#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zqr n THR 10 N 0.00 0.00 0.43 2.62 5.66 -1.26 -4.81 114.28 116.92 1zqr n THR 10 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1zqr n THR 10 Cb 0.00 0.00 0.28 0.00 -1.55 0.00 0.00 70.33 69.06 1zqr n THR 10 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1zqr h LEU 11 N 0.00 0.00 -2.34 1.09 -0.00 -1.97 -3.31 115.31 108.78 1zqr h LEU 11 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1zqr h LEU 11 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1zqr h LEU 11 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 178.44 179.03 1zqr n ASN 12 N -2.64 1.51 0.00 0.17 5.03 -1.26 -4.57 115.26 113.51 1zqr n ASN 12 Ca 0.05 -1.69 0.00 0.00 0.87 0.00 0.00 54.58 53.81 1zqr n ASN 12 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 1zqr n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zqr n GLY 13 N -0.34 -0.11 0.18 7.41 0.00 -1.25 -0.55 105.19 110.53 1zqr n GLY 13 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1zqr n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zqr n GLY 14 N 0.00 -0.26 0.07 -0.02 0.00 -1.26 0.26 105.19 103.98 1zqr n GLY 14 Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1zqr n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1zqr h ILE 15 N 0.00 1.58 -0.74 -0.61 2.04 -1.46 -3.03 117.51 115.29 1zqr h ILE 15 Ca 0.25 -1.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 1zqr h ILE 15 Cb 0.96 2.87 -0.04 0.00 -0.74 0.00 0.00 36.82 39.88 1zqr h ILE 15 CO -0.04 0.49 0.38 0.71 0.00 0.00 0.00 178.15 179.69 1zqr h THR 16 N -0.89 1.23 -0.08 -0.27 1.35 0.61 -2.79 112.91 112.07 1zqr h THR 16 Ca -0.00 -0.59 -0.09 0.00 -0.55 0.00 0.00 66.41 65.18 1zqr h THR 16 Cb 0.82 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1zqr h THR 16 CO 0.00 0.26 -0.30 0.44 -0.25 0.00 0.00 175.52 175.67 1zqr h ASP 17 N 1.04 0.40 -0.24 5.36 3.32 -1.53 -2.34 116.42 122.42 1zqr h ASP 17 Ca 0.26 -0.63 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 1zqr h ASP 17 Cb 0.06 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1zqr h ASP 17 CO -0.04 0.96 0.08 -0.03 -1.72 0.00 0.00 179.24 178.49 1zqr h MET 18 N -0.14 0.36 -0.71 3.56 1.85 -1.60 0.99 114.93 119.24 1zqr h MET 18 Ca -0.02 -0.07 0.12 0.00 -0.61 0.00 0.00 59.70 59.11 1zqr h MET 18 Cb 0.94 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.87 1zqr h MET 18 CO 0.06 0.44 0.47 1.25 -0.40 0.00 0.00 176.91 178.73 1zqr h LEU 19 N 0.22 0.46 0.17 3.39 5.85 -1.57 2.25 115.31 126.08 1zqr h LEU 19 Ca 0.08 0.02 -0.30 0.00 0.84 0.00 0.00 57.88 58.51 1zqr h LEU 19 Cb 0.22 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.18 1zqr h LEU 19 CO -0.00 0.26 -1.39 0.71 -0.34 0.00 0.00 178.44 177.68 1zqr h THR 20 N 0.50 1.35 -0.49 1.05 1.35 -1.22 -0.70 112.91 114.75 1zqr h THR 20 Ca 0.34 -2.88 -0.02 0.00 -0.55 0.00 0.00 66.41 63.29 1zqr h THR 20 Cb 0.62 2.94 -0.02 0.00 -1.73 0.00 0.00 68.15 69.96 1zqr h THR 20 CO -0.11 0.85 0.22 -0.33 -0.25 0.00 0.00 175.52 175.90 1zqr h GLU 21 N 0.10 0.72 -0.04 4.72 5.08 0.19 -2.08 114.58 123.27 1zqr h GLU 21 Ca -0.20 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1zqr h GLU 21 Cb 2.05 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 31.14 1zqr h GLU 21 CO 0.22 0.62 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.60 1zqr h LEU 22 N 0.65 -0.53 -0.14 1.33 -0.00 0.37 -3.11 115.31 113.88 1zqr h LEU 22 Ca 0.17 0.08 0.05 0.00 -0.00 0.00 0.00 57.88 58.18 1zqr h LEU 22 Cb 0.16 0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 40.99 1zqr h LEU 22 CO -0.02 -0.24 -0.25 0.00 -0.00 0.00 0.00 178.44 177.93 1zqr h ALA 23 N 0.68 -0.24 -0.74 1.53 0.00 -0.71 -3.12 119.26 116.66 1zqr h ALA 23 Ca 0.07 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1zqr h ALA 23 Cb 0.36 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1zqr h ALA 23 CO -0.20 -0.71 0.46 -0.91 0.00 0.00 0.00 179.25 177.88 1zqr h ASN 24 N -0.32 0.73 -0.51 0.00 2.35 -1.47 -2.29 115.58 114.07 1zqr h ASN 24 Ca 0.10 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1zqr h ASN 24 Cb 0.47 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1zqr h ASN 24 CO -0.32 0.50 0.30 0.15 -1.65 0.00 0.00 177.43 176.41 1zqr h PHE 25 N 0.87 0.68 -0.20 1.19 3.57 -1.47 -0.43 116.94 121.15 1zqr h PHE 25 Ca 0.31 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 1zqr h PHE 25 Cb 0.07 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1zqr h PHE 25 CO -0.04 0.48 -0.33 0.93 -2.23 0.00 0.00 178.31 177.11 1zqr h GLU 26 N 0.68 0.41 0.41 1.11 4.39 -1.55 -1.26 114.58 118.78 1zqr h GLU 26 Ca 0.18 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1zqr h GLU 26 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1zqr h GLU 26 CO -0.03 0.70 -0.20 -0.22 -1.16 0.00 0.00 179.01 178.10 1zqr h LYS 27 N 0.36 -0.53 0.00 2.33 1.63 -1.19 -2.03 116.57 117.14 1zqr h LYS 27 Ca 0.04 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1zqr h LYS 27 Cb 0.75 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1zqr h LYS 27 CO 0.06 -0.28 0.00 0.09 -3.45 0.00 0.00 179.45 175.87 1zqr n ASN 28 N -5.28 0.00 -0.18 4.20 5.03 -0.19 -4.53 115.26 114.31 1zqr n ASN 28 Ca -0.11 0.00 0.29 0.00 0.87 0.00 0.00 54.58 55.63 1zqr n ASN 28 Cb 0.26 0.00 0.73 0.00 -1.02 0.00 0.00 39.78 39.75 1zqr n ASN 28 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1zqr h VAL 29 N 0.00 0.55 -1.70 2.41 2.07 -1.47 -3.42 116.25 114.69 1zqr h VAL 29 Ca 0.00 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.95 1zqr h VAL 29 Cb 0.00 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1zqr h VAL 29 CO 0.00 0.00 -0.53 -0.94 0.02 0.00 0.00 177.57 176.12 1zqr s SER 30 N -5.62 4.37 -0.26 0.57 1.04 -0.93 -5.02 113.70 107.85 1zqr s SER 30 Ca -0.05 -1.04 0.12 0.00 0.48 0.00 0.00 55.95 55.46 1zqr s SER 30 Cb 0.21 -0.52 0.64 0.00 0.10 0.00 0.00 66.02 66.46 1zqr s SER 30 CO 0.77 -0.44 1.62 1.67 0.98 0.00 0.00 173.24 177.83 1zqr n GLN 31 N -1.15 3.21 -0.62 4.02 7.27 -1.18 -4.07 117.38 124.87 1zqr n GLN 31 Ca -0.02 -3.03 -0.20 0.00 0.07 0.00 0.00 57.00 53.82 1zqr n GLN 31 Cb 0.64 -2.03 -0.02 0.00 2.41 0.00 0.00 30.24 31.24 1zqr n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1zqr n ALA 32 N -0.39 3.72 -0.34 1.69 0.00 -0.77 -4.81 120.51 119.60 1zqr n ALA 32 Ca 0.32 -1.71 0.15 0.00 0.00 0.00 0.00 53.44 52.19 1zqr n ALA 32 Cb 1.15 -2.97 0.29 0.00 0.00 0.00 0.00 19.45 17.92 1zqr n ALA 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1zqr n ILE 33 N 4.60 -0.41 0.14 0.00 0.13 -1.26 -0.13 119.36 122.42 1zqr n ILE 33 Ca 0.36 2.17 -0.13 0.00 -1.10 0.00 0.00 62.75 64.05 1zqr n ILE 33 Cb 0.13 -3.17 -0.08 0.00 -0.84 0.00 0.00 39.64 35.69 1zqr n ILE 33 CO 0.00 0.00 0.00 0.45 2.80 0.00 0.00 176.55 179.80 1zqr h HIS 34 N 0.00 -0.37 -0.43 9.51 3.86 -1.97 0.34 115.15 126.09 1zqr h HIS 34 Ca 0.60 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.89 1zqr h HIS 34 Cb 1.25 0.12 -0.09 0.00 1.06 0.00 0.00 27.41 29.75 1zqr h HIS 34 CO -0.50 -0.02 -0.20 0.87 0.86 0.00 0.00 177.93 178.94 1zqr h LYS 35 N -0.81 -0.10 0.07 2.45 1.57 -1.73 2.74 116.57 120.74 1zqr h LYS 35 Ca -0.04 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1zqr h LYS 35 Cb 0.51 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1zqr h LYS 35 CO 0.07 -0.07 -0.26 -0.92 -0.57 0.00 0.00 179.45 177.69 1zqr h TYR 36 N -0.11 -0.71 -0.81 -1.35 5.03 -0.56 0.24 116.97 118.69 1zqr h TYR 36 Ca 0.21 0.02 0.19 0.00 2.58 0.00 0.00 58.73 61.73 1zqr h TYR 36 Cb 0.43 0.31 -0.05 0.00 1.55 0.00 0.00 36.73 38.97 1zqr h TYR 36 CO -0.45 -0.36 0.55 -0.97 -1.32 0.00 0.00 178.16 175.61 1zqr h ASN 37 N -0.44 0.29 0.56 -2.11 -0.00 0.42 -1.79 115.58 112.51 1zqr h ASN 37 Ca 0.04 0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.34 1zqr h ASN 37 Cb 0.50 -0.03 0.01 0.00 -0.00 0.00 0.00 38.32 38.79 1zqr h ASN 37 CO -0.19 0.13 -0.27 0.00 -0.00 0.00 0.00 177.43 177.10 1zqr h ALA 38 N 1.63 -0.75 -0.97 1.57 0.00 0.69 -3.17 119.26 118.26 1zqr h ALA 38 Ca 0.41 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.36 1zqr h ALA 38 Cb 1.14 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 1zqr h ALA 38 CO -0.11 -0.77 0.64 1.88 0.00 0.00 0.00 179.25 180.89 1zqr h TYR 39 N -1.05 0.52 -0.01 0.00 0.05 0.23 -2.90 116.97 113.81 1zqr h TYR 39 Ca -0.08 0.02 -0.22 0.00 0.05 0.00 0.00 58.73 58.50 1zqr h TYR 39 Cb 0.64 -0.16 0.02 0.00 1.01 0.00 0.00 36.73 38.24 1zqr h TYR 39 CO 0.01 0.10 -0.87 0.07 -1.05 0.00 0.00 178.16 176.41 1zqr h ARG 40 N 0.36 0.60 -0.20 4.88 0.11 -1.57 -2.14 114.38 116.42 1zqr h ARG 40 Ca 0.52 -0.64 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 1zqr h ARG 40 Cb 1.40 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.65 1zqr h ARG 40 CO -0.20 1.24 0.04 1.57 0.10 0.00 0.00 179.97 182.72 1zqr h LYS 41 N 0.22 0.33 0.26 0.08 -0.00 -1.48 0.90 116.57 116.88 1zqr h LYS 41 Ca -0.11 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.65 60.45 1zqr h LYS 41 Cb 1.54 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.72 1zqr h LYS 41 CO 0.17 0.47 -0.29 0.00 -0.00 0.00 0.00 179.45 179.81 1zqr h ALA 42 N 0.84 -0.96 0.00 0.07 0.00 -1.66 0.46 119.26 118.01 1zqr h ALA 42 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zqr h ALA 42 Cb 0.30 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1zqr h ALA 42 CO 0.00 -0.98 0.56 0.00 0.00 0.00 0.00 179.25 178.83 1zqr h ALA 43 N -1.25 1.52 0.00 0.00 0.00 -1.31 0.70 119.26 118.91 1zqr h ALA 43 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1zqr h ALA 43 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1zqr h ALA 43 CO -0.05 -0.52 -0.06 1.03 0.00 0.00 0.00 179.25 179.65 1zqr h SER 44 N 0.00 0.00 -0.40 0.00 0.87 0.20 -3.27 113.55 110.94 1zqr h SER 44 Ca 0.00 -0.48 -0.13 0.00 -1.23 0.00 0.00 61.79 59.95 1zqr h SER 44 Cb 1.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1zqr h SER 44 CO 0.00 0.77 -0.25 -0.37 -0.53 0.00 0.00 176.83 176.45 1zqr h VAL 45 N -1.00 1.28 0.00 2.23 -1.51 0.28 -2.75 116.25 114.77 1zqr h VAL 45 Ca -0.01 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.05 1zqr h VAL 45 Cb 0.52 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1zqr h VAL 45 CO -0.01 0.47 0.00 2.30 -1.23 0.00 0.00 177.57 179.11 1zqr n ILE 46 N -4.17 1.55 -0.03 7.19 -6.64 0.21 -1.80 119.36 115.68 1zqr n ILE 46 Ca -0.02 0.44 -0.17 0.00 -1.77 0.00 0.00 62.75 61.24 1zqr n ILE 46 Cb 0.47 -1.37 -0.14 0.00 -1.44 0.00 0.00 39.64 37.16 1zqr n ILE 46 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1zqr h ALA 47 N 2.15 -0.01 -0.04 -1.28 0.00 -1.54 -3.38 119.26 115.16 1zqr h ALA 47 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 1zqr h ALA 47 Cb 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1zqr h ALA 47 CO 0.00 0.20 -0.58 0.87 0.00 0.00 0.00 179.25 179.73 1zqr h LYS 48 N -0.76 0.12 -6.22 0.00 1.57 -1.23 -3.39 116.57 106.66 1zqr h LYS 48 Ca -0.08 -0.08 -0.55 0.00 -1.87 0.00 0.00 60.65 58.07 1zqr h LYS 48 Cb 1.26 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.59 1zqr h LYS 48 CO 0.04 0.67 1.30 -0.47 -0.57 0.00 0.00 179.45 180.42 1zqr s TYR 49 N -3.75 1.36 -1.16 -1.35 5.04 -1.08 -4.84 117.35 111.57 1zqr s TYR 49 Ca -0.03 0.01 0.05 0.00 -2.44 0.00 0.00 57.07 54.66 1zqr s TYR 49 Cb 0.13 -4.10 0.24 0.00 0.35 0.00 0.00 41.96 38.58 1zqr s TYR 49 CO 0.78 -4.72 1.11 -0.35 -1.34 0.00 0.00 175.55 171.03 1zqr n PRO 50 N 7.95 0.03 -4.40 4.97 -0.04 -1.26 -4.85 135.00 137.39 1zqr n PRO 50 Ca 0.23 0.35 -0.20 0.00 -0.04 0.00 0.00 63.50 63.83 1zqr n PRO 50 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 1zqr n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1zqr s HIS 51 N -2.84 1.87 -0.50 0.54 3.76 -1.26 -5.10 115.29 111.76 1zqr s HIS 51 Ca 0.03 -0.65 -0.27 0.00 -0.15 0.00 0.00 55.06 54.02 1zqr s HIS 51 Cb 0.03 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.71 1zqr s HIS 51 CO 0.09 0.31 1.74 0.15 -0.85 0.00 0.00 174.74 176.18 1zqr s LYS 52 N -3.70 3.02 -0.04 1.40 1.02 -1.26 -4.85 119.74 115.33 1zqr s LYS 52 Ca 0.27 0.87 -0.34 0.00 0.02 0.00 0.00 55.97 56.79 1zqr s LYS 52 Cb 0.02 -4.26 -0.12 0.00 -0.52 0.00 0.00 37.83 32.94 1zqr s LYS 52 CO 0.10 -2.26 1.80 -0.89 -0.92 0.00 0.00 175.35 173.19 1zqr n ILE 53 N 7.22 0.44 0.06 2.17 5.41 -1.26 -4.78 119.36 128.62 1zqr n ILE 53 Ca 0.20 -0.08 0.07 0.00 1.00 0.00 0.00 62.75 63.93 1zqr n ILE 53 Cb 0.50 -1.77 -0.10 0.00 -0.71 0.00 0.00 39.64 37.56 1zqr n ILE 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1zqr n LYS 54 N 5.85 0.66 -3.58 0.38 3.00 -1.26 -5.01 118.16 118.20 1zqr n LYS 54 Ca 0.21 -0.11 -0.15 0.00 -0.00 0.00 0.00 58.31 58.27 1zqr n LYS 54 Cb 0.29 -1.29 -0.06 0.00 0.00 0.00 0.00 35.03 33.97 1zqr n LYS 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1zqr s SER 55 N -3.37 -0.47 0.15 3.14 1.04 -1.26 -5.02 113.70 107.92 1zqr s SER 55 Ca -0.04 0.28 -0.23 0.00 0.48 0.00 0.00 55.95 56.44 1zqr s SER 55 Cb 0.09 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1zqr s SER 55 CO 0.55 -0.67 1.62 1.23 0.98 0.00 0.00 173.24 176.94 1zqr h GLY 56 N 2.92 -0.22 -0.50 7.32 0.00 -1.88 0.71 103.07 111.43 1zqr h GLY 56 Ca -0.30 0.35 0.33 0.00 0.00 0.00 0.00 47.33 47.71 1zqr h GLY 56 CO 0.41 -0.21 0.74 0.00 0.00 0.00 0.00 176.54 177.48 1zqr h ALA 57 N 0.74 2.44 0.01 3.60 0.00 -1.97 1.15 119.26 125.23 1zqr h ALA 57 Ca 0.15 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1zqr h ALA 57 Cb 0.50 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1zqr h ALA 57 CO -0.44 -0.93 -0.00 1.49 0.00 0.00 0.00 179.25 179.38 1zqr h GLU 58 N 0.27 -0.01 0.19 0.00 4.81 -0.11 -3.28 114.58 116.44 1zqr h GLU 58 Ca 0.68 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.92 1zqr h GLU 58 Cb 1.92 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.26 1zqr h GLU 58 CO -0.33 0.55 -0.36 0.00 -0.73 0.00 0.00 179.01 178.14 1zqr h ALA 59 N 0.41 -0.66 -1.28 2.92 0.00 0.30 -2.87 119.26 118.07 1zqr h ALA 59 Ca -0.00 -0.08 0.39 0.00 0.00 0.00 0.00 54.91 55.22 1zqr h ALA 59 Cb 0.56 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1zqr h ALA 59 CO 0.00 -0.93 0.90 1.17 0.00 0.00 0.00 179.25 180.40 1zqr n LYS 60 N -5.44 -0.01 0.30 0.00 4.81 0.34 0.43 118.16 118.59 1zqr n LYS 60 Ca -0.08 0.79 0.18 0.00 -0.87 0.00 0.00 58.31 58.34 1zqr n LYS 60 Cb 0.35 -1.75 0.94 0.00 0.02 0.00 0.00 35.03 34.59 1zqr n LYS 60 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1zqr h LYS 61 N 0.00 0.00 -6.99 1.64 1.57 -1.57 -3.44 116.57 107.78 1zqr h LYS 61 Ca 0.65 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 59.01 1zqr h LYS 61 Cb 2.48 0.00 0.22 0.00 0.08 0.00 0.00 32.23 35.02 1zqr h LYS 61 CO -0.10 0.03 -0.25 1.28 -0.57 0.00 0.00 179.45 179.85 1zqr n LEU 62 N -3.30 -1.84 -4.86 2.94 4.32 1.47 -4.98 117.00 110.75 1zqr n LEU 62 Ca -0.02 -0.29 -0.33 0.00 -0.02 0.00 0.00 56.01 55.35 1zqr n LEU 62 Cb 0.17 -1.15 -0.06 0.00 -1.62 0.00 0.00 43.42 40.76 1zqr n LEU 62 CO 0.25 -3.48 0.25 -2.84 -1.22 0.00 0.00 177.39 170.35 1zqr s PRO 63 N -4.26 3.90 0.00 3.23 0.02 -1.26 -3.66 135.00 132.96 1zqr s PRO 63 Ca 0.66 0.42 0.00 0.00 0.02 0.00 0.00 61.00 62.10 1zqr s PRO 63 Cb -0.21 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.57 1zqr s PRO 63 CO 0.64 0.36 0.00 0.41 -0.33 0.00 0.00 177.00 178.08 1zqr n GLY 64 N 0.21 1.32 3.62 0.52 0.00 -1.26 -4.77 105.19 104.83 1zqr n GLY 64 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1zqr n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zqr s VAL 65 N -2.14 5.25 0.00 1.61 1.01 -1.24 -4.72 120.40 120.17 1zqr s VAL 65 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1zqr s VAL 65 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1zqr s VAL 65 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1zqr n GLY 66 N 4.56 6.11 0.24 4.51 0.00 -1.26 -4.76 105.19 114.58 1zqr n GLY 66 Ca -0.11 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 43.83 1zqr n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zqr h THR 67 N 0.20 1.24 0.21 2.61 1.03 -1.96 -2.27 112.91 113.97 1zqr h THR 67 Ca 0.00 -1.08 -0.01 0.00 -0.01 0.00 0.00 66.41 65.31 1zqr h THR 67 Cb 0.00 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1zqr h THR 67 CO 0.00 0.34 -0.10 0.11 -0.01 0.00 0.00 175.52 175.86 1zqr h LYS 68 N 0.34 -0.28 -0.24 0.00 1.57 -1.98 -1.12 116.57 114.85 1zqr h LYS 68 Ca 0.06 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1zqr h LYS 68 Cb 0.54 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1zqr h LYS 68 CO 0.04 0.11 -0.03 0.82 -0.57 0.00 0.00 179.45 179.82 1zqr h ILE 69 N -0.87 1.27 -0.56 1.86 2.04 -1.94 -2.43 117.51 116.89 1zqr h ILE 69 Ca -0.03 -0.98 0.08 0.00 1.00 0.00 0.00 64.86 64.93 1zqr h ILE 69 Cb 0.51 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 1zqr h ILE 69 CO 0.05 0.31 0.22 0.00 0.00 0.00 0.00 178.15 178.72 1zqr h ALA 70 N 0.79 0.71 -0.84 1.87 0.00 -1.51 0.70 119.26 120.96 1zqr h ALA 70 Ca 0.07 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1zqr h ALA 70 Cb 0.46 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1zqr h ALA 70 CO 0.02 -0.18 0.47 1.49 0.00 0.00 0.00 179.25 181.05 1zqr h GLU 71 N 0.41 0.74 0.23 0.00 4.81 -1.12 -0.64 114.58 118.99 1zqr h GLU 71 Ca 0.27 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1zqr h GLU 71 Cb 0.30 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1zqr h GLU 71 CO -0.26 0.49 -0.19 0.87 -0.73 0.00 0.00 179.01 179.19 1zqr h LYS 72 N 0.76 -0.41 -0.89 1.92 1.57 -0.02 -2.32 116.57 117.18 1zqr h LYS 72 Ca 0.42 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.39 1zqr h LYS 72 Cb 0.46 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 1zqr h LYS 72 CO -0.28 -0.27 0.57 0.82 -0.57 0.00 0.00 179.45 179.72 1zqr h ILE 73 N -0.43 0.79 -0.54 1.86 2.04 0.17 -0.42 117.51 120.98 1zqr h ILE 73 Ca -0.01 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1zqr h ILE 73 Cb 0.38 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1zqr h ILE 73 CO -0.02 0.11 0.29 0.44 0.00 0.00 0.00 178.15 178.98 1zqr h ASP 74 N 0.62 0.68 -0.49 1.72 3.32 -0.69 -1.38 116.42 120.20 1zqr h ASP 74 Ca 0.45 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.43 1zqr h ASP 74 Cb 0.82 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1zqr h ASP 74 CO -0.20 0.58 0.29 -0.08 -1.72 0.00 0.00 179.24 178.10 1zqr h GLU 75 N 0.73 0.55 -0.56 3.56 4.81 -0.90 0.48 114.58 123.25 1zqr h GLU 75 Ca 0.19 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1zqr h GLU 75 Cb 0.05 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1zqr h GLU 75 CO -0.03 0.37 0.34 0.35 -0.73 0.00 0.00 179.01 179.31 1zqr h PHE 76 N 0.57 0.75 -0.03 0.92 3.57 -1.11 -0.67 116.94 120.94 1zqr h PHE 76 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1zqr h PHE 76 Cb 0.03 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1zqr h PHE 76 CO -0.07 0.51 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.44 1zqr h LEU 77 N 0.76 0.06 0.00 0.59 4.07 -0.95 -3.32 115.31 116.52 1zqr h LEU 77 Ca 0.20 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1zqr h LEU 77 Cb -0.01 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1zqr h LEU 77 CO -0.04 0.49 0.00 0.00 -1.08 0.00 0.00 178.44 177.81 1zqr n ALA 78 N -2.33 -0.45 -2.84 1.53 0.00 0.17 -4.66 120.51 111.92 1zqr n ALA 78 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1zqr n ALA 78 Cb 0.24 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 1zqr n ALA 78 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1zqr s THR 79 N -2.94 5.44 -0.41 0.00 -4.23 -0.27 -4.98 115.64 108.25 1zqr s THR 79 Ca 0.00 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1zqr s THR 79 Cb 0.00 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1zqr s THR 79 CO 0.00 0.55 0.19 0.61 -0.54 0.00 0.00 174.62 175.43 1zqr n GLY 80 N 1.74 0.42 2.77 3.99 0.00 -1.25 -4.04 105.19 108.82 1zqr n GLY 80 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1zqr n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zqr n LYS 81 N 0.68 0.68 -3.78 1.61 4.76 -1.26 -5.07 118.16 115.78 1zqr n LYS 81 Ca 0.00 -2.06 -0.13 0.00 -2.87 0.00 0.00 58.31 53.25 1zqr n LYS 81 Cb 0.09 2.16 -0.14 0.00 -1.84 0.00 0.00 35.03 35.30 1zqr n LYS 81 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1zqr s LEU 82 N 0.00 1.04 -0.04 -0.35 2.96 -1.26 -3.50 118.68 117.53 1zqr s LEU 82 Ca 0.19 0.22 -0.26 0.00 -0.22 0.00 0.00 54.13 54.06 1zqr s LEU 82 Cb -0.02 0.27 -0.21 0.00 0.50 0.00 0.00 46.19 46.73 1zqr s LEU 82 CO 0.14 -0.11 1.19 -0.09 -1.32 0.00 0.00 176.35 176.16 1zqr h ARG 83 N 6.91 -0.00 -1.12 1.98 2.43 -1.98 -1.11 114.38 121.48 1zqr h ARG 83 Ca -0.39 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.10 1zqr h ARG 83 Cb 1.15 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.62 1zqr h ARG 83 CO 0.44 0.56 0.74 -0.22 -1.51 0.00 0.00 179.97 179.98 1zqr h LYS 84 N -0.57 0.25 -0.08 0.20 3.64 -1.99 1.08 116.57 119.10 1zqr h LYS 84 Ca -0.00 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 1zqr h LYS 84 Cb 0.56 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1zqr h LYS 84 CO 0.00 0.17 -0.83 1.25 -2.27 0.00 0.00 179.45 177.77 1zqr h LEU 85 N 0.26 0.69 -0.29 5.20 5.85 -1.92 -3.24 115.31 121.84 1zqr h LEU 85 Ca 0.63 -0.48 -0.19 0.00 0.84 0.00 0.00 57.88 58.67 1zqr h LEU 85 Cb 1.85 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1zqr h LEU 85 CO -0.25 1.26 -0.60 1.05 -0.34 0.00 0.00 178.44 179.55 1zqr h GLU 86 N 0.36 0.82 0.54 1.25 4.11 0.24 -2.69 114.58 119.22 1zqr h GLU 86 Ca -0.06 -0.55 -0.03 0.00 0.07 0.00 0.00 59.36 58.79 1zqr h GLU 86 Cb 1.44 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.77 1zqr h GLU 86 CO 0.15 1.18 -0.26 -0.22 0.07 0.00 0.00 179.01 179.93 1zqr h LYS 87 N 0.61 -0.70 -0.24 1.06 3.64 -1.07 -2.25 116.57 117.61 1zqr h LYS 87 Ca -0.00 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1zqr h LYS 87 Cb 1.21 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 33.13 1zqr h LYS 87 CO 0.13 -0.40 -0.15 0.82 -2.27 0.00 0.00 179.45 177.58 1zqr h ILE 88 N -1.06 0.57 -1.01 2.00 2.04 -1.70 0.83 117.51 119.18 1zqr h ILE 88 Ca -0.07 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.05 1zqr h ILE 88 Cb 0.63 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 1zqr h ILE 88 CO 0.12 0.00 0.68 -0.09 0.00 0.00 0.00 178.15 178.86 1zqr h ARG 89 N -0.13 0.27 0.01 2.37 1.12 -1.47 0.32 114.38 116.86 1zqr h ARG 89 Ca 0.13 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.97 1zqr h ARG 89 Cb 0.33 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 1zqr h ARG 89 CO -0.32 0.18 -0.06 1.96 -3.11 0.00 0.00 179.97 178.62 1zqr h GLN 90 N 0.28 0.03 -6.02 0.20 4.20 -0.45 -3.47 115.11 109.88 1zqr h GLN 90 Ca 0.53 -0.04 -0.76 0.00 0.06 0.00 0.00 58.65 58.45 1zqr h GLN 90 Cb 1.57 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.35 1zqr h GLN 90 CO -0.18 0.92 1.19 -3.47 -0.67 0.00 0.00 178.83 176.62 1zqr n ASP 91 N -4.62 1.45 -0.22 1.46 2.03 0.27 -4.89 116.55 112.04 1zqr n ASP 91 Ca -0.10 0.75 0.01 0.00 0.52 0.00 0.00 54.79 55.97 1zqr n ASP 91 Cb 0.46 -1.03 0.12 0.00 -0.72 0.00 0.00 41.12 39.95 1zqr n ASP 91 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1zqr h ASP 92 N 9.01 0.32 -0.30 1.67 3.58 -1.90 0.35 116.42 129.15 1zqr h ASP 92 Ca -0.25 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.23 1zqr h ASP 92 Cb 1.37 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 1zqr h ASP 92 CO 1.03 0.18 0.04 0.74 -2.88 0.00 0.00 179.24 178.36 1zqr h THR 93 N 0.48 1.24 -0.54 2.25 2.02 -1.96 -1.22 112.91 115.18 1zqr h THR 93 Ca 0.32 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 1zqr h THR 93 Cb 0.38 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1zqr h THR 93 CO -0.29 0.27 0.02 -1.28 0.37 0.00 0.00 175.52 174.60 1zqr h SER 94 N 0.33 0.88 -0.04 4.18 0.87 -1.78 -0.80 113.55 117.18 1zqr h SER 94 Ca 0.09 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1zqr h SER 94 Cb 0.35 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1zqr h SER 94 CO 0.01 0.93 -0.20 0.28 -0.53 0.00 0.00 176.83 177.32 1zqr h SER 95 N 0.85 -0.63 -0.70 6.23 0.02 0.06 -1.79 113.55 117.58 1zqr h SER 95 Ca 0.16 0.07 0.14 0.00 -0.84 0.00 0.00 61.79 61.32 1zqr h SER 95 Cb 0.48 0.24 -0.13 0.00 0.14 0.00 0.00 62.40 63.13 1zqr h SER 95 CO 0.02 -0.18 -0.17 0.28 -1.14 0.00 0.00 176.83 175.63 1zqr h SER 96 N -0.22 -0.65 -0.93 3.07 0.02 -1.21 0.72 113.55 114.34 1zqr h SER 96 Ca 0.01 0.21 0.13 0.00 -0.84 0.00 0.00 61.79 61.30 1zqr h SER 96 Cb 0.26 0.43 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 1zqr h SER 96 CO -0.15 -0.23 0.59 0.40 -1.14 0.00 0.00 176.83 176.30 1zqr h ILE 97 N 0.00 0.88 0.00 3.27 2.04 -0.34 -0.96 117.51 122.40 1zqr h ILE 97 Ca 0.33 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 1zqr h ILE 97 Cb 0.51 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1zqr h ILE 97 CO -0.72 0.15 -0.41 0.78 0.00 0.00 0.00 178.15 177.95 1zqr h ASN 98 N 0.82 0.00 0.31 1.72 4.21 0.12 -2.78 115.58 119.98 1zqr h ASN 98 Ca 0.46 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.95 1zqr h ASN 98 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1zqr h ASN 98 CO -0.22 0.41 -0.15 0.15 -1.29 0.00 0.00 177.43 176.33 1zqr h PHE 99 N 0.00 -0.38 -1.07 1.19 3.57 -0.39 -3.30 116.94 116.57 1zqr h PHE 99 Ca -0.00 -0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.77 1zqr h PHE 99 Cb 0.79 0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.55 1zqr h PHE 99 CO 0.00 -0.24 0.68 -0.07 -2.23 0.00 0.00 178.31 176.45 1zqr h LEU 100 N -0.99 0.46 -1.06 0.59 4.07 -1.33 0.41 115.31 117.46 1zqr h LEU 100 Ca -0.04 0.10 0.23 0.00 0.08 0.00 0.00 57.88 58.25 1zqr h LEU 100 Cb 0.32 0.03 -0.11 0.00 1.08 0.00 0.00 40.66 41.98 1zqr h LEU 100 CO 0.07 0.05 0.61 0.74 -1.08 0.00 0.00 178.44 178.83 1zqr h THR 101 N 0.38 0.60 0.00 0.22 2.02 -1.56 -1.82 112.91 112.75 1zqr h THR 101 Ca 0.63 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.60 1zqr h THR 101 Cb 1.60 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1zqr h THR 101 CO -0.35 0.11 0.20 0.03 0.37 0.00 0.00 175.52 175.88 1zqr h ARG 102 N 0.63 0.00 -6.27 6.66 3.08 -0.28 -3.41 114.38 114.80 1zqr h ARG 102 Ca 0.61 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 60.09 1zqr h ARG 102 Cb 1.13 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.09 1zqr h ARG 102 CO -0.41 0.00 0.88 0.08 -1.07 0.00 0.00 179.97 179.45 1zqr s VAL 103 N -3.50 4.03 -0.23 2.04 1.01 -0.69 -4.93 120.40 118.13 1zqr s VAL 103 Ca -0.02 0.52 -0.37 0.00 0.00 0.00 0.00 61.98 62.10 1zqr s VAL 103 Cb 0.05 -4.75 -0.14 0.00 0.00 0.00 0.00 36.38 31.55 1zqr s VAL 103 CO 0.17 -1.47 1.86 -0.24 0.00 0.00 0.00 175.10 175.42 1zqr n SER 104 N 8.47 2.73 0.00 3.32 2.88 -1.26 0.40 113.62 130.16 1zqr n SER 104 Ca 0.04 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1zqr n SER 104 Cb 0.48 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1zqr n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1zqr n GLY 105 N 4.63 1.43 3.66 0.46 0.00 -1.26 -3.95 105.19 110.15 1zqr n GLY 105 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1zqr n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zqr s ILE 106 N -1.63 4.80 0.28 -0.61 1.01 1.32 -4.81 121.20 121.56 1zqr s ILE 106 Ca 0.00 1.74 0.10 0.00 0.00 0.00 0.00 60.65 62.49 1zqr s ILE 106 Cb 0.00 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1zqr s ILE 106 CO 0.00 -0.08 -0.05 -0.83 0.00 0.00 0.00 174.94 173.98 1zqr s GLY 107 N 1.25 1.74 0.26 6.18 0.00 -1.26 -4.66 107.32 110.82 1zqr s GLY 107 Ca 0.39 -1.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.34 1zqr s GLY 107 CO 0.09 -1.79 1.65 -2.55 0.00 0.00 0.00 173.10 170.50 1zqr h PRO 108 N 1.97 0.18 0.44 2.90 0.11 -1.94 -0.77 132.00 134.89 1zqr h PRO 108 Ca -0.43 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1zqr h PRO 108 Cb 1.25 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1zqr h PRO 108 CO 0.61 0.12 -0.48 1.03 -0.21 0.00 0.00 178.00 179.07 1zqr h SER 109 N 0.19 -1.33 -0.56 -2.05 0.87 -1.97 0.17 113.55 108.87 1zqr h SER 109 Ca 0.46 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 61.08 1zqr h SER 109 Cb 0.84 0.45 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 1zqr h SER 109 CO -0.61 -0.63 0.20 0.00 -0.53 0.00 0.00 176.83 175.26 1zqr h ALA 110 N -0.72 1.22 -0.51 6.23 0.00 -1.88 -0.18 119.26 123.43 1zqr h ALA 110 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1zqr h ALA 110 Cb 0.83 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1zqr h ALA 110 CO -0.09 0.56 0.32 0.00 0.00 0.00 0.00 179.25 180.04 1zqr h ALA 111 N 1.34 1.62 -0.06 0.00 0.00 -0.73 0.56 119.26 121.98 1zqr h ALA 111 Ca 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1zqr h ALA 111 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1zqr h ALA 111 CO -0.01 0.35 -0.21 0.00 0.00 0.00 0.00 179.25 179.37 1zqr h ARG 112 N 0.69 0.25 0.32 0.00 3.08 -0.20 -2.49 114.38 116.03 1zqr h ARG 112 Ca 0.18 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1zqr h ARG 112 Cb -0.06 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1zqr h ARG 112 CO -0.04 0.82 -0.37 -0.22 -1.07 0.00 0.00 179.97 179.10 1zqr h LYS 113 N -0.27 -0.70 -0.97 0.04 3.64 -0.03 -1.25 116.57 117.03 1zqr h LYS 113 Ca -0.01 0.05 0.21 0.00 -1.27 0.00 0.00 60.65 59.63 1zqr h LYS 113 Cb 0.85 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.74 1zqr h LYS 113 CO 0.04 -0.47 0.62 0.74 -2.27 0.00 0.00 179.45 178.12 1zqr h PHE 114 N -0.73 0.75 -0.41 1.91 0.04 0.02 -1.92 116.94 116.60 1zqr h PHE 114 Ca -0.02 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1zqr h PHE 114 Cb 0.67 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1zqr h PHE 114 CO -0.23 0.16 0.06 0.28 -0.60 0.00 0.00 178.31 177.98 1zqr h VAL 115 N 0.53 1.24 0.00 -0.55 2.07 -0.84 0.41 116.25 119.11 1zqr h VAL 115 Ca 0.53 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1zqr h VAL 115 Cb 1.15 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1zqr h VAL 115 CO -0.27 0.30 -0.22 0.44 0.02 0.00 0.00 177.57 177.85 1zqr h ASP 116 N 0.53 0.00 0.57 0.57 3.32 -0.49 0.61 116.42 121.52 1zqr h ASP 116 Ca 0.12 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1zqr h ASP 116 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1zqr h ASP 116 CO 0.01 0.22 -0.47 -0.33 -1.72 0.00 0.00 179.24 176.95 1zqr h GLU 117 N 0.00 0.00 0.00 3.56 5.08 -1.05 -3.47 114.58 118.71 1zqr h GLU 117 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1zqr h GLU 117 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1zqr h GLU 117 CO 0.03 0.47 0.00 0.41 -1.00 0.00 0.00 179.01 178.92 1zqr n GLY 118 N -0.03 0.90 3.55 -3.84 0.00 0.20 -5.04 105.19 100.93 1zqr n GLY 118 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1zqr n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zqr s ILE 119 N -2.00 3.51 -0.17 -0.61 -1.09 0.13 -4.78 121.20 116.19 1zqr s ILE 119 Ca 0.00 0.15 -0.10 0.00 -2.23 0.00 0.00 60.65 58.48 1zqr s ILE 119 Cb 0.00 -4.31 -0.08 0.00 -1.58 0.00 0.00 42.46 36.49 1zqr s ILE 119 CO 0.00 -1.27 -0.24 0.29 -1.23 0.00 0.00 174.94 172.49 1zqr n LYS 120 N 9.20 0.39 0.00 2.79 5.02 -1.26 -3.73 118.16 130.57 1zqr n LYS 120 Ca 0.18 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1zqr n LYS 120 Cb 0.51 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1zqr n LYS 120 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1zqr n THR 121 N -3.87 0.00 -0.05 -0.18 5.66 -1.26 -4.66 114.28 109.91 1zqr n THR 121 Ca -0.33 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.57 1zqr n THR 121 Cb 0.71 -1.50 -0.09 0.00 -1.55 0.00 0.00 70.33 67.90 1zqr n THR 121 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1zqr h LEU 122 N 0.00 -0.01 -0.30 1.09 6.46 -1.98 -2.43 115.31 118.13 1zqr h LEU 122 Ca 0.00 -0.66 0.01 0.00 -0.12 0.00 0.00 57.88 57.11 1zqr h LEU 122 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1zqr h LEU 122 CO 0.00 0.80 0.18 -0.33 -0.62 0.00 0.00 178.44 178.48 1zqr h GLU 123 N -0.98 0.37 -0.96 1.25 5.08 -1.99 0.25 114.58 117.60 1zqr h GLU 123 Ca -0.00 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1zqr h GLU 123 Cb 0.67 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 1zqr h GLU 123 CO 0.00 0.24 0.61 -0.44 -1.00 0.00 0.00 179.01 178.43 1zqr h ASP 124 N 0.38 0.90 -0.41 1.42 3.32 -1.94 0.71 116.42 120.80 1zqr h ASP 124 Ca 0.12 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1zqr h ASP 124 Cb -0.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1zqr h ASP 124 CO -0.05 0.52 0.23 -0.07 -1.72 0.00 0.00 179.24 178.15 1zqr h LEU 125 N 0.99 0.52 0.91 1.55 3.38 -0.10 -3.16 115.31 119.39 1zqr h LEU 125 Ca 0.45 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1zqr h LEU 125 Cb 0.40 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1zqr h LEU 125 CO -0.21 0.45 -0.44 0.03 0.09 0.00 0.00 178.44 178.36 1zqr h ARG 126 N 0.54 -1.18 0.00 1.13 3.08 0.12 -2.59 114.38 115.48 1zqr h ARG 126 Ca 0.15 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1zqr h ARG 126 Cb 0.05 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1zqr h ARG 126 CO -0.02 -0.79 0.52 1.63 -1.07 0.00 0.00 179.97 180.23 1zqr n LYS 127 N -5.45 0.01 -3.02 0.04 4.76 -0.10 0.35 118.16 114.75 1zqr n LYS 127 Ca -0.15 0.19 -0.15 0.00 -2.87 0.00 0.00 58.31 55.33 1zqr n LYS 127 Cb 0.48 -2.04 -0.01 0.00 -1.84 0.00 0.00 35.03 31.63 1zqr n LYS 127 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1zqr n ASN 128 N -1.29 0.89 0.32 4.39 5.03 -0.98 -4.84 115.26 118.78 1zqr n ASN 128 Ca -0.00 -2.93 0.21 0.00 0.87 0.00 0.00 54.58 52.73 1zqr n ASN 128 Cb 0.52 -0.51 1.12 0.00 -1.02 0.00 0.00 39.78 39.89 1zqr n ASN 128 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1zqr h GLU 129 N 2.99 0.00 -0.13 3.52 4.81 -0.06 -0.05 114.58 125.66 1zqr h GLU 129 Ca 0.03 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1zqr h GLU 129 Cb 1.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1zqr h GLU 129 CO 0.48 0.00 -0.39 0.38 -0.73 0.00 0.00 179.01 178.75 1zqr h ASP 130 N 0.00 0.28 0.57 1.04 2.03 -1.88 -3.00 116.42 115.47 1zqr h ASP 130 Ca 0.00 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1zqr h ASP 130 Cb 0.04 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1zqr h ASP 130 CO 0.00 0.65 0.00 0.11 -1.03 0.00 0.00 179.24 178.97 1zqr h LYS 131 N 0.23 0.00 -6.08 4.15 1.57 -1.36 -3.45 116.57 111.63 1zqr h LYS 131 Ca 0.02 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.26 1zqr h LYS 131 Cb 0.79 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1zqr h LYS 131 CO 0.06 0.00 -0.44 -0.51 -0.57 0.00 0.00 179.45 178.00 1zqr s LEU 132 N -4.92 4.31 0.00 2.94 1.43 -1.13 -5.13 118.68 116.18 1zqr s LEU 132 Ca 0.02 0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1zqr s LEU 132 Cb 0.09 -2.98 0.17 0.00 0.03 0.00 0.00 46.19 43.49 1zqr s LEU 132 CO 0.38 0.04 1.09 -0.46 0.23 0.00 0.00 176.35 177.63 1zqr n ASN 133 N -0.48 1.04 -0.01 2.29 6.94 -1.26 -4.77 115.26 119.01 1zqr n ASN 133 Ca -0.06 -1.98 -0.14 0.00 -0.02 0.00 0.00 54.58 52.38 1zqr n ASN 133 Cb 0.54 -0.75 -0.08 0.00 -2.36 0.00 0.00 39.78 37.13 1zqr n ASN 133 CO 0.00 0.00 0.00 -0.74 -1.03 0.00 0.00 177.26 175.49 1zqr h HIS 134 N -0.91 -1.46 0.00 -2.53 -0.00 -1.97 0.65 115.15 108.93 1zqr h HIS 134 Ca -0.36 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 1zqr h HIS 134 Cb 1.22 0.66 0.00 0.00 -0.00 0.00 0.00 27.41 29.29 1zqr h HIS 134 CO 0.00 -0.52 0.00 1.58 -0.00 0.00 0.00 177.93 178.99 1zqr n HIS 135 N -5.44 0.00 -0.47 5.26 -0.00 -1.26 0.14 115.22 113.45 1zqr n HIS 135 Ca -0.05 0.00 0.40 0.00 -0.00 0.00 0.00 57.72 58.07 1zqr n HIS 135 Cb 0.38 -0.09 0.73 0.00 -0.00 0.00 0.00 29.99 31.01 1zqr n HIS 135 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1zqr h GLN 136 N 0.00 0.05 0.25 1.57 4.20 -1.66 1.70 115.11 121.22 1zqr h GLN 136 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1zqr h GLN 136 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1zqr h GLN 136 CO 0.00 0.04 -0.12 0.00 -0.67 0.00 0.00 178.83 178.08 1zqr h ARG 137 N 0.06 -0.32 -0.59 1.46 3.08 0.48 0.82 114.38 119.37 1zqr h ARG 137 Ca 0.74 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.93 1zqr h ARG 137 Cb 2.73 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 32.75 1zqr h ARG 137 CO -0.12 0.01 -0.06 0.82 -1.07 0.00 0.00 179.97 179.55 1zqr h ILE 138 N -0.71 0.47 -0.66 2.04 2.04 1.13 0.69 117.51 122.52 1zqr h ILE 138 Ca -0.03 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1zqr h ILE 138 Cb 0.48 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1zqr h ILE 138 CO 0.06 0.01 0.38 1.23 0.00 0.00 0.00 178.15 179.83 1zqr h GLY 139 N 0.06 0.96 0.93 5.37 0.00 -1.00 0.13 103.07 109.52 1zqr h GLY 139 Ca 0.30 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1zqr h GLY 139 CO -0.55 0.19 0.61 -2.00 0.00 0.00 0.00 176.54 174.80 1zqr h LEU 140 N 0.72 1.00 -0.43 3.11 5.85 0.28 -1.18 115.31 124.67 1zqr h LEU 140 Ca 0.28 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1zqr h LEU 140 Cb 0.12 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1zqr h LEU 140 CO -0.15 0.68 0.03 0.50 -0.34 0.00 0.00 178.44 179.16 1zqr h LYS 141 N 1.16 0.74 -1.15 1.25 3.64 0.65 -3.30 116.57 119.56 1zqr h LYS 141 Ca 0.38 -0.22 -0.62 0.00 -1.27 0.00 0.00 60.65 58.91 1zqr h LYS 141 Cb 0.04 -0.08 -0.37 0.00 -0.41 0.00 0.00 32.23 31.42 1zqr h LYS 141 CO -0.12 0.80 -0.10 0.66 -2.27 0.00 0.00 179.45 178.42 1zqr n TYR 142 N -4.44 3.05 -0.02 1.91 4.01 0.29 -4.79 117.16 117.17 1zqr n TYR 142 Ca -0.00 -2.63 -0.12 0.00 -0.16 0.00 0.00 57.90 54.99 1zqr n TYR 142 Cb 0.27 -0.70 -0.07 0.00 -0.31 0.00 0.00 39.34 38.54 1zqr n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1zqr h PHE 143 N 2.33 0.14 0.60 -0.72 3.57 -1.32 -0.67 116.94 120.87 1zqr h PHE 143 Ca 0.45 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 1zqr h PHE 143 Cb 1.01 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1zqr h PHE 143 CO 1.04 0.32 -0.30 0.78 -2.23 0.00 0.00 178.31 177.93 1zqr h GLY 144 N -0.08 -0.87 0.93 2.40 0.00 -1.88 -2.29 103.07 101.28 1zqr h GLY 144 Ca 0.03 0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.72 1zqr h GLY 144 CO 0.00 -0.32 0.65 -0.55 0.00 0.00 0.00 176.54 176.32 1zqr h ASP 145 N -0.83 1.08 -0.86 0.19 3.32 -1.86 -2.77 116.42 114.69 1zqr h ASP 145 Ca -0.08 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.10 1zqr h ASP 145 Cb 0.64 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 39.84 1zqr h ASP 145 CO 0.13 0.75 0.45 -0.26 -1.72 0.00 0.00 179.24 178.59 1zqr h PHE 146 N 1.26 0.80 0.00 4.55 -1.00 -0.91 -1.22 116.94 120.42 1zqr h PHE 146 Ca 0.39 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.20 1zqr h PHE 146 Cb -0.02 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.31 1zqr h PHE 146 CO -0.00 0.19 -0.12 0.93 -1.61 0.00 0.00 178.31 177.70 1zqr h GLU 147 N 0.64 0.00 -7.21 1.51 5.08 -1.15 -3.47 114.58 109.98 1zqr h GLU 147 Ca 0.47 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.32 1zqr h GLU 147 Cb 0.67 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.05 1zqr h GLU 147 CO -0.36 0.00 0.36 0.15 -1.00 0.00 0.00 179.01 178.16 1zqr s LYS 148 N -3.21 2.46 0.59 2.33 1.02 -0.46 -5.05 119.74 117.42 1zqr s LYS 148 Ca 0.07 1.48 -0.06 0.00 0.02 0.00 0.00 55.97 57.47 1zqr s LYS 148 Cb 0.07 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1zqr s LYS 148 CO 0.67 -1.53 0.91 1.03 -0.92 0.00 0.00 175.35 175.51 1zqr s ARG 149 N -4.16 2.99 -0.44 1.68 1.81 -1.26 -4.88 118.95 114.69 1zqr s ARG 149 Ca 0.68 0.08 -0.05 0.00 -1.72 0.00 0.00 55.73 54.72 1zqr s ARG 149 Cb -0.23 -2.25 0.12 0.00 -0.45 0.00 0.00 34.95 32.14 1zqr s ARG 149 CO 0.45 -0.68 0.27 0.42 -0.68 0.00 0.00 175.30 175.08 1zqr s ILE 150 N -3.01 3.66 0.17 1.52 1.01 1.34 -4.91 121.20 120.98 1zqr s ILE 150 Ca 0.54 -2.00 -0.33 0.00 0.00 0.00 0.00 60.65 58.86 1zqr s ILE 150 Cb -0.11 -3.46 -0.13 0.00 0.01 0.00 0.00 42.46 38.77 1zqr s ILE 150 CO 0.46 -0.73 1.63 -0.81 0.00 0.00 0.00 174.94 175.49 1zqr n PRO 151 N 4.66 2.37 -0.25 2.79 -0.04 -1.26 -0.40 135.00 142.87 1zqr n PRO 151 Ca -0.04 0.85 0.26 0.00 -0.04 0.00 0.00 63.50 64.53 1zqr n PRO 151 Cb 0.41 -2.65 0.62 0.00 -0.04 0.00 0.00 33.50 31.84 1zqr n PRO 151 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1zqr h ARG 152 N 6.30 0.19 -0.42 0.54 2.43 -1.77 0.63 114.38 122.29 1zqr h ARG 152 Ca -0.44 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.79 1zqr h ARG 152 Cb 1.24 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.65 1zqr h ARG 152 CO 0.91 0.13 -0.43 0.93 -1.51 0.00 0.00 179.97 180.00 1zqr h GLU 153 N 0.20 -0.31 -0.77 0.20 4.39 -1.87 0.78 114.58 117.20 1zqr h GLU 153 Ca 0.49 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 60.16 1zqr h GLU 153 Cb 1.59 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.28 1zqr h GLU 153 CO -0.12 -0.20 0.26 0.93 -1.16 0.00 0.00 179.01 178.72 1zqr h GLU 154 N -0.32 1.18 -0.03 2.33 5.08 -0.14 -2.45 114.58 120.24 1zqr h GLU 154 Ca 0.14 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1zqr h GLU 154 Cb 0.58 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1zqr h GLU 154 CO -0.58 0.98 0.07 0.52 -1.00 0.00 0.00 179.01 179.01 1zqr h MET 155 N 1.13 0.00 0.04 2.33 2.86 0.76 0.42 114.93 122.48 1zqr h MET 155 Ca 0.25 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1zqr h MET 155 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1zqr h MET 155 CO -0.01 0.00 -0.02 -0.07 1.06 0.00 0.00 176.91 177.87 1zqr h LEU 156 N 0.00 -0.04 0.17 1.22 3.38 0.87 -2.73 115.31 118.19 1zqr h LEU 156 Ca 0.01 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1zqr h LEU 156 Cb 0.16 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1zqr h LEU 156 CO -0.00 0.71 -0.08 0.06 0.09 0.00 0.00 178.44 179.22 1zqr h GLN 157 N -0.90 -0.23 -0.19 1.13 3.07 -0.59 -2.88 115.11 114.52 1zqr h GLN 157 Ca -0.01 0.02 0.03 0.00 0.09 0.00 0.00 58.65 58.78 1zqr h GLN 157 Cb 0.68 0.05 -0.06 0.00 0.08 0.00 0.00 27.48 28.23 1zqr h GLN 157 CO 0.01 -0.13 -0.44 0.52 0.09 0.00 0.00 178.83 178.88 1zqr h MET 158 N -0.26 -0.39 -1.03 0.06 2.86 -0.41 -1.60 114.93 114.17 1zqr h MET 158 Ca -0.02 0.03 0.26 0.00 -2.06 0.00 0.00 59.70 57.90 1zqr h MET 158 Cb 0.20 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.85 1zqr h MET 158 CO 0.04 -0.26 0.66 0.37 1.06 0.00 0.00 176.91 178.78 1zqr h GLN 159 N -0.41 0.41 0.00 1.72 4.15 -1.50 -2.26 115.11 117.23 1zqr h GLN 159 Ca 0.04 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1zqr h GLN 159 Cb 0.51 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1zqr h GLN 159 CO -0.40 0.27 -0.01 0.22 -1.93 0.00 0.00 178.83 176.99 1zqr h ASP 160 N 0.43 -0.02 -0.57 -0.69 3.58 -1.07 -0.06 116.42 118.01 1zqr h ASP 160 Ca 0.59 0.00 0.05 0.00 0.42 0.00 0.00 57.03 58.09 1zqr h ASP 160 Cb 1.43 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 42.41 1zqr h ASP 160 CO -0.30 -0.01 -0.41 0.40 -2.88 0.00 0.00 179.24 176.04 1zqr h ILE 161 N -0.01 0.00 -0.90 2.25 2.04 -1.14 -1.91 117.51 117.83 1zqr h ILE 161 Ca -0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1zqr h ILE 161 Cb 0.01 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.98 1zqr h ILE 161 CO -0.00 0.00 0.47 0.58 0.00 0.00 0.00 178.15 179.20 1zqr h VAL 162 N -0.10 0.64 0.00 1.67 2.07 -1.39 0.23 116.25 119.37 1zqr h VAL 162 Ca 0.09 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1zqr h VAL 162 Cb 0.34 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1zqr h VAL 162 CO -0.59 0.11 -0.26 -0.07 0.02 0.00 0.00 177.57 176.78 1zqr h LEU 163 N 0.59 0.00 0.51 2.57 3.38 -0.24 -2.73 115.31 119.38 1zqr h LEU 163 Ca 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 1zqr h LEU 163 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1zqr h LEU 163 CO -0.42 0.26 -0.40 0.78 0.09 0.00 0.00 178.44 178.75 1zqr h ASN 164 N 0.00 -1.07 -0.23 -0.43 2.35 0.05 0.64 115.58 116.88 1zqr h ASN 164 Ca -0.00 0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.66 1zqr h ASN 164 Cb 0.86 0.34 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 1zqr h ASN 164 CO 0.03 -0.59 -0.47 -0.33 -1.65 0.00 0.00 177.43 174.43 1zqr h GLU 165 N -0.90 0.80 -0.40 0.81 4.39 -1.48 0.37 114.58 118.18 1zqr h GLU 165 Ca -0.06 -0.46 0.08 0.00 0.34 0.00 0.00 59.36 59.27 1zqr h GLU 165 Cb 0.77 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.36 1zqr h GLU 165 CO -0.00 1.10 -0.23 0.28 -1.16 0.00 0.00 179.01 179.00 1zqr h VAL 166 N 0.64 0.37 -0.29 3.13 2.07 -1.39 0.93 116.25 121.71 1zqr h VAL 166 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1zqr h VAL 166 Cb 1.05 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1zqr h VAL 166 CO 0.10 0.00 0.17 0.50 0.02 0.00 0.00 177.57 178.36 1zqr h LYS 167 N -0.16 0.34 -0.20 1.57 3.64 -0.66 -2.60 116.57 118.51 1zqr h LYS 167 Ca 0.19 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1zqr h LYS 167 Cb 0.46 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.13 1zqr h LYS 167 CO -0.49 0.23 -0.28 1.57 -2.27 0.00 0.00 179.45 178.20 1zqr h LYS 168 N 0.35 -0.31 0.10 1.90 2.10 0.16 -3.01 116.57 117.87 1zqr h LYS 168 Ca 0.11 0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1zqr h LYS 168 Cb -0.01 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1zqr h LYS 168 CO -0.05 -0.21 -0.10 -0.24 -2.00 0.00 0.00 179.45 176.86 1zqr h VAL 169 N -0.32 0.00 -3.65 0.07 3.04 0.91 -3.43 116.25 112.86 1zqr h VAL 169 Ca 0.12 0.00 -0.40 0.00 -1.01 0.00 0.00 66.70 65.41 1zqr h VAL 169 Cb 0.50 0.00 -0.32 0.00 -2.01 0.00 0.00 31.29 29.47 1zqr h VAL 169 CO -0.38 0.00 -0.77 -0.62 -1.01 0.00 0.00 177.57 174.79 1zqr s ASP 170 N -2.62 0.96 0.21 3.17 -1.08 -0.99 -5.02 116.67 111.30 1zqr s ASP 170 Ca -0.03 -0.14 0.25 0.00 -0.52 0.00 0.00 52.55 52.10 1zqr s ASP 170 Cb 0.01 -0.35 0.89 0.00 -1.46 0.00 0.00 42.92 42.02 1zqr s ASP 170 CO 0.11 0.01 1.75 -0.24 0.52 0.00 0.00 175.17 177.32 1zqr n SER 171 N 3.61 0.69 0.00 -0.34 2.88 -1.17 -3.35 113.62 115.94 1zqr n SER 171 Ca -0.21 0.60 0.14 0.00 -1.33 0.00 0.00 58.87 58.08 1zqr n SER 171 Cb 0.53 -0.78 0.79 0.00 -0.75 0.00 0.00 64.21 64.00 1zqr n SER 171 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1zqr n GLU 172 N -2.19 0.66 -2.66 -1.46 4.07 -1.26 -4.90 120.64 112.90 1zqr n GLU 172 Ca 0.04 0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.74 1zqr n GLU 172 Cb 0.34 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.18 1zqr n GLU 172 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1zqr s TYR 173 N -2.28 3.70 -0.32 4.31 2.02 -1.21 -4.32 117.35 119.24 1zqr s TYR 173 Ca 0.35 1.69 0.04 0.00 -0.37 0.00 0.00 57.07 58.78 1zqr s TYR 173 Cb 0.19 -3.14 0.09 0.00 -0.40 0.00 0.00 41.96 38.70 1zqr s TYR 173 CO 0.38 -0.13 0.02 0.42 -1.57 0.00 0.00 175.55 174.67 1zqr s ILE 174 N 0.36 2.21 -0.05 2.71 1.01 -0.87 -4.90 121.20 121.67 1zqr s ILE 174 Ca 0.50 -2.18 0.01 0.00 0.00 0.00 0.00 60.65 58.97 1zqr s ILE 174 Cb -0.24 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1zqr s ILE 174 CO 0.30 -0.49 -0.04 0.00 0.00 0.00 0.00 174.94 174.70 1zqr s ALA 175 N 0.96 3.09 -0.11 9.38 0.00 -1.26 -1.84 121.76 131.99 1zqr s ALA 175 Ca 0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1zqr s ALA 175 Cb -0.19 -1.28 0.04 0.00 0.00 0.00 0.00 23.12 21.68 1zqr s ALA 175 CO -0.08 0.59 0.28 0.99 0.00 0.00 0.00 175.76 177.54 1zqr s THR 176 N -0.89 -0.02 -0.49 0.00 2.01 -0.76 -4.97 115.64 110.52 1zqr s THR 176 Ca 0.14 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 1zqr s THR 176 Cb -0.11 -0.40 0.07 0.00 0.01 0.00 0.00 72.50 72.07 1zqr s THR 176 CO 0.04 0.02 0.48 -0.69 -0.69 0.00 0.00 174.62 173.78 1zqr s VAL 177 N 0.62 5.12 0.84 3.82 1.01 -1.26 0.52 120.40 131.06 1zqr s VAL 177 Ca -0.04 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1zqr s VAL 177 Cb -0.05 -4.20 0.16 0.00 0.00 0.00 0.00 36.38 32.28 1zqr s VAL 177 CO -0.04 -0.68 1.15 0.00 0.00 0.00 0.00 175.10 175.54 1zqr n GLY 179 N -3.29 -1.72 0.48 0.00 0.00 -1.15 -4.39 105.19 95.11 1zqr n GLY 179 Ca 0.15 -1.64 0.30 0.00 0.00 0.00 0.00 46.02 44.83 1zqr n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1zqr h SER 180 N 0.00 0.00 0.27 1.61 4.64 -1.86 -1.80 113.55 116.42 1zqr h SER 180 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1zqr h SER 180 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1zqr h SER 180 CO 0.00 0.00 -0.13 0.15 -0.87 0.00 0.00 176.83 175.98 1zqr h PHE 181 N 0.00 -0.34 -0.54 4.77 3.57 -1.87 0.13 116.94 122.65 1zqr h PHE 181 Ca 0.44 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.04 1zqr h PHE 181 Cb 1.83 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.66 1zqr h PHE 181 CO 0.00 -0.10 0.37 -0.09 -2.23 0.00 0.00 178.31 176.26 1zqr h ARG 182 N -0.53 0.28 -0.64 1.11 9.65 -1.48 0.84 114.38 123.62 1zqr h ARG 182 Ca -0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1zqr h ARG 182 Cb 0.39 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1zqr h ARG 182 CO 0.06 0.19 0.00 0.54 2.80 0.00 0.00 179.97 183.56 1zqr n ARG 183 N -4.46 2.54 0.00 0.20 1.74 -1.09 -4.40 116.66 111.19 1zqr n ARG 183 Ca 0.09 -1.48 0.00 0.00 -0.77 0.00 0.00 57.85 55.69 1zqr n ARG 183 Cb 0.40 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1zqr n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zqr n GLY 184 N 0.60 2.91 1.95 -0.13 0.00 0.29 -4.45 105.19 106.36 1zqr n GLY 184 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1zqr n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zqr n ALA 185 N -1.11 -2.24 0.43 4.61 0.00 0.42 -4.82 120.51 117.80 1zqr n ALA 185 Ca 0.00 0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.88 1zqr n ALA 185 Cb 0.00 -0.97 0.48 0.00 0.00 0.00 0.00 19.45 18.96 1zqr n ALA 185 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1zqr n GLU 186 N 0.80 0.21 -3.68 0.00 -0.58 -1.26 -4.69 120.64 111.44 1zqr n GLU 186 Ca 0.11 0.40 -0.14 0.00 -0.42 0.00 0.00 57.16 57.11 1zqr n GLU 186 Cb 0.06 -1.87 -0.07 0.00 -0.57 0.00 0.00 31.44 28.98 1zqr n GLU 186 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1zqr s SER 187 N -4.30 -0.32 0.33 1.62 1.04 -1.26 -2.57 113.70 108.23 1zqr s SER 187 Ca 0.05 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.72 1zqr s SER 187 Cb 0.10 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 1zqr s SER 187 CO 0.42 -0.54 0.10 -0.44 0.98 0.00 0.00 173.24 173.76 1zqr s SER 188 N -1.46 2.08 -0.01 7.02 0.01 0.46 -4.84 113.70 116.97 1zqr s SER 188 Ca -0.11 -1.48 0.12 0.00 1.31 0.00 0.00 55.95 55.78 1zqr s SER 188 Cb -0.03 0.20 -0.16 0.00 0.21 0.00 0.00 66.02 66.24 1zqr s SER 188 CO 0.04 -0.76 0.34 0.61 0.41 0.00 0.00 173.24 173.88 1zqr n GLY 189 N -0.68 -0.38 3.65 3.44 0.00 -1.26 0.41 105.19 110.36 1zqr n GLY 189 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1zqr n GLY 189 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zqr s ASP 190 N -2.91 -0.02 0.10 1.61 -4.77 -1.26 -4.71 116.67 104.70 1zqr s ASP 190 Ca -0.01 0.02 -0.17 0.00 -3.30 0.00 0.00 52.55 49.08 1zqr s ASP 190 Cb 0.08 0.02 -0.07 0.00 -1.09 0.00 0.00 42.92 41.86 1zqr s ASP 190 CO 0.49 -0.02 0.55 0.00 0.70 0.00 0.00 175.17 176.89 1zqr s MET 191 N -1.14 4.10 -0.23 2.11 0.23 -1.25 -5.02 119.30 118.11 1zqr s MET 191 Ca 0.10 0.63 -0.04 0.00 -1.03 0.00 0.00 55.69 55.35 1zqr s MET 191 Cb -0.01 -3.12 -0.00 0.00 -1.53 0.00 0.00 34.83 30.17 1zqr s MET 191 CO -0.08 0.58 -0.04 0.34 -2.03 0.00 0.00 175.02 173.80 1zqr s ASP 192 N -1.34 4.35 -0.35 -1.18 2.15 -1.26 -3.06 116.67 115.98 1zqr s ASP 192 Ca 0.32 -0.48 -0.05 0.00 0.43 0.00 0.00 52.55 52.77 1zqr s ASP 192 Cb -0.18 -1.74 0.06 0.00 -0.30 0.00 0.00 42.92 40.77 1zqr s ASP 192 CO 0.19 -0.05 0.11 -0.69 -0.17 0.00 0.00 175.17 174.56 1zqr s VAL 193 N 1.46 3.53 -0.08 1.11 1.01 0.25 -2.58 120.40 125.10 1zqr s VAL 193 Ca 0.05 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 1zqr s VAL 193 Cb -0.15 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1zqr s VAL 193 CO -0.03 -0.29 1.46 -0.76 0.00 0.00 0.00 175.10 175.48 1zqr s LEU 194 N 1.32 4.27 0.01 3.92 1.02 0.18 -1.89 118.68 127.52 1zqr s LEU 194 Ca -0.00 2.02 0.07 0.00 0.02 0.00 0.00 54.13 56.24 1zqr s LEU 194 Cb -0.21 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.44 1zqr s LEU 194 CO 0.00 -0.82 -0.21 -0.22 0.02 0.00 0.00 176.35 175.13 1zqr s LEU 195 N 3.46 2.10 0.20 1.79 2.96 0.38 -1.83 118.68 127.73 1zqr s LEU 195 Ca 0.65 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.97 1zqr s LEU 195 Cb -0.29 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.38 1zqr s LEU 195 CO 0.24 0.21 0.44 0.28 -1.32 0.00 0.00 176.35 176.20 1zqr s THR 196 N -0.64 0.03 -0.18 3.68 -1.32 -0.76 -0.45 115.64 116.00 1zqr s THR 196 Ca 0.08 -1.13 -0.23 0.00 -1.21 0.00 0.00 61.69 59.19 1zqr s THR 196 Cb -0.08 -1.82 0.06 0.00 -1.51 0.00 0.00 72.50 69.14 1zqr s THR 196 CO 0.00 -0.15 0.62 -2.28 -2.21 0.00 0.00 174.62 170.61 1zqr s HIS 197 N -3.94 -0.65 0.28 9.09 2.46 -1.25 -2.06 115.29 119.21 1zqr s HIS 197 Ca 0.15 1.46 0.01 0.00 0.47 0.00 0.00 55.06 57.15 1zqr s HIS 197 Cb 0.00 0.26 0.58 0.00 -0.13 0.00 0.00 32.58 33.30 1zqr s HIS 197 CO 0.01 -0.40 1.78 -1.00 -2.47 0.00 0.00 174.74 172.67 1zqr h PRO 198 N 4.58 0.72 0.00 2.88 0.13 -1.94 -0.17 132.00 138.19 1zqr h PRO 198 Ca -0.28 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1zqr h PRO 198 Cb 1.16 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1zqr h PRO 198 CO 0.19 0.47 0.00 0.45 -0.23 0.00 0.00 178.00 178.89 1zqr n SER 199 N -4.79 0.00 -3.63 1.44 2.88 -1.26 -4.50 113.62 103.76 1zqr n SER 199 Ca 0.19 -0.66 -0.19 0.00 -1.33 0.00 0.00 58.87 56.88 1zqr n SER 199 Cb 0.45 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.75 1zqr n SER 199 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1zqr s PHE 200 N -2.00 -0.09 0.08 0.66 5.36 -0.08 -4.91 117.98 117.01 1zqr s PHE 200 Ca 0.06 0.33 -0.26 0.00 -0.96 0.00 0.00 56.93 56.11 1zqr s PHE 200 Cb 0.03 -0.39 0.08 0.00 -0.34 0.00 0.00 43.02 42.40 1zqr s PHE 200 CO 0.05 -0.35 0.66 -0.08 -1.46 0.00 0.00 175.22 174.04 1zqr s THR 201 N 2.25 0.00 0.00 0.12 -1.32 -1.26 0.13 115.64 115.57 1zqr s THR 201 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1zqr s THR 201 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1zqr s THR 201 CO -0.07 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.14 1zqr n SER 202 N -0.00 0.00 -0.08 8.08 7.64 -1.26 -1.30 113.62 126.69 1zqr n SER 202 Ca -0.16 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.62 1zqr n SER 202 Cb 0.62 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1zqr n SER 202 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1zqr n GLU 203 N 0.00 0.49 -1.22 1.43 4.71 -1.26 -4.90 120.64 119.89 1zqr n GLU 203 Ca 0.00 0.47 -0.15 0.00 -0.01 0.00 0.00 57.16 57.47 1zqr n GLU 203 Cb 0.00 -1.65 -0.16 0.00 -1.01 0.00 0.00 31.44 28.62 1zqr n GLU 203 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1zqr n SER 204 N -4.54 -1.40 -2.87 1.62 3.41 -0.42 -4.46 113.62 104.96 1zqr n SER 204 Ca -0.15 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1zqr n SER 204 Cb 0.42 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1zqr n SER 204 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1zqr n THR 205 N 4.65 0.00 -1.10 6.66 5.66 -1.26 -4.26 114.28 124.63 1zqr n THR 205 Ca 0.47 -0.11 0.15 0.00 -3.05 0.00 0.00 64.05 61.51 1zqr n THR 205 Cb 0.19 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.93 1zqr n THR 205 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1zqr n LYS 206 N 2.19 -2.25 0.00 1.09 4.76 -1.26 -4.93 118.16 117.76 1zqr n LYS 206 Ca 0.00 1.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.97 1zqr n LYS 206 Cb 0.05 -2.73 0.00 0.00 -1.84 0.00 0.00 35.03 30.52 1zqr n LYS 206 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1zqr n GLN 207 N -3.55 0.00 -0.31 1.97 7.27 -1.26 -4.98 117.38 116.52 1zqr n GLN 207 Ca -0.00 0.00 0.23 0.00 0.07 0.00 0.00 57.00 57.30 1zqr n GLN 207 Cb 0.50 0.00 0.53 0.00 2.41 0.00 0.00 30.24 33.68 1zqr n GLN 207 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1zqr h PRO 208 N 0.00 0.36 -0.88 3.69 0.13 -1.92 0.71 132.00 134.09 1zqr h PRO 208 Ca 0.00 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 65.23 1zqr h PRO 208 Cb 0.00 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 30.98 1zqr h PRO 208 CO 0.00 0.24 0.57 0.87 -0.23 0.00 0.00 178.00 179.44 1zqr h LYS 209 N 0.37 0.74 -0.84 0.86 1.79 -1.96 -1.25 116.57 116.29 1zqr h LYS 209 Ca 0.56 -0.04 0.16 0.00 -2.18 0.00 0.00 60.65 59.15 1zqr h LYS 209 Cb 1.49 -0.17 -0.16 0.00 -1.58 0.00 0.00 32.23 31.81 1zqr h LYS 209 CO -0.25 0.49 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.32 1zqr h LEU 210 N 0.77 -0.83 -0.09 2.94 3.38 0.08 1.78 115.31 123.34 1zqr h LEU 210 Ca 0.43 0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.61 1zqr h LEU 210 Cb 0.57 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1zqr h LEU 210 CO -0.19 -0.28 -0.09 0.25 0.09 0.00 0.00 178.44 178.22 1zqr h LEU 211 N -0.01 0.23 -0.81 1.67 5.85 -1.41 -3.26 115.31 117.57 1zqr h LEU 211 Ca 0.39 -0.49 0.15 0.00 0.84 0.00 0.00 57.88 58.77 1zqr h LEU 211 Cb 0.61 -0.07 -0.15 0.00 0.37 0.00 0.00 40.66 41.43 1zqr h LEU 211 CO -0.86 0.68 -0.29 0.45 -0.34 0.00 0.00 178.44 178.08 1zqr h HIS 212 N -0.21 -0.73 -0.70 1.25 3.86 0.22 -2.79 115.15 116.04 1zqr h HIS 212 Ca 0.01 0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 1zqr h HIS 212 Cb 0.61 0.44 -0.10 0.00 1.06 0.00 0.00 27.41 29.43 1zqr h HIS 212 CO 0.09 -0.38 -0.57 1.96 0.86 0.00 0.00 177.93 179.89 1zqr h GLN 213 N -0.05 -0.19 -0.89 2.45 4.20 0.21 -2.29 115.11 118.56 1zqr h GLN 213 Ca 0.34 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 1zqr h GLN 213 Cb 0.59 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1zqr h GLN 213 CO -0.84 -0.13 0.48 -0.39 -0.67 0.00 0.00 178.83 177.28 1zqr h VAL 214 N -0.20 1.26 -0.46 -0.54 -1.51 -1.67 -1.29 116.25 111.84 1zqr h VAL 214 Ca 0.12 -0.65 -0.09 0.00 -1.23 0.00 0.00 66.70 64.85 1zqr h VAL 214 Cb 0.50 0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 1zqr h VAL 214 CO -0.76 0.29 -0.05 0.58 -1.23 0.00 0.00 177.57 176.40 1zqr h VAL 215 N 1.25 1.27 -0.63 7.19 2.07 -1.20 -2.23 116.25 123.98 1zqr h VAL 215 Ca 0.31 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1zqr h VAL 215 Cb 0.04 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1zqr h VAL 215 CO -0.05 0.39 0.39 -0.08 0.02 0.00 0.00 177.57 178.24 1zqr h GLU 216 N 0.68 0.74 -0.36 1.57 4.81 -1.24 -2.62 114.58 118.16 1zqr h GLU 216 Ca 0.12 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1zqr h GLU 216 Cb 0.57 -0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.70 1zqr h GLU 216 CO 0.03 0.49 -0.19 0.37 -0.73 0.00 0.00 179.01 178.98 1zqr h GLN 217 N 0.76 -0.13 -0.86 1.92 5.75 -0.67 0.71 115.11 122.58 1zqr h GLN 217 Ca 0.25 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.75 1zqr h GLN 217 Cb 0.03 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1zqr h GLN 217 CO -0.11 -0.09 0.47 -0.07 -2.65 0.00 0.00 178.83 176.39 1zqr h LEU 218 N -0.14 1.08 -0.14 -2.39 4.07 -1.21 -2.08 115.31 114.50 1zqr h LEU 218 Ca 0.18 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 1zqr h LEU 218 Cb 0.42 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 1zqr h LEU 218 CO -0.45 0.86 -0.07 1.56 -1.08 0.00 0.00 178.44 179.26 1zqr h GLN 219 N 1.21 0.30 -1.00 1.13 4.20 -1.07 0.16 115.11 120.04 1zqr h GLN 219 Ca 0.30 -0.13 0.22 0.00 0.06 0.00 0.00 58.65 59.10 1zqr h GLN 219 Cb 0.03 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.70 1zqr h GLN 219 CO -0.05 0.64 0.62 -0.22 -0.67 0.00 0.00 178.83 179.15 1zqr h LYS 220 N -0.04 0.55 -0.64 1.46 3.64 -0.64 1.06 116.57 121.97 1zqr h LYS 220 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zqr h LYS 220 Cb 0.55 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1zqr h LYS 220 CO 0.02 0.37 0.00 1.33 -2.27 0.00 0.00 179.45 178.90 1zqr n VAL 221 N -4.71 1.03 -0.97 2.00 0.24 -0.80 -4.97 118.33 110.15 1zqr n VAL 221 Ca 0.24 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1zqr n VAL 221 Cb 0.71 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1zqr n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1zqr n HIS 222 N 1.35 0.00 -0.10 6.34 8.25 0.37 -4.92 115.22 126.51 1zqr n HIS 222 Ca 0.21 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1zqr n HIS 222 Cb 0.59 -0.15 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1zqr n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1zqr h PHE 223 N 0.00 0.67 -3.39 4.41 3.57 -0.90 -3.43 116.94 117.88 1zqr h PHE 223 Ca 0.00 -0.16 -0.58 0.00 3.53 0.00 0.00 57.97 60.76 1zqr h PHE 223 Cb 0.04 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.53 1zqr h PHE 223 CO 0.02 0.81 0.04 0.42 -2.23 0.00 0.00 178.31 177.38 1zqr s ILE 224 N -4.67 5.07 0.00 1.41 1.01 -0.94 -1.53 121.20 121.56 1zqr s ILE 224 Ca -0.13 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1zqr s ILE 224 Cb 0.08 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1zqr s ILE 224 CO 0.79 0.19 0.00 0.35 0.00 0.00 0.00 174.94 176.27 1zqr n THR 225 N 4.25 0.00 -4.31 2.92 -2.24 -1.24 -4.47 114.28 109.19 1zqr n THR 225 Ca -0.03 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.54 1zqr n THR 225 Cb 0.51 0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 69.14 1zqr n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1zqr s ASP 226 N -1.84 1.45 -0.08 3.42 1.11 -1.26 -5.02 116.67 114.45 1zqr s ASP 226 Ca 0.00 -1.59 -0.02 0.00 0.18 0.00 0.00 52.55 51.12 1zqr s ASP 226 Cb 0.00 0.44 0.04 0.00 1.07 0.00 0.00 42.92 44.46 1zqr s ASP 226 CO 0.00 -0.93 0.04 -0.89 1.18 0.00 0.00 175.17 174.57 1zqr s THR 227 N -3.62 0.14 -0.06 -1.27 2.01 -1.26 -3.78 115.64 107.79 1zqr s THR 227 Ca 0.37 0.15 0.13 0.00 0.31 0.00 0.00 61.69 62.65 1zqr s THR 227 Cb 0.04 -0.43 -0.23 0.00 0.01 0.00 0.00 72.50 71.89 1zqr s THR 227 CO 0.19 0.12 0.59 0.18 -0.69 0.00 0.00 174.62 175.01 1zqr n LEU 228 N 5.22 0.79 0.00 4.42 4.32 -0.14 -4.86 117.00 126.75 1zqr n LEU 228 Ca -0.06 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1zqr n LEU 228 Cb 0.50 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 1zqr n LEU 228 CO 0.09 0.41 0.00 -1.54 -1.22 0.00 0.00 177.39 175.13 1zqr n SER 229 N -3.02 0.00 -4.25 -1.43 3.41 -0.91 -4.83 113.62 102.60 1zqr n SER 229 Ca -0.19 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.09 1zqr n SER 229 Cb 1.06 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.86 1zqr n SER 229 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1zqr s LYS 230 N 0.00 3.21 0.28 4.33 2.20 -1.26 -1.12 119.74 127.37 1zqr s LYS 230 Ca 0.00 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.88 1zqr s LYS 230 Cb 0.00 -2.66 -0.00 0.00 -1.51 0.00 0.00 37.83 33.65 1zqr s LYS 230 CO 0.00 -0.04 0.04 0.41 -0.36 0.00 0.00 175.35 175.40 1zqr n GLY 231 N 4.22 3.71 0.26 5.54 0.00 -1.00 -5.02 105.19 112.91 1zqr n GLY 231 Ca -0.19 -2.18 0.14 0.00 0.00 0.00 0.00 46.02 43.78 1zqr n GLY 231 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1zqr n GLU 232 N -0.66 1.02 0.00 1.61 0.28 -1.26 -4.19 120.64 117.44 1zqr n GLU 232 Ca -0.08 -0.53 0.00 0.00 -0.16 0.00 0.00 57.16 56.38 1zqr n GLU 232 Cb 0.38 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1zqr n GLU 232 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1zqr n THR 233 N -0.53 0.00 -3.27 3.84 -2.24 -1.26 -4.51 114.28 106.31 1zqr n THR 233 Ca 0.15 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.88 1zqr n THR 233 Cb 0.32 1.58 -0.05 0.00 -2.10 0.00 0.00 70.33 70.09 1zqr n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1zqr s LYS 234 N 0.00 0.44 0.30 -0.78 2.20 -1.26 -2.66 119.74 117.97 1zqr s LYS 234 Ca 0.00 0.55 0.03 0.00 -0.36 0.00 0.00 55.97 56.19 1zqr s LYS 234 Cb 0.00 -0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 1zqr s LYS 234 CO 0.00 -0.78 0.46 0.12 -0.36 0.00 0.00 175.35 174.79 1zqr s PHE 235 N 2.65 3.44 -0.28 4.03 2.19 -0.89 -2.38 117.98 126.73 1zqr s PHE 235 Ca 0.14 0.13 0.01 0.00 0.33 0.00 0.00 56.93 57.53 1zqr s PHE 235 Cb -0.14 -1.76 0.17 0.00 -1.31 0.00 0.00 43.02 39.97 1zqr s PHE 235 CO -0.22 0.25 0.46 1.41 1.83 0.00 0.00 175.22 178.95 1zqr s MET 236 N -4.15 0.45 0.00 10.12 1.75 -0.28 -3.29 119.30 123.89 1zqr s MET 236 Ca 0.38 0.42 0.00 0.00 -1.25 0.00 0.00 55.69 55.24 1zqr s MET 236 Cb -0.09 -0.13 0.00 0.00 2.84 0.00 0.00 34.83 37.45 1zqr s MET 236 CO 0.32 -0.89 0.00 0.41 -0.65 0.00 0.00 175.02 174.21 1zqr n GLY 237 N 5.38 3.56 3.58 2.11 0.00 0.56 -0.97 105.19 119.41 1zqr n GLY 237 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 1zqr n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zqr s VAL 238 N 3.60 0.00 0.23 1.61 1.01 -1.25 -2.89 120.40 122.72 1zqr s VAL 238 Ca 0.00 -1.43 -0.22 0.00 0.00 0.00 0.00 61.98 60.33 1zqr s VAL 238 Cb 0.00 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1zqr s VAL 238 CO 0.00 0.00 0.86 0.00 0.00 0.00 0.00 175.10 175.96 1zqr s GLN 240 N -3.29 0.94 -0.18 0.00 0.74 -0.58 0.13 119.66 117.43 1zqr s GLN 240 Ca 0.13 0.50 -0.16 0.00 0.05 0.00 0.00 55.36 55.88 1zqr s GLN 240 Cb -0.04 0.45 -0.04 0.00 1.10 0.00 0.00 33.01 34.48 1zqr s GLN 240 CO 0.06 -0.24 0.41 -0.51 -0.55 0.00 0.00 175.29 174.46 1zqr s LEU 241 N -0.62 4.19 -0.60 3.68 1.43 -1.26 -4.61 118.68 120.89 1zqr s LEU 241 Ca -0.07 0.59 -0.38 0.00 -1.03 0.00 0.00 54.13 53.23 1zqr s LEU 241 Cb -0.02 -2.54 -0.18 0.00 0.03 0.00 0.00 46.19 43.48 1zqr s LEU 241 CO 0.06 -0.04 2.31 -2.65 0.23 0.00 0.00 176.35 176.26 1zqr n PRO 242 N 4.19 0.24 -1.68 1.29 -0.02 -1.26 -4.01 135.00 133.75 1zqr n PRO 242 Ca -0.08 0.05 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 1zqr n PRO 242 Cb 0.51 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1zqr n PRO 242 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1zqr s SER 243 N 7.28 5.58 0.00 2.55 0.01 -1.26 -4.91 113.70 122.94 1zqr s SER 243 Ca 1.21 1.84 0.00 0.00 1.31 0.00 0.00 55.95 60.31 1zqr s SER 243 Cb -1.27 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 62.45 1zqr s SER 243 CO 0.57 -1.87 0.00 0.29 0.41 0.00 0.00 173.24 172.64 1zqr n LYS 244 N 8.64 1.99 -0.44 12.44 4.76 -1.23 -4.35 118.16 139.97 1zqr n LYS 244 Ca 0.28 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.72 1zqr n LYS 244 Cb 0.45 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.64 1zqr n LYS 244 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1zqr n ASN 245 N 0.00 4.61 -0.32 4.39 2.04 -1.26 -4.89 115.26 119.82 1zqr n ASN 245 Ca 0.00 -2.22 0.04 0.00 -0.44 0.00 0.00 54.58 51.97 1zqr n ASN 245 Cb 0.00 -0.98 -0.01 0.00 -2.53 0.00 0.00 39.78 36.26 1zqr n ASN 245 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1zqr n ASP 246 N 1.59 -1.92 0.00 0.53 8.00 -1.26 -4.95 116.55 118.53 1zqr n ASP 246 Ca 0.01 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1zqr n ASP 246 Cb 0.44 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1zqr n ASP 246 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1zqr n GLU 247 N -2.29 0.00 -3.28 -1.24 -0.58 -1.26 -4.90 120.64 107.10 1zqr n GLU 247 Ca -0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1zqr n GLU 247 Cb 0.15 -2.12 -0.05 0.00 -0.57 0.00 0.00 31.44 28.85 1zqr n GLU 247 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1zqr s LYS 248 N -0.01 0.43 -0.08 3.49 0.00 -1.26 -5.15 119.74 117.16 1zqr s LYS 248 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 55.97 56.45 1zqr s LYS 248 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 37.83 37.65 1zqr s LYS 248 CO 0.00 -0.79 0.08 -2.00 0.00 0.00 0.00 175.35 172.64 1zqr s GLU 249 N 2.64 3.21 0.36 1.78 2.12 -1.26 -3.53 118.70 124.02 1zqr s GLU 249 Ca 0.13 -0.30 -0.26 0.00 0.36 0.00 0.00 54.97 54.90 1zqr s GLU 249 Cb -0.14 -2.99 -0.09 0.00 0.26 0.00 0.00 34.13 31.17 1zqr s GLU 249 CO -0.22 0.72 1.06 0.71 -0.54 0.00 0.00 175.26 176.99 1zqr s TYR 250 N -1.03 3.37 0.23 5.30 2.02 -1.26 -5.02 117.35 120.97 1zqr s TYR 250 Ca 0.17 1.67 -0.29 0.00 -0.37 0.00 0.00 57.07 58.24 1zqr s TYR 250 Cb -0.12 -3.17 -0.09 0.00 -0.40 0.00 0.00 41.96 38.18 1zqr s TYR 250 CO 0.06 -0.58 0.92 -1.25 -1.57 0.00 0.00 175.55 173.13 1zqr s PRO 251 N -2.16 4.82 0.04 -1.71 0.04 -1.26 -4.75 135.00 130.02 1zqr s PRO 251 Ca 0.53 1.45 -0.36 0.00 0.04 0.00 0.00 61.00 62.67 1zqr s PRO 251 Cb -0.25 -3.28 -0.15 0.00 0.04 0.00 0.00 34.50 30.86 1zqr s PRO 251 CO 0.32 0.52 1.55 0.72 0.04 0.00 0.00 177.00 180.14 1zqr n HIS 252 N 1.53 1.96 -4.49 0.56 8.25 -1.26 -4.81 115.22 116.96 1zqr n HIS 252 Ca -0.02 0.41 -0.23 0.00 -0.26 0.00 0.00 57.72 57.62 1zqr n HIS 252 Cb 0.47 -2.47 -0.16 0.00 1.12 0.00 0.00 29.99 28.95 1zqr n HIS 252 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1zqr s ARG 253 N 1.50 1.41 0.99 -0.41 0.52 0.12 -4.21 118.95 118.87 1zqr s ARG 253 Ca 0.85 -0.35 -0.16 0.00 -0.52 0.00 0.00 55.73 55.56 1zqr s ARG 253 Cb -0.84 -1.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1zqr s ARG 253 CO 0.47 0.04 -0.20 0.54 0.02 0.00 0.00 175.30 176.16 1zqr n ARG 254 N 3.72 -0.27 -3.52 3.54 5.12 -1.26 0.11 116.66 124.10 1zqr n ARG 254 Ca -0.22 -0.06 -0.14 0.00 -1.93 0.00 0.00 57.85 55.50 1zqr n ARG 254 Cb 0.52 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 1zqr n ARG 254 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1zqr s ILE 255 N -2.21 0.00 -0.24 0.55 2.07 -1.14 -3.75 121.20 116.48 1zqr s ILE 255 Ca 0.49 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.63 1zqr s ILE 255 Cb -0.17 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.51 1zqr s ILE 255 CO 0.73 0.00 0.54 -1.81 -1.91 0.00 0.00 174.94 172.49 1zqr s ASP 256 N -1.60 -0.71 0.02 4.50 1.11 -1.17 0.21 116.67 119.02 1zqr s ASP 256 Ca -0.04 1.26 0.04 0.00 0.18 0.00 0.00 52.55 53.99 1zqr s ASP 256 Cb -0.00 1.55 -0.03 0.00 1.07 0.00 0.00 42.92 45.50 1zqr s ASP 256 CO 0.01 -0.22 -0.10 -0.63 1.18 0.00 0.00 175.17 175.41 1zqr s ILE 257 N 2.29 3.36 -0.11 0.77 1.01 -1.21 0.84 121.20 128.15 1zqr s ILE 257 Ca -0.06 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 1zqr s ILE 257 Cb -0.10 -2.45 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1zqr s ILE 257 CO -0.16 0.38 0.27 0.00 0.00 0.00 0.00 174.94 175.42 1zqr s ARG 258 N -1.42 0.25 0.40 2.79 1.70 -0.79 -2.09 118.95 119.79 1zqr s ARG 258 Ca 0.16 0.51 -0.14 0.00 -0.47 0.00 0.00 55.73 55.79 1zqr s ARG 258 Cb -0.11 -0.04 -0.08 0.00 -0.57 0.00 0.00 34.95 34.16 1zqr s ARG 258 CO 0.07 -0.13 0.81 -1.17 -1.08 0.00 0.00 175.30 173.80 1zqr s LEU 259 N 0.95 3.89 -0.06 -1.89 2.96 -1.09 0.14 118.68 123.58 1zqr s LEU 259 Ca -0.07 1.31 -0.27 0.00 -0.22 0.00 0.00 54.13 54.88 1zqr s LEU 259 Cb -0.08 -4.17 0.06 0.00 0.50 0.00 0.00 46.19 42.50 1zqr s LEU 259 CO -0.06 -0.36 0.61 -0.63 -1.32 0.00 0.00 176.35 174.59 1zqr s ILE 260 N -2.26 0.01 0.08 6.68 -1.09 0.40 -4.85 121.20 120.17 1zqr s ILE 260 Ca 0.55 -0.08 -0.31 0.00 -2.23 0.00 0.00 60.65 58.58 1zqr s ILE 260 Cb -0.10 -0.92 -0.09 0.00 -1.58 0.00 0.00 42.46 39.76 1zqr s ILE 260 CO 0.25 -0.04 1.81 -2.84 -1.23 0.00 0.00 174.94 172.88 1zqr s PRO 261 N -1.05 4.15 0.60 2.79 0.02 -1.26 -3.97 135.00 136.29 1zqr s PRO 261 Ca -0.10 2.51 0.28 0.00 0.02 0.00 0.00 61.00 63.71 1zqr s PRO 261 Cb -0.01 -3.74 1.45 0.00 0.02 0.00 0.00 34.50 32.22 1zqr s PRO 261 CO 0.08 -0.84 1.86 -0.22 -0.33 0.00 0.00 177.00 177.55 1zqr h LYS 262 N 9.01 0.00 -0.97 5.54 1.63 0.10 -0.89 116.57 130.99 1zqr h LYS 262 Ca -0.46 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.28 1zqr h LYS 262 Cb 1.22 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.81 1zqr h LYS 262 CO 0.94 0.00 0.08 -0.40 -3.45 0.00 0.00 179.45 176.63 1zqr n ASP 263 N -3.53 2.73 -0.58 4.20 5.75 -1.26 -3.68 116.55 120.17 1zqr n ASP 263 Ca 0.07 -2.26 -0.02 0.00 -0.01 0.00 0.00 54.79 52.57 1zqr n ASP 263 Cb 0.66 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 1zqr n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1zqr n GLN 264 N 0.17 0.00 0.00 0.11 6.02 -0.34 -4.88 117.38 118.45 1zqr n GLN 264 Ca 0.09 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1zqr n GLN 264 Cb 0.62 0.18 0.00 0.00 1.02 0.00 0.00 30.24 32.06 1zqr n GLN 264 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1zqr n TYR 265 N 0.00 0.00 -0.32 1.08 9.36 -1.23 -3.38 117.16 122.67 1zqr n TYR 265 Ca -0.08 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.32 1zqr n TYR 265 Cb 0.48 -0.41 0.38 0.00 -0.63 0.00 0.00 39.34 39.15 1zqr n TYR 265 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1zqr h TYR 266 N 0.00 0.62 0.06 2.98 0.05 -1.93 2.09 116.97 120.84 1zqr h TYR 266 Ca 0.00 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 1zqr h TYR 266 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1zqr h TYR 266 CO 0.15 -0.19 -0.03 0.00 -1.05 0.00 0.00 178.16 177.04 1zqr h GLY 268 N -0.16 0.97 0.71 0.00 0.00 -0.27 0.67 103.07 104.99 1zqr h GLY 268 Ca -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1zqr h GLY 268 CO 0.01 0.48 -0.42 -2.08 0.00 0.00 0.00 176.54 174.53 1zqr h VAL 269 N 0.88 0.15 -0.40 4.60 2.07 0.39 0.15 116.25 124.10 1zqr h VAL 269 Ca 0.21 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.81 1zqr h VAL 269 Cb 0.20 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 1zqr h VAL 269 CO -0.02 0.00 -0.20 0.25 0.02 0.00 0.00 177.57 177.63 1zqr h LEU 270 N -0.96 -0.67 0.88 2.57 5.85 0.70 -1.64 115.31 122.04 1zqr h LEU 270 Ca -0.06 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1zqr h LEU 270 Cb 0.81 0.36 0.01 0.00 0.37 0.00 0.00 40.66 42.21 1zqr h LEU 270 CO 0.01 -0.23 -0.43 0.22 -0.34 0.00 0.00 178.44 177.68 1zqr h TYR 271 N -0.12 -1.11 0.00 1.25 3.20 0.41 -3.03 116.97 117.56 1zqr h TYR 271 Ca 0.20 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1zqr h TYR 271 Cb 0.43 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1zqr h TYR 271 CO -0.44 -0.68 -0.00 0.74 -1.64 0.00 0.00 178.16 176.14 1zqr h PHE 272 N -1.19 0.00 0.00 -3.82 0.04 -0.56 -1.06 116.94 110.36 1zqr h PHE 272 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1zqr h PHE 272 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1zqr h PHE 272 CO 0.03 0.00 0.00 1.15 -0.60 0.00 0.00 178.31 178.89 1zqr h THR 273 N 0.00 0.00 -0.74 -1.55 2.02 -1.18 -3.05 112.91 108.41 1zqr h THR 273 Ca -0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1zqr h THR 273 Cb 0.02 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1zqr h THR 273 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1zqr n GLY 274 N 0.71 0.90 3.80 2.16 0.00 -0.40 -4.57 105.19 107.79 1zqr n GLY 274 Ca 0.03 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1zqr n GLY 274 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zqr s SER 275 N -4.00 3.99 0.25 1.61 1.04 -0.48 -4.57 113.70 111.55 1zqr s SER 275 Ca 0.00 1.08 -0.08 0.00 0.48 0.00 0.00 55.95 57.43 1zqr s SER 275 Cb 0.00 -1.72 0.42 0.00 0.10 0.00 0.00 66.02 64.82 1zqr s SER 275 CO 0.00 -2.26 1.61 0.44 0.98 0.00 0.00 173.24 174.01 1zqr h ASP 276 N -1.29 -0.58 -0.23 7.02 3.32 -1.90 1.59 116.42 124.34 1zqr h ASP 276 Ca -0.49 0.23 -0.15 0.00 0.02 0.00 0.00 57.03 56.65 1zqr h ASP 276 Cb 1.31 0.44 0.00 0.00 0.22 0.00 0.00 39.33 41.30 1zqr h ASP 276 CO 0.61 -0.25 -0.42 0.16 -1.72 0.00 0.00 179.24 177.63 1zqr h ILE 277 N 0.04 1.31 -0.64 0.35 -2.65 -1.91 -0.22 117.51 113.78 1zqr h ILE 277 Ca 0.42 -1.63 0.10 0.00 1.03 0.00 0.00 64.86 64.78 1zqr h ILE 277 Cb 0.71 1.77 -0.08 0.00 -2.05 0.00 0.00 36.82 37.17 1zqr h ILE 277 CO -0.78 0.52 0.24 0.15 0.03 0.00 0.00 178.15 178.31 1zqr h PHE 278 N 0.41 0.42 0.53 0.16 3.57 0.39 0.31 116.94 122.74 1zqr h PHE 278 Ca 0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1zqr h PHE 278 Cb 1.02 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1zqr h PHE 278 CO 0.08 0.09 -0.31 -0.91 -2.23 0.00 0.00 178.31 175.03 1zqr h ASN 279 N 0.42 -0.78 -0.79 0.41 -0.26 0.20 0.25 115.58 115.03 1zqr h ASN 279 Ca 0.33 0.04 0.19 0.00 -0.56 0.00 0.00 56.30 56.30 1zqr h ASN 279 Cb 0.43 0.22 -0.13 0.00 -1.06 0.00 0.00 38.32 37.78 1zqr h ASN 279 CO -0.33 -0.49 0.09 0.11 -1.06 0.00 0.00 177.43 175.76 1zqr h LYS 280 N -0.78 0.15 0.12 0.81 1.57 -0.54 0.21 116.57 118.11 1zqr h LYS 280 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1zqr h LYS 280 Cb 0.62 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1zqr h LYS 280 CO 0.08 0.10 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.09 1zqr h ASN 281 N 0.16 -0.14 0.04 0.86 4.21 -0.26 -0.19 115.58 120.26 1zqr h ASN 281 Ca 0.45 -0.26 0.03 0.00 1.21 0.00 0.00 56.30 57.73 1zqr h ASN 281 Cb 0.83 0.04 -0.05 0.00 -1.12 0.00 0.00 38.32 38.02 1zqr h ASN 281 CO -0.64 0.19 -0.31 -0.03 -1.29 0.00 0.00 177.43 175.35 1zqr h MET 282 N -0.48 -0.47 -0.70 0.81 1.85 0.70 -1.03 114.93 115.61 1zqr h MET 282 Ca -0.02 0.03 0.15 0.00 -0.61 0.00 0.00 59.70 59.26 1zqr h MET 282 Cb 0.39 0.11 -0.11 0.00 0.43 0.00 0.00 31.60 32.41 1zqr h MET 282 CO 0.03 -0.31 0.07 0.00 -0.40 0.00 0.00 176.91 176.29 1zqr h ARG 283 N -0.49 0.16 -0.74 0.39 3.08 -0.67 0.71 114.38 116.83 1zqr h ARG 283 Ca 0.05 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.22 1zqr h ARG 283 Cb 0.55 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.48 1zqr h ARG 283 CO -0.23 0.11 0.31 0.00 -1.07 0.00 0.00 179.97 179.08 1zqr h ALA 284 N 1.63 1.04 0.04 0.04 0.00 -0.13 -1.76 119.26 120.12 1zqr h ALA 284 Ca 0.39 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1zqr h ALA 284 Cb 0.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1zqr h ALA 284 CO -0.57 -0.19 -0.02 1.25 0.00 0.00 0.00 179.25 179.73 1zqr h HIS 285 N 0.47 -0.05 -1.02 0.00 -0.00 0.16 -2.73 115.15 111.97 1zqr h HIS 285 Ca 0.40 -0.00 0.28 0.00 -0.00 0.00 0.00 60.37 61.05 1zqr h HIS 285 Cb 0.58 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.95 1zqr h HIS 285 CO -0.16 -0.03 0.71 0.00 -0.00 0.00 0.00 177.93 178.46 1zqr h ALA 286 N 0.91 2.73 -0.76 5.26 0.00 -0.05 0.06 119.26 127.40 1zqr h ALA 286 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1zqr h ALA 286 Cb 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1zqr h ALA 286 CO 0.01 -1.05 0.36 1.25 0.00 0.00 0.00 179.25 179.82 1zqr h LEU 287 N 0.13 1.00 -0.03 0.00 7.12 -1.25 2.21 115.31 124.50 1zqr h LEU 287 Ca 0.51 -0.14 -0.04 0.00 0.13 0.00 0.00 57.88 58.34 1zqr h LEU 287 Cb 1.78 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.66 1zqr h LEU 287 CO -0.09 0.86 -0.15 -0.33 -0.13 0.00 0.00 178.44 178.60 1zqr h GLU 288 N 1.08 0.15 -0.04 1.25 4.39 -1.07 -3.09 114.58 117.25 1zqr h GLU 288 Ca 0.26 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1zqr h GLU 288 Cb 0.13 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1zqr h GLU 288 CO -0.03 0.79 0.00 1.63 -1.16 0.00 0.00 179.01 180.23 1zqr n LYS 289 N -4.61 0.24 -1.70 2.33 4.76 -0.67 -4.76 118.16 113.74 1zqr n LYS 289 Ca -0.09 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.28 1zqr n LYS 289 Cb 0.41 -1.02 -0.02 0.00 -1.84 0.00 0.00 35.03 32.57 1zqr n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zqr n GLY 290 N -0.15 0.46 3.65 0.72 0.00 -0.88 -4.91 105.19 104.08 1zqr n GLY 290 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1zqr n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1zqr s PHE 291 N -2.30 1.77 -0.07 1.61 0.08 0.74 0.10 117.98 119.91 1zqr s PHE 291 Ca 0.00 -1.19 -0.03 0.00 0.12 0.00 0.00 56.93 55.83 1zqr s PHE 291 Cb 0.00 -1.35 0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1zqr s PHE 291 CO 0.00 -0.10 0.16 -0.08 -0.10 0.00 0.00 175.22 175.10 1zqr s THR 292 N -3.05 -0.05 0.04 0.64 -1.32 0.13 -3.15 115.64 108.89 1zqr s THR 292 Ca 0.12 0.17 0.07 0.00 -1.21 0.00 0.00 61.69 60.84 1zqr s THR 292 Cb 0.01 -0.26 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1zqr s THR 292 CO 0.08 0.07 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.73 1zqr s ILE 293 N 1.13 1.60 -0.21 5.08 -1.09 -1.26 -2.05 121.20 124.40 1zqr s ILE 293 Ca -0.09 -1.16 -0.29 0.00 -2.23 0.00 0.00 60.65 56.88 1zqr s ILE 293 Cb -0.11 -1.39 0.15 0.00 -1.58 0.00 0.00 42.46 39.53 1zqr s ILE 293 CO -0.06 0.20 1.12 0.54 -1.23 0.00 0.00 174.94 175.50 1zqr s ASN 294 N -1.14 -0.27 0.00 3.58 6.03 -1.24 -5.00 114.94 116.91 1zqr s ASN 294 Ca 0.07 0.32 0.00 0.00 -1.03 0.00 0.00 52.86 52.22 1zqr s ASN 294 Cb -0.09 0.26 0.00 0.00 -3.03 0.00 0.00 41.25 38.39 1zqr s ASN 294 CO 0.02 -0.23 0.00 -1.84 -2.03 0.00 0.00 177.10 173.01 1zqr n GLU 295 N 0.81 0.00 0.00 3.55 0.00 -1.26 0.79 120.64 124.52 1zqr n GLU 295 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1zqr n GLU 295 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.02 1zqr n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1zqr n TYR 296 N -1.42 0.00 -1.74 -1.84 4.01 -1.26 -2.55 117.16 112.36 1zqr n TYR 296 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1zqr n TYR 296 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1zqr n TYR 296 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1zqr n THR 297 N -1.23 0.00 -3.15 -0.72 -2.24 0.24 -4.67 114.28 102.51 1zqr n THR 297 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1zqr n THR 297 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1zqr n THR 297 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1zqr s ILE 298 N -0.92 -0.69 -0.12 2.28 2.07 -1.26 -3.60 121.20 118.96 1zqr s ILE 298 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1zqr s ILE 298 Cb 0.00 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.87 1zqr s ILE 298 CO 0.00 0.00 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.84 1zqr s ARG 299 N 2.88 3.26 0.22 3.50 0.52 -0.87 0.18 118.95 128.64 1zqr s ARG 299 Ca 0.17 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 1zqr s ARG 299 Cb -0.07 -2.74 -0.09 0.00 0.52 0.00 0.00 34.95 32.58 1zqr s ARG 299 CO -0.25 0.40 1.19 -1.25 0.02 0.00 0.00 175.30 175.42 1zqr s PRO 300 N -0.10 4.51 0.09 3.54 0.04 -1.26 0.23 135.00 142.05 1zqr s PRO 300 Ca 0.01 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1zqr s PRO 300 Cb -0.13 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1zqr s PRO 300 CO 0.03 -0.04 0.96 -0.51 0.04 0.00 0.00 177.00 177.48 1zqr s LEU 301 N -0.60 4.48 -0.20 -3.56 1.02 0.28 -4.03 118.68 116.07 1zqr s LEU 301 Ca 0.51 1.76 -0.08 0.00 0.02 0.00 0.00 54.13 56.33 1zqr s LEU 301 Cb -0.33 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.27 1zqr s LEU 301 CO 0.39 -0.09 0.09 -0.83 0.02 0.00 0.00 176.35 175.93 1zqr s GLY 302 N 0.15 1.94 0.55 -3.19 0.00 -1.26 -4.92 107.32 100.59 1zqr s GLY 302 Ca 0.47 -0.78 0.33 0.00 0.00 0.00 0.00 44.72 44.74 1zqr s GLY 302 CO 0.29 0.16 1.84 -0.24 0.00 0.00 0.00 173.10 175.16 1zqr h VAL 303 N 4.90 0.45 0.00 1.40 3.04 -1.97 -2.73 116.25 121.34 1zqr h VAL 303 Ca -0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1zqr h VAL 303 Cb 1.16 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1zqr h VAL 303 CO 0.70 0.00 0.34 0.35 -1.01 0.00 0.00 177.57 177.95 1zqr n THR 304 N -4.12 0.60 0.00 3.17 -2.24 -1.26 -4.60 114.28 105.83 1zqr n THR 304 Ca 0.20 0.49 0.00 0.00 -2.27 0.00 0.00 64.05 62.47 1zqr n THR 304 Cb 1.05 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1zqr n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zqr n GLY 305 N -1.15 3.86 3.46 3.38 0.00 -1.04 -5.07 105.19 108.64 1zqr n GLY 305 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1zqr n GLY 305 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1zqr s VAL 306 N 0.00 0.00 0.24 1.61 -7.23 -1.15 -4.88 120.40 108.99 1zqr s VAL 306 Ca 0.00 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 58.33 1zqr s VAL 306 Cb 0.00 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.48 1zqr s VAL 306 CO 0.00 0.00 0.93 0.00 -0.31 0.00 0.00 175.10 175.72 1zqr s ALA 307 N -3.43 -1.35 0.00 1.32 0.00 -1.26 -3.98 121.76 113.06 1zqr s ALA 307 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1zqr s ALA 307 Cb 0.01 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1zqr s ALA 307 CO 0.17 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1zqr n GLY 308 N -0.59 5.42 1.23 0.00 0.00 -1.26 -4.84 105.19 105.15 1zqr n GLY 308 Ca -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1zqr n GLY 308 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zqr n GLU 309 N 0.00 0.00 -1.57 1.61 4.71 -1.26 -4.07 120.64 120.06 1zqr n GLU 309 Ca 0.00 0.41 -0.45 0.00 -0.01 0.00 0.00 57.16 57.11 1zqr n GLU 309 Cb 0.00 -1.09 -0.04 0.00 -1.01 0.00 0.00 31.44 29.30 1zqr n GLU 309 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1zqr n PRO 310 N -0.27 1.83 -2.01 3.49 -0.02 -1.26 -4.06 135.00 132.69 1zqr n PRO 310 Ca 0.00 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 1zqr n PRO 310 Cb 0.00 -3.06 -0.01 0.00 -0.02 0.00 0.00 33.50 30.41 1zqr n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1zqr s LEU 311 N 7.84 4.39 0.10 2.45 1.02 0.46 -4.93 118.68 130.02 1zqr s LEU 311 Ca 1.02 2.80 -0.31 0.00 0.02 0.00 0.00 54.13 57.66 1zqr s LEU 311 Cb -0.45 -3.65 -0.09 0.00 0.02 0.00 0.00 46.19 42.01 1zqr s LEU 311 CO 0.39 -0.65 1.63 -2.16 0.02 0.00 0.00 176.35 175.58 1zqr s PRO 312 N -1.83 4.20 -0.05 1.29 0.05 -1.26 -4.64 135.00 132.76 1zqr s PRO 312 Ca 0.50 2.35 0.06 0.00 0.05 0.00 0.00 61.00 63.96 1zqr s PRO 312 Cb -0.42 -3.47 -0.01 0.00 0.05 0.00 0.00 34.50 30.65 1zqr s PRO 312 CO 0.56 -0.70 -0.22 0.08 0.05 0.00 0.00 177.00 176.76 1zqr s VAL 313 N 2.20 1.83 -0.09 -0.36 1.01 -1.26 -4.93 120.40 118.80 1zqr s VAL 313 Ca 0.73 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1zqr s VAL 313 Cb -0.41 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1zqr s VAL 313 CO 0.32 0.51 0.09 0.47 0.00 0.00 0.00 175.10 176.49 1zqr n ASP 314 N 2.94 0.93 -3.59 3.32 9.92 -1.26 -4.90 116.55 123.91 1zqr n ASP 314 Ca -0.17 -0.45 -0.05 0.00 -0.53 0.00 0.00 54.79 53.59 1zqr n ASP 314 Cb 0.52 1.02 -0.03 0.00 -0.64 0.00 0.00 41.12 42.00 1zqr n ASP 314 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1zqr s SER 315 N -1.41 -0.17 0.60 -2.24 0.15 -1.26 -4.99 113.70 104.38 1zqr s SER 315 Ca 0.01 0.06 0.26 0.00 0.70 0.00 0.00 55.95 56.98 1zqr s SER 315 Cb 0.02 0.17 0.90 0.00 -1.71 0.00 0.00 66.02 65.39 1zqr s SER 315 CO 0.09 -0.25 1.28 -0.62 1.20 0.00 0.00 173.24 174.95 1zqr n GLU 316 N 0.10 0.01 0.03 5.44 1.02 -1.26 0.61 120.64 126.60 1zqr n GLU 316 Ca -0.02 1.01 -0.13 0.00 -0.02 0.00 0.00 57.16 58.01 1zqr n GLU 316 Cb 0.59 -2.52 -0.09 0.00 -0.02 0.00 0.00 31.44 29.39 1zqr n GLU 316 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1zqr h LYS 317 N 0.00 -0.09 -0.71 3.49 1.63 -1.99 -3.18 116.57 115.72 1zqr h LYS 317 Ca 0.49 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 60.45 1zqr h LYS 317 Cb 2.92 0.02 -0.12 0.00 -0.60 0.00 0.00 32.23 34.45 1zqr h LYS 317 CO -0.01 0.27 -0.01 -0.44 -3.45 0.00 0.00 179.45 175.81 1zqr h ASP 318 N -0.46 -0.35 -0.83 4.20 3.32 -0.22 1.30 116.42 123.37 1zqr h ASP 318 Ca -0.01 0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1zqr h ASP 318 Cb 0.40 0.33 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1zqr h ASP 318 CO 0.02 -0.16 0.38 0.40 -1.72 0.00 0.00 179.24 178.15 1zqr h ILE 319 N 0.10 1.26 0.82 0.35 2.04 -1.66 -1.54 117.51 118.87 1zqr h ILE 319 Ca 0.38 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1zqr h ILE 319 Cb 0.64 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1zqr h ILE 319 CO -0.63 0.32 -0.39 -0.26 0.00 0.00 0.00 178.15 177.19 1zqr h PHE 320 N 1.20 -1.02 -0.81 1.37 0.04 0.13 -3.08 116.94 114.77 1zqr h PHE 320 Ca 0.28 -0.02 0.20 0.00 2.80 0.00 0.00 57.97 61.22 1zqr h PHE 320 Cb 0.15 0.34 -0.14 0.00 2.20 0.00 0.00 35.95 38.50 1zqr h PHE 320 CO 0.02 -0.62 0.06 -0.44 -0.60 0.00 0.00 178.31 176.72 1zqr h ASP 321 N -1.22 -0.28 -0.43 2.17 3.32 0.70 -2.01 116.42 118.66 1zqr h ASP 321 Ca -0.11 0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.20 1zqr h ASP 321 Cb 0.85 0.34 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 1zqr h ASP 321 CO 0.18 -0.19 -0.51 1.88 -1.72 0.00 0.00 179.24 178.89 1zqr h TYR 322 N 0.12 -1.53 -0.51 4.55 -1.99 -1.24 -0.40 116.97 115.97 1zqr h TYR 322 Ca 0.46 0.08 -0.20 0.00 2.00 0.00 0.00 58.73 61.07 1zqr h TYR 322 Cb 0.86 0.72 -0.12 0.00 2.00 0.00 0.00 36.73 40.19 1zqr h TYR 322 CO -0.40 -0.47 0.25 0.44 -0.00 0.00 0.00 178.16 177.98 1zqr n ILE 323 N -5.39 2.09 -3.49 -2.88 -5.35 -0.89 -4.91 119.36 98.54 1zqr n ILE 323 Ca -0.02 -1.04 -0.16 0.00 -0.27 0.00 0.00 62.75 61.26 1zqr n ILE 323 Cb 0.35 -0.57 -0.03 0.00 -1.74 0.00 0.00 39.64 37.65 1zqr n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1zqr n GLN 324 N -0.18 -0.88 -3.77 6.28 10.64 -0.16 -4.90 117.38 124.41 1zqr n GLN 324 Ca 0.29 -0.07 -0.21 0.00 -1.83 0.00 0.00 57.00 55.18 1zqr n GLN 324 Cb 1.07 -1.18 -0.04 0.00 -0.86 0.00 0.00 30.24 29.23 1zqr n GLN 324 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 1zqr s TRP 325 N -3.86 2.86 0.10 2.61 -0.00 -0.96 -5.01 118.94 114.68 1zqr s TRP 325 Ca 0.07 -0.34 -0.30 0.00 -0.00 0.00 0.00 56.10 55.53 1zqr s TRP 325 Cb -0.04 -1.87 -0.06 0.00 -0.00 0.00 0.00 33.47 31.50 1zqr s TRP 325 CO 0.43 0.13 1.19 -1.59 -0.00 0.00 0.00 176.95 177.10 1zqr s LYS 326 N -4.02 4.46 0.19 5.86 -2.85 -1.26 -4.59 119.74 117.52 1zqr s LYS 326 Ca 0.42 1.79 -0.31 0.00 -1.00 0.00 0.00 55.97 56.87 1zqr s LYS 326 Cb -0.05 -3.32 -0.10 0.00 -2.06 0.00 0.00 37.83 32.30 1zqr s LYS 326 CO 0.27 -0.19 1.59 -0.47 0.10 0.00 0.00 175.35 176.64 1zqr s TYR 327 N 0.70 3.02 -0.20 1.78 6.14 -1.26 -4.94 117.35 122.59 1zqr s TYR 327 Ca 0.57 0.62 -0.02 0.00 0.64 0.00 0.00 57.07 58.87 1zqr s TYR 327 Cb -0.30 -3.96 -0.00 0.00 0.42 0.00 0.00 41.96 38.11 1zqr s TYR 327 CO 0.31 -3.53 -0.09 1.03 0.64 0.00 0.00 175.55 173.91 1zqr s ARG 328 N 0.93 3.29 0.56 4.97 0.52 -1.26 -5.08 118.95 122.90 1zqr s ARG 328 Ca 0.70 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 55.02 1zqr s ARG 328 Cb -0.45 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1zqr s ARG 328 CO 0.33 -0.13 1.28 -1.21 0.02 0.00 0.00 175.30 175.60 1zqr s GLU 329 N 1.24 3.08 0.49 3.54 2.02 -1.26 -4.82 118.70 122.99 1zqr s GLU 329 Ca 0.03 2.05 0.23 0.00 0.02 0.00 0.00 54.97 57.29 1zqr s GLU 329 Cb -0.14 -2.12 1.28 0.00 0.10 0.00 0.00 34.13 33.25 1zqr s GLU 329 CO -0.04 -1.18 1.95 -1.35 0.02 0.00 0.00 175.26 174.66 1zqr h PRO 330 N 1.24 0.15 -0.60 0.39 0.11 -1.96 0.17 132.00 131.49 1zqr h PRO 330 Ca -0.51 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.71 1zqr h PRO 330 Cb 1.30 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1zqr h PRO 330 CO 0.56 0.10 0.11 -0.22 -0.21 0.00 0.00 178.00 178.35 1zqr h LYS 331 N 0.15 0.23 -1.02 1.05 3.64 -1.78 -1.74 116.57 117.11 1zqr h LYS 331 Ca 0.33 -0.01 -0.58 0.00 -1.27 0.00 0.00 60.65 59.11 1zqr h LYS 331 Cb 1.07 -0.05 -0.29 0.00 -0.41 0.00 0.00 32.23 32.55 1zqr h LYS 331 CO -0.05 0.15 0.74 -0.40 -2.27 0.00 0.00 179.45 177.63 1zqr n ASP 332 N -5.15 5.76 -1.54 4.20 5.68 0.56 -4.27 116.55 121.79 1zqr n ASP 332 Ca 0.09 -3.64 0.09 0.00 -0.50 0.00 0.00 54.79 50.83 1zqr n ASP 332 Cb 0.33 -0.91 0.34 0.00 -1.14 0.00 0.00 41.12 39.74 1zqr n ASP 332 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1zqr n ARG 333 N -0.94 3.63 -0.09 0.11 5.12 -0.66 -4.51 116.66 119.33 1zqr n ARG 333 Ca 0.59 -2.71 0.21 0.00 -1.93 0.00 0.00 57.85 54.01 1zqr n ARG 333 Cb 1.12 -1.88 0.66 0.00 -1.16 0.00 0.00 32.46 31.19 1zqr n ARG 333 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1zqr h SER 334 N 3.88 0.09 0.00 0.55 0.02 -1.79 -1.27 113.55 115.03 1zqr h SER 334 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1zqr h SER 334 Cb 1.41 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1zqr h SER 334 CO 0.23 0.05 0.00 -1.84 -1.14 0.00 0.00 176.83 174.13