#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qrr s ARG 3 N 0.00 4.04 -0.11 1.97 0.52 -1.26 -0.83 118.95 123.27 1qrr s ARG 3 Ca 0.00 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 1qrr s ARG 3 Cb 0.00 -3.46 0.01 0.00 0.52 0.00 0.00 34.95 32.01 1qrr s ARG 3 CO 0.00 0.10 -0.22 0.08 0.02 0.00 0.00 175.30 175.28 1qrr s VAL 4 N 0.92 1.96 -0.32 3.52 1.01 0.77 0.07 120.40 128.32 1qrr s VAL 4 Ca 0.07 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1qrr s VAL 4 Cb -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1qrr s VAL 4 CO 0.03 0.53 0.26 -0.32 0.00 0.00 0.00 175.10 175.61 1qrr s MET 5 N 0.57 3.67 -0.59 2.72 1.75 -0.21 -1.93 119.30 125.28 1qrr s MET 5 Ca -0.14 -0.46 -0.13 0.00 -1.25 0.00 0.00 55.69 53.71 1qrr s MET 5 Cb -0.17 -3.76 0.15 0.00 2.84 0.00 0.00 34.83 33.89 1qrr s MET 5 CO 0.04 -0.37 0.52 0.08 -0.65 0.00 0.00 175.02 174.63 1qrr s VAL 6 N 1.82 4.98 -0.00 10.11 1.01 0.04 -0.60 120.40 137.75 1qrr s VAL 6 Ca 0.08 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 1qrr s VAL 6 Cb -0.17 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1qrr s VAL 6 CO 0.11 -0.88 1.08 -0.63 0.00 0.00 0.00 175.10 174.77 1qrr s ILE 7 N 1.16 4.53 0.00 2.22 1.01 -0.10 -1.73 121.20 128.29 1qrr s ILE 7 Ca 0.07 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.54 1qrr s ILE 7 Cb -0.24 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1qrr s ILE 7 CO -0.01 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1qrr n GLY 8 N 3.08 0.61 0.00 6.18 0.00 0.99 -0.64 105.19 115.42 1qrr n GLY 8 Ca 0.08 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.39 1qrr n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qrr n GLY 9 N -2.48 -0.45 0.05 -0.02 0.00 -1.11 -1.62 105.19 99.56 1qrr n GLY 9 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1qrr n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qrr n ASP 10 N -1.22 0.93 -3.90 1.61 4.64 -1.26 -2.18 116.55 115.16 1qrr n ASP 10 Ca 0.04 -0.80 -0.30 0.00 -1.38 0.00 0.00 54.79 52.35 1qrr n ASP 10 Cb 0.05 0.68 0.22 0.00 -1.04 0.00 0.00 41.12 41.03 1qrr n ASP 10 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1qrr s GLY 11 N -2.94 1.73 0.07 0.27 0.00 -0.64 -4.65 107.32 101.16 1qrr s GLY 11 Ca 0.11 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.34 1qrr s GLY 11 CO 0.78 -0.34 1.45 -1.82 0.00 0.00 0.00 173.10 173.16 1qrr h TYR 12 N -2.07 -1.14 -0.17 1.90 3.20 -1.92 0.61 116.97 117.38 1qrr h TYR 12 Ca -0.44 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.22 1qrr h TYR 12 Cb 1.24 0.44 0.01 0.00 1.54 0.00 0.00 36.73 39.97 1qrr h TYR 12 CO -1.78 -0.55 -0.75 0.00 -1.64 0.00 0.00 178.16 173.44 1qrr h GLY 14 N 0.61 0.89 0.78 0.00 0.00 -1.71 -1.50 103.07 102.14 1qrr h GLY 14 Ca -0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1qrr h GLY 14 CO 0.15 0.43 0.01 -0.25 0.00 0.00 0.00 176.54 176.89 1qrr h TRP 15 N 0.77 0.16 -0.84 5.60 2.91 -0.37 0.15 115.95 124.34 1qrr h TRP 15 Ca 0.19 -0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.24 1qrr h TRP 15 Cb 0.15 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 28.70 1qrr h TRP 15 CO 0.00 0.37 0.53 0.00 -1.03 0.00 0.00 178.44 178.31 1qrr h ALA 16 N 0.77 1.13 -0.39 2.65 0.00 -1.61 -1.99 119.26 119.82 1qrr h ALA 16 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1qrr h ALA 16 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qrr h ALA 16 CO 0.00 0.30 -0.16 1.15 0.00 0.00 0.00 179.25 180.55 1qrr h THR 17 N 0.99 1.28 -0.28 0.00 2.02 -1.06 -2.11 112.91 113.75 1qrr h THR 17 Ca 0.35 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.26 1qrr h THR 17 Cb 0.10 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1qrr h THR 17 CO -0.15 0.43 0.17 0.00 0.37 0.00 0.00 175.52 176.34 1qrr h ALA 18 N 0.82 0.34 -0.27 6.16 0.00 -0.30 -0.64 119.26 125.38 1qrr h ALA 18 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qrr h ALA 18 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qrr h ALA 18 CO 0.05 -0.20 0.15 -0.07 0.00 0.00 0.00 179.25 179.17 1qrr h LEU 19 N 0.35 0.33 -0.46 0.00 3.38 -1.36 -1.45 115.31 116.10 1qrr h LEU 19 Ca 0.11 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1qrr h LEU 19 Cb -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1qrr h LEU 19 CO -0.04 0.32 0.26 -0.74 0.09 0.00 0.00 178.44 178.33 1qrr h HIS 20 N 0.32 0.49 -0.69 1.13 2.76 -1.08 0.19 115.15 118.27 1qrr h HIS 20 Ca 0.09 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.22 1qrr h HIS 20 Cb 0.06 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 1qrr h HIS 20 CO -0.03 0.28 0.18 -0.07 -1.30 0.00 0.00 177.93 176.98 1qrr h LEU 21 N 0.53 1.04 -0.43 0.26 3.38 -0.98 0.05 115.31 119.16 1qrr h LEU 21 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1qrr h LEU 21 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1qrr h LEU 21 CO -0.10 1.00 0.24 -1.28 0.09 0.00 0.00 178.44 178.40 1qrr h SER 22 N 1.04 0.53 -0.91 -0.43 0.87 -0.84 -1.47 113.55 112.35 1qrr h SER 22 Ca 0.22 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1qrr h SER 22 Cb 0.36 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1qrr h SER 22 CO 0.00 0.46 0.58 0.50 -0.53 0.00 0.00 176.83 177.84 1qrr h LYS 23 N 0.56 1.21 -0.02 2.24 3.11 -0.60 -0.40 116.57 122.68 1qrr h LYS 23 Ca 0.15 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1qrr h LYS 23 Cb 0.04 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.01 1qrr h LYS 23 CO -0.03 0.82 0.00 1.63 -2.81 0.00 0.00 179.45 179.06 1qrr n LYS 24 N -4.38 0.76 -1.57 1.90 4.76 -0.03 -4.86 118.16 114.74 1qrr n LYS 24 Ca 0.10 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.48 1qrr n LYS 24 Cb 0.03 -1.01 -0.02 0.00 -1.84 0.00 0.00 35.03 32.20 1qrr n LYS 24 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1qrr n ASN 25 N -0.48 -3.18 -4.89 4.39 3.02 -0.16 -5.04 115.26 108.93 1qrr n ASN 25 Ca 0.00 0.08 -0.29 0.00 -0.03 0.00 0.00 54.58 54.34 1qrr n ASN 25 Cb 0.01 -1.77 -0.03 0.00 -0.61 0.00 0.00 39.78 37.38 1qrr n ASN 25 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qrr s TYR 26 N -2.26 3.48 -0.12 3.10 1.51 -0.62 -4.61 117.35 117.82 1qrr s TYR 26 Ca 0.00 0.88 -0.25 0.00 -1.01 0.00 0.00 57.07 56.69 1qrr s TYR 26 Cb 0.00 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1qrr s TYR 26 CO 0.00 -0.01 0.80 -1.21 -1.11 0.00 0.00 175.55 174.02 1qrr s GLU 27 N -3.79 4.36 0.06 -0.62 0.41 -0.01 -4.40 118.70 114.71 1qrr s GLU 27 Ca 0.48 1.00 0.08 0.00 -0.41 0.00 0.00 54.97 56.12 1qrr s GLU 27 Cb -0.10 -3.53 -0.03 0.00 -1.78 0.00 0.00 34.13 28.69 1qrr s GLU 27 CO 0.32 -0.19 -0.21 0.08 -0.49 0.00 0.00 175.26 174.77 1qrr s VAL 28 N 1.65 1.69 0.07 2.63 1.01 -1.26 -0.16 120.40 126.03 1qrr s VAL 28 Ca 0.39 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1qrr s VAL 28 Cb -0.17 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1qrr s VAL 28 CO 0.15 0.14 -0.07 0.00 0.00 0.00 0.00 175.10 175.32 1qrr s ILE 30 N -2.52 2.27 -0.24 0.00 1.01 1.00 -0.78 121.20 121.95 1qrr s ILE 30 Ca 0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1qrr s ILE 30 Cb -0.02 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.59 1qrr s ILE 30 CO -0.02 0.55 -0.10 -0.69 0.00 0.00 0.00 174.94 174.68 1qrr s VAL 31 N 0.38 2.62 -0.21 2.92 1.01 -0.71 -0.61 120.40 125.80 1qrr s VAL 31 Ca -0.16 -1.09 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 1qrr s VAL 31 Cb -0.17 -2.31 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1qrr s VAL 31 CO 0.07 0.24 0.70 -0.62 0.00 0.00 0.00 175.10 175.50 1qrr s ASP 32 N 1.29 -0.72 0.00 3.32 -1.08 -0.83 -0.00 116.67 118.64 1qrr s ASP 32 Ca -0.00 1.25 0.24 0.00 -0.52 0.00 0.00 52.55 53.52 1qrr s ASP 32 Cb -0.16 1.22 0.24 0.00 -1.46 0.00 0.00 42.92 42.76 1qrr s ASP 32 CO -0.06 -0.34 1.28 -0.46 0.52 0.00 0.00 175.17 176.11 1qrr n ASN 33 N 2.24 2.75 -1.80 -0.34 6.94 -1.09 -2.23 115.26 121.72 1qrr n ASN 33 Ca -0.15 -1.89 -0.21 0.00 -0.02 0.00 0.00 54.58 52.31 1qrr n ASN 33 Cb 0.56 0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.97 1qrr n ASN 33 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1qrr n LEU 34 N 1.08 -1.63 0.26 -4.53 4.77 -1.26 -4.83 117.00 110.85 1qrr n LEU 34 Ca 0.14 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 1qrr n LEU 34 Cb 0.56 -2.87 0.68 0.00 -2.33 0.00 0.00 43.42 39.47 1qrr n LEU 34 CO 0.17 -0.84 0.98 1.62 -1.33 0.00 0.00 177.39 177.98 1qrr h VAL 35 N 0.00 0.75 -0.67 4.08 3.04 -1.98 -1.89 116.25 119.58 1qrr h VAL 35 Ca -0.44 -0.47 0.01 0.00 -1.01 0.00 0.00 66.70 64.78 1qrr h VAL 35 Cb 1.35 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 31.88 1qrr h VAL 35 CO 0.61 0.12 0.45 -0.09 -1.01 0.00 0.00 177.57 177.64 1qrr h ARG 36 N 0.00 0.88 -0.22 4.17 9.65 -2.00 -0.43 114.38 126.44 1qrr h ARG 36 Ca -0.00 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 1qrr h ARG 36 Cb 0.27 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1qrr h ARG 36 CO 0.02 0.59 -0.33 0.00 2.80 0.00 0.00 179.97 183.04 1qrr h ARG 37 N 0.91 0.46 -0.43 0.20 3.08 -1.74 -2.59 114.38 114.28 1qrr h ARG 37 Ca 0.25 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1qrr h ARG 37 Cb -0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1qrr h ARG 37 CO -0.05 0.74 -0.14 1.25 -1.07 0.00 0.00 179.97 180.70 1qrr h LEU 38 N 0.40 0.78 -0.96 3.04 5.85 -1.11 -2.64 115.31 120.66 1qrr h LEU 38 Ca 0.05 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1qrr h LEU 38 Cb 0.78 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1qrr h LEU 38 CO 0.06 0.93 0.63 -0.26 -0.34 0.00 0.00 178.44 179.47 1qrr h PHE 39 N 0.70 1.20 -0.19 1.25 0.04 -0.77 0.12 116.94 119.29 1qrr h PHE 39 Ca 0.11 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.92 1qrr h PHE 39 Cb 0.63 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1qrr h PHE 39 CO 0.03 0.73 0.10 -0.44 -0.60 0.00 0.00 178.31 178.13 1qrr h ASP 40 N 1.27 0.16 -0.36 2.17 3.45 -1.14 0.25 116.42 122.22 1qrr h ASP 40 Ca 0.36 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.81 1qrr h ASP 40 Cb -0.10 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1qrr h ASP 40 CO -0.09 0.12 0.17 0.45 -1.57 0.00 0.00 179.24 178.32 1qrr h HIS 41 N 0.21 0.52 -0.45 4.55 3.86 -1.10 0.12 115.15 122.85 1qrr h HIS 41 Ca 0.08 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1qrr h HIS 41 Cb 0.01 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1qrr h HIS 41 CO -0.09 0.44 -0.02 1.96 0.86 0.00 0.00 177.93 181.09 1qrr h GLN 42 N 0.44 0.75 -0.01 2.45 4.20 -0.48 -3.06 115.11 119.40 1qrr h GLN 42 Ca 0.12 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1qrr h GLN 42 Cb 0.12 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1qrr h GLN 42 CO -0.02 0.77 -0.35 1.28 -0.67 0.00 0.00 178.83 179.85 1qrr n LEU 43 N -4.22 1.51 -0.31 1.46 4.77 0.05 -4.96 117.00 115.31 1qrr n LEU 43 Ca 0.02 -0.50 -0.03 0.00 -0.03 0.00 0.00 56.01 55.48 1qrr n LEU 43 Cb 0.30 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1qrr n LEU 43 CO 0.41 0.28 -0.03 0.61 -1.33 0.00 0.00 177.39 177.33 1qrr n GLY 44 N 1.37 0.26 3.97 -0.72 0.00 -0.26 -5.05 105.19 104.76 1qrr n GLY 44 Ca 0.11 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 1qrr n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qrr s LEU 45 N -0.79 3.91 -0.22 0.99 1.43 0.25 -5.02 118.68 119.23 1qrr s LEU 45 Ca 0.00 -0.24 -0.26 0.00 -1.03 0.00 0.00 54.13 52.60 1qrr s LEU 45 Cb -0.00 -2.66 0.08 0.00 0.03 0.00 0.00 46.19 43.64 1qrr s LEU 45 CO 0.00 -0.41 0.78 -0.70 0.23 0.00 0.00 176.35 176.24 1qrr s GLU 46 N -4.14 0.82 0.60 1.70 2.12 -1.26 -4.46 118.70 114.07 1qrr s GLU 46 Ca 0.44 0.74 -0.18 0.00 0.36 0.00 0.00 54.97 56.33 1qrr s GLU 46 Cb -0.09 0.39 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 1qrr s GLU 46 CO 0.30 -0.14 1.19 0.45 -0.54 0.00 0.00 175.26 176.52 1qrr s SER 47 N -0.04 5.22 0.16 -1.70 0.15 -1.26 -4.74 113.70 111.50 1qrr s SER 47 Ca -0.02 2.33 -0.15 0.00 0.70 0.00 0.00 55.95 58.82 1qrr s SER 47 Cb -0.04 -2.59 0.07 0.00 -1.71 0.00 0.00 66.02 61.75 1qrr s SER 47 CO 0.02 -1.57 1.79 0.25 1.20 0.00 0.00 173.24 174.93 1qrr h LEU 48 N 0.83 0.36 -9.63 3.45 5.85 -1.16 -3.41 115.31 111.60 1qrr h LEU 48 Ca -0.50 0.01 -0.66 0.00 0.84 0.00 0.00 57.88 57.57 1qrr h LEU 48 Cb 1.29 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 1qrr h LEU 48 CO 0.55 0.25 -0.52 0.28 -0.34 0.00 0.00 178.44 178.67 1qrr s THR 49 N -6.15 5.23 0.29 1.05 -1.32 -1.26 -4.82 115.64 108.66 1qrr s THR 49 Ca -0.13 -0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.02 1qrr s THR 49 Cb 0.12 -3.33 -0.10 0.00 -1.51 0.00 0.00 72.50 67.69 1qrr s THR 49 CO 0.73 0.50 1.11 -2.16 -2.21 0.00 0.00 174.62 172.58 1qrr s PRO 50 N -1.36 4.59 0.21 7.08 0.04 -1.26 -4.72 135.00 139.58 1qrr s PRO 50 Ca 0.19 1.81 0.10 0.00 0.04 0.00 0.00 61.00 63.14 1qrr s PRO 50 Cb -0.12 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1qrr s PRO 50 CO 0.09 0.17 -0.14 0.96 0.04 0.00 0.00 177.00 178.12 1qrr s ILE 51 N -1.19 2.90 0.66 0.56 -4.36 -1.26 -4.93 121.20 113.57 1qrr s ILE 51 Ca 0.46 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.86 1qrr s ILE 51 Cb -0.32 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 40.96 1qrr s ILE 51 CO 0.41 -0.19 1.00 0.00 0.24 0.00 0.00 174.94 176.40 1qrr s ALA 52 N -1.89 3.09 0.75 2.27 0.00 -1.26 -5.04 121.76 119.68 1qrr s ALA 52 Ca 0.25 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 1qrr s ALA 52 Cb -0.08 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.30 1qrr s ALA 52 CO 0.14 -1.03 1.13 -1.54 0.00 0.00 0.00 175.76 174.46 1qrr s SER 53 N -4.36 4.40 0.37 0.00 1.04 -1.26 -4.74 113.70 109.15 1qrr s SER 53 Ca 0.57 2.03 0.04 0.00 0.48 0.00 0.00 55.95 59.07 1qrr s SER 53 Cb -0.11 -2.55 0.72 0.00 0.10 0.00 0.00 66.02 64.18 1qrr s SER 53 CO 0.48 -2.11 2.02 -0.29 0.98 0.00 0.00 173.24 174.31 1qrr h ILE 54 N -0.71 1.12 -0.44 -1.02 6.09 -1.98 0.17 117.51 120.74 1qrr h ILE 54 Ca -0.45 -0.26 -0.07 0.00 -1.37 0.00 0.00 64.86 62.71 1qrr h ILE 54 Cb 1.25 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 38.83 1qrr h ILE 54 CO 0.50 0.14 0.01 0.45 -3.07 0.00 0.00 178.15 176.18 1qrr h HIS 55 N 0.76 0.84 -0.05 2.19 3.86 -1.99 -1.48 115.15 119.28 1qrr h HIS 55 Ca 0.22 -0.14 -0.13 0.00 -1.16 0.00 0.00 60.37 59.16 1qrr h HIS 55 Cb -0.03 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1qrr h HIS 55 CO -0.00 0.82 -0.58 -0.44 0.86 0.00 0.00 177.93 178.59 1qrr h ASP 56 N 0.62 0.16 0.14 2.45 3.45 -1.76 -0.63 116.42 120.85 1qrr h ASP 56 Ca 0.13 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 1qrr h ASP 56 Cb 0.48 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1qrr h ASP 56 CO 0.02 0.70 -0.07 0.03 -1.57 0.00 0.00 179.24 178.36 1qrr h ARG 57 N 0.11 -0.18 -0.50 3.56 3.08 -0.46 -0.56 114.38 119.43 1qrr h ARG 57 Ca -0.00 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1qrr h ARG 57 Cb 1.05 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1qrr h ARG 57 CO 0.08 -0.02 -0.07 0.82 -1.07 0.00 0.00 179.97 179.71 1qrr h ILE 58 N -0.30 1.26 -0.68 2.04 2.04 -1.21 -2.26 117.51 118.41 1qrr h ILE 58 Ca -0.02 -1.16 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 1qrr h ILE 58 Cb 0.24 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1qrr h ILE 58 CO 0.03 0.40 0.16 -1.28 0.00 0.00 0.00 178.15 177.47 1qrr h SER 59 N 0.81 1.01 -0.42 1.72 0.87 -1.01 -2.11 113.55 114.43 1qrr h SER 59 Ca 0.14 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 1qrr h SER 59 Cb 0.57 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1qrr h SER 59 CO 0.03 0.98 -0.02 -0.09 -0.53 0.00 0.00 176.83 177.20 1qrr h ARG 60 N 1.02 0.75 -0.76 2.24 9.65 -0.88 -0.88 114.38 125.53 1qrr h ARG 60 Ca 0.21 -0.25 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1qrr h ARG 60 Cb 0.36 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.84 1qrr h ARG 60 CO 0.00 0.84 0.49 2.35 2.80 0.00 0.00 179.97 186.45 1qrr h TRP 61 N 0.58 0.91 -0.60 2.20 2.91 -1.23 -0.41 115.95 120.31 1qrr h TRP 61 Ca 0.12 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.07 1qrr h TRP 61 Cb 0.51 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1qrr h TRP 61 CO 0.04 0.54 0.01 -0.22 -1.03 0.00 0.00 178.44 177.78 1qrr h LYS 62 N 0.96 1.05 -0.66 2.65 3.64 -1.16 0.07 116.57 123.13 1qrr h LYS 62 Ca 0.29 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1qrr h LYS 62 Cb -0.03 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1qrr h LYS 62 CO -0.09 1.03 0.16 0.00 -2.27 0.00 0.00 179.45 178.28 1qrr h ALA 63 N 0.99 1.04 0.02 5.00 0.00 -0.58 0.73 119.26 126.46 1qrr h ALA 63 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1qrr h ALA 63 Cb 0.54 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1qrr h ALA 63 CO 0.03 0.63 -0.36 -0.07 0.00 0.00 0.00 179.25 179.48 1qrr h LEU 64 N 0.99 0.28 0.00 0.00 3.38 -0.92 -3.40 115.31 115.65 1qrr h LEU 64 Ca 0.21 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1qrr h LEU 64 Cb 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1qrr h LEU 64 CO 0.00 1.08 -1.27 0.35 0.09 0.00 0.00 178.44 178.68 1qrr n THR 65 N -4.41 0.00 -0.28 0.22 -2.24 -0.00 -4.99 114.28 102.57 1qrr n THR 65 Ca -0.10 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1qrr n THR 65 Cb 0.58 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1qrr n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qrr n GLY 66 N 1.60 1.67 3.76 3.38 0.00 0.25 -5.02 105.19 110.84 1qrr n GLY 66 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1qrr n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qrr s LYS 67 N -0.28 4.44 -0.23 1.61 1.02 -1.26 -4.94 119.74 120.10 1qrr s LYS 67 Ca 0.00 0.98 -0.07 0.00 0.02 0.00 0.00 55.97 56.91 1qrr s LYS 67 Cb 0.00 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1qrr s LYS 67 CO 0.00 0.42 0.05 0.45 -0.92 0.00 0.00 175.35 175.35 1qrr s SER 68 N -0.50 5.08 -0.32 2.83 0.15 -1.26 -3.40 113.70 116.27 1qrr s SER 68 Ca 0.35 -0.19 -0.13 0.00 0.70 0.00 0.00 55.95 56.68 1qrr s SER 68 Cb -0.21 -1.90 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1qrr s SER 68 CO 0.22 -0.00 0.26 -0.63 1.20 0.00 0.00 173.24 174.29 1qrr s ILE 69 N 1.41 5.26 0.51 6.45 1.01 -1.26 -4.67 121.20 129.90 1qrr s ILE 69 Ca 0.05 -0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.48 1qrr s ILE 69 Cb -0.15 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1qrr s ILE 69 CO 0.03 0.05 1.21 -1.61 0.00 0.00 0.00 174.94 174.62 1qrr s GLU 70 N 1.82 3.46 -0.08 2.79 0.41 -0.77 -4.84 118.70 121.50 1qrr s GLU 70 Ca 0.08 1.88 0.02 0.00 -0.41 0.00 0.00 54.97 56.54 1qrr s GLU 70 Cb -0.17 -2.27 0.01 0.00 -1.78 0.00 0.00 34.13 29.93 1qrr s GLU 70 CO 0.11 -0.83 -0.14 -1.17 -0.49 0.00 0.00 175.26 172.75 1qrr s LEU 71 N -3.36 1.69 -0.23 1.80 2.96 -1.26 -0.00 118.68 120.27 1qrr s LEU 71 Ca 0.68 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1qrr s LEU 71 Cb -0.31 -0.93 0.06 0.00 0.50 0.00 0.00 46.19 45.50 1qrr s LEU 71 CO 0.37 0.04 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.06 1qrr s TYR 72 N 0.72 2.54 -0.39 5.38 1.51 0.22 -4.96 117.35 122.37 1qrr s TYR 72 Ca -0.13 -1.83 -0.16 0.00 -1.01 0.00 0.00 57.07 53.94 1qrr s TYR 72 Cb -0.16 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 1qrr s TYR 72 CO 0.03 -0.79 0.39 0.08 -1.11 0.00 0.00 175.55 174.15 1qrr s VAL 73 N 1.35 5.14 -0.09 0.71 1.01 -1.26 -1.97 120.40 125.28 1qrr s VAL 73 Ca -0.06 -0.21 -0.32 0.00 0.00 0.00 0.00 61.98 61.38 1qrr s VAL 73 Cb -0.19 -3.93 0.14 0.00 0.00 0.00 0.00 36.38 32.40 1qrr s VAL 73 CO -0.06 -0.27 1.43 -0.83 0.00 0.00 0.00 175.10 175.37 1qrr s GLY 74 N 1.76 -0.46 -0.23 4.51 0.00 -0.95 -4.94 107.32 107.02 1qrr s GLY 74 Ca 0.11 0.84 -0.17 0.00 0.00 0.00 0.00 44.72 45.50 1qrr s GLY 74 CO 0.12 1.17 0.45 -0.35 0.00 0.00 0.00 173.10 174.50 1qrr s ASP 75 N -3.14 6.43 0.00 1.64 3.68 -1.26 -2.67 116.67 121.35 1qrr s ASP 75 Ca 0.18 0.52 0.12 0.00 2.13 0.00 0.00 52.55 55.49 1qrr s ASP 75 Cb 0.07 -2.26 0.58 0.00 -1.45 0.00 0.00 42.92 39.86 1qrr s ASP 75 CO -0.06 -0.18 1.33 2.30 0.13 0.00 0.00 175.17 178.69 1qrr n ILE 76 N 4.74 0.86 0.91 4.11 -5.35 -1.26 -0.73 119.36 122.64 1qrr n ILE 76 Ca -0.06 0.21 0.14 0.00 -0.27 0.00 0.00 62.75 62.77 1qrr n ILE 76 Cb 0.50 -1.01 0.57 0.00 -1.74 0.00 0.00 39.64 37.96 1qrr n ILE 76 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qrr s ASP 78 N -3.36 6.47 0.42 0.00 3.68 0.09 -4.92 116.67 119.06 1qrr s ASP 78 Ca 0.13 -1.99 0.12 0.00 2.13 0.00 0.00 52.55 52.94 1qrr s ASP 78 Cb 0.17 -2.29 0.97 0.00 -1.45 0.00 0.00 42.92 40.32 1qrr s ASP 78 CO 0.54 -0.92 2.00 0.15 0.13 0.00 0.00 175.17 177.06 1qrr h PHE 79 N 8.65 0.47 -0.34 -5.34 3.04 -1.83 -1.15 116.94 120.44 1qrr h PHE 79 Ca -0.06 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.93 1qrr h PHE 79 Cb 1.06 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.38 1qrr h PHE 79 CO 0.97 0.24 0.16 1.49 -2.02 0.00 0.00 178.31 179.16 1qrr h GLU 80 N 0.46 0.33 -0.23 1.11 4.81 -1.94 0.58 114.58 119.70 1qrr h GLU 80 Ca 0.25 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1qrr h GLU 80 Cb 0.39 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1qrr h GLU 80 CO -0.07 0.22 -0.04 0.35 -0.73 0.00 0.00 179.01 178.74 1qrr h PHE 81 N 0.34 0.49 -0.62 0.92 3.57 -1.65 -1.56 116.94 118.42 1qrr h PHE 81 Ca 0.15 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1qrr h PHE 81 Cb 0.07 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1qrr h PHE 81 CO -0.11 0.65 0.33 1.25 -2.23 0.00 0.00 178.31 178.21 1qrr h LEU 82 N 0.18 0.78 -0.41 0.59 5.85 -0.90 -1.11 115.31 120.30 1qrr h LEU 82 Ca 0.06 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1qrr h LEU 82 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1qrr h LEU 82 CO 0.02 0.66 0.20 0.00 -0.34 0.00 0.00 178.44 178.98 1qrr h ALA 83 N 1.15 0.53 -0.64 1.25 0.00 0.22 -0.20 119.26 121.58 1qrr h ALA 83 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1qrr h ALA 83 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1qrr h ALA 83 CO -0.03 0.09 0.25 0.93 0.00 0.00 0.00 179.25 180.49 1qrr h GLU 84 N 0.52 0.96 -0.61 0.00 4.39 -1.06 -0.79 114.58 118.00 1qrr h GLU 84 Ca 0.14 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1qrr h GLU 84 Cb 0.12 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1qrr h GLU 84 CO -0.02 0.81 0.16 0.77 -1.16 0.00 0.00 179.01 179.57 1qrr h SER 85 N 0.90 0.91 -0.27 1.42 0.02 -0.95 0.06 113.55 115.64 1qrr h SER 85 Ca 0.21 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1qrr h SER 85 Cb 0.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1qrr h SER 85 CO -0.02 0.89 0.08 0.15 -1.14 0.00 0.00 176.83 176.80 1qrr h PHE 86 N 0.88 0.44 -0.31 3.45 3.57 -0.76 -0.18 116.94 124.02 1qrr h PHE 86 Ca 0.19 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1qrr h PHE 86 Cb 0.33 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1qrr h PHE 86 CO 0.02 0.48 -0.19 0.87 -2.23 0.00 0.00 178.31 177.26 1qrr h LYS 87 N 0.28 0.58 -0.21 1.11 1.57 -1.03 0.47 116.57 119.33 1qrr h LYS 87 Ca 0.09 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1qrr h LYS 87 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1qrr h LYS 87 CO -0.00 0.74 -0.31 1.03 -0.57 0.00 0.00 179.45 180.34 1qrr h SER 88 N 0.52 0.63 0.47 0.86 0.87 -0.80 -3.35 113.55 112.75 1qrr h SER 88 Ca 0.08 -0.52 -0.30 0.00 -1.23 0.00 0.00 61.79 59.83 1qrr h SER 88 Cb 0.62 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1qrr h SER 88 CO 0.04 1.02 -1.65 0.15 -0.53 0.00 0.00 176.83 175.86 1qrr h PHE 89 N 0.25 0.16 -5.82 2.24 3.57 -0.93 -3.50 116.94 112.91 1qrr h PHE 89 Ca 0.02 -0.12 -0.22 0.00 3.53 0.00 0.00 57.97 61.18 1qrr h PHE 89 Cb 0.89 -0.01 0.05 0.00 2.79 0.00 0.00 35.95 39.67 1qrr h PHE 89 CO 0.09 1.20 -0.54 0.39 -2.23 0.00 0.00 178.31 177.22 1qrr n GLU 90 N -3.22 -1.49 -2.40 1.11 1.02 0.16 -4.95 120.64 110.87 1qrr n GLU 90 Ca -0.18 1.04 -0.34 0.00 -0.02 0.00 0.00 57.16 57.65 1qrr n GLU 90 Cb 1.04 -4.79 -0.02 0.00 -0.02 0.00 0.00 31.44 27.65 1qrr n GLU 90 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1qrr s PRO 91 N -4.23 3.59 -0.01 3.49 0.04 -1.26 -4.86 135.00 131.76 1qrr s PRO 91 Ca 0.18 1.47 0.20 0.00 0.04 0.00 0.00 61.00 62.89 1qrr s PRO 91 Cb -0.05 -2.05 -0.23 0.00 0.04 0.00 0.00 34.50 32.21 1qrr s PRO 91 CO 0.80 -0.63 0.54 -0.25 0.04 0.00 0.00 177.00 177.50 1qrr n ASP 92 N -1.15 0.29 -3.90 6.66 10.43 0.11 -4.71 116.55 124.28 1qrr n ASP 92 Ca 0.10 0.12 -0.11 0.00 2.57 0.00 0.00 54.79 57.48 1qrr n ASP 92 Cb 0.52 1.20 -0.11 0.00 1.84 0.00 0.00 41.12 44.57 1qrr n ASP 92 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1qrr s SER 93 N -5.10 0.07 -0.10 -2.24 0.01 -0.77 -1.31 113.70 104.26 1qrr s SER 93 Ca -0.06 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.00 1qrr s SER 93 Cb 0.11 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.52 1qrr s SER 93 CO 0.86 -0.27 -0.13 -0.69 0.41 0.00 0.00 173.24 173.42 1qrr s VAL 94 N -1.07 1.29 -0.26 3.43 1.01 -0.06 -1.05 120.40 123.69 1qrr s VAL 94 Ca -0.12 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1qrr s VAL 94 Cb -0.07 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1qrr s VAL 94 CO 0.00 0.40 0.06 -0.69 0.00 0.00 0.00 175.10 174.87 1qrr s VAL 95 N 1.02 4.01 -0.65 2.92 1.01 0.23 -0.13 120.40 128.82 1qrr s VAL 95 Ca -0.07 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1qrr s VAL 95 Cb -0.15 -2.95 0.16 0.00 0.00 0.00 0.00 36.38 33.44 1qrr s VAL 95 CO -0.01 0.25 0.62 -2.28 0.00 0.00 0.00 175.10 173.67 1qrr s HIS 96 N 1.55 3.40 -1.15 5.22 2.46 -0.31 -0.92 115.29 125.53 1qrr s HIS 96 Ca 0.05 -1.50 0.14 0.00 0.47 0.00 0.00 55.06 54.22 1qrr s HIS 96 Cb -0.16 -3.84 -0.04 0.00 -0.13 0.00 0.00 32.58 28.42 1qrr s HIS 96 CO 0.02 -1.04 0.74 1.19 -2.47 0.00 0.00 174.74 173.18 1qrr n PHE 97 N 4.95 0.00 -1.08 3.88 3.01 0.19 -2.86 117.46 125.54 1qrr n PHE 97 Ca -0.04 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.10 1qrr n PHE 97 Cb 0.43 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.87 1qrr n PHE 97 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qrr n GLY 98 N 1.13 3.53 3.12 1.37 0.00 -0.85 -4.70 105.19 108.80 1qrr n GLY 98 Ca 0.05 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 1qrr n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qrr s GLU 99 N 3.23 0.72 -0.35 1.61 2.02 -1.26 -4.90 118.70 119.77 1qrr s GLU 99 Ca 0.52 -1.29 -0.29 0.00 0.02 0.00 0.00 54.97 53.93 1qrr s GLU 99 Cb 0.14 0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.49 1qrr s GLU 99 CO -0.03 -0.12 1.47 -1.14 0.02 0.00 0.00 175.26 175.47 1qrr s GLN 100 N -3.93 3.63 0.00 1.61 -0.44 -1.26 -4.87 119.66 114.40 1qrr s GLN 100 Ca 0.11 1.16 0.19 0.00 -2.50 0.00 0.00 55.36 54.33 1qrr s GLN 100 Cb 0.07 -4.02 0.02 0.00 -1.64 0.00 0.00 33.01 27.44 1qrr s GLN 100 CO -0.06 -1.49 0.98 2.89 0.50 0.00 0.00 175.29 178.11 1qrr n ARG 101 N 7.93 1.54 -2.92 1.67 -4.01 -1.26 -4.95 116.66 114.65 1qrr n ARG 101 Ca 0.17 -1.03 -0.41 0.00 -1.04 0.00 0.00 57.85 55.54 1qrr n ARG 101 Cb 0.47 -1.36 -0.04 0.00 -3.04 0.00 0.00 32.46 28.49 1qrr n ARG 101 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1qrr s SER 102 N -2.06 7.04 0.01 2.89 0.15 -1.26 -4.96 113.70 115.51 1qrr s SER 102 Ca 0.17 1.26 -0.25 0.00 0.70 0.00 0.00 55.95 57.83 1qrr s SER 102 Cb 0.15 -2.46 -0.18 0.00 -1.71 0.00 0.00 66.02 61.82 1qrr s SER 102 CO 0.44 -0.27 1.38 0.00 1.20 0.00 0.00 173.24 175.99 1qrr h ALA 103 N 7.03 -0.07 -0.88 5.45 0.00 -1.94 -2.51 119.26 126.35 1qrr h ALA 103 Ca -0.36 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.46 1qrr h ALA 103 Cb 1.17 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1qrr h ALA 103 CO 0.79 -0.37 0.54 -1.35 0.00 0.00 0.00 179.25 178.86 1qrr h PRO 104 N -0.41 0.92 -0.83 0.00 0.11 -1.89 -1.93 132.00 127.97 1qrr h PRO 104 Ca -0.01 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.08 1qrr h PRO 104 Cb 0.37 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 31.22 1qrr h PRO 104 CO 0.01 0.61 0.53 -0.92 -0.21 0.00 0.00 178.00 178.02 1qrr h TYR 105 N 0.94 1.00 0.00 0.65 5.03 -1.77 -0.93 116.97 121.90 1qrr h TYR 105 Ca 0.40 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.73 1qrr h TYR 105 Cb 0.25 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1qrr h TYR 105 CO -0.03 0.57 0.00 -1.13 -1.32 0.00 0.00 178.16 176.25 1qrr n SER 106 N -4.57 0.47 -0.77 -2.11 3.41 -0.75 -2.46 113.62 106.84 1qrr n SER 106 Ca 0.10 0.63 0.07 0.00 -0.26 0.00 0.00 58.87 59.42 1qrr n SER 106 Cb 0.09 -0.73 0.16 0.00 -0.26 0.00 0.00 64.21 63.48 1qrr n SER 106 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1qrr n MET 107 N -2.04 2.39 -0.08 4.33 2.81 -0.38 -3.49 117.12 120.66 1qrr n MET 107 Ca 0.02 -2.01 -0.10 0.00 -1.81 0.00 0.00 57.70 53.80 1qrr n MET 107 Cb 0.18 -1.33 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 1qrr n MET 107 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1qrr h ILE 108 N 2.68 1.19 -2.64 2.02 2.04 -1.14 -3.43 117.51 118.23 1qrr h ILE 108 Ca 0.00 -0.59 0.13 0.00 1.00 0.00 0.00 64.86 65.39 1qrr h ILE 108 Cb 0.75 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1qrr h ILE 108 CO 0.00 0.19 0.54 -0.90 0.00 0.00 0.00 178.15 177.98 1qrr n ASP 109 N -4.76 -1.84 -0.09 1.72 5.68 -1.26 -4.30 116.55 111.69 1qrr n ASP 109 Ca -0.03 -2.03 -0.08 0.00 -0.50 0.00 0.00 54.79 52.15 1qrr n ASP 109 Cb 0.15 3.01 -0.00 0.00 -1.14 0.00 0.00 41.12 43.14 1qrr n ASP 109 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1qrr h ARG 110 N 0.00 0.31 -0.98 0.11 2.43 -0.97 -1.78 114.38 113.50 1qrr h ARG 110 Ca -0.28 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.93 1qrr h ARG 110 Cb 1.21 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 1qrr h ARG 110 CO 0.38 0.20 0.64 0.66 -1.51 0.00 0.00 179.97 180.34 1qrr h SER 111 N 0.32 1.02 0.92 -3.80 4.64 -1.86 0.67 113.55 115.46 1qrr h SER 111 Ca 0.13 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 1qrr h SER 111 Cb 0.05 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1qrr h SER 111 CO -0.10 0.67 -0.68 0.03 -0.87 0.00 0.00 176.83 175.88 1qrr h ARG 112 N 1.17 0.00 -0.18 4.77 3.08 -1.81 0.11 114.38 121.52 1qrr h ARG 112 Ca 0.42 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.32 1qrr h ARG 112 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1qrr h ARG 112 CO -0.16 0.68 -0.47 0.00 -1.07 0.00 0.00 179.97 178.96 1qrr h ALA 113 N 1.32 0.30 -0.44 0.04 0.00 -0.63 -1.23 119.26 118.62 1qrr h ALA 113 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1qrr h ALA 113 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1qrr h ALA 113 CO 0.09 0.45 -0.08 0.28 0.00 0.00 0.00 179.25 179.99 1qrr h VAL 114 N 0.30 1.27 -0.59 0.00 2.07 -0.84 -2.20 116.25 116.28 1qrr h VAL 114 Ca -0.01 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1qrr h VAL 114 Cb 1.08 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1qrr h VAL 114 CO 0.10 0.40 0.32 0.22 0.02 0.00 0.00 177.57 178.63 1qrr h TYR 115 N 0.66 0.80 -0.08 1.57 3.20 -0.75 -0.09 116.97 122.28 1qrr h TYR 115 Ca 0.11 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1qrr h TYR 115 Cb 0.60 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1qrr h TYR 115 CO 0.05 0.58 -0.02 1.15 -1.64 0.00 0.00 178.16 178.27 1qrr h THR 116 N 0.79 0.91 -0.31 1.81 2.02 -1.05 0.63 112.91 117.70 1qrr h THR 116 Ca 0.21 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.24 1qrr h THR 116 Cb 0.04 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1qrr h THR 116 CO -0.03 0.00 -0.37 1.56 0.37 0.00 0.00 175.52 177.05 1qrr h GLN 117 N -0.00 0.81 0.22 6.66 4.20 -1.25 -1.67 115.11 124.07 1qrr h GLN 117 Ca 0.04 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1qrr h GLN 117 Cb 0.07 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1qrr h GLN 117 CO -0.09 1.08 -0.10 1.25 -0.67 0.00 0.00 178.83 180.30 1qrr h HIS 118 N 0.58 -0.27 -0.27 2.96 2.76 -0.92 -0.40 115.15 119.59 1qrr h HIS 118 Ca 0.04 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1qrr h HIS 118 Cb 0.96 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.96 1qrr h HIS 118 CO 0.07 0.03 -0.03 -0.97 -1.30 0.00 0.00 177.93 175.73 1qrr h ASN 119 N -0.57 -0.18 0.28 3.26 -1.24 -0.93 -0.79 115.58 115.41 1qrr h ASN 119 Ca -0.03 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1qrr h ASN 119 Cb 0.42 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1qrr h ASN 119 CO 0.05 -0.06 -0.13 0.78 -1.29 0.00 0.00 177.43 176.78 1qrr h ASN 120 N 0.04 -0.31 -0.15 1.15 4.21 -1.32 -1.81 115.58 117.40 1qrr h ASN 120 Ca 0.13 -0.21 -0.02 0.00 1.21 0.00 0.00 56.30 57.41 1qrr h ASN 120 Cb 0.19 0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1qrr h ASN 120 CO -0.25 0.09 0.02 0.58 -1.29 0.00 0.00 177.43 176.58 1qrr h VAL 121 N -0.78 1.23 -0.36 2.81 2.07 -1.07 -2.11 116.25 118.04 1qrr h VAL 121 Ca -0.04 -0.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.58 1qrr h VAL 121 Cb 0.51 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1qrr h VAL 121 CO 0.06 0.22 -0.35 0.40 0.02 0.00 0.00 177.57 177.92 1qrr h ILE 122 N 0.02 1.28 -0.69 4.57 1.08 -1.27 -1.54 117.51 120.96 1qrr h ILE 122 Ca 0.04 -1.52 -0.01 0.00 -0.39 0.00 0.00 64.86 62.99 1qrr h ILE 122 Cb 0.33 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 1qrr h ILE 122 CO 0.00 0.50 0.39 1.23 -0.69 0.00 0.00 178.15 179.59 1qrr h GLY 123 N 0.88 1.02 1.44 5.37 0.00 -1.33 -0.41 103.07 110.04 1qrr h GLY 123 Ca 0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1qrr h GLY 123 CO 0.08 0.43 -0.22 -0.84 0.00 0.00 0.00 176.54 175.99 1qrr h THR 124 N 0.94 1.27 -0.59 4.70 2.02 -1.23 -1.63 112.91 118.39 1qrr h THR 124 Ca 0.24 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 1qrr h THR 124 Cb 0.01 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1qrr h THR 124 CO -0.04 0.42 0.21 -0.07 0.37 0.00 0.00 175.52 176.41 1qrr h LEU 125 N 0.57 0.83 -0.99 2.58 3.38 -0.80 -1.54 115.31 119.34 1qrr h LEU 125 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1qrr h LEU 125 Cb 0.69 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1qrr h LEU 125 CO 0.05 0.80 0.63 0.78 0.09 0.00 0.00 178.44 180.79 1qrr h ASN 126 N 0.82 1.15 -0.52 -0.43 2.35 -0.70 -0.86 115.58 117.38 1qrr h ASN 126 Ca 0.19 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1qrr h ASN 126 Cb 0.24 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1qrr h ASN 126 CO -0.01 0.85 0.22 0.58 -1.65 0.00 0.00 177.43 177.43 1qrr h VAL 127 N 1.34 1.21 -0.72 2.81 2.07 -0.82 -0.13 116.25 122.02 1qrr h VAL 127 Ca 0.36 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1qrr h VAL 127 Cb -0.12 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1qrr h VAL 127 CO -0.07 0.25 0.30 -0.07 0.02 0.00 0.00 177.57 177.99 1qrr h LEU 128 N 0.71 0.99 -0.81 2.57 3.38 -0.68 -1.26 115.31 120.20 1qrr h LEU 128 Ca 0.18 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1qrr h LEU 128 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1qrr h LEU 128 CO -0.02 0.88 -0.42 -0.26 0.09 0.00 0.00 178.44 178.71 1qrr h PHE 129 N 1.03 0.44 -0.44 1.13 -1.00 -0.89 -1.30 116.94 115.91 1qrr h PHE 129 Ca 0.24 -0.12 -0.13 0.00 2.81 0.00 0.00 57.97 60.77 1qrr h PHE 129 Cb 0.20 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1qrr h PHE 129 CO 0.02 0.73 -0.23 0.00 -1.61 0.00 0.00 178.31 177.22 1qrr h ALA 130 N 1.25 0.62 -0.05 2.45 0.00 -0.70 -0.39 119.26 122.44 1qrr h ALA 130 Ca 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qrr h ALA 130 Cb 0.87 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qrr h ALA 130 CO 0.07 0.61 0.02 0.82 0.00 0.00 0.00 179.25 180.77 1qrr h ILE 131 N 0.76 1.15 -0.54 0.00 2.04 -1.10 0.23 117.51 120.06 1qrr h ILE 131 Ca 0.10 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1qrr h ILE 131 Cb 0.80 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1qrr h ILE 131 CO 0.07 0.12 0.31 0.50 0.00 0.00 0.00 178.15 179.15 1qrr h LYS 132 N -0.08 0.60 0.16 2.37 3.64 -1.16 0.29 116.57 122.40 1qrr h LYS 132 Ca 0.02 -0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 59.06 1qrr h LYS 132 Cb 0.18 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1qrr h LYS 132 CO -0.00 0.40 -1.31 1.49 -2.27 0.00 0.00 179.45 177.76 1qrr h GLU 133 N 0.62 0.48 0.00 1.90 4.57 -0.96 -3.37 114.58 117.82 1qrr h GLU 133 Ca 0.22 -0.73 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1qrr h GLU 133 Cb 0.05 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1qrr h GLU 133 CO -0.11 1.34 -1.12 1.19 -1.18 0.00 0.00 179.01 179.13 1qrr n PHE 134 N -3.69 0.00 -2.71 0.92 3.72 0.81 -4.87 117.46 111.64 1qrr n PHE 134 Ca -0.13 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.21 1qrr n PHE 134 Cb 1.03 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 39.48 1qrr n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qrr n GLY 135 N 1.58 -0.74 0.35 1.37 0.00 0.06 -5.00 105.19 102.80 1qrr n GLY 135 Ca -0.00 0.52 0.16 0.00 0.00 0.00 0.00 46.02 46.70 1qrr n GLY 135 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1qrr h GLU 136 N 3.60 0.00 -0.01 1.61 4.11 -0.68 0.16 114.58 123.37 1qrr h GLU 136 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1qrr h GLU 136 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1qrr h GLU 136 CO 0.10 0.00 -0.19 0.39 0.07 0.00 0.00 179.01 179.38 1qrr n GLU 137 N -3.04 1.09 -1.96 1.06 1.02 -1.26 -4.66 120.64 112.90 1qrr n GLU 137 Ca -0.00 -0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 56.06 1qrr n GLU 137 Cb 0.45 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 1qrr n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qrr s HIS 139 N 1.91 3.42 -0.31 0.00 2.46 -0.43 -4.56 115.29 117.78 1qrr s HIS 139 Ca 0.71 1.31 -0.18 0.00 0.47 0.00 0.00 55.06 57.38 1qrr s HIS 139 Cb -0.41 -3.05 -0.01 0.00 -0.13 0.00 0.00 32.58 28.97 1qrr s HIS 139 CO 0.31 -0.26 0.50 -1.17 -2.47 0.00 0.00 174.74 171.66 1qrr s LEU 140 N 2.21 4.22 -0.45 8.88 2.96 -0.72 -0.88 118.68 134.89 1qrr s LEU 140 Ca 0.40 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 1qrr s LEU 140 Cb -0.17 -2.59 0.10 0.00 0.50 0.00 0.00 46.19 44.03 1qrr s LEU 140 CO 0.13 -0.39 0.33 -0.69 -1.32 0.00 0.00 176.35 174.40 1qrr s VAL 141 N 2.34 4.42 -0.09 1.68 1.01 0.82 -0.39 120.40 130.19 1qrr s VAL 141 Ca 0.19 -1.51 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 1qrr s VAL 141 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1qrr s VAL 141 CO 0.12 -0.64 0.16 -0.75 0.00 0.00 0.00 175.10 173.98 1qrr s LYS 142 N 1.44 3.44 -0.43 2.72 2.47 0.19 -1.16 119.74 128.42 1qrr s LYS 142 Ca 0.04 -0.18 -0.20 0.00 -1.56 0.00 0.00 55.97 54.07 1qrr s LYS 142 Cb -0.25 -3.16 0.02 0.00 -1.46 0.00 0.00 37.83 32.98 1qrr s LYS 142 CO 0.02 0.75 0.60 -0.51 0.16 0.00 0.00 175.35 176.36 1qrr s LEU 143 N -1.31 4.55 0.00 5.43 2.01 -1.14 0.43 118.68 128.66 1qrr s LEU 143 Ca 0.19 -0.37 0.00 0.00 0.01 0.00 0.00 54.13 53.96 1qrr s LEU 143 Cb -0.12 -2.66 0.00 0.00 0.01 0.00 0.00 46.19 43.42 1qrr s LEU 143 CO 0.09 -0.72 0.00 0.61 1.01 0.00 0.00 176.35 177.34 1qrr n GLY 144 N 5.02 0.57 3.64 -3.19 0.00 0.66 -4.90 105.19 107.00 1qrr n GLY 144 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1qrr n GLY 144 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qrr s THR 145 N 2.43 0.00 0.44 2.61 -1.32 -1.25 -4.59 115.64 113.95 1qrr s THR 145 Ca 0.00 0.00 0.36 0.00 -1.21 0.00 0.00 61.69 60.84 1qrr s THR 145 Cb 0.00 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.37 1qrr s THR 145 CO 0.00 0.00 2.18 0.24 -2.21 0.00 0.00 174.62 174.83 1qrr h MET 146 N 3.13 0.00 0.00 7.08 2.86 -1.64 -2.05 114.93 124.31 1qrr h MET 146 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1qrr h MET 146 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1qrr h MET 146 CO 0.18 0.03 0.00 0.78 1.06 0.00 0.00 176.91 178.96 1qrr h GLY 147 N 0.78 0.00 1.78 8.32 0.00 -1.94 -2.88 103.07 109.13 1qrr h GLY 147 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1qrr h GLY 147 CO 0.00 0.00 0.11 0.83 0.00 0.00 0.00 176.54 177.49 1qrr h GLU 148 N 0.00 0.30 0.00 4.80 5.08 -1.66 -2.79 114.58 120.31 1qrr h GLU 148 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1qrr h GLU 148 Cb 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1qrr h GLU 148 CO 0.00 0.23 -0.19 1.88 -1.00 0.00 0.00 179.01 179.92 1qrr h TYR 149 N 0.30 0.00 -0.15 4.33 -1.99 -1.74 -0.41 116.97 117.30 1qrr h TYR 149 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1qrr h TYR 149 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.75 1qrr h TYR 149 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1qrr n GLY 150 N 1.18 0.35 2.46 3.88 0.00 -1.05 -4.17 105.19 107.84 1qrr n GLY 150 Ca 0.04 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 1qrr n GLY 150 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qrr n THR 151 N 0.00 0.82 -1.39 2.61 -2.24 -1.26 -4.98 114.28 107.84 1qrr n THR 151 Ca 0.00 -4.54 -0.29 0.00 -2.27 0.00 0.00 64.05 56.95 1qrr n THR 151 Cb 0.00 -2.01 0.14 0.00 -2.10 0.00 0.00 70.33 66.36 1qrr n THR 151 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1qrr s PRO 152 N -1.52 1.19 -0.01 -0.78 0.04 -1.26 -4.83 135.00 127.83 1qrr s PRO 152 Ca 0.34 0.52 0.05 0.00 0.04 0.00 0.00 61.00 61.95 1qrr s PRO 152 Cb 0.10 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.97 1qrr s PRO 152 CO -0.10 -2.21 1.04 -1.71 0.04 0.00 0.00 177.00 174.06 1qrr n ASN 153 N -3.82 1.18 -4.41 6.66 5.15 -1.26 -4.66 115.26 114.10 1qrr n ASN 153 Ca 0.06 -2.05 -0.20 0.00 -0.60 0.00 0.00 54.58 51.79 1qrr n ASN 153 Cb 0.57 -0.21 -0.10 0.00 -0.53 0.00 0.00 39.78 39.51 1qrr n ASN 153 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1qrr s ILE 154 N -1.69 1.22 0.48 -1.44 -4.36 -1.26 -5.03 121.20 109.12 1qrr s ILE 154 Ca 0.12 -2.03 -0.24 0.00 -0.26 0.00 0.00 60.65 58.23 1qrr s ILE 154 Cb 0.07 -2.60 -0.07 0.00 1.25 0.00 0.00 42.46 41.11 1qrr s ILE 154 CO 0.07 -0.15 1.42 -1.81 0.24 0.00 0.00 174.94 174.70 1qrr s ASP 155 N -3.42 5.67 -0.21 4.36 -0.00 -1.26 -4.75 116.67 117.06 1qrr s ASP 155 Ca 0.33 2.90 -0.14 0.00 -0.00 0.00 0.00 52.55 55.64 1qrr s ASP 155 Cb 0.07 -2.65 -0.04 0.00 -0.00 0.00 0.00 42.92 40.30 1qrr s ASP 155 CO 0.13 -1.31 0.31 -0.63 -0.00 0.00 0.00 175.17 173.67 1qrr s ILE 156 N -1.22 5.26 0.61 0.77 1.01 -0.42 -5.01 121.20 122.19 1qrr s ILE 156 Ca 0.64 0.53 0.05 0.00 0.00 0.00 0.00 60.65 61.87 1qrr s ILE 156 Cb -0.43 -3.65 0.09 0.00 0.01 0.00 0.00 42.46 38.48 1qrr s ILE 156 CO 0.54 0.30 0.83 -1.61 0.00 0.00 0.00 174.94 175.01 1qrr s GLU 157 N 1.10 2.17 -1.23 2.79 0.41 -1.26 -0.19 118.70 122.48 1qrr s GLU 157 Ca 0.15 -1.36 -0.14 0.00 -0.41 0.00 0.00 54.97 53.22 1qrr s GLU 157 Cb -0.14 -2.54 0.16 0.00 -1.78 0.00 0.00 34.13 29.83 1qrr s GLU 157 CO 0.06 -0.98 1.53 0.39 -0.49 0.00 0.00 175.26 175.76 1qrr n GLU 158 N -2.41 3.38 0.00 1.61 1.02 -1.26 -4.63 120.64 118.35 1qrr n GLU 158 Ca 0.14 -3.75 0.00 0.00 -0.02 0.00 0.00 57.16 53.53 1qrr n GLU 158 Cb 0.61 -3.07 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 1qrr n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qrr n GLY 159 N 4.04 2.02 3.24 0.62 0.00 -1.26 -4.62 105.19 109.23 1qrr n GLY 159 Ca 0.38 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 1qrr n GLY 159 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qrr s TYR 160 N -0.48 1.30 -0.04 1.61 2.02 -1.26 -1.03 117.35 119.47 1qrr s TYR 160 Ca 0.00 -0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 56.04 1qrr s TYR 160 Cb 0.00 -0.67 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1qrr s TYR 160 CO 0.00 0.11 0.08 -1.50 -1.57 0.00 0.00 175.55 172.67 1qrr s ILE 161 N -2.64 -0.04 -0.27 2.71 2.07 -0.17 -4.71 121.20 118.16 1qrr s ILE 161 Ca 0.11 0.13 -0.20 0.00 -1.41 0.00 0.00 60.65 59.29 1qrr s ILE 161 Cb -0.02 -0.15 -0.02 0.00 0.13 0.00 0.00 42.46 42.41 1qrr s ILE 161 CO 0.02 0.05 0.60 -0.89 -1.91 0.00 0.00 174.94 172.81 1qrr s THR 162 N 0.75 4.99 0.01 4.00 2.01 -1.26 -0.80 115.64 125.34 1qrr s THR 162 Ca -0.06 0.97 0.07 0.00 0.31 0.00 0.00 61.69 62.98 1qrr s THR 162 Cb -0.08 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1qrr s THR 162 CO -0.03 -0.01 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.06 1qrr s ILE 163 N 2.49 2.63 -0.27 1.82 1.01 0.72 -4.97 121.20 124.63 1qrr s ILE 163 Ca 0.24 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1qrr s ILE 163 Cb -0.15 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.31 1qrr s ILE 163 CO 0.10 0.45 -0.03 -0.89 0.00 0.00 0.00 174.94 174.57 1qrr s THR 164 N -0.80 2.96 -0.09 2.92 2.01 -1.26 -1.30 115.64 120.08 1qrr s THR 164 Ca 0.13 -1.14 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1qrr s THR 164 Cb -0.10 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 69.84 1qrr s THR 164 CO 0.02 0.08 -0.13 -2.28 -0.69 0.00 0.00 174.62 171.63 1qrr s HIS 165 N 1.31 1.70 -1.48 4.92 5.04 0.18 -4.80 115.29 122.16 1qrr s HIS 165 Ca -0.02 -0.75 -0.05 0.00 -1.54 0.00 0.00 55.06 52.70 1qrr s HIS 165 Cb -0.18 -1.26 0.04 0.00 0.04 0.00 0.00 32.58 31.22 1qrr s HIS 165 CO -0.03 -0.41 0.57 0.09 -2.34 0.00 0.00 174.74 172.62 1qrr n ASN 166 N 4.20 -1.45 0.00 9.88 3.02 -1.26 -1.41 115.26 128.25 1qrr n ASN 166 Ca -0.19 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1qrr n ASN 166 Cb 0.51 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 1qrr n ASN 166 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qrr n GLY 167 N -1.80 0.80 3.34 7.41 0.00 -1.26 -5.02 105.19 108.65 1qrr n GLY 167 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1qrr n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qrr s ARG 168 N -0.08 1.27 0.11 1.61 0.52 -0.50 -5.14 118.95 116.75 1qrr s ARG 168 Ca 0.00 -1.25 0.10 0.00 -0.52 0.00 0.00 55.73 54.06 1qrr s ARG 168 Cb 0.00 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.78 1qrr s ARG 168 CO 0.00 0.39 -0.26 0.99 0.02 0.00 0.00 175.30 176.44 1qrr s THR 169 N -1.10 2.32 0.04 0.02 2.01 -1.26 0.50 115.64 118.16 1qrr s THR 169 Ca 0.10 -1.65 -0.27 0.00 0.31 0.00 0.00 61.69 60.18 1qrr s THR 169 Cb -0.10 -2.01 0.09 0.00 0.01 0.00 0.00 72.50 70.49 1qrr s THR 169 CO 0.05 0.15 0.76 -0.62 -0.69 0.00 0.00 174.62 174.27 1qrr s ASP 170 N -1.91 -0.48 -0.26 3.53 2.15 -0.42 -5.01 116.67 114.28 1qrr s ASP 170 Ca 0.14 0.12 -0.05 0.00 0.43 0.00 0.00 52.55 53.19 1qrr s ASP 170 Cb -0.10 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.00 1qrr s ASP 170 CO 0.06 -0.73 0.02 -0.89 -0.17 0.00 0.00 175.17 173.45 1qrr s THR 171 N -2.98 3.61 0.35 1.71 2.01 -1.26 -0.20 115.64 118.88 1qrr s THR 171 Ca 0.01 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1qrr s THR 171 Cb -0.01 -2.78 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 1qrr s THR 171 CO -0.07 0.23 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.27 1qrr s LEU 172 N 1.47 2.69 0.43 4.42 1.43 0.02 -4.90 118.68 124.23 1qrr s LEU 172 Ca 0.03 -1.25 -0.26 0.00 -1.03 0.00 0.00 54.13 51.62 1qrr s LEU 172 Cb -0.16 -0.87 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 1qrr s LEU 172 CO -0.00 -0.32 1.40 -2.84 0.23 0.00 0.00 176.35 174.82 1qrr s PRO 173 N -3.67 3.82 0.15 1.29 0.02 -1.26 -1.00 135.00 134.35 1qrr s PRO 173 Ca 0.33 2.38 -0.31 0.00 0.02 0.00 0.00 61.00 63.41 1qrr s PRO 173 Cb 0.05 -2.73 -0.09 0.00 0.02 0.00 0.00 34.50 31.75 1qrr s PRO 173 CO 0.16 -0.69 1.50 -0.47 -0.33 0.00 0.00 177.00 177.17 1qrr s TYR 174 N -1.20 3.13 0.18 6.54 6.14 -0.20 -4.71 117.35 127.23 1qrr s TYR 174 Ca 0.59 0.76 -0.33 0.00 0.64 0.00 0.00 57.07 58.73 1qrr s TYR 174 Cb -0.43 -3.84 -0.15 0.00 0.42 0.00 0.00 41.96 37.97 1qrr s TYR 174 CO 0.55 -3.02 1.34 -2.30 0.64 0.00 0.00 175.55 172.77 1qrr n PRO 175 N 3.88 1.62 -4.27 4.97 -0.02 -1.26 -4.97 135.00 134.96 1qrr n PRO 175 Ca 0.13 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 1qrr n PRO 175 Cb 0.40 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.59 1qrr n PRO 175 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1qrr s LYS 176 N -0.09 3.19 -0.42 -0.52 -0.14 -1.26 -4.71 119.74 115.79 1qrr s LYS 176 Ca 0.74 -0.37 0.06 0.00 -1.36 0.00 0.00 55.97 55.04 1qrr s LYS 176 Cb -0.77 -2.90 0.20 0.00 -1.68 0.00 0.00 37.83 32.69 1qrr s LYS 176 CO 0.48 0.64 0.47 1.04 -0.76 0.00 0.00 175.35 177.23 1qrr n GLN 177 N 2.34 0.44 -2.52 1.68 6.02 -0.16 -5.00 117.38 120.17 1qrr n GLN 177 Ca -0.19 -3.02 -0.35 0.00 -0.01 0.00 0.00 57.00 53.44 1qrr n GLN 177 Cb 0.54 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 1qrr n GLN 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qrr s ALA 178 N -0.29 2.91 -0.22 -1.58 0.00 -1.25 -3.22 121.76 118.10 1qrr s ALA 178 Ca 0.33 0.65 0.11 0.00 0.00 0.00 0.00 51.96 53.06 1qrr s ALA 178 Cb 0.10 -3.27 0.43 0.00 0.00 0.00 0.00 23.12 20.38 1qrr s ALA 178 CO -0.16 -0.33 1.27 -1.13 0.00 0.00 0.00 175.76 175.42 1qrr n SER 179 N -0.79 2.00 -3.47 0.00 3.41 -1.26 -4.86 113.62 108.65 1qrr n SER 179 Ca 0.08 -3.78 -0.11 0.00 -0.26 0.00 0.00 58.87 54.81 1qrr n SER 179 Cb 0.52 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 1qrr n SER 179 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1qrr s SER 180 N -3.01 -0.47 0.47 4.04 1.04 -1.26 -4.85 113.70 109.65 1qrr s SER 180 Ca 0.39 0.08 0.21 0.00 0.48 0.00 0.00 55.95 57.10 1qrr s SER 180 Cb 0.37 0.48 1.15 0.00 0.10 0.00 0.00 66.02 68.12 1qrr s SER 180 CO -0.04 -0.75 1.98 -0.26 0.98 0.00 0.00 173.24 175.15 1qrr h PHE 181 N 2.11 0.00 0.16 5.02 -1.00 -1.86 -0.09 116.94 121.27 1qrr h PHE 181 Ca -0.27 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 1qrr h PHE 181 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 1qrr h PHE 181 CO 0.26 0.20 -0.08 -0.92 -1.61 0.00 0.00 178.31 176.16 1qrr h TYR 182 N 0.00 -0.20 -0.80 -0.55 3.20 -1.84 -2.03 116.97 114.75 1qrr h TYR 182 Ca -0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1qrr h TYR 182 Cb 0.43 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 1qrr h TYR 182 CO 0.00 0.22 0.52 0.45 -1.64 0.00 0.00 178.16 177.72 1qrr h HIS 183 N -0.73 0.85 -0.63 -3.82 3.86 -1.86 -1.22 115.15 111.61 1qrr h HIS 183 Ca -0.02 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1qrr h HIS 183 Cb 0.51 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 1qrr h HIS 183 CO 0.07 0.44 0.19 -0.07 0.86 0.00 0.00 177.93 179.41 1qrr h LEU 184 N 0.83 0.93 -1.55 2.43 3.38 -0.99 -2.52 115.31 117.81 1qrr h LEU 184 Ca 0.35 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1qrr h LEU 184 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1qrr h LEU 184 CO -0.13 0.90 0.38 0.77 0.09 0.00 0.00 178.44 180.45 1qrr h SER 185 N 0.92 0.49 -0.33 -0.43 4.64 -0.46 -0.70 113.55 117.67 1qrr h SER 185 Ca 0.20 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.38 1qrr h SER 185 Cb 0.31 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1qrr h SER 185 CO -0.00 0.32 -0.32 0.11 -0.87 0.00 0.00 176.83 176.07 1qrr h LYS 186 N 0.56 0.86 -0.56 4.77 1.79 -1.20 -0.83 116.57 121.96 1qrr h LYS 186 Ca 0.24 -0.41 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1qrr h LYS 186 Cb 0.25 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1qrr h LYS 186 CO -0.07 1.05 0.34 0.28 -1.08 0.00 0.00 179.45 179.98 1qrr h VAL 187 N 0.72 1.16 -0.51 0.50 2.07 -0.83 -0.55 116.25 118.82 1qrr h VAL 187 Ca 0.08 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1qrr h VAL 187 Cb 0.88 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1qrr h VAL 187 CO 0.08 0.17 0.32 0.45 0.02 0.00 0.00 177.57 178.61 1qrr h HIS 188 N 0.75 0.66 -0.04 1.57 3.86 -0.92 -1.67 115.15 119.36 1qrr h HIS 188 Ca 0.20 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 1qrr h HIS 188 Cb -0.03 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.18 1qrr h HIS 188 CO -0.03 0.44 -0.21 -0.44 0.86 0.00 0.00 177.93 178.55 1qrr h ASP 189 N 0.69 -0.63 -0.77 2.45 3.45 -0.65 -0.60 116.42 120.35 1qrr h ASP 189 Ca 0.19 0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.79 1qrr h ASP 189 Cb -0.05 0.27 -0.05 0.00 -0.56 0.00 0.00 39.33 38.94 1qrr h ASP 189 CO -0.04 -0.27 0.47 0.28 -1.57 0.00 0.00 179.24 178.11 1qrr h SER 190 N -0.32 0.75 -0.55 6.45 0.02 -0.81 0.14 113.55 119.23 1qrr h SER 190 Ca 0.07 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 1qrr h SER 190 Cb 0.41 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1qrr h SER 190 CO -0.22 0.49 -0.04 0.45 -1.14 0.00 0.00 176.83 176.37 1qrr h HIS 191 N 0.88 1.09 -0.20 3.45 3.86 -1.00 -1.24 115.15 121.99 1qrr h HIS 191 Ca 0.33 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1qrr h HIS 191 Cb 0.13 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1qrr h HIS 191 CO -0.04 1.00 0.10 -0.91 0.86 0.00 0.00 177.93 178.93 1qrr h ASN 192 N 0.87 0.26 -0.41 2.45 2.35 -0.43 -2.55 115.58 118.12 1qrr h ASN 192 Ca 0.15 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1qrr h ASN 192 Cb 0.59 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1qrr h ASN 192 CO 0.04 0.31 0.20 0.40 -1.65 0.00 0.00 177.43 176.73 1qrr h ILE 193 N 0.20 1.17 -0.73 2.81 2.04 -0.90 -2.51 117.51 119.59 1qrr h ILE 193 Ca 0.07 -0.48 0.10 0.00 1.00 0.00 0.00 64.86 65.55 1qrr h ILE 193 Cb 0.12 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1qrr h ILE 193 CO -0.01 0.18 0.37 0.00 0.00 0.00 0.00 178.15 178.69 1qrr h ALA 194 N 1.05 1.03 -0.27 1.87 0.00 -1.14 -1.44 119.26 120.37 1qrr h ALA 194 Ca 0.14 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1qrr h ALA 194 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qrr h ALA 194 CO -0.02 -0.05 0.16 0.35 0.00 0.00 0.00 179.25 179.69 1qrr h PHE 195 N 0.61 0.36 0.00 0.00 3.57 -1.15 -2.68 116.94 117.64 1qrr h PHE 195 Ca 0.37 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.83 1qrr h PHE 195 Cb 0.41 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1qrr h PHE 195 CO -0.11 0.28 -0.17 1.79 -2.23 0.00 0.00 178.31 177.87 1qrr h THR 196 N 0.34 0.74 -0.35 4.41 1.35 -0.93 0.78 112.91 119.25 1qrr h THR 196 Ca 0.10 -0.70 -0.05 0.00 -0.55 0.00 0.00 66.41 65.20 1qrr h THR 196 Cb 0.03 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1qrr h THR 196 CO -0.02 0.17 0.01 0.00 -0.25 0.00 0.00 175.52 175.43 1qrr h LYS 198 N 0.43 0.38 -0.04 0.00 1.57 -1.19 -1.00 116.57 116.74 1qrr h LYS 198 Ca 0.10 -0.29 -0.23 0.00 -1.87 0.00 0.00 60.65 58.37 1qrr h LYS 198 Cb 0.44 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1qrr h LYS 198 CO 0.02 0.91 -0.90 0.00 -0.57 0.00 0.00 179.45 178.91 1qrr h ALA 199 N 0.47 0.35 -0.00 3.86 0.00 -0.88 -3.37 119.26 119.69 1qrr h ALA 199 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1qrr h ALA 199 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1qrr h ALA 199 CO 0.07 0.76 -0.36 0.91 0.00 0.00 0.00 179.25 180.63 1qrr n TRP 200 N -3.81 0.00 -0.88 0.00 8.01 0.51 -5.00 117.44 116.26 1qrr n TRP 200 Ca -0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 1qrr n TRP 200 Cb 0.81 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.11 1qrr n TRP 200 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qrr n GLY 201 N 1.15 0.51 3.74 6.99 0.00 -0.38 -4.94 105.19 112.25 1qrr n GLY 201 Ca 0.02 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1qrr n GLY 201 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qrr n ILE 202 N -2.88 4.10 -4.48 -0.61 2.08 -1.20 -0.94 119.36 115.43 1qrr n ILE 202 Ca 0.00 -0.50 -0.34 0.00 0.56 0.00 0.00 62.75 62.47 1qrr n ILE 202 Cb 0.00 -1.61 -0.14 0.00 -0.75 0.00 0.00 39.64 37.14 1qrr n ILE 202 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qrr s ARG 203 N -2.99 3.39 0.05 0.38 1.70 -1.26 -1.71 118.95 118.51 1qrr s ARG 203 Ca 0.74 -0.66 -0.10 0.00 -0.47 0.00 0.00 55.73 55.25 1qrr s ARG 203 Cb -0.41 -2.76 0.00 0.00 -0.57 0.00 0.00 34.95 31.22 1qrr s ARG 203 CO 0.47 0.09 0.21 0.00 -1.08 0.00 0.00 175.30 174.99 1qrr s ALA 204 N 0.69 -0.37 -0.14 7.88 0.00 -0.63 -1.75 121.76 127.45 1qrr s ALA 204 Ca -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1qrr s ALA 204 Cb -0.15 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1qrr s ALA 204 CO 0.02 -0.41 -0.07 0.99 0.00 0.00 0.00 175.76 176.30 1qrr s THR 205 N -2.90 1.07 -0.35 0.00 2.01 0.48 -0.95 115.64 115.00 1qrr s THR 205 Ca -0.02 -0.44 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 1qrr s THR 205 Cb 0.00 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1qrr s THR 205 CO -0.06 0.27 0.64 -0.62 -0.69 0.00 0.00 174.62 174.15 1qrr s ASP 206 N 1.67 6.44 -0.54 3.53 3.68 0.15 -0.64 116.67 130.96 1qrr s ASP 206 Ca 0.03 0.20 -0.17 0.00 2.13 0.00 0.00 52.55 54.74 1qrr s ASP 206 Cb -0.14 -2.33 0.10 0.00 -1.45 0.00 0.00 42.92 39.11 1qrr s ASP 206 CO -0.08 -0.57 0.56 -0.76 0.13 0.00 0.00 175.17 174.44 1qrr s LEU 207 N 2.69 5.72 -1.03 -1.34 1.43 0.17 -1.18 118.68 125.14 1qrr s LEU 207 Ca 0.25 -1.51 -0.18 0.00 -1.03 0.00 0.00 54.13 51.65 1qrr s LEU 207 Cb -0.15 -2.26 0.12 0.00 0.03 0.00 0.00 46.19 43.94 1qrr s LEU 207 CO 0.14 -0.90 1.29 0.20 0.23 0.00 0.00 176.35 177.31 1qrr s ASN 208 N 3.34 6.73 0.37 2.29 0.01 -0.01 -0.25 114.94 127.42 1qrr s ASN 208 Ca 0.07 -2.20 -0.22 0.00 -0.71 0.00 0.00 52.86 49.80 1qrr s ASN 208 Cb -0.26 -2.44 -0.10 0.00 0.41 0.00 0.00 41.25 38.86 1qrr s ASN 208 CO 0.06 -1.07 0.90 -1.58 -1.51 0.00 0.00 177.10 173.90 1qrr s GLN 209 N 2.90 4.30 0.47 -0.60 0.74 -1.26 -0.57 119.66 125.64 1qrr s GLN 209 Ca 0.39 1.10 -0.05 0.00 0.05 0.00 0.00 55.36 56.85 1qrr s GLN 209 Cb -0.03 -2.45 0.10 0.00 1.10 0.00 0.00 33.01 31.73 1qrr s GLN 209 CO -0.06 0.12 0.64 0.41 -0.55 0.00 0.00 175.29 175.85 1qrr n GLY 210 N -0.14 -0.35 3.72 2.59 0.00 -0.06 -2.52 105.19 108.43 1qrr n GLY 210 Ca 0.04 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1qrr n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qrr s VAL 211 N -2.09 3.08 0.07 1.61 1.01 -0.07 -4.75 120.40 119.25 1qrr s VAL 211 Ca 0.39 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 1qrr s VAL 211 Cb -0.02 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1qrr s VAL 211 CO 0.26 0.08 0.48 -0.69 0.00 0.00 0.00 175.10 175.24 1qrr s VAL 212 N 0.77 4.93 0.08 2.92 1.01 -1.26 -1.73 120.40 127.12 1qrr s VAL 212 Ca 0.63 0.83 0.04 0.00 0.00 0.00 0.00 61.98 63.48 1qrr s VAL 212 Cb -0.39 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1qrr s VAL 212 CO 0.34 0.42 -0.11 -0.72 0.00 0.00 0.00 175.10 175.03 1qrr s TYR 213 N -1.26 1.03 0.00 5.22 -0.85 -0.73 -4.78 117.35 115.98 1qrr s TYR 213 Ca 0.31 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1qrr s TYR 213 Cb -0.16 -0.57 0.00 0.00 0.38 0.00 0.00 41.96 41.61 1qrr s TYR 213 CO 0.17 -0.00 0.00 0.41 -1.52 0.00 0.00 175.55 174.61 1qrr n GLY 214 N 0.92 2.24 0.00 5.49 0.00 -1.26 -1.33 105.19 111.26 1qrr n GLY 214 Ca -0.19 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1qrr n GLY 214 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1qrr n VAL 215 N 0.95 0.00 -3.70 1.61 3.14 -1.26 -4.80 118.33 114.28 1qrr n VAL 215 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 1qrr n VAL 215 Cb 0.00 0.04 -0.06 0.00 -1.06 0.00 0.00 33.84 32.76 1qrr n VAL 215 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1qrr s LYS 216 N -0.86 3.66 0.05 1.45 1.02 -1.26 -4.50 119.74 119.30 1qrr s LYS 216 Ca 0.00 0.09 -0.02 0.00 0.02 0.00 0.00 55.97 56.06 1qrr s LYS 216 Cb 0.00 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1qrr s LYS 216 CO 0.00 0.70 0.01 0.95 -0.92 0.00 0.00 175.35 176.09 1qrr s THR 217 N -1.15 0.18 0.24 2.17 -4.23 -1.26 -4.57 115.64 107.02 1qrr s THR 217 Ca 0.23 -1.49 -0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1qrr s THR 217 Cb -0.14 -1.20 0.22 0.00 1.34 0.00 0.00 72.50 72.72 1qrr s THR 217 CO 0.12 -0.82 1.68 0.44 -0.54 0.00 0.00 174.62 175.50 1qrr h ASP 218 N 3.42 -0.02 -0.11 3.99 3.32 -1.98 -2.55 116.42 122.48 1qrr h ASP 218 Ca -0.33 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1qrr h ASP 218 Cb 1.16 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 1qrr h ASP 218 CO 0.59 -0.04 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.61 1qrr h GLU 219 N 0.25 0.29 0.00 3.56 3.07 -1.95 -3.26 114.58 116.55 1qrr h GLU 219 Ca 0.39 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1qrr h GLU 219 Cb 0.65 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1qrr h GLU 219 CO -0.50 0.71 -0.08 1.79 -1.40 0.00 0.00 179.01 179.53 1qrr h THR 220 N -0.11 0.33 -0.00 1.13 1.35 -1.75 -2.18 112.91 111.66 1qrr h THR 220 Ca 0.02 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1qrr h THR 220 Cb 0.66 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1qrr h THR 220 CO 0.03 0.08 -0.08 -0.62 -0.25 0.00 0.00 175.52 174.68 1qrr n GLU 221 N -3.39 0.79 0.13 4.72 4.71 -0.98 -3.26 120.64 123.36 1qrr n GLU 221 Ca -0.01 -0.24 0.12 0.00 -0.01 0.00 0.00 57.16 57.01 1qrr n GLU 221 Cb 0.24 -1.49 0.49 0.00 -1.01 0.00 0.00 31.44 29.67 1qrr n GLU 221 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1qrr n MET 222 N -0.89 0.21 -3.61 3.49 2.81 -0.82 -4.80 117.12 113.50 1qrr n MET 222 Ca 0.16 0.42 -0.08 0.00 -1.81 0.00 0.00 57.70 56.39 1qrr n MET 222 Cb 0.26 -1.88 -0.06 0.00 -0.71 0.00 0.00 33.22 30.83 1qrr n MET 222 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1qrr s HIS 223 N -3.32 -0.31 0.33 2.03 5.04 -1.25 -5.04 115.29 112.77 1qrr s HIS 223 Ca 0.04 0.62 0.06 0.00 -1.54 0.00 0.00 55.06 54.25 1qrr s HIS 223 Cb 0.09 0.44 0.73 0.00 0.04 0.00 0.00 32.58 33.88 1qrr s HIS 223 CO 0.41 -0.23 1.86 1.05 -2.34 0.00 0.00 174.74 175.48 1qrr h GLU 224 N 2.96 0.77 0.00 2.88 9.09 -1.87 0.02 114.58 128.44 1qrr h GLU 224 Ca -0.20 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.16 1qrr h GLU 224 Cb 1.17 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 1qrr h GLU 224 CO 0.23 0.51 0.00 0.39 0.05 0.00 0.00 179.01 180.19 1qrr n GLU 225 N -4.59 0.04 0.00 1.06 1.02 -1.26 -1.71 120.64 115.20 1qrr n GLU 225 Ca 0.18 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1qrr n GLU 225 Cb 0.43 -1.57 0.14 0.00 -0.02 0.00 0.00 31.44 30.42 1qrr n GLU 225 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1qrr n LEU 226 N -1.64 1.55 -4.63 -4.62 4.77 -0.01 -4.33 117.00 108.10 1qrr n LEU 226 Ca 0.03 -0.54 -0.46 0.00 -0.03 0.00 0.00 56.01 55.01 1qrr n LEU 226 Cb 0.18 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1qrr n LEU 226 CO 0.15 0.29 0.85 0.54 -1.33 0.00 0.00 177.39 177.89 1qrr n ARG 227 N -0.38 1.64 -2.13 3.23 5.12 -0.69 -4.56 116.66 118.89 1qrr n ARG 227 Ca 0.10 0.58 -0.27 0.00 -1.93 0.00 0.00 57.85 56.33 1qrr n ARG 227 Cb 0.41 -2.15 0.07 0.00 -1.16 0.00 0.00 32.46 29.64 1qrr n ARG 227 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1qrr s ASN 228 N 0.07 4.78 0.34 0.55 3.84 -1.26 -4.65 114.94 118.60 1qrr s ASN 228 Ca 0.69 0.56 -0.10 0.00 0.21 0.00 0.00 52.86 54.21 1qrr s ASN 228 Cb -0.73 -1.18 -0.07 0.00 -0.55 0.00 0.00 41.25 38.72 1qrr s ASN 228 CO 0.52 -1.65 0.68 0.00 -2.79 0.00 0.00 177.10 173.87 1qrr s ARG 229 N -5.32 3.80 -0.26 0.43 1.70 -1.26 -4.87 118.95 113.17 1qrr s ARG 229 Ca 0.60 0.39 -0.02 0.00 -0.47 0.00 0.00 55.73 56.22 1qrr s ARG 229 Cb -0.11 -2.49 0.08 0.00 -0.57 0.00 0.00 34.95 31.86 1qrr s ARG 229 CO 0.46 0.11 0.08 -1.17 -1.08 0.00 0.00 175.30 173.69 1qrr s LEU 230 N -3.45 1.45 0.01 -1.89 1.98 -1.26 -4.91 118.68 110.61 1qrr s LEU 230 Ca 0.50 -1.21 -0.19 0.00 -2.89 0.00 0.00 54.13 50.33 1qrr s LEU 230 Cb -0.10 -0.65 -0.06 0.00 0.66 0.00 0.00 46.19 46.04 1qrr s LEU 230 CO 0.27 -0.37 0.56 -1.81 -1.89 0.00 0.00 176.35 173.10 1qrr s ASP 231 N 1.82 6.97 0.00 3.68 1.01 -1.26 -0.52 116.67 128.37 1qrr s ASP 231 Ca 0.05 1.15 0.00 0.00 0.71 0.00 0.00 52.55 54.46 1qrr s ASP 231 Cb -0.17 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1qrr s ASP 231 CO -0.20 0.18 0.01 0.00 0.21 0.00 0.00 175.17 175.37 1qrr n TYR 232 N 2.35 0.00 -0.94 4.23 0.18 -1.26 -4.34 117.16 117.38 1qrr n TYR 232 Ca -0.09 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.40 1qrr n TYR 232 Cb 0.51 0.00 0.18 0.00 -0.38 0.00 0.00 39.34 39.65 1qrr n TYR 232 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1qrr s ASP 233 N -0.49 2.57 0.00 9.48 1.47 -1.26 -4.69 116.67 123.74 1qrr s ASP 233 Ca 0.00 1.56 0.24 0.00 1.18 0.00 0.00 52.55 55.53 1qrr s ASP 233 Cb 0.00 -2.22 1.25 0.00 -0.34 0.00 0.00 42.92 41.61 1qrr s ASP 233 CO 0.00 -3.22 1.82 0.00 0.68 0.00 0.00 175.17 174.45 1qrr n ALA 234 N -4.27 2.25 -0.11 2.11 0.00 0.06 -0.83 120.51 119.73 1qrr n ALA 234 Ca 0.06 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 1qrr n ALA 234 Cb 0.55 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 1qrr n ALA 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qrr n VAL 235 N -1.26 1.50 0.30 0.00 0.31 -1.26 -4.71 118.33 113.21 1qrr n VAL 235 Ca 0.12 -0.06 0.09 0.00 -0.01 0.00 0.00 64.34 64.48 1qrr n VAL 235 Cb 0.19 -2.13 -0.13 0.00 -0.91 0.00 0.00 33.84 30.86 1qrr n VAL 235 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1qrr n PHE 236 N -4.41 0.00 -2.08 3.52 3.72 -1.25 -4.41 117.46 112.54 1qrr n PHE 236 Ca -0.31 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.75 1qrr n PHE 236 Cb 0.63 -0.28 0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1qrr n PHE 236 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1qrr s GLY 237 N -3.69 2.52 0.33 1.37 0.00 -0.01 -4.89 107.32 102.95 1qrr s GLY 237 Ca -0.02 0.78 0.10 0.00 0.00 0.00 0.00 44.72 45.58 1qrr s GLY 237 CO 0.78 1.15 -0.07 -0.51 0.00 0.00 0.00 173.10 174.44 1qrr s THR 238 N -1.89 2.46 0.00 0.90 -4.23 -1.26 -4.84 115.64 106.78 1qrr s THR 238 Ca 0.72 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1qrr s THR 238 Cb -0.24 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1qrr s THR 238 CO 0.32 -0.24 0.74 0.00 -0.54 0.00 0.00 174.62 174.90 1qrr n ALA 239 N -0.82 0.00 0.09 3.99 0.00 -1.26 -0.73 120.51 121.78 1qrr n ALA 239 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1qrr n ALA 239 Cb 0.62 0.37 -0.08 0.00 0.00 0.00 0.00 19.45 20.37 1qrr n ALA 239 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qrr h LEU 240 N 0.00 -0.15 -0.79 0.00 5.85 -1.98 -1.05 115.31 117.19 1qrr h LEU 240 Ca 0.00 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1qrr h LEU 240 Cb 0.00 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1qrr h LEU 240 CO 0.00 -0.01 0.44 0.78 -0.34 0.00 0.00 178.44 179.31 1qrr h ASN 241 N -0.28 0.63 -0.44 1.25 2.35 -1.84 -1.42 115.58 115.82 1qrr h ASN 241 Ca -0.02 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1qrr h ASN 241 Cb 0.23 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1qrr h ASN 241 CO 0.03 0.37 0.22 0.03 -1.65 0.00 0.00 177.43 176.43 1qrr h ARG 242 N 0.76 0.63 -0.73 0.81 3.08 -0.73 -2.43 114.38 115.76 1qrr h ARG 242 Ca 0.37 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 1qrr h ARG 242 Cb 0.33 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1qrr h ARG 242 CO -0.24 0.53 0.39 0.74 -1.07 0.00 0.00 179.97 180.33 1qrr h PHE 243 N 0.58 1.02 -0.63 3.04 -1.00 -0.56 -0.30 116.94 119.09 1qrr h PHE 243 Ca 0.15 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 1qrr h PHE 243 Cb 0.10 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.31 1qrr h PHE 243 CO -0.01 0.72 0.33 0.00 -1.61 0.00 0.00 178.31 177.74 1qrr h VAL 245 N 0.87 1.28 -0.43 0.00 2.07 -1.15 -1.92 116.25 116.97 1qrr h VAL 245 Ca 0.22 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1qrr h VAL 245 Cb 0.07 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1qrr h VAL 245 CO -0.03 0.47 0.16 1.56 0.02 0.00 0.00 177.57 179.75 1qrr h GLN 246 N 0.63 0.65 -0.47 1.57 4.20 -0.56 -1.92 115.11 119.21 1qrr h GLN 246 Ca 0.07 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1qrr h GLN 246 Cb 0.81 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1qrr h GLN 246 CO 0.07 0.61 0.27 0.00 -0.67 0.00 0.00 178.83 179.12 1qrr h ALA 247 N 1.00 0.59 -0.39 3.87 0.00 -0.60 0.92 119.26 124.66 1qrr h ALA 247 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1qrr h ALA 247 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qrr h ALA 247 CO -0.01 -0.04 0.17 0.00 0.00 0.00 0.00 179.25 179.37 1qrr h ALA 248 N 1.21 1.58 -0.04 0.00 0.00 -1.03 -2.51 119.26 118.48 1qrr h ALA 248 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qrr h ALA 248 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1qrr h ALA 248 CO -0.09 0.34 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1qrr n VAL 249 N -4.40 0.02 -1.02 0.00 0.24 -0.75 -4.79 118.33 107.63 1qrr n VAL 249 Ca 0.03 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1qrr n VAL 249 Cb 0.13 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1qrr n VAL 249 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qrr n GLY 250 N 1.27 0.40 3.78 7.63 0.00 -0.57 -5.04 105.19 112.66 1qrr n GLY 250 Ca 0.16 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1qrr n GLY 250 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qrr s HIS 251 N -2.00 3.59 0.47 1.61 5.65 0.21 -4.96 115.29 119.86 1qrr s HIS 251 Ca 0.00 0.83 -0.24 0.00 0.25 0.00 0.00 55.06 55.90 1qrr s HIS 251 Cb 0.00 -2.36 -0.08 0.00 -1.18 0.00 0.00 32.58 28.96 1qrr s HIS 251 CO 0.00 0.40 1.30 -2.30 -0.65 0.00 0.00 174.74 173.49 1qrr n PRO 252 N 2.83 1.87 -1.85 2.88 -0.02 -1.26 -4.08 135.00 135.36 1qrr n PRO 252 Ca -0.12 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1qrr n PRO 252 Cb 0.52 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1qrr n PRO 252 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qrr s LEU 253 N -2.28 4.38 -1.07 2.45 1.43 0.16 -4.69 118.68 119.06 1qrr s LEU 253 Ca 0.64 2.55 -0.22 0.00 -1.03 0.00 0.00 54.13 56.07 1qrr s LEU 253 Cb -0.47 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.25 1qrr s LEU 253 CO 0.55 -0.94 1.50 0.42 0.23 0.00 0.00 176.35 178.11 1qrr s THR 254 N 3.06 3.97 -0.32 5.49 -4.23 -1.26 -1.29 115.64 121.05 1qrr s THR 254 Ca 0.77 -0.98 -0.24 0.00 -1.18 0.00 0.00 61.69 60.06 1qrr s THR 254 Cb -0.41 -5.08 0.00 0.00 1.34 0.00 0.00 72.50 68.35 1qrr s THR 254 CO 0.34 -1.95 0.80 -0.69 -0.54 0.00 0.00 174.62 172.58 1qrr s VAL 255 N 4.82 4.77 -0.13 2.29 1.01 -0.56 -4.89 120.40 127.71 1qrr s VAL 255 Ca 0.47 1.15 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 1qrr s VAL 255 Cb 0.01 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1qrr s VAL 255 CO -0.07 -0.29 1.04 -0.31 0.00 0.00 0.00 175.10 175.47 1qrr s TYR 256 N 3.01 3.42 0.00 5.22 2.02 -1.26 -0.44 117.35 129.33 1qrr s TYR 256 Ca 0.33 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.54 1qrr s TYR 256 Cb -0.14 -3.24 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 1qrr s TYR 256 CO 0.13 -0.42 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 1qrr n GLY 257 N 3.18 1.15 0.28 0.71 0.00 -0.49 -2.86 105.19 107.16 1qrr n GLY 257 Ca 0.10 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.66 1qrr n GLY 257 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qrr h LYS 258 N 0.00 0.00 0.00 1.61 1.57 -1.89 -3.44 116.57 114.42 1qrr h LYS 258 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qrr h LYS 258 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1qrr h LYS 258 CO 0.00 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.32 1qrr n GLY 259 N -1.27 0.71 0.12 3.86 0.00 -1.14 -4.88 105.19 102.59 1qrr n GLY 259 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1qrr n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qrr n GLY 260 N -2.51 -0.87 3.66 -0.02 0.00 -0.25 -1.14 105.19 104.07 1qrr n GLY 260 Ca 0.00 -0.26 -0.48 0.00 0.00 0.00 0.00 46.02 45.28 1qrr n GLY 260 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qrr n GLN 261 N -0.85 2.10 -4.66 1.61 3.00 -1.20 -4.48 117.38 112.90 1qrr n GLN 261 Ca 0.18 0.76 -0.33 0.00 -0.01 0.00 0.00 57.00 57.59 1qrr n GLN 261 Cb 0.23 -2.66 -0.12 0.00 0.00 0.00 0.00 30.24 27.69 1qrr n GLN 261 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1qrr s THR 262 N 4.49 3.51 0.19 5.09 2.01 -1.26 -1.51 115.64 128.16 1qrr s THR 262 Ca 0.94 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 62.32 1qrr s THR 262 Cb -0.69 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1qrr s THR 262 CO 0.51 0.57 0.31 -0.13 -0.69 0.00 0.00 174.62 175.18 1qrr s ARG 263 N -0.42 1.26 0.22 4.92 1.81 -0.69 -4.97 118.95 121.07 1qrr s ARG 263 Ca 0.06 -1.26 -0.14 0.00 -1.72 0.00 0.00 55.73 52.67 1qrr s ARG 263 Cb -0.12 0.38 -0.08 0.00 -0.45 0.00 0.00 34.95 34.68 1qrr s ARG 263 CO 0.02 -0.47 0.62 0.20 -0.68 0.00 0.00 175.30 174.99 1qrr s GLY 264 N -3.01 2.41 0.12 -3.53 0.00 -1.26 -0.95 107.32 101.09 1qrr s GLY 264 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.87 1qrr s GLY 264 CO 0.04 0.15 -0.06 -0.19 0.00 0.00 0.00 173.10 173.04 1qrr s TYR 265 N -1.69 1.01 -0.10 1.90 1.51 0.22 -0.89 117.35 119.31 1qrr s TYR 265 Ca 0.45 -0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1qrr s TYR 265 Cb -0.13 -0.56 0.08 0.00 -0.11 0.00 0.00 41.96 41.23 1qrr s TYR 265 CO 0.20 -0.11 0.72 -0.48 -1.11 0.00 0.00 175.55 174.77 1qrr s LEU 266 N -3.09 -0.64 0.40 -1.29 2.34 -0.71 -0.98 118.68 114.72 1qrr s LEU 266 Ca 0.14 0.81 -0.26 0.00 0.06 0.00 0.00 54.13 54.88 1qrr s LEU 266 Cb 0.05 2.45 -0.08 0.00 -0.56 0.00 0.00 46.19 48.04 1qrr s LEU 266 CO -0.03 -0.52 1.22 -0.62 -1.06 0.00 0.00 176.35 175.35 1qrr s ASP 267 N -0.91 6.43 0.59 1.48 3.68 -1.26 -1.77 116.67 124.91 1qrr s ASP 267 Ca -0.08 2.47 0.30 0.00 2.13 0.00 0.00 52.55 57.37 1qrr s ASP 267 Cb -0.01 -2.62 1.78 0.00 -1.45 0.00 0.00 42.92 40.62 1qrr s ASP 267 CO 0.07 -0.75 2.21 -0.29 0.13 0.00 0.00 175.17 176.54 1qrr h ILE 268 N 2.38 0.49 0.00 4.11 2.10 -1.52 0.16 117.51 125.24 1qrr h ILE 268 Ca -0.49 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.39 1qrr h ILE 268 Cb 1.24 0.94 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1qrr h ILE 268 CO 0.62 0.00 -0.28 0.03 -1.08 0.00 0.00 178.15 177.44 1qrr h ARG 269 N 0.00 0.00 0.00 2.19 3.08 -1.85 -1.79 114.38 116.01 1qrr h ARG 269 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1qrr h ARG 269 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1qrr h ARG 269 CO -0.00 0.28 -0.47 -0.44 -1.07 0.00 0.00 179.97 178.27 1qrr h ASP 270 N 0.00 0.00 0.27 7.04 3.45 -1.05 -2.96 116.42 123.17 1qrr h ASP 270 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 1qrr h ASP 270 Cb 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1qrr h ASP 270 CO 0.04 0.13 -0.13 0.74 -1.57 0.00 0.00 179.24 178.45 1qrr h THR 271 N 0.00 0.78 -0.30 0.35 2.02 -0.93 0.71 112.91 115.53 1qrr h THR 271 Ca -0.01 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 1qrr h THR 271 Cb 1.12 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1qrr h THR 271 CO 0.02 0.07 -0.08 -0.37 0.37 0.00 0.00 175.52 175.52 1qrr h VAL 272 N -0.53 1.22 -0.12 3.16 -1.51 -1.58 -1.73 116.25 115.17 1qrr h VAL 272 Ca -0.04 -0.92 -0.02 0.00 -1.23 0.00 0.00 66.70 64.49 1qrr h VAL 272 Cb 0.39 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1qrr h VAL 272 CO 0.06 0.31 0.01 -0.61 -1.23 0.00 0.00 177.57 176.11 1qrr h GLN 273 N 0.46 0.20 -0.79 5.19 4.15 -1.35 -2.25 115.11 120.72 1qrr h GLN 273 Ca 0.09 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1qrr h GLN 273 Cb 0.43 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 1qrr h GLN 273 CO 0.02 0.42 0.38 0.00 -1.93 0.00 0.00 178.83 177.72 1qrr h VAL 275 N 1.12 1.26 -0.83 0.00 2.07 -1.29 -1.37 116.25 117.21 1qrr h VAL 275 Ca 0.27 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1qrr h VAL 275 Cb 0.12 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1qrr h VAL 275 CO -0.03 0.36 0.40 -0.08 0.02 0.00 0.00 177.57 178.24 1qrr h GLU 276 N 0.78 1.19 -0.73 1.57 4.22 -0.94 -1.02 114.58 119.64 1qrr h GLU 276 Ca 0.16 -0.17 -0.05 0.00 0.08 0.00 0.00 59.36 59.37 1qrr h GLU 276 Cb 0.46 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1qrr h GLU 276 CO 0.02 0.91 0.25 0.82 -2.18 0.00 0.00 179.01 178.82 1qrr h ILE 277 N 1.17 1.26 -0.47 2.32 2.04 -0.94 0.89 117.51 123.78 1qrr h ILE 277 Ca 0.28 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 1qrr h ILE 277 Cb 0.11 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1qrr h ILE 277 CO -0.04 0.35 0.03 0.00 0.00 0.00 0.00 178.15 178.49 1qrr h ALA 278 N 1.12 1.17 -0.12 1.87 0.00 -0.71 -0.70 119.26 121.89 1qrr h ALA 278 Ca 0.24 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1qrr h ALA 278 Cb 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qrr h ALA 278 CO -0.01 0.55 -0.46 0.82 0.00 0.00 0.00 179.25 180.14 1qrr h ILE 279 N 0.72 1.36 0.00 0.00 2.04 -0.79 -3.20 117.51 117.64 1qrr h ILE 279 Ca 0.15 -1.77 -0.08 0.00 1.00 0.00 0.00 64.86 64.17 1qrr h ILE 279 Cb 0.40 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1qrr h ILE 279 CO 0.01 0.53 -0.36 0.00 0.00 0.00 0.00 178.15 178.34 1qrr h ALA 280 N 0.50 1.38 -2.88 1.87 0.00 -0.65 -3.30 119.26 116.18 1qrr h ALA 280 Ca -0.02 -0.33 -0.61 0.00 0.00 0.00 0.00 54.91 53.95 1qrr h ALA 280 Cb 1.09 -0.06 -0.42 0.00 0.00 0.00 0.00 17.79 18.41 1qrr h ALA 280 CO 0.10 0.45 -0.61 0.09 0.00 0.00 0.00 179.25 179.27 1qrr n ASN 281 N -4.07 2.84 -4.74 0.00 3.02 -0.28 -5.08 115.26 106.95 1qrr n ASN 281 Ca -0.02 -3.18 -0.31 0.00 -0.03 0.00 0.00 54.58 51.04 1qrr n ASN 281 Cb 0.40 -0.73 0.11 0.00 -0.61 0.00 0.00 39.78 38.95 1qrr n ASN 281 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1qrr s PRO 282 N -1.51 1.95 0.63 3.52 0.04 -1.21 -4.71 135.00 133.71 1qrr s PRO 282 Ca 0.28 1.30 -0.14 0.00 0.04 0.00 0.00 61.00 62.48 1qrr s PRO 282 Cb -0.00 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1qrr s PRO 282 CO -0.15 -1.89 1.06 0.00 0.04 0.00 0.00 177.00 176.06 1qrr s ALA 283 N -2.78 2.71 0.59 8.56 0.00 -1.26 -5.04 121.76 124.53 1qrr s ALA 283 Ca 0.63 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.83 1qrr s ALA 283 Cb -0.19 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1qrr s ALA 283 CO 0.55 -0.95 0.90 0.15 0.00 0.00 0.00 175.76 176.41 1qrr s LYS 284 N -4.39 2.93 0.21 0.00 -0.14 -1.26 -4.83 119.74 112.26 1qrr s LYS 284 Ca 0.62 -0.00 -0.32 0.00 -1.36 0.00 0.00 55.97 54.90 1qrr s LYS 284 Cb -0.15 -2.27 -0.13 0.00 -1.68 0.00 0.00 37.83 33.59 1qrr s LYS 284 CO 0.43 -0.69 1.54 0.00 -0.76 0.00 0.00 175.35 175.86 1qrr n ALA 285 N -2.58 1.59 -0.94 5.17 0.00 -1.26 -1.07 120.51 121.42 1qrr n ALA 285 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1qrr n ALA 285 Cb 0.58 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1qrr n ALA 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qrr n GLY 286 N 2.88 0.81 3.78 0.00 0.00 -0.12 -4.94 105.19 107.60 1qrr n GLY 286 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1qrr n GLY 286 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qrr s GLU 287 N -0.15 4.04 -0.55 1.61 2.12 -0.23 -4.37 118.70 121.16 1qrr s GLU 287 Ca 0.00 0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.48 1qrr s GLU 287 Cb 0.00 -3.33 0.14 0.00 0.26 0.00 0.00 34.13 31.20 1qrr s GLU 287 CO 0.00 0.44 0.33 0.12 -0.54 0.00 0.00 175.26 175.62 1qrr s PHE 288 N -0.18 3.42 0.35 5.30 5.36 -1.26 -1.60 117.98 129.38 1qrr s PHE 288 Ca 0.19 -2.77 -0.21 0.00 -0.96 0.00 0.00 56.93 53.17 1qrr s PHE 288 Cb -0.14 -3.11 -0.10 0.00 -0.34 0.00 0.00 43.02 39.33 1qrr s PHE 288 CO 0.07 -0.85 0.88 1.03 -1.46 0.00 0.00 175.22 174.88 1qrr s ARG 289 N 0.18 4.30 -0.09 10.12 0.52 -0.13 -4.93 118.95 128.92 1qrr s ARG 289 Ca 0.15 1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 56.42 1qrr s ARG 289 Cb -0.22 -2.51 0.03 0.00 0.52 0.00 0.00 34.95 32.77 1qrr s ARG 289 CO -0.03 0.16 -0.01 0.08 0.02 0.00 0.00 175.30 175.51 1qrr s VAL 290 N -1.88 0.53 -0.08 3.52 1.01 -1.26 0.29 120.40 122.53 1qrr s VAL 290 Ca 0.54 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1qrr s VAL 290 Cb -0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1qrr s VAL 290 CO 0.18 0.25 -0.16 -0.36 0.00 0.00 0.00 175.10 175.02 1qrr s PHE 291 N 1.91 2.68 -0.54 5.22 0.08 -0.32 -4.51 117.98 122.50 1qrr s PHE 291 Ca 0.05 -0.43 -0.22 0.00 0.12 0.00 0.00 56.93 56.45 1qrr s PHE 291 Cb -0.13 -1.69 0.05 0.00 -0.57 0.00 0.00 43.02 40.68 1qrr s PHE 291 CO -0.06 -0.02 0.79 -0.80 -0.10 0.00 0.00 175.22 175.03 1qrr s ASN 292 N -0.27 6.27 -1.00 1.36 0.01 -1.26 -0.83 114.94 119.23 1qrr s ASN 292 Ca 0.01 -0.70 -0.15 0.00 -0.71 0.00 0.00 52.86 51.31 1qrr s ASN 292 Cb -0.13 -2.36 0.18 0.00 0.41 0.00 0.00 41.25 39.35 1qrr s ASN 292 CO 0.03 -1.08 1.12 -1.58 -1.51 0.00 0.00 177.10 174.07 1qrr s GLN 293 N 3.30 3.80 0.16 -0.60 0.74 0.26 -4.74 119.66 122.58 1qrr s GLN 293 Ca 0.22 -2.30 -0.24 0.00 0.05 0.00 0.00 55.36 53.09 1qrr s GLN 293 Cb -0.16 -4.80 0.06 0.00 1.10 0.00 0.00 33.01 29.21 1qrr s GLN 293 CO 0.15 -1.60 0.70 -0.59 -0.55 0.00 0.00 175.29 173.40 1qrr s PHE 294 N 1.36 -0.41 -0.06 1.67 -0.12 -1.26 -0.88 117.98 118.27 1qrr s PHE 294 Ca 0.32 0.15 0.08 0.00 -0.05 0.00 0.00 56.93 57.42 1qrr s PHE 294 Cb -0.06 0.59 -0.11 0.00 -0.63 0.00 0.00 43.02 42.81 1qrr s PHE 294 CO -0.07 -0.88 0.07 0.25 -0.05 0.00 0.00 175.22 174.54 1qrr n THR 295 N -0.38 0.42 -3.81 -4.49 -2.24 -0.15 -4.95 114.28 98.68 1qrr n THR 295 Ca -0.12 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 1qrr n THR 295 Cb 0.63 -0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 1qrr n THR 295 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qrr s GLU 296 N -2.30 0.72 -0.15 -0.78 2.02 -1.00 -4.99 118.70 112.22 1qrr s GLU 296 Ca -0.04 -0.53 -0.06 0.00 0.02 0.00 0.00 54.97 54.36 1qrr s GLU 296 Cb 0.03 0.31 -0.04 0.00 0.10 0.00 0.00 34.13 34.53 1qrr s GLU 296 CO 0.34 -0.21 0.07 -0.65 0.02 0.00 0.00 175.26 174.83 1qrr s GLN 297 N -2.38 3.63 0.00 1.61 -0.21 -1.26 0.71 119.66 121.77 1qrr s GLN 297 Ca -0.06 -0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.00 1qrr s GLN 297 Cb -0.02 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.87 1qrr s GLN 297 CO -0.03 0.49 0.02 -0.06 -2.12 0.00 0.00 175.29 173.59 1qrr s PHE 298 N -0.25 0.10 0.41 0.91 0.08 -0.13 -4.96 117.98 114.13 1qrr s PHE 298 Ca 0.08 -0.19 -0.00 0.00 0.12 0.00 0.00 56.93 56.94 1qrr s PHE 298 Cb -0.12 -0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.23 1qrr s PHE 298 CO 0.01 -0.12 0.63 -1.54 -0.10 0.00 0.00 175.22 174.10 1qrr s SER 299 N -0.76 6.10 0.23 1.36 1.04 -1.26 -1.71 113.70 118.70 1qrr s SER 299 Ca -0.08 0.44 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 1qrr s SER 299 Cb -0.05 -1.85 0.20 0.00 0.10 0.00 0.00 66.02 64.42 1qrr s SER 299 CO -0.00 -0.50 1.85 0.58 0.98 0.00 0.00 173.24 176.15 1qrr h VAL 300 N 0.54 1.25 -0.80 5.02 2.07 -0.86 -1.85 116.25 121.62 1qrr h VAL 300 Ca -0.48 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1qrr h VAL 300 Cb 1.23 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1qrr h VAL 300 CO 0.60 0.28 0.44 0.78 0.02 0.00 0.00 177.57 179.69 1qrr h ASN 301 N 1.22 0.98 -0.53 0.57 2.35 -1.43 -0.45 115.58 118.29 1qrr h ASN 301 Ca 0.31 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1qrr h ASN 301 Cb 0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1qrr h ASN 301 CO -0.05 0.78 0.15 -0.33 -1.65 0.00 0.00 177.43 176.33 1qrr h GLU 302 N 1.11 0.83 -0.70 0.81 5.08 -1.67 -1.62 114.58 118.41 1qrr h GLU 302 Ca 0.28 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1qrr h GLU 302 Cb 0.01 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1qrr h GLU 302 CO -0.05 0.77 0.24 -0.07 -1.00 0.00 0.00 179.01 178.90 1qrr h LEU 303 N 0.73 0.99 -0.37 1.33 3.38 -0.79 -1.41 115.31 119.17 1qrr h LEU 303 Ca 0.17 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1qrr h LEU 303 Cb 0.30 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1qrr h LEU 303 CO -0.00 0.91 0.20 0.00 0.09 0.00 0.00 178.44 179.64 1qrr h ALA 304 N 1.23 0.46 -0.42 1.53 0.00 -0.67 -0.83 119.26 120.56 1qrr h ALA 304 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1qrr h ALA 304 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1qrr h ALA 304 CO -0.01 -0.15 0.17 0.77 0.00 0.00 0.00 179.25 180.03 1qrr h SER 305 N 0.41 0.57 -0.49 0.00 0.02 -0.93 -1.37 113.55 111.77 1qrr h SER 305 Ca 0.15 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1qrr h SER 305 Cb 0.03 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1qrr h SER 305 CO -0.08 0.58 0.29 -0.07 -1.14 0.00 0.00 176.83 176.40 1qrr h LEU 306 N 0.53 0.58 -0.79 5.07 3.38 -0.97 -0.39 115.31 122.73 1qrr h LEU 306 Ca 0.14 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1qrr h LEU 306 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1qrr h LEU 306 CO -0.01 0.47 -0.19 0.58 0.09 0.00 0.00 178.44 179.37 1qrr h VAL 307 N 0.65 1.26 -0.14 1.22 2.07 -1.07 -0.55 116.25 119.70 1qrr h VAL 307 Ca 0.17 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1qrr h VAL 307 Cb -0.01 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1qrr h VAL 307 CO -0.03 0.42 0.04 0.74 0.02 0.00 0.00 177.57 178.76 1qrr h THR 308 N 0.63 1.18 -0.57 2.57 2.02 -0.89 0.40 112.91 118.25 1qrr h THR 308 Ca 0.10 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1qrr h THR 308 Cb 0.67 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1qrr h THR 308 CO 0.05 0.16 0.32 0.11 0.37 0.00 0.00 175.52 176.54 1qrr h LYS 309 N 0.05 0.78 -0.55 6.66 1.57 -0.93 -0.19 116.57 123.96 1qrr h LYS 309 Ca 0.05 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1qrr h LYS 309 Cb 0.22 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1qrr h LYS 309 CO -0.00 0.59 -0.04 0.00 -0.57 0.00 0.00 179.45 179.42 1qrr h ALA 310 N 1.15 0.88 -0.00 3.86 0.00 -0.93 -2.76 119.26 121.46 1qrr h ALA 310 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1qrr h ALA 310 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1qrr h ALA 310 CO -0.03 0.65 -0.39 0.78 0.00 0.00 0.00 179.25 180.26 1qrr h GLY 311 N 0.98 0.00 0.98 0.00 0.00 0.25 -2.90 103.07 102.38 1qrr h GLY 311 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1qrr h GLY 311 CO 0.04 0.00 0.26 0.23 0.00 0.00 0.00 176.54 177.07 1qrr h SER 312 N 0.00 0.56 0.00 0.19 0.87 -0.74 0.97 113.55 115.39 1qrr h SER 312 Ca -0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1qrr h SER 312 Cb 0.69 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1qrr h SER 312 CO 0.05 0.47 0.04 0.11 -0.53 0.00 0.00 176.83 176.97 1qrr h LYS 313 N 0.60 0.00 -0.27 2.24 1.57 -1.44 0.59 116.57 119.86 1qrr h LYS 313 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1qrr h LYS 313 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1qrr h LYS 313 CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 1qrr n LEU 314 N -2.54 3.02 -3.77 2.94 4.77 -0.55 -4.99 117.00 115.88 1qrr n LEU 314 Ca -0.02 -2.30 -0.24 0.00 -0.03 0.00 0.00 56.01 53.42 1qrr n LEU 314 Cb 0.09 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1qrr n LEU 314 CO 0.13 0.69 -0.03 0.61 -1.33 0.00 0.00 177.39 177.46 1qrr n GLY 315 N 0.05 -0.34 0.05 -0.72 0.00 0.21 -4.90 105.19 99.53 1qrr n GLY 315 Ca 0.13 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.40 1qrr n GLY 315 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qrr n LEU 316 N -4.40 0.87 -4.00 0.99 4.77 0.23 -4.99 117.00 110.47 1qrr n LEU 316 Ca -0.21 -0.31 -0.37 0.00 -0.03 0.00 0.00 56.01 55.10 1qrr n LEU 316 Cb 0.64 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1qrr n LEU 316 CO 0.71 0.21 -0.21 -0.67 -1.33 0.00 0.00 177.39 176.10 1qrr n ASP 317 N -1.36 -2.95 -4.74 -1.43 4.64 -1.26 -4.83 116.55 104.62 1qrr n ASP 317 Ca 0.05 -1.18 -0.42 0.00 -1.38 0.00 0.00 54.79 51.87 1qrr n ASP 317 Cb 0.34 -2.31 -0.02 0.00 -1.04 0.00 0.00 41.12 38.09 1qrr n ASP 317 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1qrr s VAL 318 N -3.73 2.21 0.26 5.18 1.01 -1.26 -5.02 120.40 119.05 1qrr s VAL 318 Ca 0.33 0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.57 1qrr s VAL 318 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1qrr s VAL 318 CO 0.94 0.02 -0.06 -0.54 0.00 0.00 0.00 175.10 175.46 1qrr s LYS 319 N 0.21 2.13 0.18 2.72 -0.14 -1.26 -4.97 119.74 118.62 1qrr s LYS 319 Ca 0.67 -1.48 0.11 0.00 -1.36 0.00 0.00 55.97 53.90 1qrr s LYS 319 Cb -0.47 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 1qrr s LYS 319 CO 0.41 0.36 -0.22 0.15 -0.76 0.00 0.00 175.35 175.28 1qrr s LYS 320 N -3.55 1.45 -0.02 1.68 1.02 -1.26 0.36 119.74 119.41 1qrr s LYS 320 Ca 0.30 -1.49 -0.07 0.00 0.02 0.00 0.00 55.97 54.73 1qrr s LYS 320 Cb -0.06 -1.70 0.01 0.00 -0.52 0.00 0.00 37.83 35.55 1qrr s LYS 320 CO 0.18 0.36 0.16 0.00 -0.92 0.00 0.00 175.35 175.14 1qrr s MET 321 N -2.68 0.39 -0.36 1.68 0.23 -0.41 -4.75 119.30 113.40 1qrr s MET 321 Ca 0.19 -0.15 -0.15 0.00 -1.03 0.00 0.00 55.69 54.55 1qrr s MET 321 Cb -0.07 0.17 -0.00 0.00 -1.53 0.00 0.00 34.83 33.39 1qrr s MET 321 CO 0.09 -0.08 0.35 0.99 -2.03 0.00 0.00 175.02 174.34 1qrr s THR 322 N -0.83 5.18 -0.18 3.16 2.01 -1.26 -1.49 115.64 122.23 1qrr s THR 322 Ca -0.09 -0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 1qrr s THR 322 Cb -0.05 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1qrr s THR 322 CO 0.01 -0.15 0.26 -0.69 -0.69 0.00 0.00 174.62 173.36 1qrr s VAL 323 N 1.97 5.32 -0.11 3.82 1.01 0.42 -4.94 120.40 127.89 1qrr s VAL 323 Ca 0.10 0.46 -0.36 0.00 0.00 0.00 0.00 61.98 62.19 1qrr s VAL 323 Cb -0.17 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.48 1qrr s VAL 323 CO 0.12 0.38 1.80 -2.65 0.00 0.00 0.00 175.10 174.75 1qrr n PRO 324 N 3.72 1.87 -1.62 2.72 -0.02 -1.26 -1.40 135.00 139.01 1qrr n PRO 324 Ca -0.13 0.68 -0.46 0.00 -2.02 0.00 0.00 63.50 61.57 1qrr n PRO 324 Cb 0.52 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 1qrr n PRO 324 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1qrr n ASN 325 N 5.89 3.34 0.21 2.55 2.85 -1.26 -4.77 115.26 124.08 1qrr n ASN 325 Ca 0.23 0.70 0.14 0.00 -0.11 0.00 0.00 54.58 55.55 1qrr n ASN 325 Cb 0.25 -1.42 0.48 0.00 1.24 0.00 0.00 39.78 40.32 1qrr n ASN 325 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1qrr h PRO 326 N 11.28 0.00 -6.29 1.20 0.13 -1.87 -3.45 132.00 133.00 1qrr h PRO 326 Ca -0.44 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 1qrr h PRO 326 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1qrr h PRO 326 CO 0.96 0.00 -0.34 1.03 -0.23 0.00 0.00 178.00 179.42 1qrr s ARG 327 N -3.41 3.46 -0.34 0.86 0.52 -1.26 -0.79 118.95 117.99 1qrr s ARG 327 Ca 0.04 -0.57 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 1qrr s ARG 327 Cb 0.08 -2.81 0.01 0.00 0.52 0.00 0.00 34.95 32.74 1qrr s ARG 327 CO 0.56 0.34 0.18 0.08 0.02 0.00 0.00 175.30 176.48 1qrr s VAL 328 N -2.07 4.67 -0.01 3.52 1.01 -1.26 -4.96 120.40 121.31 1qrr s VAL 328 Ca 0.36 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 1qrr s VAL 328 Cb -0.09 -3.47 0.10 0.00 0.00 0.00 0.00 36.38 32.92 1qrr s VAL 328 CO 0.31 -0.06 1.03 -1.83 0.00 0.00 0.00 175.10 174.56 1qrr s GLU 329 N 1.60 0.74 0.02 2.72 -1.05 -1.26 -4.97 118.70 116.50 1qrr s GLU 329 Ca 0.04 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 54.22 1qrr s GLU 329 Cb -0.18 0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.76 1qrr s GLU 329 CO 0.07 -0.33 1.16 0.00 0.95 0.00 0.00 175.26 177.11 1qrr s ALA 330 N -2.90 3.37 -2.73 -0.84 0.00 -1.26 -4.90 121.76 112.50 1qrr s ALA 330 Ca 0.09 0.74 0.24 0.00 0.00 0.00 0.00 51.96 53.03 1qrr s ALA 330 Cb -0.00 -3.44 0.39 0.00 0.00 0.00 0.00 23.12 20.07 1qrr s ALA 330 CO -0.05 -0.47 1.38 0.39 0.00 0.00 0.00 175.76 177.01 1qrr n GLU 331 N 4.22 2.29 -3.63 0.00 1.02 -1.26 -4.43 120.64 118.85 1qrr n GLU 331 Ca 0.09 -1.91 -0.05 0.00 -0.02 0.00 0.00 57.16 55.27 1qrr n GLU 331 Cb 0.47 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 1qrr n GLU 331 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1qrr s GLU 332 N -1.81 0.45 0.12 3.49 2.12 -1.26 -1.09 118.70 120.71 1qrr s GLU 332 Ca 0.33 1.22 -0.25 0.00 0.36 0.00 0.00 54.97 56.63 1qrr s GLU 332 Cb 0.21 0.58 0.07 0.00 0.26 0.00 0.00 34.13 35.25 1qrr s GLU 332 CO 0.31 -0.25 0.72 -3.38 -0.54 0.00 0.00 175.26 172.13 1qrr s HIS 333 N 2.75 -0.42 0.38 5.30 -3.43 -1.26 -5.03 115.29 113.58 1qrr s HIS 333 Ca -0.03 0.20 -0.25 0.00 -0.80 0.00 0.00 55.06 54.18 1qrr s HIS 333 Cb -0.12 0.57 -0.09 0.00 -1.43 0.00 0.00 32.58 31.51 1qrr s HIS 333 CO -0.16 -0.79 1.08 -0.47 -2.00 0.00 0.00 174.74 172.40 1qrr s TYR 334 N -3.54 3.27 -0.27 0.38 5.04 -1.26 -4.90 117.35 116.07 1qrr s TYR 334 Ca 0.04 1.64 -0.03 0.00 -2.44 0.00 0.00 57.07 56.27 1qrr s TYR 334 Cb -0.02 -3.21 0.16 0.00 0.35 0.00 0.00 41.96 39.24 1qrr s TYR 334 CO -0.09 -0.76 0.52 -0.47 -1.34 0.00 0.00 175.55 173.41 1qrr s TYR 335 N -1.53 -1.26 -0.39 4.97 5.04 -1.26 -4.72 117.35 118.20 1qrr s TYR 335 Ca 0.56 1.50 0.03 0.00 -2.44 0.00 0.00 57.07 56.72 1qrr s TYR 335 Cb -0.25 0.40 0.16 0.00 0.35 0.00 0.00 41.96 42.62 1qrr s TYR 335 CO 0.32 -0.77 0.37 1.21 -1.34 0.00 0.00 175.55 175.34 1qrr s ASN 336 N 2.74 1.30 -0.18 4.32 2.47 -1.26 -5.09 114.94 119.25 1qrr s ASN 336 Ca 0.13 -2.08 -0.14 0.00 0.42 0.00 0.00 52.86 51.19 1qrr s ASN 336 Cb -0.15 0.27 -0.04 0.00 -1.45 0.00 0.00 41.25 39.88 1qrr s ASN 336 CO -0.18 -0.22 0.32 0.00 -3.72 0.00 0.00 177.10 173.30 1qrr s ALA 337 N 0.96 3.57 0.33 1.71 0.00 -1.26 -1.31 121.76 125.77 1qrr s ALA 337 Ca 0.22 -0.51 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 1qrr s ALA 337 Cb -0.11 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.44 1qrr s ALA 337 CO -0.06 -0.08 1.10 0.21 0.00 0.00 0.00 175.76 176.92 1qrr s LYS 338 N 0.83 4.43 -0.40 0.00 2.47 0.73 -4.94 119.74 122.86 1qrr s LYS 338 Ca 0.17 1.73 0.07 0.00 -1.56 0.00 0.00 55.97 56.38 1qrr s LYS 338 Cb -0.14 -2.94 0.17 0.00 -1.46 0.00 0.00 37.83 33.46 1qrr s LYS 338 CO 0.06 0.04 0.57 -3.38 0.16 0.00 0.00 175.35 172.80 1qrr s HIS 339 N -1.33 -1.36 0.00 4.03 -3.43 -1.26 -4.56 115.29 107.37 1qrr s HIS 339 Ca 0.50 -0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.73 1qrr s HIS 339 Cb -0.29 0.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.99 1qrr s HIS 339 CO 0.37 -1.13 0.00 0.25 -2.00 0.00 0.00 174.74 172.24 1qrr n THR 340 N 4.36 0.00 -0.15 -5.38 -2.24 -1.26 -4.78 114.28 104.82 1qrr n THR 340 Ca 0.11 -0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1qrr n THR 340 Cb 0.54 0.20 0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1qrr n THR 340 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qrr h LYS 341 N 0.00 0.37 -0.14 -0.78 1.57 -1.94 0.24 116.57 115.89 1qrr h LYS 341 Ca 0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1qrr h LYS 341 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1qrr h LYS 341 CO 0.00 0.24 -0.57 -0.07 -0.57 0.00 0.00 179.45 178.48 1qrr h LEU 342 N 0.38 0.48 -0.77 2.94 3.38 -1.89 -2.45 115.31 117.37 1qrr h LEU 342 Ca 0.22 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1qrr h LEU 342 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1qrr h LEU 342 CO -0.20 0.94 0.10 0.24 0.09 0.00 0.00 178.44 179.61 1qrr h MET 343 N 0.32 1.02 0.00 1.13 2.86 -1.72 -1.58 114.93 116.96 1qrr h MET 343 Ca 0.00 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 1qrr h MET 343 Cb 1.09 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1qrr h MET 343 CO 0.10 0.95 -0.19 0.93 1.06 0.00 0.00 176.91 179.76 1qrr h GLU 344 N 0.96 0.00 -0.41 1.72 5.08 -0.33 -1.74 114.58 119.86 1qrr h GLU 344 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1qrr h GLU 344 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1qrr h GLU 344 CO 0.01 0.19 0.00 1.28 -1.00 0.00 0.00 179.01 179.49 1qrr n LEU 345 N -3.96 2.06 0.00 1.33 4.77 -0.76 -4.90 117.00 115.54 1qrr n LEU 345 Ca -0.02 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1qrr n LEU 345 Cb 0.27 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1qrr n LEU 345 CO 0.34 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1qrr n GLY 346 N 0.98 1.03 3.72 -0.72 0.00 -0.66 -5.04 105.19 104.50 1qrr n GLY 346 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1qrr n GLY 346 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qrr s LEU 347 N 0.00 4.37 -0.57 0.99 2.96 -0.67 -4.95 118.68 120.81 1qrr s LEU 347 Ca 0.00 2.87 -0.02 0.00 -0.22 0.00 0.00 54.13 56.76 1qrr s LEU 347 Cb 0.00 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.24 1qrr s LEU 347 CO 0.00 -0.97 0.37 -1.61 -1.32 0.00 0.00 176.35 172.82 1qrr s GLU 348 N 1.13 2.37 0.58 1.98 2.02 -1.26 -4.77 118.70 120.75 1qrr s GLU 348 Ca 0.74 -2.40 -0.19 0.00 0.02 0.00 0.00 54.97 53.15 1qrr s GLU 348 Cb -0.50 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 1qrr s GLU 348 CO 0.32 -1.14 1.17 -1.25 0.02 0.00 0.00 175.26 174.39 1qrr s PRO 349 N 0.15 3.06 -0.81 0.39 0.04 -1.26 -5.00 135.00 131.58 1qrr s PRO 349 Ca 0.15 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.87 1qrr s PRO 349 Cb -0.21 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 32.58 1qrr s PRO 349 CO -0.03 -1.11 0.68 -1.01 0.04 0.00 0.00 177.00 175.57 1qrr s HIS 350 N -1.71 3.73 0.57 0.56 3.76 -1.26 -5.07 115.29 115.87 1qrr s HIS 350 Ca 0.75 -2.77 -0.20 0.00 -0.15 0.00 0.00 55.06 52.69 1qrr s HIS 350 Cb -0.27 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 1qrr s HIS 350 CO 0.32 -0.82 1.27 0.71 -0.85 0.00 0.00 174.74 175.37 1qrr s TYR 351 N -0.71 2.34 0.14 1.40 4.12 -1.26 -4.50 117.35 118.88 1qrr s TYR 351 Ca 0.23 1.46 -0.35 0.00 0.02 0.00 0.00 57.07 58.43 1qrr s TYR 351 Cb -0.12 -3.63 -0.15 0.00 -1.52 0.00 0.00 41.96 36.54 1qrr s TYR 351 CO -0.08 -2.53 1.51 -0.11 0.02 0.00 0.00 175.55 174.36 1qrr n LEU 352 N -1.35 2.69 -4.35 -1.29 7.94 -1.26 -4.96 117.00 114.42 1qrr n LEU 352 Ca 0.12 1.09 -0.18 0.00 -1.11 0.00 0.00 56.01 55.94 1qrr n LEU 352 Cb 0.48 -1.36 -0.10 0.00 0.53 0.00 0.00 43.42 42.96 1qrr n LEU 352 CO 0.48 -0.50 -0.25 -0.94 -1.11 0.00 0.00 177.39 175.07 1qrr s SER 353 N 0.79 1.47 0.19 1.96 1.04 -1.26 -5.03 113.70 112.86 1qrr s SER 353 Ca 0.80 -1.40 -0.09 0.00 0.48 0.00 0.00 55.95 55.74 1qrr s SER 353 Cb -0.76 0.14 0.10 0.00 0.10 0.00 0.00 66.02 65.61 1qrr s SER 353 CO 0.40 -0.72 1.71 0.44 0.98 0.00 0.00 173.24 176.05 1qrr h ASP 354 N 2.31 1.03 -0.93 7.02 3.32 -1.99 -1.98 116.42 125.19 1qrr h ASP 354 Ca -0.38 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 1qrr h ASP 354 Cb 1.25 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 1qrr h ASP 354 CO 0.62 0.98 0.57 -1.28 -1.72 0.00 0.00 179.24 178.42 1qrr h SER 355 N 1.02 1.10 -0.04 6.45 0.87 -1.98 0.14 113.55 121.10 1qrr h SER 355 Ca 0.22 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1qrr h SER 355 Cb 0.35 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1qrr h SER 355 CO 0.00 0.83 -0.01 0.25 -0.53 0.00 0.00 176.83 177.37 1qrr h LEU 356 N 1.27 0.08 -0.96 2.23 7.12 -1.88 -1.44 115.31 121.73 1qrr h LEU 356 Ca 0.33 -0.40 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1qrr h LEU 356 Cb -0.08 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 39.99 1qrr h LEU 356 CO -0.07 0.46 0.56 -0.07 -0.13 0.00 0.00 178.44 179.19 1qrr h LEU 357 N -0.30 1.13 -0.49 2.25 3.38 -1.16 0.84 115.31 120.96 1qrr h LEU 357 Ca 0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1qrr h LEU 357 Cb 0.43 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1qrr h LEU 357 CO 0.00 0.87 0.13 -0.78 0.09 0.00 0.00 178.44 178.76 1qrr h ASP 358 N 1.30 0.73 -0.02 -0.43 1.82 -0.69 0.39 116.42 119.51 1qrr h ASP 358 Ca 0.34 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1qrr h ASP 358 Cb -0.05 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 39.77 1qrr h ASP 358 CO -0.06 0.76 0.01 -1.28 -1.61 0.00 0.00 179.24 177.06 1qrr h SER 359 N 0.66 0.03 -0.73 2.28 0.87 -0.71 -1.10 113.55 114.85 1qrr h SER 359 Ca 0.15 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1qrr h SER 359 Cb 0.31 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1qrr h SER 359 CO -0.00 0.23 0.21 0.25 -0.53 0.00 0.00 176.83 176.99 1qrr h LEU 360 N -0.16 1.07 -0.30 2.23 5.85 -0.78 -0.94 115.31 122.28 1qrr h LEU 360 Ca 0.01 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1qrr h LEU 360 Cb 0.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1qrr h LEU 360 CO -0.00 1.01 0.03 -0.07 -0.34 0.00 0.00 178.44 179.07 1qrr h LEU 361 N 1.08 0.49 -1.20 2.25 3.38 -0.87 -1.26 115.31 119.19 1qrr h LEU 361 Ca 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qrr h LEU 361 Cb 0.33 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1qrr h LEU 361 CO -0.00 0.65 0.30 0.78 0.09 0.00 0.00 178.44 180.26 1qrr h ASN 362 N 0.32 0.77 -0.32 -0.43 2.35 -1.04 0.05 115.58 117.28 1qrr h ASN 362 Ca 0.09 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1qrr h ASN 362 Cb 0.38 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1qrr h ASN 362 CO 0.01 0.65 0.15 0.15 -1.65 0.00 0.00 177.43 176.74 1qrr h PHE 363 N 0.86 0.46 -0.63 1.19 3.04 -0.87 -1.49 116.94 119.50 1qrr h PHE 363 Ca 0.21 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 1qrr h PHE 363 Cb 0.08 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 1qrr h PHE 363 CO 0.01 0.41 0.12 0.00 -2.02 0.00 0.00 178.31 176.82 1qrr h ALA 364 N 1.01 1.02 -0.69 2.41 0.00 -0.64 -2.92 119.26 119.45 1qrr h ALA 364 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1qrr h ALA 364 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1qrr h ALA 364 CO -0.01 0.63 0.25 0.28 0.00 0.00 0.00 179.25 180.40 1qrr h VAL 365 N 0.96 1.25 0.00 0.00 2.07 -0.71 0.23 116.25 120.05 1qrr h VAL 365 Ca 0.20 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1qrr h VAL 365 Cb 0.39 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1qrr h VAL 365 CO 0.01 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.92 1qrr n GLN 366 N -4.36 0.21 -0.05 1.57 10.64 -0.59 -2.51 117.38 122.29 1qrr n GLN 366 Ca 0.05 0.36 0.02 0.00 -1.83 0.00 0.00 57.00 55.60 1qrr n GLN 366 Cb 0.19 -1.85 0.05 0.00 -0.86 0.00 0.00 30.24 27.78 1qrr n GLN 366 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1qrr n PHE 367 N -2.22 0.13 -0.01 2.61 3.01 -1.04 -4.73 117.46 115.21 1qrr n PHE 367 Ca 0.03 -0.52 0.23 0.00 1.01 0.00 0.00 57.45 58.20 1qrr n PHE 367 Cb 0.28 -0.05 0.72 0.00 -0.01 0.00 0.00 39.48 40.42 1qrr n PHE 367 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1qrr h LYS 368 N 0.56 0.00 0.00 -1.08 2.10 -0.65 0.12 116.57 117.63 1qrr h LYS 368 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1qrr h LYS 368 Cb 0.59 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1qrr h LYS 368 CO 0.00 0.00 -0.05 -0.44 -2.00 0.00 0.00 179.45 176.96 1qrr h ASP 369 N 0.00 0.00 0.08 7.07 5.19 -1.85 -2.31 116.42 124.61 1qrr h ASP 369 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1qrr h ASP 369 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1qrr h ASP 369 CO -0.00 0.05 -0.14 0.54 -3.12 0.00 0.00 179.24 176.57 1qrr n ARG 370 N -3.28 1.36 -2.58 3.56 1.74 0.43 -4.90 116.66 113.00 1qrr n ARG 370 Ca -0.01 -0.87 -0.43 0.00 -0.77 0.00 0.00 57.85 55.77 1qrr n ARG 370 Cb 0.24 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1qrr n ARG 370 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qrr s VAL 371 N -2.24 4.54 -0.69 1.55 1.01 -0.87 -4.92 120.40 118.78 1qrr s VAL 371 Ca 0.30 1.85 -0.21 0.00 0.00 0.00 0.00 61.98 63.92 1qrr s VAL 371 Cb 0.20 -4.19 0.10 0.00 0.00 0.00 0.00 36.38 32.48 1qrr s VAL 371 CO 0.42 -0.11 0.91 -0.62 0.00 0.00 0.00 175.10 175.70 1qrr s ASP 372 N 1.42 6.27 0.44 3.32 -1.08 -1.26 -4.89 116.67 120.90 1qrr s ASP 372 Ca 0.49 -1.36 0.30 0.00 -0.52 0.00 0.00 52.55 51.47 1qrr s ASP 372 Cb -0.19 -2.37 1.56 0.00 -1.46 0.00 0.00 42.92 40.46 1qrr s ASP 372 CO 0.12 -1.25 1.92 0.71 0.52 0.00 0.00 175.17 177.19 1qrr h THR 373 N 5.91 0.00 0.00 1.71 1.35 -1.97 -1.73 112.91 118.18 1qrr h THR 373 Ca -0.20 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1qrr h THR 373 Cb 1.07 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1qrr h THR 373 CO 1.13 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 176.44 1qrr h LYS 374 N 0.00 0.00 -0.07 4.72 1.57 -1.99 -2.54 116.57 118.25 1qrr h LYS 374 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qrr h LYS 374 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1qrr h LYS 374 CO 0.00 0.07 0.00 1.04 -0.57 0.00 0.00 179.45 179.99 1qrr n GLN 375 N -3.29 1.91 -0.04 3.15 1.13 -0.65 -4.41 117.38 115.18 1qrr n GLN 375 Ca -0.01 -1.33 -0.14 0.00 -1.94 0.00 0.00 57.00 53.58 1qrr n GLN 375 Cb 0.27 -1.46 -0.09 0.00 0.11 0.00 0.00 30.24 29.06 1qrr n GLN 375 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1qrr h ILE 376 N 3.09 1.42 -3.68 5.09 2.04 -1.59 0.20 117.51 124.08 1qrr h ILE 376 Ca 0.00 -1.51 -0.50 0.00 1.00 0.00 0.00 64.86 63.85 1qrr h ILE 376 Cb 0.66 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1qrr h ILE 376 CO 0.00 0.42 0.42 -0.04 0.00 0.00 0.00 178.15 178.95 1qrr s MET 377 N -3.88 4.71 0.26 2.37 -1.94 -1.26 -4.21 119.30 115.35 1qrr s MET 377 Ca -0.15 1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 55.16 1qrr s MET 377 Cb 0.03 -3.27 -0.09 0.00 2.01 0.00 0.00 34.83 33.50 1qrr s MET 377 CO 0.74 0.27 1.20 -1.25 -0.01 0.00 0.00 175.02 175.97 1qrr s PRO 378 N -0.83 4.51 -0.01 2.03 0.04 -1.26 -4.72 135.00 134.76 1qrr s PRO 378 Ca 0.45 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.45 1qrr s PRO 378 Cb -0.28 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1qrr s PRO 378 CO 0.35 -0.01 0.86 -1.13 0.04 0.00 0.00 177.00 177.11 1qrr n SER 379 N 1.57 1.36 -4.31 6.66 3.41 -1.26 -5.00 113.62 116.05 1qrr n SER 379 Ca 0.01 -1.77 -0.37 0.00 -0.26 0.00 0.00 58.87 56.48 1qrr n SER 379 Cb 0.44 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.23 1qrr n SER 379 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qrr s VAL 380 N -0.79 3.86 -0.09 -3.33 1.01 -1.26 -5.09 120.40 114.71 1qrr s VAL 380 Ca 0.02 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1qrr s VAL 380 Cb 0.02 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1qrr s VAL 380 CO 0.00 -0.05 0.45 -0.55 0.00 0.00 0.00 175.10 174.95 1qrr s SER 381 N 1.45 6.70 0.19 3.32 0.15 -1.26 -4.72 113.70 119.53 1qrr s SER 381 Ca 0.00 0.83 -0.09 0.00 0.70 0.00 0.00 55.95 57.40 1qrr s SER 381 Cb -0.18 -2.27 0.10 0.00 -1.71 0.00 0.00 66.02 61.95 1qrr s SER 381 CO 0.02 0.09 1.67 -0.50 1.20 0.00 0.00 173.24 175.73 1qrr h TRP 382 N 6.23 1.18 0.14 3.44 -0.00 -1.28 -3.05 115.95 122.61 1qrr h TRP 382 Ca -0.43 -0.18 -0.30 0.00 -0.00 0.00 0.00 58.89 57.97 1qrr h TRP 382 Cb 1.19 -0.32 0.00 0.00 -0.00 0.00 0.00 29.16 30.03 1qrr h TRP 382 CO 0.64 1.01 -1.45 0.87 -0.00 0.00 0.00 178.44 179.50 1qrr h LYS 383 N 1.02 0.30 -0.10 0.49 1.57 -1.94 -3.34 116.57 114.58 1qrr h LYS 383 Ca 0.19 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1qrr h LYS 383 Cb 0.49 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1qrr h LYS 383 CO 0.02 1.20 0.00 1.63 -0.57 0.00 0.00 179.45 181.73 1qrr n LYS 384 N -3.52 1.36 -1.65 3.15 5.02 -1.23 -4.93 118.16 116.35 1qrr n LYS 384 Ca -0.15 -0.54 -0.48 0.00 -2.02 0.00 0.00 58.31 55.13 1qrr n LYS 384 Cb 1.05 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.71 1qrr n LYS 384 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1qrr n ILE 385 N -0.21 0.07 -4.08 -0.18 3.06 -1.15 -4.96 119.36 111.91 1qrr n ILE 385 Ca 0.13 -0.02 -0.07 0.00 -2.50 0.00 0.00 62.75 60.29 1qrr n ILE 385 Cb 0.18 -1.33 -0.01 0.00 0.54 0.00 0.00 39.64 39.02 1qrr n ILE 385 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1qrr n GLY 386 N 3.08 3.88 0.06 4.50 0.00 -1.26 -4.96 105.19 110.49 1qrr n GLY 386 Ca 0.17 -2.24 0.04 0.00 0.00 0.00 0.00 46.02 43.99 1qrr n GLY 386 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qrr n VAL 387 N -0.37 0.63 -2.23 1.61 0.24 -1.26 -0.43 118.33 116.50 1qrr n VAL 387 Ca -0.04 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.21 1qrr n VAL 387 Cb 0.15 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 1qrr n VAL 387 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1qrr s LYS 388 N -3.15 4.33 -0.10 7.34 3.01 -1.26 -4.45 119.74 125.46 1qrr s LYS 388 Ca -0.06 1.98 -0.29 0.00 -1.01 0.00 0.00 55.97 56.59 1qrr s LYS 388 Cb 0.11 -3.37 -0.06 0.00 -1.01 0.00 0.00 37.83 33.50 1qrr s LYS 388 CO 0.86 -0.44 1.86 0.99 0.51 0.00 0.00 175.35 179.12 1qrr s THR 389 N 1.49 3.31 0.42 2.17 2.01 -1.26 -4.80 115.64 118.98 1qrr s THR 389 Ca 0.63 0.36 -0.22 0.00 0.31 0.00 0.00 61.69 62.77 1qrr s THR 389 Cb -0.34 -3.28 -0.11 0.00 0.01 0.00 0.00 72.50 68.78 1qrr s THR 389 CO 0.29 -0.09 0.96 -1.59 -0.69 0.00 0.00 174.62 173.50 1qrr s LYS 390 N 4.81 4.24 0.00 4.92 -2.85 -1.26 -5.16 119.74 124.44 1qrr s LYS 390 Ca 0.83 1.18 0.04 0.00 -1.00 0.00 0.00 55.97 57.03 1qrr s LYS 390 Cb -0.34 -2.28 0.03 0.00 -2.06 0.00 0.00 37.83 33.18 1qrr s LYS 390 CO 0.35 -0.02 0.63 0.43 0.10 0.00 0.00 175.35 176.83