#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qar n SER 15 N 0.00 0.42 -3.00 0.00 7.64 -1.26 -4.76 113.62 112.66 2qar n SER 15 Ca 0.00 -2.99 -0.14 0.00 1.01 0.00 0.00 58.87 56.75 2qar n SER 15 Cb 0.00 -0.18 0.07 0.00 -1.01 0.00 0.00 64.21 63.09 2qar n SER 15 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2qar n ILE 16 N 0.15 -5.61 -2.74 0.44 2.08 -1.26 -4.59 119.36 107.84 2qar n ILE 16 Ca 0.17 -0.57 -0.09 0.00 0.56 0.00 0.00 62.75 62.81 2qar n ILE 16 Cb 0.72 -4.88 -0.01 0.00 -0.75 0.00 0.00 39.64 34.72 2qar n ILE 16 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2qar n ARG 17 N -3.44 -2.65 -3.74 0.38 1.74 -1.26 -5.11 116.66 102.58 2qar n ARG 17 Ca -0.20 0.23 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 2qar n ARG 17 Cb 0.63 -4.79 -0.13 0.00 -1.02 0.00 0.00 32.46 27.15 2qar n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qar s LEU 18 N -5.52 0.50 0.37 0.55 1.02 -1.26 -4.82 118.68 109.54 2qar s LEU 18 Ca 0.11 0.55 -0.28 0.00 0.02 0.00 0.00 54.13 54.53 2qar s LEU 18 Cb -0.06 0.81 -0.10 0.00 0.02 0.00 0.00 46.19 46.85 2qar s LEU 18 CO 0.14 -0.15 1.41 -2.16 0.02 0.00 0.00 176.35 175.60 2qar s PRO 19 N 1.04 4.12 0.11 1.29 0.04 -1.26 -4.95 135.00 135.38 2qar s PRO 19 Ca -0.07 2.41 0.17 0.00 0.04 0.00 0.00 61.00 63.55 2qar s PRO 19 Cb -0.08 -2.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 2qar s PRO 19 CO -0.07 -0.46 0.94 0.00 0.04 0.00 0.00 177.00 177.45 2qar h ALA 20 N 3.00 0.64 0.00 8.56 0.00 -2.01 -3.38 119.26 126.08 2qar h ALA 20 Ca -0.50 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2qar h ALA 20 Cb 1.24 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2qar h ALA 20 CO 0.64 0.77 0.00 0.72 0.00 0.00 0.00 179.25 181.38 2qar n HIS 21 N -2.92 0.00 -4.14 0.00 8.25 -1.26 -5.00 115.22 110.16 2qar n HIS 21 Ca -0.07 -0.44 -0.30 0.00 -0.26 0.00 0.00 57.72 56.65 2qar n HIS 21 Cb 0.79 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.78 2qar n HIS 21 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qar s LEU 22 N -0.87 3.50 0.45 2.41 1.43 -1.26 -5.10 118.68 119.23 2qar s LEU 22 Ca 0.00 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 2qar s LEU 22 Cb 0.00 -2.21 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 2qar s LEU 22 CO 0.00 0.18 1.39 0.54 0.23 0.00 0.00 176.35 178.69 2qar n ARG 23 N 0.63 2.14 -0.03 1.70 1.74 -1.26 -4.89 116.66 116.70 2qar n ARG 23 Ca -0.11 0.76 0.11 0.00 -0.77 0.00 0.00 57.85 57.84 2qar n ARG 23 Cb 0.52 -2.57 0.52 0.00 -1.02 0.00 0.00 32.46 29.92 2qar n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qar n LEU 24 N -0.12 0.67 -4.13 0.55 4.77 -1.26 -4.46 117.00 113.02 2qar n LEU 24 Ca 0.06 -0.27 -0.37 0.00 -0.03 0.00 0.00 56.01 55.40 2qar n LEU 24 Cb 0.41 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 2qar n LEU 24 CO 0.59 0.13 -0.10 -1.10 -1.33 0.00 0.00 177.39 175.58 2qar s GLN 25 N -1.93 2.19 0.61 3.23 -0.21 -1.26 -4.57 119.66 117.72 2qar s GLN 25 Ca 0.32 -1.98 0.29 0.00 0.02 0.00 0.00 55.36 54.01 2qar s GLN 25 Cb 0.16 -3.66 1.58 0.00 1.00 0.00 0.00 33.01 32.09 2qar s GLN 25 CO 0.25 -1.11 1.97 -1.35 -2.12 0.00 0.00 175.29 172.93 2qar h PRO 26 N 7.86 0.00 0.00 2.91 0.11 -1.95 -2.10 132.00 138.83 2qar h PRO 26 Ca -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 2qar h PRO 26 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2qar h PRO 26 CO 0.72 0.00 -0.00 0.97 -0.21 0.00 0.00 178.00 179.48 2qar h ILE 27 N 0.00 0.07 -0.01 4.15 2.10 -1.94 -1.16 117.51 120.73 2qar h ILE 27 Ca 0.13 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 66.01 2qar h ILE 27 Cb 0.85 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 2qar h ILE 27 CO -0.00 0.00 -0.46 -1.22 -1.08 0.00 0.00 178.15 175.40 2qar n TYR 28 N -3.18 0.00 -2.07 2.19 4.02 -0.79 -4.17 117.16 113.16 2qar n TYR 28 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 2qar n TYR 28 Cb 0.09 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2qar n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2qar s TRP 29 N -2.65 2.80 1.04 -0.72 0.51 -0.44 -4.92 118.94 114.57 2qar s TRP 29 Ca 0.18 0.64 -0.15 0.00 -2.12 0.00 0.00 56.10 54.66 2qar s TRP 29 Cb 0.18 -3.81 0.21 0.00 -0.81 0.00 0.00 33.47 29.24 2qar s TRP 29 CO 0.61 -3.07 1.13 -1.54 -0.51 0.00 0.00 176.95 173.58 2qar s SER 30 N 1.83 2.31 0.36 2.95 1.04 -1.26 -0.89 113.70 120.03 2qar s SER 30 Ca 0.68 0.86 0.07 0.00 0.48 0.00 0.00 55.95 58.04 2qar s SER 30 Cb -0.37 -1.31 0.75 0.00 0.10 0.00 0.00 66.02 65.19 2qar s SER 30 CO 0.30 -3.29 1.93 -0.09 0.98 0.00 0.00 173.24 173.08 2qar h ARG 31 N -2.00 0.73 -0.37 4.02 2.43 -1.92 -1.63 114.38 115.63 2qar h ARG 31 Ca -0.50 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.47 2qar h ARG 31 Cb 1.31 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2qar h ARG 31 CO 0.50 0.48 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.61 2qar h ASP 32 N 0.75 0.95 -0.63 -3.80 5.19 -1.92 -2.77 116.42 114.19 2qar h ASP 32 Ca 0.35 -0.43 -0.03 0.00 -0.62 0.00 0.00 57.03 56.30 2qar h ASP 32 Cb 0.38 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 2qar h ASP 32 CO -0.13 1.22 0.30 0.44 -3.12 0.00 0.00 179.24 177.95 2qar h ASP 33 N 0.73 0.85 -0.64 6.45 3.32 -1.76 -1.50 116.42 123.87 2qar h ASP 33 Ca 0.06 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 2qar h ASP 33 Cb 0.97 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 2qar h ASP 33 CO 0.09 0.73 0.15 0.58 -1.72 0.00 0.00 179.24 179.07 2qar h VAL 34 N 0.93 1.26 -0.38 -1.35 2.07 -1.25 -1.65 116.25 115.88 2qar h VAL 34 Ca 0.23 -0.96 -0.12 0.00 0.82 0.00 0.00 66.70 66.67 2qar h VAL 34 Cb 0.12 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2qar h VAL 34 CO -0.03 0.36 -0.24 0.00 0.02 0.00 0.00 177.57 177.68 2qar h ALA 35 N 1.15 0.87 -0.14 1.67 0.00 -1.15 -2.56 119.26 119.10 2qar h ALA 35 Ca 0.21 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2qar h ALA 35 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qar h ALA 35 CO 0.00 0.63 -0.51 1.96 0.00 0.00 0.00 179.25 181.33 2qar h GLN 36 N 0.66 0.38 -0.67 0.00 1.08 -1.16 -2.31 115.11 113.09 2qar h GLN 36 Ca 0.09 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 2qar h GLN 36 Cb 0.75 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 2qar h GLN 36 CO 0.06 0.80 0.25 2.35 -0.95 0.00 0.00 178.83 181.34 2qar h TRP 37 N 0.30 1.01 -0.43 2.96 7.01 -1.16 0.12 115.95 125.76 2qar h TRP 37 Ca 0.01 -0.07 -0.14 0.00 2.11 0.00 0.00 58.89 60.80 2qar h TRP 37 Cb 1.00 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 2qar h TRP 37 CO 0.03 0.79 -0.28 -0.07 -2.79 0.00 0.00 178.44 176.11 2qar h LEU 38 N 0.97 0.97 -0.30 0.65 3.38 -1.34 -0.28 115.31 119.37 2qar h LEU 38 Ca 0.22 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2qar h LEU 38 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2qar h LEU 38 CO -0.02 1.18 -0.00 0.50 0.09 0.00 0.00 178.44 180.20 2qar h LYS 39 N 0.79 0.53 -0.55 1.13 3.64 -1.07 -0.64 116.57 120.39 2qar h LYS 39 Ca 0.09 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2qar h LYS 39 Cb 0.86 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 2qar h LYS 39 CO 0.08 0.67 0.26 2.35 -2.27 0.00 0.00 179.45 180.53 2qar h TRP 40 N 0.32 0.80 -0.18 1.91 7.01 -0.76 -2.99 115.95 122.07 2qar h TRP 40 Ca 0.08 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.04 2qar h TRP 40 Cb 0.43 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2qar h TRP 40 CO 0.04 0.63 0.12 0.00 -2.79 0.00 0.00 178.44 176.43 2qar h ALA 41 N 1.09 0.23 -0.59 2.65 0.00 -0.81 0.75 119.26 122.59 2qar h ALA 41 Ca 0.19 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2qar h ALA 41 Cb 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2qar h ALA 41 CO -0.02 -0.29 0.29 1.49 0.00 0.00 0.00 179.25 180.71 2qar h GLU 42 N 0.24 0.52 -0.03 0.00 4.81 -1.10 -0.76 114.58 118.26 2qar h GLU 42 Ca 0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2qar h GLU 42 Cb -0.03 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2qar h GLU 42 CO -0.02 0.34 -0.07 -0.91 -0.73 0.00 0.00 179.01 177.63 2qar h ASN 43 N 0.54 0.12 -0.20 1.04 -0.26 -1.36 -1.44 115.58 114.02 2qar h ASN 43 Ca 0.27 -0.57 -0.02 0.00 -0.56 0.00 0.00 56.30 55.42 2qar h ASN 43 Cb 0.22 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 2qar h ASN 43 CO -0.20 0.67 0.06 -0.08 -1.06 0.00 0.00 177.43 176.81 2qar h GLU 44 N -0.43 0.39 -0.21 0.81 4.57 -0.70 -3.16 114.58 115.84 2qar h GLU 44 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2qar h GLU 44 Cb 0.65 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2qar h GLU 44 CO 0.02 0.37 0.00 1.19 -1.18 0.00 0.00 179.01 179.40 2qar n PHE 45 N -4.38 0.28 -3.90 0.92 3.01 -0.30 -4.99 117.46 108.09 2qar n PHE 45 Ca 0.01 -0.46 -0.29 0.00 1.01 0.00 0.00 57.45 57.72 2qar n PHE 45 Cb 0.16 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.63 2qar n PHE 45 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2qar n SER 46 N 0.19 -4.07 -4.89 4.37 7.64 -0.73 -4.96 113.62 111.17 2qar n SER 46 Ca 0.07 -0.80 -0.29 0.00 1.01 0.00 0.00 58.87 58.86 2qar n SER 46 Cb 0.35 -3.83 0.04 0.00 -1.01 0.00 0.00 64.21 59.76 2qar n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qar s LEU 47 N -7.19 3.07 0.67 -3.43 1.43 -0.62 -5.04 118.68 107.56 2qar s LEU 47 Ca 0.55 1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 54.50 2qar s LEU 47 Cb -0.28 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.09 2qar s LEU 47 CO 0.83 -1.18 1.25 -0.44 0.23 0.00 0.00 176.35 177.04 2qar s SER 48 N -4.31 4.55 0.22 2.29 0.01 -1.26 -4.88 113.70 110.31 2qar s SER 48 Ca 0.56 2.48 -0.32 0.00 1.31 0.00 0.00 55.95 59.98 2qar s SER 48 Cb -0.11 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.39 2qar s SER 48 CO 0.50 -2.03 1.59 -2.65 0.41 0.00 0.00 173.24 171.05 2qar n PRO 49 N -2.16 2.42 -3.84 12.44 -0.02 -1.26 -4.95 135.00 137.63 2qar n PRO 49 Ca 0.15 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 62.13 2qar n PRO 49 Cb 0.49 -2.64 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 2qar n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qar s ILE 50 N 0.61 4.52 0.16 4.25 1.01 -1.26 -5.07 121.20 125.41 2qar s ILE 50 Ca 0.73 -0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.95 2qar s ILE 50 Cb -0.59 -3.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 2qar s ILE 50 CO 0.41 0.37 1.50 -0.62 0.00 0.00 0.00 174.94 176.60 2qar s ASP 51 N 1.25 6.66 0.47 3.58 -1.08 -1.26 -4.90 116.67 121.39 2qar s ASP 51 Ca 0.05 2.53 0.20 0.00 -0.52 0.00 0.00 52.55 54.81 2qar s ASP 51 Cb -0.14 -2.59 1.19 0.00 -1.46 0.00 0.00 42.92 39.91 2qar s ASP 51 CO 0.04 -0.76 1.94 0.77 0.52 0.00 0.00 175.17 177.67 2qar h SER 52 N 6.65 0.24 -0.47 -0.34 4.64 -1.97 -1.86 113.55 120.44 2qar h SER 52 Ca -0.43 0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 60.66 2qar h SER 52 Cb 1.21 -0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 2qar h SER 52 CO 0.89 0.12 0.32 0.59 -0.87 0.00 0.00 176.83 177.88 2qar n ASN 53 N -4.43 3.62 0.04 4.97 3.02 -1.26 -4.02 115.26 117.20 2qar n ASN 53 Ca 0.14 -2.78 -0.01 0.00 -0.03 0.00 0.00 54.58 51.89 2qar n ASN 53 Cb 0.60 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.99 2qar n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2qar h THR 54 N 0.52 0.70 -2.17 3.41 1.35 -1.71 -3.39 112.91 111.61 2qar h THR 54 Ca 0.30 -2.24 -0.58 0.00 -0.55 0.00 0.00 66.41 63.34 2qar h THR 54 Cb 1.80 2.21 -0.40 0.00 -1.73 0.00 0.00 68.15 70.03 2qar h THR 54 CO 0.54 0.40 -0.88 0.49 -0.25 0.00 0.00 175.52 175.82 2qar n PHE 55 N -3.00 1.23 -2.14 4.73 3.01 -1.26 -4.93 117.46 115.10 2qar n PHE 55 Ca -0.08 -3.80 -0.38 0.00 1.01 0.00 0.00 57.45 54.20 2qar n PHE 55 Cb 0.86 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 2qar n PHE 55 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qar n GLU 56 N 1.38 2.44 -3.57 -1.08 1.02 -1.26 -4.79 120.64 114.78 2qar n GLU 56 Ca 0.25 -2.77 -0.05 0.00 -0.02 0.00 0.00 57.16 54.57 2qar n GLU 56 Cb 0.47 -3.48 -0.02 0.00 -0.02 0.00 0.00 31.44 28.39 2qar n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qar s MET 57 N 4.91 0.46 0.75 3.49 0.23 -1.26 -5.12 119.30 122.76 2qar s MET 57 Ca 0.58 -0.17 -0.10 0.00 -1.03 0.00 0.00 55.69 54.97 2qar s MET 57 Cb 0.05 0.21 0.17 0.00 -1.53 0.00 0.00 34.83 33.73 2qar s MET 57 CO 0.08 -0.20 1.02 0.27 -2.03 0.00 0.00 175.02 174.16 2qar n ASN 58 N -0.14 0.35 -0.03 -1.18 0.23 -1.26 -4.26 115.26 108.97 2qar n ASN 58 Ca -0.02 -1.54 -0.03 0.00 -0.53 0.00 0.00 54.58 52.46 2qar n ASN 58 Cb 0.59 -0.75 0.21 0.00 -2.08 0.00 0.00 39.78 37.75 2qar n ASN 58 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2qar h GLY 59 N -1.18 0.65 0.65 4.83 0.00 -1.14 -1.38 103.07 105.49 2qar h GLY 59 Ca -0.33 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 46.59 2qar h GLY 59 CO 0.26 0.43 0.15 0.50 0.00 0.00 0.00 176.54 177.88 2qar h LYS 60 N 0.55 0.32 -0.47 4.80 1.57 -1.73 -1.05 116.57 120.56 2qar h LYS 60 Ca 0.10 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 2qar h LYS 60 Cb 0.52 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2qar h LYS 60 CO 0.03 0.21 -0.15 0.00 -0.57 0.00 0.00 179.45 178.97 2qar h ALA 61 N 1.26 0.84 -0.66 3.86 0.00 -1.88 -2.96 119.26 119.73 2qar h ALA 61 Ca 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qar h ALA 61 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2qar h ALA 61 CO -0.19 0.65 0.43 1.25 0.00 0.00 0.00 179.25 181.39 2qar h LEU 62 N 0.80 0.76 -0.13 0.00 5.85 -0.82 -1.97 115.31 119.80 2qar h LEU 62 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2qar h LEU 62 Cb 0.68 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2qar h LEU 62 CO 0.05 0.55 0.00 0.18 -0.34 0.00 0.00 178.44 178.88 2qar n LEU 63 N -4.43 0.30 0.06 2.25 4.77 -0.44 -2.87 117.00 116.63 2qar n LEU 63 Ca 0.07 0.55 -0.00 0.00 -0.03 0.00 0.00 56.01 56.59 2qar n LEU 63 Cb 0.04 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2qar n LEU 63 CO 0.36 -0.21 -0.04 -0.07 -1.33 0.00 0.00 177.39 176.10 2qar h LEU 64 N 0.00 0.00-10.06 2.23 3.38 -1.35 -3.48 115.31 106.04 2qar h LEU 64 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2qar h LEU 64 Cb 0.45 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.32 2qar h LEU 64 CO 0.00 0.62 0.54 -0.76 0.09 0.00 0.00 178.44 178.93 2qar s LEU 65 N -6.09 3.81 0.53 1.67 1.43 -1.14 -5.04 118.68 113.85 2qar s LEU 65 Ca -0.01 2.56 -0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2qar s LEU 65 Cb 0.08 -4.39 0.02 0.00 0.03 0.00 0.00 46.19 41.94 2qar s LEU 65 CO 0.79 -1.49 0.77 0.42 0.23 0.00 0.00 176.35 177.08 2qar s THR 66 N -1.44 3.19 0.35 5.49 -4.23 -1.26 -4.95 115.64 112.79 2qar s THR 66 Ca 0.73 -0.51 0.07 0.00 -1.18 0.00 0.00 61.69 60.80 2qar s THR 66 Cb -0.35 -3.21 0.31 0.00 1.34 0.00 0.00 72.50 70.59 2qar s THR 66 CO 0.40 -0.16 1.89 0.50 -0.54 0.00 0.00 174.62 176.71 2qar h LYS 67 N 0.10 0.72 -0.08 3.99 3.64 -1.96 -1.30 116.57 121.68 2qar h LYS 67 Ca -0.44 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 2qar h LYS 67 Cb 1.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2qar h LYS 67 CO 0.55 0.48 -0.35 0.93 -2.27 0.00 0.00 179.45 178.79 2qar h GLU 68 N 0.75 0.16 -0.22 1.90 3.07 -1.97 -1.58 114.58 116.69 2qar h GLU 68 Ca 0.42 -0.07 -0.21 0.00 -0.50 0.00 0.00 59.36 59.00 2qar h GLU 68 Cb 0.57 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.48 2qar h GLU 68 CO -0.18 0.50 -0.67 -0.44 -1.40 0.00 0.00 179.01 176.82 2qar h ASP 69 N 0.14 0.96 -0.60 1.42 3.32 -1.65 -2.02 116.42 118.01 2qar h ASP 69 Ca 0.02 -0.58 0.04 0.00 0.02 0.00 0.00 57.03 56.52 2qar h ASP 69 Cb 0.69 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2qar h ASP 69 CO 0.05 1.38 0.35 -0.26 -1.72 0.00 0.00 179.24 179.04 2qar h PHE 70 N 0.60 0.65 -0.46 4.55 -1.00 -1.12 -1.95 116.94 118.21 2qar h PHE 70 Ca -0.02 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 2qar h PHE 70 Cb 1.29 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.62 2qar h PHE 70 CO 0.08 0.35 -0.01 0.00 -1.61 0.00 0.00 178.31 177.13 2qar h ARG 71 N 0.68 0.75 -0.53 1.51 3.08 -1.24 0.16 114.38 118.79 2qar h ARG 71 Ca 0.25 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 2qar h ARG 71 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2qar h ARG 71 CO -0.12 0.77 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.53 2qar h TYR 72 N 0.70 1.09 0.08 3.04 5.03 -1.11 -2.26 116.97 123.54 2qar h TYR 72 Ca 0.14 -0.21 -0.25 0.00 2.58 0.00 0.00 58.73 60.99 2qar h TYR 72 Cb 0.44 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.45 2qar h TYR 72 CO 0.02 1.01 -1.11 0.00 -1.32 0.00 0.00 178.16 176.76 2qar h ARG 73 N 0.88 0.27 -2.75 1.82 3.08 -1.05 -3.40 114.38 113.23 2qar h ARG 73 Ca 0.14 -0.39 -0.59 0.00 0.07 0.00 0.00 59.98 59.21 2qar h ARG 73 Cb 0.64 0.14 -0.39 0.00 0.08 0.00 0.00 29.97 30.43 2qar h ARG 73 CO 0.04 1.14 -0.81 0.45 -1.07 0.00 0.00 179.97 179.73 2qar s SER 74 N -7.07 3.18 0.34 7.04 0.15 0.52 -4.97 113.70 112.89 2qar s SER 74 Ca -0.04 -2.46 0.05 0.00 0.70 0.00 0.00 55.95 54.20 2qar s SER 74 Cb 0.08 -0.69 0.68 0.00 -1.71 0.00 0.00 66.02 64.38 2qar s SER 74 CO 0.87 -0.28 1.92 -0.65 1.20 0.00 0.00 173.24 176.30 2qar h PRO 75 N 6.78 0.82 0.07 5.44 0.11 -1.64 0.46 132.00 144.04 2qar h PRO 75 Ca 0.05 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.86 2qar h PRO 75 Cb 0.94 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2qar h PRO 75 CO 0.37 0.54 -1.11 0.45 -0.21 0.00 0.00 178.00 178.04 2qar h HIS 76 N 0.85 0.34 0.00 0.65 3.86 -1.95 -3.41 115.15 115.49 2qar h HIS 76 Ca 0.38 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2qar h HIS 76 Cb 0.35 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2qar h HIS 76 CO -0.00 1.16 0.00 0.43 0.86 0.00 0.00 177.93 180.38 2qar n SER 77 N -3.51 0.24 -0.02 2.45 7.64 -1.14 -4.91 113.62 114.36 2qar n SER 77 Ca -0.05 -0.66 -0.09 0.00 1.01 0.00 0.00 58.87 59.07 2qar n SER 77 Cb 0.96 0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 64.32 2qar n SER 77 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2qar h GLY 78 N 0.00 -0.04 0.84 0.23 0.00 -0.26 -0.55 103.07 103.29 2qar h GLY 78 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.55 2qar h GLY 78 CO 0.00 -0.15 0.48 1.29 0.00 0.00 0.00 176.54 178.16 2qar h ASP 79 N -0.17 0.78 -0.36 0.19 -0.00 -1.83 -1.29 116.42 113.74 2qar h ASP 79 Ca 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.19 2qar h ASP 79 Cb 0.32 -0.16 -0.04 0.00 -0.00 0.00 0.00 39.33 39.45 2qar h ASP 79 CO -0.27 0.53 0.09 -0.08 -0.00 0.00 0.00 179.24 179.52 2qar h GLU 80 N 0.92 0.22 -0.52 4.15 4.22 -1.69 -1.49 114.58 120.40 2qar h GLU 80 Ca 0.31 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.65 2qar h GLU 80 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2qar h GLU 80 CO -0.13 0.15 -0.04 -0.07 -2.18 0.00 0.00 179.01 176.73 2qar h LEU 81 N 0.23 0.89 -0.11 1.64 3.38 -0.75 0.58 115.31 121.16 2qar h LEU 81 Ca 0.17 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qar h LEU 81 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qar h LEU 81 CO -0.20 0.98 0.06 0.22 0.09 0.00 0.00 178.44 179.59 2qar h TYR 82 N 0.83 0.16 -0.17 1.13 3.20 -0.97 0.65 116.97 121.80 2qar h TYR 82 Ca 0.15 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 2qar h TYR 82 Cb 0.55 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2qar h TYR 82 CO 0.03 0.20 -0.30 0.93 -1.64 0.00 0.00 178.16 177.39 2qar h GLU 83 N 0.07 0.33 -0.59 1.82 4.39 -1.09 -0.88 114.58 118.63 2qar h GLU 83 Ca 0.04 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2qar h GLU 83 Cb 0.10 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2qar h GLU 83 CO -0.01 0.60 0.28 1.25 -1.16 0.00 0.00 179.01 179.98 2qar h LEU 84 N 0.29 0.77 -0.77 1.33 5.85 -0.70 -0.01 115.31 122.06 2qar h LEU 84 Ca 0.04 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2qar h LEU 84 Cb 0.68 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2qar h LEU 84 CO 0.05 0.68 0.31 0.25 -0.34 0.00 0.00 178.44 179.39 2qar h LEU 85 N 0.80 1.07 -0.63 2.25 5.85 -0.28 -1.99 115.31 122.38 2qar h LEU 85 Ca 0.20 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 2qar h LEU 85 Cb 0.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2qar h LEU 85 CO -0.03 0.95 0.07 1.56 -0.34 0.00 0.00 178.44 180.66 2qar h GLN 86 N 1.12 1.07 -0.66 1.25 1.08 -0.98 -2.56 115.11 115.44 2qar h GLN 86 Ca 0.26 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2qar h GLN 86 Cb 0.22 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 2qar h GLN 86 CO -0.02 1.01 0.41 1.25 -0.95 0.00 0.00 178.83 180.53 2qar h HIS 87 N 0.98 0.78 -0.36 2.96 2.76 -0.79 -0.71 115.15 120.76 2qar h HIS 87 Ca 0.19 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2qar h HIS 87 Cb 0.48 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 2qar h HIS 87 CO 0.04 0.46 0.03 0.82 -1.30 0.00 0.00 177.93 177.98 2qar h ILE 88 N 0.82 1.19 -0.03 6.26 2.04 -1.20 -2.80 117.51 123.79 2qar h ILE 88 Ca 0.26 -0.73 -0.21 0.00 1.00 0.00 0.00 64.86 65.18 2qar h ILE 88 Cb -0.01 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2qar h ILE 88 CO -0.09 0.26 -0.86 -0.07 0.00 0.00 0.00 178.15 177.38 2qar h LEU 89 N 0.53 0.51 -0.64 1.44 3.38 -1.01 -2.67 115.31 116.85 2qar h LEU 89 Ca 0.12 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2qar h LEU 89 Cb 0.29 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2qar h LEU 89 CO 0.01 1.16 0.38 0.50 0.09 0.00 0.00 178.44 180.58 2qar h LYS 90 N 0.25 0.88 -3.70 1.13 3.64 -0.95 -3.38 116.57 114.43 2qar h LYS 90 Ca -0.06 -0.08 -0.55 0.00 -1.27 0.00 0.00 60.65 58.69 2qar h LYS 90 Cb 1.48 -0.18 -0.40 0.00 -0.41 0.00 0.00 32.23 32.72 2qar h LYS 90 CO 0.15 0.63 -0.77 1.14 -2.27 0.00 0.00 179.45 178.33 2qar s GLN 91 N -5.97 0.85 0.33 1.90 -2.07 -1.07 -4.24 119.66 109.39 2qar s GLN 91 Ca -0.13 -0.69 0.07 0.00 -1.82 0.00 0.00 55.36 52.79 2qar s GLN 91 Cb 0.14 -2.17 -0.01 0.00 -1.09 0.00 0.00 33.01 29.87 2qar s GLN 91 CO 0.77 -0.72 0.43 -0.98 -1.32 0.00 0.00 175.29 173.48 2qar s ARG 92 N 1.71 3.07 0.77 9.60 1.70 -1.01 -4.50 118.95 130.30 2qar s ARG 92 Ca 0.01 -1.04 -0.13 0.00 -0.47 0.00 0.00 55.73 54.09 2qar s ARG 92 Cb -0.17 -2.77 0.06 0.00 -0.57 0.00 0.00 34.95 31.50 2qar s ARG 92 CO -0.12 0.09 1.17 -1.25 -1.08 0.00 0.00 175.30 174.12 2qar s PRO 93 N -4.13 1.94 0.00 3.89 0.04 -1.26 -4.72 135.00 130.76 2qar s PRO 93 Ca 0.44 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2qar s PRO 93 Cb -0.09 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2qar s PRO 93 CO 0.30 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.79 2qar n GLY 94 N 0.10 0.00 0.00 0.56 0.00 -1.26 -5.09 105.19 99.50 2qar n GLY 94 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qar n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qar n GLY 95 N 2.27 -0.79 0.00 -0.02 0.00 -1.26 -5.02 105.19 100.36 2qar n GLY 95 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2qar n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qar n GLY 96 N 3.14 1.40 0.00 -0.02 0.00 -1.26 -5.02 105.19 103.43 2qar n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qar n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qar n GLY 97 N 2.48 3.28 2.24 -0.02 0.00 -1.26 -4.73 105.19 107.18 2qar n GLY 97 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 2qar n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qar n SER 98 N 0.00 6.23 0.00 1.61 7.64 -1.26 -5.19 113.62 122.65 2qar n SER 98 Ca 0.00 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.14 2qar n SER 98 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2qar n SER 98 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44