#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqz s GLY 2 N 0.00 1.77 -0.16 -0.02 0.00 -0.92 -4.89 107.32 103.09 1kqz s GLY 2 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.86 1kqz s GLY 2 CO 0.00 -1.56 -0.01 -0.42 0.00 0.00 0.00 173.10 171.11 1kqz s ILE 3 N -3.78 4.18 -0.14 0.90 1.01 -1.26 -1.78 121.20 120.33 1kqz s ILE 3 Ca 0.37 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 1kqz s ILE 3 Cb 0.07 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1kqz s ILE 3 CO 0.14 0.49 0.07 0.00 0.00 0.00 0.00 174.94 175.64 1kqz s ALA 4 N 0.31 3.50 0.03 9.38 0.00 0.30 -0.72 121.76 134.56 1kqz s ALA 4 Ca -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1kqz s ALA 4 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 1kqz s ALA 4 CO 0.02 0.42 -0.16 -1.50 0.00 0.00 0.00 175.76 174.54 1kqz s ILE 5 N -0.38 1.27 -0.19 0.00 1.10 -0.46 -1.06 121.20 121.49 1kqz s ILE 5 Ca 0.09 -0.95 -0.13 0.00 -0.51 0.00 0.00 60.65 59.15 1kqz s ILE 5 Cb -0.12 -1.12 -0.05 0.00 0.15 0.00 0.00 42.46 41.33 1kqz s ILE 5 CO 0.02 0.15 0.24 -0.31 -2.11 0.00 0.00 174.94 172.92 1kqz s TYR 6 N -0.70 3.42 0.05 3.50 1.51 -1.16 -0.95 117.35 123.01 1kqz s TYR 6 Ca 0.04 0.47 0.06 0.00 -1.01 0.00 0.00 57.07 56.63 1kqz s TYR 6 Cb -0.08 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1kqz s TYR 6 CO 0.01 0.20 -0.17 -0.46 -1.11 0.00 0.00 175.55 174.02 1kqz s TRP 7 N 0.62 1.46 0.00 2.71 -0.00 -0.10 -1.74 118.94 121.89 1kqz s TRP 7 Ca 0.13 -0.37 0.00 0.00 -0.00 0.00 0.00 56.10 55.86 1kqz s TRP 7 Cb -0.13 -0.86 0.00 0.00 -0.00 0.00 0.00 33.47 32.48 1kqz s TRP 7 CO 0.03 0.07 0.00 0.41 -0.00 0.00 0.00 176.95 177.46 1kqz n GLY 8 N 1.76 1.62 1.64 5.86 0.00 -1.26 -1.09 105.19 113.71 1kqz n GLY 8 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1kqz n GLY 8 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kqz n GLN 9 N 0.00 3.92 -3.31 1.61 1.13 -1.26 -2.97 117.38 116.50 1kqz n GLN 9 Ca 0.00 -2.85 0.01 0.00 -1.94 0.00 0.00 57.00 52.22 1kqz n GLN 9 Cb 0.00 -1.97 -0.03 0.00 0.11 0.00 0.00 30.24 28.36 1kqz n GLN 9 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1kqz s ASN 10 N -0.85 -1.17 0.02 1.08 3.84 -1.26 -4.81 114.94 111.79 1kqz s ASN 10 Ca 0.51 1.02 0.03 0.00 0.21 0.00 0.00 52.86 54.63 1kqz s ASN 10 Cb 0.34 2.10 0.15 0.00 -0.55 0.00 0.00 41.25 43.29 1kqz s ASN 10 CO 0.22 -0.25 1.10 0.61 -2.79 0.00 0.00 177.10 175.99 1kqz n GLY 11 N 5.43 -0.58 0.97 1.21 0.00 -1.26 -1.87 105.19 109.09 1kqz n GLY 11 Ca -0.04 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1kqz n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kqz n ASN 12 N -1.56 2.92 -0.33 1.61 3.02 -1.26 -4.28 115.26 115.38 1kqz n ASN 12 Ca 0.00 -1.92 0.14 0.00 -0.03 0.00 0.00 54.58 52.78 1kqz n ASN 12 Cb 0.02 -0.19 0.64 0.00 -0.61 0.00 0.00 39.78 39.64 1kqz n ASN 12 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1kqz n GLU 13 N 1.16 1.45 0.00 3.52 0.28 -0.78 -5.02 120.64 121.24 1kqz n GLU 13 Ca 0.18 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.52 1kqz n GLU 13 Cb 0.53 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1kqz n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kqz n GLY 14 N 1.11 0.89 3.74 -1.84 0.00 -1.26 -4.76 105.19 103.06 1kqz n GLY 14 Ca 0.20 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1kqz n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kqz s THR 15 N -2.67 2.73 0.33 2.61 -4.23 -1.26 -4.84 115.64 108.31 1kqz s THR 15 Ca 0.00 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1kqz s THR 15 Cb 0.00 -2.80 0.14 0.00 1.34 0.00 0.00 72.50 71.18 1kqz s THR 15 CO 0.00 -0.31 1.85 0.25 -0.54 0.00 0.00 174.62 175.87 1kqz h LEU 16 N -1.43 0.46 -0.42 4.79 5.85 -1.94 -1.46 115.31 121.15 1kqz h LEU 16 Ca -0.49 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 1kqz h LEU 16 Cb 1.28 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1kqz h LEU 16 CO 0.56 0.58 0.15 0.74 -0.34 0.00 0.00 178.44 180.13 1kqz h THR 17 N 0.46 1.21 -0.41 1.05 2.02 -1.91 -1.94 112.91 113.38 1kqz h THR 17 Ca 0.09 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1kqz h THR 17 Cb 0.40 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1kqz h THR 17 CO 0.02 0.24 0.18 1.56 0.37 0.00 0.00 175.52 177.89 1kqz h GLN 18 N 0.54 0.60 -0.56 6.66 4.20 -1.83 -2.04 115.11 122.68 1kqz h GLN 18 Ca 0.14 -0.10 0.09 0.00 0.06 0.00 0.00 58.65 58.84 1kqz h GLN 18 Cb 0.22 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 1kqz h GLN 18 CO -0.01 0.54 0.17 1.15 -0.67 0.00 0.00 178.83 180.01 1kqz h THR 19 N 0.52 0.75 0.00 -0.54 2.02 -1.04 -2.46 112.91 112.16 1kqz h THR 19 Ca 0.14 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 67.09 1kqz h THR 19 Cb 0.15 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1kqz h THR 19 CO -0.02 0.06 -0.56 0.00 0.37 0.00 0.00 175.52 175.38 1kqz n SER 21 N -3.41 0.00 0.24 0.00 3.41 -0.78 -2.77 113.62 110.31 1kqz n SER 21 Ca 0.01 -0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.61 1kqz n SER 21 Cb 0.68 -0.26 0.55 0.00 -0.26 0.00 0.00 64.21 64.93 1kqz n SER 21 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1kqz h THR 22 N 0.00 0.53 -0.50 6.66 1.35 -1.50 -3.46 112.91 115.99 1kqz h THR 22 Ca 0.00 -0.93 -0.21 0.00 -0.55 0.00 0.00 66.41 64.72 1kqz h THR 22 Cb 0.20 1.63 -0.08 0.00 -1.73 0.00 0.00 68.15 68.17 1kqz h THR 22 CO 0.00 0.18 -0.19 0.54 -0.25 0.00 0.00 175.52 175.80 1kqz n ARG 23 N -3.44 -0.82 -0.01 4.72 1.74 -1.11 -4.88 116.66 112.85 1kqz n ARG 23 Ca -0.00 0.85 0.09 0.00 -0.77 0.00 0.00 57.85 58.01 1kqz n ARG 23 Cb 0.37 -4.81 -0.14 0.00 -1.02 0.00 0.00 32.46 26.85 1kqz n ARG 23 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kqz n LYS 24 N -2.51 0.57 -4.41 5.56 5.02 -1.26 -4.99 118.16 116.13 1kqz n LYS 24 Ca -0.10 -0.17 -0.33 0.00 -2.02 0.00 0.00 58.31 55.69 1kqz n LYS 24 Cb 0.36 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1kqz n LYS 24 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1kqz s TYR 25 N -3.27 3.01 -0.03 2.13 2.02 -1.26 -4.37 117.35 115.57 1kqz s TYR 25 Ca -0.07 0.05 0.16 0.00 -0.37 0.00 0.00 57.07 56.84 1kqz s TYR 25 Cb 0.12 -1.68 -0.25 0.00 -0.40 0.00 0.00 41.96 39.75 1kqz s TYR 25 CO 0.77 0.41 0.33 0.43 -1.57 0.00 0.00 175.55 175.92 1kqz n SER 26 N 1.71 1.28 -3.89 2.29 7.64 0.10 -4.92 113.62 117.84 1kqz n SER 26 Ca -0.16 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.61 1kqz n SER 26 Cb 0.53 1.68 -0.13 0.00 -1.01 0.00 0.00 64.21 65.28 1kqz n SER 26 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1kqz s TYR 27 N -3.07 0.03 -0.07 1.43 1.51 -1.14 -2.83 117.35 113.20 1kqz s TYR 27 Ca -0.06 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1kqz s TYR 27 Cb 0.10 -0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.93 1kqz s TYR 27 CO 0.67 -0.09 -0.08 0.08 -1.11 0.00 0.00 175.55 175.02 1kqz s VAL 28 N -0.45 0.89 -0.22 0.71 1.01 -0.48 -1.36 120.40 120.51 1kqz s VAL 28 Ca -0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1kqz s VAL 28 Cb -0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1kqz s VAL 28 CO -0.00 0.32 0.04 0.20 0.00 0.00 0.00 175.10 175.65 1kqz s ASN 29 N 1.10 5.07 -0.32 3.32 0.01 -0.12 -1.16 114.94 122.83 1kqz s ASN 29 Ca -0.07 -0.16 -0.23 0.00 -0.71 0.00 0.00 52.86 51.69 1kqz s ASN 29 Cb -0.14 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.63 1kqz s ASN 29 CO -0.01 0.05 0.75 -0.63 -1.51 0.00 0.00 177.10 175.75 1kqz s ILE 30 N 1.13 4.81 -0.14 0.60 1.01 0.46 -0.93 121.20 128.14 1kqz s ILE 30 Ca 0.03 1.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.69 1kqz s ILE 30 Cb -0.14 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 1kqz s ILE 30 CO 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 174.94 174.63 1kqz s ALA 31 N 2.91 2.91 0.08 9.38 0.00 -0.25 -0.49 121.76 136.31 1kqz s ALA 31 Ca 0.30 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 1kqz s ALA 31 Cb -0.14 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1kqz s ALA 31 CO 0.13 0.26 0.15 -0.06 0.00 0.00 0.00 175.76 176.25 1kqz s PHE 32 N 0.23 0.21 -0.85 0.00 0.08 -0.56 -4.01 117.98 113.07 1kqz s PHE 32 Ca -0.04 -0.65 -0.14 0.00 0.12 0.00 0.00 56.93 56.23 1kqz s PHE 32 Cb -0.14 -0.11 0.22 0.00 -0.57 0.00 0.00 43.02 42.42 1kqz s PHE 32 CO 0.03 -0.51 0.80 -1.17 -0.10 0.00 0.00 175.22 174.28 1kqz s LEU 33 N -2.82 6.69 0.00 -0.37 2.96 -0.21 -0.77 118.68 124.17 1kqz s LEU 33 Ca 0.05 -2.75 0.24 0.00 -0.22 0.00 0.00 54.13 51.44 1kqz s LEU 33 Cb 0.05 -2.22 0.57 0.00 0.50 0.00 0.00 46.19 45.10 1kqz s LEU 33 CO -0.10 -0.56 1.47 -0.46 -1.32 0.00 0.00 176.35 175.38 1kqz n ASN 34 N 3.94 2.49 -3.77 3.68 6.94 -1.20 -1.96 115.26 125.38 1kqz n ASN 34 Ca 0.15 -1.83 -0.23 0.00 -0.02 0.00 0.00 54.58 52.65 1kqz n ASN 34 Cb 0.46 -0.10 -0.17 0.00 -2.36 0.00 0.00 39.78 37.61 1kqz n ASN 34 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1kqz s LYS 35 N -1.79 0.61 -0.15 -3.83 2.20 -1.19 -3.03 119.74 112.56 1kqz s LYS 35 Ca 0.34 0.06 -0.34 0.00 -0.36 0.00 0.00 55.97 55.67 1kqz s LYS 35 Cb 0.20 -1.08 0.14 0.00 -1.51 0.00 0.00 37.83 35.59 1kqz s LYS 35 CO 0.30 -0.34 1.30 -0.59 -0.36 0.00 0.00 175.35 175.66 1kqz s PHE 36 N 1.97 -0.06 0.00 4.03 -0.12 -1.26 -1.37 117.98 121.16 1kqz s PHE 36 Ca 0.04 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 1kqz s PHE 36 Cb -0.13 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1kqz s PHE 36 CO -0.06 -0.16 0.00 0.41 -0.05 0.00 0.00 175.22 175.37 1kqz n GLY 37 N -0.24 -0.53 3.63 1.99 0.00 -1.25 -2.09 105.19 106.70 1kqz n GLY 37 Ca -0.02 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 1kqz n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kqz n ASN 38 N -1.12 -5.15 0.00 1.61 5.15 -1.26 -2.09 115.26 112.39 1kqz n ASN 38 Ca 0.00 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.38 1kqz n ASN 38 Cb 0.00 -4.12 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 1kqz n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kqz n GLY 39 N -1.64 1.42 3.79 8.20 0.00 -1.26 -5.03 105.19 110.67 1kqz n GLY 39 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1kqz n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kqz s GLN 40 N -0.17 4.19 -0.14 1.61 -0.21 -0.89 -4.99 119.66 119.06 1kqz s GLN 40 Ca 0.00 1.42 -0.29 0.00 0.02 0.00 0.00 55.36 56.51 1kqz s GLN 40 Cb 0.00 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.51 1kqz s GLN 40 CO 0.00 -0.10 1.14 0.99 -2.12 0.00 0.00 175.29 175.20 1kqz s THR 41 N -1.75 4.47 0.27 -0.19 2.01 -1.26 -4.25 115.64 114.94 1kqz s THR 41 Ca 0.58 1.78 -0.30 0.00 0.31 0.00 0.00 61.69 64.06 1kqz s THR 41 Cb -0.19 -4.14 -0.13 0.00 0.01 0.00 0.00 72.50 68.04 1kqz s THR 41 CO 0.24 -0.08 1.28 -2.65 -0.69 0.00 0.00 174.62 172.72 1kqz n PRO 42 N 5.83 1.85 -4.03 4.92 -0.02 -1.26 -4.74 135.00 137.56 1kqz n PRO 42 Ca 0.12 0.65 -0.16 0.00 -2.02 0.00 0.00 63.50 62.09 1kqz n PRO 42 Cb 0.46 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 1kqz n PRO 42 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1kqz s GLN 43 N -1.01 0.34 0.06 -0.52 0.74 -0.47 -5.01 119.66 113.79 1kqz s GLN 43 Ca 0.63 -0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.97 1kqz s GLN 43 Cb -0.66 -0.40 -0.04 0.00 1.10 0.00 0.00 33.01 33.01 1kqz s GLN 43 CO 0.55 -0.01 0.24 -1.50 -0.55 0.00 0.00 175.29 174.02 1kqz s ILE 44 N 0.40 5.35 -0.18 -2.34 2.07 -1.26 -3.14 121.20 122.10 1kqz s ILE 44 Ca -0.04 -0.22 -0.00 0.00 -1.41 0.00 0.00 60.65 58.98 1kqz s ILE 44 Cb -0.07 -3.61 0.04 0.00 0.13 0.00 0.00 42.46 38.95 1kqz s ILE 44 CO -0.01 0.17 -0.07 0.21 -1.91 0.00 0.00 174.94 173.33 1kqz s ASN 45 N -2.33 3.03 -0.33 4.50 3.84 0.05 -4.82 114.94 118.87 1kqz s ASN 45 Ca 0.34 -0.74 0.06 0.00 0.21 0.00 0.00 52.86 52.73 1kqz s ASN 45 Cb -0.13 -1.03 0.45 0.00 -0.55 0.00 0.00 41.25 40.00 1kqz s ASN 45 CO 0.25 -0.17 1.23 0.18 -2.79 0.00 0.00 177.10 175.79 1kqz n LEU 46 N 4.81 5.05 0.00 3.21 4.77 -1.26 -1.50 117.00 132.08 1kqz n LEU 46 Ca -0.13 -4.80 0.00 0.00 -0.03 0.00 0.00 56.01 51.05 1kqz n LEU 46 Cb 0.47 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1kqz n LEU 46 CO 0.18 2.10 0.00 0.00 -1.33 0.00 0.00 177.39 178.33 1kqz n ALA 47 N -0.69 0.00 1.15 -1.18 0.00 -1.16 -1.30 120.51 117.34 1kqz n ALA 47 Ca 0.44 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.99 1kqz n ALA 47 Cb 0.90 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.71 1kqz n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kqz n GLY 48 N 0.00 0.40 0.08 0.00 0.00 -1.26 -4.34 105.19 100.07 1kqz n GLY 48 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1kqz n GLY 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1kqz h HIS 49 N 2.42 0.14 -2.68 1.61 -0.00 -1.48 -3.44 115.15 111.71 1kqz h HIS 49 Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1kqz h HIS 49 Cb 0.53 -0.05 -0.11 0.00 -0.00 0.00 0.00 27.41 27.78 1kqz h HIS 49 CO 0.11 0.13 0.34 0.00 -0.00 0.00 0.00 177.93 178.51 1kqz s ASN 51 N -2.72 5.14 0.65 0.00 3.84 -1.26 -4.63 114.94 115.96 1kqz s ASN 51 Ca 0.05 -0.64 0.30 0.00 0.21 0.00 0.00 52.86 52.79 1kqz s ASN 51 Cb -0.02 -1.89 1.64 0.00 -0.55 0.00 0.00 41.25 40.43 1kqz s ASN 51 CO -0.06 -0.17 1.94 1.55 -2.79 0.00 0.00 177.10 177.57 1kqz h PRO 52 N 8.24 0.00 -7.00 0.43 0.13 -1.87 -2.84 132.00 129.09 1kqz h PRO 52 Ca -0.32 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.28 1kqz h PRO 52 Cb 1.13 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.36 1kqz h PRO 52 CO 0.60 0.00 0.58 0.00 -0.23 0.00 0.00 178.00 178.95 1kqz s ALA 53 N -4.22 3.03 -1.28 -0.56 0.00 -1.26 -2.80 121.76 114.68 1kqz s ALA 53 Ca -0.04 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 1kqz s ALA 53 Cb 0.10 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1kqz s ALA 53 CO 0.34 -0.98 0.12 0.00 0.00 0.00 0.00 175.76 175.24 1kqz n ALA 54 N -0.45 -0.80 -2.56 0.00 0.00 -1.26 -1.33 120.51 114.10 1kqz n ALA 54 Ca 0.07 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 1kqz n ALA 54 Cb 0.45 -2.03 0.01 0.00 0.00 0.00 0.00 19.45 17.88 1kqz n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kqz n GLY 55 N -0.96 -0.20 0.22 0.00 0.00 -1.12 -4.89 105.19 98.23 1kqz n GLY 55 Ca -0.15 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 45.83 1kqz n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1kqz h GLY 56 N -0.55 0.00 -1.32 -0.02 0.00 -0.95 -2.82 103.07 97.42 1kqz h GLY 56 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1kqz h GLY 56 CO 0.41 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.95 1kqz n THR 58 N 0.79 1.15 0.28 0.00 -2.24 -1.06 -1.50 114.28 111.69 1kqz n THR 58 Ca 0.11 0.47 0.16 0.00 -2.27 0.00 0.00 64.05 62.52 1kqz n THR 58 Cb 0.40 -1.41 0.75 0.00 -2.10 0.00 0.00 70.33 67.96 1kqz n THR 58 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1kqz h ILE 59 N 0.00 0.18 0.00 2.28 6.09 -1.80 -2.78 117.51 121.48 1kqz h ILE 59 Ca 0.00 -0.53 -0.01 0.00 -1.37 0.00 0.00 64.86 62.95 1kqz h ILE 59 Cb 0.15 1.44 -0.00 0.00 0.47 0.00 0.00 36.82 38.88 1kqz h ILE 59 CO 0.00 0.05 -0.06 0.58 -3.07 0.00 0.00 178.15 175.65 1kqz h VAL 60 N 0.00 0.54 -0.66 2.19 2.07 -1.44 -2.54 116.25 116.41 1kqz h VAL 60 Ca -0.00 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.36 1kqz h VAL 60 Cb 0.44 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1kqz h VAL 60 CO 0.01 0.06 0.44 0.28 0.02 0.00 0.00 177.57 178.38 1kqz h SER 61 N 0.00 0.35 -0.68 0.57 0.02 -1.14 0.03 113.55 112.70 1kqz h SER 61 Ca -0.00 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1kqz h SER 61 Cb 0.18 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1kqz h SER 61 CO 0.01 0.20 0.12 0.78 -1.14 0.00 0.00 176.83 176.80 1kqz h ASN 62 N 0.39 1.07 -0.30 3.07 2.35 -1.69 -1.87 115.58 118.60 1kqz h ASN 62 Ca 0.31 -0.25 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 1kqz h ASN 62 Cb 0.69 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1kqz h ASN 62 CO -0.09 1.05 -0.32 1.23 -1.65 0.00 0.00 177.43 177.65 1kqz h GLY 63 N 1.06 0.90 0.94 2.83 0.00 -1.20 -2.17 103.07 105.44 1kqz h GLY 63 Ca 0.21 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1kqz h GLY 63 CO 0.01 0.78 0.07 -2.22 0.00 0.00 0.00 176.54 175.18 1kqz h ILE 64 N 0.70 1.08 -0.49 2.60 2.04 -0.90 -1.44 117.51 121.10 1kqz h ILE 64 Ca 0.07 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1kqz h ILE 64 Cb 0.88 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1kqz h ILE 64 CO 0.08 0.07 -0.08 0.03 0.00 0.00 0.00 178.15 178.25 1kqz h ARG 65 N 0.11 0.89 -0.90 2.37 3.08 -1.36 -1.42 114.38 117.14 1kqz h ARG 65 Ca 0.04 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 59.84 1kqz h ARG 65 Cb 0.06 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 1kqz h ARG 65 CO -0.01 0.93 0.58 1.03 -1.07 0.00 0.00 179.97 181.44 1kqz h SER 66 N 0.80 0.96 -0.09 7.04 0.87 -1.17 -0.89 113.55 121.06 1kqz h SER 66 Ca 0.14 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1kqz h SER 66 Cb 0.60 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1kqz h SER 66 CO 0.04 0.65 -0.05 0.00 -0.53 0.00 0.00 176.83 176.94 1kqz h GLN 68 N -0.17 0.68 0.00 0.00 4.20 -0.82 -0.86 115.11 118.15 1kqz h GLN 68 Ca 0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1kqz h GLN 68 Cb 0.51 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1kqz h GLN 68 CO 0.01 0.46 -0.01 -0.84 -0.67 0.00 0.00 178.83 177.78 1kqz h ILE 69 N 0.70 0.03 -0.12 2.54 3.07 -1.23 -1.68 117.51 120.82 1kqz h ILE 69 Ca 0.19 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1kqz h ILE 69 Cb -0.07 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 38.00 1kqz h ILE 69 CO -0.04 0.01 0.00 0.00 -1.05 0.00 0.00 178.15 177.07 1kqz n GLN 70 N -3.11 1.66 -0.68 0.16 6.02 -0.37 -4.91 117.38 116.14 1kqz n GLN 70 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 1kqz n GLN 70 Cb 0.31 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1kqz n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kqz n GLY 71 N 1.12 0.73 3.70 1.08 0.00 -0.63 -5.04 105.19 106.14 1kqz n GLY 71 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1kqz n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kqz s ILE 72 N -2.49 5.04 0.08 -0.61 1.01 -0.92 -4.99 121.20 118.32 1kqz s ILE 72 Ca 0.00 1.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.75 1kqz s ILE 72 Cb 0.00 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 1kqz s ILE 72 CO 0.00 0.21 0.75 -0.54 0.00 0.00 0.00 174.94 175.36 1kqz s LYS 73 N 1.15 4.50 -0.16 2.79 1.02 -1.13 -3.59 119.74 124.32 1kqz s LYS 73 Ca 0.34 1.07 0.02 0.00 0.02 0.00 0.00 55.97 57.42 1kqz s LYS 73 Cb -0.17 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1kqz s LYS 73 CO 0.15 0.40 -0.20 0.08 -0.92 0.00 0.00 175.35 174.85 1kqz s VAL 74 N -0.48 2.02 0.18 3.17 1.01 -1.26 -1.38 120.40 123.66 1kqz s VAL 74 Ca 0.37 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.50 1kqz s VAL 74 Cb -0.21 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1kqz s VAL 74 CO 0.24 0.54 -0.08 -0.04 0.00 0.00 0.00 175.10 175.75 1kqz s MET 75 N 1.10 2.11 -0.23 2.72 -1.94 -0.31 -1.35 119.30 121.39 1kqz s MET 75 Ca -0.00 -1.24 -0.13 0.00 -1.71 0.00 0.00 55.69 52.60 1kqz s MET 75 Cb -0.14 -2.19 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 1kqz s MET 75 CO -0.08 0.44 0.29 -1.17 -0.01 0.00 0.00 175.02 174.49 1kqz s LEU 76 N -2.83 4.11 -0.18 -0.03 2.96 -0.80 -0.41 118.68 121.51 1kqz s LEU 76 Ca 0.25 0.30 -0.19 0.00 -0.22 0.00 0.00 54.13 54.27 1kqz s LEU 76 Cb -0.09 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1kqz s LEU 76 CO 0.16 -0.04 0.54 -0.55 -1.32 0.00 0.00 176.35 175.13 1kqz s SER 77 N 1.18 6.62 -0.03 3.68 0.15 0.36 -0.07 113.70 125.59 1kqz s SER 77 Ca 0.13 0.75 -0.14 0.00 0.70 0.00 0.00 55.95 57.39 1kqz s SER 77 Cb -0.14 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 1kqz s SER 77 CO 0.07 -0.16 0.38 -0.76 1.20 0.00 0.00 173.24 173.98 1kqz s LEU 78 N 1.44 4.44 0.00 3.45 1.43 0.14 -1.05 118.68 128.54 1kqz s LEU 78 Ca 0.26 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1kqz s LEU 78 Cb -0.15 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1kqz s LEU 78 CO 0.10 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.59 1kqz n GLY 79 N 2.00 1.05 0.00 -3.19 0.00 -0.83 -0.90 105.19 103.33 1kqz n GLY 79 Ca -0.14 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1kqz n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kqz n GLY 80 N 0.00 0.71 0.26 -0.02 0.00 -0.17 -4.23 105.19 101.73 1kqz n GLY 80 Ca 0.00 -2.11 0.15 0.00 0.00 0.00 0.00 46.02 44.06 1kqz n GLY 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1kqz h GLY 81 N 0.00 0.00 -5.95 -0.02 0.00 -1.98 -3.41 103.07 91.71 1kqz h GLY 81 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1kqz h GLY 81 CO 0.00 0.00 -0.83 -0.42 0.00 0.00 0.00 176.54 175.29 1kqz s ILE 82 N -3.72 1.34 0.00 2.60 1.01 -1.26 -5.03 121.20 116.13 1kqz s ILE 82 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1kqz s ILE 82 Cb 0.10 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1kqz s ILE 82 CO 0.57 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.53 1kqz n GLY 83 N 4.06 3.50 2.56 6.18 0.00 -1.26 -4.84 105.19 115.38 1kqz n GLY 83 Ca -0.20 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 1kqz n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kqz n SER 84 N 0.00 7.21 -4.82 1.61 3.41 -1.17 -5.00 113.62 114.87 1kqz n SER 84 Ca 0.00 -3.80 -0.36 0.00 -0.26 0.00 0.00 58.87 54.45 1kqz n SER 84 Cb 0.00 -0.93 -0.06 0.00 -0.26 0.00 0.00 64.21 62.96 1kqz n SER 84 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1kqz s TYR 85 N -3.89 3.62 0.06 7.33 -0.85 -1.20 -4.31 117.35 118.10 1kqz s TYR 85 Ca 0.57 1.35 -0.27 0.00 -0.52 0.00 0.00 57.07 58.21 1kqz s TYR 85 Cb 0.47 -2.60 0.09 0.00 0.38 0.00 0.00 41.96 40.30 1kqz s TYR 85 CO -0.19 0.32 1.19 -0.08 -1.52 0.00 0.00 175.55 175.27 1kqz s THR 86 N -1.56 0.00 -0.11 -3.49 -1.32 -0.89 -4.68 115.64 103.59 1kqz s THR 86 Ca 0.44 -0.35 -0.02 0.00 -1.21 0.00 0.00 61.69 60.55 1kqz s THR 86 Cb -0.16 -2.55 0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1kqz s THR 86 CO 0.21 0.00 0.01 -0.76 -2.21 0.00 0.00 174.62 171.86 1kqz s LEU 87 N -3.36 0.78 0.24 9.08 1.43 -1.26 -3.81 118.68 121.78 1kqz s LEU 87 Ca 0.21 -0.31 0.14 0.00 -1.03 0.00 0.00 54.13 53.14 1kqz s LEU 87 Cb 0.00 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.74 1kqz s LEU 87 CO 0.00 -0.22 1.37 0.00 0.23 0.00 0.00 176.35 177.73 1kqz h ALA 88 N 8.30 0.64 -2.78 4.21 0.00 -1.93 -3.46 119.26 124.23 1kqz h ALA 88 Ca -0.19 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1kqz h ALA 88 Cb 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1kqz h ALA 88 CO 0.29 0.72 0.29 -1.13 0.00 0.00 0.00 179.25 179.42 1kqz n SER 89 N -3.21 -1.90 0.12 0.00 3.41 -1.26 -4.99 113.62 105.79 1kqz n SER 89 Ca 0.01 -2.27 -0.02 0.00 -0.26 0.00 0.00 58.87 56.33 1kqz n SER 89 Cb 0.77 3.15 0.18 0.00 -0.26 0.00 0.00 64.21 68.05 1kqz n SER 89 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1kqz h GLN 90 N 0.00 0.12 -0.45 4.33 4.15 -1.95 -2.43 115.11 118.87 1kqz h GLN 90 Ca -0.28 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 58.98 1kqz h GLN 90 Cb 1.06 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 1kqz h GLN 90 CO 0.36 0.64 -0.08 0.00 -1.93 0.00 0.00 178.83 177.82 1kqz h ALA 91 N 1.34 1.01 -0.73 3.38 0.00 -1.99 -2.02 119.26 120.26 1kqz h ALA 91 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1kqz h ALA 91 Cb 1.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1kqz h ALA 91 CO 0.08 0.60 0.24 0.22 0.00 0.00 0.00 179.25 180.38 1kqz h ASP 92 N 0.72 1.05 -0.98 0.00 3.58 -1.87 -0.77 116.42 118.15 1kqz h ASP 92 Ca 0.13 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.39 1kqz h ASP 92 Cb 0.56 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 1kqz h ASP 92 CO 0.03 0.97 0.65 0.00 -2.88 0.00 0.00 179.24 178.01 1kqz h ALA 93 N 1.12 1.31 -0.27 -0.78 0.00 -0.95 -0.72 119.26 118.96 1kqz h ALA 93 Ca 0.24 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1kqz h ALA 93 Cb 0.29 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1kqz h ALA 93 CO -0.01 0.64 -0.15 -0.22 0.00 0.00 0.00 179.25 179.51 1kqz h LYS 94 N 1.32 0.59 -0.65 0.00 3.64 -0.81 -2.02 116.57 118.64 1kqz h LYS 94 Ca 0.36 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1kqz h LYS 94 Cb -0.14 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1kqz h LYS 94 CO -0.08 0.84 0.40 -0.91 -2.27 0.00 0.00 179.45 177.43 1kqz h ASN 95 N 0.32 0.77 -0.42 4.20 -0.26 -0.69 -0.85 115.58 118.66 1kqz h ASN 95 Ca 0.06 -0.05 -0.12 0.00 -0.56 0.00 0.00 56.30 55.63 1kqz h ASN 95 Cb 0.68 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 1kqz h ASN 95 CO 0.04 0.59 -0.19 0.58 -1.06 0.00 0.00 177.43 177.40 1kqz h VAL 96 N 0.88 1.27 -0.19 2.81 2.07 -1.14 -1.33 116.25 120.62 1kqz h VAL 96 Ca 0.23 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1kqz h VAL 96 Cb -0.05 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1kqz h VAL 96 CO -0.05 0.46 0.11 0.00 0.02 0.00 0.00 177.57 178.11 1kqz h ALA 97 N 0.98 0.24 -0.66 1.67 0.00 -0.99 0.13 119.26 120.63 1kqz h ALA 97 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1kqz h ALA 97 Cb 0.74 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1kqz h ALA 97 CO 0.06 -0.25 0.29 -0.44 0.00 0.00 0.00 179.25 178.91 1kqz h ASP 98 N 0.22 0.86 0.26 0.00 3.32 -1.06 -0.43 116.42 119.60 1kqz h ASP 98 Ca 0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1kqz h ASP 98 Cb 0.04 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1kqz h ASP 98 CO -0.01 0.76 -0.13 0.22 -1.72 0.00 0.00 179.24 178.36 1kqz h TYR 99 N 0.94 -0.33 -0.73 4.55 3.20 -0.81 -2.02 116.97 121.78 1kqz h TYR 99 Ca 0.23 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.15 1kqz h TYR 99 Cb 0.14 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 1kqz h TYR 99 CO 0.01 -0.16 0.42 -0.07 -1.64 0.00 0.00 178.16 176.73 1kqz h LEU 100 N -0.42 0.65 -0.41 2.82 3.38 -0.68 -0.48 115.31 120.18 1kqz h LEU 100 Ca -0.04 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1kqz h LEU 100 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1kqz h LEU 100 CO 0.06 0.42 0.26 -0.25 0.09 0.00 0.00 178.44 179.01 1kqz h TRP 101 N 0.78 0.48 0.00 1.13 2.91 -0.90 0.14 115.95 120.49 1kqz h TRP 101 Ca 0.32 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.26 1kqz h TRP 101 Cb 0.17 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1kqz h TRP 101 CO -0.06 0.29 -0.44 -0.91 -1.03 0.00 0.00 178.44 176.30 1kqz h ASN 102 N 0.52 0.00 0.00 2.65 2.35 -1.04 0.30 115.58 120.36 1kqz h ASN 102 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1kqz h ASN 102 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1kqz h ASN 102 CO -0.05 0.44 -1.74 0.59 -1.65 0.00 0.00 177.43 175.01 1kqz n ASN 103 N -3.23 0.87 0.00 5.81 3.02 -0.22 -3.07 115.26 118.44 1kqz n ASN 103 Ca 0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1kqz n ASN 103 Cb 0.69 1.75 0.00 0.00 -0.61 0.00 0.00 39.78 41.62 1kqz n ASN 103 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1kqz n PHE 104 N -2.07 0.00 -0.90 3.10 3.72 -0.01 -4.28 117.46 117.03 1kqz n PHE 104 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1kqz n PHE 104 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1kqz n PHE 104 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1kqz n LEU 105 N -0.62 0.00 0.00 4.37 4.77 -0.93 -1.74 117.00 122.86 1kqz n LEU 105 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1kqz n LEU 105 Cb 0.00 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 1kqz n LEU 105 CO 0.00 0.00 0.73 0.61 -1.33 0.00 0.00 177.39 177.40 1kqz n GLY 106 N 5.00 -0.77 0.00 -0.72 0.00 -1.19 -4.78 105.19 102.73 1kqz n GLY 106 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1kqz n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kqz n GLY 107 N 0.46 -0.84 3.11 -0.02 0.00 0.10 -4.98 105.19 103.01 1kqz n GLY 107 Ca 0.12 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 1kqz n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqz s LYS 108 N -1.31 1.29 -0.15 1.61 -0.14 -1.23 -4.79 119.74 115.02 1kqz s LYS 108 Ca 0.00 -0.52 -0.24 0.00 -1.36 0.00 0.00 55.97 53.85 1kqz s LYS 108 Cb 0.00 -1.21 0.06 0.00 -1.68 0.00 0.00 37.83 35.00 1kqz s LYS 108 CO 0.00 0.28 0.61 0.45 -0.76 0.00 0.00 175.35 175.93 1kqz s SER 109 N -0.19 -0.61 0.00 2.83 0.15 -1.17 -4.75 113.70 109.95 1kqz s SER 109 Ca 0.02 0.97 0.29 0.00 0.70 0.00 0.00 55.95 57.93 1kqz s SER 109 Cb -0.07 0.95 1.17 0.00 -1.71 0.00 0.00 66.02 66.36 1kqz s SER 109 CO 0.00 -0.36 1.81 -1.54 1.20 0.00 0.00 173.24 174.35 1kqz n SER 110 N 2.02 1.25 -2.66 5.45 3.41 -1.26 -4.21 113.62 117.63 1kqz n SER 110 Ca -0.16 -1.40 -0.09 0.00 -0.26 0.00 0.00 58.87 56.96 1kqz n SER 110 Cb 0.56 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1kqz n SER 110 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1kqz n SER 111 N -0.04 1.53 -4.65 4.04 3.41 -1.26 -5.08 113.62 111.57 1kqz n SER 111 Ca 0.20 -2.73 -0.42 0.00 -0.26 0.00 0.00 58.87 55.65 1kqz n SER 111 Cb 0.32 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1kqz n SER 111 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kqz s ARG 112 N -3.14 4.00 0.27 4.33 0.52 -1.26 -4.90 118.95 118.78 1kqz s ARG 112 Ca 0.28 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.67 1kqz s ARG 112 Cb 0.46 -4.07 0.61 0.00 0.52 0.00 0.00 34.95 32.47 1kqz s ARG 112 CO 0.03 -1.07 1.71 -1.35 0.02 0.00 0.00 175.30 174.64 1kqz h PRO 113 N 10.52 0.41 -0.45 3.54 0.11 -1.95 -2.75 132.00 141.44 1kqz h PRO 113 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1kqz h PRO 113 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1kqz h PRO 113 CO 0.96 0.27 0.00 1.28 -0.21 0.00 0.00 178.00 180.30 1kqz n LEU 114 N -5.03 3.32 0.00 2.35 4.77 -1.26 -3.36 117.00 117.79 1kqz n LEU 114 Ca 0.19 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1kqz n LEU 114 Cb 0.55 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1kqz n LEU 114 CO 0.15 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1kqz n GLY 115 N 1.19 -0.76 0.18 -0.72 0.00 -1.04 -2.22 105.19 101.81 1kqz n GLY 115 Ca 0.17 -2.18 0.14 0.00 0.00 0.00 0.00 46.02 44.16 1kqz n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kqz n ASP 116 N 0.00 0.65 -4.76 1.61 5.75 -1.26 -4.77 116.55 113.76 1kqz n ASP 116 Ca 0.00 -0.83 -0.36 0.00 -0.01 0.00 0.00 54.79 53.59 1kqz n ASP 116 Cb 0.00 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1kqz n ASP 116 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kqz s ALA 117 N -2.33 2.73 -0.31 2.12 0.00 -1.26 -5.00 121.76 117.71 1kqz s ALA 117 Ca 0.33 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 53.21 1kqz s ALA 117 Cb 0.20 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1kqz s ALA 117 CO 0.44 -0.98 0.12 0.08 0.00 0.00 0.00 175.76 175.42 1kqz s VAL 118 N -1.57 4.26 0.70 0.00 1.01 -1.26 -4.82 120.40 118.71 1kqz s VAL 118 Ca 0.72 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1kqz s VAL 118 Cb -0.30 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1kqz s VAL 118 CO 0.34 0.03 1.15 -0.76 0.00 0.00 0.00 175.10 175.87 1kqz s LEU 119 N 1.54 3.34 0.20 3.92 1.43 -0.71 -4.96 118.68 123.44 1kqz s LEU 119 Ca 0.03 2.16 0.10 0.00 -1.03 0.00 0.00 54.13 55.39 1kqz s LEU 119 Cb -0.17 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.52 1kqz s LEU 119 CO 0.04 -1.95 1.42 0.44 0.23 0.00 0.00 176.35 176.53 1kqz h ASP 120 N -0.17 0.00 -0.84 2.29 3.32 -1.55 -3.45 116.42 116.02 1kqz h ASP 120 Ca -0.47 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.64 1kqz h ASP 120 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1kqz h ASP 120 CO 0.52 0.78 0.18 0.61 -1.72 0.00 0.00 179.24 179.62 1kqz n GLY 121 N 0.97 0.82 3.22 2.75 0.00 -1.22 -0.71 105.19 111.01 1kqz n GLY 121 Ca -0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1kqz n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kqz s ILE 122 N -2.28 1.93 -0.19 -0.61 -1.09 -0.05 -1.91 121.20 116.99 1kqz s ILE 122 Ca 0.07 -0.97 -0.08 0.00 -2.23 0.00 0.00 60.65 57.44 1kqz s ILE 122 Cb -0.00 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.18 1kqz s ILE 122 CO 0.01 0.53 0.08 -0.62 -1.23 0.00 0.00 174.94 173.71 1kqz s ASP 123 N 0.13 5.72 -0.60 3.58 2.15 0.90 -1.74 116.67 126.81 1kqz s ASP 123 Ca -0.11 0.09 -0.18 0.00 0.43 0.00 0.00 52.55 52.77 1kqz s ASP 123 Cb -0.15 -1.99 0.11 0.00 -0.30 0.00 0.00 42.92 40.59 1kqz s ASP 123 CO 0.06 0.15 0.67 -0.36 -0.17 0.00 0.00 175.17 175.52 1kqz s PHE 124 N 0.50 3.08 -0.68 -5.34 0.40 0.11 0.28 117.98 116.34 1kqz s PHE 124 Ca 0.04 -1.08 0.03 0.00 -0.60 0.00 0.00 56.93 55.32 1kqz s PHE 124 Cb -0.12 -3.97 0.36 0.00 0.51 0.00 0.00 43.02 39.79 1kqz s PHE 124 CO 0.01 -1.23 1.33 0.00 0.70 0.00 0.00 175.22 176.02 1kqz n ALA 125 N 6.01 5.34 -2.61 5.36 0.00 -0.08 -1.26 120.51 133.27 1kqz n ALA 125 Ca -0.09 -4.51 -0.43 0.00 0.00 0.00 0.00 53.44 48.42 1kqz n ALA 125 Cb 0.42 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1kqz n ALA 125 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1kqz s ILE 126 N -4.81 4.40 -0.21 0.00 -1.09 -1.26 -1.00 121.20 117.23 1kqz s ILE 126 Ca 0.47 1.39 0.09 0.00 -2.23 0.00 0.00 60.65 60.37 1kqz s ILE 126 Cb 0.32 -4.48 -0.12 0.00 -1.58 0.00 0.00 42.46 36.60 1kqz s ILE 126 CO -0.19 -0.72 0.28 0.00 -1.23 0.00 0.00 174.94 173.09 1kqz n ALA 127 N 7.25 2.74 -3.81 9.38 0.00 -1.26 -4.75 120.51 130.04 1kqz n ALA 127 Ca 0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1kqz n ALA 127 Cb 0.48 -0.31 0.02 0.00 0.00 0.00 0.00 19.45 19.65 1kqz n ALA 127 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1kqz s HIS 128 N -2.20 0.12 0.00 0.00 -3.43 -1.26 -5.03 115.29 103.49 1kqz s HIS 128 Ca 0.00 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 1kqz s HIS 128 Cb 0.06 0.83 0.00 0.00 -1.43 0.00 0.00 32.58 32.04 1kqz s HIS 128 CO 0.36 -1.53 0.00 0.41 -2.00 0.00 0.00 174.74 171.98 1kqz n GLY 129 N -0.55 0.96 3.86 -1.38 0.00 -1.26 -4.93 105.19 101.89 1kqz n GLY 129 Ca -0.08 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 1kqz n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kqz s SER 130 N -4.00 6.74 0.00 1.61 1.04 -1.26 -4.98 113.70 112.85 1kqz s SER 130 Ca 0.00 0.98 0.25 0.00 0.48 0.00 0.00 55.95 57.65 1kqz s SER 130 Cb 0.00 -2.25 0.32 0.00 0.10 0.00 0.00 66.02 64.20 1kqz s SER 130 CO 0.00 0.07 1.33 0.35 0.98 0.00 0.00 173.24 175.97 1kqz n THR 131 N 0.58 0.00 -4.08 2.02 -2.24 -1.26 -4.90 114.28 104.40 1kqz n THR 131 Ca -0.04 -0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.07 1kqz n THR 131 Cb 0.52 1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 1kqz n THR 131 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kqz s LEU 132 N -2.08 3.82 0.00 3.22 1.43 -1.26 -4.67 118.68 119.14 1kqz s LEU 132 Ca 0.28 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1kqz s LEU 132 Cb 0.20 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1kqz s LEU 132 CO 0.35 0.05 0.00 -1.22 0.23 0.00 0.00 176.35 175.76 1kqz n TYR 133 N -0.47 0.00 0.20 0.29 4.01 -1.26 -4.72 117.16 115.21 1kqz n TYR 133 Ca -0.08 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.71 1kqz n TYR 133 Cb 0.55 -0.35 0.44 0.00 -0.31 0.00 0.00 39.34 39.67 1kqz n TYR 133 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 1kqz h TRP 134 N 0.00 0.00 -0.03 -0.72 4.06 -1.89 -1.40 115.95 115.97 1kqz h TRP 134 Ca 0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 1kqz h TRP 134 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1kqz h TRP 134 CO 0.00 0.31 -0.66 0.38 -3.56 0.00 0.00 178.44 174.91 1kqz h ASP 135 N 0.00 0.15 -0.28 -3.49 2.03 -1.89 -2.26 116.42 110.67 1kqz h ASP 135 Ca -0.00 -0.09 -0.11 0.00 -0.73 0.00 0.00 57.03 56.09 1kqz h ASP 135 Cb 0.60 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1kqz h ASP 135 CO 0.04 0.76 -0.26 0.44 -1.03 0.00 0.00 179.24 179.20 1kqz h ASP 136 N 0.09 0.72 -0.89 4.15 3.32 -1.77 -1.93 116.42 120.11 1kqz h ASP 136 Ca -0.01 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 56.61 1kqz h ASP 136 Cb 1.18 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 1kqz h ASP 136 CO 0.09 1.03 0.57 0.25 -1.72 0.00 0.00 179.24 179.47 1kqz h LEU 137 N 0.41 0.96 -0.58 1.55 5.85 -1.19 0.06 115.31 122.37 1kqz h LEU 137 Ca 0.05 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1kqz h LEU 137 Cb 0.82 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1kqz h LEU 137 CO 0.07 0.66 0.27 0.00 -0.34 0.00 0.00 178.44 179.09 1kqz h ALA 138 N 1.36 0.76 -0.18 1.25 0.00 -1.26 -1.52 119.26 119.67 1kqz h ALA 138 Ca 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1kqz h ALA 138 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1kqz h ALA 138 CO -0.11 0.33 0.02 0.00 0.00 0.00 0.00 179.25 179.48 1kqz h ARG 139 N 0.80 0.31 -0.83 0.00 3.08 -0.58 -0.75 114.38 116.41 1kqz h ARG 139 Ca 0.20 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1kqz h ARG 139 Cb 0.14 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1kqz h ARG 139 CO -0.02 0.49 0.52 1.88 -1.07 0.00 0.00 179.97 181.77 1kqz h TYR 140 N 0.08 1.06 -0.41 3.04 0.05 -0.91 -0.51 116.97 119.36 1kqz h TYR 140 Ca 0.05 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 1kqz h TYR 140 Cb 0.34 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1kqz h TYR 140 CO 0.03 0.69 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.74 1kqz h LEU 141 N 1.13 0.73 -1.31 3.88 3.38 -1.22 -2.97 115.31 118.93 1kqz h LEU 141 Ca 0.30 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1kqz h LEU 141 Cb -0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1kqz h LEU 141 CO -0.06 0.87 0.32 -1.28 0.09 0.00 0.00 178.44 178.38 1kqz h SER 142 N 0.57 0.70 0.09 -0.43 0.87 -0.67 -2.24 113.55 112.44 1kqz h SER 142 Ca 0.12 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1kqz h SER 142 Cb 0.50 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1kqz h SER 142 CO 0.02 0.56 -0.04 0.00 -0.53 0.00 0.00 176.83 176.85 1kqz h ALA 143 N 1.55 1.55 0.00 6.23 0.00 -0.93 -1.52 119.26 126.13 1kqz h ALA 143 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kqz h ALA 143 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1kqz h ALA 143 CO -0.03 0.05 0.00 1.88 0.00 0.00 0.00 179.25 181.14 1kqz h TYR 144 N 0.00 0.00 0.00 0.00 0.05 -1.42 -2.74 116.97 112.86 1kqz h TYR 144 Ca -0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1kqz h TYR 144 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1kqz h TYR 144 CO 0.00 0.00 -0.33 0.77 -1.05 0.00 0.00 178.16 177.55 1kqz h SER 145 N 0.00 0.00 0.20 3.88 0.02 -1.40 -2.65 113.55 113.59 1kqz h SER 145 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kqz h SER 145 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1kqz h SER 145 CO 0.00 0.33 0.00 0.29 -1.14 0.00 0.00 176.83 176.31 1kqz n LYS 146 N -4.05 0.05 -0.02 3.45 5.02 -1.03 -1.69 118.16 119.89 1kqz n LYS 146 Ca -0.02 0.46 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 1kqz n LYS 146 Cb 0.38 -1.62 0.60 0.00 -0.02 0.00 0.00 35.03 34.37 1kqz n LYS 146 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1kqz n GLN 147 N -1.71 1.46 0.00 1.97 6.02 -1.00 -4.96 117.38 119.15 1kqz n GLN 147 Ca 0.01 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.33 1kqz n GLN 147 Cb 0.07 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1kqz n GLN 147 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kqz n GLY 148 N 1.09 2.46 3.70 1.08 0.00 -0.68 -5.10 105.19 107.74 1kqz n GLY 148 Ca 0.19 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1kqz n GLY 148 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kqz s LYS 149 N 0.00 4.28 0.20 1.61 2.20 -1.26 -5.04 119.74 121.74 1kqz s LYS 149 Ca 0.00 0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 55.68 1kqz s LYS 149 Cb 0.00 -3.48 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 1kqz s LYS 149 CO 0.00 0.07 1.48 0.21 -0.36 0.00 0.00 175.35 176.75 1kqz s LYS 150 N 0.93 4.26 -0.40 4.03 2.20 -1.26 -4.36 119.74 125.13 1kqz s LYS 150 Ca 0.24 2.30 -0.14 0.00 -0.36 0.00 0.00 55.97 58.01 1kqz s LYS 150 Cb -0.15 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 1kqz s LYS 150 CO 0.09 -0.49 0.27 0.08 -0.36 0.00 0.00 175.35 174.94 1kqz s VAL 151 N 0.51 5.02 0.35 4.02 1.01 -1.26 -4.85 120.40 125.21 1kqz s VAL 151 Ca 0.64 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1kqz s VAL 151 Cb -0.42 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1kqz s VAL 151 CO 0.38 -0.28 1.15 -0.31 0.00 0.00 0.00 175.10 176.03 1kqz s TYR 152 N 1.64 3.25 -0.15 5.22 1.51 0.11 -4.86 117.35 124.07 1kqz s TYR 152 Ca 0.04 1.59 0.02 0.00 -1.01 0.00 0.00 57.07 57.71 1kqz s TYR 152 Cb -0.19 -3.36 0.02 0.00 -0.11 0.00 0.00 41.96 38.31 1kqz s TYR 152 CO 0.09 -1.06 -0.19 -0.51 -1.11 0.00 0.00 175.55 172.77 1kqz s LEU 153 N -2.09 1.99 0.17 -1.29 1.43 -1.26 -0.88 118.68 116.75 1kqz s LEU 153 Ca 0.52 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1kqz s LEU 153 Cb -0.31 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1kqz s LEU 153 CO 0.40 0.02 -0.12 0.42 0.23 0.00 0.00 176.35 177.30 1kqz s THR 154 N 1.10 1.43 0.02 5.49 -4.23 -0.71 -0.34 115.64 118.41 1kqz s THR 154 Ca -0.01 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.36 1kqz s THR 154 Cb -0.14 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 1kqz s THR 154 CO -0.07 -0.66 0.04 0.00 -0.54 0.00 0.00 174.62 173.40 1kqz s ALA 155 N -3.09 -0.03 -0.53 3.99 0.00 -0.88 0.04 121.76 121.26 1kqz s ALA 155 Ca 0.19 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 51.75 1kqz s ALA 155 Cb 0.01 0.16 0.27 0.00 0.00 0.00 0.00 23.12 23.56 1kqz s ALA 155 CO 0.03 -0.21 0.71 0.00 0.00 0.00 0.00 175.76 176.30 1kqz n ALA 156 N 1.36 3.51 -1.34 0.00 0.00 -0.39 -0.93 120.51 122.71 1kqz n ALA 156 Ca -0.22 -4.24 -0.31 0.00 0.00 0.00 0.00 53.44 48.66 1kqz n ALA 156 Cb 0.56 -0.85 0.09 0.00 0.00 0.00 0.00 19.45 19.25 1kqz n ALA 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kqz s PRO 157 N -2.26 2.25 0.63 0.00 0.04 -1.25 -4.71 135.00 129.70 1kqz s PRO 157 Ca 0.40 1.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 1kqz s PRO 157 Cb 0.19 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 1kqz s PRO 157 CO -0.06 -1.61 1.04 -0.65 0.04 0.00 0.00 177.00 175.76 1kqz s GLN 158 N -4.95 3.28 0.54 4.56 -1.52 -1.26 -0.75 119.66 119.56 1kqz s GLN 158 Ca 0.61 0.99 0.32 0.00 -1.95 0.00 0.00 55.36 55.33 1kqz s GLN 158 Cb -0.16 -2.03 1.42 0.00 -0.22 0.00 0.00 33.01 32.01 1kqz s GLN 158 CO 0.56 -0.83 2.01 0.00 -0.25 0.00 0.00 175.29 176.78 1kqz s PRO 160 N -3.80 4.06 -0.14 0.00 0.02 -1.26 -4.96 135.00 128.92 1kqz s PRO 160 Ca -0.00 2.11 -0.11 0.00 0.02 0.00 0.00 61.00 63.02 1kqz s PRO 160 Cb 0.10 -4.02 -0.05 0.00 0.02 0.00 0.00 34.50 30.55 1kqz s PRO 160 CO 0.55 -0.99 0.21 0.12 -0.33 0.00 0.00 177.00 176.57 1kqz s PHE 161 N 4.46 3.53 0.49 6.54 2.19 -1.26 -3.27 117.98 130.65 1kqz s PHE 161 Ca 0.75 0.55 -0.08 0.00 0.33 0.00 0.00 56.93 58.48 1kqz s PHE 161 Cb -0.32 -2.15 -0.05 0.00 -1.31 0.00 0.00 43.02 39.19 1kqz s PHE 161 CO 0.30 0.48 0.83 -1.25 1.83 0.00 0.00 175.22 177.41 1kqz s PRO 162 N -0.27 3.63 -0.00 10.12 0.04 -1.26 -5.11 135.00 142.14 1kqz s PRO 162 Ca 0.15 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.27 1kqz s PRO 162 Cb -0.13 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1kqz s PRO 162 CO 0.04 -0.23 1.29 0.34 0.04 0.00 0.00 177.00 178.47 1kqz s ASP 163 N -3.84 6.96 0.45 6.66 -1.08 -1.20 -4.93 116.67 119.69 1kqz s ASP 163 Ca 0.50 2.00 0.16 0.00 -0.52 0.00 0.00 52.55 54.69 1kqz s ASP 163 Cb -0.10 -2.56 1.09 0.00 -1.46 0.00 0.00 42.92 39.88 1kqz s ASP 163 CO 0.43 -0.62 1.98 -0.09 0.52 0.00 0.00 175.17 177.39 1kqz h ARG 164 N 7.44 0.33 0.00 4.34 2.43 -1.96 -0.52 114.38 126.44 1kqz h ARG 164 Ca -0.37 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.47 1kqz h ARG 164 Cb 1.18 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 1kqz h ARG 164 CO 0.87 0.22 -2.15 0.66 -1.51 0.00 0.00 179.97 178.07 1kqz n TYR 165 N -4.46 0.00 0.49 2.20 4.02 -1.26 -4.65 117.16 113.50 1kqz n TYR 165 Ca 0.10 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.06 1kqz n TYR 165 Cb 0.40 -0.81 0.08 0.00 -0.02 0.00 0.00 39.34 38.99 1kqz n TYR 165 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1kqz n LEU 166 N -2.75 2.30 -0.08 7.72 4.77 -1.22 -4.68 117.00 123.07 1kqz n LEU 166 Ca -0.30 -1.12 -0.07 0.00 -0.03 0.00 0.00 56.01 54.49 1kqz n LEU 166 Cb 1.00 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 42.04 1kqz n LEU 166 CO 0.31 0.45 0.83 1.23 -1.33 0.00 0.00 177.39 178.87 1kqz h GLY 167 N 2.76 0.23 0.89 -0.72 0.00 -1.35 0.13 103.07 105.02 1kqz h GLY 167 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1kqz h GLY 167 CO 0.00 -0.09 0.03 -0.84 0.00 0.00 0.00 176.54 175.64 1kqz h THR 168 N 0.03 1.24 -0.81 4.70 2.02 -1.83 -2.24 112.91 116.02 1kqz h THR 168 Ca 0.14 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.47 1kqz h THR 168 Cb 0.20 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1kqz h THR 168 CO -0.27 0.28 0.53 0.00 0.37 0.00 0.00 175.52 176.43 1kqz h ALA 169 N 0.87 1.04 0.00 6.16 0.00 -1.80 -1.65 119.26 123.88 1kqz h ALA 169 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1kqz h ALA 169 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1kqz h ALA 169 CO 0.01 0.41 -0.22 -0.07 0.00 0.00 0.00 179.25 179.38 1kqz h LEU 170 N 1.08 0.00 -0.54 0.00 3.38 -0.86 -2.47 115.31 115.88 1kqz h LEU 170 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1kqz h LEU 170 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1kqz h LEU 170 CO -0.08 0.22 0.00 0.59 0.09 0.00 0.00 178.44 179.27 1kqz n ASN 171 N -3.58 0.73 0.23 -0.43 5.03 -0.63 -2.71 115.26 113.90 1kqz n ASN 171 Ca -0.01 0.65 0.10 0.00 0.87 0.00 0.00 54.58 56.19 1kqz n ASN 171 Cb 0.36 -0.82 0.52 0.00 -1.02 0.00 0.00 39.78 38.83 1kqz n ASN 171 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1kqz h THR 172 N 0.00 0.67 -0.05 3.41 1.35 -1.34 -3.47 112.91 113.49 1kqz h THR 172 Ca 0.00 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.84 1kqz h THR 172 Cb 0.47 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1kqz h THR 172 CO 0.00 0.22 -0.02 0.61 -0.25 0.00 0.00 175.52 176.08 1kqz n GLY 173 N -0.17 0.49 0.01 5.82 0.00 -1.10 -4.92 105.19 105.31 1kqz n GLY 173 Ca -0.01 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.64 1kqz n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kqz n LEU 174 N -0.11 0.53 -4.73 0.99 4.77 -1.26 -4.84 117.00 112.34 1kqz n LEU 174 Ca -0.01 0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1kqz n LEU 174 Cb 0.06 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1kqz n LEU 174 CO 0.02 0.11 0.57 -0.36 -1.33 0.00 0.00 177.39 176.39 1kqz s PHE 175 N -3.02 3.72 -0.12 -1.77 0.40 -1.26 -4.65 117.98 111.28 1kqz s PHE 175 Ca 0.10 1.59 -0.26 0.00 -0.60 0.00 0.00 56.93 57.77 1kqz s PHE 175 Cb 0.17 -2.95 -0.27 0.00 0.51 0.00 0.00 43.02 40.47 1kqz s PHE 175 CO 0.71 0.17 0.76 -0.44 0.70 0.00 0.00 175.22 177.11 1kqz h ASP 176 N 6.02 0.16 -3.82 1.36 3.32 -1.04 -2.64 116.42 119.78 1kqz h ASP 176 Ca -0.43 -0.94 -0.45 0.00 0.02 0.00 0.00 57.03 55.23 1kqz h ASP 176 Cb 1.21 -0.05 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 1kqz h ASP 176 CO 0.73 1.19 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.33 1kqz s TYR 177 N -2.31 1.07 -0.21 4.55 2.02 -1.20 -1.17 117.35 120.10 1kqz s TYR 177 Ca -0.18 -0.27 -0.00 0.00 -0.37 0.00 0.00 57.07 56.24 1kqz s TYR 177 Cb -0.01 -0.75 0.05 0.00 -0.40 0.00 0.00 41.96 40.85 1kqz s TYR 177 CO 0.73 -0.11 -0.05 0.08 -1.57 0.00 0.00 175.55 174.63 1kqz s VAL 178 N 0.18 1.30 -0.52 0.71 1.01 -0.27 -2.07 120.40 120.73 1kqz s VAL 178 Ca -0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 1kqz s VAL 178 Cb -0.09 -1.55 0.13 0.00 0.00 0.00 0.00 36.38 34.87 1kqz s VAL 178 CO 0.01 -0.01 0.44 -1.66 0.00 0.00 0.00 175.10 173.87 1kqz s TRP 179 N 1.52 3.33 0.09 5.22 -2.14 -0.11 -0.28 118.94 126.58 1kqz s TRP 179 Ca -0.03 -1.56 -0.30 0.00 2.66 0.00 0.00 56.10 56.87 1kqz s TRP 179 Cb -0.17 -3.67 -0.06 0.00 -3.10 0.00 0.00 33.47 26.46 1kqz s TRP 179 CO -0.07 -1.01 1.21 0.08 -2.66 0.00 0.00 176.95 174.50 1kqz s VAL 180 N 1.47 3.88 -0.62 -0.66 1.01 -0.94 -3.93 120.40 120.60 1kqz s VAL 180 Ca 0.04 1.40 -0.23 0.00 0.00 0.00 0.00 61.98 63.19 1kqz s VAL 180 Cb -0.28 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1kqz s VAL 180 CO 0.01 0.14 0.97 -1.10 0.00 0.00 0.00 175.10 175.12 1kqz s GLN 181 N 0.76 3.19 -0.44 2.72 -0.21 0.08 -0.06 119.66 125.70 1kqz s GLN 181 Ca 0.58 -0.60 -0.04 0.00 0.02 0.00 0.00 55.36 55.31 1kqz s GLN 181 Cb -0.31 -4.16 0.04 0.00 1.00 0.00 0.00 33.01 29.58 1kqz s GLN 181 CO 0.31 -1.71 2.82 1.19 -2.12 0.00 0.00 175.29 175.78 1kqz n PHE 182 N 7.70 1.51 -3.83 0.91 3.72 -0.44 -2.12 117.46 124.91 1kqz n PHE 182 Ca -0.02 -1.93 -0.09 0.00 -0.05 0.00 0.00 57.45 55.36 1kqz n PHE 182 Cb 0.46 -1.40 -0.05 0.00 -0.94 0.00 0.00 39.48 37.55 1kqz n PHE 182 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1kqz s PHE 183 N -1.53 0.09 -1.86 1.38 -0.71 -1.26 -4.43 117.98 109.67 1kqz s PHE 183 Ca 0.59 -0.45 0.00 0.00 -1.04 0.00 0.00 56.93 56.04 1kqz s PHE 183 Cb 0.38 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 42.40 1kqz s PHE 183 CO -0.21 -0.84 0.00 0.09 -1.34 0.00 0.00 175.22 172.92 1kqz n ASN 184 N -0.29 -5.68 -3.32 1.98 3.02 -0.85 -4.86 115.26 105.26 1kqz n ASN 184 Ca -0.09 0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.48 1kqz n ASN 184 Cb 0.63 -4.81 -0.06 0.00 -0.61 0.00 0.00 39.78 34.93 1kqz n ASN 184 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1kqz s ASN 185 N -2.24 0.47 0.27 6.41 0.01 -1.26 -5.03 114.94 113.57 1kqz s ASN 185 Ca 0.00 -1.18 -0.04 0.00 -0.71 0.00 0.00 52.86 50.93 1kqz s ASN 185 Cb 0.00 0.95 0.53 0.00 0.41 0.00 0.00 41.25 43.14 1kqz s ASN 185 CO 0.00 -0.26 1.61 -0.65 -1.51 0.00 0.00 177.10 176.29 1kqz h PRO 186 N 7.27 0.07 0.00 -0.60 0.11 -1.95 -2.56 132.00 134.35 1kqz h PRO 186 Ca 0.02 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1kqz h PRO 186 Cb 1.09 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1kqz h PRO 186 CO 0.19 0.05 -0.01 -1.00 -0.21 0.00 0.00 178.00 177.03 1kqz h PRO 187 N 0.07 0.00 0.00 1.05 0.13 -1.99 -3.28 132.00 127.99 1kqz h PRO 187 Ca 0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.58 1kqz h PRO 187 Cb 0.87 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 1kqz h PRO 187 CO -0.76 0.01 -0.41 0.00 -0.23 0.00 0.00 178.00 176.60 1kqz s GLN 189 N -1.03 2.25 0.24 0.00 -2.07 -1.04 -4.07 119.66 113.94 1kqz s GLN 189 Ca 0.15 -2.08 -0.29 0.00 -1.82 0.00 0.00 55.36 51.32 1kqz s GLN 189 Cb 0.15 -1.98 -0.09 0.00 -1.09 0.00 0.00 33.01 30.00 1kqz s GLN 189 CO -0.01 -0.53 0.92 -0.47 -1.32 0.00 0.00 175.29 173.88 1kqz s TYR 190 N -2.78 3.95 -0.02 9.60 5.04 -1.26 -4.08 117.35 127.81 1kqz s TYR 190 Ca 0.29 1.87 0.02 0.00 -2.44 0.00 0.00 57.07 56.81 1kqz s TYR 190 Cb -0.01 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.35 1kqz s TYR 190 CO 0.18 0.44 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.63 1kqz s SER 191 N -1.22 1.07 -0.34 4.32 0.01 -1.04 -4.47 113.70 112.03 1kqz s SER 191 Ca 0.41 -0.16 -0.34 0.00 1.31 0.00 0.00 55.95 57.17 1kqz s SER 191 Cb -0.25 -0.26 -0.15 0.00 0.21 0.00 0.00 66.02 65.58 1kqz s SER 191 CO 0.31 0.06 1.14 -1.20 0.41 0.00 0.00 173.24 173.96 1kqz n SER 192 N 3.23 0.83 0.00 2.44 7.64 -1.26 0.14 113.62 126.64 1kqz n SER 192 Ca -0.17 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1kqz n SER 192 Cb 0.55 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1kqz n SER 192 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kqz n GLY 193 N 2.81 1.01 2.89 0.23 0.00 -1.26 -4.97 105.19 105.90 1kqz n GLY 193 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1kqz n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kqz s ASN 194 N -2.88 3.65 0.00 1.61 2.47 0.37 -4.93 114.94 115.23 1kqz s ASN 194 Ca 0.00 -1.12 0.14 0.00 0.42 0.00 0.00 52.86 52.30 1kqz s ASN 194 Cb 0.00 -1.04 0.13 0.00 -1.45 0.00 0.00 41.25 38.89 1kqz s ASN 194 CO 0.00 -0.26 0.98 2.30 -3.72 0.00 0.00 177.10 176.40 1kqz n ILE 195 N 4.76 0.07 0.04 -5.21 -5.35 -1.26 -2.49 119.36 109.92 1kqz n ILE 195 Ca -0.11 -0.54 -0.11 0.00 -0.27 0.00 0.00 62.75 61.72 1kqz n ILE 195 Cb 0.45 1.24 -0.06 0.00 -1.74 0.00 0.00 39.64 39.52 1kqz n ILE 195 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1kqz h ASN 196 N 2.77 -0.13 -0.90 7.28 2.35 -1.93 -1.96 115.58 123.07 1kqz h ASN 196 Ca 0.00 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1kqz h ASN 196 Cb 0.61 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.98 1kqz h ASN 196 CO 0.00 -0.07 0.59 0.78 -1.65 0.00 0.00 177.43 177.08 1kqz h ASN 197 N -0.08 0.99 -0.21 5.81 2.35 -1.84 0.19 115.58 122.79 1kqz h ASN 197 Ca 0.02 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1kqz h ASN 197 Cb 0.10 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.25 1kqz h ASN 197 CO -0.05 0.69 -0.62 -0.29 -1.65 0.00 0.00 177.43 175.51 1kqz h ILE 198 N 1.16 1.29 -0.51 2.81 2.10 -1.68 -2.09 117.51 120.58 1kqz h ILE 198 Ca 0.35 -1.82 -0.10 0.00 1.08 0.00 0.00 64.86 64.38 1kqz h ILE 198 Cb -0.04 1.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.50 1kqz h ILE 198 CO -0.10 0.58 -0.06 0.40 -1.08 0.00 0.00 178.15 177.89 1kqz h ILE 199 N 0.54 1.27 -0.82 2.19 1.08 -1.15 -0.28 117.51 120.34 1kqz h ILE 199 Ca -0.02 -1.18 -0.02 0.00 -0.39 0.00 0.00 64.86 63.25 1kqz h ILE 199 Cb 1.24 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 1kqz h ILE 199 CO 0.13 0.41 0.43 -1.13 -0.69 0.00 0.00 178.15 177.30 1kqz h ASN 200 N 0.81 1.04 -0.30 1.72 -1.24 -0.96 -1.67 115.58 114.97 1kqz h ASN 200 Ca 0.14 -0.11 -0.07 0.00 0.71 0.00 0.00 56.30 56.96 1kqz h ASN 200 Cb 0.60 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1kqz h ASN 200 CO 0.04 0.86 -0.10 -1.28 -1.29 0.00 0.00 177.43 175.65 1kqz h SER 201 N 1.14 0.61 -0.66 1.15 0.87 -1.13 -2.83 113.55 112.70 1kqz h SER 201 Ca 0.28 -0.38 0.07 0.00 -1.23 0.00 0.00 61.79 60.53 1kqz h SER 201 Cb 0.06 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 1kqz h SER 201 CO -0.04 0.85 0.34 -0.25 -0.53 0.00 0.00 176.83 177.21 1kqz h TRP 202 N 0.36 0.62 0.00 2.24 2.91 -0.72 -1.23 115.95 120.13 1kqz h TRP 202 Ca 0.07 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 1kqz h TRP 202 Cb 0.60 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 1kqz h TRP 202 CO 0.05 0.27 -0.26 -0.91 -1.03 0.00 0.00 178.44 176.56 1kqz h ASN 203 N 0.62 0.00 -0.14 2.65 2.35 -1.25 -0.86 115.58 118.94 1kqz h ASN 203 Ca 0.31 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.90 1kqz h ASN 203 Cb 0.26 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1kqz h ASN 203 CO -0.22 0.26 -0.53 -0.09 -1.65 0.00 0.00 177.43 175.20 1kqz h ARG 204 N 0.00 0.61 -0.22 0.81 9.65 -1.01 -3.06 114.38 121.16 1kqz h ARG 204 Ca -0.00 -0.47 -0.07 0.00 -1.10 0.00 0.00 59.98 58.35 1kqz h ARG 204 Cb 0.50 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1kqz h ARG 204 CO 0.03 1.09 -0.11 -1.49 2.80 0.00 0.00 179.97 182.29 1kqz h TRP 205 N 0.27 0.55 0.00 2.20 4.06 -0.93 -1.94 115.95 120.15 1kqz h TRP 205 Ca -0.03 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.79 1kqz h TRP 205 Cb 1.16 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1kqz h TRP 205 CO 0.10 0.76 0.00 0.25 -3.56 0.00 0.00 178.44 175.99 1kqz n THR 206 N -4.52 0.86 0.34 1.49 -2.24 -0.36 -2.91 114.28 106.94 1kqz n THR 206 Ca -0.04 0.24 0.04 0.00 -2.27 0.00 0.00 64.05 62.01 1kqz n THR 206 Cb 0.34 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 67.42 1kqz n THR 206 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1kqz n THR 207 N -2.10 0.00 -0.04 4.28 -2.24 -1.16 -4.72 114.28 108.31 1kqz n THR 207 Ca 0.02 -0.39 0.01 0.00 -2.27 0.00 0.00 64.05 61.42 1kqz n THR 207 Cb 0.22 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 1kqz n THR 207 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kqz n SER 208 N -0.57 1.57 -4.46 3.42 7.64 -0.74 -5.01 113.62 115.48 1kqz n SER 208 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 1kqz n SER 208 Cb 0.15 1.29 -0.12 0.00 -1.01 0.00 0.00 64.21 64.51 1kqz n SER 208 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1kqz s ILE 209 N -2.71 2.75 -0.70 0.44 -4.36 -1.17 -5.07 121.20 110.38 1kqz s ILE 209 Ca -0.06 -1.33 -0.16 0.00 -0.26 0.00 0.00 60.65 58.83 1kqz s ILE 209 Cb 0.07 -2.19 0.16 0.00 1.25 0.00 0.00 42.46 41.74 1kqz s ILE 209 CO 0.60 0.24 0.71 0.21 0.24 0.00 0.00 174.94 176.94 1kqz s ASN 210 N -1.70 6.45 0.18 4.36 2.47 -1.26 -4.92 114.94 120.51 1kqz s ASN 210 Ca 0.16 -2.08 0.00 0.00 0.42 0.00 0.00 52.86 51.36 1kqz s ASN 210 Cb -0.10 -2.25 -0.04 0.00 -1.45 0.00 0.00 41.25 37.40 1kqz s ASN 210 CO 0.07 -0.83 0.05 0.00 -3.72 0.00 0.00 177.10 172.67 1kqz s ALA 211 N 1.41 1.26 0.03 1.71 0.00 -1.26 -4.21 121.76 120.69 1kqz s ALA 211 Ca 0.13 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.29 1kqz s ALA 211 Cb -0.19 0.86 -0.10 0.00 0.00 0.00 0.00 23.12 23.69 1kqz s ALA 211 CO -0.02 -0.43 1.24 0.78 0.00 0.00 0.00 175.76 177.33 1kqz h GLY 212 N 2.67 -0.67 -4.85 0.00 0.00 -1.00 -3.46 103.07 95.75 1kqz h GLY 212 Ca -0.36 0.25 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 1kqz h GLY 212 CO 0.60 -0.24 -0.68 0.54 0.00 0.00 0.00 176.54 176.75 1kqz s LYS 213 N -4.36 0.34 -0.08 4.80 -0.14 -0.32 -4.90 119.74 115.08 1kqz s LYS 213 Ca -0.09 -0.63 0.03 0.00 -1.36 0.00 0.00 55.97 53.91 1kqz s LYS 213 Cb 0.01 0.12 -0.02 0.00 -1.68 0.00 0.00 37.83 36.27 1kqz s LYS 213 CO 0.28 -0.06 -0.17 0.42 -0.76 0.00 0.00 175.35 175.06 1kqz s ILE 214 N -1.61 2.72 0.11 2.17 1.01 0.17 -1.12 121.20 124.64 1kqz s ILE 214 Ca -0.14 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.77 1kqz s ILE 214 Cb -0.09 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1kqz s ILE 214 CO -0.01 0.56 -0.13 -0.36 0.00 0.00 0.00 174.94 175.00 1kqz s PHE 215 N -0.15 2.66 -0.53 3.97 0.40 0.62 -0.85 117.98 124.11 1kqz s PHE 215 Ca -0.02 -0.20 -0.24 0.00 -0.60 0.00 0.00 56.93 55.88 1kqz s PHE 215 Cb -0.14 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.04 1kqz s PHE 215 CO 0.04 0.42 0.89 -1.17 0.70 0.00 0.00 175.22 176.09 1kqz s LEU 216 N -2.21 4.20 -0.08 -0.37 2.96 -0.62 -2.22 118.68 120.33 1kqz s LEU 216 Ca 0.20 -0.34 -0.24 0.00 -0.22 0.00 0.00 54.13 53.53 1kqz s LEU 216 Cb -0.11 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 1kqz s LEU 216 CO 0.13 -1.15 0.75 -0.83 -1.32 0.00 0.00 176.35 173.93 1kqz s GLY 217 N 2.70 2.55 0.10 7.98 0.00 0.92 -1.10 107.32 120.47 1kqz s GLY 217 Ca 0.29 0.15 -0.03 0.00 0.00 0.00 0.00 44.72 45.14 1kqz s GLY 217 CO 0.19 1.33 0.07 1.08 0.00 0.00 0.00 173.10 175.77 1kqz s LEU 218 N 1.08 1.88 0.15 0.66 1.43 0.07 -1.33 118.68 122.62 1kqz s LEU 218 Ca 0.39 -1.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.20 1kqz s LEU 218 Cb -0.18 0.47 -0.07 0.00 0.03 0.00 0.00 46.19 46.44 1kqz s LEU 218 CO 0.18 -0.70 0.84 -2.84 0.23 0.00 0.00 176.35 174.06 1kqz s PRO 219 N -3.97 4.64 0.16 1.29 0.02 -1.26 -1.73 135.00 134.15 1kqz s PRO 219 Ca 0.15 1.26 0.25 0.00 0.02 0.00 0.00 61.00 62.68 1kqz s PRO 219 Cb 0.07 -3.31 0.92 0.00 0.02 0.00 0.00 34.50 32.20 1kqz s PRO 219 CO -0.04 0.43 1.76 0.00 -0.33 0.00 0.00 177.00 178.82 1kqz n ALA 220 N 2.05 2.07 -3.35 -1.55 0.00 -0.47 -4.69 120.51 114.57 1kqz n ALA 220 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1kqz n ALA 220 Cb 0.49 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1kqz n ALA 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kqz s ALA 221 N -3.13 -1.48 0.52 0.00 0.00 -1.26 -4.53 121.76 111.88 1kqz s ALA 221 Ca 0.09 0.48 0.23 0.00 0.00 0.00 0.00 51.96 52.76 1kqz s ALA 221 Cb 0.13 0.74 1.33 0.00 0.00 0.00 0.00 23.12 25.32 1kqz s ALA 221 CO 0.50 -0.69 2.01 -1.35 0.00 0.00 0.00 175.76 176.23 1kqz h PRO 222 N 2.22 0.05 0.00 0.00 0.11 -1.92 -0.57 132.00 131.88 1kqz h PRO 222 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1kqz h PRO 222 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1kqz h PRO 222 CO 0.40 0.03 -0.20 0.39 -0.21 0.00 0.00 178.00 178.41 1kqz n GLU 223 N -4.41 0.02 0.15 1.05 4.71 -1.26 -3.76 120.64 117.14 1kqz n GLU 223 Ca 0.08 0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.37 1kqz n GLU 223 Cb 0.51 -1.52 0.47 0.00 -1.01 0.00 0.00 31.44 29.88 1kqz n GLU 223 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1kqz h ALA 224 N 2.96 1.00 -2.80 0.62 0.00 -1.41 -3.46 119.26 116.17 1kqz h ALA 224 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1kqz h ALA 224 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1kqz h ALA 224 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.11 1kqz s ALA 225 N -3.28 -0.29 0.25 0.00 0.00 -1.25 -4.93 121.76 112.26 1kqz s ALA 225 Ca 0.06 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.33 1kqz s ALA 225 Cb 0.10 1.00 0.28 0.00 0.00 0.00 0.00 23.12 24.50 1kqz s ALA 225 CO 0.50 -0.80 1.57 0.78 0.00 0.00 0.00 175.76 177.80 1kqz h GLY 226 N 2.30 0.03 -3.03 0.00 0.00 -1.89 -3.48 103.07 97.02 1kqz h GLY 226 Ca -0.28 -0.05 0.14 0.00 0.00 0.00 0.00 47.33 47.15 1kqz h GLY 226 CO 0.38 0.04 0.51 -1.35 0.00 0.00 0.00 176.54 176.13 1kqz s SER 227 N -6.84 -0.29 0.00 0.19 1.04 -1.26 -5.02 113.70 101.52 1kqz s SER 227 Ca -0.01 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1kqz s SER 227 Cb 0.12 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1kqz s SER 227 CO 0.77 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1kqz n GLY 228 N -0.32 0.68 3.76 7.32 0.00 -1.26 -2.02 105.19 113.35 1kqz n GLY 228 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1kqz n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kqz s TYR 229 N -2.00 2.83 -0.20 1.61 5.04 -1.26 -4.47 117.35 118.91 1kqz s TYR 229 Ca 0.00 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 55.69 1kqz s TYR 229 Cb 0.00 -3.92 0.03 0.00 0.35 0.00 0.00 41.96 38.41 1kqz s TYR 229 CO 0.00 -2.89 -0.17 0.08 -1.34 0.00 0.00 175.55 171.22 1kqz s VAL 230 N -0.47 2.17 0.40 3.14 1.01 -1.26 -4.92 120.40 120.47 1kqz s VAL 230 Ca 0.57 -1.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1kqz s VAL 230 Cb -0.44 -1.99 -0.11 0.00 0.00 0.00 0.00 36.38 33.84 1kqz s VAL 230 CO 0.51 0.42 1.22 -2.65 0.00 0.00 0.00 175.10 174.60 1kqz n PRO 231 N 4.60 1.85 -0.30 2.72 -0.02 -1.26 -4.77 135.00 137.82 1kqz n PRO 231 Ca -0.19 0.66 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 1kqz n PRO 231 Cb 0.48 -2.30 0.28 0.00 -0.02 0.00 0.00 33.50 31.95 1kqz n PRO 231 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1kqz h PRO 232 N 2.08 0.46 -0.52 0.52 0.11 -1.99 -1.44 132.00 131.23 1kqz h PRO 232 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1kqz h PRO 232 Cb 1.30 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1kqz h PRO 232 CO 0.60 0.30 0.10 0.38 -0.21 0.00 0.00 178.00 179.17 1kqz h ASP 233 N 0.47 0.76 -0.31 -2.05 2.03 -1.97 -1.55 116.42 113.80 1kqz h ASP 233 Ca 0.53 -0.14 -0.12 0.00 -0.73 0.00 0.00 57.03 56.57 1kqz h ASP 233 Cb 0.94 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.24 1kqz h ASP 233 CO -0.48 0.76 -0.28 0.58 -1.03 0.00 0.00 179.24 178.80 1kqz h VAL 234 N 0.77 1.29 -0.08 4.15 2.07 -1.64 -1.88 116.25 120.94 1kqz h VAL 234 Ca 0.17 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1kqz h VAL 234 Cb 0.33 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1kqz h VAL 234 CO 0.00 0.46 0.04 0.25 0.02 0.00 0.00 177.57 178.35 1kqz h LEU 235 N 0.50 0.07 -0.34 2.57 5.85 -1.17 -0.63 115.31 122.17 1kqz h LEU 235 Ca 0.05 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1kqz h LEU 235 Cb 0.84 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1kqz h LEU 235 CO 0.07 0.05 0.02 0.40 -0.34 0.00 0.00 178.44 178.65 1kqz h ILE 236 N 0.09 1.25 0.00 4.05 2.04 -1.28 0.78 117.51 124.44 1kqz h ILE 236 Ca 0.03 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1kqz h ILE 236 Cb -0.00 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1kqz h ILE 236 CO -0.02 0.30 -1.06 -1.54 0.00 0.00 0.00 178.15 175.83 1kqz n SER 237 N -4.55 0.66 0.00 1.72 3.41 -0.71 -4.37 113.62 109.78 1kqz n SER 237 Ca -0.02 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1kqz n SER 237 Cb 0.25 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 1kqz n SER 237 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kqz n ARG 238 N -2.34 0.72 -0.10 4.33 1.74 -0.26 -4.81 116.66 115.93 1kqz n ARG 238 Ca 0.01 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1kqz n ARG 238 Cb 0.50 -0.96 -0.11 0.00 -1.02 0.00 0.00 32.46 30.87 1kqz n ARG 238 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1kqz n ILE 239 N -2.31 1.55 -0.30 0.55 5.41 -0.98 -4.39 119.36 118.88 1kqz n ILE 239 Ca 0.00 -0.14 -0.03 0.00 1.00 0.00 0.00 62.75 63.58 1kqz n ILE 239 Cb 0.46 -1.99 0.09 0.00 -0.71 0.00 0.00 39.64 37.49 1kqz n ILE 239 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1kqz h LEU 240 N -0.91 0.92 -2.08 1.39 3.38 -1.09 -2.23 115.31 114.70 1kqz h LEU 240 Ca -0.42 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.64 1kqz h LEU 240 Cb 1.42 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1kqz h LEU 240 CO -0.22 0.65 0.30 -0.65 0.09 0.00 0.00 178.44 178.61 1kqz h PRO 241 N 1.08 0.00 0.00 1.13 0.11 -1.79 -1.26 132.00 131.28 1kqz h PRO 241 Ca 0.31 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.30 1kqz h PRO 241 Cb -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1kqz h PRO 241 CO -0.09 0.00 -0.76 0.93 -0.21 0.00 0.00 178.00 177.88 1kqz h GLU 242 N 0.00 0.00 0.00 1.05 4.39 -1.63 -3.40 114.58 114.99 1kqz h GLU 242 Ca 0.16 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 1kqz h GLU 242 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1kqz h GLU 242 CO -0.00 0.73 -0.17 -0.84 -1.16 0.00 0.00 179.01 177.56 1kqz h ILE 243 N -1.00 0.46 0.00 3.13 3.07 -1.29 -2.92 117.51 118.97 1kqz h ILE 243 Ca -0.18 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.29 1kqz h ILE 243 Cb 0.98 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 1kqz h ILE 243 CO -0.11 0.17 0.00 0.29 -1.05 0.00 0.00 178.15 177.45 1kqz n LYS 244 N -3.37 0.04 0.21 0.16 5.02 -0.49 -2.78 118.16 116.95 1kqz n LYS 244 Ca -0.00 0.16 0.09 0.00 -2.02 0.00 0.00 58.31 56.54 1kqz n LYS 244 Cb 0.38 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.19 1kqz n LYS 244 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1kqz h LYS 245 N 0.00 0.00 -6.63 1.97 1.57 -1.72 -3.45 116.57 108.31 1kqz h LYS 245 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1kqz h LYS 245 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.65 1kqz h LYS 245 CO 0.00 0.22 0.60 0.45 -0.57 0.00 0.00 179.45 180.14 1kqz s SER 246 N -6.20 7.01 0.13 0.86 0.15 -1.12 -4.90 113.70 109.63 1kqz s SER 246 Ca 0.03 2.26 0.17 0.00 0.70 0.00 0.00 55.95 59.11 1kqz s SER 246 Cb 0.08 -2.60 0.74 0.00 -1.71 0.00 0.00 66.02 62.53 1kqz s SER 246 CO 0.66 -0.45 1.52 -0.81 1.20 0.00 0.00 173.24 175.36 1kqz n PRO 247 N 2.87 0.09 0.00 5.44 -0.04 -1.26 -2.07 135.00 140.03 1kqz n PRO 247 Ca 0.06 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1kqz n PRO 247 Cb 0.44 -1.69 0.22 0.00 -0.04 0.00 0.00 33.50 32.44 1kqz n PRO 247 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kqz n LYS 248 N -1.86 0.58 -1.69 0.54 5.02 -1.26 -4.93 118.16 114.57 1kqz n LYS 248 Ca 0.02 -0.39 -0.44 0.00 -2.02 0.00 0.00 58.31 55.48 1kqz n LYS 248 Cb 0.16 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1kqz n LYS 248 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1kqz n TYR 249 N -0.87 2.49 -0.02 2.13 9.36 -0.88 -0.66 117.16 128.72 1kqz n TYR 249 Ca 0.09 0.05 -0.00 0.00 3.32 0.00 0.00 57.90 61.36 1kqz n TYR 249 Cb 0.36 -2.65 -0.06 0.00 -0.63 0.00 0.00 39.34 36.37 1kqz n TYR 249 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1kqz n GLY 250 N 3.92 -0.36 0.00 2.98 0.00 -0.03 -4.77 105.19 106.93 1kqz n GLY 250 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1kqz n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kqz n GLY 251 N 2.31 0.34 3.23 -0.02 0.00 -1.25 -2.17 105.19 107.62 1kqz n GLY 251 Ca -0.07 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 1kqz n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kqz s VAL 252 N -4.00 1.54 0.01 1.61 1.01 -0.73 -1.59 120.40 118.25 1kqz s VAL 252 Ca 0.00 -1.17 0.06 0.00 0.00 0.00 0.00 61.98 60.88 1kqz s VAL 252 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1kqz s VAL 252 CO 0.00 0.15 -0.18 -0.32 0.00 0.00 0.00 175.10 174.75 1kqz s MET 253 N -1.20 2.17 -0.02 2.72 0.00 -0.26 -0.54 119.30 122.17 1kqz s MET 253 Ca 0.06 -0.91 0.03 0.00 0.00 0.00 0.00 55.69 54.87 1kqz s MET 253 Cb -0.09 -2.22 -0.00 0.00 0.00 0.00 0.00 34.83 32.53 1kqz s MET 253 CO 0.02 0.56 -0.09 -0.51 0.00 0.00 0.00 175.02 175.00 1kqz s LEU 254 N -1.19 1.89 -0.28 4.11 1.43 -0.22 -0.75 118.68 123.67 1kqz s LEU 254 Ca 0.13 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1kqz s LEU 254 Cb -0.10 -0.52 0.05 0.00 0.03 0.00 0.00 46.19 45.64 1kqz s LEU 254 CO 0.04 0.09 -0.05 0.86 0.23 0.00 0.00 176.35 177.51 1kqz s TRP 255 N 0.00 3.22 0.01 0.29 -0.11 -0.70 -3.01 118.94 118.64 1kqz s TRP 255 Ca 0.00 -1.96 0.00 0.00 1.22 0.00 0.00 56.10 55.36 1kqz s TRP 255 Cb -0.06 -2.04 -0.00 0.00 -1.50 0.00 0.00 33.47 29.87 1kqz s TRP 255 CO 0.00 -0.82 0.01 -1.13 -4.62 0.00 0.00 176.95 170.39 1kqz n SER 256 N 4.57 -0.02 -0.05 5.86 3.41 -1.26 -1.37 113.62 124.75 1kqz n SER 256 Ca -0.14 -1.04 -0.08 0.00 -0.26 0.00 0.00 58.87 57.35 1kqz n SER 256 Cb 0.44 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 1kqz n SER 256 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1kqz h LYS 257 N 0.00 -0.18 -0.42 4.33 1.63 -1.59 0.47 116.57 120.81 1kqz h LYS 257 Ca -0.01 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 1kqz h LYS 257 Cb 0.02 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 31.60 1kqz h LYS 257 CO 0.01 -0.12 -0.21 0.35 -3.45 0.00 0.00 179.45 176.03 1kqz h PHE 258 N -0.18 -0.54 0.00 1.91 3.57 -1.86 -1.68 116.94 118.16 1kqz h PHE 258 Ca 0.14 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1kqz h PHE 258 Cb 0.40 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1kqz h PHE 258 CO -0.36 -0.29 -0.43 1.88 -2.23 0.00 0.00 178.31 176.88 1kqz h TYR 259 N -0.13 0.00 -0.61 0.41 0.05 -1.82 -3.05 116.97 111.82 1kqz h TYR 259 Ca 0.20 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 1kqz h TYR 259 Cb 0.45 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1kqz h TYR 259 CO -0.46 0.43 0.07 0.22 -1.05 0.00 0.00 178.16 177.37 1kqz h ASP 260 N 0.00 0.96 -0.14 3.88 3.58 -0.03 -1.15 116.42 123.53 1kqz h ASP 260 Ca -0.00 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 1kqz h ASP 260 Cb 1.02 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1kqz h ASP 260 CO 0.06 0.98 0.03 0.44 -2.88 0.00 0.00 179.24 177.87 1kqz h ASP 261 N 0.94 0.22 -0.59 2.28 3.32 -1.28 0.57 116.42 121.87 1kqz h ASP 261 Ca 0.18 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1kqz h ASP 261 Cb 0.45 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1kqz h ASP 261 CO 0.02 0.40 0.17 0.11 -1.72 0.00 0.00 179.24 178.21 1kqz h LYS 262 N 0.03 0.97 0.00 3.56 1.57 -1.43 -3.17 116.57 118.09 1kqz h LYS 262 Ca 0.04 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1kqz h LYS 262 Cb 0.27 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1kqz h LYS 262 CO 0.00 0.85 -1.04 -1.71 -0.57 0.00 0.00 179.45 176.98 1kqz n ASN 263 N -4.26 0.80 -3.73 0.86 5.15 -0.45 -4.99 115.26 108.65 1kqz n ASN 263 Ca 0.05 -0.73 -0.27 0.00 -0.60 0.00 0.00 54.58 53.03 1kqz n ASN 263 Cb 0.23 0.98 0.05 0.00 -0.53 0.00 0.00 39.78 40.51 1kqz n ASN 263 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kqz n GLY 264 N 1.46 -0.52 0.26 8.20 0.00 0.20 -4.93 105.19 109.87 1kqz n GLY 264 Ca 0.03 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1kqz n GLY 264 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1kqz h TYR 265 N -2.25 -0.56 -0.27 1.61 3.20 -1.77 -2.94 116.97 113.98 1kqz h TYR 265 Ca -0.57 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.29 1kqz h TYR 265 Cb 1.37 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 1kqz h TYR 265 CO 0.55 -0.23 0.18 0.66 -1.64 0.00 0.00 178.16 177.67 1kqz h SER 266 N -0.97 0.31 0.03 -2.11 4.64 -1.92 -1.06 113.55 112.47 1kqz h SER 266 Ca -0.06 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1kqz h SER 266 Cb 0.57 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1kqz h SER 266 CO 0.10 0.23 -0.14 0.28 -0.87 0.00 0.00 176.83 176.43 1kqz h SER 267 N 0.37 0.22 1.16 4.97 0.02 -1.90 0.15 113.55 118.53 1kqz h SER 267 Ca 0.10 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 1kqz h SER 267 Cb -0.04 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1kqz h SER 267 CO -0.02 0.39 -0.88 0.28 -1.14 0.00 0.00 176.83 175.46 1kqz h SER 268 N 0.22 0.00 -0.00 3.07 0.02 -1.03 -3.38 113.55 112.45 1kqz h SER 268 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1kqz h SER 268 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1kqz h SER 268 CO 0.02 0.65 -0.37 2.30 -1.14 0.00 0.00 176.83 178.30 1kqz n ILE 269 N -3.17 0.00 -0.39 3.27 -5.35 -0.91 -4.83 119.36 107.98 1kqz n ILE 269 Ca -0.02 -0.31 -0.08 0.00 -0.27 0.00 0.00 62.75 62.07 1kqz n ILE 269 Cb 0.82 1.01 -0.05 0.00 -1.74 0.00 0.00 39.64 39.68 1kqz n ILE 269 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1kqz h LEU 270 N 0.08 -1.89 -1.77 7.28 5.85 -1.15 -0.55 115.31 123.16 1kqz h LEU 270 Ca 0.00 0.32 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1kqz h LEU 270 Cb 0.20 0.88 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1kqz h LEU 270 CO 0.00 -0.26 0.00 0.44 -0.34 0.00 0.00 178.44 178.28 1kqz h ASP 271 N -0.02 0.00 0.73 1.25 3.32 -1.88 -2.71 116.42 117.12 1kqz h ASP 271 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1kqz h ASP 271 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1kqz h ASP 271 CO -0.94 0.00 -0.87 -1.20 -1.72 0.00 0.00 179.24 174.50 1kqz n SER 272 N -2.78 0.69 0.00 6.45 7.64 -0.24 -5.08 113.62 120.30 1kqz n SER 272 Ca -0.01 0.06 0.12 0.00 1.01 0.00 0.00 58.87 60.05 1kqz n SER 272 Cb 0.18 0.48 0.69 0.00 -1.01 0.00 0.00 64.21 64.54 1kqz n SER 272 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55