#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 1.16 -0.25 5.18 6.09 -2.03 -2.42 117.51 125.25 1kqc h ILE 3 Ca 0.00 -1.30 -0.12 0.00 -1.37 0.00 0.00 64.86 62.07 1kqc h ILE 3 Cb 0.00 1.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.00 1kqc h ILE 3 CO 0.00 0.36 -0.35 0.40 -3.07 0.00 0.00 178.15 175.49 1kqc h ILE 4 N 0.00 1.29 -0.43 2.19 1.08 -2.05 -0.55 117.51 119.04 1kqc h ILE 4 Ca -0.00 -1.48 -0.09 0.00 -0.39 0.00 0.00 64.86 62.90 1kqc h ILE 4 Cb 0.69 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 1kqc h ILE 4 CO 0.05 0.47 -0.11 0.28 -0.69 0.00 0.00 178.15 178.14 1kqc h SER 5 N 0.46 0.77 0.01 1.72 0.02 -1.88 -0.77 113.55 113.88 1kqc h SER 5 Ca 0.05 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1kqc h SER 5 Cb 0.83 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1kqc h SER 5 CO 0.07 0.90 -0.01 0.58 -1.14 0.00 0.00 176.83 177.23 1kqc h VAL 6 N 0.70 1.09 -0.79 2.27 2.07 -0.98 -0.53 116.25 120.08 1kqc h VAL 6 Ca 0.12 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1kqc h VAL 6 Cb 0.59 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1kqc h VAL 6 CO 0.04 0.08 0.52 0.00 0.02 0.00 0.00 177.57 178.23 1kqc h ALA 7 N 0.82 1.61 0.00 1.67 0.00 -0.83 0.13 119.26 122.66 1kqc h ALA 7 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kqc h ALA 7 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1kqc h ALA 7 CO 0.00 0.27 -0.13 1.28 0.00 0.00 0.00 179.25 180.68 1kqc n LEU 8 N -4.48 0.64 -0.07 0.00 4.77 -0.32 -4.10 117.00 113.44 1kqc n LEU 8 Ca 0.11 0.48 -0.07 0.00 -0.03 0.00 0.00 56.01 56.50 1kqc n LEU 8 Cb 0.20 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 1kqc n LEU 8 CO 0.34 -0.12 -0.96 1.17 -1.33 0.00 0.00 177.39 176.49 1kqc n LYS 9 N -2.07 1.64 -1.50 3.23 3.00 -0.23 -4.92 118.16 117.31 1kqc n LYS 9 Ca 0.05 -0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.01 1kqc n LYS 9 Cb 0.41 -1.36 0.09 0.00 0.00 0.00 0.00 35.03 34.17 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 -2.55 0.75 -3.65 1.64 1.85 0.36 -5.02 116.66 110.05 1kqc n ARG 10 Ca -0.23 0.32 -0.10 0.00 -1.00 0.00 0.00 57.85 56.83 1kqc n ARG 10 Cb 0.95 -2.44 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 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 -1.66 -0.19 -0.37 2.89 -3.43 -1.26 -5.00 115.29 106.27 1kqc s HIS 11 Ca 0.78 -0.14 -0.29 0.00 -0.80 0.00 0.00 55.06 54.62 1kqc s HIS 11 Cb -0.35 0.25 0.01 0.00 -1.43 0.00 0.00 32.58 31.05 1kqc s HIS 11 CO 0.45 -0.70 1.36 -1.12 -2.00 0.00 0.00 174.74 172.73 1kqc s SER 12 N -2.81 6.47 0.12 7.38 0.01 -1.26 -4.49 113.70 119.12 1kqc s SER 12 Ca 0.03 0.96 -0.31 0.00 1.31 0.00 0.00 55.95 57.95 1kqc s SER 12 Cb 0.02 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.64 1kqc s SER 12 CO -0.12 -1.29 1.27 -0.89 0.41 0.00 0.00 173.24 172.62 1kqc s THR 13 N 5.00 3.60 -1.61 1.44 2.01 -0.74 -4.80 115.64 120.55 1kqc s THR 13 Ca 0.59 1.21 0.17 0.00 0.31 0.00 0.00 61.69 63.96 1kqc s THR 13 Cb -0.15 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1kqc s THR 13 CO 0.29 0.12 0.90 0.29 -0.69 0.00 0.00 174.62 175.53 1kqc n LYS 14 N 3.49 1.61 -3.65 4.92 4.76 -1.26 -4.64 118.16 123.39 1kqc n LYS 14 Ca 0.08 -0.92 -0.06 0.00 -2.87 0.00 0.00 58.31 54.54 1kqc n LYS 14 Cb 0.44 -1.30 -0.07 0.00 -1.84 0.00 0.00 35.03 32.27 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 -1.88 -1.77 0.16 7.82 0.00 -1.26 -4.80 121.76 120.04 1kqc s ALA 15 Ca 0.15 2.24 0.06 0.00 0.00 0.00 0.00 51.96 54.41 1kqc s ALA 15 Cb 0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1kqc s ALA 15 CO 0.39 -0.50 0.05 -0.06 0.00 0.00 0.00 175.76 175.65 1kqc s PHE 16 N 1.92 2.98 -0.50 0.00 0.40 -1.26 -0.14 117.98 121.38 1kqc s PHE 16 Ca -0.09 -0.08 -0.23 0.00 -0.60 0.00 0.00 56.93 55.93 1kqc s PHE 16 Cb -0.07 -1.45 0.04 0.00 0.51 0.00 0.00 43.02 42.04 1kqc s PHE 16 CO -0.18 0.52 0.86 0.34 0.70 0.00 0.00 175.22 177.45 1kqc s ASP 17 N -2.93 6.37 0.12 1.36 -1.08 0.44 -4.43 116.67 116.52 1kqc s ASP 17 Ca 0.29 -0.27 0.16 0.00 -0.52 0.00 0.00 52.55 52.21 1kqc s ASP 17 Cb -0.10 -2.41 0.72 0.00 -1.46 0.00 0.00 42.92 39.67 1kqc s ASP 17 CO 0.20 -1.08 1.51 0.00 0.52 0.00 0.00 175.17 176.33 1kqc n ALA 18 N 7.07 1.51 1.13 3.66 0.00 -1.22 -2.19 120.51 130.47 1kqc n ALA 18 Ca 0.02 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1kqc n ALA 18 Cb 0.48 -1.27 0.21 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.84 1.33 -4.17 0.00 3.41 -1.26 -4.75 113.62 106.34 1kqc n SER 19 Ca 0.02 -1.07 -0.39 0.00 -0.26 0.00 0.00 58.87 57.17 1kqc n SER 19 Cb 0.15 0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.56 2.34 0.36 4.33 1.02 -0.93 -5.08 119.74 119.22 1kqc s LYS 20 Ca 0.20 -1.86 -0.07 0.00 0.02 0.00 0.00 55.97 54.27 1kqc s LYS 20 Cb 0.19 -3.80 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 1kqc s LYS 20 CO 0.57 -1.15 0.66 0.15 -0.92 0.00 0.00 175.35 174.66 1kqc s LYS 21 N 1.15 3.67 0.60 1.68 -0.14 -1.26 -4.45 119.74 120.98 1kqc s LYS 21 Ca 0.08 0.19 -0.17 0.00 -1.36 0.00 0.00 55.97 54.70 1kqc s LYS 21 Cb -0.24 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.36 1kqc s LYS 21 CO -0.02 0.06 1.10 -0.51 -0.76 0.00 0.00 175.35 175.22 1kqc s LEU 22 N -3.85 3.56 0.82 3.17 1.43 -1.26 -5.01 118.68 117.54 1kqc s LEU 22 Ca 0.47 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 1kqc s LEU 22 Cb -0.10 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.64 1kqc s LEU 22 CO 0.33 -1.36 1.14 0.42 0.23 0.00 0.00 176.35 177.10 1kqc s THR 23 N -2.14 2.43 0.27 5.49 -4.23 -1.26 -4.84 115.64 111.36 1kqc s THR 23 Ca 0.68 0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 1kqc s THR 23 Cb -0.21 -3.01 0.24 0.00 1.34 0.00 0.00 72.50 70.86 1kqc s THR 23 CO 0.34 -0.18 1.92 0.00 -0.54 0.00 0.00 174.62 176.16 1kqc h ALA 24 N -1.14 1.31 -0.56 3.99 0.00 -1.99 -1.57 119.26 119.29 1kqc h ALA 24 Ca -0.47 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1kqc h ALA 24 Cb 1.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1kqc h ALA 24 CO 0.63 0.61 -0.08 1.49 0.00 0.00 0.00 179.25 181.90 1kqc h GLU 25 N 1.19 1.04 -0.56 0.00 4.81 -2.00 -2.13 114.58 116.95 1kqc h GLU 25 Ca 0.31 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1kqc h GLU 25 Cb -0.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1kqc h GLU 25 CO -0.06 1.07 -0.03 0.93 -0.73 0.00 0.00 179.01 180.19 1kqc h GLU 26 N 0.93 0.98 -0.68 1.92 5.08 -1.84 -0.97 114.58 120.00 1kqc h GLU 26 Ca 0.15 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1kqc h GLU 26 Cb 0.65 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1kqc h GLU 26 CO 0.04 0.98 0.38 0.00 -1.00 0.00 0.00 179.01 179.42 1kqc h ALA 27 N 1.06 1.39 -0.21 3.43 0.00 -1.08 -0.80 119.26 123.04 1kqc h ALA 27 Ca 0.16 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1kqc h ALA 27 Cb 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1kqc h ALA 27 CO 0.03 0.51 -0.63 0.93 0.00 0.00 0.00 179.25 180.09 1kqc h GLU 28 N 0.95 0.73 -0.39 0.00 4.39 -0.98 -3.17 114.58 116.10 1kqc h GLU 28 Ca 0.24 -0.51 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 1kqc h GLU 28 Cb 0.01 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1kqc h GLU 28 CO -0.04 1.13 -0.16 0.87 -1.16 0.00 0.00 179.01 179.65 1kqc h LYS 29 N 0.54 0.73 0.00 2.33 1.57 -0.50 -2.30 116.57 118.93 1kqc h LYS 29 Ca -0.01 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1kqc h LYS 29 Cb 1.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1kqc h LYS 29 CO 0.13 0.85 -0.37 -0.84 -0.57 0.00 0.00 179.45 178.65 1kqc h ILE 30 N 0.65 1.08 -0.16 1.86 3.07 -1.20 -1.59 117.51 121.22 1kqc h ILE 30 Ca 0.10 -1.36 -0.18 0.00 1.55 0.00 0.00 64.86 64.97 1kqc h ILE 30 Cb 0.64 1.78 -0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1kqc h ILE 30 CO 0.04 0.36 -0.62 0.11 -1.05 0.00 0.00 178.15 177.00 1kqc h LYS 31 N 0.00 0.57 -0.64 0.16 1.57 -1.47 -2.41 116.57 114.35 1kqc h LYS 31 Ca -0.00 -0.40 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1kqc h LYS 31 Cb 0.75 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1kqc h LYS 31 CO 0.05 1.01 0.43 1.15 -0.57 0.00 0.00 179.45 181.52 1kqc h THR 32 N 0.42 1.17 -0.84 -0.16 2.02 -0.85 -0.89 112.91 113.78 1kqc h THR 32 Ca -0.01 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1kqc h THR 32 Cb 1.19 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1kqc h THR 32 CO 0.12 0.16 0.55 -0.07 0.37 0.00 0.00 175.52 176.65 1kqc h LEU 33 N 0.87 0.96 -0.27 2.58 3.38 -1.12 -0.62 115.31 121.10 1kqc h LEU 33 Ca 0.24 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1kqc h LEU 33 Cb -0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1kqc h LEU 33 CO -0.05 0.69 0.07 -0.07 0.09 0.00 0.00 178.44 179.17 1kqc h LEU 34 N 1.13 0.41 -0.59 1.67 3.38 -0.93 -3.16 115.31 117.22 1kqc h LEU 34 Ca 0.31 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1kqc h LEU 34 Cb -0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1kqc h LEU 34 CO -0.07 0.53 0.03 -0.61 0.09 0.00 0.00 178.44 178.40 1kqc h GLN 35 N 0.27 1.02 -0.47 1.13 4.15 -0.86 -3.28 115.11 117.06 1kqc h GLN 35 Ca 0.09 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1kqc h GLN 35 Cb 0.27 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1kqc h GLN 35 CO 0.00 0.99 0.00 0.66 -1.93 0.00 0.00 178.83 178.55 1kqc n TYR 36 N -4.24 0.63 -1.89 3.99 4.02 -0.27 -4.93 117.16 114.48 1kqc n TYR 36 Ca 0.03 -0.31 -0.38 0.00 -0.01 0.00 0.00 57.90 57.23 1kqc n TYR 36 Cb 0.32 -0.01 0.04 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 -0.99 5.32 0.88 7.72 0.15 -1.19 -4.99 113.70 120.59 1kqc s SER 37 Ca 0.31 2.62 -0.13 0.00 0.70 0.00 0.00 55.95 59.45 1kqc s SER 37 Cb 0.16 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.97 1kqc s SER 37 CO 0.21 -1.52 1.20 -2.16 1.20 0.00 0.00 173.24 172.16 1kqc s PRO 38 N -2.99 1.41 -0.04 5.44 0.04 -1.26 -4.99 135.00 132.61 1kqc s PRO 38 Ca 0.72 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.51 1kqc s PRO 38 Cb -0.37 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.38 1kqc s PRO 38 CO 0.43 -1.96 0.88 -1.54 0.04 0.00 0.00 177.00 174.84 1kqc s SER 39 N -4.51 -0.41 0.12 6.66 1.04 -1.26 -4.77 113.70 110.58 1kqc s SER 39 Ca 0.65 0.18 -0.32 0.00 0.48 0.00 0.00 55.95 56.93 1kqc s SER 39 Cb -0.10 0.39 -0.12 0.00 0.10 0.00 0.00 66.02 66.29 1kqc s SER 39 CO 0.51 -0.57 1.76 -0.24 0.98 0.00 0.00 173.24 175.68 1kqc n SER 40 N 0.11 3.72 -1.31 7.02 2.88 -1.26 -0.92 113.62 123.86 1kqc n SER 40 Ca -0.11 1.02 -0.16 0.00 -1.33 0.00 0.00 58.87 58.30 1kqc n SER 40 Cb 0.60 -1.50 -0.07 0.00 -0.75 0.00 0.00 64.21 62.50 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 4.32 0.00 -3.30 2.46 -2.24 -1.26 -1.14 114.28 113.11 1kqc n THR 41 Ca 0.18 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.72 1kqc n THR 41 Cb 0.34 -1.64 0.04 0.00 -2.10 0.00 0.00 70.33 66.96 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 -1.04 -5.62 0.27 3.42 5.15 -0.10 -4.87 115.26 112.47 1kqc n ASN 42 Ca -0.16 -0.41 0.14 0.00 -0.60 0.00 0.00 54.58 53.55 1kqc n ASN 42 Cb 0.59 -4.52 0.73 0.00 -0.53 0.00 0.00 39.78 36.05 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 -1.67 0.00 -6.87 1.20 4.64 -1.31 -3.47 113.55 106.07 1kqc h SER 43 Ca -0.53 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.34 1kqc h SER 43 Cb 1.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.37 1kqc h SER 43 CO 0.57 0.10 -0.74 0.00 -0.87 0.00 0.00 176.83 175.89 1kqc n GLN 44 N -3.40 -0.64 -0.94 4.77 6.02 -1.26 -4.72 117.38 117.21 1kqc n GLN 44 Ca -0.01 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 1kqc n GLN 44 Cb 0.27 -2.03 -0.15 0.00 1.02 0.00 0.00 30.24 29.36 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 -3.89 1.96 -4.20 -1.09 -0.04 -1.26 -4.87 135.00 121.62 1kqc n PRO 45 Ca -0.15 -1.01 -0.12 0.00 -0.04 0.00 0.00 63.50 62.17 1kqc n PRO 45 Cb 0.46 -2.02 -0.10 0.00 -0.04 0.00 0.00 33.50 31.80 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 1.27 1.18 -0.06 0.54 -2.14 -1.26 -1.57 118.94 116.90 1kqc s TRP 46 Ca 0.62 -1.38 -0.16 0.00 2.66 0.00 0.00 56.10 57.83 1kqc s TRP 46 Cb 0.28 -0.55 0.03 0.00 -3.10 0.00 0.00 33.47 30.13 1kqc s TRP 46 CO -0.00 -0.67 0.37 -1.58 -2.66 0.00 0.00 176.95 172.41 1kqc s HIS 47 N -4.10 -0.30 -0.03 1.66 2.46 -0.65 -4.91 115.29 109.42 1kqc s HIS 47 Ca 0.39 0.57 0.03 0.00 0.47 0.00 0.00 55.06 56.52 1kqc s HIS 47 Cb 0.06 0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.65 1kqc s HIS 47 CO 0.13 -0.36 -0.12 -0.06 -2.47 0.00 0.00 174.74 171.86 1kqc s PHE 48 N -0.87 1.22 -0.24 3.88 0.08 -1.26 -0.96 117.98 119.83 1kqc s PHE 48 Ca -0.09 -0.32 -0.08 0.00 0.12 0.00 0.00 56.93 56.55 1kqc s PHE 48 Cb -0.04 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.53 1kqc s PHE 48 CO 0.04 -0.12 0.09 0.42 -0.10 0.00 0.00 175.22 175.55 1kqc s ILE 49 N 0.12 4.58 -0.44 0.64 1.01 -0.92 -4.93 121.20 121.26 1kqc s ILE 49 Ca -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 1kqc s ILE 49 Cb -0.09 -3.13 0.12 0.00 0.01 0.00 0.00 42.46 39.36 1kqc s ILE 49 CO 0.01 0.35 0.23 -0.69 0.00 0.00 0.00 174.94 174.84 1kqc s VAL 50 N 1.40 3.29 -0.22 2.92 1.01 -1.26 -0.55 120.40 126.99 1kqc s VAL 50 Ca 0.06 -2.20 -0.18 0.00 0.00 0.00 0.00 61.98 59.65 1kqc s VAL 50 Cb -0.15 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1kqc s VAL 50 CO 0.05 -0.71 0.52 0.00 0.00 0.00 0.00 175.10 174.95 1kqc s ALA 51 N 0.96 3.56 0.00 5.51 0.00 0.02 -4.90 121.76 126.91 1kqc s ALA 51 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1kqc s ALA 51 Cb -0.22 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1kqc s ALA 51 CO -0.04 -0.53 0.00 -1.13 0.00 0.00 0.00 175.76 174.06 1kqc n SER 52 N 5.01 2.37 -4.91 0.00 3.41 -1.26 -0.23 113.62 118.01 1kqc n SER 52 Ca -0.05 -0.16 -0.27 0.00 -0.26 0.00 0.00 58.87 58.14 1kqc n SER 52 Cb 0.50 0.79 0.01 0.00 -0.26 0.00 0.00 64.21 65.26 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 -1.27 4.46 0.12 6.66 -4.23 -1.26 -4.84 115.64 115.28 1kqc s THR 53 Ca 0.00 0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.39 1kqc s THR 53 Cb 0.00 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 70.07 1kqc s THR 53 CO 0.00 -0.69 1.72 -0.08 -0.54 0.00 0.00 174.62 175.03 1kqc h GLU 54 N 0.11 0.05 -0.71 3.99 4.81 -1.96 -0.77 114.58 120.10 1kqc h GLU 54 Ca -0.46 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 1kqc h GLU 54 Cb 1.22 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1kqc h GLU 54 CO 0.61 0.03 0.23 0.93 -0.73 0.00 0.00 179.01 180.08 1kqc h GLU 55 N 0.05 1.10 -0.32 1.92 5.08 -1.99 -1.01 114.58 119.42 1kqc h GLU 55 Ca 0.07 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1kqc h GLU 55 Cb 0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1kqc h GLU 55 CO -0.13 0.94 0.10 0.78 -1.00 0.00 0.00 179.01 179.70 1kqc h GLY 56 N 1.04 0.53 1.90 -3.84 0.00 -1.87 -1.40 103.07 99.43 1kqc h GLY 56 Ca 0.23 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1kqc h GLY 56 CO -0.01 0.29 -0.44 0.50 0.00 0.00 0.00 176.54 176.88 1kqc h LYS 57 N 0.36 0.11 -0.64 4.80 1.57 -1.07 -2.12 116.57 119.58 1kqc h LYS 57 Ca 0.10 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1kqc h LYS 57 Cb 0.24 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1kqc h LYS 57 CO -0.00 0.53 0.15 0.00 -0.57 0.00 0.00 179.45 179.56 1kqc h ALA 58 N 1.46 1.06 -0.18 3.86 0.00 -0.88 0.12 119.26 124.70 1kqc h ALA 58 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1kqc h ALA 58 Cb 0.82 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1kqc h ALA 58 CO 0.06 0.62 0.07 0.00 0.00 0.00 0.00 179.25 180.00 1kqc h ARG 59 N 0.96 0.27 -0.75 0.00 3.08 -0.74 -2.77 114.38 114.44 1kqc h ARG 59 Ca 0.20 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1kqc h ARG 59 Cb 0.35 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1kqc h ARG 59 CO 0.00 0.36 0.32 0.28 -1.07 0.00 0.00 179.97 179.86 1kqc h VAL 60 N 0.13 1.25 0.00 2.04 2.07 -1.12 -2.49 116.25 118.14 1kqc h VAL 60 Ca 0.06 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1kqc h VAL 60 Cb 0.19 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1kqc h VAL 60 CO -0.00 0.31 0.01 0.00 0.02 0.00 0.00 177.57 177.91 1kqc h ALA 61 N 1.16 1.01 0.00 1.67 0.00 -0.52 -1.55 119.26 121.02 1kqc h ALA 61 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1kqc h ALA 61 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1kqc h ALA 61 CO -0.02 -0.01 -0.03 0.87 0.00 0.00 0.00 179.25 180.06 1kqc h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.17 -0.31 116.57 116.66 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1kqc h LYS 62 CO 0.00 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 177.78 1kqc n SER 63 N -4.07 0.00 -0.00 0.86 3.41 -0.58 -3.06 113.62 110.17 1kqc n SER 63 Ca -0.03 0.41 0.08 0.00 -0.26 0.00 0.00 58.87 59.07 1kqc n SER 63 Cb 0.12 -0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 63.50 1kqc n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kqc n ALA 64 N -1.46 3.86 -0.60 7.33 0.00 -0.14 0.06 120.51 129.55 1kqc n ALA 64 Ca 0.06 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.73 1kqc n ALA 64 Cb 0.25 -0.63 0.22 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.80 0.32 0.00 0.00 0.00 -1.17 -0.05 121.76 118.06 1kqc s ALA 65 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1kqc s ALA 65 Cb 0.13 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1kqc s ALA 65 CO 0.72 -3.41 0.00 0.41 0.00 0.00 0.00 175.76 173.49 1kqc n GLY 66 N 0.56 2.81 0.36 0.00 0.00 -1.26 -3.56 105.19 104.11 1kqc n GLY 66 Ca 0.07 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 0.79 -0.84 2.61 2.02 -1.97 -2.24 112.91 113.28 1kqc h THR 67 Ca 0.00 -0.29 -0.37 0.00 0.77 0.00 0.00 66.41 66.52 1kqc h THR 67 Cb 0.00 -0.13 -0.22 0.00 -1.74 0.00 0.00 68.15 66.06 1kqc h THR 67 CO 0.00 0.15 0.45 -1.22 0.37 0.00 0.00 175.52 175.27 1kqc n TYR 68 N -4.70 2.67 0.01 3.16 4.01 -1.21 -4.63 117.16 116.47 1kqc n TYR 68 Ca 0.22 -1.57 0.22 0.00 -0.16 0.00 0.00 57.90 56.61 1kqc n TYR 68 Cb 0.49 -0.81 0.73 0.00 -0.31 0.00 0.00 39.34 39.44 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 1.67 0.54 0.00 -0.72 3.04 0.17 0.08 116.25 121.04 1kqc h VAL 69 Ca 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.15 1kqc h VAL 69 Cb 2.57 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 32.51 1kqc h VAL 69 CO 0.91 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 179.69 1kqc n PHE 70 N -4.06 0.00 0.47 3.17 1.16 -1.26 -1.33 117.46 115.60 1kqc n PHE 70 Ca 0.10 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.74 1kqc n PHE 70 Cb 0.67 -0.48 0.03 0.00 -1.61 0.00 0.00 39.48 38.09 1kqc n PHE 70 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1kqc n ASN 71 N -1.48 1.71 0.02 5.98 3.02 0.01 -4.73 115.26 119.79 1kqc n ASN 71 Ca 0.02 -1.36 -0.11 0.00 -0.03 0.00 0.00 54.58 53.10 1kqc n ASN 71 Cb 0.07 0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.87 0.03 0.00 3.52 4.81 -1.26 -2.86 114.58 120.68 1kqc h GLU 72 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1kqc h GLU 72 Cb 0.43 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1kqc h GLU 72 CO 0.00 0.02 -0.11 0.00 -0.73 0.00 0.00 179.01 178.18 1kqc h ARG 73 N 0.03 0.00 -0.81 1.92 3.08 -1.85 -1.96 114.38 114.78 1kqc h ARG 73 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1kqc h ARG 73 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1kqc h ARG 73 CO -0.03 0.11 0.40 0.87 -1.07 0.00 0.00 179.97 180.26 1kqc h LYS 74 N 0.00 1.17 0.02 0.04 1.57 -1.81 -1.44 116.57 116.11 1kqc h LYS 74 Ca -0.00 -0.17 -0.26 0.00 -1.87 0.00 0.00 60.65 58.35 1kqc h LYS 74 Cb 0.50 -0.21 0.02 0.00 0.08 0.00 0.00 32.23 32.61 1kqc h LYS 74 CO 0.01 0.89 -1.04 0.52 -0.57 0.00 0.00 179.45 179.27 1kqc h MET 75 N 1.15 0.58 0.03 3.15 2.86 -1.38 -3.11 114.93 118.21 1kqc h MET 75 Ca 0.28 -0.65 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1kqc h MET 75 Cb 0.11 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1kqc h MET 75 CO -0.04 1.26 -0.01 -0.07 1.06 0.00 0.00 176.91 179.10 1kqc h LEU 76 N 0.32 -0.03 -0.15 1.22 3.38 -1.22 -3.35 115.31 115.47 1kqc h LEU 76 Ca -0.12 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 1kqc h LEU 76 Cb 1.69 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 1kqc h LEU 76 CO 0.19 0.49 -0.08 0.44 0.09 0.00 0.00 178.44 179.58 1kqc h ASP 77 N -0.57 0.00 -4.27 -0.43 3.32 -1.42 -3.47 116.42 109.59 1kqc h ASP 77 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1kqc h ASP 77 Cb 0.52 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.25 1kqc h ASP 77 CO 0.01 0.08 0.27 0.00 -1.72 0.00 0.00 179.24 177.87 1kqc s ALA 78 N -3.22 1.73 -0.03 3.45 0.00 -1.17 -3.45 121.76 119.06 1kqc s ALA 78 Ca 0.06 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 1kqc s ALA 78 Cb 0.06 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 1kqc s ALA 78 CO 0.67 -2.43 0.80 1.03 0.00 0.00 0.00 175.76 175.83 1kqc h SER 79 N -1.49 -0.44 -3.71 0.00 0.87 -1.57 -3.45 113.55 103.75 1kqc h SER 79 Ca -0.44 -0.07 -0.56 0.00 -1.23 0.00 0.00 61.79 59.49 1kqc h SER 79 Cb 1.26 0.11 -0.32 0.00 -0.44 0.00 0.00 62.40 63.02 1kqc h SER 79 CO 0.45 -0.00 -0.84 -1.00 -0.53 0.00 0.00 176.83 174.91 1kqc s HIS 80 N -3.65 1.74 -0.18 2.24 3.76 -0.45 -4.47 115.29 114.28 1kqc s HIS 80 Ca -0.10 -0.57 -0.01 0.00 -0.15 0.00 0.00 55.06 54.23 1kqc s HIS 80 Cb 0.01 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.51 1kqc s HIS 80 CO 0.34 -0.22 -0.14 0.08 -0.85 0.00 0.00 174.74 173.95 1kqc s VAL 81 N 0.23 2.65 -0.21 -0.90 1.01 0.68 0.10 120.40 123.96 1kqc s VAL 81 Ca -0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1kqc s VAL 81 Cb -0.13 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1kqc s VAL 81 CO 0.03 0.50 0.09 -0.69 0.00 0.00 0.00 175.10 175.03 1kqc s VAL 82 N 1.18 4.84 -0.33 2.92 1.01 -0.53 -0.80 120.40 128.69 1kqc s VAL 82 Ca 0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 1kqc s VAL 82 Cb -0.14 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1kqc s VAL 82 CO -0.06 0.40 0.19 -0.69 0.00 0.00 0.00 175.10 174.94 1kqc s VAL 83 N 0.87 4.78 -0.27 2.92 1.01 0.29 0.40 120.40 130.39 1kqc s VAL 83 Ca 0.05 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1kqc s VAL 83 Cb -0.13 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1kqc s VAL 83 CO 0.03 -0.03 0.85 -0.36 0.00 0.00 0.00 175.10 175.59 1kqc s PHE 84 N 1.63 3.26 0.08 5.22 0.40 0.40 -2.17 117.98 126.80 1kqc s PHE 84 Ca 0.04 1.05 0.10 0.00 -0.60 0.00 0.00 56.93 57.52 1kqc s PHE 84 Cb -0.18 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.14 1kqc s PHE 84 CO 0.07 -0.50 -0.25 0.00 0.70 0.00 0.00 175.22 175.25 1kqc s ALA 86 N -0.94 2.96 0.66 0.00 0.00 -0.60 -1.64 121.76 122.20 1kqc s ALA 86 Ca 0.14 -1.38 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 1kqc s ALA 86 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1kqc s ALA 86 CO 0.05 0.53 1.16 0.15 0.00 0.00 0.00 175.76 177.65 1kqc s LYS 87 N -2.61 2.64 0.13 0.00 1.02 -0.61 -1.39 119.74 118.92 1kqc s LYS 87 Ca 0.24 1.60 0.23 0.00 0.02 0.00 0.00 55.97 58.06 1kqc s LYS 87 Cb -0.10 -1.91 0.18 0.00 -0.52 0.00 0.00 37.83 35.48 1kqc s LYS 87 CO 0.15 -1.41 1.17 0.25 -0.92 0.00 0.00 175.35 174.59 1kqc n THR 88 N -2.30 0.39 -3.60 2.17 -2.24 -0.73 -4.80 114.28 103.17 1kqc n THR 88 Ca 0.12 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1kqc n THR 88 Cb 0.51 -0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 1kqc n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kqc s ALA 89 N -3.23 -1.53 -0.50 6.98 0.00 -1.26 -4.54 121.76 117.67 1kqc s ALA 89 Ca 0.04 1.28 -0.20 0.00 0.00 0.00 0.00 51.96 53.07 1kqc s ALA 89 Cb 0.12 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 23.01 1kqc s ALA 89 CO 0.76 -0.33 0.66 1.41 0.00 0.00 0.00 175.76 178.26 1kqc s MET 90 N -0.77 3.17 0.22 0.00 1.75 -1.26 -5.04 119.30 117.36 1kqc s MET 90 Ca -0.08 -0.75 -0.09 0.00 -1.25 0.00 0.00 55.69 53.52 1kqc s MET 90 Cb -0.02 -4.07 -0.07 0.00 2.84 0.00 0.00 34.83 33.51 1kqc s MET 90 CO 0.06 -1.22 0.53 0.16 -0.65 0.00 0.00 175.02 173.90 1kqc s ASP 91 N 2.61 6.60 0.28 1.11 -4.77 -1.26 -4.99 116.67 116.25 1kqc s ASP 91 Ca 0.18 0.87 -0.01 0.00 -3.30 0.00 0.00 52.55 50.29 1kqc s ASP 91 Cb -0.18 -2.20 0.47 0.00 -1.09 0.00 0.00 42.92 39.92 1kqc s ASP 91 CO 0.14 -0.07 1.89 0.44 0.70 0.00 0.00 175.17 178.27 1kqc h ASP 92 N 2.52 0.98 -0.89 2.11 5.19 -2.00 -2.45 116.42 121.88 1kqc h ASP 92 Ca -0.47 0.01 0.12 0.00 -0.62 0.00 0.00 57.03 56.08 1kqc h ASP 92 Cb 1.17 -0.20 -0.08 0.00 0.18 0.00 0.00 39.33 40.40 1kqc h ASP 92 CO 0.69 0.62 0.51 0.00 -3.12 0.00 0.00 179.24 177.95 1kqc h ALA 93 N 1.48 1.33 -0.44 3.45 0.00 -1.99 0.67 119.26 123.76 1kqc h ALA 93 Ca 0.42 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 1kqc h ALA 93 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1kqc h ALA 93 CO -0.17 0.06 0.01 2.35 0.00 0.00 0.00 179.25 181.51 1kqc h TRP 94 N 0.79 0.84 -0.62 0.00 2.91 -1.85 -1.55 115.95 116.46 1kqc h TRP 94 Ca 0.46 -0.14 -0.01 0.00 1.13 0.00 0.00 58.89 60.32 1kqc h TRP 94 Cb 0.53 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 1kqc h TRP 94 CO -0.05 0.82 0.33 -0.07 -1.03 0.00 0.00 178.44 178.44 1kqc h LEU 95 N 0.62 0.76 -0.45 0.65 3.38 -0.99 -1.45 115.31 117.83 1kqc h LEU 95 Ca 0.13 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1kqc h LEU 95 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1kqc h LEU 95 CO 0.02 0.62 -0.19 -0.33 0.09 0.00 0.00 178.44 178.65 1kqc h GLU 96 N 0.86 0.92 -0.48 1.13 4.39 -0.67 -2.74 114.58 118.00 1kqc h GLU 96 Ca 0.22 -0.39 0.07 0.00 0.34 0.00 0.00 59.36 59.60 1kqc h GLU 96 Cb 0.03 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1kqc h GLU 96 CO -0.04 1.05 0.16 0.00 -1.16 0.00 0.00 179.01 179.02 1kqc h ARG 97 N 0.76 0.32 0.12 2.33 2.47 -0.43 0.94 114.38 120.89 1kqc h ARG 97 Ca 0.10 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1kqc h ARG 97 Cb 0.76 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1kqc h ARG 97 CO 0.06 0.21 -0.12 0.28 0.56 0.00 0.00 179.97 180.96 1kqc h VAL 98 N 0.33 0.73 -0.21 2.04 2.07 -1.18 -0.42 116.25 119.61 1kqc h VAL 98 Ca 0.23 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.65 1kqc h VAL 98 Cb 0.25 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1kqc h VAL 98 CO -0.24 0.00 -0.32 1.62 0.02 0.00 0.00 177.57 178.65 1kqc h VAL 99 N -0.27 1.28 -0.18 2.57 3.04 -1.20 -1.29 116.25 120.20 1kqc h VAL 99 Ca 0.01 -1.37 -0.12 0.00 -1.01 0.00 0.00 66.70 64.20 1kqc h VAL 99 Cb 0.26 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 1kqc h VAL 99 CO -0.04 0.43 -0.41 0.44 -1.01 0.00 0.00 177.57 176.98 1kqc h ASP 100 N 0.37 0.45 -0.36 3.17 3.32 -0.65 -1.43 116.42 121.29 1kqc h ASP 100 Ca 0.05 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 1kqc h ASP 100 Cb 0.74 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1kqc h ASP 100 CO 0.06 0.82 -0.26 -0.61 -1.72 0.00 0.00 179.24 177.53 1kqc h GLN 101 N 0.36 0.81 -0.68 3.56 5.75 -0.74 -0.97 115.11 123.20 1kqc h GLN 101 Ca 0.03 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 58.13 1kqc h GLN 101 Cb 0.88 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.39 1kqc h GLN 101 CO 0.07 1.02 0.38 0.93 -2.65 0.00 0.00 178.83 178.59 1kqc h GLU 102 N 0.61 0.93 -0.13 1.69 5.08 -1.04 0.60 114.58 122.32 1kqc h GLU 102 Ca 0.07 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1kqc h GLU 102 Cb 0.82 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1kqc h GLU 102 CO 0.07 0.68 0.00 1.49 -1.00 0.00 0.00 179.01 180.25 1kqc h GLU 103 N 0.94 0.23 -0.48 2.33 4.81 -0.98 -1.77 114.58 119.67 1kqc h GLU 103 Ca 0.24 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1kqc h GLU 103 Cb 0.01 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1kqc h GLU 103 CO -0.04 0.46 0.32 0.00 -0.73 0.00 0.00 179.01 179.02 1kqc h ALA 104 N 0.76 1.76 0.00 2.92 0.00 -0.66 0.22 119.26 124.27 1kqc h ALA 104 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kqc h ALA 104 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1kqc h ALA 104 CO 0.01 0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 1kqc n ASP 105 N -4.47 0.00 -0.80 0.00 8.00 0.16 -4.91 116.55 114.52 1kqc n ASP 105 Ca 0.05 -1.21 -0.05 0.00 0.71 0.00 0.00 54.79 54.29 1kqc n ASP 105 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.87 0.29 0.24 0.44 0.00 0.07 -4.96 105.19 102.14 1kqc n GLY 106 Ca 0.18 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.53 0.88 -5.21 1.61 1.74 -0.70 -4.84 116.66 108.60 1kqc n ARG 107 Ca -0.04 -0.48 -0.32 0.00 -0.77 0.00 0.00 57.85 56.24 1kqc n ARG 107 Cb 0.54 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.45 2.50 -0.66 -1.55 0.08 -1.26 -5.01 117.98 109.62 1kqc s PHE 108 Ca 0.26 -0.78 0.23 0.00 0.12 0.00 0.00 56.93 56.76 1kqc s PHE 108 Cb 0.20 -1.64 0.06 0.00 -0.57 0.00 0.00 43.02 41.06 1kqc s PHE 108 CO 0.50 -0.25 1.04 0.27 -0.10 0.00 0.00 175.22 176.67 1kqc n ASN 109 N 3.09 0.63 -3.84 1.36 2.04 -1.26 -4.96 115.26 112.31 1kqc n ASN 109 Ca -0.18 -0.28 -0.09 0.00 -0.44 0.00 0.00 54.58 53.60 1kqc n ASN 109 Cb 0.52 0.79 -0.07 0.00 -2.53 0.00 0.00 39.78 38.49 1kqc n ASN 109 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1kqc s THR 110 N -3.17 0.12 0.37 5.53 -4.23 -1.26 -5.03 115.64 107.97 1kqc s THR 110 Ca 0.04 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 1kqc s THR 110 Cb 0.15 -1.39 0.18 0.00 1.34 0.00 0.00 72.50 72.78 1kqc s THR 110 CO 0.80 -0.56 1.93 -0.65 -0.54 0.00 0.00 174.62 175.60 1kqc h PRO 111 N 2.67 0.46 -0.83 3.99 0.11 -2.00 -1.82 132.00 134.57 1kqc h PRO 111 Ca -0.34 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1kqc h PRO 111 Cb 1.21 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1kqc h PRO 111 CO 0.54 0.47 0.50 0.93 -0.21 0.00 0.00 178.00 180.23 1kqc h GLU 112 N 0.45 1.12 -0.70 1.05 3.07 -1.99 -1.12 114.58 116.45 1kqc h GLU 112 Ca 0.10 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1kqc h GLU 112 Cb 0.25 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1kqc h GLU 112 CO 0.00 0.78 0.24 0.00 -1.40 0.00 0.00 179.01 178.63 1kqc h ALA 113 N 1.42 0.92 -0.38 3.43 0.00 -1.74 -1.32 119.26 121.59 1kqc h ALA 113 Ca 0.30 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1kqc h ALA 113 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1kqc h ALA 113 CO -0.06 0.59 0.01 -0.22 0.00 0.00 0.00 179.25 179.57 1kqc h LYS 114 N 1.03 0.66 -0.83 0.00 3.64 -1.15 -1.92 116.57 118.01 1kqc h LYS 114 Ca 0.23 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1kqc h LYS 114 Cb 0.28 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1kqc h LYS 114 CO -0.01 0.76 0.55 0.00 -2.27 0.00 0.00 179.45 178.47 1kqc h ALA 115 N 0.88 1.06 -0.71 5.00 0.00 -0.99 0.86 119.26 125.36 1kqc h ALA 115 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1kqc h ALA 115 Cb 0.45 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1kqc h ALA 115 CO 0.02 0.45 0.16 0.00 0.00 0.00 0.00 179.25 179.88 1kqc h ALA 116 N 1.31 0.95 -0.61 0.00 0.00 -1.08 0.14 119.26 119.97 1kqc h ALA 116 Ca 0.31 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1kqc h ALA 116 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1kqc h ALA 116 CO -0.07 0.67 -0.01 -0.97 0.00 0.00 0.00 179.25 178.87 1kqc h ASN 117 N 1.07 1.06 -0.30 0.00 -0.73 -0.84 -1.16 115.58 114.68 1kqc h ASN 117 Ca 0.22 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 58.06 1kqc h ASN 117 Cb 0.39 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 1kqc h ASN 117 CO 0.00 1.11 0.09 -0.74 -0.37 0.00 0.00 177.43 177.52 1kqc h HIS 118 N 0.98 0.48 -0.76 0.67 2.76 -0.39 -1.84 115.15 117.06 1kqc h HIS 118 Ca 0.17 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1kqc h HIS 118 Cb 0.57 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.36 1kqc h HIS 118 CO 0.04 0.51 0.24 -0.22 -1.30 0.00 0.00 177.93 177.20 1kqc h LYS 119 N 0.32 1.17 -0.61 5.26 3.64 -0.52 -1.08 116.57 124.76 1kqc h LYS 119 Ca 0.10 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 1kqc h LYS 119 Cb 0.25 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1kqc h LYS 119 CO -0.00 0.99 -0.00 0.78 -2.27 0.00 0.00 179.45 178.95 1kqc h GLY 120 N 1.13 1.15 1.05 5.01 0.00 -1.12 -1.08 103.07 109.21 1kqc h GLY 120 Ca 0.25 -0.85 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 1kqc h GLY 120 CO -0.01 0.78 0.11 -0.09 0.00 0.00 0.00 176.54 177.33 1kqc h ARG 121 N 0.97 1.05 -0.59 4.80 2.43 -1.06 -2.43 114.38 119.55 1kqc h ARG 121 Ca 0.17 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1kqc h ARG 121 Cb 0.56 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1kqc h ARG 121 CO 0.03 0.97 0.21 1.15 -1.51 0.00 0.00 179.97 180.82 1kqc h THR 122 N 0.97 1.22 -0.04 0.20 2.02 -0.96 -0.31 112.91 116.01 1kqc h THR 122 Ca 0.19 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1kqc h THR 122 Cb 0.42 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1kqc h THR 122 CO 0.01 0.28 -0.05 0.22 0.37 0.00 0.00 175.52 176.35 1kqc h TYR 123 N 0.85 -0.12 -0.38 3.16 5.03 -0.73 0.81 116.97 125.60 1kqc h TYR 123 Ca 0.20 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.40 1kqc h TYR 123 Cb 0.21 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 1kqc h TYR 123 CO 0.01 -0.08 -0.20 0.74 -1.32 0.00 0.00 178.16 177.31 1kqc h PHE 124 N -0.07 0.94 -0.35 -3.82 0.04 -1.27 -1.54 116.94 110.87 1kqc h PHE 124 Ca 0.04 -0.24 0.04 0.00 2.80 0.00 0.00 57.97 60.61 1kqc h PHE 124 Cb 0.12 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 1kqc h PHE 124 CO -0.14 1.00 0.10 0.00 -0.60 0.00 0.00 178.31 178.67 1kqc h ALA 125 N 0.80 0.39 0.00 2.45 0.00 -0.80 -2.20 119.26 119.90 1kqc h ALA 125 Ca 0.08 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1kqc h ALA 125 Cb 0.76 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1kqc h ALA 125 CO 0.06 -0.29 -0.41 -0.44 0.00 0.00 0.00 179.25 178.17 1kqc h ASP 126 N 0.24 0.00 -0.76 0.00 3.32 -0.79 0.13 116.42 118.56 1kqc h ASP 126 Ca 0.16 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1kqc h ASP 126 Cb 0.15 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1kqc h ASP 126 CO -0.18 0.41 0.50 -0.03 -1.72 0.00 0.00 179.24 178.22 1kqc h MET 127 N 0.00 0.97 0.08 3.56 4.05 -0.64 0.12 114.93 123.06 1kqc h MET 127 Ca -0.00 -0.06 -0.26 0.00 -0.28 0.00 0.00 59.70 59.10 1kqc h MET 127 Cb 0.87 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1kqc h MET 127 CO 0.05 0.64 -1.35 0.45 0.23 0.00 0.00 176.91 176.93 1kqc h HIS 128 N 0.99 0.32 -0.39 1.39 3.86 -1.20 -0.03 115.15 120.09 1kqc h HIS 128 Ca 0.29 -0.23 -0.12 0.00 -1.16 0.00 0.00 60.37 59.15 1kqc h HIS 128 Cb -0.06 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1kqc h HIS 128 CO -0.00 1.53 -0.23 0.00 0.86 0.00 0.00 177.93 180.09 1kqc h ARG 129 N -0.46 0.78 0.00 2.45 3.08 -0.68 0.29 114.38 119.84 1kqc h ARG 129 Ca -0.31 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1kqc h ARG 129 Cb 1.64 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.66 1kqc h ARG 129 CO -0.00 0.94 -0.18 0.28 -1.07 0.00 0.00 179.97 179.93 1kqc n VAL 130 N -4.11 0.29 0.28 2.04 0.31 0.38 -4.27 118.33 113.25 1kqc n VAL 130 Ca 0.00 0.40 -0.16 0.00 -0.01 0.00 0.00 64.34 64.57 1kqc n VAL 130 Cb 0.44 -1.62 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.18 -0.81 0.87 4.52 3.32 -1.46 -3.28 116.42 119.40 1kqc h ASP 131 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1kqc h ASP 131 Cb 0.18 0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1kqc h ASP 131 CO 0.00 -0.49 -0.87 0.18 -1.72 0.00 0.00 179.24 176.34 1kqc n LEU 132 N -5.45 0.76 -3.86 1.55 4.77 -0.03 -4.98 117.00 109.77 1kqc n LEU 132 Ca -0.11 0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 55.86 1kqc n LEU 132 Cb 0.35 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1kqc n LEU 132 CO 0.33 -0.11 -0.10 0.29 -1.33 0.00 0.00 177.39 176.47 1kqc n LYS 133 N -2.37 -4.31 -1.49 3.23 4.76 0.80 -4.89 118.16 113.89 1kqc n LYS 133 Ca 0.01 0.52 0.04 0.00 -2.87 0.00 0.00 58.31 56.01 1kqc n LYS 133 Cb 0.49 -4.98 0.02 0.00 -1.84 0.00 0.00 35.03 28.71 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 -2.97 0.92 0.26 4.39 5.75 0.06 -4.89 116.55 120.07 1kqc n ASP 134 Ca -0.23 -2.00 0.10 0.00 -0.01 0.00 0.00 54.79 52.65 1kqc n ASP 134 Cb 0.65 -0.28 0.70 0.00 -1.03 0.00 0.00 41.12 41.16 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 0.97 0.00 -0.60 -1.12 2.03 -1.89 -0.18 116.42 115.63 1kqc h ASP 135 Ca -0.24 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.98 1kqc h ASP 135 Cb 1.87 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.35 1kqc h ASP 135 CO 0.08 0.06 0.09 -2.24 -1.03 0.00 0.00 179.24 176.20 1kqc h ASP 136 N 0.00 0.97 -0.31 4.15 -0.00 -1.90 -0.79 116.42 118.54 1kqc h ASP 136 Ca -0.00 -0.27 -0.18 0.00 -0.00 0.00 0.00 57.03 56.58 1kqc h ASP 136 Cb 0.12 -0.26 -0.00 0.00 -0.00 0.00 0.00 39.33 39.19 1kqc h ASP 136 CO 0.01 0.99 -0.51 1.56 -0.00 0.00 0.00 179.24 181.29 1kqc h GLN 137 N 0.91 0.89 -0.53 4.15 1.08 -1.64 -1.83 115.11 118.14 1kqc h GLN 137 Ca 0.18 -0.54 0.02 0.00 -1.45 0.00 0.00 58.65 56.86 1kqc h GLN 137 Cb 0.44 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 1kqc h GLN 137 CO 0.01 1.18 0.32 2.35 -0.95 0.00 0.00 178.83 181.74 1kqc h TRP 138 N 0.68 0.59 -0.25 2.96 7.01 -0.86 -0.84 115.95 125.25 1kqc h TRP 138 Ca 0.02 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 60.88 1kqc h TRP 138 Cb 1.12 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.98 1kqc h TRP 138 CO 0.07 0.34 -0.49 0.52 -2.79 0.00 0.00 178.44 176.09 1kqc h MET 139 N 0.63 0.67 -0.60 2.65 2.86 -1.13 -2.86 114.93 117.15 1kqc h MET 139 Ca 0.21 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1kqc h MET 139 Cb 0.02 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1kqc h MET 139 CO -0.10 1.01 0.29 0.00 1.06 0.00 0.00 176.91 179.17 1kqc h ALA 140 N 0.92 1.39 -0.19 6.32 0.00 -0.96 -1.72 119.26 125.02 1kqc h ALA 140 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1kqc h ALA 140 Cb 1.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1kqc h ALA 140 CO 0.10 0.48 -0.19 0.87 0.00 0.00 0.00 179.25 180.51 1kqc h LYS 141 N 0.84 0.33 -0.16 0.00 1.57 -0.95 -1.24 116.57 116.97 1kqc h LYS 141 Ca 0.21 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 1kqc h LYS 141 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1kqc h LYS 141 CO -0.03 0.51 -0.50 1.96 -0.57 0.00 0.00 179.45 180.83 1kqc h GLN 142 N 0.30 0.42 -0.52 3.15 1.08 -1.16 -1.72 115.11 116.67 1kqc h GLN 142 Ca 0.05 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 56.90 1kqc h GLN 142 Cb 0.51 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1kqc h GLN 142 CO 0.03 0.82 -0.11 0.28 -0.95 0.00 0.00 178.83 178.90 1kqc h VAL 143 N 0.33 1.27 -0.62 -0.54 2.07 -0.72 -1.57 116.25 116.47 1kqc h VAL 143 Ca 0.02 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 1kqc h VAL 143 Cb 0.99 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1kqc h VAL 143 CO 0.09 0.44 0.16 1.88 0.02 0.00 0.00 177.57 180.16 1kqc h TYR 144 N 0.86 0.98 -0.87 1.57 -1.99 -1.04 -0.76 116.97 115.72 1kqc h TYR 144 Ca 0.13 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1kqc h TYR 144 Cb 0.68 -0.29 -0.04 0.00 2.00 0.00 0.00 36.73 39.08 1kqc h TYR 144 CO 0.05 0.81 0.54 1.25 -0.00 0.00 0.00 178.16 180.80 1kqc h LEU 145 N 0.91 1.03 -0.72 3.88 6.46 -0.98 -0.89 115.31 125.01 1kqc h LEU 145 Ca 0.20 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1kqc h LEU 145 Cb 0.31 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1kqc h LEU 145 CO -0.00 0.78 0.24 -1.13 -0.62 0.00 0.00 178.44 177.71 1kqc h ASN 146 N 1.19 1.04 -0.73 1.25 -0.73 -0.28 -1.64 115.58 115.69 1kqc h ASN 146 Ca 0.31 -0.20 -0.03 0.00 1.87 0.00 0.00 56.30 58.25 1kqc h ASN 146 Cb -0.07 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.21 1kqc h ASN 146 CO -0.06 0.97 0.36 0.58 -0.37 0.00 0.00 177.43 178.91 1kqc h VAL 147 N 1.06 1.24 -0.53 2.57 2.07 -0.24 0.76 116.25 123.18 1kqc h VAL 147 Ca 0.23 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1kqc h VAL 147 Cb 0.29 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1kqc h VAL 147 CO -0.01 0.28 0.08 1.23 0.02 0.00 0.00 177.57 179.17 1kqc h GLY 148 N 1.11 0.96 0.94 2.17 0.00 -0.62 -0.55 103.07 107.07 1kqc h GLY 148 Ca 0.26 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1kqc h GLY 148 CO -0.03 0.60 0.15 -0.57 0.00 0.00 0.00 176.54 176.68 1kqc h ASN 149 N 0.77 0.52 0.05 0.19 -1.24 -0.93 -3.10 115.58 111.85 1kqc h ASN 149 Ca 0.16 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 1kqc h ASN 149 Cb 0.42 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1kqc h ASN 149 CO 0.01 0.55 -0.03 0.15 -1.29 0.00 0.00 177.43 176.82 1kqc h PHE 150 N 0.46 -0.07 -0.63 0.67 3.57 -0.54 -0.66 116.94 119.74 1kqc h PHE 150 Ca 0.12 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1kqc h PHE 150 Cb 0.19 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 1kqc h PHE 150 CO -0.00 -0.01 0.34 -0.07 -2.23 0.00 0.00 178.31 176.34 1kqc h LEU 151 N -0.10 0.49 -0.43 0.59 3.38 -1.13 0.87 115.31 118.97 1kqc h LEU 151 Ca -0.01 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1kqc h LEU 151 Cb 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1kqc h LEU 151 CO 0.01 0.32 -0.23 0.25 0.09 0.00 0.00 178.44 178.88 1kqc h LEU 152 N 0.63 0.95 0.10 1.67 5.85 -1.46 -2.07 115.31 120.97 1kqc h LEU 152 Ca 0.29 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1kqc h LEU 152 Cb 0.19 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1kqc h LEU 152 CO -0.19 1.15 -0.16 1.23 -0.34 0.00 0.00 178.44 180.13 1kqc h GLY 153 N 0.75 -0.29 1.76 3.75 0.00 -0.28 -0.30 103.07 108.47 1kqc h GLY 153 Ca 0.09 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 1kqc h GLY 153 CO 0.07 -0.16 -0.08 -0.39 0.00 0.00 0.00 176.54 175.98 1kqc h VAL 154 N -0.32 1.17 -0.60 4.60 -1.51 -0.86 -1.94 116.25 116.80 1kqc h VAL 154 Ca 0.02 -0.73 -0.03 0.00 -1.23 0.00 0.00 66.70 64.73 1kqc h VAL 154 Cb 0.33 1.12 -0.03 0.00 -2.13 0.00 0.00 31.29 30.59 1kqc h VAL 154 CO -0.09 0.23 0.24 1.23 -1.23 0.00 0.00 177.57 177.96 1kqc h GLY 155 N 0.72 0.96 2.00 5.19 0.00 -0.75 -0.79 103.07 110.41 1kqc h GLY 155 Ca 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1kqc h GLY 155 CO 0.02 0.49 -0.19 0.00 0.00 0.00 0.00 176.54 176.86 1kqc h ALA 156 N 1.09 1.22 0.00 3.60 0.00 -0.35 -1.44 119.26 123.38 1kqc h ALA 156 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kqc h ALA 156 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kqc h ALA 156 CO -0.02 0.24 0.00 -1.33 0.00 0.00 0.00 179.25 178.14 1kqc n MET 157 N -3.64 0.57 -0.81 0.00 2.81 -0.76 -4.87 117.12 110.42 1kqc n MET 157 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1kqc n MET 157 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.21 0.52 3.90 3.03 0.00 -0.54 -5.05 105.19 108.25 1kqc n GLY 158 Ca 0.17 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 4.10 0.14 0.99 1.43 -0.38 -5.03 118.68 119.93 1kqc s LEU 159 Ca 0.00 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1kqc s LEU 159 Cb 0.00 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1kqc s LEU 159 CO 0.00 -0.02 0.14 -1.81 0.23 0.00 0.00 176.35 174.89 1kqc s ASP 160 N -3.71 5.63 0.26 2.29 1.01 0.29 -4.04 116.67 118.40 1kqc s ASP 160 Ca 0.33 -0.06 -0.22 0.00 0.71 0.00 0.00 52.55 53.32 1kqc s ASP 160 Cb -0.09 -1.52 0.04 0.00 1.01 0.00 0.00 42.92 42.36 1kqc s ASP 160 CO 0.27 0.10 0.80 0.00 0.21 0.00 0.00 175.17 176.54 1kqc s ALA 161 N -1.65 -1.30 -0.21 5.23 0.00 -1.26 -0.86 121.76 121.71 1kqc s ALA 161 Ca 0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1kqc s ALA 161 Cb -0.11 0.78 0.08 0.00 0.00 0.00 0.00 23.12 23.87 1kqc s ALA 161 CO 0.24 -1.04 0.47 0.54 0.00 0.00 0.00 175.76 175.97 1kqc s VAL 162 N -3.54 -0.37 0.21 0.00 0.11 -1.01 -1.79 120.40 114.00 1kqc s VAL 162 Ca 0.12 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.98 1kqc s VAL 162 Cb -0.05 -0.72 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 1kqc s VAL 162 CO 0.06 0.04 0.94 -2.16 -3.33 0.00 0.00 175.10 170.65 1kqc s PRO 163 N 2.07 4.82 -0.10 1.54 0.04 -1.26 -3.24 135.00 138.87 1kqc s PRO 163 Ca -0.06 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1kqc s PRO 163 Cb -0.10 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1kqc s PRO 163 CO -0.14 0.46 -0.09 0.42 0.04 0.00 0.00 177.00 177.68 1kqc s ILE 164 N -0.93 1.05 -0.20 0.56 1.01 0.99 -4.93 121.20 118.75 1kqc s ILE 164 Ca 0.42 -0.34 0.12 0.00 0.00 0.00 0.00 60.65 60.85 1kqc s ILE 164 Cb -0.25 -1.03 -0.17 0.00 0.01 0.00 0.00 42.46 41.01 1kqc s ILE 164 CO 0.31 0.36 0.35 -0.62 0.00 0.00 0.00 174.94 175.35 1kqc n GLU 165 N 4.61 1.30 -1.73 2.79 1.02 -1.26 -1.49 120.64 125.88 1kqc n GLU 165 Ca -0.16 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.49 1kqc n GLU 165 Cb 0.50 -1.21 -0.00 0.00 -0.02 0.00 0.00 31.44 30.71 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 1.62 4.20 3.32 0.62 0.00 -1.26 -4.84 105.19 108.86 1kqc n GLY 166 Ca -0.01 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 3.39 -0.23 -0.69 1.61 -0.71 -1.26 -4.79 117.98 115.31 1kqc s PHE 167 Ca 0.48 -0.06 -0.23 0.00 -1.04 0.00 0.00 56.93 56.09 1kqc s PHE 167 Cb 0.14 0.27 0.07 0.00 -1.21 0.00 0.00 43.02 42.29 1kqc s PHE 167 CO -0.07 -0.69 1.00 0.34 -1.34 0.00 0.00 175.22 174.46 1kqc s ASP 168 N -2.72 6.21 0.48 1.98 -1.08 0.11 -4.89 116.67 116.76 1kqc s ASP 168 Ca 0.02 -1.05 0.21 0.00 -0.52 0.00 0.00 52.55 51.21 1kqc s ASP 168 Cb 0.01 -2.43 1.20 0.00 -1.46 0.00 0.00 42.92 40.25 1kqc s ASP 168 CO -0.11 -1.44 2.01 0.00 0.52 0.00 0.00 175.17 176.16 1kqc h ALA 169 N 9.54 1.44 -0.20 3.66 0.00 -1.88 -0.96 119.26 130.86 1kqc h ALA 169 Ca -0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1kqc h ALA 169 Cb 1.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1kqc h ALA 169 CO 1.19 0.21 0.00 0.00 0.00 0.00 0.00 179.25 180.65 1kqc h ALA 170 N 1.83 0.27 -0.50 0.00 0.00 -1.94 0.91 119.26 119.84 1kqc h ALA 170 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1kqc h ALA 170 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1kqc h ALA 170 CO 0.02 -0.01 0.13 0.82 0.00 0.00 0.00 179.25 180.21 1kqc h ILE 171 N 0.12 1.24 -0.39 0.00 2.04 -1.81 -1.85 117.51 116.86 1kqc h ILE 171 Ca 0.06 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1kqc h ILE 171 Cb 0.39 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1kqc h ILE 171 CO 0.01 0.30 0.15 0.25 0.00 0.00 0.00 178.15 178.86 1kqc h LEU 172 N 0.68 0.54 -0.60 1.44 5.85 -1.04 0.28 115.31 122.47 1kqc h LEU 172 Ca 0.16 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1kqc h LEU 172 Cb 0.31 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1kqc h LEU 172 CO -0.00 0.56 0.31 0.44 -0.34 0.00 0.00 178.44 179.41 1kqc h ASP 173 N 0.48 0.76 -0.53 1.25 3.32 -0.74 -2.42 116.42 118.54 1kqc h ASP 173 Ca 0.13 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1kqc h ASP 173 Cb 0.20 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1kqc h ASP 173 CO -0.01 0.65 0.04 -0.33 -1.72 0.00 0.00 179.24 177.87 1kqc h GLU 174 N 0.81 0.96 -0.30 3.56 5.08 -1.11 -0.44 114.58 123.13 1kqc h GLU 174 Ca 0.21 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1kqc h GLU 174 Cb 0.07 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1kqc h GLU 174 CO -0.03 0.92 -0.05 1.49 -1.00 0.00 0.00 179.01 180.34 1kqc h GLU 175 N 0.89 0.48 -0.41 2.33 4.57 -0.64 -3.02 114.58 118.78 1kqc h GLU 175 Ca 0.17 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1kqc h GLU 175 Cb 0.47 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1kqc h GLU 175 CO 0.02 0.55 0.00 1.19 -1.18 0.00 0.00 179.01 179.59 1kqc n PHE 176 N -4.25 0.84 -3.13 0.92 3.72 -0.94 -4.97 117.46 109.64 1kqc n PHE 176 Ca 0.01 -0.62 -0.22 0.00 -0.05 0.00 0.00 57.45 56.57 1kqc n PHE 176 Cb 0.27 -0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.44 -0.50 0.26 1.37 0.00 -0.31 -4.88 105.19 101.57 1kqc n GLY 177 Ca 0.18 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.01 0.62 -0.14 0.99 3.38 -1.46 -3.19 115.31 114.50 1kqc h LEU 178 Ca -0.45 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.37 1kqc h LEU 178 Cb 1.31 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 1kqc h LEU 178 CO 0.53 0.77 -0.52 0.11 0.09 0.00 0.00 178.44 179.42 1kqc h LYS 179 N 0.58 -0.53 -0.12 1.13 1.79 -1.73 -0.74 116.57 116.93 1kqc h LYS 179 Ca 0.10 0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1kqc h LYS 179 Cb 0.55 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1kqc h LYS 179 CO 0.03 -0.35 0.07 0.93 -1.08 0.00 0.00 179.45 179.05 1kqc h GLU 180 N -0.55 0.16 0.00 3.15 3.07 -1.90 -1.39 114.58 117.13 1kqc h GLU 180 Ca 0.03 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1kqc h GLU 180 Cb 0.64 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1kqc h GLU 180 CO -0.42 0.12 0.00 1.63 -1.40 0.00 0.00 179.01 178.94 1kqc n LYS 181 N -4.51 0.13 -1.51 2.33 5.02 -0.53 -4.91 118.16 114.18 1kqc n LYS 181 Ca -0.01 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1kqc n LYS 181 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 1.27 0.80 3.22 0.72 0.00 -0.43 -5.04 105.19 105.74 1kqc n GLY 182 Ca 0.09 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.05 1.12 -0.12 1.61 0.08 -0.42 -1.77 117.98 116.43 1kqc s PHE 183 Ca 0.00 -1.05 -0.10 0.00 0.12 0.00 0.00 56.93 55.90 1kqc s PHE 183 Cb 0.00 -0.64 0.04 0.00 -0.57 0.00 0.00 43.02 41.85 1kqc s PHE 183 CO 0.00 -0.27 0.31 -0.08 -0.10 0.00 0.00 175.22 175.09 1kqc s THR 184 N -3.73 -0.01 0.17 0.64 -1.32 -0.49 -3.59 115.64 107.32 1kqc s THR 184 Ca 0.23 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.45 1kqc s THR 184 Cb 0.06 -0.45 -0.08 0.00 -1.51 0.00 0.00 72.50 70.52 1kqc s THR 184 CO 0.03 0.02 1.15 -0.94 -2.21 0.00 0.00 174.62 172.67 1kqc s SER 185 N 0.51 7.17 -0.07 8.08 1.04 -1.26 -1.56 113.70 127.61 1kqc s SER 185 Ca -0.03 2.15 -0.02 0.00 0.48 0.00 0.00 55.95 58.53 1kqc s SER 185 Cb -0.04 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 1kqc s SER 185 CO -0.03 -0.31 -0.08 0.18 0.98 0.00 0.00 173.24 173.98 1kqc n LEU 186 N 2.55 1.30 -3.82 2.42 4.77 -0.04 -4.85 117.00 119.33 1kqc n LEU 186 Ca 0.04 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1kqc n LEU 186 Cb 0.45 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1kqc n LEU 186 CO 0.55 0.30 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.93 1kqc s VAL 187 N -2.13 -0.01 -0.16 4.08 1.01 -1.18 -4.79 120.40 117.22 1kqc s VAL 187 Ca -0.09 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1kqc s VAL 187 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 1kqc s VAL 187 CO 0.13 0.02 -0.00 -0.69 0.00 0.00 0.00 175.10 174.56 1kqc s VAL 188 N 0.32 4.21 -0.38 2.92 1.01 -0.55 -0.45 120.40 127.47 1kqc s VAL 188 Ca -0.02 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1kqc s VAL 188 Cb -0.03 -2.87 0.11 0.00 0.00 0.00 0.00 36.38 33.59 1kqc s VAL 188 CO -0.01 0.48 0.15 -0.69 0.00 0.00 0.00 175.10 175.03 1kqc s VAL 189 N 0.36 1.57 0.22 2.92 1.01 0.16 -0.00 120.40 126.64 1kqc s VAL 189 Ca -0.02 -2.21 -0.30 0.00 0.00 0.00 0.00 61.98 59.45 1kqc s VAL 189 Cb -0.14 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 1kqc s VAL 189 CO 0.02 -0.74 1.24 -2.84 0.00 0.00 0.00 175.10 172.78 1kqc s PRO 190 N 0.83 4.45 0.02 2.72 0.02 -1.20 -1.45 135.00 140.39 1kqc s PRO 190 Ca 0.13 1.98 0.06 0.00 0.02 0.00 0.00 61.00 63.19 1kqc s PRO 190 Cb -0.21 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 1kqc s PRO 190 CO -0.10 -0.12 -0.18 0.08 -0.33 0.00 0.00 177.00 176.35 1kqc s VAL 191 N -0.29 1.40 0.00 3.83 1.01 0.28 -2.41 120.40 124.22 1kqc s VAL 191 Ca 0.53 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1kqc s VAL 191 Cb -0.35 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1kqc s VAL 191 CO 0.40 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1kqc n GLY 192 N 2.21 -0.59 2.97 4.51 0.00 -0.04 -1.34 105.19 112.92 1kqc n GLY 192 Ca -0.16 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.13 1.28 0.62 1.61 3.76 -1.26 -0.55 115.29 119.63 1kqc s HIS 193 Ca 0.00 -0.48 -0.18 0.00 -0.15 0.00 0.00 55.06 54.25 1kqc s HIS 193 Cb 0.00 -0.99 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 1kqc s HIS 193 CO 0.00 -0.29 1.23 -3.38 -0.85 0.00 0.00 174.74 171.45 1kqc s HIS 194 N 0.89 2.27 0.55 1.40 -3.43 -1.26 -0.42 115.29 115.28 1kqc s HIS 194 Ca -0.11 1.52 0.04 0.00 -0.80 0.00 0.00 55.06 55.71 1kqc s HIS 194 Cb -0.15 -3.54 0.05 0.00 -1.43 0.00 0.00 32.58 27.52 1kqc s HIS 194 CO 0.01 -2.44 0.76 -1.54 -2.00 0.00 0.00 174.74 169.52 1kqc s SER 195 N -1.60 5.20 0.00 7.38 1.04 0.80 -4.34 113.70 122.18 1kqc s SER 195 Ca 0.78 -0.34 0.13 0.00 0.48 0.00 0.00 55.95 57.00 1kqc s SER 195 Cb -0.32 -0.46 0.63 0.00 0.10 0.00 0.00 66.02 65.97 1kqc s SER 195 CO 0.36 -1.19 1.34 1.33 0.98 0.00 0.00 173.24 176.06 1kqc n VAL 196 N -2.27 0.75 0.93 5.02 0.24 -1.26 -1.99 118.33 119.75 1kqc n VAL 196 Ca 0.11 0.19 0.12 0.00 -2.04 0.00 0.00 64.34 62.71 1kqc n VAL 196 Cb 0.60 -0.97 0.21 0.00 -1.47 0.00 0.00 33.84 32.21 1kqc n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1kqc n GLU 197 N -1.32 2.23 -1.94 7.34 1.02 -1.26 -4.87 120.64 121.83 1kqc n GLU 197 Ca 0.06 -1.81 -0.37 0.00 -0.02 0.00 0.00 57.16 55.01 1kqc n GLU 197 Cb 0.11 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 1kqc n GLU 197 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1kqc s ASP 198 N -1.85 5.08 0.00 1.62 -1.08 -0.84 -4.77 116.67 114.83 1kqc s ASP 198 Ca 0.32 0.43 0.15 0.00 -0.52 0.00 0.00 52.55 52.93 1kqc s ASP 198 Cb 0.21 -2.53 0.79 0.00 -1.46 0.00 0.00 42.92 39.93 1kqc s ASP 198 CO 0.31 -2.52 1.40 2.22 0.52 0.00 0.00 175.17 177.10 1kqc n PHE 199 N 13.52 0.00 0.73 -5.34 -1.74 -1.26 -2.48 117.46 120.89 1kqc n PHE 199 Ca 0.25 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.22 1kqc n PHE 199 Cb 0.52 -0.23 -0.04 0.00 1.52 0.00 0.00 39.48 41.25 1kqc n PHE 199 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1kqc n ASN 200 N -1.23 1.23 0.16 5.98 5.15 -1.26 -4.51 115.26 120.79 1kqc n ASN 200 Ca 0.08 -1.11 0.03 0.00 -0.60 0.00 0.00 54.58 52.97 1kqc n ASN 200 Cb 0.11 0.71 0.40 0.00 -0.53 0.00 0.00 39.78 40.47 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 2.55 1.51 0.00 5.20 0.00 -1.80 -3.20 119.26 123.52 1kqc h ALA 201 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1kqc h ALA 201 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1kqc h ALA 201 CO 0.00 0.36 -1.64 0.25 0.00 0.00 0.00 179.25 178.21 1kqc n THR 202 N -4.23 0.07 -2.16 0.00 -2.24 -1.26 -4.97 114.28 99.49 1kqc n THR 202 Ca -0.02 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.98 1kqc n THR 202 Cb 0.31 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 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 -4.28 4.26 0.61 3.22 1.43 -1.21 -4.99 118.68 117.70 1kqc s LEU 203 Ca -0.03 2.55 -0.17 0.00 -1.03 0.00 0.00 54.13 55.44 1kqc s LEU 203 Cb 0.14 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1kqc s LEU 203 CO 0.88 -0.72 1.13 -2.16 0.23 0.00 0.00 176.35 175.71 1kqc s PRO 204 N -2.15 3.03 0.48 1.29 0.04 -1.26 -5.01 135.00 131.43 1kqc s PRO 204 Ca 0.55 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.93 1kqc s PRO 204 Cb -0.36 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1kqc s PRO 204 CO 0.46 -1.09 1.00 0.15 0.04 0.00 0.00 177.00 177.56 1kqc s LYS 205 N -3.68 3.92 -0.04 4.56 1.02 -1.26 -5.06 119.74 119.20 1kqc s LYS 205 Ca 0.70 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1kqc s LYS 205 Cb -0.23 -2.12 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1kqc s LYS 205 CO 0.35 -0.31 -0.01 0.45 -0.92 0.00 0.00 175.35 174.91 1kqc s SER 206 N -2.26 0.82 0.02 2.83 0.15 -1.26 -5.13 113.70 108.87 1kqc s SER 206 Ca 0.64 -0.06 -0.05 0.00 0.70 0.00 0.00 55.95 57.18 1kqc s SER 206 Cb -0.13 -0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 1kqc s SER 206 CO 0.20 -0.12 0.09 -0.13 1.20 0.00 0.00 173.24 174.49 1kqc s ARG 207 N 1.24 0.51 0.69 5.44 1.81 -1.26 -5.15 118.95 122.24 1kqc s ARG 207 Ca -0.06 -0.61 -0.14 0.00 -1.72 0.00 0.00 55.73 53.19 1kqc s ARG 207 Cb -0.13 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.59 1kqc s ARG 207 CO -0.02 -0.12 1.13 -0.51 -0.68 0.00 0.00 175.30 175.10 1kqc s LEU 208 N -1.77 3.33 0.56 2.53 1.43 -1.26 -4.98 118.68 118.52 1kqc s LEU 208 Ca -0.10 2.08 -0.20 0.00 -1.03 0.00 0.00 54.13 54.88 1kqc s LEU 208 Cb -0.05 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 1kqc s LEU 208 CO -0.02 -1.87 1.23 -2.16 0.23 0.00 0.00 176.35 173.76 1kqc s PRO 209 N -4.13 3.13 0.43 1.29 0.04 -1.26 -4.85 135.00 129.65 1kqc s PRO 209 Ca 0.68 1.89 0.11 0.00 0.04 0.00 0.00 61.00 63.73 1kqc s PRO 209 Cb -0.22 -2.06 0.99 0.00 0.04 0.00 0.00 34.50 33.24 1kqc s PRO 209 CO 0.44 -1.09 2.03 -0.07 0.04 0.00 0.00 177.00 178.34 1kqc h LEU 210 N 1.18 0.38 -2.58 -3.56 3.38 -1.96 -0.16 115.31 111.99 1kqc h LEU 210 Ca -0.50 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.47 1kqc h LEU 210 Cb 1.29 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1kqc h LEU 210 CO 0.56 0.25 0.04 0.77 0.09 0.00 0.00 178.44 180.15 1kqc h SER 211 N 0.43 0.00 0.03 -0.43 4.64 -1.92 0.38 113.55 116.68 1kqc h SER 211 Ca 0.20 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.18 1kqc h SER 211 Cb 0.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 1kqc h SER 211 CO -0.05 0.00 -1.96 0.41 -0.87 0.00 0.00 176.83 174.36 1kqc n THR 212 N -3.59 1.58 0.86 2.95 -1.04 -0.12 -4.58 114.28 110.35 1kqc n THR 212 Ca -0.02 -0.35 0.13 0.00 -2.04 0.00 0.00 64.05 61.77 1kqc n THR 212 Cb 0.12 -1.84 0.36 0.00 -1.82 0.00 0.00 70.33 67.15 1kqc n THR 212 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1kqc n ILE 213 N -3.99 0.15 -4.77 12.58 -5.35 -0.89 -4.88 119.36 112.20 1kqc n ILE 213 Ca -0.40 -0.09 -0.26 0.00 -0.27 0.00 0.00 62.75 61.72 1kqc n ILE 213 Cb 0.87 -0.15 -0.16 0.00 -1.74 0.00 0.00 39.64 38.45 1kqc n ILE 213 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1kqc s VAL 214 N -3.05 1.38 -0.22 7.28 1.01 0.10 -5.07 120.40 121.85 1kqc s VAL 214 Ca 0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1kqc s VAL 214 Cb 0.16 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1kqc s VAL 214 CO 0.64 0.40 -0.09 -0.89 0.00 0.00 0.00 175.10 175.16 1kqc s THR 215 N 0.34 2.87 -0.10 3.92 2.01 -1.26 -4.71 115.64 118.71 1kqc s THR 215 Ca -0.10 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1kqc s THR 215 Cb -0.14 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 1kqc s THR 215 CO 0.04 0.40 0.23 -1.61 -0.69 0.00 0.00 174.62 172.99 1kqc s GLU 216 N 1.39 3.76 0.00 4.92 2.02 -1.26 -5.25 118.70 124.28 1kqc s GLU 216 Ca 0.04 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1kqc s GLU 216 Cb -0.14 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1kqc s GLU 216 CO -0.06 0.63 0.00 0.00 0.02 0.00 0.00 175.26 175.84