0.19 -0.27 0.91 -0.85 -1.12 -1.18 117.35 114.68 2pqs s TYR 86 Ca -0.00 0.07 -0.13 0.00 -0.52 0.00 0.00 57.07 56.50 2pqs s TYR 86 Cb -0.00 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 2pqs s TYR 86 CO -0.00 -0.40 0.27 0.08 -1.52 0.00 0.00 175.55 173.98 2pqs s VAL 87 N -2.75 5.26 -0.18 -3.49 1.01 -1.22 -0.70 120.40 118.32 2pqs s VAL 87 Ca 0.09 0.36 0.20 0.00 0.00 0.00 0.00 61.98 62.63 2pqs s VAL 87 Cb -0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 2pqs s VAL 87 CO -0.05 0.22 0.95 0.00 0.00 0.00 0.00 175.10 176.22 2pqs h ALA 88 N 8.13 0.58 -2.87 5.51 0.00 -1.23 -1.52 119.26 127.86 2pqs h ALA 88 Ca -0.34 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.01 2pqs h ALA 88 Cb 1.17 0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.87 2pqs h ALA 88 CO 0.61 0.45 -0.42 0.00 0.00 0.00 0.00 179.25 179.88 2pqs s ALA 89 N -3.15 -0.53 0.15 0.00 0.00 -0.83 0.61 121.76 118.01 2pqs s ALA 89 Ca -0.02 0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.99 2pqs s ALA 89 Cb 0.09 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.18 2pqs s ALA 89 CO 0.80 -0.18 0.78 1.52 0.00 0.00 0.00 175.76 178.67 2pqs s TYR 90 N -0.76 -0.32 0.35 0.00 1.13 -1.08 0.24 117.35 116.91 2pqs s TYR 90 Ca -0.08 0.05 0.08 0.00 -1.41 0.00 0.00 57.07 55.71 2pqs s TYR 90 Cb -0.05 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.37 2pqs s TYR 90 CO 0.02 -0.86 0.10 1.03 -2.51 0.00 0.00 175.55 173.32 2pqs s ARG 91 N -3.54 2.26 -0.06 -3.49 0.52 0.10 -0.13 118.95 114.60 2pqs s ARG 91 Ca 0.07 -1.64 0.02 0.00 -0.52 0.00 0.00 55.73 53.66 2pqs s ARG 91 Cb -0.02 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.39 2pqs s ARG 91 CO -0.04 0.10 -0.13 0.08 0.02 0.00 0.00 175.30 175.33 2pqs s VAL 92 N -2.47 1.15 0.07 3.52 1.01 -1.26 -0.76 120.40 121.65 2pqs s VAL 92 Ca 0.37 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.94 2pqs s VAL 92 Cb -0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2pqs s VAL 92 CO 0.22 0.36 -0.24 0.00 0.00 0.00 0.00 175.10 175.43 2pqs s ALA 93 N 0.61 2.05 0.08 5.51 0.00 -0.30 -0.59 121.76 129.12 2pqs s ALA 93 Ca -0.14 -1.23 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 2pqs s ALA 93 Cb -0.15 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2pqs s ALA 93 CO 0.04 0.47 0.17 1.52 0.00 0.00 0.00 175.76 177.95 2pqs s TYR 94 N -0.89 0.18 0.04 0.00 -0.85 -0.64 0.50 117.35 115.70 2pqs s TYR 94 Ca 0.10 -0.62 -0.06 0.00 -0.52 0.00 0.00 57.07 55.98 2pqs s TYR 94 Cb -0.10 -0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.17 2pqs s TYR 94 CO 0.03 -0.52 0.27 0.41 -1.52 0.00 0.00 175.55 174.22 2pqs n GLY 95 N -0.01 1.07 0.05 5.49 0.00 -0.68 -1.03 105.19 110.08 2pqs n GLY 95 Ca -0.15 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 2pqs n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pqs n ASP 96 N -0.72 2.75 -0.05 1.61 8.00 -1.26 -1.03 116.55 125.85 2pqs n ASP 96 Ca -0.00 -0.01 0.02 0.00 0.71 0.00 0.00 54.79 55.51 2pqs n ASP 96 Cb 0.15 0.63 -0.16 0.00 -0.02 0.00 0.00 41.12 41.71 2pqs n ASP 96 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pqs n ASP 97 N -2.40 0.10 0.00 -2.24 3.85 -1.26 -4.68 116.55 109.92 2pqs n ASP 97 Ca -0.16 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.92 2pqs n ASP 97 Cb 0.79 1.57 0.00 0.00 -1.35 0.00 0.00 41.12 42.14 2pqs n ASP 97 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pqs n GLY 98 N 1.49 0.80 0.97 6.12 0.00 -1.26 -4.90 105.19 108.41 2pqs n GLY 98 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2pqs n GLY 98 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pqs n VAL 99 N -2.36 0.00 -3.66 1.61 0.31 -1.26 -5.04 118.33 107.94 2pqs n VAL 99 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 2pqs n VAL 99 Cb 0.00 -0.90 -0.07 0.00 -0.91 0.00 0.00 33.84 31.96 2pqs n VAL 99 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2pqs s THR 100 N -1.90 5.36 0.23 2.52 -1.32 -1.26 -5.09 115.64 114.18 2pqs s THR 100 Ca 0.00 0.37 0.10 0.00 -1.21 0.00 0.00 61.69 60.96 2pqs s THR 100 Cb 0.00 -3.54 -0.05 0.00 -1.51 0.00 0.00 72.50 67.40 2pqs s THR 100 CO 0.00 0.45 -0.18 0.26 -2.21 0.00 0.00 174.62 172.94 2pqs s TRP 101 N 0.15 2.03 -0.13 9.09 0.52 -1.26 -4.52 118.94 124.82 2pqs s TRP 101 Ca 0.13 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.83 2pqs s TRP 101 Cb -0.12 -0.93 0.02 0.00 -1.15 0.00 0.00 33.47 31.29 2pqs s TRP 101 CO 0.02 0.52 -0.14 0.99 0.02 0.00 0.00 176.95 178.36 2pqs s THR 102 N -2.50 1.52 0.06 2.01 2.01 -0.19 -4.93 115.64 113.62 2pqs s THR 102 Ca 0.24 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2pqs s THR 102 Cb -0.04 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 2pqs s THR 102 CO 0.11 0.45 1.08 -1.61 -0.69 0.00 0.00 174.62 173.95 2pqs s GLU 103 N 1.31 4.53 0.25 4.92 0.41 -1.26 -1.61 118.70 127.24 2pqs s GLU 103 Ca 0.01 1.60 -0.30 0.00 -0.41 0.00 0.00 54.97 55.87 2pqs s GLU 103 Cb -0.14 -3.38 -0.09 0.00 -1.78 0.00 0.00 34.13 28.74 2pqs s GLU 103 CO -0.07 -0.09 1.17 -0.47 -0.49 0.00 0.00 175.26 175.30 2pqs s TYR 104 N 0.78 3.44 -0.08 1.61 5.04 0.24 -4.92 117.35 123.46 2pqs s TYR 104 Ca 0.54 1.55 -0.10 0.00 -2.44 0.00 0.00 57.07 56.62 2pqs s TYR 104 Cb -0.26 -3.40 0.02 0.00 0.35 0.00 0.00 41.96 38.68 2pqs s TYR 104 CO 0.29 -0.99 0.27 -1.59 -1.34 0.00 0.00 175.55 172.19 2pqs s LYS 105 N -1.06 0.38 1.15 4.97 -2.85 -1.26 -0.80 119.74 120.27 2pqs s LYS 105 Ca 0.48 0.24 -0.13 0.00 -1.00 0.00 0.00 55.97 55.57 2pqs s LYS 105 Cb -0.33 0.18 0.28 0.00 -2.06 0.00 0.00 37.83 35.89 2pqs s LYS 105 CO 0.41 -0.06 1.04 -0.51 0.10 0.00 0.00 175.35 176.32 2pqs s ASP 106 N -0.18 1.09 -0.35 0.03 1.11 -1.26 -4.81 116.67 112.30 2pqs s ASP 106 Ca -0.03 1.54 -0.40 0.00 0.18 0.00 0.00 52.55 53.84 2pqs s ASP 106 Cb -0.03 -2.30 -0.15 0.00 1.07 0.00 0.00 42.92 41.51 2pqs s ASP 106 CO 0.01 -4.13 1.96 -2.65 1.18 0.00 0.00 175.17 171.53 2pqs n PRO 107 N -4.87 0.87 -3.29 8.23 -0.02 -1.26 -3.04 135.00 131.61 2pqs n PRO 107 Ca 0.03 0.28 -0.27 0.00 -2.02 0.00 0.00 63.50 61.53 2pqs n PRO 107 Cb 0.54 -2.09 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2pqs n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pqs n GLY 108 N 5.56 -0.43 3.10 -1.23 0.00 -1.26 -5.02 105.19 105.91 2pqs n GLY 108 Ca 0.37 1.16 -0.15 0.00 0.00 0.00 0.00 46.02 47.40 2pqs n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqs s ALA 109 N -1.96 0.79 -0.01 4.61 0.00 -1.17 -5.08 121.76 118.94 2pqs s ALA 109 Ca 0.31 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 2pqs s ALA 109 Cb -0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 23.12 22.89 2pqs s ALA 109 CO 0.84 0.05 1.17 0.66 0.00 0.00 0.00 175.76 178.48 2pqs h SER 110 N 4.45 -0.26 -2.00 0.00 4.64 -1.95 -3.47 113.55 114.96 2pqs h SER 110 Ca -0.37 -0.25 -0.54 0.00 -0.47 0.00 0.00 61.79 60.15 2pqs h SER 110 Cb 1.20 0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 63.28 2pqs h SER 110 CO 0.41 0.16 -0.57 -1.61 -0.87 0.00 0.00 176.83 174.34 2pqs s GLU 111 N -4.37 2.39 0.73 4.77 0.41 -1.26 -5.11 118.70 116.26 2pqs s GLU 111 Ca -0.14 -1.47 -0.15 0.00 -0.41 0.00 0.00 54.97 52.80 2pqs s GLU 111 Cb 0.02 -2.20 0.04 0.00 -1.78 0.00 0.00 34.13 30.20 2pqs s GLU 111 CO 0.55 0.21 1.24 -1.54 -0.49 0.00 0.00 175.26 175.23 2pqs s SER 112 N -3.79 4.11 0.28 -0.19 1.04 -1.26 -4.72 113.70 109.16 2pqs s SER 112 Ca 0.35 2.46 -0.27 0.00 0.48 0.00 0.00 55.95 58.98 2pqs s SER 112 Cb -0.04 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 2pqs s SER 112 CO 0.22 -2.33 0.91 -0.75 0.98 0.00 0.00 173.24 172.27 2pqs s LYS 113 N -3.80 4.64 -0.40 4.02 2.20 0.02 -4.94 119.74 121.48 2pqs s LYS 113 Ca 0.77 1.33 -0.08 0.00 -0.36 0.00 0.00 55.97 57.62 2pqs s LYS 113 Cb -0.32 -2.99 0.07 0.00 -1.51 0.00 0.00 37.83 33.08 2pqs s LYS 113 CO 0.45 0.39 0.23 0.42 -0.36 0.00 0.00 175.35 176.48 2pqs s ILE 114 N -1.43 4.12 0.36 5.43 1.01 -1.26 -4.45 121.20 124.97 2pqs s ILE 114 Ca 0.46 -1.35 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 2pqs s ILE 114 Cb -0.21 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 2pqs s ILE 114 CO 0.26 -0.44 1.05 -0.36 0.00 0.00 0.00 174.94 175.45 2pqs s PHE 115 N 1.41 3.38 -0.03 3.97 0.40 0.81 -4.85 117.98 123.08 2pqs s PHE 115 Ca 0.02 1.67 -0.30 0.00 -0.60 0.00 0.00 56.93 57.73 2pqs s PHE 115 Cb -0.22 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 2pqs s PHE 115 CO 0.02 -0.53 1.18 -1.25 0.70 0.00 0.00 175.22 175.35 2pqs s PRO 116 N -2.21 4.38 0.00 0.24 0.04 -1.26 -2.62 135.00 133.57 2pqs s PRO 116 Ca 0.54 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2pqs s PRO 116 Cb -0.24 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2pqs s PRO 116 CO 0.30 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2pqs n GLY 117 N 3.30 2.14 3.92 0.56 0.00 0.20 -4.94 105.19 110.37 2pqs n GLY 117 Ca 0.10 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 2pqs n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pqs s ASN 118 N -0.86 4.53 0.00 1.61 0.01 -0.57 -4.90 114.94 114.76 2pqs s ASN 118 Ca 0.00 0.56 0.00 0.00 -0.71 0.00 0.00 52.86 52.71 2pqs s ASN 118 Cb 0.00 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.57 2pqs s ASN 118 CO 0.00 -1.83 0.58 1.15 -1.51 0.00 0.00 177.10 175.49 2pqs n MET 119 N -3.16 0.00 -1.18 -0.60 0.00 -1.26 -4.28 117.12 106.65 2pqs n MET 119 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 57.70 57.21 2pqs n MET 119 Cb 0.61 -0.49 0.00 0.00 0.00 0.00 0.00 33.22 33.34 2pqs n MET 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2pqs n ASP 120 N 0.00 0.00 0.03 3.17 5.68 -1.26 -5.09 116.55 119.08 2pqs n ASP 120 Ca 0.00 -0.91 -0.18 0.00 -0.50 0.00 0.00 54.79 53.19 2pqs n ASP 120 Cb 0.54 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.37 2pqs n ASP 120 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2pqs h ASN 121 N 0.00 0.38 0.00 -1.12 -1.07 -1.89 -3.34 115.58 108.54 2pqs h ASN 121 Ca 0.00 -0.68 -0.09 0.00 0.07 0.00 0.00 56.30 55.60 2pqs h ASN 121 Cb 0.00 -0.12 -0.02 0.00 -2.07 0.00 0.00 38.32 36.11 2pqs h ASN 121 CO 0.00 1.59 -1.40 0.59 0.07 0.00 0.00 177.43 178.28 2pqs n ASN 122 N -3.42 3.45 -4.76 6.14 5.03 -1.26 -2.09 115.26 118.34 2pqs n ASN 122 Ca -0.24 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 54.83 2pqs n ASN 122 Cb 1.05 0.80 0.02 0.00 -1.02 0.00 0.00 39.78 40.63 2pqs n ASN 122 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2pqs s SER 123 N -3.55 5.81 0.31 6.41 1.04 -1.26 -4.87 113.70 117.58 2pqs s SER 123 Ca -0.03 2.66 -0.24 0.00 0.48 0.00 0.00 55.95 58.82 2pqs s SER 123 Cb 0.02 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.42 2pqs s SER 123 CO 0.26 -1.19 0.88 -1.00 0.98 0.00 0.00 173.24 173.17 2pqs s HIS 124 N -1.33 3.63 -0.20 5.02 3.76 -1.26 -4.63 115.29 120.28 2pqs s HIS 124 Ca 0.65 1.65 -0.00 0.00 -0.15 0.00 0.00 55.06 57.20 2pqs s HIS 124 Cb -0.38 -2.82 0.05 0.00 1.11 0.00 0.00 32.58 30.54 2pqs s HIS 124 CO 0.46 0.21 -0.04 0.21 -0.85 0.00 0.00 174.74 174.73 2pqs s LYS 125 N -2.18 1.43 -0.08 1.40 2.47 -0.62 -4.98 119.74 117.17 2pqs s LYS 125 Ca 0.50 -0.69 0.00 0.00 -1.56 0.00 0.00 55.97 54.21 2pqs s LYS 125 Cb -0.17 -2.26 -0.03 0.00 -1.46 0.00 0.00 37.83 33.92 2pqs s LYS 125 CO 0.22 -0.52 -0.07 0.21 0.16 0.00 0.00 175.35 175.35 2pqs s LYS 126 N 1.57 2.92 -0.02 4.03 2.20 -1.26 -1.28 119.74 127.89 2pqs s LYS 126 Ca -0.02 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 2pqs s LYS 126 Cb -0.17 -2.64 -0.00 0.00 -1.51 0.00 0.00 37.83 33.51 2pqs s LYS 126 CO -0.07 0.57 -0.12 -0.80 -0.36 0.00 0.00 175.35 174.58 2pqs s ASN 127 N -0.56 1.46 -0.22 1.43 0.01 0.32 -5.00 114.94 112.38 2pqs s ASN 127 Ca 0.08 -0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 52.00 2pqs s ASN 127 Cb -0.12 -0.33 0.02 0.00 0.41 0.00 0.00 41.25 41.24 2pqs s ASN 127 CO 0.02 0.11 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.98 2pqs s ILE 128 N 0.02 2.66 0.12 0.60 1.01 -1.26 -0.74 121.20 123.60 2pqs s ILE 128 Ca -0.01 -0.93 -0.34 0.00 0.00 0.00 0.00 60.65 59.37 2pqs s ILE 128 Cb -0.08 -2.26 -0.14 0.00 0.01 0.00 0.00 42.46 39.99 2pqs s ILE 128 CO 0.00 0.34 1.62 0.49 0.00 0.00 0.00 174.94 177.40 2pqs n PHE 129 N 4.66 2.27 -0.01 3.97 0.99 -0.37 -4.85 117.46 124.11 2pqs n PHE 129 Ca -0.18 0.23 0.05 0.00 -0.00 0.00 0.00 57.45 57.55 2pqs n PHE 129 Cb 0.48 -2.56 0.43 0.00 -1.00 0.00 0.00 39.48 36.84 2pqs n PHE 129 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2pqs h GLU 130 N 6.45 0.53 -3.49 -1.08 5.08 -1.98 -3.34 114.58 116.75 2pqs h GLU 130 Ca -0.46 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.29 2pqs h GLU 130 Cb 1.26 -0.12 -0.40 0.00 0.50 0.00 0.00 28.75 29.99 2pqs h GLU 130 CO 0.90 0.35 -0.76 -0.08 -1.00 0.00 0.00 179.01 178.42 2pqs s THR 131 N -5.49 0.89 0.90 1.13 -1.32 -1.26 -5.01 115.64 105.47 2pqs s THR 131 Ca -0.08 -1.48 -0.10 0.00 -1.21 0.00 0.00 61.69 58.82 2pqs s THR 131 Cb 0.18 -1.67 0.14 0.00 -1.51 0.00 0.00 72.50 69.63 2pqs s THR 131 CO 0.73 -0.70 1.13 -2.16 -2.21 0.00 0.00 174.62 171.42 2pqs s PRO 132 N 1.53 1.16 0.25 7.08 0.04 -1.26 -5.05 135.00 138.75 2pqs s PRO 132 Ca 0.10 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.59 2pqs s PRO 132 Cb -0.18 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2pqs s PRO 132 CO -0.23 -2.49 0.15 -0.59 0.04 0.00 0.00 177.00 173.88 2pqs s PHE 133 N -2.70 1.39 -0.07 0.56 -0.12 -0.97 -4.99 117.98 111.08 2pqs s PHE 133 Ca 0.66 -1.40 0.06 0.00 -0.05 0.00 0.00 56.93 56.20 2pqs s PHE 133 Cb -0.22 -0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 41.48 2pqs s PHE 133 CO 0.58 -0.61 -0.25 -0.65 -0.05 0.00 0.00 175.22 174.24 2pqs s GLN 134 N -3.97 2.66 0.04 1.99 -0.21 -1.26 0.03 119.66 118.94 2pqs s GLN 134 Ca 0.38 -0.90 -0.28 0.00 0.02 0.00 0.00 55.36 54.59 2pqs s GLN 134 Cb 0.06 -2.20 0.09 0.00 1.00 0.00 0.00 33.01 31.96 2pqs s GLN 134 CO 0.16 0.34 0.87 0.00 -2.12 0.00 0.00 175.29 174.54 2pqs s ALA 135 N -0.06 -1.77 -0.22 6.09 0.00 -0.68 -4.85 121.76 120.26 2pqs s ALA 135 Ca -0.07 0.83 0.10 0.00 0.00 0.00 0.00 51.96 52.82 2pqs s ALA 135 Cb -0.15 0.50 -0.21 0.00 0.00 0.00 0.00 23.12 23.26 2pqs s ALA 135 CO 0.05 -0.75 -0.06 -2.13 0.00 0.00 0.00 175.76 172.87 2pqs n ARG 136 N -0.29 0.67 -4.83 0.00 0.63 -0.20 -1.89 116.66 110.76 2pqs n ARG 136 Ca -0.09 0.07 -0.33 0.00 -0.92 0.00 0.00 57.85 56.58 2pqs n ARG 136 Cb 0.62 -1.53 -0.13 0.00 0.45 0.00 0.00 32.46 31.87 2pqs n ARG 136 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2pqs s PHE 137 N -2.51 2.76 -0.03 -0.14 0.40 -0.85 0.33 117.98 117.95 2pqs s PHE 137 Ca -0.22 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 2pqs s PHE 137 Cb 0.07 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.92 2pqs s PHE 137 CO 0.72 0.13 -0.10 0.08 0.70 0.00 0.00 175.22 176.75 2pqs s VAL 138 N -0.53 0.88 -0.06 -0.44 1.01 -0.44 -1.69 120.40 119.14 2pqs s VAL 138 Ca 0.07 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.70 2pqs s VAL 138 Cb -0.12 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2pqs s VAL 138 CO 0.02 0.27 -0.25 -0.13 0.00 0.00 0.00 175.10 175.01 2pqs s ARG 139 N 0.17 2.55 -0.29 2.72 0.52 0.18 -0.49 118.95 124.30 2pqs s ARG 139 Ca -0.03 -0.90 -0.09 0.00 -0.52 0.00 0.00 55.73 54.19 2pqs s ARG 139 Cb -0.09 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.21 2pqs s ARG 139 CO 0.01 0.37 0.14 0.42 0.02 0.00 0.00 175.30 176.26 2pqs s ILE 140 N -0.14 4.67 -0.51 1.52 -1.09 -0.03 -1.15 121.20 124.47 2pqs s ILE 140 Ca -0.04 -0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 2pqs s ILE 140 Cb -0.14 -3.30 0.13 0.00 -1.58 0.00 0.00 42.46 37.57 2pqs s ILE 140 CO 0.04 0.17 0.33 -1.10 -1.23 0.00 0.00 174.94 173.15 2pqs s GLN 141 N 1.64 2.35 0.26 2.79 -0.21 0.06 -1.79 119.66 124.75 2pqs s GLN 141 Ca 0.06 -2.08 -0.31 0.00 0.02 0.00 0.00 55.36 53.05 2pqs s GLN 141 Cb -0.16 -3.73 -0.13 0.00 1.00 0.00 0.00 33.01 29.98 2pqs s GLN 141 CO 0.07 -1.14 1.43 -0.35 -2.12 0.00 0.00 175.29 173.18 2pqs n PRO 142 N 4.25 2.16 -0.08 2.91 -0.04 -1.26 -0.72 135.00 142.23 2pqs n PRO 142 Ca 0.01 0.77 -0.13 0.00 -0.04 0.00 0.00 63.50 64.11 2pqs n PRO 142 Cb 0.40 -2.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 2pqs n PRO 142 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2pqs n VAL 143 N 1.85 0.86 -4.12 0.52 0.31 0.14 -4.81 118.33 113.07 2pqs n VAL 143 Ca 0.11 -0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 64.01 2pqs n VAL 143 Cb 0.33 -1.31 -0.13 0.00 -0.91 0.00 0.00 33.84 31.82 2pqs n VAL 143 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pqs s ALA 144 N -2.29 0.57 0.18 3.52 0.00 -1.00 -4.96 121.76 117.79 2pqs s ALA 144 Ca -0.21 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 2pqs s ALA 144 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 2pqs s ALA 144 CO 0.31 0.05 0.24 1.67 0.00 0.00 0.00 175.76 178.03 2pqs s TRP 145 N -0.86 0.66 -0.27 0.00 -2.14 -1.26 -0.96 118.94 114.10 2pqs s TRP 145 Ca -0.04 -0.99 -0.04 0.00 2.66 0.00 0.00 56.10 57.69 2pqs s TRP 145 Cb -0.07 -0.21 0.02 0.00 -3.10 0.00 0.00 33.47 30.11 2pqs s TRP 145 CO 0.00 -0.71 0.00 -1.58 -2.66 0.00 0.00 176.95 172.00 2pqs s HIS 146 N -4.04 3.12 0.00 1.66 5.65 0.13 -4.82 115.29 116.99 2pqs s HIS 146 Ca 0.24 -1.33 0.00 0.00 0.25 0.00 0.00 55.06 54.22 2pqs s HIS 146 Cb 0.04 -2.15 0.00 0.00 -1.18 0.00 0.00 32.58 29.30 2pqs s HIS 146 CO 0.05 -0.67 0.00 0.09 -0.65 0.00 0.00 174.74 173.56 2pqs n ASN 147 N 4.75 0.00 -3.72 9.88 3.02 -1.26 -2.80 115.26 125.13 2pqs n ASN 147 Ca -0.15 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.29 2pqs n ASN 147 Cb 0.47 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 2pqs n ASN 147 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2pqs s ARG 148 N 0.00 0.92 -0.63 3.52 0.52 -1.26 -5.05 118.95 116.96 2pqs s ARG 148 Ca 0.00 -0.63 -0.28 0.00 -0.52 0.00 0.00 55.73 54.31 2pqs s ARG 148 Cb 0.00 0.40 0.03 0.00 0.52 0.00 0.00 34.95 35.90 2pqs s ARG 148 CO 0.00 -0.32 1.21 0.42 0.02 0.00 0.00 175.30 176.63 2pqs s ILE 149 N -3.17 3.94 -0.03 1.52 1.01 -1.26 -3.20 121.20 120.01 2pqs s ILE 149 Ca -0.01 0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.36 2pqs s ILE 149 Cb 0.01 -4.78 0.01 0.00 0.01 0.00 0.00 42.46 37.71 2pqs s ILE 149 CO -0.07 -1.50 -0.07 -0.89 0.00 0.00 0.00 174.94 172.41 2pqs s THR 150 N 5.15 0.66 0.04 2.92 2.01 -1.26 -1.77 115.64 123.39 2pqs s THR 150 Ca 0.40 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 2pqs s THR 150 Cb -0.08 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 2pqs s THR 150 CO 0.22 0.23 0.02 -0.76 -0.69 0.00 0.00 174.62 173.63 2pqs s LEU 151 N 0.45 2.16 -0.09 4.42 1.43 0.13 -3.45 118.68 123.73 2pqs s LEU 151 Ca -0.07 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 2pqs s LEU 151 Cb -0.11 0.33 0.05 0.00 0.03 0.00 0.00 46.19 46.49 2pqs s LEU 151 CO 0.01 -0.49 0.15 -0.13 0.23 0.00 0.00 176.35 176.12 2pqs s ARG 152 N -2.81 0.03 0.36 1.70 0.52 -1.02 -1.82 118.95 115.91 2pqs s ARG 152 Ca -0.03 0.48 0.07 0.00 -0.52 0.00 0.00 55.73 55.73 2pqs s ARG 152 Cb -0.00 -0.45 -0.07 0.00 0.52 0.00 0.00 34.95 34.95 2pqs s ARG 152 CO -0.06 -0.36 -0.03 0.08 0.02 0.00 0.00 175.30 174.96 2pqs s VAL 153 N 2.28 1.92 -0.24 3.52 1.01 0.39 -1.06 120.40 128.20 2pqs s VAL 153 Ca 0.04 -2.08 -0.15 0.00 0.00 0.00 0.00 61.98 59.78 2pqs s VAL 153 Cb -0.12 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.55 2pqs s VAL 153 CO -0.06 -0.11 0.60 -0.70 0.00 0.00 0.00 175.10 174.83 2pqs s GLU 154 N -3.70 0.62 -0.01 2.72 2.56 -0.58 -0.02 118.70 120.29 2pqs s GLU 154 Ca 0.34 1.07 -0.01 0.00 0.00 0.00 0.00 54.97 56.37 2pqs s GLU 154 Cb 0.06 0.11 -0.04 0.00 2.00 0.00 0.00 34.13 36.27 2pqs s GLU 154 CO 0.16 -0.15 0.09 -0.51 -0.56 0.00 0.00 175.26 174.29 2pqs s LEU 155 N 1.44 3.93 0.15 2.70 1.02 -1.26 -1.26 118.68 125.40 2pqs s LEU 155 Ca -0.09 0.16 0.10 0.00 0.02 0.00 0.00 54.13 54.32 2pqs s LEU 155 Cb -0.06 -2.29 -0.04 0.00 0.02 0.00 0.00 46.19 43.82 2pqs s LEU 155 CO -0.16 0.27 -0.21 -0.76 0.02 0.00 0.00 176.35 175.52 2pqs s LEU 156 N -1.74 2.56 0.00 1.79 1.43 -0.58 -0.12 118.68 122.03 2pqs s LEU 156 Ca 0.23 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2pqs s LEU 156 Cb -0.12 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.73 2pqs s LEU 156 CO 0.14 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2pqs n GLY 157 N 0.56 -0.38 0.00 -3.19 0.00 -0.07 -0.46 105.19 101.65 2pqs n GLY 157 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2pqs n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32