#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 1.18 -0.26 5.18 6.09 -2.02 -2.25 117.51 125.43 1kqc h ILE 3 Ca 0.00 -0.90 -0.13 0.00 -1.37 0.00 0.00 64.86 62.46 1kqc h ILE 3 Cb 0.00 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 38.77 1kqc h ILE 3 CO 0.00 0.26 -0.39 0.40 -3.07 0.00 0.00 178.15 175.35 1kqc h ILE 4 N 0.00 1.29 -0.64 2.19 1.08 -2.04 -0.93 117.51 118.47 1kqc h ILE 4 Ca -0.00 -1.55 -0.05 0.00 -0.39 0.00 0.00 64.86 62.87 1kqc h ILE 4 Cb 0.46 1.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 1kqc h ILE 4 CO 0.03 0.49 0.18 0.28 -0.69 0.00 0.00 178.15 178.44 1kqc h SER 5 N 0.50 0.91 -0.18 1.72 0.02 -1.84 -0.20 113.55 114.48 1kqc h SER 5 Ca 0.05 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1kqc h SER 5 Cb 0.89 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1kqc h SER 5 CO 0.08 0.87 0.09 0.58 -1.14 0.00 0.00 176.83 177.31 1kqc h VAL 6 N 0.94 1.12 -0.72 2.27 2.07 -1.01 -0.21 116.25 120.70 1kqc h VAL 6 Ca 0.21 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1kqc h VAL 6 Cb 0.30 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1kqc h VAL 6 CO -0.00 0.11 0.44 0.00 0.02 0.00 0.00 177.57 178.14 1kqc h ALA 7 N 0.97 1.41 0.00 1.67 0.00 -0.68 0.17 119.26 122.80 1kqc h ALA 7 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kqc h ALA 7 Cb 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1kqc h ALA 7 CO -0.01 0.51 0.00 -0.07 0.00 0.00 0.00 179.25 179.68 1kqc h LEU 8 N 0.99 0.00 0.00 0.00 3.38 -0.77 -3.36 115.31 115.55 1kqc h LEU 8 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1kqc h LEU 8 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1kqc h LEU 8 CO -0.05 0.00 -1.70 1.17 0.09 0.00 0.00 178.44 177.95 1kqc n LYS 9 N -2.63 1.42 -1.58 1.13 3.00 -0.12 -4.89 118.16 114.50 1kqc n LYS 9 Ca 0.05 -0.05 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1kqc n LYS 9 Cb 0.47 -1.30 0.08 0.00 0.00 0.00 0.00 35.03 34.28 1kqc n LYS 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1kqc s ARG 10 N -2.51 2.33 0.17 1.64 1.70 0.53 -5.02 118.95 117.77 1kqc s ARG 10 Ca -0.05 1.88 -0.13 0.00 -0.47 0.00 0.00 55.73 56.95 1kqc s ARG 10 Cb 0.05 -1.84 0.01 0.00 -0.57 0.00 0.00 34.95 32.60 1kqc s ARG 10 CO 0.49 -1.72 0.39 -3.38 -1.08 0.00 0.00 175.30 170.00 1kqc s HIS 11 N -1.74 0.08 -0.45 5.89 -3.43 -1.26 -4.99 115.29 109.39 1kqc s HIS 11 Ca 0.78 -0.43 -0.29 0.00 -0.80 0.00 0.00 55.06 54.31 1kqc s HIS 11 Cb -0.32 0.18 0.03 0.00 -1.43 0.00 0.00 32.58 31.03 1kqc s HIS 11 CO 0.42 -0.79 1.12 -1.12 -2.00 0.00 0.00 174.74 172.37 1kqc s SER 12 N -2.90 6.69 0.13 7.38 0.01 -1.26 -4.49 113.70 119.26 1kqc s SER 12 Ca 0.11 0.57 -0.31 0.00 1.31 0.00 0.00 55.95 57.63 1kqc s SER 12 Cb 0.01 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 1kqc s SER 12 CO -0.04 -1.17 1.43 -0.89 0.41 0.00 0.00 173.24 172.98 1kqc s THR 13 N 4.27 3.13 -1.31 1.44 2.01 -0.45 -4.82 115.64 119.91 1kqc s THR 13 Ca 0.47 0.82 0.17 0.00 0.31 0.00 0.00 61.69 63.46 1kqc s THR 13 Cb -0.08 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.84 1kqc s THR 13 CO 0.28 0.07 0.83 0.29 -0.69 0.00 0.00 174.62 175.40 1kqc n LYS 14 N 3.90 1.58 -3.65 4.92 4.76 -1.26 -4.64 118.16 123.77 1kqc n LYS 14 Ca 0.12 -0.55 -0.05 0.00 -2.87 0.00 0.00 58.31 54.95 1kqc n LYS 14 Cb 0.41 -1.30 -0.07 0.00 -1.84 0.00 0.00 35.03 32.24 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 -2.20 -1.77 0.14 7.82 0.00 -1.26 -4.85 121.76 119.63 1kqc s ALA 15 Ca 0.12 2.20 0.04 0.00 0.00 0.00 0.00 51.96 54.31 1kqc s ALA 15 Cb 0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1kqc s ALA 15 CO 0.52 -0.62 0.15 -0.06 0.00 0.00 0.00 175.76 175.75 1kqc s PHE 16 N 2.21 3.23 -0.59 0.00 0.40 -1.26 -1.53 117.98 120.43 1kqc s PHE 16 Ca -0.07 0.04 -0.23 0.00 -0.60 0.00 0.00 56.93 56.06 1kqc s PHE 16 Cb -0.09 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 41.92 1kqc s PHE 16 CO -0.18 0.52 0.92 0.34 0.70 0.00 0.00 175.22 177.53 1kqc s ASP 17 N -2.92 6.26 0.28 1.36 -1.08 -0.06 -4.54 116.67 115.97 1kqc s ASP 17 Ca 0.31 -0.67 0.18 0.00 -0.52 0.00 0.00 52.55 51.85 1kqc s ASP 17 Cb -0.11 -2.42 0.99 0.00 -1.46 0.00 0.00 42.92 39.92 1kqc s ASP 17 CO 0.24 -1.29 1.55 0.00 0.52 0.00 0.00 175.17 176.19 1kqc n ALA 18 N 7.46 1.00 1.03 3.66 0.00 -1.25 -1.84 120.51 130.57 1kqc n ALA 18 Ca -0.01 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1kqc n ALA 18 Cb 0.46 -1.23 0.30 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.14 0.51 -4.50 0.00 3.41 -1.26 -4.81 113.62 104.83 1kqc n SER 19 Ca -0.01 -0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 57.92 1kqc n SER 19 Cb 0.05 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.94 3.27 0.15 4.33 1.02 -0.77 -5.07 119.74 119.74 1kqc s LYS 20 Ca 0.13 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.39 1kqc s LYS 20 Cb 0.18 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1kqc s LYS 20 CO 0.66 -0.61 0.15 0.15 -0.92 0.00 0.00 175.35 174.78 1kqc s LYS 21 N 1.78 2.97 0.54 1.68 -0.14 -1.26 -4.44 119.74 120.87 1kqc s LYS 21 Ca 0.07 -0.82 -0.20 0.00 -1.36 0.00 0.00 55.97 53.66 1kqc s LYS 21 Cb -0.18 -2.69 -0.05 0.00 -1.68 0.00 0.00 37.83 33.23 1kqc s LYS 21 CO 0.11 0.50 1.17 -0.51 -0.76 0.00 0.00 175.35 175.85 1kqc s LEU 22 N -3.06 3.77 0.94 3.17 1.43 -1.26 -5.00 118.68 118.68 1kqc s LEU 22 Ca 0.31 2.29 -0.13 0.00 -1.03 0.00 0.00 54.13 55.58 1kqc s LEU 22 Cb -0.10 -4.52 0.15 0.00 0.03 0.00 0.00 46.19 41.76 1kqc s LEU 22 CO 0.24 -1.30 1.14 0.42 0.23 0.00 0.00 176.35 177.08 1kqc s THR 23 N -1.65 1.98 0.20 5.49 -4.23 -1.26 -4.79 115.64 111.38 1kqc s THR 23 Ca 0.73 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 1kqc s THR 23 Cb -0.27 -2.72 0.14 0.00 1.34 0.00 0.00 72.50 70.99 1kqc s THR 23 CO 0.31 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.26 1kqc h ALA 24 N -1.61 0.92 -0.49 3.99 0.00 -1.99 -1.18 119.26 118.90 1kqc h ALA 24 Ca -0.51 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1kqc h ALA 24 Cb 1.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1kqc h ALA 24 CO 0.59 0.34 0.08 1.49 0.00 0.00 0.00 179.25 181.75 1kqc h GLU 25 N 0.98 0.81 -0.58 0.00 4.81 -2.00 -2.15 114.58 116.46 1kqc h GLU 25 Ca 0.27 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1kqc h GLU 25 Cb -0.11 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1kqc h GLU 25 CO -0.06 0.82 0.15 0.93 -0.73 0.00 0.00 179.01 180.12 1kqc h GLU 26 N 0.69 0.89 -0.63 1.92 5.08 -1.84 0.23 114.58 120.90 1kqc h GLU 26 Ca 0.15 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1kqc h GLU 26 Cb 0.40 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1kqc h GLU 26 CO 0.01 0.79 0.23 0.00 -1.00 0.00 0.00 179.01 179.04 1kqc h ALA 27 N 1.30 1.21 -0.27 3.43 0.00 -0.98 -0.70 119.26 123.26 1kqc h ALA 27 Ca 0.19 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1kqc h ALA 27 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1kqc h ALA 27 CO -0.00 0.57 -0.58 0.93 0.00 0.00 0.00 179.25 180.16 1kqc h GLU 28 N 0.92 0.87 -0.61 0.00 4.39 -0.80 -3.23 114.58 116.12 1kqc h GLU 28 Ca 0.21 -0.57 -0.06 0.00 0.34 0.00 0.00 59.36 59.28 1kqc h GLU 28 Cb 0.22 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1kqc h GLU 28 CO -0.01 1.20 0.13 0.87 -1.16 0.00 0.00 179.01 180.04 1kqc h LYS 29 N 0.66 0.96 0.00 2.33 1.57 -0.38 -2.44 116.57 119.27 1kqc h LYS 29 Ca 0.00 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1kqc h LYS 29 Cb 1.19 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1kqc h LYS 29 CO 0.13 0.87 -0.37 -0.84 -0.57 0.00 0.00 179.45 178.67 1kqc h ILE 30 N 0.92 1.23 -0.27 1.86 3.07 -1.21 -1.86 117.51 121.24 1kqc h ILE 30 Ca 0.19 -1.30 -0.14 0.00 1.55 0.00 0.00 64.86 65.16 1kqc h ILE 30 Cb 0.36 1.71 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 1kqc h ILE 30 CO 0.00 0.37 -0.39 0.11 -1.05 0.00 0.00 178.15 177.19 1kqc h LYS 31 N 0.00 0.64 -0.77 0.16 1.57 -1.49 -2.42 116.57 114.26 1kqc h LYS 31 Ca -0.00 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1kqc h LYS 31 Cb 0.68 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1kqc h LYS 31 CO 0.05 0.93 0.29 1.15 -0.57 0.00 0.00 179.45 181.30 1kqc h THR 32 N 0.53 1.26 -0.56 -0.16 2.02 -0.95 -1.33 112.91 113.72 1kqc h THR 32 Ca 0.05 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1kqc h THR 32 Cb 0.91 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1kqc h THR 32 CO 0.08 0.34 0.34 -0.07 0.37 0.00 0.00 175.52 176.58 1kqc h LEU 33 N 1.12 0.66 -0.13 2.58 3.38 -1.12 -0.11 115.31 121.69 1kqc h LEU 33 Ca 0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1kqc h LEU 33 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1kqc h LEU 33 CO -0.02 0.51 0.07 -0.07 0.09 0.00 0.00 178.44 179.02 1kqc h LEU 34 N 0.75 0.16 -0.71 1.67 3.38 -1.09 -3.14 115.31 116.34 1kqc h LEU 34 Ca 0.20 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1kqc h LEU 34 Cb -0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1kqc h LEU 34 CO -0.04 0.21 0.29 -0.61 0.09 0.00 0.00 178.44 178.38 1kqc h GLN 35 N 0.10 1.05 -0.44 1.13 4.15 -1.00 -3.26 115.11 116.84 1kqc h GLN 35 Ca 0.04 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1kqc h GLN 35 Cb 0.09 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1kqc h GLN 35 CO -0.01 0.86 0.00 0.66 -1.93 0.00 0.00 178.83 178.42 1kqc n TYR 36 N -4.37 0.58 -1.93 3.99 4.02 -0.08 -4.94 117.16 114.43 1kqc n TYR 36 Ca 0.06 -0.29 -0.38 0.00 -0.01 0.00 0.00 57.90 57.27 1kqc n TYR 36 Cb 0.17 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.51 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 -1.00 5.69 0.94 7.72 0.15 -1.19 -4.99 113.70 121.03 1kqc s SER 37 Ca 0.29 2.66 -0.15 0.00 0.70 0.00 0.00 55.95 59.45 1kqc s SER 37 Cb 0.15 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 62.00 1kqc s SER 37 CO 0.20 -1.27 1.24 -2.16 1.20 0.00 0.00 173.24 172.44 1kqc s PRO 38 N -2.72 0.83 -0.07 5.44 0.04 -1.26 -4.99 135.00 132.27 1kqc s PRO 38 Ca 0.66 -0.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 1kqc s PRO 38 Cb -0.38 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.43 1kqc s PRO 38 CO 0.46 -2.32 0.95 -1.54 0.04 0.00 0.00 177.00 174.58 1kqc s SER 39 N -4.60 -0.35 0.09 6.66 1.04 -1.26 -4.76 113.70 110.51 1kqc s SER 39 Ca 0.69 0.15 -0.34 0.00 0.48 0.00 0.00 55.95 56.93 1kqc s SER 39 Cb -0.08 0.34 -0.13 0.00 0.10 0.00 0.00 66.02 66.25 1kqc s SER 39 CO 0.52 -0.50 1.67 -0.24 0.98 0.00 0.00 173.24 175.67 1kqc n SER 40 N 0.11 3.21 -1.20 7.02 2.88 -1.26 -0.65 113.62 123.74 1kqc n SER 40 Ca -0.09 1.05 -0.13 0.00 -1.33 0.00 0.00 58.87 58.37 1kqc n SER 40 Cb 0.60 -1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 62.59 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 3.91 0.00 -3.01 2.46 -2.24 -1.26 -1.12 114.28 113.02 1kqc n THR 41 Ca 0.18 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.74 1kqc n THR 41 Cb 0.29 -1.44 0.03 0.00 -2.10 0.00 0.00 70.33 67.11 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 -0.76 -5.80 0.29 3.42 5.15 0.17 -4.86 115.26 112.88 1kqc n ASN 42 Ca -0.13 -0.27 0.18 0.00 -0.60 0.00 0.00 54.58 53.75 1kqc n ASN 42 Cb 0.52 -4.70 0.85 0.00 -0.53 0.00 0.00 39.78 35.91 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 -1.23 0.00 -6.67 1.20 4.64 -1.30 -3.47 113.55 106.72 1kqc h SER 43 Ca -0.51 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.38 1kqc h SER 43 Cb 1.36 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.34 1kqc h SER 43 CO 0.56 0.02 -0.68 0.00 -0.87 0.00 0.00 176.83 175.86 1kqc n GLN 44 N -3.15 -0.79 -0.87 4.77 6.02 -1.26 -4.71 117.38 117.38 1kqc n GLN 44 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.81 1kqc n GLN 44 Cb 0.23 -2.13 -0.09 0.00 1.02 0.00 0.00 30.24 29.27 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 -3.60 2.04 -4.16 -1.09 -0.04 -1.26 -4.86 135.00 122.02 1kqc n PRO 45 Ca -0.18 -1.15 -0.12 0.00 -0.04 0.00 0.00 63.50 62.00 1kqc n PRO 45 Cb 0.45 -2.15 -0.09 0.00 -0.04 0.00 0.00 33.50 31.67 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 1.92 1.07 -0.05 0.54 -2.14 -1.26 -1.65 118.94 117.36 1kqc s TRP 46 Ca 0.53 -1.28 -0.16 0.00 2.66 0.00 0.00 56.10 57.85 1kqc s TRP 46 Cb 0.21 -0.41 0.03 0.00 -3.10 0.00 0.00 33.47 30.20 1kqc s TRP 46 CO -0.02 -0.75 0.37 -1.58 -2.66 0.00 0.00 176.95 172.31 1kqc s HIS 47 N -4.01 -0.29 -0.02 1.66 2.46 -0.68 -4.91 115.29 109.50 1kqc s HIS 47 Ca 0.36 0.54 0.04 0.00 0.47 0.00 0.00 55.06 56.47 1kqc s HIS 47 Cb 0.05 0.14 -0.01 0.00 -0.13 0.00 0.00 32.58 32.63 1kqc s HIS 47 CO 0.13 -0.37 -0.14 -0.06 -2.47 0.00 0.00 174.74 171.84 1kqc s PHE 48 N -0.94 1.26 -0.22 3.88 0.08 -1.26 -0.87 117.98 119.91 1kqc s PHE 48 Ca -0.10 -0.27 -0.06 0.00 0.12 0.00 0.00 56.93 56.62 1kqc s PHE 48 Cb -0.04 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1kqc s PHE 48 CO 0.04 -0.05 0.03 0.42 -0.10 0.00 0.00 175.22 175.56 1kqc s ILE 49 N -0.19 4.19 -0.39 0.64 1.01 -0.74 -4.94 121.20 120.78 1kqc s ILE 49 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1kqc s ILE 49 Cb -0.07 -2.92 0.10 0.00 0.01 0.00 0.00 42.46 39.59 1kqc s ILE 49 CO -0.00 0.40 0.18 -0.69 0.00 0.00 0.00 174.94 174.82 1kqc s VAL 50 N 1.15 3.20 -0.25 2.92 1.01 -1.26 -0.32 120.40 126.85 1kqc s VAL 50 Ca 0.04 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 59.88 1kqc s VAL 50 Cb -0.14 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1kqc s VAL 50 CO 0.02 -0.63 0.30 0.00 0.00 0.00 0.00 175.10 174.80 1kqc s ALA 51 N 1.14 3.57 0.00 5.51 0.00 0.08 -4.90 121.76 127.16 1kqc s ALA 51 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1kqc s ALA 51 Cb -0.22 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1kqc s ALA 51 CO -0.04 -0.47 0.00 -1.13 0.00 0.00 0.00 175.76 174.11 1kqc n SER 52 N 4.90 0.56 -4.91 0.00 3.41 -1.26 -0.02 113.62 116.31 1kqc n SER 52 Ca -0.11 -0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 57.97 1kqc n SER 52 Cb 0.51 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 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 -0.74 4.72 0.13 6.66 -4.23 -1.26 -4.89 115.64 116.03 1kqc s THR 53 Ca 0.00 0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.49 1kqc s THR 53 Cb 0.00 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 1kqc s THR 53 CO 0.00 -0.79 1.76 -0.33 -0.54 0.00 0.00 174.62 174.72 1kqc h GLU 54 N 0.17 0.43 -0.50 3.99 4.39 -1.97 -0.33 114.58 120.76 1kqc h GLU 54 Ca -0.47 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 1kqc h GLU 54 Cb 1.21 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1kqc h GLU 54 CO 0.61 0.33 0.12 0.93 -1.16 0.00 0.00 179.01 179.84 1kqc h GLU 55 N 0.40 0.80 -0.30 2.33 5.08 -1.98 0.02 114.58 120.93 1kqc h GLU 55 Ca 0.11 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1kqc h GLU 55 Cb 0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1kqc h GLU 55 CO -0.02 0.77 0.14 0.78 -1.00 0.00 0.00 179.01 179.68 1kqc h GLY 56 N 0.69 0.39 1.34 -3.84 0.00 -1.88 0.62 103.07 100.39 1kqc h GLY 56 Ca 0.16 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1kqc h GLY 56 CO 0.00 0.07 -0.20 0.50 0.00 0.00 0.00 176.54 176.92 1kqc h LYS 57 N 0.29 0.76 -0.39 4.80 1.57 -0.92 -2.48 116.57 120.20 1kqc h LYS 57 Ca 0.13 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1kqc h LYS 57 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1kqc h LYS 57 CO -0.10 0.90 0.04 0.00 -0.57 0.00 0.00 179.45 179.72 1kqc h ALA 58 N 1.11 1.34 -0.59 3.86 0.00 -0.48 0.76 119.26 125.27 1kqc h ALA 58 Ca 0.10 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1kqc h ALA 58 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1kqc h ALA 58 CO 0.05 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 1kqc h ARG 59 N 0.58 1.07 -0.39 0.00 3.08 -0.54 -2.46 114.38 115.73 1kqc h ARG 59 Ca 0.13 -0.36 -0.11 0.00 0.07 0.00 0.00 59.98 59.70 1kqc h ARG 59 Cb 0.31 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1kqc h ARG 59 CO 0.01 1.06 -0.20 0.28 -1.07 0.00 0.00 179.97 180.05 1kqc h VAL 60 N 0.96 1.28 0.00 2.04 2.07 -1.00 -2.88 116.25 118.72 1kqc h VAL 60 Ca 0.16 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1kqc h VAL 60 Cb 0.61 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1kqc h VAL 60 CO 0.04 0.44 0.04 0.00 0.02 0.00 0.00 177.57 178.12 1kqc h ALA 61 N 0.80 1.04 -0.05 1.67 0.00 -0.59 -1.03 119.26 121.11 1kqc h ALA 61 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1kqc h ALA 61 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1kqc h ALA 61 CO 0.06 -0.04 0.04 0.87 0.00 0.00 0.00 179.25 180.18 1kqc h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.22 -0.22 116.57 116.70 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 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1kqc h SER 63 N 0.00 0.00 -0.85 0.86 4.64 -1.37 -3.29 113.55 113.53 1kqc h SER 63 Ca 0.02 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.75 1kqc h SER 63 Cb 0.10 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.08 1kqc h SER 63 CO -0.00 0.00 1.66 0.00 -0.87 0.00 0.00 176.83 177.62 1kqc n ALA 64 N -1.81 6.76 -2.01 5.18 0.00 -0.09 -0.76 120.51 127.77 1kqc n ALA 64 Ca 0.03 -3.44 -0.20 0.00 0.00 0.00 0.00 53.44 49.83 1kqc n ALA 64 Cb 0.29 -2.60 0.05 0.00 0.00 0.00 0.00 19.45 17.19 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 -0.68 4.32 0.00 0.00 0.00 -1.24 -3.25 121.76 120.91 1kqc s ALA 65 Ca 0.59 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1kqc s ALA 65 Cb 0.26 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1kqc s ALA 65 CO -0.12 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1kqc n GLY 66 N -2.27 3.09 0.16 0.00 0.00 -1.26 -1.21 105.19 103.70 1kqc n GLY 66 Ca 0.12 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1kqc n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1kqc h THR 67 N 0.00 0.00 0.00 2.61 1.35 -2.00 -2.74 112.91 112.13 1kqc h THR 67 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1kqc h THR 67 Cb 0.00 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1kqc h THR 67 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 1kqc n TYR 68 N -2.41 0.00 0.32 4.73 4.01 -0.35 -3.75 117.16 119.70 1kqc n TYR 68 Ca 0.01 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.94 1kqc n TYR 68 Cb 0.22 0.00 1.06 0.00 -0.31 0.00 0.00 39.34 40.31 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 0.00 0.26 0.00 -0.72 3.04 -1.46 -0.82 116.25 116.54 1kqc h VAL 69 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1kqc h VAL 69 Cb 0.00 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 1kqc h VAL 69 CO 0.00 0.01 0.00 2.22 -1.01 0.00 0.00 177.57 178.79 1kqc n PHE 70 N -3.45 0.00 0.64 3.17 1.16 -1.25 -1.42 117.46 116.31 1kqc n PHE 70 Ca -0.03 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.62 1kqc n PHE 70 Cb 0.09 -0.50 0.02 0.00 -1.61 0.00 0.00 39.48 37.48 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 -1.50 1.74 0.01 5.98 3.02 -0.31 -4.68 115.26 119.51 1kqc n ASN 71 Ca 0.02 -1.37 -0.11 0.00 -0.03 0.00 0.00 54.58 53.09 1kqc n ASN 71 Cb 0.09 0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.02 0.11 -0.61 3.52 4.81 -1.33 -3.03 114.58 120.07 1kqc h GLU 72 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1kqc h GLU 72 Cb 0.53 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1kqc h GLU 72 CO 0.00 0.07 0.38 0.00 -0.73 0.00 0.00 179.01 178.73 1kqc h ARG 73 N 0.11 0.81 -0.86 1.92 2.47 -1.84 -1.65 114.38 115.34 1kqc h ARG 73 Ca 0.03 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1kqc h ARG 73 Cb -0.01 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.09 1kqc h ARG 73 CO -0.01 0.55 0.55 0.87 0.56 0.00 0.00 179.97 182.49 1kqc h LYS 74 N 0.83 1.16 -0.17 0.04 1.57 -1.84 0.23 116.57 118.38 1kqc h LYS 74 Ca 0.22 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 1kqc h LYS 74 Cb -0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 1kqc h LYS 74 CO -0.04 0.79 -0.56 0.52 -0.57 0.00 0.00 179.45 179.58 1kqc h MET 75 N 1.18 0.52 0.05 3.15 2.86 -1.35 -2.72 114.93 118.63 1kqc h MET 75 Ca 0.31 -0.34 -0.24 0.00 -2.06 0.00 0.00 59.70 57.38 1kqc h MET 75 Cb -0.09 0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.63 1kqc h MET 75 CO -0.06 0.94 -0.96 -0.07 1.06 0.00 0.00 176.91 177.82 1kqc h LEU 76 N 0.40 0.76 0.00 1.22 3.38 -0.84 -3.37 115.31 116.86 1kqc h LEU 76 Ca 0.00 -0.79 -0.10 0.00 0.09 0.00 0.00 57.88 57.08 1kqc h LEU 76 Cb 1.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1kqc h LEU 76 CO 0.10 1.46 -0.63 0.44 0.09 0.00 0.00 178.44 179.91 1kqc h ASP 77 N 0.14 0.00 -4.17 -0.43 3.32 -0.64 -3.47 116.42 111.17 1kqc h ASP 77 Ca -0.14 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.41 1kqc h ASP 77 Cb 1.66 0.00 0.18 0.00 0.22 0.00 0.00 39.33 41.39 1kqc h ASP 77 CO 0.19 0.45 0.22 0.00 -1.72 0.00 0.00 179.24 178.38 1kqc s ALA 78 N -2.99 1.43 -0.07 3.45 0.00 -1.03 -3.81 121.76 118.74 1kqc s ALA 78 Ca 0.03 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.22 1kqc s ALA 78 Cb 0.08 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.66 1kqc s ALA 78 CO 0.75 -2.66 0.74 1.03 0.00 0.00 0.00 175.76 175.63 1kqc h SER 79 N -1.79 -0.14 -3.90 0.00 0.87 -1.47 -3.46 113.55 103.66 1kqc h SER 79 Ca -0.45 -0.39 -0.55 0.00 -1.23 0.00 0.00 61.79 59.16 1kqc h SER 79 Cb 1.27 0.04 -0.31 0.00 -0.44 0.00 0.00 62.40 62.95 1kqc h SER 79 CO 0.45 0.46 -0.83 -1.00 -0.53 0.00 0.00 176.83 175.38 1kqc s HIS 80 N -3.02 1.67 -0.22 2.24 3.76 -0.85 -4.45 115.29 114.42 1kqc s HIS 80 Ca -0.12 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1kqc s HIS 80 Cb -0.00 -1.12 0.03 0.00 1.11 0.00 0.00 32.58 32.59 1kqc s HIS 80 CO 0.44 -0.16 -0.13 0.08 -0.85 0.00 0.00 174.74 174.12 1kqc s VAL 81 N 0.04 2.44 -0.23 -0.90 1.01 0.98 0.19 120.40 123.93 1kqc s VAL 81 Ca -0.04 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 1kqc s VAL 81 Cb -0.11 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1kqc s VAL 81 CO 0.02 0.31 0.17 -0.69 0.00 0.00 0.00 175.10 174.91 1kqc s VAL 82 N 1.28 5.36 -0.33 2.92 1.01 -0.64 -0.74 120.40 129.25 1kqc s VAL 82 Ca 0.01 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 1kqc s VAL 82 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1kqc s VAL 82 CO -0.08 0.35 0.18 -0.69 0.00 0.00 0.00 175.10 174.86 1kqc s VAL 83 N 0.98 4.67 -0.20 2.92 1.01 0.56 0.37 120.40 130.72 1kqc s VAL 83 Ca 0.08 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1kqc s VAL 83 Cb -0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1kqc s VAL 83 CO 0.04 -0.03 0.89 -0.36 0.00 0.00 0.00 175.10 175.64 1kqc s PHE 84 N 1.61 3.37 0.09 5.22 0.40 0.86 -1.79 117.98 127.74 1kqc s PHE 84 Ca 0.04 1.29 0.09 0.00 -0.60 0.00 0.00 56.93 57.75 1kqc s PHE 84 Cb -0.18 -3.10 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 1kqc s PHE 84 CO 0.07 -0.35 -0.24 0.00 0.70 0.00 0.00 175.22 175.41 1kqc s ALA 86 N -0.98 3.09 0.60 0.00 0.00 -0.68 -1.69 121.76 122.09 1kqc s ALA 86 Ca 0.10 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.53 1kqc s ALA 86 Cb -0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1kqc s ALA 86 CO 0.04 0.52 1.11 0.15 0.00 0.00 0.00 175.76 177.58 1kqc s LYS 87 N -2.73 3.11 0.16 0.00 1.02 -0.66 -1.56 119.74 119.07 1kqc s LYS 87 Ca 0.25 1.45 0.23 0.00 0.02 0.00 0.00 55.97 57.92 1kqc s LYS 87 Cb -0.10 -1.99 0.12 0.00 -0.52 0.00 0.00 37.83 35.34 1kqc s LYS 87 CO 0.17 -1.01 1.13 0.25 -0.92 0.00 0.00 175.35 174.96 1kqc n THR 88 N -1.89 0.48 -3.65 2.17 -2.24 -0.53 -4.82 114.28 103.78 1kqc n THR 88 Ca 0.11 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 1kqc n THR 88 Cb 0.52 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.28 -1.55 -0.44 6.98 0.00 -1.26 -4.61 121.76 117.61 1kqc s ALA 89 Ca 0.02 1.70 -0.23 0.00 0.00 0.00 0.00 51.96 53.46 1kqc s ALA 89 Cb 0.11 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1kqc s ALA 89 CO 0.77 -0.30 0.75 1.41 0.00 0.00 0.00 175.76 178.39 1kqc s MET 90 N 0.19 3.40 0.15 0.00 1.75 -1.26 -5.04 119.30 118.48 1kqc s MET 90 Ca -0.01 -0.14 -0.01 0.00 -1.25 0.00 0.00 55.69 54.29 1kqc s MET 90 Cb -0.04 -3.93 -0.04 0.00 2.84 0.00 0.00 34.83 33.65 1kqc s MET 90 CO 0.02 -1.07 0.32 0.16 -0.65 0.00 0.00 175.02 173.80 1kqc s ASP 91 N 2.09 6.39 0.33 1.11 -4.77 -1.26 -5.00 116.67 115.56 1kqc s ASP 91 Ca 0.28 0.36 0.03 0.00 -3.30 0.00 0.00 52.55 49.93 1kqc s ASP 91 Cb -0.13 -2.00 0.63 0.00 -1.09 0.00 0.00 42.92 40.34 1kqc s ASP 91 CO 0.21 0.04 1.94 0.44 0.70 0.00 0.00 175.17 178.51 1kqc h ASP 92 N 2.45 0.79 -0.64 2.11 3.32 -1.99 -1.96 116.42 120.49 1kqc h ASP 92 Ca -0.47 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.68 1kqc h ASP 92 Cb 1.18 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.48 1kqc h ASP 92 CO 0.71 0.52 0.24 0.00 -1.72 0.00 0.00 179.24 178.99 1kqc h ALA 93 N 1.56 0.84 -0.53 3.45 0.00 -1.99 0.10 119.26 122.69 1kqc h ALA 93 Ca 0.34 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1kqc h ALA 93 Cb 0.18 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1kqc h ALA 93 CO -0.11 -0.19 -0.08 2.35 0.00 0.00 0.00 179.25 181.22 1kqc h TRP 94 N 0.42 1.09 -0.80 0.00 2.91 -1.77 -0.82 115.95 116.98 1kqc h TRP 94 Ca 0.33 -0.22 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 1kqc h TRP 94 Cb 0.42 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.76 1kqc h TRP 94 CO -0.17 1.02 0.36 -0.07 -1.03 0.00 0.00 178.44 178.55 1kqc h LEU 95 N 0.85 1.06 -0.75 0.65 3.38 -0.91 -1.35 115.31 118.25 1kqc h LEU 95 Ca 0.14 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1kqc h LEU 95 Cb 0.64 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1kqc h LEU 95 CO 0.04 0.92 -0.34 -0.33 0.09 0.00 0.00 178.44 178.81 1kqc h GLU 96 N 1.14 0.56 -0.40 1.13 4.39 -0.69 -2.84 114.58 117.87 1kqc h GLU 96 Ca 0.27 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.75 1kqc h GLU 96 Cb 0.15 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1kqc h GLU 96 CO -0.03 0.83 0.17 0.00 -1.16 0.00 0.00 179.01 178.82 1kqc h ARG 97 N 0.48 0.35 -0.08 2.33 2.47 -0.35 0.23 114.38 119.80 1kqc h ARG 97 Ca 0.05 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1kqc h ARG 97 Cb 0.82 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1kqc h ARG 97 CO 0.07 0.23 0.05 0.28 0.56 0.00 0.00 179.97 181.16 1kqc h VAL 98 N 0.36 1.05 -0.15 2.04 2.07 -1.06 -1.02 116.25 119.55 1kqc h VAL 98 Ca 0.18 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1kqc h VAL 98 Cb 0.12 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1kqc h VAL 98 CO -0.15 0.05 -0.38 1.62 0.02 0.00 0.00 177.57 178.72 1kqc h VAL 99 N 0.07 1.30 -0.01 2.57 3.04 -1.32 -1.47 116.25 120.44 1kqc h VAL 99 Ca 0.03 -1.47 -0.12 0.00 -1.01 0.00 0.00 66.70 64.13 1kqc h VAL 99 Cb 0.03 1.61 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 1kqc h VAL 99 CO -0.01 0.45 -0.57 0.44 -1.01 0.00 0.00 177.57 176.87 1kqc h ASP 100 N 0.27 0.04 -0.11 3.17 3.32 -0.77 -0.58 116.42 121.76 1kqc h ASP 100 Ca 0.03 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1kqc h ASP 100 Cb 0.79 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.34 1kqc h ASP 100 CO 0.06 0.60 -0.45 -0.61 -1.72 0.00 0.00 179.24 177.13 1kqc h GLN 101 N 0.03 0.51 -0.80 3.56 5.75 -0.91 -0.42 115.11 122.83 1kqc h GLN 101 Ca -0.01 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 58.09 1kqc h GLN 101 Cb 1.02 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.61 1kqc h GLN 101 CO 0.08 1.02 0.44 0.93 -2.65 0.00 0.00 178.83 178.65 1kqc h GLU 102 N 0.10 1.10 -0.02 1.69 5.08 -1.09 0.26 114.58 121.71 1kqc h GLU 102 Ca -0.02 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1kqc h GLU 102 Cb 1.08 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1kqc h GLU 102 CO 0.09 0.80 0.01 1.49 -1.00 0.00 0.00 179.01 180.40 1kqc h GLU 103 N 1.11 0.03 -0.52 2.33 4.81 -1.04 -1.36 114.58 119.95 1kqc h GLU 103 Ca 0.28 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.59 1kqc h GLU 103 Cb 0.01 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1kqc h GLU 103 CO -0.05 0.24 0.35 0.00 -0.73 0.00 0.00 179.01 178.83 1kqc h ALA 104 N 0.79 2.03 -0.08 2.92 0.00 -0.34 0.54 119.26 125.11 1kqc h ALA 104 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kqc h ALA 104 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kqc h ALA 104 CO -0.00 -0.14 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 1kqc n ASP 105 N -4.47 0.62 -1.12 0.00 8.00 0.85 -4.92 116.55 115.52 1kqc n ASP 105 Ca 0.08 -1.69 -0.08 0.00 0.71 0.00 0.00 54.79 53.80 1kqc n ASP 105 Cb 0.34 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 0.84 0.11 0.00 0.44 0.00 0.18 -4.94 105.19 101.82 1kqc n GLY 106 Ca 0.11 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.90 0.01 -3.92 1.61 1.74 -0.56 -4.76 116.66 108.89 1kqc n ARG 107 Ca -0.07 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.65 1kqc n ARG 107 Cb 0.56 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.36 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 -2.99 3.13 -0.07 -1.55 0.08 -1.26 -4.97 117.98 110.34 1kqc s PHE 108 Ca 0.12 -1.56 0.16 0.00 0.12 0.00 0.00 56.93 55.77 1kqc s PHE 108 Cb 0.18 -2.10 0.19 0.00 -0.57 0.00 0.00 43.02 40.72 1kqc s PHE 108 CO 0.63 -0.73 1.50 -0.91 -0.10 0.00 0.00 175.22 175.61 1kqc h ASN 109 N 8.04 0.00 -5.22 1.36 4.21 -1.96 -3.46 115.58 118.54 1kqc h ASN 109 Ca -0.29 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.08 1kqc h ASN 109 Cb 1.10 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.15 1kqc h ASN 109 CO 0.57 0.50 -0.68 0.42 -1.29 0.00 0.00 177.43 176.95 1kqc s THR 110 N -3.08 0.23 0.39 2.81 -4.23 -1.26 -5.04 115.64 105.47 1kqc s THR 110 Ca 0.03 -1.84 0.08 0.00 -1.18 0.00 0.00 61.69 58.78 1kqc s THR 110 Cb 0.08 -1.62 0.21 0.00 1.34 0.00 0.00 72.50 72.51 1kqc s THR 110 CO 0.73 -0.90 1.98 -0.65 -0.54 0.00 0.00 174.62 175.25 1kqc h PRO 111 N 3.09 0.40 -0.16 3.99 0.11 -2.01 -1.36 132.00 136.06 1kqc h PRO 111 Ca -0.34 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 1kqc h PRO 111 Cb 1.15 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1kqc h PRO 111 CO 0.65 0.38 -0.16 0.93 -0.21 0.00 0.00 178.00 179.59 1kqc h GLU 112 N 0.40 0.27 -0.58 1.05 3.07 -1.99 -0.79 114.58 116.01 1kqc h GLU 112 Ca 0.10 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.78 1kqc h GLU 112 Cb 0.17 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1kqc h GLU 112 CO -0.00 0.44 -0.05 0.00 -1.40 0.00 0.00 179.01 177.99 1kqc h ALA 113 N 1.58 0.79 -0.25 3.43 0.00 -1.66 -1.29 119.26 121.86 1kqc h ALA 113 Ca 0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1kqc h ALA 113 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1kqc h ALA 113 CO 0.03 0.67 -0.12 -0.22 0.00 0.00 0.00 179.25 179.61 1kqc h LYS 114 N 0.95 0.53 -0.66 0.00 3.64 -1.21 -2.69 116.57 117.14 1kqc h LYS 114 Ca 0.16 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1kqc h LYS 114 Cb 0.62 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 1kqc h LYS 114 CO 0.04 0.78 0.42 0.00 -2.27 0.00 0.00 179.45 178.42 1kqc h ALA 115 N 0.73 0.85 -0.60 5.00 0.00 -1.05 -0.17 119.26 124.03 1kqc h ALA 115 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1kqc h ALA 115 Cb 0.62 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1kqc h ALA 115 CO 0.04 0.19 0.25 0.00 0.00 0.00 0.00 179.25 179.73 1kqc h ALA 116 N 1.27 1.32 -0.35 0.00 0.00 -1.20 0.11 119.26 120.41 1kqc h ALA 116 Ca 0.26 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1kqc h ALA 116 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1kqc h ALA 116 CO -0.09 0.51 -0.40 -0.97 0.00 0.00 0.00 179.25 178.30 1kqc h ASN 117 N 0.85 0.97 -0.38 0.00 -0.73 -1.03 -1.54 115.58 113.71 1kqc h ASN 117 Ca 0.20 -0.48 -0.05 0.00 1.87 0.00 0.00 56.30 57.84 1kqc h ASN 117 Cb 0.14 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1kqc h ASN 117 CO -0.02 1.25 0.03 -0.74 -0.37 0.00 0.00 177.43 177.58 1kqc h HIS 118 N 0.70 0.70 -0.60 0.67 2.76 -0.63 -1.82 115.15 116.94 1kqc h HIS 118 Ca 0.05 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1kqc h HIS 118 Cb 1.00 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.74 1kqc h HIS 118 CO 0.07 0.72 0.39 -0.22 -1.30 0.00 0.00 177.93 177.59 1kqc h LYS 119 N 0.48 0.77 -0.37 5.26 3.64 -0.73 -0.60 116.57 125.03 1kqc h LYS 119 Ca 0.11 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1kqc h LYS 119 Cb 0.42 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1kqc h LYS 119 CO 0.01 0.51 0.14 0.78 -2.27 0.00 0.00 179.45 178.63 1kqc h GLY 120 N 0.79 0.60 0.94 5.01 0.00 -1.14 -1.60 103.07 107.67 1kqc h GLY 120 Ca 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1kqc h GLY 120 CO -0.06 0.31 0.16 -0.09 0.00 0.00 0.00 176.54 176.86 1kqc h ARG 121 N 0.45 0.60 -0.80 4.80 2.43 -1.08 -2.61 114.38 118.17 1kqc h ARG 121 Ca 0.12 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1kqc h ARG 121 Cb 0.20 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 1kqc h ARG 121 CO -0.01 0.56 0.48 1.15 -1.51 0.00 0.00 179.97 180.65 1kqc h THR 122 N 0.50 1.01 -0.06 0.20 2.02 -1.00 0.13 112.91 115.70 1kqc h THR 122 Ca 0.13 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1kqc h THR 122 Cb 0.19 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 1kqc h THR 122 CO -0.01 0.16 -0.14 0.22 0.37 0.00 0.00 175.52 176.12 1kqc h TYR 123 N 0.88 -0.36 -0.35 3.16 5.03 -0.92 0.11 116.97 124.51 1kqc h TYR 123 Ca 0.36 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.56 1kqc h TYR 123 Cb 0.20 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 1kqc h TYR 123 CO -0.05 -0.21 -0.25 0.74 -1.32 0.00 0.00 178.16 177.08 1kqc h PHE 124 N -0.20 0.92 0.04 -3.82 0.04 -1.17 -1.58 116.94 111.17 1kqc h PHE 124 Ca 0.07 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1kqc h PHE 124 Cb 0.30 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1kqc h PHE 124 CO -0.23 1.01 -0.04 0.00 -0.60 0.00 0.00 178.31 178.45 1kqc h ALA 125 N 0.76 -0.08 -0.33 2.45 0.00 -0.55 -2.61 119.26 118.91 1kqc h ALA 125 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1kqc h ALA 125 Cb 0.81 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1kqc h ALA 125 CO 0.07 -0.55 -0.14 -0.44 0.00 0.00 0.00 179.25 178.19 1kqc h ASP 126 N -0.10 0.57 -0.75 0.00 3.32 -0.81 0.13 116.42 118.79 1kqc h ASP 126 Ca 0.01 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 56.95 1kqc h ASP 126 Cb 0.10 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 1kqc h ASP 126 CO -0.02 0.74 0.49 -0.03 -1.72 0.00 0.00 179.24 178.70 1kqc h MET 127 N 0.53 0.78 0.12 3.56 4.05 -1.01 0.28 114.93 123.24 1kqc h MET 127 Ca 0.09 -0.05 -0.31 0.00 -0.28 0.00 0.00 59.70 59.16 1kqc h MET 127 Cb 0.55 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1kqc h MET 127 CO 0.03 0.52 -1.61 0.45 0.23 0.00 0.00 176.91 176.53 1kqc h HIS 128 N 0.81 0.45 -0.05 1.39 3.86 -1.10 0.32 115.15 120.83 1kqc h HIS 128 Ca 0.32 -0.33 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 1kqc h HIS 128 Cb 0.22 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1kqc h HIS 128 CO -0.00 1.63 -0.54 0.00 0.86 0.00 0.00 177.93 179.88 1kqc h ARG 129 N -0.21 0.14 0.00 2.45 3.08 -0.59 0.18 114.38 119.42 1kqc h ARG 129 Ca -0.35 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 1kqc h ARG 129 Cb 1.84 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 1kqc h ARG 129 CO 0.06 0.64 -0.50 0.28 -1.07 0.00 0.00 179.97 179.38 1kqc n VAL 130 N -3.91 1.23 -0.01 2.04 0.31 0.96 -4.30 118.33 114.64 1kqc n VAL 130 Ca -0.02 0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 64.46 1kqc n VAL 130 Cb 0.56 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 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 -0.34 0.13 0.00 4.52 3.32 -1.38 -3.31 116.42 119.36 1kqc h ASP 131 Ca -0.03 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1kqc h ASP 131 Cb 0.46 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1kqc h ASP 131 CO -0.02 0.18 -1.44 0.18 -1.72 0.00 0.00 179.24 176.42 1kqc n LEU 132 N -4.96 0.41 -3.91 1.55 4.77 0.09 -5.00 117.00 109.94 1kqc n LEU 132 Ca -0.05 -0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.44 1kqc n LEU 132 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1kqc n LEU 132 CO 0.34 0.10 -0.11 0.29 -1.33 0.00 0.00 177.39 176.68 1kqc n LYS 133 N -1.85 -4.10 -1.16 3.23 4.76 0.15 -4.88 118.16 114.31 1kqc n LYS 133 Ca -0.00 0.49 0.04 0.00 -2.87 0.00 0.00 58.31 55.96 1kqc n LYS 133 Cb 0.41 -4.94 0.04 0.00 -1.84 0.00 0.00 35.03 28.70 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 -2.94 0.89 0.27 4.39 5.75 0.38 -4.87 116.55 120.43 1kqc n ASP 134 Ca -0.20 -2.21 0.11 0.00 -0.01 0.00 0.00 54.79 52.48 1kqc n ASP 134 Cb 0.63 -0.30 0.74 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 0.76 0.00 -0.40 -1.12 2.03 -1.87 -0.72 116.42 115.09 1kqc h ASP 135 Ca -0.15 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.13 1kqc h ASP 135 Cb 1.69 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.17 1kqc h ASP 135 CO 0.07 0.01 0.20 -2.24 -1.03 0.00 0.00 179.24 176.24 1kqc h ASP 136 N 0.00 0.52 -0.40 4.15 -0.00 -1.89 -0.41 116.42 118.39 1kqc h ASP 136 Ca -0.00 -0.12 -0.12 0.00 -0.00 0.00 0.00 57.03 56.79 1kqc h ASP 136 Cb 0.02 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.20 1kqc h ASP 136 CO 0.00 0.50 -0.23 1.56 -0.00 0.00 0.00 179.24 181.07 1kqc h GLN 137 N 0.51 0.86 -0.28 4.15 1.08 -1.64 -2.31 115.11 117.48 1kqc h GLN 137 Ca 0.14 -0.39 0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1kqc h GLN 137 Cb 0.11 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1kqc h GLN 137 CO -0.02 1.03 0.12 2.35 -0.95 0.00 0.00 178.83 181.36 1kqc h TRP 138 N 0.67 0.21 -0.61 2.96 7.01 -0.96 -1.26 115.95 123.98 1kqc h TRP 138 Ca 0.08 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.01 1kqc h TRP 138 Cb 0.79 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.77 1kqc h TRP 138 CO 0.06 0.11 0.04 0.52 -2.79 0.00 0.00 178.44 176.37 1kqc h MET 139 N 0.26 1.05 -0.47 2.65 2.86 -1.07 -2.51 114.93 117.70 1kqc h MET 139 Ca 0.12 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1kqc h MET 139 Cb 0.07 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1kqc h MET 139 CO -0.10 1.01 0.23 0.00 1.06 0.00 0.00 176.91 179.10 1kqc h ALA 140 N 1.00 1.52 -0.48 6.32 0.00 -1.12 -0.94 119.26 125.56 1kqc h ALA 140 Ca 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1kqc h ALA 140 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1kqc h ALA 140 CO 0.02 0.39 0.00 0.87 0.00 0.00 0.00 179.25 180.54 1kqc h LYS 141 N 0.66 0.79 -0.27 0.00 1.57 -0.82 -0.84 116.57 117.65 1kqc h LYS 141 Ca 0.17 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1kqc h LYS 141 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1kqc h LYS 141 CO -0.02 0.79 -0.17 1.96 -0.57 0.00 0.00 179.45 181.44 1kqc h GLN 142 N 0.74 0.48 -0.39 3.15 1.08 -0.82 -1.63 115.11 117.72 1kqc h GLN 142 Ca 0.14 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1kqc h GLN 142 Cb 0.44 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1kqc h GLN 142 CO 0.02 0.63 -0.14 0.28 -0.95 0.00 0.00 178.83 178.67 1kqc h VAL 143 N 0.44 1.28 -0.57 -0.54 2.07 -0.52 -1.71 116.25 116.69 1kqc h VAL 143 Ca 0.08 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1kqc h VAL 143 Cb 0.55 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1kqc h VAL 143 CO 0.04 0.42 0.19 1.88 0.02 0.00 0.00 177.57 180.11 1kqc h TYR 144 N 0.58 0.86 -0.90 1.57 -1.99 -0.87 -0.26 116.97 115.95 1kqc h TYR 144 Ca 0.09 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1kqc h TYR 144 Cb 0.68 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 39.11 1kqc h TYR 144 CO 0.05 0.69 0.49 1.25 -0.00 0.00 0.00 178.16 180.65 1kqc h LEU 145 N 0.83 1.13 -0.61 3.88 6.46 -1.05 -0.54 115.31 125.41 1kqc h LEU 145 Ca 0.19 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1kqc h LEU 145 Cb 0.22 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1kqc h LEU 145 CO -0.01 0.91 0.38 -1.13 -0.62 0.00 0.00 178.44 177.97 1kqc h ASN 146 N 1.27 0.72 -0.52 1.25 -0.73 -0.29 -1.47 115.58 115.81 1kqc h ASN 146 Ca 0.32 -0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.47 1kqc h ASN 146 Cb 0.03 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.40 1kqc h ASN 146 CO -0.05 0.56 0.30 0.58 -0.37 0.00 0.00 177.43 178.45 1kqc h VAL 147 N 0.83 1.03 -0.65 2.57 2.07 -0.10 0.10 116.25 122.10 1kqc h VAL 147 Ca 0.22 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1kqc h VAL 147 Cb -0.04 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1kqc h VAL 147 CO -0.04 0.11 0.40 1.23 0.02 0.00 0.00 177.57 179.29 1kqc h GLY 148 N 0.60 0.93 1.00 2.17 0.00 -0.58 0.35 103.07 107.54 1kqc h GLY 148 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1kqc h GLY 148 CO -0.11 0.26 0.08 -0.57 0.00 0.00 0.00 176.54 176.20 1kqc h ASN 149 N 0.79 0.14 -0.08 0.19 -1.24 -0.71 -2.99 115.58 111.68 1kqc h ASN 149 Ca 0.26 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.27 1kqc h ASN 149 Cb 0.01 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1kqc h ASN 149 CO -0.10 0.11 0.02 0.15 -1.29 0.00 0.00 177.43 176.31 1kqc h PHE 150 N 0.16 0.03 -0.67 0.67 3.57 -0.22 -1.07 116.94 119.42 1kqc h PHE 150 Ca 0.05 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1kqc h PHE 150 Cb -0.02 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1kqc h PHE 150 CO -0.07 0.01 0.39 -0.07 -2.23 0.00 0.00 178.31 176.34 1kqc h LEU 151 N 0.05 0.61 -0.51 0.59 3.38 -0.91 0.71 115.31 119.22 1kqc h LEU 151 Ca 0.04 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1kqc h LEU 151 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1kqc h LEU 151 CO -0.05 0.41 -0.53 0.25 0.09 0.00 0.00 178.44 178.61 1kqc h LEU 152 N 0.74 0.65 0.00 1.67 5.85 -1.44 -2.19 115.31 120.59 1kqc h LEU 152 Ca 0.28 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1kqc h LEU 152 Cb 0.11 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1kqc h LEU 152 CO -0.15 1.06 -0.00 1.23 -0.34 0.00 0.00 178.44 180.24 1kqc h GLY 153 N 1.02 -0.00 1.77 3.75 0.00 -0.43 0.11 103.07 109.30 1kqc h GLY 153 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1kqc h GLY 153 CO 0.10 -0.00 -0.14 -0.39 0.00 0.00 0.00 176.54 176.11 1kqc h VAL 154 N -0.17 1.19 -0.55 4.60 -1.51 -0.93 -1.52 116.25 117.36 1kqc h VAL 154 Ca -0.00 -0.86 -0.04 0.00 -1.23 0.00 0.00 66.70 64.56 1kqc h VAL 154 Cb 0.17 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 1kqc h VAL 154 CO 0.00 0.27 0.17 1.23 -1.23 0.00 0.00 177.57 178.01 1kqc h GLY 155 N 0.80 0.92 2.00 5.19 0.00 -1.01 -0.27 103.07 110.70 1kqc h GLY 155 Ca 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1kqc h GLY 155 CO 0.02 0.51 -0.11 0.00 0.00 0.00 0.00 176.54 176.96 1kqc h ALA 156 N 1.04 1.14 -0.00 3.60 0.00 -0.03 -1.56 119.26 123.45 1kqc h ALA 156 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kqc h ALA 156 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1kqc h ALA 156 CO -0.01 0.14 -0.06 -1.33 0.00 0.00 0.00 179.25 178.00 1kqc n MET 157 N -3.43 0.15 -0.57 0.00 2.81 -0.64 -4.89 117.12 110.56 1kqc n MET 157 Ca -0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1kqc n MET 157 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.43 0.70 3.91 3.03 0.00 -0.59 -5.06 105.19 108.62 1kqc n GLY 158 Ca 0.09 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 4.31 0.21 0.99 1.43 -0.19 -5.02 118.68 120.41 1kqc s LEU 159 Ca 0.00 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1kqc s LEU 159 Cb 0.00 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1kqc s LEU 159 CO 0.00 0.10 0.37 -1.81 0.23 0.00 0.00 176.35 175.24 1kqc s ASP 160 N -2.48 6.34 0.23 2.29 1.01 0.11 -3.90 116.67 120.27 1kqc s ASP 160 Ca 0.38 0.25 -0.22 0.00 0.71 0.00 0.00 52.55 53.68 1kqc s ASP 160 Cb -0.12 -1.95 0.06 0.00 1.01 0.00 0.00 42.92 41.92 1kqc s ASP 160 CO 0.26 -0.05 0.92 0.00 0.21 0.00 0.00 175.17 176.51 1kqc s ALA 161 N -1.91 -1.39 -0.20 5.23 0.00 -1.26 -0.44 121.76 121.79 1kqc s ALA 161 Ca 0.36 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 1kqc s ALA 161 Cb -0.10 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.81 1kqc s ALA 161 CO 0.30 -1.04 0.46 0.54 0.00 0.00 0.00 175.76 176.02 1kqc s VAL 162 N -2.82 -0.34 0.18 0.00 0.11 -1.04 -1.34 120.40 115.15 1kqc s VAL 162 Ca 0.16 0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 1kqc s VAL 162 Cb -0.03 -0.70 -0.08 0.00 -1.53 0.00 0.00 36.38 34.05 1kqc s VAL 162 CO 0.06 0.05 0.96 -2.16 -3.33 0.00 0.00 175.10 170.67 1kqc s PRO 163 N 2.02 4.78 -0.10 1.54 0.04 -1.26 -3.27 135.00 138.73 1kqc s PRO 163 Ca -0.06 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1kqc s PRO 163 Cb -0.10 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.14 1kqc s PRO 163 CO -0.14 0.36 -0.09 0.42 0.04 0.00 0.00 177.00 177.59 1kqc s ILE 164 N -0.63 1.10 -0.51 0.56 1.01 0.73 -4.92 121.20 118.55 1kqc s ILE 164 Ca 0.44 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.83 1kqc s ILE 164 Cb -0.25 -1.07 -0.12 0.00 0.01 0.00 0.00 42.46 41.03 1kqc s ILE 164 CO 0.31 0.37 0.46 -0.62 0.00 0.00 0.00 174.94 175.46 1kqc n GLU 165 N 4.63 3.43 -1.72 2.79 1.02 -1.26 -1.72 120.64 127.81 1kqc n GLU 165 Ca -0.16 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.57 1kqc n GLU 165 Cb 0.50 -1.01 -0.01 0.00 -0.02 0.00 0.00 31.44 30.91 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 1.26 4.50 3.29 0.62 0.00 -1.26 -4.85 105.19 108.74 1kqc n GLY 166 Ca 0.02 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 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 2.03 -0.12 -0.55 1.61 -0.71 -1.26 -4.79 117.98 114.20 1kqc s PHE 167 Ca 0.53 -0.21 -0.21 0.00 -1.04 0.00 0.00 56.93 56.00 1kqc s PHE 167 Cb 0.15 0.17 0.06 0.00 -1.21 0.00 0.00 43.02 42.19 1kqc s PHE 167 CO -0.07 -0.65 0.79 0.34 -1.34 0.00 0.00 175.22 174.30 1kqc s ASP 168 N -2.75 6.25 0.28 1.98 -1.08 0.06 -4.91 116.67 116.51 1kqc s ASP 168 Ca 0.03 -0.78 0.01 0.00 -0.52 0.00 0.00 52.55 51.29 1kqc s ASP 168 Cb 0.02 -2.36 0.41 0.00 -1.46 0.00 0.00 42.92 39.54 1kqc s ASP 168 CO -0.11 -1.11 1.77 0.00 0.52 0.00 0.00 175.17 176.25 1kqc h ALA 169 N 9.21 1.16 -0.34 3.66 0.00 -1.88 -1.07 119.26 129.99 1kqc h ALA 169 Ca -0.27 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.39 1kqc h ALA 169 Cb 1.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1kqc h ALA 169 CO 1.05 0.54 0.16 0.00 0.00 0.00 0.00 179.25 181.00 1kqc h ALA 170 N 1.32 0.42 -0.19 0.00 0.00 -1.93 0.62 119.26 119.50 1kqc h ALA 170 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1kqc h ALA 170 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1kqc h ALA 170 CO 0.03 -0.22 0.08 0.82 0.00 0.00 0.00 179.25 179.96 1kqc h ILE 171 N 0.34 1.15 -0.75 0.00 2.04 -1.87 -1.70 117.51 116.72 1kqc h ILE 171 Ca 0.15 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1kqc h ILE 171 Cb 0.07 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1kqc h ILE 171 CO -0.11 0.14 0.33 0.25 0.00 0.00 0.00 178.15 178.76 1kqc h LEU 172 N 0.17 1.00 -0.44 1.44 5.85 -0.76 -0.97 115.31 121.60 1kqc h LEU 172 Ca 0.06 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1kqc h LEU 172 Cb 0.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1kqc h LEU 172 CO -0.01 0.88 0.25 0.44 -0.34 0.00 0.00 178.44 179.66 1kqc h ASP 173 N 1.06 0.54 -0.55 1.25 3.32 0.41 -2.46 116.42 119.99 1kqc h ASP 173 Ca 0.25 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1kqc h ASP 173 Cb 0.16 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1kqc h ASP 173 CO -0.03 0.46 0.07 -0.08 -1.72 0.00 0.00 179.24 177.93 1kqc h GLU 174 N 0.57 0.92 -0.86 3.56 4.81 -1.08 -0.30 114.58 122.21 1kqc h GLU 174 Ca 0.16 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1kqc h GLU 174 Cb 0.03 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1kqc h GLU 174 CO -0.03 0.91 0.56 1.49 -0.73 0.00 0.00 179.01 181.21 1kqc h GLU 175 N 0.81 0.89 -0.38 1.92 4.57 -0.94 -2.43 114.58 119.02 1kqc h GLU 175 Ca 0.16 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1kqc h GLU 175 Cb 0.45 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1kqc h GLU 175 CO 0.02 0.59 0.00 1.19 -1.18 0.00 0.00 179.01 179.63 1kqc n PHE 176 N -4.50 0.85 -4.08 0.92 3.72 -0.95 -4.98 117.46 108.44 1kqc n PHE 176 Ca 0.13 -0.66 -0.31 0.00 -0.05 0.00 0.00 57.45 56.56 1kqc n PHE 176 Cb 0.24 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.27 -0.37 0.17 1.37 0.00 -0.25 -4.89 105.19 101.49 1kqc n GLY 177 Ca 0.18 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.70 0.57 -0.58 0.99 3.38 -1.47 -3.21 115.31 113.27 1kqc h LEU 178 Ca -0.60 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.01 1kqc h LEU 178 Cb 1.38 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 1kqc h LEU 178 CO 0.71 0.92 -0.17 0.50 0.09 0.00 0.00 178.44 180.49 1kqc h LYS 179 N 0.22 -0.03 0.00 1.13 3.11 -1.73 0.23 116.57 119.51 1kqc h LYS 179 Ca 0.04 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1kqc h LYS 179 Cb 0.76 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.99 1kqc h LYS 179 CO 0.05 -0.02 -0.15 0.93 -2.81 0.00 0.00 179.45 177.45 1kqc h GLU 180 N -0.03 0.00 -0.00 1.90 3.07 -1.88 -1.62 114.58 116.02 1kqc h GLU 180 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1kqc h GLU 180 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1kqc h GLU 180 CO -0.62 0.15 -0.15 1.63 -1.40 0.00 0.00 179.01 178.63 1kqc n LYS 181 N -4.14 0.55 -0.88 2.33 5.02 0.68 -4.93 118.16 116.80 1kqc n LYS 181 Ca -0.02 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1kqc n LYS 181 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.33 0.83 3.29 0.72 0.00 -0.37 -5.04 105.19 105.94 1kqc n GLY 182 Ca 0.13 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 1.40 -0.11 1.61 0.08 -0.69 -1.46 117.98 116.81 1kqc s PHE 183 Ca 0.00 -0.97 -0.08 0.00 0.12 0.00 0.00 56.93 56.00 1kqc s PHE 183 Cb 0.00 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.68 1kqc s PHE 183 CO 0.00 -0.12 0.27 -0.08 -0.10 0.00 0.00 175.22 175.19 1kqc s THR 184 N -3.53 -0.01 0.28 0.64 -1.32 -0.60 -2.96 115.64 108.14 1kqc s THR 184 Ca 0.27 0.05 -0.29 0.00 -1.21 0.00 0.00 61.69 60.50 1kqc s THR 184 Cb 0.06 -0.39 -0.10 0.00 -1.51 0.00 0.00 72.50 70.56 1kqc s THR 184 CO 0.07 0.02 1.10 -0.94 -2.21 0.00 0.00 174.62 172.66 1kqc s SER 185 N 0.53 7.24 0.00 8.08 1.04 -1.26 -1.69 113.70 127.64 1kqc s SER 185 Ca -0.03 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1kqc s SER 185 Cb -0.05 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1kqc s SER 185 CO -0.03 -0.16 0.00 0.18 0.98 0.00 0.00 173.24 174.21 1kqc n LEU 186 N 1.14 1.07 -3.92 2.42 4.77 -0.14 -4.85 117.00 117.49 1kqc n LEU 186 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 1kqc n LEU 186 Cb 0.45 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 1kqc n LEU 186 CO 0.54 0.13 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.66 1kqc s VAL 187 N -1.93 0.22 -0.12 4.08 1.01 -1.18 -4.78 120.40 117.70 1kqc s VAL 187 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1kqc s VAL 187 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1kqc s VAL 187 CO 0.00 0.07 -0.11 -0.69 0.00 0.00 0.00 175.10 174.37 1kqc s VAL 188 N -0.05 3.27 -0.36 2.92 1.01 -0.70 -0.10 120.40 126.40 1kqc s VAL 188 Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1kqc s VAL 188 Cb -0.01 -2.38 0.11 0.00 0.00 0.00 0.00 36.38 34.10 1kqc s VAL 188 CO -0.00 0.53 0.13 -0.69 0.00 0.00 0.00 175.10 175.07 1kqc s VAL 189 N 0.17 1.30 0.32 2.92 1.01 0.16 -0.19 120.40 126.10 1kqc s VAL 189 Ca -0.06 -1.93 -0.28 0.00 0.00 0.00 0.00 61.98 59.71 1kqc s VAL 189 Cb -0.15 -1.96 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 1kqc s VAL 189 CO 0.04 -0.73 1.17 -2.84 0.00 0.00 0.00 175.10 172.75 1kqc s PRO 190 N 1.10 4.43 -0.01 2.72 0.02 -1.20 -1.63 135.00 140.42 1kqc s PRO 190 Ca 0.12 1.92 0.03 0.00 0.02 0.00 0.00 61.00 63.10 1kqc s PRO 190 Cb -0.20 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 1kqc s PRO 190 CO -0.14 -0.02 -0.10 0.08 -0.33 0.00 0.00 177.00 176.48 1kqc s VAL 191 N -1.22 0.82 0.00 3.83 1.01 0.13 -2.50 120.40 122.47 1kqc s VAL 191 Ca 0.49 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1kqc s VAL 191 Cb -0.34 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1kqc s VAL 191 CO 0.44 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1kqc n GLY 192 N 2.89 -0.64 2.96 4.51 0.00 0.41 -1.47 105.19 113.85 1kqc n GLY 192 Ca -0.14 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.03 1.01 0.51 1.61 3.76 -1.26 0.05 115.29 119.94 1kqc s HIS 193 Ca 0.00 -0.31 -0.20 0.00 -0.15 0.00 0.00 55.06 54.39 1kqc s HIS 193 Cb 0.00 -0.79 -0.07 0.00 1.11 0.00 0.00 32.58 32.82 1kqc s HIS 193 CO 0.00 -0.19 1.08 -3.38 -0.85 0.00 0.00 174.74 171.39 1kqc s HIS 194 N 0.65 2.87 0.46 1.40 -0.00 -1.26 -0.88 115.29 118.53 1kqc s HIS 194 Ca -0.11 1.56 0.01 0.00 -0.00 0.00 0.00 55.06 56.53 1kqc s HIS 194 Cb -0.14 -3.16 0.00 0.00 -0.00 0.00 0.00 32.58 29.29 1kqc s HIS 194 CO 0.01 -1.13 0.67 -1.54 -0.00 0.00 0.00 174.74 172.76 1kqc s SER 195 N -1.88 5.74 0.31 7.38 1.04 -0.58 -4.48 113.70 121.23 1kqc s SER 195 Ca 0.69 0.19 0.23 0.00 0.48 0.00 0.00 55.95 57.55 1kqc s SER 195 Cb -0.20 -1.39 1.12 0.00 0.10 0.00 0.00 66.02 65.66 1kqc s SER 195 CO 0.23 -0.76 1.70 0.52 0.98 0.00 0.00 173.24 175.91 1kqc n VAL 196 N -2.09 0.92 1.41 5.02 0.31 -1.26 -1.26 118.33 121.37 1kqc n VAL 196 Ca 0.03 0.52 0.05 0.00 -0.01 0.00 0.00 64.34 64.93 1kqc n VAL 196 Cb 0.58 -1.49 0.20 0.00 -0.91 0.00 0.00 33.84 32.21 1kqc n VAL 196 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kqc n GLU 197 N -2.29 1.46 -2.72 5.55 -0.58 -1.26 -4.69 120.64 116.10 1kqc n GLU 197 Ca 0.00 -0.70 -0.42 0.00 -0.42 0.00 0.00 57.16 55.62 1kqc n GLU 197 Cb 0.12 -1.22 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 1kqc n GLU 197 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1kqc s ASP 198 N -1.17 6.33 0.57 1.62 2.15 -0.39 -4.78 116.67 120.99 1kqc s ASP 198 Ca 0.19 -1.15 0.25 0.00 0.43 0.00 0.00 52.55 52.27 1kqc s ASP 198 Cb 0.10 -2.49 1.61 0.00 -0.30 0.00 0.00 42.92 41.84 1kqc s ASP 198 CO 0.14 -1.49 2.17 2.19 -0.17 0.00 0.00 175.17 178.01 1kqc h PHE 199 N 9.60 0.00 0.00 -5.34 -0.00 -1.89 -1.71 116.94 117.61 1kqc h PHE 199 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.87 1kqc h PHE 199 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.99 1kqc h PHE 199 CO 1.12 0.00 0.00 -1.71 -0.00 0.00 0.00 178.31 177.72 1kqc n ASN 200 N -4.06 0.08 0.22 -0.68 5.15 -1.26 -3.37 115.26 111.34 1kqc n ASN 200 Ca -0.01 0.51 0.08 0.00 -0.60 0.00 0.00 54.58 54.56 1kqc n ASN 200 Cb 0.18 -0.53 0.52 0.00 -0.53 0.00 0.00 39.78 39.42 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 2.88 1.20 -0.01 5.20 0.00 -1.62 -3.24 119.26 123.68 1kqc h ALA 201 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1kqc h ALA 201 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kqc h ALA 201 CO 0.00 0.31 -0.20 0.25 0.00 0.00 0.00 179.25 179.60 1kqc n THR 202 N -3.68 0.00 -2.60 0.00 -2.24 -1.22 -4.99 114.28 99.55 1kqc n THR 202 Ca -0.01 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.98 1kqc n THR 202 Cb 0.36 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.61 4.48 0.55 3.22 1.43 -1.22 -5.00 118.68 120.54 1kqc s LEU 203 Ca 0.08 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 55.07 1kqc s LEU 203 Cb 0.08 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1kqc s LEU 203 CO 0.25 -0.11 1.19 -2.16 0.23 0.00 0.00 176.35 175.75 1kqc s PRO 204 N -1.62 3.23 0.56 1.29 0.04 -1.26 -4.98 135.00 132.26 1kqc s PRO 204 Ca 0.46 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 1kqc s PRO 204 Cb -0.27 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1kqc s PRO 204 CO 0.34 -0.98 1.07 0.15 0.04 0.00 0.00 177.00 177.61 1kqc s LYS 205 N -3.18 3.41 -0.04 4.56 1.02 -1.26 -5.05 119.74 119.20 1kqc s LYS 205 Ca 0.73 1.33 0.00 0.00 0.02 0.00 0.00 55.97 58.05 1kqc s LYS 205 Cb -0.29 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1kqc s LYS 205 CO 0.32 -0.75 -0.02 0.45 -0.92 0.00 0.00 175.35 174.43 1kqc s SER 206 N -2.39 0.83 0.01 2.83 0.15 -1.26 -5.14 113.70 108.73 1kqc s SER 206 Ca 0.66 -0.08 -0.07 0.00 0.70 0.00 0.00 55.95 57.16 1kqc s SER 206 Cb -0.18 -0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1kqc s SER 206 CO 0.31 -0.09 0.13 -0.13 1.20 0.00 0.00 173.24 174.65 1kqc s ARG 207 N 1.11 0.50 0.69 5.44 1.81 -1.26 -5.15 118.95 122.09 1kqc s ARG 207 Ca -0.08 -0.46 -0.15 0.00 -1.72 0.00 0.00 55.73 53.31 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 -0.01 -0.12 1.17 -0.51 -0.68 0.00 0.00 175.30 175.14 1kqc s LEU 208 N -1.51 3.37 0.66 2.53 1.43 -1.26 -4.96 118.68 118.94 1kqc s LEU 208 Ca -0.13 2.21 -0.17 0.00 -1.03 0.00 0.00 54.13 55.01 1kqc s LEU 208 Cb -0.07 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.58 1kqc s LEU 208 CO 0.01 -1.96 1.24 -2.16 0.23 0.00 0.00 176.35 173.70 1kqc s PRO 209 N -3.93 2.54 0.32 1.29 0.04 -1.26 -4.85 135.00 129.14 1kqc s PRO 209 Ca 0.72 1.89 -0.00 0.00 0.04 0.00 0.00 61.00 63.65 1kqc s PRO 209 Cb -0.26 -1.87 0.52 0.00 0.04 0.00 0.00 34.50 32.94 1kqc s PRO 209 CO 0.43 -1.56 1.98 -0.07 0.04 0.00 0.00 177.00 177.81 1kqc h LEU 210 N 0.36 0.84 -2.27 -3.56 3.38 -1.96 -1.35 115.31 110.76 1kqc h LEU 210 Ca -0.50 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.47 1kqc h LEU 210 Cb 1.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1kqc h LEU 210 CO 0.53 0.63 0.24 0.77 0.09 0.00 0.00 178.44 180.69 1kqc h SER 211 N 0.99 0.00 0.03 -0.43 4.64 -1.91 0.62 113.55 117.48 1kqc h SER 211 Ca 0.26 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.21 1kqc h SER 211 Cb -0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.95 1kqc h SER 211 CO -0.05 0.00 -2.14 0.41 -0.87 0.00 0.00 176.83 174.17 1kqc n THR 212 N -3.26 1.58 0.86 2.95 -1.04 -0.54 -4.60 114.28 110.24 1kqc n THR 212 Ca -0.00 -0.44 0.12 0.00 -2.04 0.00 0.00 64.05 61.69 1kqc n THR 212 Cb 0.33 -1.74 0.24 0.00 -1.82 0.00 0.00 70.33 67.34 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 -3.79 0.11 -5.18 12.58 -5.35 -0.99 -4.90 119.36 111.83 1kqc n ILE 213 Ca -0.42 -0.09 -0.30 0.00 -0.27 0.00 0.00 62.75 61.68 1kqc n ILE 213 Cb 0.92 0.10 -0.16 0.00 -1.74 0.00 0.00 39.64 38.76 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 1.88 -0.16 7.28 1.01 0.17 -5.07 120.40 122.46 1kqc s VAL 214 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1kqc s VAL 214 Cb 0.16 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1kqc s VAL 214 CO 0.70 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 175.30 1kqc s THR 215 N -0.44 1.61 -0.14 3.92 2.01 -1.26 -4.72 115.64 116.63 1kqc s THR 215 Ca 0.06 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.29 1kqc s THR 215 Cb -0.10 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1kqc s THR 215 CO 0.00 0.44 0.14 -1.61 -0.69 0.00 0.00 174.62 172.90 1kqc s GLU 216 N 1.47 3.59 0.00 4.92 2.02 -1.26 -5.25 118.70 124.18 1kqc s GLU 216 Ca 0.04 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1kqc s GLU 216 Cb -0.13 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1kqc s GLU 216 CO -0.11 0.68 0.00 0.00 0.02 0.00 0.00 175.26 175.86