#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjx h ARG 9 N 0.00 1.10 -0.56 4.33 -0.00 -1.99 -0.47 114.38 116.80 2qjx h ARG 9 Ca 0.00 -0.07 -0.11 0.00 -0.00 0.00 0.00 59.98 59.80 2qjx h ARG 9 Cb 0.00 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.97 29.70 2qjx h ARG 9 CO 0.00 0.73 -0.09 1.15 -0.00 0.00 0.00 179.97 181.76 2qjx h THR 10 N 1.13 1.27 -0.35 0.08 2.02 -1.99 0.01 112.91 115.08 2qjx h THR 10 Ca 0.42 -1.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.25 2qjx h THR 10 Cb 0.16 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2qjx h THR 10 CO -0.17 0.44 -0.17 -0.33 0.37 0.00 0.00 175.52 175.66 2qjx h GLU 11 N 0.93 0.74 -0.12 6.66 5.08 -1.88 -2.20 114.58 123.80 2qjx h GLU 11 Ca 0.15 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2qjx h GLU 11 Cb 0.66 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2qjx h GLU 11 CO 0.05 0.94 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.90 2qjx h LEU 12 N 0.53 0.22 -0.70 1.33 3.38 -1.01 -2.23 115.31 116.83 2qjx h LEU 12 Ca 0.08 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2qjx h LEU 12 Cb 0.72 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2qjx h LEU 12 CO 0.05 0.52 0.43 -0.07 0.09 0.00 0.00 178.44 179.47 2qjx h LEU 13 N -0.09 0.70 -0.73 1.67 3.38 -1.01 0.13 115.31 119.37 2qjx h LEU 13 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2qjx h LEU 13 Cb 0.42 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2qjx h LEU 13 CO 0.01 0.48 0.42 0.74 0.09 0.00 0.00 178.44 180.19 2qjx h THR 14 N 0.84 1.21 0.04 0.22 2.02 -1.37 0.11 112.91 115.98 2qjx h THR 14 Ca 0.28 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2qjx h THR 14 Cb 0.04 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2qjx h THR 14 CO -0.12 0.23 -0.02 -0.25 0.37 0.00 0.00 175.52 175.73 2qjx h TRP 15 N 1.00 -0.05 -0.50 3.16 7.01 -0.70 -2.31 115.95 123.56 2qjx h TRP 15 Ca 0.26 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 2qjx h TRP 15 Cb -0.01 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 2qjx h TRP 15 CO -0.01 0.07 0.30 1.25 -2.79 0.00 0.00 178.44 177.26 2qjx h LEU 16 N -0.15 0.60 -1.05 0.65 5.85 -0.46 -0.82 115.31 119.93 2qjx h LEU 16 Ca -0.01 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2qjx h LEU 16 Cb 0.14 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2qjx h LEU 16 CO 0.01 0.49 0.41 0.78 -0.34 0.00 0.00 178.44 179.78 2qjx h ASN 17 N 0.67 0.96 -0.15 1.25 2.35 -0.72 -1.07 115.58 118.86 2qjx h ASN 17 Ca 0.18 -0.09 -0.21 0.00 -0.55 0.00 0.00 56.30 55.63 2qjx h ASN 17 Cb -0.00 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.13 2qjx h ASN 17 CO -0.03 0.78 -0.74 1.23 -1.65 0.00 0.00 177.43 177.01 2qjx h GLY 18 N 1.11 0.85 0.97 2.83 0.00 -1.19 0.72 103.07 108.35 2qjx h GLY 18 Ca 0.27 -1.19 -0.00 0.00 0.00 0.00 0.00 47.33 46.40 2qjx h GLY 18 CO -0.04 1.06 0.14 -2.00 0.00 0.00 0.00 176.54 175.70 2qjx h LEU 19 N 0.49 0.28 -2.79 3.11 5.85 -0.83 -3.24 115.31 118.17 2qjx h LEU 19 Ca -0.05 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2qjx h LEU 19 Cb 1.38 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2qjx h LEU 19 CO 0.15 0.25 0.00 0.18 -0.34 0.00 0.00 178.44 178.69 2qjx n LEU 20 N -4.89 3.16 -3.61 2.25 4.77 -0.43 -4.78 117.00 113.47 2qjx n LEU 20 Ca -0.03 -1.95 -0.23 0.00 -0.03 0.00 0.00 56.01 53.76 2qjx n LEU 20 Cb 0.06 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 40.90 2qjx n LEU 20 CO 0.34 0.78 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.93 2qjx n ASN 21 N 0.82 -3.45 -4.80 -1.43 5.15 0.12 -4.73 115.26 106.95 2qjx n ASN 21 Ca 0.15 -0.86 -0.25 0.00 -0.60 0.00 0.00 54.58 53.02 2qjx n ASN 21 Cb 0.47 -4.05 -0.05 0.00 -0.53 0.00 0.00 39.78 35.62 2qjx n ASN 21 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qjx s LEU 22 N -6.38 3.03 -0.34 1.20 1.43 -0.47 -5.02 118.68 112.13 2qjx s LEU 22 Ca 0.23 -1.09 0.14 0.00 -1.03 0.00 0.00 54.13 52.39 2qjx s LEU 22 Cb -0.06 -1.46 0.46 0.00 0.03 0.00 0.00 46.19 45.15 2qjx s LEU 22 CO 0.81 -0.70 1.03 -3.20 0.23 0.00 0.00 176.35 174.52 2qjx n ASN 23 N -1.41 2.54 -4.77 2.29 5.15 -1.26 -4.65 115.26 113.14 2qjx n ASN 23 Ca -0.01 -2.96 -0.38 0.00 -0.60 0.00 0.00 54.58 50.63 2qjx n ASN 23 Cb 0.64 -0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 39.37 2qjx n ASN 23 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2qjx s TYR 24 N -3.35 3.24 -0.04 1.20 1.51 -1.26 -4.96 117.35 113.69 2qjx s TYR 24 Ca 0.34 1.62 0.10 0.00 -1.01 0.00 0.00 57.07 58.11 2qjx s TYR 24 Cb 0.42 -3.26 -0.14 0.00 -0.11 0.00 0.00 41.96 38.87 2qjx s TYR 24 CO -0.03 -0.90 0.16 1.63 -1.11 0.00 0.00 175.55 175.30 2qjx n LYS 25 N 0.19 0.99 -4.13 -0.62 4.76 -1.26 -4.97 118.16 113.12 2qjx n LYS 25 Ca 0.04 -0.06 -0.15 0.00 -2.87 0.00 0.00 58.31 55.27 2qjx n LYS 25 Cb 0.48 -1.24 -0.13 0.00 -1.84 0.00 0.00 35.03 32.30 2qjx n LYS 25 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qjx s LYS 26 N -2.55 0.53 0.36 1.97 1.02 -1.26 -5.03 119.74 114.78 2qjx s LYS 26 Ca -0.04 -0.56 0.06 0.00 0.02 0.00 0.00 55.97 55.46 2qjx s LYS 26 Cb 0.05 -0.40 0.75 0.00 -0.52 0.00 0.00 37.83 37.71 2qjx s LYS 26 CO 0.41 0.09 1.94 0.82 -0.92 0.00 0.00 175.35 177.69 2qjx h ILE 27 N 4.68 0.99 -0.80 2.17 1.08 -1.95 -1.95 117.51 121.73 2qjx h ILE 27 Ca -0.33 -0.26 0.23 0.00 -0.39 0.00 0.00 64.86 64.11 2qjx h ILE 27 Cb 1.20 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 2qjx h ILE 27 CO 0.44 0.14 0.59 -0.33 -0.69 0.00 0.00 178.15 178.30 2qjx h GLU 28 N 0.75 0.00 0.00 2.37 3.07 -1.86 -0.16 114.58 118.75 2qjx h GLU 28 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 2qjx h GLU 28 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2qjx h GLU 28 CO -0.12 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.42 2qjx h GLU 29 N 0.00 0.00 0.00 2.33 5.08 -1.67 -0.88 114.58 119.44 2qjx h GLU 29 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2qjx h GLU 29 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2qjx h GLU 29 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2qjx h GLY 31 N 3.63 0.00 2.00 0.00 0.00 -1.33 -2.11 103.07 105.27 2qjx h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qjx h GLY 31 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 2qjx n THR 32 N -2.76 0.77 0.00 4.70 -2.24 -1.21 -4.08 114.28 109.46 2qjx n THR 32 Ca -0.02 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2qjx n THR 32 Cb 0.11 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2qjx n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qjx n GLY 33 N 0.29 2.85 0.06 3.38 0.00 -0.79 -4.50 105.19 106.48 2qjx n GLY 33 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2qjx n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjx h ALA 34 N 0.00 -0.03 -0.88 4.61 0.00 -1.84 -2.33 119.26 118.79 2qjx h ALA 34 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qjx h ALA 34 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2qjx h ALA 34 CO 0.00 -0.45 0.52 0.00 0.00 0.00 0.00 179.25 179.32 2qjx h ALA 35 N 0.80 1.12 -0.52 0.00 0.00 -1.90 -2.05 119.26 116.72 2qjx h ALA 35 Ca -0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2qjx h ALA 35 Cb 0.16 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2qjx h ALA 35 CO 0.01 0.59 0.28 1.88 0.00 0.00 0.00 179.25 182.00 2qjx h TYR 36 N 1.21 0.51 -0.30 0.00 0.99 -1.84 -0.07 116.97 117.48 2qjx h TYR 36 Ca 0.32 0.02 0.02 0.00 2.00 0.00 0.00 58.73 61.09 2qjx h TYR 36 Cb -0.04 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 37.51 2qjx h TYR 36 CO 0.00 0.26 0.14 0.00 -0.00 0.00 0.00 178.16 178.57 2qjx h GLN 38 N 0.30 0.00 -1.31 0.00 4.15 -0.83 -0.74 115.11 116.69 2qjx h GLN 38 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2qjx h GLN 38 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2qjx h GLN 38 CO -0.09 0.34 0.00 -0.89 -1.93 0.00 0.00 178.83 176.27 2qjx n ILE 39 N -3.73 0.16 0.00 2.39 5.41 -0.09 -1.01 119.36 122.49 2qjx n ILE 39 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2qjx n ILE 39 Cb 0.44 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 2qjx n ILE 39 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2qjx n ASP 41 N 0.73 0.00 0.25 4.38 2.03 -0.28 -2.71 116.55 120.94 2qjx n ASP 41 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 2qjx n ASP 41 Cb 0.10 0.00 0.60 0.00 -0.72 0.00 0.00 41.12 41.10 2qjx n ASP 41 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2qjx h SER 42 N 0.00 0.00 0.07 1.67 4.64 -1.36 0.65 113.55 119.21 2qjx h SER 42 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2qjx h SER 42 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2qjx h SER 42 CO 0.00 0.09 -1.28 0.40 -0.87 0.00 0.00 176.83 175.17 2qjx h ILE 43 N 0.00 1.02 0.00 0.95 2.04 -1.79 -3.42 117.51 116.31 2qjx h ILE 43 Ca -0.00 -2.31 -0.23 0.00 1.00 0.00 0.00 64.86 63.31 2qjx h ILE 43 Cb 0.17 2.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 2qjx h ILE 43 CO 0.01 0.58 -2.14 -1.22 0.00 0.00 0.00 178.15 175.38 2qjx n TYR 44 N -4.12 0.00 -1.67 1.37 4.02 -1.19 -4.76 117.16 110.81 2qjx n TYR 44 Ca -0.27 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.44 2qjx n TYR 44 Cb 0.80 -0.76 -0.07 0.00 -0.02 0.00 0.00 39.34 39.29 2qjx n TYR 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qjx n GLY 45 N 1.73 1.48 0.26 2.72 0.00 0.23 -4.86 105.19 106.76 2qjx n GLY 45 Ca -0.22 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.76 2qjx n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qjx n ASP 46 N -1.11 1.75 -4.79 1.61 5.75 -1.26 -5.05 116.55 113.45 2qjx n ASP 46 Ca -0.19 -2.92 -0.36 0.00 -0.01 0.00 0.00 54.79 51.31 2qjx n ASP 46 Cb 0.62 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 40.26 2qjx n ASP 46 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qjx s LEU 47 N -2.23 4.31 0.38 -2.12 2.01 -1.26 -5.11 118.68 114.66 2qjx s LEU 47 Ca 0.26 1.77 -0.23 0.00 0.01 0.00 0.00 54.13 55.95 2qjx s LEU 47 Cb 0.24 -4.01 -0.10 0.00 0.01 0.00 0.00 46.19 42.33 2qjx s LEU 47 CO 0.01 -0.08 0.93 -2.16 1.01 0.00 0.00 176.35 176.06 2qjx s PRO 48 N -2.14 4.35 0.00 1.29 0.04 -1.26 -5.03 135.00 132.25 2qjx s PRO 48 Ca 0.50 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2qjx s PRO 48 Cb -0.18 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2qjx s PRO 48 CO 0.22 0.10 0.00 0.09 0.04 0.00 0.00 177.00 177.46 2qjx n ASN 50 N -0.15 0.00 -0.42 6.66 3.02 -1.26 -2.74 115.26 120.37 2qjx n ASN 50 Ca 0.05 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.71 2qjx n ASN 50 Cb 0.52 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.75 2qjx n ASN 50 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qjx n ARG 51 N 0.00 1.06 -2.67 3.52 1.74 -1.26 -4.87 116.66 114.19 2qjx n ARG 51 Ca 0.00 -0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 55.81 2qjx n ARG 51 Cb 0.00 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 2qjx n ARG 51 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qjx s VAL 52 N -2.52 4.74 -1.11 1.55 1.01 -1.11 -4.89 120.40 118.09 2qjx s VAL 52 Ca 0.19 1.98 -0.19 0.00 0.00 0.00 0.00 61.98 63.96 2qjx s VAL 52 Cb 0.18 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.38 2qjx s VAL 52 CO 0.58 0.09 1.46 -0.54 0.00 0.00 0.00 175.10 176.70 2qjx s LYS 53 N 1.45 3.78 0.18 2.72 -0.14 -1.26 -4.83 119.74 121.64 2qjx s LYS 53 Ca 0.51 -1.71 -0.12 0.00 -1.36 0.00 0.00 55.97 53.30 2qjx s LYS 53 Cb -0.21 -5.28 0.09 0.00 -1.68 0.00 0.00 37.83 30.76 2qjx s LYS 53 CO 0.24 -2.07 1.77 0.35 -0.76 0.00 0.00 175.35 174.88 2qjx h PHE 54 N 8.60 0.91 -2.07 3.18 3.57 -1.94 -3.18 116.94 126.01 2qjx h PHE 54 Ca 0.28 -0.04 -0.68 0.00 3.53 0.00 0.00 57.97 61.05 2qjx h PHE 54 Cb 0.95 -0.28 -0.35 0.00 2.79 0.00 0.00 35.95 39.06 2qjx h PHE 54 CO 1.27 0.69 0.12 0.09 -2.23 0.00 0.00 178.31 178.25 2qjx n ASN 55 N -4.50 5.89 -4.84 0.41 3.02 -1.26 -4.84 115.26 109.15 2qjx n ASN 55 Ca 0.04 -3.72 -0.32 0.00 -0.03 0.00 0.00 54.58 50.55 2qjx n ASN 55 Cb 0.12 -0.80 -0.05 0.00 -0.61 0.00 0.00 39.78 38.44 2qjx n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qjx s ALA 56 N -3.84 3.15 0.00 5.41 0.00 -1.20 -4.99 121.76 120.28 2qjx s ALA 56 Ca 0.46 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2qjx s ALA 56 Cb 0.31 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2qjx s ALA 56 CO -0.20 0.01 0.00 2.41 0.00 0.00 0.00 175.76 177.98 2qjx n THR 57 N -1.04 0.00 -3.90 0.00 -1.04 -1.26 -5.05 114.28 101.99 2qjx n THR 57 Ca 0.05 -0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.70 2qjx n THR 57 Cb 0.54 0.26 -0.07 0.00 -1.82 0.00 0.00 70.33 69.23 2qjx n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qjx s ALA 58 N -0.96 3.73 0.43 2.41 0.00 -1.26 -5.01 121.76 121.10 2qjx s ALA 58 Ca 0.00 -0.68 0.13 0.00 0.00 0.00 0.00 51.96 51.42 2qjx s ALA 58 Cb 0.00 -1.97 1.02 0.00 0.00 0.00 0.00 23.12 22.16 2qjx s ALA 58 CO 0.00 0.45 1.97 1.49 0.00 0.00 0.00 175.76 179.68 2qjx h GLU 59 N 5.62 0.42 0.00 0.00 4.81 -1.97 -0.60 114.58 122.86 2qjx h GLU 59 Ca -0.49 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2qjx h GLU 59 Cb 1.20 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2qjx h GLU 59 CO 0.64 0.27 -0.11 0.10 -0.73 0.00 0.00 179.01 179.18 2qjx h TYR 60 N 0.43 0.00 0.05 0.92 -0.00 -2.00 -1.06 116.97 115.31 2qjx h TYR 60 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.77 2qjx h TYR 60 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.28 2qjx h TYR 60 CO -0.00 0.11 -1.05 0.93 -0.00 0.00 0.00 178.16 178.16 2qjx h GLU 61 N 0.00 0.33 -0.60 0.10 5.08 -1.53 -3.12 114.58 114.84 2qjx h GLU 61 Ca -0.00 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 2qjx h GLU 61 Cb 0.29 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2qjx h GLU 61 CO 0.01 1.13 0.20 0.74 -1.00 0.00 0.00 179.01 180.10 2qjx h PHE 62 N 0.16 0.90 -1.01 4.33 0.04 -1.04 -2.27 116.94 118.06 2qjx h PHE 62 Ca -0.10 -0.07 0.08 0.00 2.80 0.00 0.00 57.97 60.69 2qjx h PHE 62 Cb 1.71 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 39.52 2qjx h PHE 62 CO 0.06 0.72 0.65 0.37 -0.60 0.00 0.00 178.31 179.50 2qjx h GLN 63 N 0.87 1.11 -0.64 1.51 5.75 -1.25 -0.82 115.11 121.63 2qjx h GLN 63 Ca 0.20 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.55 2qjx h GLN 63 Cb 0.22 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 2qjx h GLN 63 CO -0.01 0.73 0.09 1.15 -2.65 0.00 0.00 178.83 178.15 2qjx h THR 64 N 1.14 1.26 -0.63 2.39 2.02 -1.40 -1.44 112.91 116.26 2qjx h THR 64 Ca 0.45 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 2qjx h THR 64 Cb 0.24 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2qjx h THR 64 CO -0.19 0.39 0.28 0.78 0.37 0.00 0.00 175.52 177.14 2qjx h ASN 65 N 0.99 0.84 0.21 4.18 2.35 -0.95 -1.61 115.58 121.58 2qjx h ASN 65 Ca 0.19 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 2qjx h ASN 65 Cb 0.45 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2qjx h ASN 65 CO 0.01 0.76 -0.37 1.88 -1.65 0.00 0.00 177.43 178.06 2qjx h TYR 66 N 0.87 0.25 -0.14 1.19 -1.99 -0.95 0.25 116.97 116.46 2qjx h TYR 66 Ca 0.21 -0.06 -0.13 0.00 2.00 0.00 0.00 58.73 60.75 2qjx h TYR 66 Cb 0.16 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 2qjx h TYR 66 CO 0.01 0.56 -0.49 0.87 -0.00 0.00 0.00 178.16 179.11 2qjx h LYS 67 N 0.19 0.35 -0.39 4.88 1.57 -0.91 0.21 116.57 122.47 2qjx h LYS 67 Ca 0.02 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 2qjx h LYS 67 Cb 0.74 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2qjx h LYS 67 CO 0.06 0.76 -0.21 0.82 -0.57 0.00 0.00 179.45 180.31 2qjx h ILE 68 N 0.28 1.28 -0.34 1.86 2.04 -0.86 -0.80 117.51 120.97 2qjx h ILE 68 Ca 0.01 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 2qjx h ILE 68 Cb 0.96 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2qjx h ILE 68 CO 0.08 0.45 0.07 0.25 0.00 0.00 0.00 178.15 179.00 2qjx h LEU 69 N 0.64 0.53 -0.94 1.44 5.85 -0.64 -1.78 115.31 120.41 2qjx h LEU 69 Ca 0.08 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2qjx h LEU 69 Cb 0.78 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2qjx h LEU 69 CO 0.06 0.64 0.41 1.56 -0.34 0.00 0.00 178.44 180.77 2qjx h GLN 70 N 0.39 1.17 -0.47 1.25 4.20 -0.51 -1.71 115.11 119.43 2qjx h GLN 70 Ca 0.10 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2qjx h GLN 70 Cb 0.32 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2qjx h GLN 70 CO 0.00 0.88 0.08 0.77 -0.67 0.00 0.00 178.83 179.90 2qjx h SER 71 N 1.16 0.68 -0.21 1.46 0.02 -0.93 -1.29 113.55 114.45 2qjx h SER 71 Ca 0.29 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2qjx h SER 71 Cb 0.08 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2qjx h SER 71 CO -0.04 0.70 0.06 0.00 -1.14 0.00 0.00 176.83 176.41 2qjx h PHE 73 N 0.17 0.70 -0.16 0.00 0.05 -0.94 -1.77 116.94 114.99 2qjx h PHE 73 Ca 0.07 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.86 2qjx h PHE 73 Cb 0.26 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 37.98 2qjx h PHE 73 CO 0.01 0.39 0.02 1.03 -0.18 0.00 0.00 178.31 179.58 2qjx h SER 74 N 0.73 0.25 -0.81 2.17 0.87 -1.08 0.25 113.55 115.93 2qjx h SER 74 Ca 0.25 -0.26 0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2qjx h SER 74 Cb 0.04 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.87 2qjx h SER 74 CO -0.11 0.45 0.48 -0.09 -0.53 0.00 0.00 176.83 177.03 2qjx h ARG 75 N 0.04 0.83 -0.22 2.24 2.43 -0.58 -2.36 114.38 116.76 2qjx h ARG 75 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qjx h ARG 75 Cb 0.31 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2qjx h ARG 75 CO 0.00 0.55 0.00 0.72 -1.51 0.00 0.00 179.97 179.73 2qjx n HIS 76 N -4.70 0.28 -2.26 2.20 8.25 -0.69 -4.95 115.22 113.36 2qjx n HIS 76 Ca 0.12 -0.14 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 2qjx n HIS 76 Cb 0.21 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 2qjx n HIS 76 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qjx n GLY 77 N 1.24 -0.17 3.66 -1.41 0.00 -0.54 -4.97 105.19 103.00 2qjx n GLY 77 Ca 0.17 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2qjx n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qjx s ILE 78 N -2.66 4.56 -0.44 -0.61 -1.09 0.76 -4.92 121.20 116.80 2qjx s ILE 78 Ca 0.00 1.88 0.23 0.00 -2.23 0.00 0.00 60.65 60.53 2qjx s ILE 78 Cb -0.00 -4.22 0.30 0.00 -1.58 0.00 0.00 42.46 36.96 2qjx s ILE 78 CO 0.00 -0.17 1.57 -0.33 -1.23 0.00 0.00 174.94 174.78 2qjx h GLU 79 N 7.69 0.00 -6.36 2.79 5.08 -1.93 -3.42 114.58 118.43 2qjx h GLU 79 Ca -0.21 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.52 2qjx h GLU 79 Cb 1.07 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.42 2qjx h GLU 79 CO 0.98 0.00 0.08 1.17 -1.00 0.00 0.00 179.01 180.23 2qjx n LYS 80 N -3.01 1.09 -2.66 2.33 3.00 -1.26 -4.94 118.16 112.71 2qjx n LYS 80 Ca 0.04 0.38 -0.33 0.00 -0.00 0.00 0.00 58.31 58.40 2qjx n LYS 80 Cb 0.53 -1.74 -0.05 0.00 0.00 0.00 0.00 35.03 33.76 2qjx n LYS 80 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2qjx s THR 81 N -0.78 4.18 -0.30 3.15 -4.23 -1.26 -5.05 115.64 111.35 2qjx s THR 81 Ca 0.64 1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 62.44 2qjx s THR 81 Cb -0.79 -3.55 0.10 0.00 1.34 0.00 0.00 72.50 69.60 2qjx s THR 81 CO 0.57 -0.33 0.12 -0.69 -0.54 0.00 0.00 174.62 173.75 2qjx s VAL 82 N -2.16 0.29 -1.08 2.29 1.01 -1.26 -5.07 120.40 114.43 2qjx s VAL 82 Ca 0.64 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 2qjx s VAL 82 Cb -0.12 -1.24 0.17 0.00 0.00 0.00 0.00 36.38 35.19 2qjx s VAL 82 CO 0.18 -0.71 1.25 -0.31 0.00 0.00 0.00 175.10 175.51 2qjx s TYR 83 N 1.91 3.45 0.20 5.22 2.02 -1.26 -4.87 117.35 124.03 2qjx s TYR 83 Ca 0.09 -1.91 -0.12 0.00 -0.37 0.00 0.00 57.07 54.76 2qjx s TYR 83 Cb -0.16 -4.23 0.26 0.00 -0.40 0.00 0.00 41.96 37.42 2qjx s TYR 83 CO -0.32 -1.36 1.68 0.28 -1.57 0.00 0.00 175.55 174.25 2qjx h VAL 84 N 4.99 0.56 -1.02 0.71 2.07 -1.98 -1.16 116.25 120.42 2qjx h VAL 84 Ca 0.23 -0.05 0.26 0.00 0.82 0.00 0.00 66.70 67.97 2qjx h VAL 84 Cb 0.94 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 2qjx h VAL 84 CO 1.14 0.02 0.68 -2.24 0.02 0.00 0.00 177.57 177.20 2qjx h ASP 85 N 0.14 0.30 0.18 0.57 3.04 -1.99 0.14 116.42 118.79 2qjx h ASP 85 Ca 0.29 0.05 -0.29 0.00 -3.24 0.00 0.00 57.03 53.84 2qjx h ASP 85 Cb 0.46 -0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.77 2qjx h ASP 85 CO -0.47 0.08 -1.39 0.11 -2.04 0.00 0.00 179.24 175.53 2qjx h LYS 86 N 0.28 0.37 -0.14 4.15 6.56 -1.64 -3.39 116.57 122.76 2qjx h LYS 86 Ca 0.54 -0.63 -0.19 0.00 -1.06 0.00 0.00 60.65 59.31 2qjx h LYS 86 Cb 1.59 0.24 0.01 0.00 -0.57 0.00 0.00 32.23 33.49 2qjx h LYS 86 CO -0.18 1.30 -0.66 -0.07 -2.06 0.00 0.00 179.45 177.78 2qjx h LEU 87 N -0.10 0.82 -2.09 2.94 3.38 -0.85 -3.29 115.31 116.12 2qjx h LEU 87 Ca -0.27 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2qjx h LEU 87 Cb 1.93 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2qjx h LEU 87 CO 0.16 1.32 0.00 -0.29 0.09 0.00 0.00 178.44 179.72 2qjx h ILE 88 N 0.38 0.00 -0.02 1.22 2.10 -0.90 -0.42 117.51 119.88 2qjx h ILE 88 Ca -0.04 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.86 2qjx h ILE 88 Cb 1.29 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 2qjx h ILE 88 CO 0.14 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.75 2qjx n ARG 89 N -2.66 1.21 -2.68 2.19 1.74 -1.24 -4.85 116.66 110.37 2qjx n ARG 89 Ca -0.02 -0.31 -0.21 0.00 -0.77 0.00 0.00 57.85 56.54 2qjx n ARG 89 Cb 0.07 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 2qjx n ARG 89 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qjx s LYS 91 N -5.34 4.68 0.08 0.00 2.20 -1.26 -4.64 119.74 115.45 2qjx s LYS 91 Ca 0.14 1.65 -0.36 0.00 -0.36 0.00 0.00 55.97 57.03 2qjx s LYS 91 Cb -0.06 -3.15 -0.18 0.00 -1.51 0.00 0.00 37.83 32.93 2qjx s LYS 91 CO 0.17 0.30 1.57 0.35 -0.36 0.00 0.00 175.35 177.38 2qjx h PHE 92 N 3.80 -1.34 -0.43 4.03 3.57 -1.93 -3.09 116.94 121.55 2qjx h PHE 92 Ca -0.46 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.10 2qjx h PHE 92 Cb 1.21 0.50 -0.05 0.00 2.79 0.00 0.00 35.95 40.39 2qjx h PHE 92 CO 0.60 -0.70 0.11 0.37 -2.23 0.00 0.00 178.31 176.46 2qjx h GLN 93 N -1.10 0.24 -0.45 1.11 5.75 -1.99 0.48 115.11 119.15 2qjx h GLN 93 Ca -0.08 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2qjx h GLN 93 Cb 0.92 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 2qjx h GLN 93 CO 0.03 0.16 0.24 -0.44 -2.65 0.00 0.00 178.83 176.17 2qjx h ASP 94 N 0.25 0.57 0.28 -0.69 3.32 -1.91 -1.79 116.42 116.45 2qjx h ASP 94 Ca 0.21 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 2qjx h ASP 94 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2qjx h ASP 94 CO -0.25 0.51 -0.56 0.78 -1.72 0.00 0.00 179.24 178.00 2qjx h ASN 95 N 0.59 0.33 -0.07 6.45 2.35 -1.43 -2.07 115.58 121.73 2qjx h ASN 95 Ca 0.16 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2qjx h ASN 95 Cb 0.07 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2qjx h ASN 95 CO -0.02 0.83 0.04 0.25 -1.65 0.00 0.00 177.43 176.88 2qjx h LEU 96 N 0.23 0.07 -0.76 1.61 5.85 -0.63 -0.51 115.31 121.18 2qjx h LEU 96 Ca 0.00 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2qjx h LEU 96 Cb 1.06 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2qjx h LEU 96 CO 0.09 0.06 0.34 -0.33 -0.34 0.00 0.00 178.44 178.26 2qjx h GLU 97 N 0.09 1.12 -0.42 1.25 5.08 -1.22 -1.00 114.58 119.48 2qjx h GLU 97 Ca 0.03 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 2qjx h GLU 97 Cb -0.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2qjx h GLU 97 CO -0.01 0.89 -0.20 0.35 -1.00 0.00 0.00 179.01 179.04 2qjx h PHE 98 N 1.09 1.00 -0.47 4.33 3.57 -1.19 -2.31 116.94 122.97 2qjx h PHE 98 Ca 0.26 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 2qjx h PHE 98 Cb 0.16 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2qjx h PHE 98 CO 0.01 1.03 0.01 1.25 -2.23 0.00 0.00 178.31 178.38 2qjx h LEU 99 N 0.69 0.73 -0.41 0.59 5.85 -0.91 -0.15 115.31 121.70 2qjx h LEU 99 Ca 0.09 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2qjx h LEU 99 Cb 0.76 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2qjx h LEU 99 CO 0.06 0.79 0.24 1.56 -0.34 0.00 0.00 178.44 180.75 2qjx h GLN 100 N 0.72 0.57 -0.55 1.25 4.20 -0.99 -0.77 115.11 119.53 2qjx h GLN 100 Ca 0.14 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 2qjx h GLN 100 Cb 0.42 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2qjx h GLN 100 CO 0.02 0.44 0.07 2.35 -0.67 0.00 0.00 178.83 181.03 2qjx h TRP 101 N 0.54 0.99 -0.72 2.96 7.01 -1.01 -2.80 115.95 122.92 2qjx h TRP 101 Ca 0.15 -0.15 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2qjx h TRP 101 Cb 0.03 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 2qjx h TRP 101 CO -0.03 0.89 0.46 -0.07 -2.79 0.00 0.00 178.44 176.90 2qjx h LEU 102 N 0.82 0.77 -1.09 0.65 3.38 -0.69 -0.33 115.31 118.83 2qjx h LEU 102 Ca 0.16 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2qjx h LEU 102 Cb 0.44 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2qjx h LEU 102 CO 0.02 0.55 0.62 0.50 0.09 0.00 0.00 178.44 180.21 2qjx h LYS 103 N 0.92 1.18 -0.57 1.13 3.64 -0.99 0.12 116.57 121.99 2qjx h LYS 103 Ca 0.28 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2qjx h LYS 103 Cb -0.03 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 2qjx h LYS 103 CO -0.09 0.78 -0.05 0.87 -2.27 0.00 0.00 179.45 178.69 2qjx h LYS 104 N 1.21 1.04 -0.56 1.90 6.56 -1.07 -0.21 116.57 125.45 2qjx h LYS 104 Ca 0.36 -0.36 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2qjx h LYS 104 Cb -0.06 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.50 2qjx h LYS 104 CO -0.10 1.05 0.22 1.25 -2.06 0.00 0.00 179.45 179.82 2qjx h HIS 105 N 0.93 0.85 -0.18 -1.35 2.76 -0.24 -1.59 115.15 116.33 2qjx h HIS 105 Ca 0.15 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2qjx h HIS 105 Cb 0.61 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2qjx h HIS 105 CO 0.04 0.69 0.09 2.35 -1.30 0.00 0.00 177.93 179.80 2qjx h TRP 106 N 0.76 0.24 -0.60 5.26 7.01 -0.52 0.28 115.95 128.39 2qjx h TRP 106 Ca 0.19 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.25 2qjx h TRP 106 Cb 0.20 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 27.12 2qjx h TRP 106 CO 0.01 0.24 0.29 0.82 -2.79 0.00 0.00 178.44 177.01 2qjx h ILE 107 N 0.18 0.90 -0.00 2.65 2.04 -0.83 0.12 117.51 122.56 2qjx h ILE 107 Ca 0.06 -0.18 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 2qjx h ILE 107 Cb 0.08 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2qjx h ILE 107 CO -0.01 0.10 -0.76 -0.09 0.00 0.00 0.00 178.15 177.39 2qjx h ARG 108 N 0.54 0.03 0.00 2.37 2.43 -1.06 -3.39 114.38 115.30 2qjx h ARG 108 Ca 0.28 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2qjx h ARG 108 Cb 0.24 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2qjx h ARG 108 CO -0.22 0.78 -0.70 0.72 -1.51 0.00 0.00 179.97 179.04 2qjx n HIS 109 N -3.65 0.00 -1.92 2.20 8.25 0.07 -4.99 115.22 115.18 2qjx n HIS 109 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2qjx n HIS 109 Cb 0.74 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.76 2qjx n HIS 109 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2qjx s LYS 110 N -1.93 4.19 0.00 -0.41 2.47 0.39 -4.98 119.74 119.47 2qjx s LYS 110 Ca 0.00 2.33 0.00 0.00 -1.56 0.00 0.00 55.97 56.75 2qjx s LYS 110 Cb 0.04 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.71 2qjx s LYS 110 CO 0.26 -0.77 0.00 -0.40 0.16 0.00 0.00 175.35 174.60 2qjx n ASP 111 N 5.99 0.00 0.19 1.43 5.68 -1.26 -4.99 116.55 123.60 2qjx n ASP 111 Ca 0.16 -0.66 0.06 0.00 -0.50 0.00 0.00 54.79 53.86 2qjx n ASP 111 Cb 0.41 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.72 2qjx n ASP 111 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2qjx h GLU 112 N 0.00 0.00 -6.83 0.11 3.07 -2.00 -3.46 114.58 105.46 2qjx h GLU 112 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 2qjx h GLU 112 Cb 0.00 0.00 0.16 0.00 -0.84 0.00 0.00 28.75 28.07 2qjx h GLU 112 CO 0.00 0.35 0.11 -1.13 -1.40 0.00 0.00 179.01 176.94 2qjx n SER 113 N -3.46 0.72 -4.82 1.42 3.41 -1.26 -4.97 113.62 104.65 2qjx n SER 113 Ca 0.00 0.80 -0.35 0.00 -0.26 0.00 0.00 58.87 59.06 2qjx n SER 113 Cb 0.51 -1.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.02 2qjx n SER 113 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qjx s VAL 114 N -1.52 4.57 -0.08 -3.33 0.11 -1.26 -5.07 120.40 113.81 2qjx s VAL 114 Ca 0.76 1.24 0.05 0.00 -2.93 0.00 0.00 61.98 61.09 2qjx s VAL 114 Cb -0.41 -3.80 -0.01 0.00 -1.53 0.00 0.00 36.38 30.63 2qjx s VAL 114 CO 0.47 0.10 -0.23 -0.47 -3.33 0.00 0.00 175.10 171.63 2qjx s TYR 115 N -1.65 2.53 -0.59 1.54 5.04 -1.26 -5.08 117.35 117.89 2qjx s TYR 115 Ca 0.46 -0.87 -0.04 0.00 -2.44 0.00 0.00 57.07 54.18 2qjx s TYR 115 Cb -0.15 -1.67 0.15 0.00 0.35 0.00 0.00 41.96 40.64 2qjx s TYR 115 CO 0.20 -0.31 0.41 0.34 -1.34 0.00 0.00 175.55 174.85 2qjx s ASP 116 N 0.11 5.41 0.25 4.32 -1.08 -1.26 -4.96 116.67 119.47 2qjx s ASP 116 Ca -0.12 -2.60 -0.05 0.00 -0.52 0.00 0.00 52.55 49.27 2qjx s ASP 116 Cb -0.16 -1.89 0.34 0.00 -1.46 0.00 0.00 42.92 39.75 2qjx s ASP 116 CO 0.06 -0.45 1.87 1.55 0.52 0.00 0.00 175.17 178.73 2qjx h PRO 117 N 7.42 1.07 -0.07 4.34 0.13 -1.90 -1.78 132.00 141.21 2qjx h PRO 117 Ca -0.05 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2qjx h PRO 117 Cb 0.99 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2qjx h PRO 117 CO 0.73 0.71 0.02 -0.44 -0.23 0.00 0.00 178.00 178.79 2qjx h ASP 118 N 1.10 0.11 -0.75 1.44 3.32 -1.93 -2.52 116.42 117.19 2qjx h ASP 118 Ca 0.39 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2qjx h ASP 118 Cb 0.12 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 2qjx h ASP 118 CO -0.16 0.30 0.34 0.00 -1.72 0.00 0.00 179.24 178.01 2qjx h ALA 119 N 0.81 1.16 0.00 3.45 0.00 -1.92 0.20 119.26 122.96 2qjx h ALA 119 Ca 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2qjx h ALA 119 Cb 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qjx h ALA 119 CO -0.00 0.62 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 2qjx h ARG 120 N 1.10 0.00 -0.41 0.00 2.47 -1.20 -1.51 114.38 114.82 2qjx h ARG 120 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2qjx h ARG 120 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2qjx h ARG 120 CO -0.03 0.12 0.00 0.54 0.56 0.00 0.00 179.97 181.16 2qjx n ARG 121 N -3.85 2.30 -3.51 0.04 1.74 -0.80 -4.70 116.66 107.89 2qjx n ARG 121 Ca -0.02 -1.99 -0.25 0.00 -0.77 0.00 0.00 57.85 54.82 2qjx n ARG 121 Cb 0.22 -1.47 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 2qjx n ARG 121 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qjx n LYS 122 N 1.17 -6.00 -2.78 5.56 5.02 -0.57 -2.36 118.16 118.19 2qjx n LYS 122 Ca 0.19 0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 57.02 2qjx n LYS 122 Cb 0.51 -5.67 0.02 0.00 -0.02 0.00 0.00 35.03 29.87 2qjx n LYS 122 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2qjx n TYR 123 N -4.68 -1.58 1.32 2.13 4.02 0.64 -5.02 117.16 114.00 2qjx n TYR 123 Ca -0.01 0.34 0.13 0.00 -0.01 0.00 0.00 57.90 58.34 2qjx n TYR 123 Cb 0.56 -4.21 0.38 0.00 -0.02 0.00 0.00 39.34 36.05 2qjx n TYR 123 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39