#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqc h ILE 3 N 0.00 0.90 -0.32 5.18 6.09 -2.02 -1.68 117.51 125.66 1kqc h ILE 3 Ca 0.00 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 63.35 1kqc h ILE 3 Cb 0.00 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 38.27 1kqc h ILE 3 CO 0.00 0.00 -0.38 0.40 -3.07 0.00 0.00 178.15 175.10 1kqc h ILE 4 N 0.00 1.29 -0.52 2.19 1.08 -2.04 -1.24 117.51 118.26 1kqc h ILE 4 Ca 0.01 -1.55 -0.05 0.00 -0.39 0.00 0.00 64.86 62.88 1kqc h ILE 4 Cb 0.06 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1kqc h ILE 4 CO -0.00 0.51 0.11 0.28 -0.69 0.00 0.00 178.15 178.36 1kqc h SER 5 N 0.62 0.74 -0.42 1.72 0.02 -1.74 -0.83 113.55 113.66 1kqc h SER 5 Ca 0.05 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1kqc h SER 5 Cb 0.93 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1kqc h SER 5 CO 0.09 0.74 0.15 0.58 -1.14 0.00 0.00 176.83 177.24 1kqc h VAL 6 N 0.77 1.21 -0.46 2.27 2.07 -1.05 -0.32 116.25 120.74 1kqc h VAL 6 Ca 0.17 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1kqc h VAL 6 Cb 0.30 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1kqc h VAL 6 CO -0.00 0.24 0.13 0.00 0.02 0.00 0.00 177.57 177.96 1kqc h ALA 7 N 0.99 1.36 0.00 1.67 0.00 -0.67 0.34 119.26 122.94 1kqc h ALA 7 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kqc h ALA 7 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1kqc h ALA 7 CO -0.01 0.47 -0.02 1.28 0.00 0.00 0.00 179.25 180.97 1kqc n LEU 8 N -4.31 0.58 -0.05 0.00 4.77 -0.37 -4.22 117.00 113.40 1kqc n LEU 8 Ca 0.03 0.54 -0.06 0.00 -0.03 0.00 0.00 56.01 56.49 1kqc n LEU 8 Cb 0.20 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1kqc n LEU 8 CO 0.39 -0.13 -0.85 1.17 -1.33 0.00 0.00 177.39 176.65 1kqc n LYS 9 N -2.04 1.50 -1.51 3.23 3.00 -0.16 -4.87 118.16 117.31 1kqc n LYS 9 Ca 0.06 0.03 -0.37 0.00 -0.00 0.00 0.00 58.31 58.03 1kqc n LYS 9 Cb 0.40 -1.24 0.06 0.00 0.00 0.00 0.00 35.03 34.26 1kqc n LYS 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1kqc n ARG 10 N -2.57 0.70 -3.80 1.64 1.85 0.11 -5.00 116.66 109.58 1kqc n ARG 10 Ca -0.18 0.28 -0.10 0.00 -1.00 0.00 0.00 57.85 56.86 1kqc n ARG 10 Cb 0.77 -2.12 -0.05 0.00 -1.05 0.00 0.00 32.46 30.01 1kqc n ARG 10 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1kqc s HIS 11 N -1.64 0.06 -0.55 2.89 -3.43 -1.26 -4.98 115.29 106.38 1kqc s HIS 11 Ca 0.74 -0.42 -0.28 0.00 -0.80 0.00 0.00 55.06 54.30 1kqc s HIS 11 Cb -0.39 0.17 0.03 0.00 -1.43 0.00 0.00 32.58 30.96 1kqc s HIS 11 CO 0.49 -0.77 1.19 -1.12 -2.00 0.00 0.00 174.74 172.52 1kqc s SER 12 N -2.89 6.49 0.17 7.38 0.01 -1.26 -4.46 113.70 119.13 1kqc s SER 12 Ca 0.10 0.21 -0.32 0.00 1.31 0.00 0.00 55.95 57.26 1kqc s SER 12 Cb 0.02 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.59 1kqc s SER 12 CO -0.04 -1.43 1.67 -0.89 0.41 0.00 0.00 173.24 172.95 1kqc s THR 13 N 4.86 2.41 -0.58 1.44 2.01 -0.80 -4.85 115.64 120.12 1kqc s THR 13 Ca 0.45 0.23 0.21 0.00 0.31 0.00 0.00 61.69 62.89 1kqc s THR 13 Cb -0.07 -3.15 -0.28 0.00 0.01 0.00 0.00 72.50 69.01 1kqc s THR 13 CO 0.27 0.01 0.72 0.29 -0.69 0.00 0.00 174.62 175.22 1kqc n LYS 14 N 4.32 0.30 -3.69 4.92 4.76 -1.26 -4.64 118.16 122.87 1kqc n LYS 14 Ca 0.15 -0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 1kqc n LYS 14 Cb 0.37 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.96 1kqc n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kqc s ALA 15 N -3.21 -1.19 0.03 7.82 0.00 -1.26 -4.82 121.76 119.13 1kqc s ALA 15 Ca 0.01 1.62 0.04 0.00 0.00 0.00 0.00 51.96 53.63 1kqc s ALA 15 Cb 0.15 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1kqc s ALA 15 CO 0.88 -0.27 -0.05 -0.06 0.00 0.00 0.00 175.76 176.26 1kqc s PHE 16 N 1.21 2.92 -0.37 0.00 0.40 -1.26 -1.43 117.98 119.45 1kqc s PHE 16 Ca -0.08 -0.03 -0.29 0.00 -0.60 0.00 0.00 56.93 55.93 1kqc s PHE 16 Cb -0.07 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.89 1kqc s PHE 16 CO -0.11 0.42 1.20 0.34 0.70 0.00 0.00 175.22 177.77 1kqc s ASP 17 N -1.72 6.69 0.00 1.36 -1.08 0.50 -4.58 116.67 117.84 1kqc s ASP 17 Ca 0.20 0.89 0.13 0.00 -0.52 0.00 0.00 52.55 53.25 1kqc s ASP 17 Cb -0.11 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.50 1kqc s ASP 17 CO 0.11 -1.12 1.27 0.00 0.52 0.00 0.00 175.17 175.94 1kqc n ALA 18 N 7.63 1.85 0.14 3.66 0.00 -1.25 -2.55 120.51 130.00 1kqc n ALA 18 Ca 0.13 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.61 1kqc n ALA 18 Cb 0.48 -1.21 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 1kqc n ALA 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kqc n SER 19 N -1.16 0.43 -4.56 0.00 3.41 -1.26 -4.89 113.62 105.58 1kqc n SER 19 Ca 0.08 -0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 1kqc n SER 19 Cb 0.08 1.79 -0.07 0.00 -0.26 0.00 0.00 64.21 65.74 1kqc n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kqc s LYS 20 N -3.33 3.60 0.23 4.33 1.02 -1.06 -5.05 119.74 119.48 1kqc s LYS 20 Ca -0.05 -0.05 0.07 0.00 0.02 0.00 0.00 55.97 55.97 1kqc s LYS 20 Cb 0.13 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1kqc s LYS 20 CO 0.84 -0.78 0.12 0.15 -0.92 0.00 0.00 175.35 174.76 1kqc s LYS 21 N 2.70 2.72 0.55 1.68 -0.14 -1.26 -4.46 119.74 121.53 1kqc s LYS 21 Ca 0.24 -1.11 -0.18 0.00 -1.36 0.00 0.00 55.97 53.55 1kqc s LYS 21 Cb -0.14 -2.46 -0.05 0.00 -1.68 0.00 0.00 37.83 33.49 1kqc s LYS 21 CO 0.15 0.41 1.08 -0.51 -0.76 0.00 0.00 175.35 175.73 1kqc s LEU 22 N -3.58 3.68 0.87 3.17 1.43 -1.26 -5.02 118.68 117.97 1kqc s LEU 22 Ca 0.32 2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 1kqc s LEU 22 Cb -0.08 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.69 1kqc s LEU 22 CO 0.23 -1.12 1.13 0.42 0.23 0.00 0.00 176.35 177.24 1kqc s THR 23 N -2.05 2.25 0.34 5.49 -4.23 -1.26 -4.81 115.64 111.36 1kqc s THR 23 Ca 0.68 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 61.30 1kqc s THR 23 Cb -0.19 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 71.00 1kqc s THR 23 CO 0.29 -0.10 1.95 0.00 -0.54 0.00 0.00 174.62 176.21 1kqc h ALA 24 N -1.34 1.46 -0.33 3.99 0.00 -1.99 -1.02 119.26 120.02 1kqc h ALA 24 Ca -0.49 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 1kqc h ALA 24 Cb 1.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1kqc h ALA 24 CO 0.62 0.43 -0.15 1.49 0.00 0.00 0.00 179.25 181.63 1kqc h GLU 25 N 0.72 0.69 -0.52 0.00 4.81 -2.00 -2.31 114.58 115.97 1kqc h GLU 25 Ca 0.18 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1kqc h GLU 25 Cb 0.09 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1kqc h GLU 25 CO -0.02 0.89 0.07 0.93 -0.73 0.00 0.00 179.01 180.15 1kqc h GLU 26 N 0.46 0.83 -0.65 1.92 5.08 -1.80 -0.92 114.58 119.50 1kqc h GLU 26 Ca 0.07 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1kqc h GLU 26 Cb 0.69 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1kqc h GLU 26 CO 0.05 0.79 0.34 0.00 -1.00 0.00 0.00 179.01 179.18 1kqc h ALA 27 N 1.28 0.84 -0.55 3.43 0.00 -1.07 -0.88 119.26 122.31 1kqc h ALA 27 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1kqc h ALA 27 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1kqc h ALA 27 CO 0.01 0.38 0.03 0.93 0.00 0.00 0.00 179.25 180.60 1kqc h GLU 28 N 0.90 0.95 -0.63 0.00 4.39 -0.96 -3.06 114.58 116.17 1kqc h GLU 28 Ca 0.23 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1kqc h GLU 28 Cb 0.08 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1kqc h GLU 28 CO -0.03 0.94 0.10 0.87 -1.16 0.00 0.00 179.01 179.73 1kqc h LYS 29 N 0.83 1.02 0.00 2.33 1.57 -0.67 -1.99 116.57 119.65 1kqc h LYS 29 Ca 0.16 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1kqc h LYS 29 Cb 0.49 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1kqc h LYS 29 CO 0.02 0.94 -0.37 -0.84 -0.57 0.00 0.00 179.45 178.63 1kqc h ILE 30 N 0.96 1.21 -0.11 1.86 3.07 -1.15 -1.72 117.51 121.62 1kqc h ILE 30 Ca 0.19 -1.29 -0.16 0.00 1.55 0.00 0.00 64.86 65.15 1kqc h ILE 30 Cb 0.41 1.71 -0.01 0.00 -0.27 0.00 0.00 36.82 38.66 1kqc h ILE 30 CO 0.01 0.36 -0.63 0.11 -1.05 0.00 0.00 178.15 176.95 1kqc h LYS 31 N 0.00 0.41 -0.71 0.16 1.57 -1.37 -2.54 116.57 114.09 1kqc h LYS 31 Ca -0.00 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 1kqc h LYS 31 Cb 0.68 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1kqc h LYS 31 CO 0.05 0.91 0.20 1.15 -0.57 0.00 0.00 179.45 181.19 1kqc h THR 32 N 0.30 1.26 -0.73 -0.16 2.02 -0.79 -1.46 112.91 113.36 1kqc h THR 32 Ca -0.01 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.25 1kqc h THR 32 Cb 1.17 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1kqc h THR 32 CO 0.11 0.36 0.48 -0.07 0.37 0.00 0.00 175.52 176.77 1kqc h LEU 33 N 1.06 0.84 -0.39 2.58 3.38 -1.16 -0.30 115.31 121.32 1kqc h LEU 33 Ca 0.23 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1kqc h LEU 33 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1kqc h LEU 33 CO -0.00 0.61 0.14 -0.07 0.09 0.00 0.00 178.44 179.21 1kqc h LEU 34 N 0.98 0.54 -0.41 1.67 3.38 -1.09 -3.14 115.31 117.25 1kqc h LEU 34 Ca 0.27 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1kqc h LEU 34 Cb -0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1kqc h LEU 34 CO -0.06 0.58 -0.07 -0.61 0.09 0.00 0.00 178.44 178.37 1kqc h GLN 35 N 0.48 0.78 -0.36 1.13 4.15 -0.90 -3.30 115.11 117.09 1kqc h GLN 35 Ca 0.13 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1kqc h GLN 35 Cb 0.21 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1kqc h GLN 35 CO -0.01 0.89 0.00 0.66 -1.93 0.00 0.00 178.83 178.44 1kqc n TYR 36 N -4.35 0.47 -1.97 3.99 4.02 -0.16 -4.92 117.16 114.25 1kqc n TYR 36 Ca -0.01 -0.23 -0.38 0.00 -0.01 0.00 0.00 57.90 57.27 1kqc n TYR 36 Cb 0.34 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.67 1kqc n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kqc s SER 37 N -0.97 5.65 0.91 7.72 0.15 -1.19 -5.00 113.70 120.98 1kqc s SER 37 Ca 0.22 2.59 -0.14 0.00 0.70 0.00 0.00 55.95 59.33 1kqc s SER 37 Cb 0.12 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 1kqc s SER 37 CO 0.15 -1.29 1.21 -2.16 1.20 0.00 0.00 173.24 172.34 1kqc s PRO 38 N -2.79 1.15 -0.07 5.44 0.04 -1.26 -5.00 135.00 132.51 1kqc s PRO 38 Ca 0.68 -0.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 1kqc s PRO 38 Cb -0.36 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.42 1kqc s PRO 38 CO 0.43 -2.13 0.89 -1.54 0.04 0.00 0.00 177.00 174.69 1kqc s SER 39 N -4.49 -0.42 -0.00 6.66 1.04 -1.26 -4.77 113.70 110.46 1kqc s SER 39 Ca 0.67 0.27 -0.34 0.00 0.48 0.00 0.00 55.95 57.03 1kqc s SER 39 Cb -0.10 0.38 -0.13 0.00 0.10 0.00 0.00 66.02 66.28 1kqc s SER 39 CO 0.52 -0.52 1.74 -0.24 0.98 0.00 0.00 173.24 175.72 1kqc n SER 40 N 0.33 3.19 -1.46 7.02 2.88 -1.26 -0.17 113.62 124.15 1kqc n SER 40 Ca -0.11 1.02 -0.18 0.00 -1.33 0.00 0.00 58.87 58.27 1kqc n SER 40 Cb 0.60 -1.37 -0.08 0.00 -0.75 0.00 0.00 64.21 62.61 1kqc n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kqc n THR 41 N 4.39 0.00 -3.00 2.46 -2.24 -1.26 -1.49 114.28 113.14 1kqc n THR 41 Ca 0.21 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.77 1kqc n THR 41 Cb 0.28 -1.76 0.01 0.00 -2.10 0.00 0.00 70.33 66.76 1kqc n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1kqc n ASN 42 N -1.14 -5.05 0.29 3.42 5.15 0.77 -4.85 115.26 113.84 1kqc n ASN 42 Ca -0.18 -0.23 0.17 0.00 -0.60 0.00 0.00 54.58 53.74 1kqc n ASN 42 Cb 0.62 -4.14 0.84 0.00 -0.53 0.00 0.00 39.78 36.57 1kqc n ASN 42 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1kqc h SER 43 N -0.95 0.00 -6.93 1.20 4.64 -1.43 -3.47 113.55 106.61 1kqc h SER 43 Ca -0.46 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.36 1kqc h SER 43 Cb 1.32 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.34 1kqc h SER 43 CO 0.53 0.05 -0.81 0.00 -0.87 0.00 0.00 176.83 175.73 1kqc n GLN 44 N -3.29 -0.56 -1.03 4.77 6.02 -1.26 -4.73 117.38 117.30 1kqc n GLN 44 Ca -0.01 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 1kqc n GLN 44 Cb 0.22 -2.17 -0.13 0.00 1.02 0.00 0.00 30.24 29.18 1kqc n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1kqc n PRO 45 N -4.16 2.30 -4.15 -1.09 -0.04 -1.26 -4.87 135.00 121.73 1kqc n PRO 45 Ca -0.15 -1.23 -0.11 0.00 -0.04 0.00 0.00 63.50 61.96 1kqc n PRO 45 Cb 0.49 -2.17 -0.09 0.00 -0.04 0.00 0.00 33.50 31.70 1kqc n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1kqc s TRP 46 N 1.38 0.97 -0.03 0.54 -2.14 -1.26 -1.33 118.94 117.08 1kqc s TRP 46 Ca 0.65 -1.23 -0.14 0.00 2.66 0.00 0.00 56.10 58.04 1kqc s TRP 46 Cb 0.27 -0.39 0.02 0.00 -3.10 0.00 0.00 33.47 30.28 1kqc s TRP 46 CO -0.01 -0.72 0.31 -1.58 -2.66 0.00 0.00 176.95 172.29 1kqc s HIS 47 N -4.13 -0.20 -0.04 1.66 2.46 -0.61 -4.93 115.29 109.51 1kqc s HIS 47 Ca 0.35 0.34 0.03 0.00 0.47 0.00 0.00 55.06 56.24 1kqc s HIS 47 Cb 0.05 0.10 0.01 0.00 -0.13 0.00 0.00 32.58 32.60 1kqc s HIS 47 CO 0.11 -0.36 -0.11 -0.06 -2.47 0.00 0.00 174.74 171.85 1kqc s PHE 48 N -1.13 1.22 -0.23 3.88 0.08 -1.26 -1.07 117.98 119.48 1kqc s PHE 48 Ca -0.12 -0.35 -0.08 0.00 0.12 0.00 0.00 56.93 56.50 1kqc s PHE 48 Cb -0.05 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 1kqc s PHE 48 CO 0.04 -0.16 0.08 0.42 -0.10 0.00 0.00 175.22 175.50 1kqc s ILE 49 N 0.31 4.58 -0.36 0.64 1.01 -0.87 -4.94 121.20 121.58 1kqc s ILE 49 Ca -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1kqc s ILE 49 Cb -0.11 -3.12 0.10 0.00 0.01 0.00 0.00 42.46 39.34 1kqc s ILE 49 CO 0.02 0.38 0.09 -0.69 0.00 0.00 0.00 174.94 174.73 1kqc s VAL 50 N 1.14 2.63 -0.26 2.92 1.01 -1.26 -0.39 120.40 126.20 1kqc s VAL 50 Ca 0.05 -2.19 -0.16 0.00 0.00 0.00 0.00 61.98 59.68 1kqc s VAL 50 Cb -0.14 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1kqc s VAL 50 CO 0.03 -0.59 0.43 0.00 0.00 0.00 0.00 175.10 174.98 1kqc s ALA 51 N 1.00 3.57 -0.01 5.51 0.00 -0.26 -4.90 121.76 126.67 1kqc s ALA 51 Ca 0.09 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1kqc s ALA 51 Cb -0.20 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1kqc s ALA 51 CO -0.06 -0.64 0.03 -1.13 0.00 0.00 0.00 175.76 173.96 1kqc n SER 52 N 5.29 3.96 -4.91 0.00 3.41 -1.26 -0.74 113.62 119.36 1kqc n SER 52 Ca -0.07 -0.09 -0.27 0.00 -0.26 0.00 0.00 58.87 58.19 1kqc n SER 52 Cb 0.50 1.04 -0.00 0.00 -0.26 0.00 0.00 64.21 65.50 1kqc n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1kqc s THR 53 N -1.92 4.95 0.23 6.66 -4.23 -1.26 -4.86 115.64 115.21 1kqc s THR 53 Ca -0.00 0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.49 1kqc s THR 53 Cb 0.01 -3.86 0.21 0.00 1.34 0.00 0.00 72.50 70.20 1kqc s THR 53 CO 0.05 -0.79 1.90 -0.33 -0.54 0.00 0.00 174.62 174.91 1kqc h GLU 54 N 0.34 1.19 -0.59 3.99 4.39 -1.96 -1.20 114.58 120.74 1kqc h GLU 54 Ca -0.48 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.05 1kqc h GLU 54 Cb 1.21 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1kqc h GLU 54 CO 0.62 0.80 -0.02 0.93 -1.16 0.00 0.00 179.01 180.18 1kqc h GLU 55 N 1.22 1.06 -0.19 2.33 3.07 -1.99 -1.55 114.58 118.53 1kqc h GLU 55 Ca 0.33 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1kqc h GLU 55 Cb -0.12 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 1kqc h GLU 55 CO -0.07 1.05 0.09 0.78 -1.40 0.00 0.00 179.01 179.46 1kqc h GLY 56 N 0.96 0.29 1.42 -3.84 0.00 -1.80 -1.93 103.07 98.17 1kqc h GLY 56 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1kqc h GLY 56 CO 0.03 0.13 0.07 0.50 0.00 0.00 0.00 176.54 177.27 1kqc h LYS 57 N 0.18 0.72 -0.82 4.80 1.57 -1.17 -2.34 116.57 119.51 1kqc h LYS 57 Ca 0.06 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1kqc h LYS 57 Cb 0.11 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1kqc h LYS 57 CO -0.01 0.69 0.45 0.00 -0.57 0.00 0.00 179.45 180.01 1kqc h ALA 58 N 1.38 1.05 -0.50 3.86 0.00 -1.00 0.22 119.26 124.28 1kqc h ALA 58 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1kqc h ALA 58 Cb 0.33 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1kqc h ALA 58 CO 0.01 0.56 0.23 0.00 0.00 0.00 0.00 179.25 180.05 1kqc h ARG 59 N 1.14 0.72 -0.55 0.00 3.08 -0.85 -2.56 114.38 115.37 1kqc h ARG 59 Ca 0.29 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 1kqc h ARG 59 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1kqc h ARG 59 CO -0.05 0.62 -0.08 0.28 -1.07 0.00 0.00 179.97 179.66 1kqc h VAL 60 N 0.66 1.27 0.00 2.04 2.07 -0.98 -2.71 116.25 118.59 1kqc h VAL 60 Ca 0.17 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1kqc h VAL 60 Cb 0.14 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1kqc h VAL 60 CO -0.02 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.01 1kqc n ALA 61 N -2.50 1.20 0.27 1.67 0.00 0.73 -1.60 120.51 120.29 1kqc n ALA 61 Ca 0.02 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1kqc n ALA 61 Cb 0.39 -1.17 0.77 0.00 0.00 0.00 0.00 19.45 19.44 1kqc n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1kqc h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.14 -0.76 116.57 116.24 1kqc h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kqc h LYS 62 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1kqc h LYS 62 CO 0.00 0.07 0.00 0.66 -0.57 0.00 0.00 179.45 179.61 1kqc h SER 63 N 0.00 0.00 -0.99 0.86 4.64 -1.50 -3.30 113.55 113.25 1kqc h SER 63 Ca -0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1kqc h SER 63 Cb 0.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.16 1kqc h SER 63 CO 0.01 0.00 2.21 0.00 -0.87 0.00 0.00 176.83 178.18 1kqc n ALA 64 N -1.82 6.84 -2.77 5.18 0.00 -0.29 -0.46 120.51 127.17 1kqc n ALA 64 Ca 0.04 -3.82 -0.30 0.00 0.00 0.00 0.00 53.44 49.36 1kqc n ALA 64 Cb 0.37 -2.73 -0.04 0.00 0.00 0.00 0.00 19.45 17.05 1kqc n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kqc s ALA 65 N -0.84 3.87 0.00 0.00 0.00 -1.25 -3.33 121.76 120.22 1kqc s ALA 65 Ca 0.57 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1kqc s ALA 65 Cb 0.22 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1kqc s ALA 65 CO -0.11 0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1kqc n GLY 66 N 0.01 1.03 0.40 0.00 0.00 -1.26 -0.49 105.19 104.87 1kqc n GLY 66 Ca -0.04 0.76 0.19 0.00 0.00 0.00 0.00 46.02 46.93 1kqc n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kqc h THR 67 N 0.00 0.65 -0.67 2.61 2.02 -1.98 -1.11 112.91 114.43 1kqc h THR 67 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1kqc h THR 67 Cb 0.00 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1kqc h THR 67 CO 0.00 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 1kqc n TYR 68 N -4.56 1.10 0.27 3.16 4.01 0.36 -4.47 117.16 117.03 1kqc n TYR 68 Ca 0.21 -0.50 0.18 0.00 -0.16 0.00 0.00 57.90 57.63 1kqc n TYR 68 Cb 0.73 -0.08 0.93 0.00 -0.31 0.00 0.00 39.34 40.61 1kqc n TYR 68 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1kqc h VAL 69 N 4.01 0.25 0.00 -0.72 3.04 -1.19 -0.45 116.25 121.19 1kqc h VAL 69 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1kqc h VAL 69 Cb 1.09 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1kqc h VAL 69 CO 0.08 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.13 1kqc n PHE 70 N -3.42 0.00 0.55 3.17 3.01 -1.26 -1.83 117.46 117.69 1kqc n PHE 70 Ca -0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 1kqc n PHE 70 Cb 0.27 -0.26 0.02 0.00 -0.01 0.00 0.00 39.48 39.50 1kqc n PHE 70 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kqc n ASN 71 N -1.26 1.71 -0.02 4.37 3.02 -0.18 -4.69 115.26 118.22 1kqc n ASN 71 Ca 0.08 -1.35 -0.10 0.00 -0.03 0.00 0.00 54.58 53.17 1kqc n ASN 71 Cb 0.11 0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 1kqc n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1kqc h GLU 72 N 1.94 0.16 -0.27 3.52 4.81 -1.46 -2.98 114.58 120.31 1kqc h GLU 72 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1kqc h GLU 72 Cb 0.48 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1kqc h GLU 72 CO 0.00 0.11 0.13 0.00 -0.73 0.00 0.00 179.01 178.52 1kqc h ARG 73 N 0.17 0.36 -0.70 1.92 3.08 -1.84 -1.46 114.38 115.91 1kqc h ARG 73 Ca 0.06 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1kqc h ARG 73 Cb -0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1kqc h ARG 73 CO -0.03 0.28 0.28 0.87 -1.07 0.00 0.00 179.97 180.30 1kqc h LYS 74 N 0.37 1.05 0.00 0.04 1.57 -1.84 0.87 116.57 118.63 1kqc h LYS 74 Ca 0.10 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1kqc h LYS 74 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1kqc h LYS 74 CO -0.01 0.87 -0.49 0.52 -0.57 0.00 0.00 179.45 179.76 1kqc h MET 75 N 1.00 0.00 0.09 3.15 2.86 -1.27 -2.88 114.93 117.88 1kqc h MET 75 Ca 0.23 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.55 1kqc h MET 75 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1kqc h MET 75 CO -0.02 0.49 -1.76 -0.07 1.06 0.00 0.00 176.91 176.62 1kqc h LEU 76 N 0.00 0.29 0.00 1.22 3.38 -0.94 -3.39 115.31 115.87 1kqc h LEU 76 Ca -0.00 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1kqc h LEU 76 Cb 0.93 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1kqc h LEU 76 CO 0.06 1.48 -0.47 0.44 0.09 0.00 0.00 178.44 180.05 1kqc h ASP 77 N 0.05 0.00 -4.22 -0.43 3.32 -0.90 -3.47 116.42 110.77 1kqc h ASP 77 Ca -0.32 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.22 1kqc h ASP 77 Cb 2.02 0.00 0.15 0.00 0.22 0.00 0.00 39.33 41.73 1kqc h ASP 77 CO 0.11 0.05 0.27 0.00 -1.72 0.00 0.00 179.24 177.96 1kqc s ALA 78 N -3.24 1.83 -0.07 3.45 0.00 -1.09 -3.78 121.76 118.86 1kqc s ALA 78 Ca 0.04 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.06 1kqc s ALA 78 Cb 0.07 -3.30 -0.17 0.00 0.00 0.00 0.00 23.12 19.72 1kqc s ALA 78 CO 0.73 -2.20 0.80 1.03 0.00 0.00 0.00 175.76 176.11 1kqc h SER 79 N -1.45 -0.11 -3.56 0.00 0.87 -1.53 -3.46 113.55 104.32 1kqc h SER 79 Ca -0.45 -0.48 -0.52 0.00 -1.23 0.00 0.00 61.79 59.12 1kqc h SER 79 Cb 1.25 0.03 -0.33 0.00 -0.44 0.00 0.00 62.40 62.91 1kqc h SER 79 CO 0.49 0.53 -0.82 -1.00 -0.53 0.00 0.00 176.83 175.51 1kqc s HIS 80 N -3.05 1.48 -0.23 2.24 3.76 -0.72 -4.48 115.29 114.29 1kqc s HIS 80 Ca -0.13 -0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 54.25 1kqc s HIS 80 Cb -0.00 -1.06 0.01 0.00 1.11 0.00 0.00 32.58 32.64 1kqc s HIS 80 CO 0.49 -0.24 -0.07 0.08 -0.85 0.00 0.00 174.74 174.16 1kqc s VAL 81 N 0.47 2.97 -0.22 -0.90 1.01 0.08 0.45 120.40 124.26 1kqc s VAL 81 Ca -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1kqc s VAL 81 Cb -0.14 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1kqc s VAL 81 CO 0.03 0.34 0.15 -0.69 0.00 0.00 0.00 175.10 174.93 1kqc s VAL 82 N 1.39 5.37 -0.34 2.92 1.01 -0.54 -1.10 120.40 129.11 1kqc s VAL 82 Ca 0.03 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 1kqc s VAL 82 Cb -0.15 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1kqc s VAL 82 CO -0.05 0.38 0.15 -0.69 0.00 0.00 0.00 175.10 174.89 1kqc s VAL 83 N 0.80 4.32 -0.21 2.92 1.01 0.48 0.59 120.40 130.30 1kqc s VAL 83 Ca 0.08 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 1kqc s VAL 83 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1kqc s VAL 83 CO 0.02 -0.09 0.96 -0.36 0.00 0.00 0.00 175.10 175.63 1kqc s PHE 84 N 1.53 3.36 0.05 5.22 0.40 0.10 -2.05 117.98 126.59 1kqc s PHE 84 Ca 0.02 1.37 0.09 0.00 -0.60 0.00 0.00 56.93 57.81 1kqc s PHE 84 Cb -0.18 -3.17 -0.03 0.00 0.51 0.00 0.00 43.02 40.15 1kqc s PHE 84 CO 0.05 -0.40 -0.26 0.00 0.70 0.00 0.00 175.22 175.31 1kqc s ALA 86 N -0.81 3.07 0.47 0.00 0.00 -0.69 -1.57 121.76 122.23 1kqc s ALA 86 Ca 0.11 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.40 1kqc s ALA 86 Cb -0.10 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 1kqc s ALA 86 CO 0.02 0.45 1.14 0.15 0.00 0.00 0.00 175.76 177.53 1kqc s LYS 87 N -2.95 3.70 0.24 0.00 1.02 -0.44 -1.42 119.74 119.88 1kqc s LYS 87 Ca 0.26 1.71 0.23 0.00 0.02 0.00 0.00 55.97 58.19 1kqc s LYS 87 Cb -0.09 -2.32 0.21 0.00 -0.52 0.00 0.00 37.83 35.11 1kqc s LYS 87 CO 0.17 -0.58 1.28 1.79 -0.92 0.00 0.00 175.35 177.09 1kqc h THR 88 N 1.74 0.00 -2.22 2.17 1.35 -1.62 -3.45 112.91 110.89 1kqc h THR 88 Ca -0.49 -0.84 -0.07 0.00 -0.55 0.00 0.00 66.41 64.46 1kqc h THR 88 Cb 1.25 1.50 -0.21 0.00 -1.73 0.00 0.00 68.15 68.96 1kqc h THR 88 CO 0.60 0.00 0.04 0.00 -0.25 0.00 0.00 175.52 175.91 1kqc s ALA 89 N -3.27 -1.56 -0.54 6.62 0.00 -1.26 -4.54 121.76 117.21 1kqc s ALA 89 Ca 0.04 1.62 -0.22 0.00 0.00 0.00 0.00 51.96 53.40 1kqc s ALA 89 Cb 0.10 -0.79 0.05 0.00 0.00 0.00 0.00 23.12 22.48 1kqc s ALA 89 CO 0.73 -0.31 0.80 1.41 0.00 0.00 0.00 175.76 178.40 1kqc s MET 90 N -0.03 3.21 0.25 0.00 1.75 -1.26 -5.04 119.30 118.17 1kqc s MET 90 Ca -0.03 -0.62 -0.04 0.00 -1.25 0.00 0.00 55.69 53.74 1kqc s MET 90 Cb -0.04 -4.10 -0.05 0.00 2.84 0.00 0.00 34.83 33.48 1kqc s MET 90 CO 0.03 -1.41 0.50 0.16 -0.65 0.00 0.00 175.02 173.65 1kqc s ASP 91 N 2.89 6.46 0.44 1.11 -4.77 -1.26 -4.99 116.67 116.55 1kqc s ASP 91 Ca 0.22 0.65 0.10 0.00 -3.30 0.00 0.00 52.55 50.23 1kqc s ASP 91 Cb -0.16 -2.12 0.97 0.00 -1.09 0.00 0.00 42.92 40.52 1kqc s ASP 91 CO 0.15 -0.12 2.07 0.44 0.70 0.00 0.00 175.17 178.41 1kqc h ASP 92 N 1.98 0.31 -0.58 2.11 3.32 -2.00 -2.61 116.42 118.95 1kqc h ASP 92 Ca -0.47 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.65 1kqc h ASP 92 Cb 1.18 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.59 1kqc h ASP 92 CO 0.68 0.25 0.22 0.00 -1.72 0.00 0.00 179.24 178.67 1kqc h ALA 93 N 1.81 0.74 -0.36 3.45 0.00 -2.00 -0.94 119.26 121.96 1kqc h ALA 93 Ca 0.10 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1kqc h ALA 93 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1kqc h ALA 93 CO -0.02 -0.18 -0.05 2.35 0.00 0.00 0.00 179.25 181.35 1kqc h TRP 94 N 0.41 0.74 -0.33 0.00 2.91 -1.88 -2.11 115.95 115.70 1kqc h TRP 94 Ca 0.29 -0.15 0.03 0.00 1.13 0.00 0.00 58.89 60.19 1kqc h TRP 94 Cb 0.33 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 1kqc h TRP 94 CO -0.16 0.80 0.22 -0.07 -1.03 0.00 0.00 178.44 178.20 1kqc h LEU 95 N 0.47 0.29 -0.20 0.65 3.38 -1.34 -1.15 115.31 117.40 1kqc h LEU 95 Ca 0.10 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1kqc h LEU 95 Cb 0.53 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1kqc h LEU 95 CO 0.03 0.20 -0.17 -0.08 0.09 0.00 0.00 178.44 178.51 1kqc h GLU 96 N 0.34 0.48 -0.57 1.13 4.57 -0.90 -2.82 114.58 116.81 1kqc h GLU 96 Ca 0.13 -0.24 0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1kqc h GLU 96 Cb 0.11 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.64 1kqc h GLU 96 CO -0.03 0.81 0.23 0.00 -1.18 0.00 0.00 179.01 178.84 1kqc h ARG 97 N 0.16 0.41 0.29 1.92 2.47 -0.57 -0.31 114.38 118.75 1kqc h ARG 97 Ca 0.04 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1kqc h ARG 97 Cb 0.71 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1kqc h ARG 97 CO 0.04 0.27 -0.16 0.28 0.56 0.00 0.00 179.97 180.97 1kqc h VAL 98 N 0.42 0.68 -0.34 2.04 2.07 -1.28 -1.03 116.25 118.81 1kqc h VAL 98 Ca 0.27 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.72 1kqc h VAL 98 Cb 0.29 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1kqc h VAL 98 CO -0.26 0.00 -0.11 1.62 0.02 0.00 0.00 177.57 178.84 1kqc h VAL 99 N -0.42 1.24 -0.11 2.57 3.04 -1.24 -1.29 116.25 120.04 1kqc h VAL 99 Ca -0.03 -1.05 -0.12 0.00 -1.01 0.00 0.00 66.70 64.49 1kqc h VAL 99 Cb 0.33 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 1kqc h VAL 99 CO 0.05 0.35 -0.45 0.44 -1.01 0.00 0.00 177.57 176.95 1kqc h ASP 100 N 0.53 0.28 -0.31 3.17 3.32 -0.93 -1.93 116.42 120.56 1kqc h ASP 100 Ca 0.10 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 1kqc h ASP 100 Cb 0.51 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1kqc h ASP 100 CO 0.03 0.70 -0.42 -0.61 -1.72 0.00 0.00 179.24 177.22 1kqc h GLN 101 N 0.22 0.83 -0.40 3.56 5.75 -0.79 -1.68 115.11 122.60 1kqc h GLN 101 Ca 0.01 -0.48 -0.02 0.00 -0.15 0.00 0.00 58.65 58.01 1kqc h GLN 101 Cb 0.88 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 1kqc h GLN 101 CO 0.07 1.12 0.17 0.93 -2.65 0.00 0.00 178.83 178.47 1kqc h GLU 102 N 0.61 0.56 -0.20 1.69 5.08 -1.03 0.47 114.58 121.76 1kqc h GLU 102 Ca 0.03 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1kqc h GLU 102 Cb 1.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1kqc h GLU 102 CO 0.10 0.46 -0.33 1.49 -1.00 0.00 0.00 179.01 179.73 1kqc h GLU 103 N 0.57 0.57 -0.57 2.33 4.81 -1.19 -1.16 114.58 119.94 1kqc h GLU 103 Ca 0.14 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1kqc h GLU 103 Cb 0.10 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1kqc h GLU 103 CO -0.02 0.96 0.33 0.00 -0.73 0.00 0.00 179.01 179.55 1kqc h ALA 104 N 0.61 1.49 0.00 2.92 0.00 -0.74 -0.50 119.26 123.04 1kqc h ALA 104 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1kqc h ALA 104 Cb 0.92 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1kqc h ALA 104 CO 0.08 0.43 0.00 -0.25 0.00 0.00 0.00 179.25 179.50 1kqc n ASP 105 N -4.40 0.00 -0.02 0.00 8.00 0.10 -4.90 116.55 115.33 1kqc n ASP 105 Ca 0.05 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1kqc n ASP 105 Cb 0.09 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1kqc n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kqc n GLY 106 N 0.78 0.40 0.20 0.44 0.00 -0.20 -4.97 105.19 101.84 1kqc n GLY 106 Ca 0.18 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.46 1kqc n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqc n ARG 107 N -0.98 0.92 -5.24 1.61 1.74 -0.46 -4.85 116.66 109.40 1kqc n ARG 107 Ca 0.00 -0.40 -0.31 0.00 -0.77 0.00 0.00 57.85 56.37 1kqc n ARG 107 Cb 0.50 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.28 1kqc n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1kqc s PHE 108 N -2.36 2.39 -0.34 -1.55 0.08 -1.26 -5.02 117.98 109.92 1kqc s PHE 108 Ca 0.31 -0.71 0.23 0.00 0.12 0.00 0.00 56.93 56.87 1kqc s PHE 108 Cb 0.20 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1kqc s PHE 108 CO 0.45 -0.22 1.00 0.27 -0.10 0.00 0.00 175.22 176.63 1kqc n ASN 109 N 2.96 0.67 -3.91 1.36 6.94 -1.26 -4.96 115.26 117.06 1kqc n ASN 109 Ca -0.17 0.14 -0.09 0.00 -0.02 0.00 0.00 54.58 54.43 1kqc n ASN 109 Cb 0.52 0.69 -0.07 0.00 -2.36 0.00 0.00 39.78 38.56 1kqc n ASN 109 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1kqc s THR 110 N -3.32 0.12 0.32 5.53 -4.23 -1.26 -5.02 115.64 107.78 1kqc s THR 110 Ca 0.00 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1kqc s THR 110 Cb 0.12 -1.53 0.12 0.00 1.34 0.00 0.00 72.50 72.55 1kqc s THR 110 CO 0.80 -0.56 1.82 -0.65 -0.54 0.00 0.00 174.62 175.49 1kqc h PRO 111 N 2.71 0.49 -0.51 3.99 0.11 -2.00 -1.73 132.00 135.06 1kqc h PRO 111 Ca -0.33 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1kqc h PRO 111 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1kqc h PRO 111 CO 0.54 0.59 0.27 0.93 -0.21 0.00 0.00 178.00 180.13 1kqc h GLU 112 N 0.45 0.70 -0.57 1.05 3.07 -1.99 -1.50 114.58 115.79 1kqc h GLU 112 Ca 0.09 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1kqc h GLU 112 Cb 0.46 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1kqc h GLU 112 CO 0.03 0.52 0.11 0.00 -1.40 0.00 0.00 179.01 178.27 1kqc h ALA 113 N 1.59 0.75 -0.49 3.43 0.00 -1.72 -1.11 119.26 121.72 1kqc h ALA 113 Ca 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1kqc h ALA 113 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1kqc h ALA 113 CO -0.03 0.48 0.11 -0.22 0.00 0.00 0.00 179.25 179.59 1kqc h LYS 114 N 0.83 0.80 -0.79 0.00 3.64 -1.11 -1.66 116.57 118.28 1kqc h LYS 114 Ca 0.18 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1kqc h LYS 114 Cb 0.39 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1kqc h LYS 114 CO 0.01 0.78 0.42 0.00 -2.27 0.00 0.00 179.45 178.38 1kqc h ALA 115 N 0.98 1.02 -0.79 5.00 0.00 -1.08 0.81 119.26 125.20 1kqc h ALA 115 Ca 0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1kqc h ALA 115 Cb 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1kqc h ALA 115 CO 0.00 0.55 0.31 0.00 0.00 0.00 0.00 179.25 180.11 1kqc h ALA 116 N 1.22 1.07 -0.47 0.00 0.00 -0.98 0.16 119.26 120.26 1kqc h ALA 116 Ca 0.28 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1kqc h ALA 116 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1kqc h ALA 116 CO -0.04 0.66 -0.09 -0.97 0.00 0.00 0.00 179.25 178.81 1kqc h ASN 117 N 1.14 0.89 -0.11 0.00 -0.73 -0.76 -1.98 115.58 114.05 1kqc h ASN 117 Ca 0.26 -0.35 -0.01 0.00 1.87 0.00 0.00 56.30 58.07 1kqc h ASN 117 Cb 0.21 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 1kqc h ASN 117 CO -0.02 1.03 0.04 -0.74 -0.37 0.00 0.00 177.43 177.37 1kqc h HIS 118 N 0.74 0.17 -0.66 0.67 2.76 -0.32 -1.75 115.15 116.76 1kqc h HIS 118 Ca 0.12 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1kqc h HIS 118 Cb 0.63 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.50 1kqc h HIS 118 CO 0.05 0.28 0.41 -0.22 -1.30 0.00 0.00 177.93 177.14 1kqc h LYS 119 N 0.00 0.77 -0.56 5.26 3.64 -0.64 0.06 116.57 125.10 1kqc h LYS 119 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1kqc h LYS 119 Cb 0.19 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1kqc h LYS 119 CO -0.00 0.51 0.33 0.78 -2.27 0.00 0.00 179.45 178.80 1kqc h GLY 120 N 0.79 0.82 1.07 5.01 0.00 -1.21 -0.60 103.07 108.96 1kqc h GLY 120 Ca 0.27 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1kqc h GLY 120 CO -0.12 0.34 0.10 -0.09 0.00 0.00 0.00 176.54 176.78 1kqc h ARG 121 N 0.76 1.11 -0.82 4.80 2.43 -0.87 -2.52 114.38 119.27 1kqc h ARG 121 Ca 0.20 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1kqc h ARG 121 Cb -0.00 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1kqc h ARG 121 CO -0.04 1.02 0.50 1.15 -1.51 0.00 0.00 179.97 181.10 1kqc h THR 122 N 1.04 1.22 -0.19 0.20 2.02 -0.53 -0.25 112.91 116.43 1kqc h THR 122 Ca 0.20 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1kqc h THR 122 Cb 0.45 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1kqc h THR 122 CO 0.01 0.23 0.11 0.22 0.37 0.00 0.00 175.52 176.47 1kqc h TYR 123 N 1.12 0.21 -0.44 3.16 5.03 -0.70 0.12 116.97 125.48 1kqc h TYR 123 Ca 0.30 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.50 1kqc h TYR 123 Cb -0.06 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1kqc h TYR 123 CO 0.00 0.13 -0.15 0.74 -1.32 0.00 0.00 178.16 177.56 1kqc h PHE 124 N 0.23 1.00 -0.09 -3.82 0.04 -1.23 -1.65 116.94 111.42 1kqc h PHE 124 Ca 0.07 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 60.63 1kqc h PHE 124 Cb -0.01 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 1kqc h PHE 124 CO -0.07 1.00 -0.03 0.00 -0.60 0.00 0.00 178.31 178.61 1kqc h ALA 125 N 0.85 0.06 -0.10 2.45 0.00 -0.76 -2.50 119.26 119.26 1kqc h ALA 125 Ca 0.11 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1kqc h ALA 125 Cb 0.70 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1kqc h ALA 125 CO 0.05 -0.49 -0.30 -0.44 0.00 0.00 0.00 179.25 178.07 1kqc h ASP 126 N -0.01 0.19 -0.77 0.00 3.32 -0.72 0.12 116.42 118.55 1kqc h ASP 126 Ca 0.05 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.13 1kqc h ASP 126 Cb 0.07 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1kqc h ASP 126 CO -0.10 0.49 0.51 -0.03 -1.72 0.00 0.00 179.24 178.39 1kqc h MET 127 N 0.17 0.69 0.10 3.56 4.05 -0.85 0.35 114.93 123.01 1kqc h MET 127 Ca 0.02 -0.04 -0.34 0.00 -0.28 0.00 0.00 59.70 59.07 1kqc h MET 127 Cb 0.62 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1kqc h MET 127 CO 0.05 0.46 -1.84 0.45 0.23 0.00 0.00 176.91 176.26 1kqc h HIS 128 N 0.71 0.40 -0.14 1.39 3.86 -1.23 0.55 115.15 120.70 1kqc h HIS 128 Ca 0.35 -0.29 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 1kqc h HIS 128 Cb 0.43 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 1kqc h HIS 128 CO -0.00 1.72 -0.20 0.00 0.86 0.00 0.00 177.93 180.32 1kqc h ARG 129 N -0.14 0.38 0.00 2.45 3.08 -0.59 0.26 114.38 119.81 1kqc h ARG 129 Ca -0.41 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1kqc h ARG 129 Cb 1.89 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1kqc h ARG 129 CO 0.03 0.80 -0.38 0.28 -1.07 0.00 0.00 179.97 179.63 1kqc n VAL 130 N -4.50 0.87 0.13 2.04 0.31 0.12 -4.16 118.33 113.13 1kqc n VAL 130 Ca -0.06 0.32 -0.05 0.00 -0.01 0.00 0.00 64.34 64.53 1kqc n VAL 130 Cb 0.40 -2.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 1kqc n VAL 130 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1kqc h ASP 131 N -0.60 -0.29 1.62 4.52 3.32 -1.45 -3.33 116.42 120.21 1kqc h ASP 131 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1kqc h ASP 131 Cb 0.38 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1kqc h ASP 131 CO 0.00 -0.18 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.19 1kqc h LEU 132 N -0.39 0.00 -1.44 1.55 3.38 -1.02 -3.48 115.31 113.91 1kqc h LEU 132 Ca -0.03 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.51 1kqc h LEU 132 Cb 0.26 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.06 1kqc h LEU 132 CO 0.06 0.08 -0.79 0.29 0.09 0.00 0.00 178.44 178.17 1kqc n LYS 133 N -3.14 -5.62 -1.31 1.13 4.76 0.64 -4.89 118.16 109.73 1kqc n LYS 133 Ca 0.03 0.66 0.03 0.00 -2.87 0.00 0.00 58.31 56.16 1kqc n LYS 133 Cb 0.49 -5.42 0.02 0.00 -1.84 0.00 0.00 35.03 28.28 1kqc n LYS 133 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1kqc n ASP 134 N -3.00 0.82 0.30 4.39 5.75 0.38 -4.86 116.55 120.33 1kqc n ASP 134 Ca -0.17 -2.01 0.16 0.00 -0.01 0.00 0.00 54.79 52.75 1kqc n ASP 134 Cb 0.62 -0.28 0.93 0.00 -1.03 0.00 0.00 41.12 41.36 1kqc n ASP 134 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1kqc h ASP 135 N 0.81 0.00 -0.38 -1.12 2.03 -1.86 0.48 116.42 116.38 1kqc h ASP 135 Ca -0.19 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.03 1kqc h ASP 135 Cb 1.80 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.29 1kqc h ASP 135 CO 0.08 0.01 -0.11 -2.24 -1.03 0.00 0.00 179.24 175.95 1kqc h ASP 136 N 0.00 0.75 0.34 4.15 -0.00 -1.89 -1.65 116.42 118.11 1kqc h ASP 136 Ca -0.00 -0.37 -0.20 0.00 -0.00 0.00 0.00 57.03 56.46 1kqc h ASP 136 Cb 0.02 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.14 1kqc h ASP 136 CO 0.00 0.95 -0.82 1.56 -0.00 0.00 0.00 179.24 180.93 1kqc h GLN 137 N 0.54 0.37 -0.43 4.15 1.08 -1.62 -2.31 115.11 116.88 1kqc h GLN 137 Ca 0.09 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1kqc h GLN 137 Cb 0.63 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 1kqc h GLN 137 CO 0.04 1.01 0.28 2.35 -0.95 0.00 0.00 178.83 181.56 1kqc h TRP 138 N 0.23 0.54 -0.30 2.96 7.01 -0.85 -1.39 115.95 124.15 1kqc h TRP 138 Ca -0.05 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 60.81 1kqc h TRP 138 Cb 1.42 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.29 1kqc h TRP 138 CO 0.05 0.34 -0.42 0.52 -2.79 0.00 0.00 178.44 176.15 1kqc h MET 139 N 0.58 0.75 -0.50 2.65 2.86 -1.30 -2.76 114.93 117.20 1kqc h MET 139 Ca 0.16 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1kqc h MET 139 Cb -0.06 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1kqc h MET 139 CO -0.03 1.02 0.30 0.00 1.06 0.00 0.00 176.91 179.26 1kqc h ALA 140 N 0.92 1.59 -0.50 6.32 0.00 -1.10 -1.38 119.26 125.10 1kqc h ALA 140 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1kqc h ALA 140 Cb 0.97 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1kqc h ALA 140 CO 0.09 0.36 0.01 0.87 0.00 0.00 0.00 179.25 180.58 1kqc h LYS 141 N 0.69 0.84 -0.44 0.00 1.57 -0.98 -1.68 116.57 116.57 1kqc h LYS 141 Ca 0.18 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1kqc h LYS 141 Cb -0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1kqc h LYS 141 CO -0.03 0.84 0.04 1.96 -0.57 0.00 0.00 179.45 181.68 1kqc h GLN 142 N 0.78 0.69 -0.29 3.15 1.08 -1.08 -1.67 115.11 117.78 1kqc h GLN 142 Ca 0.15 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1kqc h GLN 142 Cb 0.46 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1kqc h GLN 142 CO 0.02 0.68 0.02 0.28 -0.95 0.00 0.00 178.83 178.88 1kqc h VAL 143 N 0.66 1.25 -0.71 -0.54 2.07 -0.78 -1.52 116.25 116.68 1kqc h VAL 143 Ca 0.14 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1kqc h VAL 143 Cb 0.35 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1kqc h VAL 143 CO 0.01 0.28 0.44 1.88 0.02 0.00 0.00 177.57 180.20 1kqc h TYR 144 N 0.30 0.92 -0.86 1.57 -1.99 -1.02 0.80 116.97 116.70 1kqc h TYR 144 Ca 0.09 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.80 1kqc h TYR 144 Cb 0.39 -0.30 -0.04 0.00 2.00 0.00 0.00 36.73 38.78 1kqc h TYR 144 CO 0.03 0.60 0.46 1.25 -0.00 0.00 0.00 178.16 180.50 1kqc h LEU 145 N 0.97 1.08 -0.77 3.88 6.46 -0.99 0.49 115.31 126.44 1kqc h LEU 145 Ca 0.26 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1kqc h LEU 145 Cb -0.06 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.56 1kqc h LEU 145 CO -0.05 0.88 0.37 -1.13 -0.62 0.00 0.00 178.44 177.89 1kqc h ASN 146 N 1.20 1.01 -0.45 1.25 -0.73 -0.06 -1.03 115.58 116.77 1kqc h ASN 146 Ca 0.30 -0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.35 1kqc h ASN 146 Cb 0.05 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 1kqc h ASN 146 CO -0.05 0.86 0.28 0.58 -0.37 0.00 0.00 177.43 178.73 1kqc h VAL 147 N 1.08 1.08 -0.72 2.57 2.07 0.25 0.11 116.25 122.69 1kqc h VAL 147 Ca 0.26 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1kqc h VAL 147 Cb 0.12 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1kqc h VAL 147 CO -0.03 0.10 0.47 1.23 0.02 0.00 0.00 177.57 179.36 1kqc h GLY 148 N 0.57 1.03 0.95 2.17 0.00 -0.34 -0.21 103.07 107.24 1kqc h GLY 148 Ca 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1kqc h GLY 148 CO -0.06 0.34 0.19 -0.57 0.00 0.00 0.00 176.54 176.44 1kqc h ASN 149 N 0.95 0.57 0.08 0.19 -1.24 -0.78 -3.10 115.58 112.24 1kqc h ASN 149 Ca 0.28 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 1kqc h ASN 149 Cb -0.06 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.84 1kqc h ASN 149 CO -0.08 0.56 -0.04 0.15 -1.29 0.00 0.00 177.43 176.74 1kqc h PHE 150 N 0.54 -0.09 -0.81 0.67 3.57 -0.09 -1.78 116.94 118.96 1kqc h PHE 150 Ca 0.14 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1kqc h PHE 150 Cb 0.16 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1kqc h PHE 150 CO -0.00 -0.03 0.51 -0.07 -2.23 0.00 0.00 178.31 176.48 1kqc h LEU 151 N -0.14 0.82 -0.55 0.59 3.38 -1.08 -0.05 115.31 118.29 1kqc h LEU 151 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1kqc h LEU 151 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1kqc h LEU 151 CO 0.02 0.55 -0.46 0.25 0.09 0.00 0.00 178.44 178.89 1kqc h LEU 152 N 0.96 0.70 0.07 1.67 5.85 -1.51 -1.99 115.31 121.07 1kqc h LEU 152 Ca 0.33 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1kqc h LEU 152 Cb 0.07 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1kqc h LEU 152 CO -0.14 1.05 -0.03 1.23 -0.34 0.00 0.00 178.44 180.21 1kqc h GLY 153 N 0.99 -0.10 1.53 3.75 0.00 -0.57 0.18 103.07 108.84 1kqc h GLY 153 Ca 0.03 0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1kqc h GLY 153 CO 0.09 -0.04 -0.04 -0.39 0.00 0.00 0.00 176.54 176.16 1kqc h VAL 154 N -0.21 1.22 -0.45 4.60 -1.51 -1.06 -1.41 116.25 117.42 1kqc h VAL 154 Ca -0.01 -0.92 -0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1kqc h VAL 154 Cb 0.18 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 1kqc h VAL 154 CO 0.02 0.31 0.27 1.23 -1.23 0.00 0.00 177.57 178.17 1kqc h GLY 155 N 0.90 0.66 2.00 5.19 0.00 -1.04 -0.39 103.07 110.39 1kqc h GLY 155 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1kqc h GLY 155 CO 0.02 0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.83 1kqc n ALA 156 N -2.25 1.43 1.21 3.60 0.00 0.61 -1.02 120.51 124.09 1kqc n ALA 156 Ca 0.01 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1kqc n ALA 156 Cb 0.06 -1.29 0.33 0.00 0.00 0.00 0.00 19.45 18.55 1kqc n ALA 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1kqc n MET 157 N -2.00 0.82 -0.81 0.00 2.81 -0.28 -4.91 117.12 112.76 1kqc n MET 157 Ca 0.01 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 1kqc n MET 157 Cb 0.14 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1kqc n MET 157 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kqc n GLY 158 N 1.36 0.58 3.94 3.03 0.00 -0.19 -5.04 105.19 108.87 1kqc n GLY 158 Ca 0.12 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1kqc n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kqc s LEU 159 N 0.00 4.19 0.14 0.99 1.43 -0.49 -5.02 118.68 119.92 1kqc s LEU 159 Ca 0.00 0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 1kqc s LEU 159 Cb 0.00 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1kqc s LEU 159 CO 0.00 -0.12 0.15 -1.81 0.23 0.00 0.00 176.35 174.80 1kqc s ASP 160 N -3.62 5.69 0.18 2.29 1.01 0.13 -3.99 116.67 118.35 1kqc s ASP 160 Ca 0.38 -0.04 -0.24 0.00 0.71 0.00 0.00 52.55 53.36 1kqc s ASP 160 Cb -0.10 -1.55 0.05 0.00 1.01 0.00 0.00 42.92 42.34 1kqc s ASP 160 CO 0.31 0.09 0.91 0.00 0.21 0.00 0.00 175.17 176.69 1kqc s ALA 161 N -1.66 -1.56 -0.18 5.23 0.00 -1.26 -0.78 121.76 121.55 1kqc s ALA 161 Ca 0.31 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 1kqc s ALA 161 Cb -0.11 0.68 0.08 0.00 0.00 0.00 0.00 23.12 23.77 1kqc s ALA 161 CO 0.24 -1.04 0.41 0.54 0.00 0.00 0.00 175.76 175.91 1kqc s VAL 162 N -3.42 -0.40 0.22 0.00 0.11 -1.03 -1.91 120.40 113.98 1kqc s VAL 162 Ca 0.12 0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 1kqc s VAL 162 Cb -0.02 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 1kqc s VAL 162 CO 0.03 0.06 1.07 -2.16 -3.33 0.00 0.00 175.10 170.77 1kqc s PRO 163 N 2.14 4.65 -0.13 1.54 0.04 -1.26 -3.32 135.00 138.66 1kqc s PRO 163 Ca -0.05 1.70 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 1kqc s PRO 163 Cb -0.11 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1kqc s PRO 163 CO -0.13 0.19 -0.10 0.42 0.04 0.00 0.00 177.00 177.42 1kqc s ILE 164 N -0.68 1.26 -0.35 0.56 1.01 0.12 -4.92 121.20 118.19 1kqc s ILE 164 Ca 0.46 -0.44 0.14 0.00 0.00 0.00 0.00 60.65 60.82 1kqc s ILE 164 Cb -0.30 -1.23 -0.19 0.00 0.01 0.00 0.00 42.46 40.76 1kqc s ILE 164 CO 0.36 0.41 0.46 -0.62 0.00 0.00 0.00 174.94 175.55 1kqc n GLU 165 N 4.85 1.47 -1.72 2.79 1.02 -1.26 -1.60 120.64 126.18 1kqc n GLU 165 Ca -0.15 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.51 1kqc n GLU 165 Cb 0.50 -1.24 -0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1kqc n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqc n GLY 166 N 1.50 4.43 3.30 0.62 0.00 -1.26 -4.84 105.19 108.93 1kqc n GLY 166 Ca 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 1kqc n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kqc s PHE 167 N 2.96 -0.13 -0.52 1.61 -0.71 -1.26 -4.76 117.98 115.16 1kqc s PHE 167 Ca 0.49 -0.22 -0.21 0.00 -1.04 0.00 0.00 56.93 55.95 1kqc s PHE 167 Cb 0.14 0.19 0.05 0.00 -1.21 0.00 0.00 43.02 42.20 1kqc s PHE 167 CO -0.08 -0.67 0.72 0.34 -1.34 0.00 0.00 175.22 174.19 1kqc s ASP 168 N -2.82 6.26 0.36 1.98 -1.08 0.39 -4.92 116.67 116.83 1kqc s ASP 168 Ca 0.03 -0.76 0.10 0.00 -0.52 0.00 0.00 52.55 51.40 1kqc s ASP 168 Cb 0.02 -2.33 0.68 0.00 -1.46 0.00 0.00 42.92 39.83 1kqc s ASP 168 CO -0.12 -1.00 1.83 0.00 0.52 0.00 0.00 175.17 176.40 1kqc h ALA 169 N 9.09 1.36 -0.53 3.66 0.00 -1.88 -1.58 119.26 129.38 1kqc h ALA 169 Ca -0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1kqc h ALA 169 Cb 1.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1kqc h ALA 169 CO 1.00 0.45 0.26 0.00 0.00 0.00 0.00 179.25 180.97 1kqc h ALA 170 N 1.57 0.68 -0.39 0.00 0.00 -1.93 0.59 119.26 119.78 1kqc h ALA 170 Ca 0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1kqc h ALA 170 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1kqc h ALA 170 CO 0.04 0.24 0.01 0.82 0.00 0.00 0.00 179.25 180.36 1kqc h ILE 171 N 0.71 1.26 -0.46 0.00 2.04 -1.88 -1.40 117.51 117.77 1kqc h ILE 171 Ca 0.18 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1kqc h ILE 171 Cb 0.11 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1kqc h ILE 171 CO -0.02 0.34 0.03 0.25 0.00 0.00 0.00 178.15 178.74 1kqc h LEU 172 N 0.52 0.77 -0.65 1.44 5.85 -0.97 -1.30 115.31 120.98 1kqc h LEU 172 Ca 0.11 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1kqc h LEU 172 Cb 0.46 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1kqc h LEU 172 CO 0.02 0.87 0.40 0.44 -0.34 0.00 0.00 178.44 179.83 1kqc h ASP 173 N 0.64 0.76 -0.34 1.25 5.19 0.30 -2.48 116.42 121.75 1kqc h ASP 173 Ca 0.13 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1kqc h ASP 173 Cb 0.46 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1kqc h ASP 173 CO 0.02 0.59 0.12 -0.33 -3.12 0.00 0.00 179.24 176.52 1kqc h GLU 174 N 0.88 0.52 -0.44 3.56 5.08 -1.09 -0.35 114.58 122.74 1kqc h GLU 174 Ca 0.23 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1kqc h GLU 174 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1kqc h GLU 174 CO -0.05 0.53 0.30 1.49 -1.00 0.00 0.00 179.01 180.28 1kqc h GLU 175 N 0.40 0.40 -0.29 2.33 4.57 -0.95 -2.59 114.58 118.45 1kqc h GLU 175 Ca 0.11 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1kqc h GLU 175 Cb 0.21 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1kqc h GLU 175 CO -0.01 0.27 0.00 1.19 -1.18 0.00 0.00 179.01 179.28 1kqc n PHE 176 N -4.48 0.58 -4.13 0.92 3.72 -0.96 -4.99 117.46 108.13 1kqc n PHE 176 Ca 0.05 -0.63 -0.32 0.00 -0.05 0.00 0.00 57.45 56.50 1kqc n PHE 176 Cb 0.20 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1kqc n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kqc n GLY 177 N 0.10 -0.36 0.26 1.37 0.00 -0.25 -4.86 105.19 101.45 1kqc n GLY 177 Ca 0.14 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1kqc n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kqc h LEU 178 N -1.65 0.95 -0.59 0.99 3.38 -1.52 -3.06 115.31 113.81 1kqc h LEU 178 Ca -0.61 -0.41 0.12 0.00 0.09 0.00 0.00 57.88 57.07 1kqc h LEU 178 Cb 1.38 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 1kqc h LEU 178 CO 0.72 1.15 -0.17 0.50 0.09 0.00 0.00 178.44 180.73 1kqc h LYS 179 N 0.75 -0.03 -0.69 1.13 3.11 -1.73 0.15 116.57 119.26 1kqc h LYS 179 Ca 0.09 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.89 1kqc h LYS 179 Cb 0.80 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.01 1kqc h LYS 179 CO 0.07 -0.02 0.26 0.93 -2.81 0.00 0.00 179.45 177.88 1kqc h GLU 180 N -0.03 1.02 0.00 1.90 3.07 -1.87 -2.02 114.58 116.65 1kqc h GLU 180 Ca 0.28 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1kqc h GLU 180 Cb 0.46 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1kqc h GLU 180 CO -0.62 0.84 0.00 1.63 -1.40 0.00 0.00 179.01 179.46 1kqc n LYS 181 N -4.29 0.01 -1.51 2.33 5.02 0.21 -4.89 118.16 115.04 1kqc n LYS 181 Ca 0.06 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1kqc n LYS 181 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1kqc n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kqc n GLY 182 N 0.83 0.85 3.17 0.72 0.00 0.27 -5.03 105.19 106.00 1kqc n GLY 182 Ca 0.06 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1kqc n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kqc s PHE 183 N -2.13 0.88 -0.05 1.61 0.08 -0.20 -1.58 117.98 116.60 1kqc s PHE 183 Ca 0.00 -0.91 -0.04 0.00 0.12 0.00 0.00 56.93 56.10 1kqc s PHE 183 Cb 0.00 -0.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.95 1kqc s PHE 183 CO 0.00 -0.15 0.12 -0.08 -0.10 0.00 0.00 175.22 175.00 1kqc s THR 184 N -3.60 -0.01 0.19 0.64 -1.32 -0.51 -3.00 115.64 108.03 1kqc s THR 184 Ca 0.11 0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.32 1kqc s THR 184 Cb 0.05 -0.17 -0.08 0.00 -1.51 0.00 0.00 72.50 70.79 1kqc s THR 184 CO -0.05 0.01 1.14 -0.94 -2.21 0.00 0.00 174.62 172.57 1kqc s SER 185 N 0.19 7.19 -0.04 8.08 1.04 -1.26 -1.70 113.70 127.20 1kqc s SER 185 Ca -0.01 2.17 -0.02 0.00 0.48 0.00 0.00 55.95 58.57 1kqc s SER 185 Cb -0.02 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1kqc s SER 185 CO -0.01 -0.28 -0.05 0.18 0.98 0.00 0.00 173.24 174.07 1kqc n LEU 186 N 2.31 0.71 -3.84 2.42 4.77 -0.03 -4.84 117.00 118.49 1kqc n LEU 186 Ca 0.03 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 1kqc n LEU 186 Cb 0.45 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 1kqc n LEU 186 CO 0.55 0.16 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.77 1kqc s VAL 187 N -2.07 -0.01 -0.16 4.08 1.01 -1.18 -4.80 120.40 117.28 1kqc s VAL 187 Ca -0.05 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1kqc s VAL 187 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 1kqc s VAL 187 CO 0.07 0.01 -0.03 -0.69 0.00 0.00 0.00 175.10 174.46 1kqc s VAL 188 N 0.16 3.91 -0.35 2.92 1.01 -0.63 0.02 120.40 127.44 1kqc s VAL 188 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1kqc s VAL 188 Cb -0.02 -2.72 0.11 0.00 0.00 0.00 0.00 36.38 33.75 1kqc s VAL 188 CO -0.00 0.49 0.11 -0.69 0.00 0.00 0.00 175.10 175.01 1kqc s VAL 189 N 0.40 1.46 0.27 2.92 1.01 0.20 0.13 120.40 126.78 1kqc s VAL 189 Ca -0.04 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 59.69 1kqc s VAL 189 Cb -0.14 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 1kqc s VAL 189 CO 0.03 -0.70 1.15 -2.84 0.00 0.00 0.00 175.10 172.74 1kqc s PRO 190 N 1.11 4.57 -0.00 2.72 0.02 -1.21 -1.46 135.00 140.74 1kqc s PRO 190 Ca 0.12 1.88 0.05 0.00 0.02 0.00 0.00 61.00 63.07 1kqc s PRO 190 Cb -0.19 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 31.13 1kqc s PRO 190 CO -0.15 0.09 -0.16 0.08 -0.33 0.00 0.00 177.00 176.53 1kqc s VAL 191 N -0.92 1.25 0.00 3.83 1.01 0.17 -2.45 120.40 123.29 1kqc s VAL 191 Ca 0.47 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1kqc s VAL 191 Cb -0.33 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1kqc s VAL 191 CO 0.42 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1kqc n GLY 192 N 2.52 -0.77 3.01 4.51 0.00 0.04 -1.65 105.19 112.86 1kqc n GLY 192 Ca -0.15 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1kqc n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kqc s HIS 193 N -3.20 1.57 0.81 1.61 3.76 -1.26 -0.69 115.29 117.88 1kqc s HIS 193 Ca 0.00 -0.65 -0.12 0.00 -0.15 0.00 0.00 55.06 54.14 1kqc s HIS 193 Cb 0.00 -1.17 0.08 0.00 1.11 0.00 0.00 32.58 32.60 1kqc s HIS 193 CO 0.00 -0.36 1.14 -3.38 -0.85 0.00 0.00 174.74 171.29 1kqc s HIS 194 N 0.92 2.09 0.49 1.40 -3.43 -1.26 -0.37 115.29 115.12 1kqc s HIS 194 Ca -0.09 1.66 0.05 0.00 -0.80 0.00 0.00 55.06 55.88 1kqc s HIS 194 Cb -0.15 -3.27 0.03 0.00 -1.43 0.00 0.00 32.58 27.76 1kqc s HIS 194 CO 0.01 -2.37 0.67 -1.54 -2.00 0.00 0.00 174.74 169.51 1kqc s SER 195 N -2.72 5.45 0.62 7.38 1.04 -0.52 -4.23 113.70 120.71 1kqc s SER 195 Ca 0.67 -0.31 0.39 0.00 0.48 0.00 0.00 55.95 57.18 1kqc s SER 195 Cb -0.22 -0.65 2.01 0.00 0.10 0.00 0.00 66.02 67.26 1kqc s SER 195 CO 0.53 -0.97 2.23 -0.37 0.98 0.00 0.00 173.24 175.65 1kqc h VAL 196 N 0.37 0.12 0.00 5.02 -1.51 -1.96 -1.51 116.25 116.78 1kqc h VAL 196 Ca -0.40 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1kqc h VAL 196 Cb 1.29 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 1kqc h VAL 196 CO 0.47 0.02 0.00 -0.62 -1.23 0.00 0.00 177.57 176.21 1kqc n GLU 197 N -3.22 0.25 -1.93 5.19 4.71 -1.26 -4.64 120.64 119.75 1kqc n GLU 197 Ca -0.02 0.24 -0.24 0.00 -0.01 0.00 0.00 57.16 57.14 1kqc n GLU 197 Cb 0.15 -1.82 -0.07 0.00 -1.01 0.00 0.00 31.44 28.70 1kqc n GLU 197 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1kqc s ASP 198 N -4.50 4.68 0.48 1.62 2.15 -0.57 -4.76 116.67 115.78 1kqc s ASP 198 Ca 0.10 -0.97 0.15 0.00 0.43 0.00 0.00 52.55 52.26 1kqc s ASP 198 Cb 0.12 -2.57 1.16 0.00 -0.30 0.00 0.00 42.92 41.33 1kqc s ASP 198 CO 0.57 -3.32 2.07 2.19 -0.17 0.00 0.00 175.17 176.52 1kqc h PHE 199 N 10.97 0.19 0.00 -5.34 -0.00 -1.88 -1.90 116.94 118.98 1kqc h PHE 199 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.09 1kqc h PHE 199 Cb 0.98 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 36.87 1kqc h PHE 199 CO 1.18 0.11 0.00 -1.71 -0.00 0.00 0.00 178.31 177.88 1kqc n ASN 200 N -4.48 0.00 0.19 -0.68 5.15 -1.26 -1.61 115.26 112.56 1kqc n ASN 200 Ca 0.03 0.48 0.06 0.00 -0.60 0.00 0.00 54.58 54.55 1kqc n ASN 200 Cb 0.23 -0.49 0.30 0.00 -0.53 0.00 0.00 39.78 39.29 1kqc n ASN 200 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kqc h ALA 201 N 2.33 0.93 0.00 5.20 0.00 -1.67 -3.29 119.26 122.76 1kqc h ALA 201 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1kqc h ALA 201 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1kqc h ALA 201 CO 0.00 0.45 -1.78 0.25 0.00 0.00 0.00 179.25 178.17 1kqc n THR 202 N -3.42 0.00 -2.19 0.00 -2.24 -0.63 -4.98 114.28 100.82 1kqc n THR 202 Ca 0.00 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 1kqc n THR 202 Cb 0.54 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1kqc n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kqc s LEU 203 N -4.19 4.45 0.51 3.22 1.43 -1.13 -4.97 118.68 118.01 1kqc s LEU 203 Ca -0.06 2.60 -0.22 0.00 -1.03 0.00 0.00 54.13 55.42 1kqc s LEU 203 Cb 0.12 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 1kqc s LEU 203 CO 0.74 -0.46 1.28 -2.16 0.23 0.00 0.00 176.35 175.99 1kqc s PRO 204 N -1.73 3.38 0.47 1.29 0.04 -1.26 -4.98 135.00 132.21 1kqc s PRO 204 Ca 0.48 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 63.36 1kqc s PRO 204 Cb -0.38 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.76 1kqc s PRO 204 CO 0.50 -0.94 1.07 0.15 0.04 0.00 0.00 177.00 177.82 1kqc s LYS 205 N -2.83 3.84 -0.06 4.56 1.02 -1.26 -5.05 119.74 119.96 1kqc s LYS 205 Ca 0.68 1.48 0.00 0.00 0.02 0.00 0.00 55.97 58.16 1kqc s LYS 205 Cb -0.36 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1kqc s LYS 205 CO 0.42 -0.42 -0.04 0.45 -0.92 0.00 0.00 175.35 174.85 1kqc s SER 206 N -1.77 1.32 0.04 2.83 0.15 -1.26 -5.13 113.70 109.89 1kqc s SER 206 Ca 0.65 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 57.14 1kqc s SER 206 Cb -0.20 -0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 63.57 1kqc s SER 206 CO 0.25 -0.10 0.00 -0.13 1.20 0.00 0.00 173.24 174.46 1kqc s ARG 207 N 1.33 0.55 0.70 5.44 1.81 -1.26 -5.15 118.95 122.37 1kqc s ARG 207 Ca -0.04 -0.98 -0.13 0.00 -1.72 0.00 0.00 55.73 52.85 1kqc s ARG 207 Cb -0.14 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.58 1kqc s ARG 207 CO -0.02 -0.11 1.10 -0.51 -0.68 0.00 0.00 175.30 175.07 1kqc s LEU 208 N -2.44 3.25 0.64 2.53 1.43 -1.26 -4.99 118.68 117.83 1kqc s LEU 208 Ca -0.00 1.92 -0.16 0.00 -1.03 0.00 0.00 54.13 54.85 1kqc s LEU 208 Cb 0.02 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 1kqc s LEU 208 CO -0.07 -1.77 1.13 -2.16 0.23 0.00 0.00 176.35 173.71 1kqc s PRO 209 N -4.43 2.85 0.49 1.29 0.04 -1.26 -4.87 135.00 129.11 1kqc s PRO 209 Ca 0.64 1.49 0.14 0.00 0.04 0.00 0.00 61.00 63.31 1kqc s PRO 209 Cb -0.19 -1.95 1.15 0.00 0.04 0.00 0.00 34.50 33.55 1kqc s PRO 209 CO 0.47 -1.23 2.11 -0.07 0.04 0.00 0.00 177.00 178.33 1kqc h LEU 210 N 0.27 0.11 -2.59 -3.56 3.38 -1.96 -0.91 115.31 110.05 1kqc h LEU 210 Ca -0.48 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1kqc h LEU 210 Cb 1.26 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1kqc h LEU 210 CO 0.54 0.10 -0.01 0.77 0.09 0.00 0.00 178.44 179.92 1kqc h SER 211 N 0.12 0.00 0.00 -0.43 4.64 -1.92 0.16 113.55 116.13 1kqc h SER 211 Ca 0.03 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.03 1kqc h SER 211 Cb 0.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 1kqc h SER 211 CO -0.00 0.01 -1.76 0.41 -0.87 0.00 0.00 176.83 174.62 1kqc n THR 212 N -3.30 1.53 0.50 2.95 -1.04 -0.39 -4.63 114.28 109.91 1kqc n THR 212 Ca -0.02 -0.17 0.12 0.00 -2.04 0.00 0.00 64.05 61.94 1kqc n THR 212 Cb 0.12 -1.98 0.26 0.00 -1.82 0.00 0.00 70.33 66.91 1kqc n THR 212 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1kqc h ILE 213 N -1.00 0.00 -4.44 12.58 3.07 -1.33 -3.46 117.51 122.93 1kqc h ILE 213 Ca -0.49 -0.61 -0.70 0.00 1.55 0.00 0.00 64.86 64.61 1kqc h ILE 213 Cb 1.42 1.44 -0.30 0.00 -0.27 0.00 0.00 36.82 39.11 1kqc h ILE 213 CO -0.30 0.00 -0.89 -0.69 -1.05 0.00 0.00 178.15 175.23 1kqc s VAL 214 N -3.16 2.05 -0.18 0.16 1.01 0.03 -5.07 120.40 115.25 1kqc s VAL 214 Ca 0.08 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1kqc s VAL 214 Cb 0.11 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.82 1kqc s VAL 214 CO 0.66 0.58 -0.13 -0.89 0.00 0.00 0.00 175.10 175.32 1kqc s THR 215 N -0.48 1.64 -0.13 3.92 2.01 -1.26 -4.71 115.64 116.63 1kqc s THR 215 Ca 0.06 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 1kqc s THR 215 Cb -0.11 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1kqc s THR 215 CO 0.00 0.32 0.29 -1.61 -0.69 0.00 0.00 174.62 172.93 1kqc s GLU 216 N 1.43 4.09 0.00 4.92 2.02 -1.26 -5.26 118.70 124.64 1kqc s GLU 216 Ca 0.02 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.13 1kqc s GLU 216 Cb -0.15 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1kqc s GLU 216 CO -0.10 0.39 0.07 0.00 0.02 0.00 0.00 175.26 175.64