#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nrr n TYR 5 N 0.00 2.00 -1.69 1.43 4.01 -1.26 -4.88 117.16 116.77 3nrr n TYR 5 Ca 0.00 -1.27 -0.44 0.00 -0.16 0.00 0.00 57.90 56.02 3nrr n TYR 5 Cb 0.00 -0.61 -0.04 0.00 -0.31 0.00 0.00 39.34 38.38 3nrr n TYR 5 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3nrr n GLU 6 N -0.48 2.45 -1.03 -0.72 4.71 -1.26 -1.72 120.64 122.59 3nrr n GLU 6 Ca 0.38 0.89 -0.01 0.00 -0.01 0.00 0.00 57.16 58.40 3nrr n GLU 6 Cb 1.27 -2.71 -0.00 0.00 -1.01 0.00 0.00 31.44 28.98 3nrr n GLU 6 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3nrr n GLY 7 N 3.79 0.49 0.94 0.62 0.00 -1.26 -4.92 105.19 104.85 3nrr n GLY 7 Ca 0.17 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3nrr n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nrr n GLY 9 N -0.56 0.90 3.47 0.00 0.00 -1.26 -4.65 105.19 103.09 3nrr n GLY 9 Ca 0.23 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.99 3nrr n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3nrr n ASP 10 N -2.83 -4.22 -4.86 1.61 2.03 -0.13 -4.96 116.55 103.19 3nrr n ASP 10 Ca 0.14 -0.57 -0.34 0.00 0.52 0.00 0.00 54.79 54.54 3nrr n ASP 10 Cb 0.50 -4.99 -0.06 0.00 -0.72 0.00 0.00 41.12 35.85 3nrr n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3nrr s LEU 11 N -6.74 4.26 -0.16 -2.67 1.43 0.48 -4.79 118.68 110.49 3nrr s LEU 11 Ca 0.29 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3nrr s LEU 11 Cb -0.13 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 3nrr s LEU 11 CO 0.72 0.02 -0.13 -0.89 0.23 0.00 0.00 176.35 176.30 3nrr s THR 12 N -1.62 2.88 -0.05 5.49 2.01 -0.96 -2.80 115.64 120.58 3nrr s THR 12 Ca 0.42 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 3nrr s THR 12 Cb -0.13 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 3nrr s THR 12 CO 0.20 0.50 0.49 -0.63 -0.69 0.00 0.00 174.62 174.49 3nrr s ILE 13 N 0.86 5.06 -0.07 1.82 1.01 -0.88 -0.21 121.20 128.80 3nrr s ILE 13 Ca -0.04 1.00 0.02 0.00 0.00 0.00 0.00 60.65 61.64 3nrr s ILE 13 Cb -0.15 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 3nrr s ILE 13 CO -0.00 0.42 -0.11 -0.36 0.00 0.00 0.00 174.94 174.89 3nrr s PHE 14 N -0.07 2.81 0.08 3.97 0.40 -0.90 -0.11 117.98 124.17 3nrr s PHE 14 Ca 0.27 -0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 56.18 3nrr s PHE 14 Cb -0.16 -1.70 0.07 0.00 0.51 0.00 0.00 43.02 41.73 3nrr s PHE 14 CO 0.13 0.18 0.62 0.54 0.70 0.00 0.00 175.22 177.39 3nrr s VAL 15 N -0.58 0.00 -0.11 -0.44 0.11 -0.46 -4.57 120.40 114.36 3nrr s VAL 15 Ca 0.08 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 3nrr s VAL 15 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3nrr s VAL 15 CO 0.02 -0.01 -0.19 0.00 -3.33 0.00 0.00 175.10 171.58 3nrr s ALA 16 N -2.84 1.93 -0.07 1.54 0.00 -1.26 -1.02 121.76 120.03 3nrr s ALA 16 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3nrr s ALA 16 Cb -0.01 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.30 3nrr s ALA 16 CO -0.05 0.09 -0.11 0.08 0.00 0.00 0.00 175.76 175.77 3nrr s VAL 17 N 0.68 1.09 0.85 0.00 1.01 -0.08 -4.68 120.40 119.26 3nrr s VAL 17 Ca -0.12 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 3nrr s VAL 17 Cb -0.16 -1.01 0.11 0.00 0.00 0.00 0.00 36.38 35.32 3nrr s VAL 17 CO 0.03 0.35 1.20 0.00 0.00 0.00 0.00 175.10 176.68 3nrr s ALA 18 N 0.75 2.49 0.45 5.51 0.00 -0.75 -1.49 121.76 128.73 3nrr s ALA 18 Ca -0.13 -0.74 0.17 0.00 0.00 0.00 0.00 51.96 51.26 3nrr s ALA 18 Cb -0.15 -2.93 1.11 0.00 0.00 0.00 0.00 23.12 21.14 3nrr s ALA 18 CO 0.03 -1.88 2.02 1.25 0.00 0.00 0.00 175.76 177.18 3nrr h LEU 19 N -1.21 0.00 -2.25 0.00 5.85 -0.90 -1.48 115.31 115.33 3nrr h LEU 19 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3nrr h LEU 19 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 3nrr h LEU 19 CO 0.60 0.16 0.00 -0.46 -0.34 0.00 0.00 178.44 178.41 3nrr n ASN 20 N -4.20 3.36 0.00 1.25 6.94 -1.26 -4.92 115.26 116.44 3nrr n ASN 20 Ca -0.02 -2.42 0.00 0.00 -0.02 0.00 0.00 54.58 52.12 3nrr n ASN 20 Cb 0.24 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 3nrr n ASN 20 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3nrr n LYS 21 N 0.41 -0.37 -2.24 -3.83 5.02 -0.56 -5.00 118.16 111.59 3nrr n LYS 21 Ca 0.15 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 56.12 3nrr n LYS 21 Cb 0.70 -3.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.06 3nrr n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3nrr s VAL 22 N -2.19 3.31 0.00 -0.18 1.01 -1.26 -0.73 120.40 120.37 3nrr s VAL 22 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3nrr s VAL 22 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3nrr s VAL 22 CO 0.00 0.15 0.00 2.30 0.00 0.00 0.00 175.10 177.55 3nrr n ILE 23 N 2.83 0.00 -3.75 2.22 -5.35 0.66 -1.81 119.36 114.16 3nrr n ILE 23 Ca 0.07 -0.17 -0.11 0.00 -0.27 0.00 0.00 62.75 62.26 3nrr n ILE 23 Cb 0.43 0.66 -0.07 0.00 -1.74 0.00 0.00 39.64 38.92 3nrr n ILE 23 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3nrr s GLY 24 N -1.52 -0.13 -0.21 3.28 0.00 -1.03 -4.35 107.32 103.37 3nrr s GLY 24 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 44.72 44.64 3nrr s GLY 24 CO 0.00 -0.22 0.46 -1.58 0.00 0.00 0.00 173.10 171.76 3nrr s HIS 25 N -2.64 -0.84 -1.48 1.90 2.46 -0.33 -1.11 115.29 113.25 3nrr s HIS 25 Ca -0.04 1.61 -0.10 0.00 0.47 0.00 0.00 55.06 57.00 3nrr s HIS 25 Cb -0.01 0.37 0.06 0.00 -0.13 0.00 0.00 32.58 32.88 3nrr s HIS 25 CO -0.04 -0.48 0.83 1.63 -2.47 0.00 0.00 174.74 174.22 3nrr n LYS 26 N 5.11 -4.90 -3.26 2.88 5.02 -1.26 -0.92 118.16 120.83 3nrr n LYS 26 Ca -0.13 0.56 -0.23 0.00 -2.02 0.00 0.00 58.31 56.50 3nrr n LYS 26 Cb 0.51 -5.27 0.01 0.00 -0.02 0.00 0.00 35.03 30.26 3nrr n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3nrr n ASN 27 N -2.89 -4.34 -4.18 4.39 5.15 -1.26 -4.98 115.26 107.15 3nrr n ASN 27 Ca -0.08 -0.35 -0.15 0.00 -0.60 0.00 0.00 54.58 53.40 3nrr n ASN 27 Cb 0.58 -3.56 -0.10 0.00 -0.53 0.00 0.00 39.78 36.16 3nrr n ASN 27 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3nrr s GLN 28 N -5.92 1.35 0.25 1.20 -0.21 -0.10 -4.52 119.66 111.72 3nrr s GLN 28 Ca 0.37 -1.73 -0.30 0.00 0.02 0.00 0.00 55.36 53.72 3nrr s GLN 28 Cb -0.19 0.04 -0.09 0.00 1.00 0.00 0.00 33.01 33.77 3nrr s GLN 28 CO 0.45 -0.38 1.31 0.42 -2.12 0.00 0.00 175.29 174.97 3nrr s ILE 29 N -3.91 3.02 -0.20 1.08 -1.09 -1.26 -1.19 121.20 117.65 3nrr s ILE 29 Ca 0.38 0.91 0.24 0.00 -2.23 0.00 0.00 60.65 59.95 3nrr s ILE 29 Cb 0.07 -3.58 0.29 0.00 -1.58 0.00 0.00 42.46 37.66 3nrr s ILE 29 CO 0.14 0.17 1.69 -0.65 -1.23 0.00 0.00 174.94 175.06 3nrr h PRO 30 N 4.61 0.00 -6.19 2.79 0.11 -1.86 -3.45 132.00 128.02 3nrr h PRO 30 Ca -0.46 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.13 3nrr h PRO 30 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3nrr h PRO 30 CO 0.73 0.12 -0.53 1.67 -0.21 0.00 0.00 178.00 179.78 3nrr s TRP 31 N -3.32 2.94 0.63 0.65 -2.14 -1.26 -4.86 118.94 111.58 3nrr s TRP 31 Ca 0.04 -0.21 -0.18 0.00 2.66 0.00 0.00 56.10 58.42 3nrr s TRP 31 Cb 0.07 -1.48 -0.04 0.00 -3.10 0.00 0.00 33.47 28.92 3nrr s TRP 31 CO 0.65 0.44 0.91 -2.30 -2.66 0.00 0.00 176.95 173.99 3nrr n PRO 32 N -1.17 0.75 -1.68 3.25 -0.02 -1.26 -4.88 135.00 129.99 3nrr n PRO 32 Ca -0.06 0.30 -0.46 0.00 -2.02 0.00 0.00 63.50 61.27 3nrr n PRO 32 Cb 0.59 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 3nrr n PRO 32 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3nrr n HIS 33 N -1.95 2.35 -3.74 6.00 -0.00 -1.26 -4.98 115.22 111.64 3nrr n HIS 33 Ca 0.14 0.18 -0.37 0.00 0.46 0.00 0.00 57.72 58.13 3nrr n HIS 33 Cb 0.48 -2.59 -0.11 0.00 -0.12 0.00 0.00 29.99 27.66 3nrr n HIS 33 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3nrr s ILE 34 N 1.53 3.46 0.41 3.57 1.01 -1.26 -4.97 121.20 124.95 3nrr s ILE 34 Ca 0.81 -2.18 0.08 0.00 0.00 0.00 0.00 60.65 59.35 3nrr s ILE 34 Cb -0.65 -3.34 0.27 0.00 0.01 0.00 0.00 42.46 38.75 3nrr s ILE 34 CO 0.39 -0.73 2.05 0.71 0.00 0.00 0.00 174.94 177.36 3nrr h THR 35 N 6.15 1.09 -0.76 2.92 1.35 -2.00 -1.29 112.91 120.37 3nrr h THR 35 Ca -0.12 -0.19 0.04 0.00 -0.55 0.00 0.00 66.41 65.59 3nrr h THR 35 Cb 1.03 0.49 -0.05 0.00 -1.73 0.00 0.00 68.15 67.90 3nrr h THR 35 CO 0.72 0.10 0.48 -0.74 -0.25 0.00 0.00 175.52 175.83 3nrr h HIS 36 N 0.55 0.90 -0.54 4.73 -0.00 -2.00 -1.43 115.15 117.36 3nrr h HIS 36 Ca 0.16 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.50 3nrr h HIS 36 Cb -0.01 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.08 3nrr h HIS 36 CO -0.00 0.50 0.10 0.22 -0.00 0.00 0.00 177.93 178.75 3nrr h ASP 37 N 0.93 0.84 -0.01 3.26 3.58 -1.67 -1.47 116.42 121.87 3nrr h ASP 37 Ca 0.31 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 3nrr h ASP 37 Cb 0.04 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 3nrr h ASP 37 CO -0.12 0.88 -0.11 -0.26 -2.88 0.00 0.00 179.24 176.75 3nrr h PHE 38 N 0.77 0.28 -0.66 0.28 0.04 -1.08 -1.60 116.94 114.97 3nrr h PHE 38 Ca 0.17 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.82 3nrr h PHE 38 Cb 0.39 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3nrr h PHE 38 CO 0.03 0.38 0.09 0.00 -0.60 0.00 0.00 178.31 178.20 3nrr h ARG 39 N 0.26 1.11 -0.00 1.51 3.08 -0.71 -0.50 114.38 119.12 3nrr h ARG 39 Ca 0.05 -0.31 0.02 0.00 0.07 0.00 0.00 59.98 59.81 3nrr h ARG 39 Cb 0.35 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3nrr h ARG 39 CO 0.02 1.03 -0.09 0.35 -1.07 0.00 0.00 179.97 180.20 3nrr h PHE 40 N 1.03 -0.24 -0.10 3.04 3.57 -0.86 0.16 116.94 123.54 3nrr h PHE 40 Ca 0.20 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3nrr h PHE 40 Cb 0.47 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 3nrr h PHE 40 CO 0.03 -0.14 -0.11 1.25 -2.23 0.00 0.00 178.31 177.11 3nrr h LEU 41 N -0.16 -0.36 -0.48 0.59 5.85 -1.17 -0.38 115.31 119.20 3nrr h LEU 41 Ca 0.04 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3nrr h LEU 41 Cb 0.21 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3nrr h LEU 41 CO -0.10 -0.16 0.22 -0.09 -0.34 0.00 0.00 178.44 177.97 3nrr h ARG 42 N -0.15 0.71 -0.41 1.25 2.43 -0.83 -0.87 114.38 116.51 3nrr h ARG 42 Ca 0.08 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3nrr h ARG 42 Cb 0.26 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3nrr h ARG 42 CO -0.19 0.61 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.96 3nrr h ASN 43 N 0.64 0.71 -0.40 -3.80 2.35 -0.58 -1.94 115.58 112.56 3nrr h ASN 43 Ca 0.16 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.52 3nrr h ASN 43 Cb 0.15 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3nrr h ASN 43 CO -0.02 0.85 -0.02 1.23 -1.65 0.00 0.00 177.43 177.83 3nrr h GLY 44 N 0.55 0.87 0.55 2.83 0.00 -0.84 -3.08 103.07 103.96 3nrr h GLY 44 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3nrr h GLY 44 CO 0.02 0.55 -0.61 -1.30 0.00 0.00 0.00 176.54 175.21 3nrr n THR 45 N -4.20 0.00 0.66 4.70 -2.24 -0.35 -3.92 114.28 108.92 3nrr n THR 45 Ca 0.02 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 3nrr n THR 45 Cb 0.31 0.52 0.07 0.00 -2.10 0.00 0.00 70.33 69.13 3nrr n THR 45 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3nrr n THR 46 N -1.33 0.00 -2.45 4.28 -2.24 -0.74 -4.67 114.28 107.14 3nrr n THR 46 Ca 0.06 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 3nrr n THR 46 Cb 0.34 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 3nrr n THR 46 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3nrr s TYR 47 N -1.33 3.37 -0.12 4.78 5.04 -1.17 -4.90 117.35 123.02 3nrr s TYR 47 Ca 0.19 1.29 0.03 0.00 -2.44 0.00 0.00 57.07 56.14 3nrr s TYR 47 Cb 0.13 -3.41 0.01 0.00 0.35 0.00 0.00 41.96 39.04 3nrr s TYR 47 CO 0.20 -1.23 -0.22 0.42 -1.34 0.00 0.00 175.55 173.37 3nrr s ILE 48 N 1.42 2.01 0.45 3.14 -1.09 -1.26 -4.90 121.20 120.96 3nrr s ILE 48 Ca 0.58 -0.97 -0.23 0.00 -2.23 0.00 0.00 60.65 57.79 3nrr s ILE 48 Cb -0.28 -1.76 -0.09 0.00 -1.58 0.00 0.00 42.46 38.75 3nrr s ILE 48 CO 0.27 0.54 1.05 -2.65 -1.23 0.00 0.00 174.94 172.92 3nrr n PRO 49 N 3.80 1.38 0.01 2.79 -0.02 -1.26 -4.73 135.00 136.98 3nrr n PRO 49 Ca -0.20 0.50 -0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3nrr n PRO 49 Cb 0.52 -2.12 0.30 0.00 -0.02 0.00 0.00 33.50 32.18 3nrr n PRO 49 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3nrr h PRO 50 N 1.46 0.50 -0.52 0.52 0.13 -2.00 -0.51 132.00 131.59 3nrr h PRO 50 Ca -0.46 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 3nrr h PRO 50 Cb 1.33 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3nrr h PRO 50 CO 0.56 0.55 0.27 0.93 -0.23 0.00 0.00 178.00 180.08 3nrr h GLU 51 N 0.47 0.74 -0.38 0.86 3.07 -2.00 -1.66 114.58 115.68 3nrr h GLU 51 Ca 0.10 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3nrr h GLU 51 Cb 0.36 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3nrr h GLU 51 CO 0.01 0.59 0.07 0.28 -1.40 0.00 0.00 179.01 178.56 3nrr h VAL 52 N 0.70 1.24 -0.31 3.13 2.07 -1.84 -3.00 116.25 118.23 3nrr h VAL 52 Ca 0.18 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 3nrr h VAL 52 Cb 0.08 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3nrr h VAL 52 CO -0.03 0.29 -0.15 0.25 0.02 0.00 0.00 177.57 177.95 3nrr h LEU 53 N 0.47 0.54 -0.35 2.57 5.85 -0.88 -1.84 115.31 121.66 3nrr h LEU 53 Ca 0.12 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 3nrr h LEU 53 Cb 0.35 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3nrr h LEU 53 CO 0.01 0.71 -0.82 0.28 -0.34 0.00 0.00 178.44 178.27 3nrr h SER 54 N 0.50 0.30 -0.43 1.25 0.02 -1.35 -2.32 113.55 111.52 3nrr h SER 54 Ca 0.09 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 3nrr h SER 54 Cb 0.55 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3nrr h SER 54 CO 0.03 1.00 -0.24 0.11 -1.14 0.00 0.00 176.83 176.59 3nrr h LYS 55 N 0.15 0.93 -3.35 3.45 6.56 -1.36 -3.39 116.57 119.55 3nrr h LYS 55 Ca -0.04 -0.42 -0.57 0.00 -1.06 0.00 0.00 60.65 58.57 3nrr h LYS 55 Cb 1.42 -0.02 -0.40 0.00 -0.57 0.00 0.00 32.23 32.66 3nrr h LYS 55 CO 0.13 1.08 -0.76 0.54 -2.06 0.00 0.00 179.45 178.37 3nrr s ASN 56 N -6.68 3.86 0.51 0.86 2.20 -0.71 -5.04 114.94 109.94 3nrr s ASN 56 Ca -0.12 -1.52 0.29 0.00 -0.94 0.00 0.00 52.86 50.57 3nrr s ASN 56 Cb 0.11 -0.72 1.30 0.00 -2.00 0.00 0.00 41.25 39.95 3nrr s ASN 56 CO 0.86 -0.42 1.98 1.55 -2.94 0.00 0.00 177.10 178.14 3nrr h PRO 57 N 8.18 0.00 -0.16 3.55 0.13 -1.63 -2.49 132.00 139.57 3nrr h PRO 57 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3nrr h PRO 57 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3nrr h PRO 57 CO 0.46 0.13 0.00 -0.25 -0.23 0.00 0.00 178.00 178.11 3nrr n ASP 58 N -3.40 1.75 -4.77 1.44 8.00 -1.26 -4.99 116.55 113.33 3nrr n ASP 58 Ca -0.01 -1.71 -0.39 0.00 0.71 0.00 0.00 54.79 53.40 3nrr n ASP 58 Cb 0.31 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3nrr n ASP 58 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3nrr s ILE 59 N -1.80 2.75 0.11 0.53 2.07 -0.94 -5.04 121.20 118.88 3nrr s ILE 59 Ca 0.33 0.63 0.03 0.00 -1.41 0.00 0.00 60.65 60.22 3nrr s ILE 59 Cb 0.18 -3.35 -0.04 0.00 0.13 0.00 0.00 42.46 39.38 3nrr s ILE 59 CO 0.27 0.05 -0.08 -1.10 -1.91 0.00 0.00 174.94 172.18 3nrr s GLN 60 N -2.43 0.87 0.61 3.50 -0.21 -1.26 -4.96 119.66 115.79 3nrr s GLN 60 Ca 0.60 -1.31 -0.10 0.00 0.02 0.00 0.00 55.36 54.58 3nrr s GLN 60 Cb -0.35 -0.35 -0.02 0.00 1.00 0.00 0.00 33.01 33.29 3nrr s GLN 60 CO 0.44 0.02 0.99 -0.80 -2.12 0.00 0.00 175.29 173.82 3nrr s ASN 61 N -2.92 5.98 -0.13 5.90 0.01 -1.26 -1.00 114.94 121.53 3nrr s ASN 61 Ca 0.11 1.19 -0.05 0.00 -0.71 0.00 0.00 52.86 53.40 3nrr s ASN 61 Cb 0.03 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 3nrr s ASN 61 CO -0.03 -0.95 0.05 -0.69 -1.51 0.00 0.00 177.10 173.98 3nrr s VAL 62 N -3.13 4.76 -0.11 1.60 1.01 0.17 -0.58 120.40 124.12 3nrr s VAL 62 Ca 0.54 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3nrr s VAL 62 Cb -0.11 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3nrr s VAL 62 CO 0.51 0.56 -0.19 0.68 0.00 0.00 0.00 175.10 176.66 3nrr s VAL 63 N -0.51 2.54 -0.10 2.92 -7.23 0.12 -0.40 120.40 117.76 3nrr s VAL 63 Ca 0.10 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 3nrr s VAL 63 Cb -0.12 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 3nrr s VAL 63 CO 0.02 0.55 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.55 3nrr s ILE 64 N 0.27 2.68 0.08 -0.62 1.01 0.13 -0.74 121.20 124.02 3nrr s ILE 64 Ca -0.13 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 3nrr s ILE 64 Cb -0.17 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3nrr s ILE 64 CO 0.07 0.55 0.11 0.72 0.00 0.00 0.00 174.94 176.39 3nrr s PHE 65 N 0.07 0.32 0.82 3.97 -0.12 0.21 -0.81 117.98 122.44 3nrr s PHE 65 Ca -0.07 -0.79 -0.11 0.00 -0.05 0.00 0.00 56.93 55.90 3nrr s PHE 65 Cb -0.15 -0.20 0.08 0.00 -0.63 0.00 0.00 43.02 42.12 3nrr s PHE 65 CO 0.05 -0.49 1.09 0.20 -0.05 0.00 0.00 175.22 176.02 3nrr s GLY 66 N -2.89 1.65 0.23 1.99 0.00 0.49 -1.86 107.32 106.93 3nrr s GLY 66 Ca 0.07 0.09 -0.08 0.00 0.00 0.00 0.00 44.72 44.80 3nrr s GLY 66 CO -0.10 0.49 1.88 -0.09 0.00 0.00 0.00 173.10 175.29 3nrr h ARG 67 N -1.26 1.20 -0.43 2.90 2.43 -1.86 -2.12 114.38 115.23 3nrr h ARG 67 Ca -0.46 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 58.50 3nrr h ARG 67 Cb 1.25 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3nrr h ARG 67 CO 0.54 0.83 -0.17 0.87 -1.51 0.00 0.00 179.97 180.53 3nrr h LYS 68 N 1.22 0.88 -0.75 0.20 1.57 -1.93 -1.25 116.57 116.51 3nrr h LYS 68 Ca 0.32 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3nrr h LYS 68 Cb -0.07 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 3nrr h LYS 68 CO -0.06 1.01 0.48 1.15 -0.57 0.00 0.00 179.45 181.45 3nrr h THR 69 N 0.70 1.11 -0.68 -0.16 2.02 -1.84 -0.89 112.91 113.18 3nrr h THR 69 Ca 0.10 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3nrr h THR 69 Cb 0.73 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3nrr h THR 69 CO 0.06 0.17 0.42 0.22 0.37 0.00 0.00 175.52 176.76 3nrr h TYR 70 N 0.93 0.79 0.00 3.16 3.20 -0.99 -2.07 116.97 121.99 3nrr h TYR 70 Ca 0.30 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 3nrr h TYR 70 Cb 0.02 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 3nrr h TYR 70 CO -0.04 0.46 -0.15 0.93 -1.64 0.00 0.00 178.16 177.72 3nrr h GLU 71 N 0.83 0.00 0.00 1.82 5.08 -0.62 -2.68 114.58 119.02 3nrr h GLU 71 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3nrr h GLU 71 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3nrr h GLU 71 CO -0.10 0.15 0.00 -1.13 -1.00 0.00 0.00 179.01 176.93 3nrr n SER 72 N -3.47 0.00 -4.79 1.42 3.41 -0.40 -4.80 113.62 104.99 3nrr n SER 72 Ca -0.01 0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.26 3nrr n SER 72 Cb 0.31 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3nrr n SER 72 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3nrr s ILE 73 N -2.64 5.27 0.15 -1.33 1.01 -1.01 -4.91 121.20 117.73 3nrr s ILE 73 Ca 0.22 0.56 -0.34 0.00 0.00 0.00 0.00 60.65 61.08 3nrr s ILE 73 Cb 0.17 -3.60 -0.15 0.00 0.01 0.00 0.00 42.46 38.88 3nrr s ILE 73 CO 0.39 0.49 1.34 -2.65 0.00 0.00 0.00 174.94 174.51 3nrr n PRO 74 N 2.73 1.48 -0.30 2.79 -0.02 -1.26 -4.84 135.00 135.59 3nrr n PRO 74 Ca -0.14 0.53 0.21 0.00 -2.02 0.00 0.00 63.50 62.08 3nrr n PRO 74 Cb 0.53 -2.15 0.50 0.00 -0.02 0.00 0.00 33.50 32.35 3nrr n PRO 74 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3nrr h LYS 75 N 4.37 0.41 0.00 -0.52 -0.00 -1.93 -1.20 116.57 117.70 3nrr h LYS 75 Ca -0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 3nrr h LYS 75 Cb 1.31 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 3nrr h LYS 75 CO 0.77 0.27 0.00 0.00 -0.00 0.00 0.00 179.45 180.49 3nrr h ALA 76 N 1.61 1.00 -0.02 0.07 0.00 -2.01 -2.50 119.26 117.40 3nrr h ALA 76 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3nrr h ALA 76 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3nrr h ALA 76 CO -0.25 0.00 -0.04 0.43 0.00 0.00 0.00 179.25 179.39 3nrr n SER 77 N -2.68 2.03 -4.55 0.00 7.64 -0.45 -4.96 113.62 110.64 3nrr n SER 77 Ca 0.01 -1.64 -0.33 0.00 1.01 0.00 0.00 58.87 57.92 3nrr n SER 77 Cb 0.27 0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 3nrr n SER 77 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3nrr s LEU 78 N -2.06 3.05 0.65 -3.43 1.43 -0.94 -3.02 118.68 114.35 3nrr s LEU 78 Ca 0.33 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 3nrr s LEU 78 Cb 0.20 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3nrr s LEU 78 CO 0.35 0.35 1.12 -2.16 0.23 0.00 0.00 176.35 176.24 3nrr s PRO 79 N -0.83 2.83 0.12 1.29 0.05 -1.26 -5.02 135.00 132.18 3nrr s PRO 79 Ca 0.12 1.45 -0.34 0.00 0.05 0.00 0.00 61.00 62.29 3nrr s PRO 79 Cb -0.11 -1.95 -0.14 0.00 0.05 0.00 0.00 34.50 32.36 3nrr s PRO 79 CO 0.02 -1.24 1.61 1.28 0.05 0.00 0.00 177.00 178.72 3nrr n LEU 80 N -2.28 3.06 -4.78 -3.56 4.77 -1.17 -4.88 117.00 108.18 3nrr n LEU 80 Ca 0.11 1.07 -0.36 0.00 -0.03 0.00 0.00 56.01 56.79 3nrr n LEU 80 Cb 0.52 -1.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.19 3nrr n LEU 80 CO 0.47 -0.30 0.79 -1.59 -1.33 0.00 0.00 177.39 175.44 3nrr s LYS 81 N 1.39 3.73 -0.11 3.23 0.00 -1.26 -3.37 119.74 123.35 3nrr s LYS 81 Ca 0.81 1.66 0.00 0.00 0.00 0.00 0.00 55.97 58.44 3nrr s LYS 81 Cb -0.70 -2.31 0.00 0.00 0.00 0.00 0.00 37.83 34.82 3nrr s LYS 81 CO 0.41 -0.54 0.00 0.09 0.00 0.00 0.00 175.35 175.30 3nrr n ASN 82 N -0.65 -4.52 -4.12 0.03 3.02 -1.26 -4.98 115.26 102.78 3nrr n ASN 82 Ca 0.08 0.03 -0.14 0.00 -0.03 0.00 0.00 54.58 54.51 3nrr n ASN 82 Cb 0.49 -2.11 -0.11 0.00 -0.61 0.00 0.00 39.78 37.44 3nrr n ASN 82 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3nrr s ARG 83 N -1.21 0.70 -0.24 3.52 0.52 -1.22 -4.40 118.95 116.63 3nrr s ARG 83 Ca 0.00 -0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 53.96 3nrr s ARG 83 Cb 0.00 -0.45 0.01 0.00 0.52 0.00 0.00 34.95 35.03 3nrr s ARG 83 CO 0.00 0.08 1.05 0.42 0.02 0.00 0.00 175.30 176.87 3nrr s ILE 84 N -1.85 4.64 -0.20 1.52 1.01 0.25 -4.81 121.20 121.76 3nrr s ILE 84 Ca -0.02 1.98 -0.14 0.00 0.00 0.00 0.00 60.65 62.47 3nrr s ILE 84 Cb -0.07 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 3nrr s ILE 84 CO 0.00 -0.21 0.30 0.20 0.00 0.00 0.00 174.94 175.23 3nrr s ASN 85 N 1.29 6.34 -0.11 3.58 0.02 -1.26 -0.70 114.94 124.10 3nrr s ASN 85 Ca 0.45 0.40 0.01 0.00 -1.02 0.00 0.00 52.86 52.70 3nrr s ASN 85 Cb -0.15 -2.18 0.02 0.00 0.02 0.00 0.00 41.25 38.96 3nrr s ASN 85 CO 0.07 0.02 -0.14 -0.69 0.02 0.00 0.00 177.10 176.39 3nrr s VAL 86 N 0.97 1.39 -0.09 1.60 1.01 0.08 -1.09 120.40 124.27 3nrr s VAL 86 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3nrr s VAL 86 Cb -0.14 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3nrr s VAL 86 CO 0.05 0.42 -0.09 -0.63 0.00 0.00 0.00 175.10 174.85 3nrr s ILE 87 N 1.10 3.46 -0.16 2.22 1.01 -0.33 -0.62 121.20 127.87 3nrr s ILE 87 Ca -0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 3nrr s ILE 87 Cb -0.14 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 3nrr s ILE 87 CO -0.03 0.56 0.17 -0.76 0.00 0.00 0.00 174.94 174.88 3nrr s LEU 88 N -0.31 4.28 -0.15 2.97 1.43 -0.78 -1.70 118.68 124.42 3nrr s LEU 88 Ca 0.04 0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 3nrr s LEU 88 Cb -0.13 -2.14 0.08 0.00 0.03 0.00 0.00 46.19 44.03 3nrr s LEU 88 CO 0.02 0.24 0.77 -0.55 0.23 0.00 0.00 176.35 177.07 3nrr s SER 89 N -0.10 -0.62 0.00 2.29 0.15 -0.27 -2.70 113.70 112.46 3nrr s SER 89 Ca 0.12 0.89 0.19 0.00 0.70 0.00 0.00 55.95 57.84 3nrr s SER 89 Cb -0.12 0.79 0.38 0.00 -1.71 0.00 0.00 66.02 65.36 3nrr s SER 89 CO 0.01 -0.43 1.31 0.54 1.20 0.00 0.00 173.24 175.87 3nrr n ARG 90 N 1.50 2.34 0.00 5.44 1.74 -1.26 -3.91 116.66 122.51 3nrr n ARG 90 Ca -0.16 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.79 3nrr n ARG 90 Cb 0.56 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3nrr n ARG 90 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3nrr n THR 91 N 1.18 0.00 -4.54 0.55 -2.24 -1.26 -5.00 114.28 102.97 3nrr n THR 91 Ca 0.16 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.61 3nrr n THR 91 Cb 0.52 0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.64 3nrr n THR 91 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3nrr s VAL 92 N -1.78 3.69 -0.10 2.28 1.01 -1.26 -5.02 120.40 119.22 3nrr s VAL 92 Ca 0.00 -0.45 0.18 0.00 0.00 0.00 0.00 61.98 61.71 3nrr s VAL 92 Cb 0.00 -2.57 -0.26 0.00 0.00 0.00 0.00 36.38 33.54 3nrr s VAL 92 CO 0.00 0.53 0.25 2.29 0.00 0.00 0.00 175.10 178.17 3nrr n LYS 93 N 3.14 0.81 -3.94 2.72 0.00 -1.26 -4.71 118.16 114.92 3nrr n LYS 93 Ca -0.18 -0.10 -0.16 0.00 -0.00 0.00 0.00 58.31 57.88 3nrr n LYS 93 Cb 0.53 -1.46 -0.15 0.00 -0.00 0.00 0.00 35.03 33.94 3nrr n LYS 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3nrr s GLU 94 N -2.91 0.24 -0.05 -1.58 1.03 -1.26 -4.76 118.70 109.41 3nrr s GLU 94 Ca -0.08 0.03 -0.00 0.00 0.03 0.00 0.00 54.97 54.95 3nrr s GLU 94 Cb 0.09 -0.36 0.03 0.00 -0.80 0.00 0.00 34.13 33.08 3nrr s GLU 94 CO 0.78 -0.08 -0.01 0.08 -1.33 0.00 0.00 175.26 174.70 3nrr s VAL 95 N 0.67 0.38 0.05 1.83 1.01 -1.26 -5.12 120.40 117.95 3nrr s VAL 95 Ca -0.06 0.05 -0.35 0.00 0.00 0.00 0.00 61.98 61.62 3nrr s VAL 95 Cb -0.09 -0.49 -0.13 0.00 0.00 0.00 0.00 36.38 35.66 3nrr s VAL 95 CO -0.01 0.23 1.67 -2.65 0.00 0.00 0.00 175.10 174.33 3nrr n PRO 96 N 4.64 2.01 -0.75 2.72 -0.02 -1.26 -1.86 135.00 140.49 3nrr n PRO 96 Ca -0.16 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3nrr n PRO 96 Cb 0.50 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3nrr n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nrr n GLY 97 N 3.71 0.86 3.37 -1.23 0.00 -1.26 -4.70 105.19 105.93 3nrr n GLY 97 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3nrr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nrr s LEU 99 N -3.36 4.38 -0.06 0.00 1.43 -0.25 -4.65 118.68 116.17 3nrr s LEU 99 Ca 0.25 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 3nrr s LEU 99 Cb 0.01 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.53 3nrr s LEU 99 CO 0.08 0.25 -0.15 -0.69 0.23 0.00 0.00 176.35 176.07 3nrr s VAL 100 N -1.27 1.35 0.18 -1.59 1.01 -1.26 -1.19 120.40 117.63 3nrr s VAL 100 Ca 0.27 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.68 3nrr s VAL 100 Cb -0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3nrr s VAL 100 CO 0.15 0.40 -0.11 -0.31 0.00 0.00 0.00 175.10 175.23 3nrr s TYR 101 N 0.35 1.52 -0.25 5.22 2.02 -0.69 -5.00 117.35 120.52 3nrr s TYR 101 Ca -0.10 -0.69 0.23 0.00 -0.37 0.00 0.00 57.07 56.14 3nrr s TYR 101 Cb -0.14 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 3nrr s TYR 101 CO 0.04 0.21 1.03 0.39 -1.57 0.00 0.00 175.55 175.64 3nrr n GLU 102 N -0.31 0.59 -3.82 -0.62 1.02 -1.25 -1.11 120.64 115.13 3nrr n GLU 102 Ca -0.09 0.11 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 3nrr n GLU 102 Cb 0.61 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3nrr n GLU 102 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3nrr s ASP 103 N -5.27 -0.25 0.01 1.62 1.47 -1.26 -4.60 116.67 108.39 3nrr s ASP 103 Ca -0.00 -0.59 -0.23 0.00 1.18 0.00 0.00 52.55 52.90 3nrr s ASP 103 Cb 0.10 0.66 -0.17 0.00 -0.34 0.00 0.00 42.92 43.17 3nrr s ASP 103 CO 0.79 -1.21 1.34 0.25 0.68 0.00 0.00 175.17 177.02 3nrr h LEU 104 N 2.09 0.17 -0.58 2.11 5.85 -2.00 -2.68 115.31 120.27 3nrr h LEU 104 Ca -0.24 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.10 3nrr h LEU 104 Cb 1.26 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 3nrr h LEU 104 CO 0.30 0.57 0.29 0.77 -0.34 0.00 0.00 178.44 180.03 3nrr h SER 105 N -0.24 0.41 -0.42 1.25 4.64 -1.98 -0.47 113.55 116.74 3nrr h SER 105 Ca 0.01 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3nrr h SER 105 Cb 0.51 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.52 3nrr h SER 105 CO 0.01 0.27 0.13 0.74 -0.87 0.00 0.00 176.83 177.11 3nrr h THR 106 N 0.55 0.84 -0.12 2.95 2.02 -1.90 -1.62 112.91 115.61 3nrr h THR 106 Ca 0.27 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 3nrr h THR 106 Cb 0.20 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3nrr h THR 106 CO -0.19 0.05 -0.01 0.00 0.37 0.00 0.00 175.52 175.73 3nrr h ALA 107 N 1.29 0.17 -0.49 6.16 0.00 -1.02 0.19 119.26 125.56 3nrr h ALA 107 Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3nrr h ALA 107 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3nrr h ALA 107 CO -0.22 -0.12 0.25 0.82 0.00 0.00 0.00 179.25 179.98 3nrr h ILE 108 N -0.06 1.18 -0.36 0.00 1.08 -1.00 -0.09 117.51 118.26 3nrr h ILE 108 Ca 0.03 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 3nrr h ILE 108 Cb 0.40 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 3nrr h ILE 108 CO 0.01 0.20 0.18 0.03 -0.69 0.00 0.00 178.15 177.87 3nrr h ARG 109 N 0.66 0.52 -0.18 2.37 3.08 -1.18 -1.95 114.38 117.69 3nrr h ARG 109 Ca 0.17 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3nrr h ARG 109 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3nrr h ARG 109 CO -0.02 0.46 0.07 0.22 -1.07 0.00 0.00 179.97 179.62 3nrr h ASP 110 N 0.44 0.09 0.08 7.04 3.58 -0.69 -1.90 116.42 125.07 3nrr h ASP 110 Ca 0.12 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.61 3nrr h ASP 110 Cb 0.11 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 3nrr h ASP 110 CO -0.02 0.08 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.14 3nrr h LEU 111 N 0.16 -0.59 -1.22 2.28 3.38 -0.92 0.20 115.31 118.60 3nrr h LEU 111 Ca 0.07 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3nrr h LEU 111 Cb 0.04 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3nrr h LEU 111 CO -0.07 -0.29 -0.33 0.03 0.09 0.00 0.00 178.44 177.87 3nrr h ARG 112 N -0.38 0.10 0.19 1.13 3.08 -1.35 -0.92 114.38 116.23 3nrr h ARG 112 Ca 0.03 -0.04 -0.32 0.00 0.07 0.00 0.00 59.98 59.72 3nrr h ARG 112 Cb 0.42 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.48 3nrr h ARG 112 CO -0.13 0.42 -1.51 0.00 -1.07 0.00 0.00 179.97 177.68 3nrr h ALA 113 N 1.58 0.04 0.00 0.04 0.00 -1.21 -3.44 119.26 116.27 3nrr h ALA 113 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3nrr h ALA 113 Cb 0.63 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3nrr h ALA 113 CO 0.05 0.91 -0.15 0.09 0.00 0.00 0.00 179.25 180.14 3nrr n ASN 114 N -3.60 0.77 -3.96 0.00 3.02 0.71 -4.95 115.26 107.24 3nrr n ASN 114 Ca -0.17 -0.25 -0.30 0.00 -0.03 0.00 0.00 54.58 53.83 3nrr n ASN 114 Cb 1.07 0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 40.75 3nrr n ASN 114 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3nrr s VAL 115 N -0.81 2.37 0.25 2.41 1.01 -0.36 -5.01 120.40 120.26 3nrr s VAL 115 Ca 0.00 -2.85 -0.31 0.00 0.00 0.00 0.00 61.98 58.83 3nrr s VAL 115 Cb 0.00 -2.69 -0.14 0.00 0.00 0.00 0.00 36.38 33.55 3nrr s VAL 115 CO 0.00 -0.72 1.29 -2.65 0.00 0.00 0.00 175.10 173.02 3nrr n PRO 116 N 3.63 1.79 -3.78 2.72 -0.02 -1.26 -4.65 135.00 133.43 3nrr n PRO 116 Ca 0.05 0.64 -0.04 0.00 -2.02 0.00 0.00 63.50 62.12 3nrr n PRO 116 Cb 0.36 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 3nrr n PRO 116 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3nrr s HIS 117 N -0.36 -0.12 0.00 6.00 -3.43 -1.26 -4.78 115.29 111.34 3nrr s HIS 117 Ca 0.66 -0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.70 3nrr s HIS 117 Cb -0.68 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 31.13 3nrr s HIS 117 CO 0.53 -0.91 0.00 -1.71 -2.00 0.00 0.00 174.74 170.65 3nrr n ASN 118 N -0.53 0.00 -4.13 7.38 5.15 -0.17 -4.94 115.26 118.02 3nrr n ASN 118 Ca -0.06 0.12 -0.15 0.00 -0.60 0.00 0.00 54.58 53.89 3nrr n ASN 118 Cb 0.60 -0.49 -0.11 0.00 -0.53 0.00 0.00 39.78 39.25 3nrr n ASN 118 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3nrr s LYS 119 N -0.99 0.71 -0.21 1.20 2.20 -1.26 -5.02 119.74 116.37 3nrr s LYS 119 Ca 0.00 -0.93 -0.07 0.00 -0.36 0.00 0.00 55.97 54.61 3nrr s LYS 119 Cb 0.00 -0.55 -0.03 0.00 -1.51 0.00 0.00 37.83 35.74 3nrr s LYS 119 CO 0.00 0.11 0.05 0.42 -0.36 0.00 0.00 175.35 175.57 3nrr s ILE 120 N -1.60 4.41 -0.01 5.43 1.01 -1.26 -0.66 121.20 128.51 3nrr s ILE 120 Ca -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3nrr s ILE 120 Cb -0.08 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3nrr s ILE 120 CO 0.01 0.40 -0.07 -0.36 0.00 0.00 0.00 174.94 174.92 3nrr s PHE 121 N 1.04 2.89 -0.27 3.97 0.08 0.47 -2.26 117.98 123.88 3nrr s PHE 121 Ca 0.04 -0.03 -0.06 0.00 0.12 0.00 0.00 56.93 56.99 3nrr s PHE 121 Cb -0.14 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 3nrr s PHE 121 CO 0.03 0.36 0.05 0.42 -0.10 0.00 0.00 175.22 175.98 3nrr s ILE 122 N -0.95 3.89 -0.25 0.64 -1.09 0.71 -0.69 121.20 123.46 3nrr s ILE 122 Ca 0.16 -0.59 0.11 0.00 -2.23 0.00 0.00 60.65 58.10 3nrr s ILE 122 Cb -0.11 -2.94 0.47 0.00 -1.58 0.00 0.00 42.46 38.30 3nrr s ILE 122 CO 0.06 0.18 1.38 0.18 -1.23 0.00 0.00 174.94 175.51 3nrr n LEU 123 N 4.86 3.65 0.00 2.97 4.77 0.01 -2.11 117.00 131.15 3nrr n LEU 123 Ca -0.15 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 52.17 3nrr n LEU 123 Cb 0.49 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3nrr n LEU 123 CO 0.31 1.18 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 3nrr n GLY 124 N -1.08 -3.04 0.00 -0.72 0.00 -1.26 -4.86 105.19 94.24 3nrr n GLY 124 Ca 0.27 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3nrr n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nrr n GLY 125 N -0.53 1.59 0.20 -0.02 0.00 -1.26 -0.38 105.19 104.78 3nrr n GLY 125 Ca 0.00 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.36 3nrr n GLY 125 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3nrr h SER 126 N 0.00 0.00 -0.13 1.61 0.02 -1.97 0.17 113.55 113.25 3nrr h SER 126 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3nrr h SER 126 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3nrr h SER 126 CO 0.00 0.34 -0.04 -0.26 -1.14 0.00 0.00 176.83 175.73 3nrr h PHE 127 N 0.00 -0.08 -0.24 3.45 -1.00 -1.95 -0.66 116.94 116.46 3nrr h PHE 127 Ca -0.00 0.01 -0.16 0.00 2.81 0.00 0.00 57.97 60.63 3nrr h PHE 127 Cb 0.67 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.29 3nrr h PHE 127 CO 0.00 -0.06 -0.46 1.25 -1.61 0.00 0.00 178.31 177.43 3nrr h LEU 128 N -0.01 0.82 -0.87 1.54 5.85 -1.52 -2.47 115.31 118.65 3nrr h LEU 128 Ca 0.07 -0.54 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3nrr h LEU 128 Cb 0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3nrr h LEU 128 CO -0.14 1.20 0.17 1.88 -0.34 0.00 0.00 178.44 181.21 3nrr h TYR 129 N 0.46 1.05 -0.55 1.25 0.05 -0.72 -0.87 116.97 117.65 3nrr h TYR 129 Ca 0.01 -0.11 -0.08 0.00 0.05 0.00 0.00 58.73 58.61 3nrr h TYR 129 Cb 1.06 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 3nrr h TYR 129 CO 0.08 0.85 0.04 -0.22 -1.05 0.00 0.00 178.16 177.87 3nrr h LYS 130 N 0.97 0.94 -0.55 4.88 1.63 -1.10 -1.68 116.57 121.66 3nrr h LYS 130 Ca 0.21 -0.28 -0.09 0.00 -0.85 0.00 0.00 60.65 59.64 3nrr h LYS 130 Cb 0.32 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 3nrr h LYS 130 CO -0.00 0.93 -0.02 1.49 -3.45 0.00 0.00 179.45 178.40 3nrr h GLU 131 N 0.83 0.99 -0.40 1.90 4.81 -1.18 -1.29 114.58 120.24 3nrr h GLU 131 Ca 0.16 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 3nrr h GLU 131 Cb 0.48 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3nrr h GLU 131 CO 0.02 1.00 -0.13 0.28 -0.73 0.00 0.00 179.01 179.45 3nrr h VAL 132 N 0.87 1.28 -0.02 0.32 2.07 -0.97 -2.82 116.25 116.98 3nrr h VAL 132 Ca 0.15 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 3nrr h VAL 132 Cb 0.57 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3nrr h VAL 132 CO 0.03 0.42 -0.32 -0.07 0.02 0.00 0.00 177.57 177.65 3nrr h LEU 133 N 0.61 0.32 -1.42 2.57 3.38 -1.35 -0.64 115.31 118.77 3nrr h LEU 133 Ca 0.10 -0.73 0.17 0.00 0.09 0.00 0.00 57.88 57.50 3nrr h LEU 133 Cb 0.67 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3nrr h LEU 133 CO 0.05 1.00 0.57 0.44 0.09 0.00 0.00 178.44 180.59 3nrr h ASP 134 N -0.34 0.51 -0.61 -0.43 5.19 -1.28 -2.70 116.42 116.76 3nrr h ASP 134 Ca -0.03 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3nrr h ASP 134 Cb 1.04 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3nrr h ASP 134 CO 0.06 0.23 0.00 0.59 -3.12 0.00 0.00 179.24 177.01 3nrr n ASN 135 N -4.53 3.68 -0.93 6.45 3.02 -1.06 -4.98 115.26 116.90 3nrr n ASN 135 Ca 0.18 -2.02 -0.09 0.00 -0.03 0.00 0.00 54.58 52.61 3nrr n ASN 135 Cb 0.57 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 3nrr n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nrr n GLY 136 N 1.28 0.42 0.14 7.41 0.00 -1.02 -4.90 105.19 108.52 3nrr n GLY 136 Ca 0.21 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.82 3nrr n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nrr n LEU 137 N -1.24 0.62 -4.43 0.99 4.77 -0.28 -4.79 117.00 112.65 3nrr n LEU 137 Ca -0.10 -0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.49 3nrr n LEU 137 Cb 0.48 -0.18 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 3nrr n LEU 137 CO 0.13 0.12 -0.41 0.00 -1.33 0.00 0.00 177.39 175.90 3nrr n ASP 139 N 3.44 0.71 -3.68 0.00 8.00 -1.12 -4.88 116.55 119.02 3nrr n ASP 139 Ca -0.18 -0.81 -0.12 0.00 0.71 0.00 0.00 54.79 54.39 3nrr n ASP 139 Cb 0.53 1.02 -0.09 0.00 -0.02 0.00 0.00 41.12 42.56 3nrr n ASP 139 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3nrr s LYS 140 N -2.38 0.60 -0.09 -1.24 2.20 -1.26 -3.14 119.74 114.43 3nrr s LYS 140 Ca 0.05 0.83 -0.00 0.00 -0.36 0.00 0.00 55.97 56.49 3nrr s LYS 140 Cb 0.11 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.68 3nrr s LYS 140 CO 0.59 -0.10 -0.06 0.42 -0.36 0.00 0.00 175.35 175.84 3nrr s ILE 141 N 0.68 0.85 -0.34 5.43 1.01 -0.04 -2.07 121.20 126.73 3nrr s ILE 141 Ca -0.03 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 3nrr s ILE 141 Cb -0.05 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 3nrr s ILE 141 CO -0.05 0.33 0.31 -0.31 0.00 0.00 0.00 174.94 175.23 3nrr s TYR 142 N 1.59 3.22 -0.05 3.97 1.51 0.84 -0.42 117.35 128.00 3nrr s TYR 142 Ca 0.01 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 3nrr s TYR 142 Cb -0.13 -2.59 0.02 0.00 -0.11 0.00 0.00 41.96 39.14 3nrr s TYR 142 CO -0.06 -0.40 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.72 3nrr s LEU 143 N 1.89 1.55 -0.28 -1.29 0.20 -0.49 -1.36 118.68 118.90 3nrr s LEU 143 Ca 0.09 -0.23 -0.16 0.00 0.69 0.00 0.00 54.13 54.53 3nrr s LEU 143 Cb -0.17 -0.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.89 3nrr s LEU 143 CO 0.11 0.01 0.40 -0.89 -0.29 0.00 0.00 176.35 175.69 3nrr s THR 144 N 0.71 5.14 -0.28 3.68 2.01 -0.19 -0.83 115.64 125.89 3nrr s THR 144 Ca -0.13 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.23 3nrr s THR 144 Cb -0.15 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 3nrr s THR 144 CO 0.02 0.09 0.54 -0.13 -0.69 0.00 0.00 174.62 174.45 3nrr s ARG 145 N 2.13 4.00 -0.17 4.92 0.52 0.23 -0.91 118.95 129.67 3nrr s ARG 145 Ca 0.16 0.28 -0.08 0.00 -0.52 0.00 0.00 55.73 55.57 3nrr s ARG 145 Cb -0.16 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 3nrr s ARG 145 CO 0.10 -0.42 0.10 -0.51 0.02 0.00 0.00 175.30 174.60 3nrr s LEU 146 N 2.37 4.09 -0.08 2.53 1.02 -0.55 -1.67 118.68 126.39 3nrr s LEU 146 Ca 0.22 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.62 3nrr s LEU 146 Cb -0.15 -2.03 0.19 0.00 0.02 0.00 0.00 46.19 44.21 3nrr s LEU 146 CO 0.10 0.24 1.01 0.59 0.02 0.00 0.00 176.35 178.30 3nrr n ASN 147 N 3.13 2.66 -3.96 2.29 4.13 -0.27 -2.46 115.26 120.78 3nrr n ASN 147 Ca -0.17 -2.31 -0.09 0.00 1.68 0.00 0.00 54.58 53.69 3nrr n ASN 147 Cb 0.53 -0.56 -0.10 0.00 -1.54 0.00 0.00 39.78 38.10 3nrr n ASN 147 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3nrr s LYS 148 N -1.14 0.44 0.19 3.52 2.20 -1.26 -4.66 119.74 119.02 3nrr s LYS 148 Ca 0.14 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.89 3nrr s LYS 148 Cb 0.11 0.16 -0.08 0.00 -1.51 0.00 0.00 37.83 36.52 3nrr s LYS 148 CO 0.03 -0.09 0.68 -1.21 -0.36 0.00 0.00 175.35 174.40 3nrr s GLU 149 N -1.96 4.21 0.04 4.03 2.02 -1.26 -1.41 118.70 124.37 3nrr s GLU 149 Ca -0.11 0.80 0.05 0.00 0.02 0.00 0.00 54.97 55.73 3nrr s GLU 149 Cb -0.06 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 3nrr s GLU 149 CO -0.02 0.45 -0.15 0.71 0.02 0.00 0.00 175.26 176.26 3nrr s TYR 150 N -1.45 1.31 0.42 1.61 1.51 -1.26 -4.96 117.35 114.54 3nrr s TYR 150 Ca 0.40 -0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 55.83 3nrr s TYR 150 Cb -0.17 -0.77 -0.09 0.00 -0.11 0.00 0.00 41.96 40.81 3nrr s TYR 150 CO 0.21 0.05 1.46 -2.14 -1.11 0.00 0.00 175.55 174.01 3nrr s PRO 151 N -1.19 3.84 0.08 -1.71 0.02 -1.26 -4.82 135.00 129.97 3nrr s PRO 151 Ca 0.02 2.50 -0.27 0.00 0.02 0.00 0.00 61.00 63.27 3nrr s PRO 151 Cb -0.08 -2.78 0.09 0.00 0.02 0.00 0.00 34.50 31.75 3nrr s PRO 151 CO 0.01 -0.72 1.08 0.20 -0.33 0.00 0.00 177.00 177.24 3nrr s GLY 152 N -0.34 -0.30 0.00 0.52 0.00 -1.26 -4.74 107.32 101.20 3nrr s GLY 152 Ca 0.58 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.68 3nrr s GLY 152 CO 0.60 0.06 0.16 2.09 0.00 0.00 0.00 173.10 176.01 3nrr n ASP 153 N -0.46 0.32 -3.97 1.64 5.68 -0.27 -4.98 116.55 114.52 3nrr n ASP 153 Ca -0.07 -0.83 -0.23 0.00 -0.50 0.00 0.00 54.79 53.16 3nrr n ASP 153 Cb 0.61 0.09 -0.17 0.00 -1.14 0.00 0.00 41.12 40.52 3nrr n ASP 153 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3nrr s THR 154 N -0.09 0.94 0.03 2.12 2.01 -0.98 -5.01 115.64 114.66 3nrr s THR 154 Ca 0.00 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.72 3nrr s THR 154 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 3nrr s THR 154 CO 0.00 0.32 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.75 3nrr s TYR 155 N 0.87 1.62 0.05 4.92 1.51 -1.26 -0.24 117.35 124.81 3nrr s TYR 155 Ca -0.11 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 3nrr s TYR 155 Cb -0.15 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 3nrr s TYR 155 CO 0.01 0.06 0.97 0.12 -1.11 0.00 0.00 175.55 175.60 3nrr s PHE 156 N -0.74 3.72 0.81 2.71 5.36 0.09 -4.70 117.98 125.23 3nrr s PHE 156 Ca 0.06 1.74 -0.12 0.00 -0.96 0.00 0.00 56.93 57.64 3nrr s PHE 156 Cb -0.08 -3.09 0.08 0.00 -0.34 0.00 0.00 43.02 39.59 3nrr s PHE 156 CO 0.01 0.08 1.15 -2.14 -1.46 0.00 0.00 175.22 172.87 3nrr s PRO 157 N 0.58 1.77 0.35 10.12 0.02 -1.26 -4.93 135.00 141.65 3nrr s PRO 157 Ca 0.50 1.52 -0.28 0.00 0.02 0.00 0.00 61.00 62.75 3nrr s PRO 157 Cb -0.22 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 3nrr s PRO 157 CO 0.29 -2.06 1.46 -0.25 -0.33 0.00 0.00 177.00 176.10 3nrr n ASP 158 N -3.47 3.55 -4.70 2.53 8.00 -1.26 -4.96 116.55 116.23 3nrr n ASP 158 Ca 0.12 1.21 -0.41 0.00 0.71 0.00 0.00 54.79 56.42 3nrr n ASP 158 Cb 0.52 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.00 3nrr n ASP 158 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nrr s ILE 159 N -0.93 4.94 0.61 0.53 1.01 -1.26 -5.03 121.20 121.07 3nrr s ILE 159 Ca 0.56 1.67 -0.19 0.00 0.00 0.00 0.00 60.65 62.69 3nrr s ILE 159 Cb -0.50 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 3nrr s ILE 159 CO 0.61 0.15 1.27 -2.16 0.00 0.00 0.00 174.94 174.81 3nrr s PRO 160 N 1.32 2.83 0.00 2.79 0.04 -1.26 -4.88 135.00 135.83 3nrr s PRO 160 Ca 0.42 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.50 3nrr s PRO 160 Cb -0.18 -1.95 0.32 0.00 0.04 0.00 0.00 34.50 32.73 3nrr s PRO 160 CO 0.19 -1.36 0.71 -0.40 0.04 0.00 0.00 177.00 176.17 3nrr n ASP 161 N -1.62 0.00 -0.02 6.66 5.68 -1.26 -1.53 116.55 124.47 3nrr n ASP 161 Ca 0.14 -0.55 0.14 0.00 -0.50 0.00 0.00 54.79 54.02 3nrr n ASP 161 Cb 0.48 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.09 3nrr n ASP 161 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3nrr n THR 162 N -0.73 0.00 -3.97 2.12 -2.24 -1.26 -4.85 114.28 103.35 3nrr n THR 162 Ca 0.04 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 3nrr n THR 162 Cb 0.02 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 67.84 3nrr n THR 162 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3nrr s PHE 163 N -2.80 3.42 0.03 4.78 0.40 -0.58 -0.14 117.98 123.09 3nrr s PHE 163 Ca 0.20 0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 3nrr s PHE 163 Cb 0.19 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 3nrr s PHE 163 CO 0.52 0.54 0.00 -1.83 0.70 0.00 0.00 175.22 175.15 3nrr s GLU 164 N -2.96 0.44 -0.05 0.44 -1.05 0.73 -4.82 118.70 111.42 3nrr s GLU 164 Ca 0.34 -0.75 -0.30 0.00 -0.15 0.00 0.00 54.97 54.11 3nrr s GLU 164 Cb -0.11 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 3nrr s GLU 164 CO 0.27 -0.08 1.12 0.42 0.95 0.00 0.00 175.26 177.94 3nrr s ILE 165 N -2.19 4.44 0.00 1.83 1.01 -1.26 -0.88 121.20 124.16 3nrr s ILE 165 Ca -0.09 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.31 3nrr s ILE 165 Cb -0.04 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3nrr s ILE 165 CO -0.03 0.03 0.21 0.35 0.00 0.00 0.00 174.94 175.49 3nrr n THR 166 N 4.44 0.00 -3.71 2.92 -2.24 0.07 -3.85 114.28 111.91 3nrr n THR 166 Ca 0.10 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 3nrr n THR 166 Cb 0.47 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.63 3nrr n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nrr s ALA 167 N -0.54 -1.08 -0.12 6.98 0.00 -1.20 -0.68 121.76 125.11 3nrr s ALA 167 Ca 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 3nrr s ALA 167 Cb 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.75 3nrr s ALA 167 CO 0.00 -0.24 0.24 0.42 0.00 0.00 0.00 175.76 176.18 3nrr s ILE 168 N -0.34 -0.37 1.04 0.00 1.01 -0.61 -1.56 121.20 120.36 3nrr s ILE 168 Ca -0.05 0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 3nrr s ILE 168 Cb -0.03 -0.41 0.21 0.00 0.01 0.00 0.00 42.46 42.24 3nrr s ILE 168 CO 0.03 0.12 1.08 -0.94 0.00 0.00 0.00 174.94 175.22 3nrr s SER 169 N 2.36 2.21 0.91 3.58 1.04 -0.10 -1.18 113.70 122.52 3nrr s SER 169 Ca 0.01 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 3nrr s SER 169 Cb -0.12 -2.00 0.13 0.00 0.10 0.00 0.00 66.02 64.13 3nrr s SER 169 CO -0.08 -3.40 1.12 -2.65 0.98 0.00 0.00 173.24 169.20 3nrr n PRO 170 N -4.37 -0.37 -2.79 4.02 -0.02 -1.21 -2.94 135.00 127.33 3nrr n PRO 170 Ca 0.05 -0.04 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 3nrr n PRO 170 Cb 0.56 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3nrr n PRO 170 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3nrr s THR 171 N -2.55 4.39 0.40 3.45 2.01 -1.26 -4.57 115.64 117.51 3nrr s THR 171 Ca 0.67 1.99 0.07 0.00 0.31 0.00 0.00 61.69 64.73 3nrr s THR 171 Cb -0.24 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 67.91 3nrr s THR 171 CO 0.57 0.40 0.01 -0.36 -0.69 0.00 0.00 174.62 174.55 3nrr s PHE 172 N -0.47 2.45 -0.07 4.92 0.08 0.24 -4.51 117.98 120.62 3nrr s PHE 172 Ca 0.43 -0.69 -0.24 0.00 0.12 0.00 0.00 56.93 56.55 3nrr s PHE 172 Cb -0.24 -1.69 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 3nrr s PHE 172 CO 0.29 0.41 0.54 -1.54 -0.10 0.00 0.00 175.22 174.83 3nrr s SER 173 N -3.68 -0.50 0.38 1.36 1.04 -1.19 -1.41 113.70 109.69 3nrr s SER 173 Ca 0.35 0.62 0.04 0.00 0.48 0.00 0.00 55.95 57.44 3nrr s SER 173 Cb 0.09 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.86 3nrr s SER 173 CO 0.18 -0.47 0.34 0.35 0.98 0.00 0.00 173.24 174.61 3nrr n THR 174 N 1.42 0.00 0.32 2.02 -2.24 -0.70 -5.00 114.28 110.10 3nrr n THR 174 Ca -0.19 -1.44 0.20 0.00 -2.27 0.00 0.00 64.05 60.36 3nrr n THR 174 Cb 0.56 -0.29 1.08 0.00 -2.10 0.00 0.00 70.33 69.58 3nrr n THR 174 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3nrr h ASP 175 N 0.36 0.00 0.00 3.42 3.58 -2.02 -3.31 116.42 118.45 3nrr h ASP 175 Ca -0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.23 3nrr h ASP 175 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 3nrr h ASP 175 CO 0.35 0.00 -0.42 2.22 -2.88 0.00 0.00 179.24 178.50 3nrr n PHE 176 N -2.94 0.00 -3.56 0.28 1.16 -1.26 -5.09 117.46 106.06 3nrr n PHE 176 Ca -0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.38 3nrr n PHE 176 Cb 0.12 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.93 3nrr n PHE 176 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3nrr s VAL 177 N -1.29 0.01 0.06 1.97 0.11 -1.25 -5.04 120.40 114.96 3nrr s VAL 177 Ca 0.00 -0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 58.91 3nrr s VAL 177 Cb 0.00 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 3nrr s VAL 177 CO 0.00 -0.04 0.34 -0.44 -3.33 0.00 0.00 175.10 171.63 3nrr s SER 178 N -1.17 6.55 0.18 3.54 0.01 -1.26 -1.72 113.70 119.83 3nrr s SER 178 Ca -0.11 0.65 -0.20 0.00 1.31 0.00 0.00 55.95 57.60 3nrr s SER 178 Cb -0.01 -2.12 0.04 0.00 0.21 0.00 0.00 66.02 64.14 3nrr s SER 178 CO 0.09 0.19 0.57 -0.72 0.41 0.00 0.00 173.24 173.78 3nrr s TYR 179 N -1.39 -0.31 0.34 2.43 1.13 -0.50 -1.11 117.35 117.94 3nrr s TYR 179 Ca 0.32 0.01 -0.05 0.00 -1.41 0.00 0.00 57.07 55.94 3nrr s TYR 179 Cb -0.13 0.49 0.01 0.00 -1.10 0.00 0.00 41.96 41.23 3nrr s TYR 179 CO 0.18 -0.91 0.52 0.16 -2.51 0.00 0.00 175.55 173.00 3nrr s ASP 180 N -2.82 0.72 -0.09 -0.18 1.47 -0.67 -0.59 116.67 114.51 3nrr s ASP 180 Ca 0.05 -1.40 0.01 0.00 1.18 0.00 0.00 52.55 52.39 3nrr s ASP 180 Cb -0.01 0.69 -0.02 0.00 -0.34 0.00 0.00 42.92 43.24 3nrr s ASP 180 CO -0.07 -1.35 -0.13 -0.36 0.68 0.00 0.00 175.17 173.94 3nrr s PHE 181 N -2.99 2.77 0.18 2.11 0.08 -1.26 -0.60 117.98 118.28 3nrr s PHE 181 Ca 0.28 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.95 3nrr s PHE 181 Cb -0.01 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 3nrr s PHE 181 CO 0.18 -0.02 -0.03 0.14 -0.10 0.00 0.00 175.22 175.39 3nrr s VAL 182 N -0.15 0.94 -0.08 -0.44 -7.23 -0.01 -0.92 120.40 112.51 3nrr s VAL 182 Ca -0.01 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 3nrr s VAL 182 Cb -0.13 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.70 3nrr s VAL 182 CO 0.03 -0.51 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.50 3nrr s ILE 183 N -3.48 1.62 0.01 -0.62 1.01 -0.60 -1.40 121.20 117.74 3nrr s ILE 183 Ca 0.23 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3nrr s ILE 183 Cb 0.05 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3nrr s ILE 183 CO 0.04 0.46 0.02 -0.31 0.00 0.00 0.00 174.94 175.15 3nrr s TYR 184 N 0.51 3.11 0.10 3.97 1.51 0.44 -0.75 117.35 126.23 3nrr s TYR 184 Ca -0.17 0.09 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 3nrr s TYR 184 Cb -0.17 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 3nrr s TYR 184 CO 0.06 0.48 0.06 -1.21 -1.11 0.00 0.00 175.55 173.83 3nrr s GLU 185 N -1.66 0.83 0.25 -0.62 2.02 -0.06 -0.86 118.70 118.60 3nrr s GLU 185 Ca 0.21 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 3nrr s GLU 185 Cb -0.12 0.26 -0.10 0.00 0.10 0.00 0.00 34.13 34.27 3nrr s GLU 185 CO 0.12 -0.23 1.45 1.03 0.02 0.00 0.00 175.26 177.66 3nrr s ARG 186 N -3.98 4.26 0.11 1.61 0.52 -1.19 -0.19 118.95 120.10 3nrr s ARG 186 Ca 0.15 2.32 -0.25 0.00 -0.52 0.00 0.00 55.73 57.44 3nrr s ARG 186 Cb 0.07 -3.11 -0.08 0.00 0.52 0.00 0.00 34.95 32.35 3nrr s ARG 186 CO -0.04 -0.44 1.67 0.87 0.02 0.00 0.00 175.30 177.38 3nrr h LYS 187 N 5.11 -0.28 -5.71 3.54 1.57 -0.86 -3.46 116.57 116.49 3nrr h LYS 187 Ca -0.46 0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.05 3nrr h LYS 187 Cb 1.22 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 3nrr h LYS 187 CO 0.78 -0.19 0.72 0.16 -0.57 0.00 0.00 179.45 180.36 3nrr s ASP 188 N -4.96 5.12 0.00 0.86 1.47 -1.26 -5.10 116.67 112.80 3nrr s ASP 188 Ca -0.15 -0.68 0.00 0.00 1.18 0.00 0.00 52.55 52.90 3nrr s ASP 188 Cb 0.08 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.10 3nrr s ASP 188 CO 0.66 -2.77 0.00 -0.81 0.68 0.00 0.00 175.17 172.93 3nrr n PRO 196 N 8.85 0.00 -1.68 2.11 -0.04 -1.26 -5.27 135.00 137.72 3nrr n PRO 196 Ca 0.40 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.48 3nrr n PRO 196 Cb 0.47 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.98 3nrr n PRO 196 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3nrr n PRO 197 N 0.00 1.26 -0.32 0.54 -0.02 -1.26 -4.90 135.00 130.31 3nrr n PRO 197 Ca 0.00 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 3nrr n PRO 197 Cb 0.00 -2.35 0.20 0.00 -0.02 0.00 0.00 33.50 31.33 3nrr n PRO 197 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3nrr h PHE 198 N 0.95 0.95 -0.88 6.00 3.57 -2.04 -1.48 116.94 124.02 3nrr h PHE 198 Ca -0.49 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.20 3nrr h PHE 198 Cb 1.34 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.71 3nrr h PHE 198 CO 0.41 0.36 0.57 -0.44 -2.23 0.00 0.00 178.31 176.99 3nrr h ASP 199 N 0.84 0.57 -0.80 0.41 3.32 -1.98 0.21 116.42 118.99 3nrr h ASP 199 Ca 0.44 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 3nrr h ASP 199 Cb 0.45 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 3nrr h ASP 199 CO -0.27 0.27 0.47 1.56 -1.72 0.00 0.00 179.24 179.55 3nrr h GLN 200 N 0.59 1.10 -0.09 3.56 4.20 -1.62 0.13 115.11 122.98 3nrr h GLN 200 Ca 0.45 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.92 3nrr h GLN 200 Cb 0.85 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.41 3nrr h GLN 200 CO -0.20 0.78 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.21 3nrr h LEU 201 N 1.12 0.57 -0.62 1.46 3.38 -0.93 -3.30 115.31 116.99 3nrr h LEU 201 Ca 0.29 -0.65 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 3nrr h LEU 201 Cb -0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3nrr h LEU 201 CO -0.05 1.13 0.06 0.25 0.09 0.00 0.00 178.44 179.92 3nrr h LEU 202 N 0.06 1.01 -0.45 1.67 5.85 -0.41 -3.17 115.31 119.87 3nrr h LEU 202 Ca -0.03 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3nrr h LEU 202 Cb 1.12 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3nrr h LEU 202 CO 0.10 1.04 0.00 0.23 -0.34 0.00 0.00 178.44 179.46 3nrr n MET 203 N -4.24 1.29 0.18 1.25 2.81 0.43 -2.01 117.12 116.82 3nrr n MET 203 Ca 0.03 -0.44 0.05 0.00 -1.81 0.00 0.00 57.70 55.53 3nrr n MET 203 Cb 0.31 -1.22 0.25 0.00 -0.71 0.00 0.00 33.22 31.85 3nrr n MET 203 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3nrr h THR 204 N 0.80 0.84 0.00 2.03 1.35 -1.63 -3.48 112.91 112.83 3nrr h THR 204 Ca 0.00 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 3nrr h THR 204 Cb 0.18 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3nrr h THR 204 CO 0.00 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 3nrr n GLY 205 N 0.54 0.54 3.74 5.82 0.00 -0.85 -5.02 105.19 109.96 3nrr n GLY 205 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3nrr n GLY 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nrr s THR 206 N -2.41 1.08 0.03 2.61 -4.23 -1.26 -5.06 115.64 106.40 3nrr s THR 206 Ca 0.00 -2.00 -0.38 0.00 -1.18 0.00 0.00 61.69 58.13 3nrr s THR 206 Cb 0.00 -2.16 -0.17 0.00 1.34 0.00 0.00 72.50 71.50 3nrr s THR 206 CO 0.00 0.00 1.32 -0.67 -0.54 0.00 0.00 174.62 174.73 3nrr n ASP 207 N -1.28 1.35 0.18 3.99 -0.08 -1.26 -4.83 116.55 114.61 3nrr n ASP 207 Ca -0.18 1.13 0.05 0.00 -1.51 0.00 0.00 54.79 54.27 3nrr n ASP 207 Cb 0.67 -1.13 0.27 0.00 2.34 0.00 0.00 41.12 43.27 3nrr n ASP 207 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3nrr h ILE 208 N 3.43 0.90 -3.46 5.18 3.07 -1.97 -3.39 117.51 121.26 3nrr h ILE 208 Ca -0.48 -1.70 -0.72 0.00 1.55 0.00 0.00 64.86 63.51 3nrr h ILE 208 Cb 1.35 2.04 -0.21 0.00 -0.27 0.00 0.00 36.82 39.74 3nrr h ILE 208 CO 0.77 0.41 -0.39 -0.94 -1.05 0.00 0.00 178.15 176.94 3nrr s SER 209 N -6.45 6.12 -0.29 2.16 1.04 -1.26 -5.02 113.70 110.02 3nrr s SER 209 Ca 0.01 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.50 3nrr s SER 209 Cb 0.10 -2.17 0.07 0.00 0.10 0.00 0.00 66.02 64.13 3nrr s SER 209 CO 0.70 -0.50 -0.05 -0.69 0.98 0.00 0.00 173.24 173.68 3nrr s VAL 210 N 1.71 2.15 0.22 5.02 1.01 -1.26 -5.09 120.40 124.17 3nrr s VAL 210 Ca 0.05 -1.84 -0.32 0.00 0.00 0.00 0.00 61.98 59.88 3nrr s VAL 210 Cb -0.20 -2.37 -0.14 0.00 0.00 0.00 0.00 36.38 33.67 3nrr s VAL 210 CO 0.10 -0.23 1.41 -2.65 0.00 0.00 0.00 175.10 173.72 3nrr n PRO 211 N 4.39 1.96 -1.74 2.72 -0.02 -1.26 -4.88 135.00 136.18 3nrr n PRO 211 Ca -0.08 0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 3nrr n PRO 211 Cb 0.42 -2.36 0.05 0.00 -0.02 0.00 0.00 33.50 31.59 3nrr n PRO 211 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3nrr n LYS 212 N 2.16 1.55 -1.60 -0.52 0.00 -1.26 -4.92 118.16 113.56 3nrr n LYS 212 Ca 0.13 0.58 -0.41 0.00 -0.00 0.00 0.00 58.31 58.60 3nrr n LYS 212 Cb 0.30 -2.55 0.02 0.00 -0.00 0.00 0.00 35.03 32.80 3nrr n LYS 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3nrr n PRO 213 N -1.19 1.28 0.18 -1.58 -0.04 -1.26 -4.92 135.00 127.47 3nrr n PRO 213 Ca 0.12 0.46 0.03 0.00 -0.04 0.00 0.00 63.50 64.06 3nrr n PRO 213 Cb 0.45 -2.04 0.37 0.00 -0.04 0.00 0.00 33.50 32.25 3nrr n PRO 213 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3nrr h LYS 214 N 1.40 0.04 -5.74 0.54 3.64 -1.91 -3.43 116.57 111.10 3nrr h LYS 214 Ca -0.45 -0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.29 3nrr h LYS 214 Cb 1.34 -0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.85 3nrr h LYS 214 CO 0.56 0.36 -0.86 0.71 -2.27 0.00 0.00 179.45 177.94 3nrr s TYR 215 N -4.30 2.09 -0.04 1.91 1.51 -1.26 -5.04 117.35 112.21 3nrr s TYR 215 Ca -0.03 -0.59 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 3nrr s TYR 215 Cb 0.15 -1.38 0.03 0.00 -0.11 0.00 0.00 41.96 40.65 3nrr s TYR 215 CO 0.72 -0.17 0.07 0.08 -1.11 0.00 0.00 175.55 175.14 3nrr s VAL 216 N -0.12 -0.11 0.15 0.71 1.01 -1.26 -4.69 120.40 116.10 3nrr s VAL 216 Ca -0.02 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3nrr s VAL 216 Cb -0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 36.38 36.03 3nrr s VAL 216 CO 0.03 0.14 1.25 0.00 0.00 0.00 0.00 175.10 176.52 3nrr s ALA 217 N 1.75 3.47 -1.11 5.51 0.00 -1.26 -4.21 121.76 125.91 3nrr s ALA 217 Ca -0.01 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 3nrr s ALA 217 Cb -0.12 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.57 3nrr s ALA 217 CO -0.04 -0.46 0.67 0.00 0.00 0.00 0.00 175.76 175.93 3nrr h PRO 219 N -2.02 0.00 0.00 0.00 0.13 -1.88 -1.28 132.00 126.95 3nrr h PRO 219 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 3nrr h PRO 219 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3nrr h PRO 219 CO 0.48 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.03 3nrr h GLY 220 N 1.04 0.00 -6.60 1.56 0.00 -1.87 -3.43 103.07 93.77 3nrr h GLY 220 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3nrr h GLY 220 CO 0.00 0.00 0.36 0.14 0.00 0.00 0.00 176.54 177.04 3nrr s VAL 221 N -3.28 4.76 -0.17 4.60 1.01 -0.48 -4.26 120.40 122.57 3nrr s VAL 221 Ca 0.06 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.96 3nrr s VAL 221 Cb 0.10 -4.19 -0.22 0.00 0.00 0.00 0.00 36.38 32.07 3nrr s VAL 221 CO 0.53 -0.39 0.15 -2.11 0.00 0.00 0.00 175.10 173.28 3nrr n ARG 222 N 6.35 0.70 -3.57 2.72 0.00 0.14 -4.74 116.66 118.25 3nrr n ARG 222 Ca 0.03 0.19 -0.40 0.00 -0.00 0.00 0.00 57.85 57.66 3nrr n ARG 222 Cb 0.48 -1.63 -0.11 0.00 -0.00 0.00 0.00 32.46 31.21 3nrr n ARG 222 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3nrr s ILE 223 N -2.54 4.84 -0.62 8.89 1.01 -0.83 -5.00 121.20 126.95 3nrr s ILE 223 Ca -0.23 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3nrr s ILE 223 Cb 0.08 -3.60 0.26 0.00 0.01 0.00 0.00 42.46 39.20 3nrr s ILE 223 CO 0.72 -0.13 0.77 0.54 0.00 0.00 0.00 174.94 176.84 3nrr n ARG 224 N 5.05 2.58 0.00 2.79 1.74 -1.26 -1.57 116.66 125.99 3nrr n ARG 224 Ca -0.12 -4.66 0.11 0.00 -0.77 0.00 0.00 57.85 52.41 3nrr n ARG 224 Cb 0.48 -2.22 0.01 0.00 -1.02 0.00 0.00 32.46 29.70 3nrr n ARG 224 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3nrr n ASN 225 N 0.69 0.87 -4.72 0.55 3.02 -0.33 -4.89 115.26 110.46 3nrr n ASN 225 Ca 0.30 -0.78 -0.42 0.00 -0.03 0.00 0.00 54.58 53.65 3nrr n ASN 225 Cb 0.41 0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 40.29 3nrr n ASN 225 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3nrr s HIS 226 N -2.98 2.94 0.58 3.10 2.46 -1.15 -3.29 115.29 116.95 3nrr s HIS 226 Ca 0.09 0.50 0.28 0.00 0.47 0.00 0.00 55.06 56.41 3nrr s HIS 226 Cb 0.17 -4.05 1.66 0.00 -0.13 0.00 0.00 32.58 30.23 3nrr s HIS 226 CO 0.80 -3.90 2.15 0.93 -2.47 0.00 0.00 174.74 172.26 3nrr h GLU 227 N 6.52 0.00 0.00 2.88 5.08 -1.90 -2.14 114.58 125.02 3nrr h GLU 227 Ca -0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3nrr h GLU 227 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3nrr h GLU 227 CO 0.92 0.00 -0.02 1.49 -1.00 0.00 0.00 179.01 180.40 3nrr h GLU 228 N 0.00 0.00 0.00 2.33 4.81 -1.97 -1.76 114.58 117.99 3nrr h GLU 228 Ca 0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3nrr h GLU 228 Cb 0.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3nrr h GLU 228 CO -0.00 0.02 -0.10 0.74 -0.73 0.00 0.00 179.01 178.94 3nrr h PHE 229 N 0.00 0.00 -0.30 0.92 0.04 -1.73 -1.94 116.94 113.94 3nrr h PHE 229 Ca -0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3nrr h PHE 229 Cb 0.10 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 3nrr h PHE 229 CO 0.00 0.10 0.09 1.96 -0.60 0.00 0.00 178.31 179.86 3nrr h GLN 230 N 0.00 0.21 -0.10 1.51 4.20 -1.51 0.25 115.11 119.67 3nrr h GLN 230 Ca -0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3nrr h GLN 230 Cb 0.27 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 3nrr h GLN 230 CO 0.01 0.14 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.35 3nrr h TYR 231 N 0.22 0.24 -0.78 2.96 3.20 -1.57 -2.54 116.97 118.70 3nrr h TYR 231 Ca 0.14 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3nrr h TYR 231 Cb 0.11 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3nrr h TYR 231 CO -0.14 0.55 0.30 -0.07 -1.64 0.00 0.00 178.16 177.16 3nrr h LEU 232 N -0.15 1.08 -1.12 2.82 3.38 -1.22 -0.93 115.31 119.18 3nrr h LEU 232 Ca 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3nrr h LEU 232 Cb 0.49 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3nrr h LEU 232 CO 0.01 0.97 0.55 0.44 0.09 0.00 0.00 178.44 180.50 3nrr h ASP 233 N 1.13 1.00 -0.42 -0.43 3.32 -0.53 -0.75 116.42 119.75 3nrr h ASP 233 Ca 0.26 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 3nrr h ASP 233 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3nrr h ASP 233 CO -0.02 0.75 -0.04 0.40 -1.72 0.00 0.00 179.24 178.61 3nrr h ILE 234 N 1.17 1.27 -0.53 0.35 2.04 -0.99 0.10 117.51 120.93 3nrr h ILE 234 Ca 0.31 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3nrr h ILE 234 Cb -0.10 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3nrr h ILE 234 CO -0.06 0.37 0.32 -0.07 0.00 0.00 0.00 178.15 178.71 3nrr h LEU 235 N 0.60 0.54 -0.76 1.44 3.38 -0.72 -0.38 115.31 119.40 3nrr h LEU 235 Ca 0.11 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3nrr h LEU 235 Cb 0.54 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3nrr h LEU 235 CO 0.03 0.38 0.02 0.00 0.09 0.00 0.00 178.44 178.96 3nrr h ALA 236 N 1.22 0.97 -0.40 1.53 0.00 -0.89 -1.73 119.26 119.95 3nrr h ALA 236 Ca 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3nrr h ALA 236 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3nrr h ALA 236 CO -0.08 0.63 0.16 0.22 0.00 0.00 0.00 179.25 180.19 3nrr h ASP 237 N 0.89 0.55 -0.38 0.00 3.58 -0.29 0.95 116.42 121.73 3nrr h ASP 237 Ca 0.17 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.38 3nrr h ASP 237 Cb 0.49 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 3nrr h ASP 237 CO 0.02 0.56 -0.08 0.58 -2.88 0.00 0.00 179.24 177.45 3nrr h VAL 238 N 0.50 1.27 -0.74 2.25 2.07 -1.02 0.14 116.25 120.72 3nrr h VAL 238 Ca 0.13 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3nrr h VAL 238 Cb 0.18 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3nrr h VAL 238 CO -0.01 0.38 0.27 -0.07 0.02 0.00 0.00 177.57 178.16 3nrr h LEU 239 N 0.53 1.04 -0.23 2.57 3.38 -1.22 0.20 115.31 121.58 3nrr h LEU 239 Ca 0.10 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3nrr h LEU 239 Cb 0.58 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3nrr h LEU 239 CO 0.03 0.94 -0.39 0.28 0.09 0.00 0.00 178.44 179.39 3nrr h SER 240 N 1.09 0.74 0.00 -0.43 0.02 -0.55 -3.41 113.55 111.01 3nrr h SER 240 Ca 0.25 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3nrr h SER 240 Cb 0.25 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3nrr h SER 240 CO -0.02 1.13 0.00 1.41 -1.14 0.00 0.00 176.83 178.22 3nrr n HIS 241 N -4.22 0.00 -2.43 3.45 8.25 0.46 -4.73 115.22 115.99 3nrr n HIS 241 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 3nrr n HIS 241 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 3nrr n HIS 241 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3nrr s GLY 242 N -0.10 2.58 -0.03 -1.41 0.00 0.70 -4.96 107.32 104.10 3nrr s GLY 242 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 44.72 45.20 3nrr s GLY 242 CO 0.00 1.05 0.67 0.14 0.00 0.00 0.00 173.10 174.95 3nrr s VAL 243 N -1.87 4.95 -0.26 1.40 1.01 -0.01 -4.62 120.40 121.00 3nrr s VAL 243 Ca 0.69 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.77 3nrr s VAL 243 Cb -0.20 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3nrr s VAL 243 CO 0.23 0.33 1.10 -0.22 0.00 0.00 0.00 175.10 176.54 3nrr s LEU 244 N 0.33 4.04 0.06 3.92 2.96 -1.26 -0.70 118.68 128.03 3nrr s LEU 244 Ca 0.35 1.30 -0.05 0.00 -0.22 0.00 0.00 54.13 55.50 3nrr s LEU 244 Cb -0.18 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3nrr s LEU 244 CO 0.18 -0.79 0.09 -1.59 -1.32 0.00 0.00 176.35 172.93 3nrr s LYS 245 N 3.47 0.69 0.96 1.98 -2.85 -0.45 -4.97 119.74 118.56 3nrr s LYS 245 Ca 0.47 -0.95 -0.12 0.00 -1.00 0.00 0.00 55.97 54.36 3nrr s LYS 245 Cb -0.15 0.26 0.17 0.00 -2.06 0.00 0.00 37.83 36.05 3nrr s LYS 245 CO 0.12 -0.18 1.10 -2.14 0.10 0.00 0.00 175.35 174.34 3nrr s PRO 246 N -3.42 0.74 0.36 1.78 0.02 -1.26 -1.60 135.00 131.63 3nrr s PRO 246 Ca 0.02 0.59 -0.13 0.00 0.02 0.00 0.00 61.00 61.51 3nrr s PRO 246 Cb 0.04 -1.77 0.05 0.00 0.02 0.00 0.00 34.50 32.84 3nrr s PRO 246 CO -0.08 -2.54 0.71 0.27 -0.33 0.00 0.00 177.00 175.03 3nrr n ASN 247 N -4.05 -2.05 -0.24 2.53 0.23 -1.26 -4.82 115.26 105.59 3nrr n ASN 247 Ca 0.06 -2.51 0.19 0.00 -0.53 0.00 0.00 54.58 51.79 3nrr n ASN 247 Cb 0.57 3.45 0.52 0.00 -2.08 0.00 0.00 39.78 42.23 3nrr n ASN 247 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3nrr h ARG 248 N 0.00 0.38 0.00 -3.83 2.43 -1.98 -2.63 114.38 108.75 3nrr h ARG 248 Ca -0.31 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 3nrr h ARG 248 Cb 1.15 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3nrr h ARG 248 CO 0.39 0.25 -0.16 1.79 -1.51 0.00 0.00 179.97 180.73 3nrr h THR 249 N 0.39 0.32 0.00 0.20 1.35 -1.96 -3.47 112.91 109.74 3nrr h THR 249 Ca 0.47 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3nrr h THR 249 Cb 1.19 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 3nrr h THR 249 CO -0.18 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 3nrr n GLY 250 N 0.71 0.69 3.49 5.82 0.00 -0.99 -4.93 105.19 109.98 3nrr n GLY 250 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3nrr n GLY 250 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nrr s THR 251 N -2.86 4.22 0.79 2.61 2.01 -1.26 -5.04 115.64 116.10 3nrr s THR 251 Ca 0.00 -0.22 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 3nrr s THR 251 Cb 0.00 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.66 3nrr s THR 251 CO 0.00 0.42 1.09 -1.81 -0.69 0.00 0.00 174.62 173.63 3nrr s ASP 252 N 0.95 4.37 0.01 3.53 1.01 -1.26 -4.62 116.67 120.66 3nrr s ASP 252 Ca 0.02 1.79 0.01 0.00 0.71 0.00 0.00 52.55 55.08 3nrr s ASP 252 Cb -0.14 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 3nrr s ASP 252 CO 0.02 -2.12 -0.03 0.00 0.21 0.00 0.00 175.17 173.26 3nrr s ALA 253 N -2.91 0.20 0.06 5.23 0.00 -0.63 -1.31 121.76 122.41 3nrr s ALA 253 Ca 0.61 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 3nrr s ALA 253 Cb -0.17 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 3nrr s ALA 253 CO 0.56 0.00 1.17 0.71 0.00 0.00 0.00 175.76 178.20 3nrr s TYR 254 N -0.40 3.47 0.02 0.00 2.02 -0.14 -1.34 117.35 120.99 3nrr s TYR 254 Ca -0.03 1.36 0.03 0.00 -0.37 0.00 0.00 57.07 58.06 3nrr s TYR 254 Cb -0.03 -3.38 -0.01 0.00 -0.40 0.00 0.00 41.96 38.14 3nrr s TYR 254 CO -0.00 -1.09 -0.09 0.45 -1.57 0.00 0.00 175.55 173.25 3nrr s SER 255 N 1.01 1.00 0.01 2.29 0.15 0.12 -0.78 113.70 117.50 3nrr s SER 255 Ca 0.57 -0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.83 3nrr s SER 255 Cb -0.28 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 3nrr s SER 255 CO 0.29 0.00 0.19 -0.75 1.20 0.00 0.00 173.24 174.18 3nrr s LYS 256 N -0.72 0.60 -0.14 5.44 2.20 -0.60 -0.83 119.74 125.68 3nrr s LYS 256 Ca -0.01 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 3nrr s LYS 256 Cb -0.06 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 3nrr s LYS 256 CO 0.00 -0.16 -0.10 0.12 -0.36 0.00 0.00 175.35 174.86 3nrr s PHE 257 N -1.77 2.89 0.00 4.03 5.36 -1.26 -1.42 117.98 125.81 3nrr s PHE 257 Ca -0.11 -0.53 0.00 0.00 -0.96 0.00 0.00 56.93 55.33 3nrr s PHE 257 Cb -0.05 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.74 3nrr s PHE 257 CO 0.00 -0.15 0.00 0.41 -1.46 0.00 0.00 175.22 174.02 3nrr n GLY 258 N 3.54 -1.35 3.27 13.12 0.00 -0.59 -5.02 105.19 118.16 3nrr n GLY 258 Ca -0.18 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 3nrr n GLY 258 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3nrr s TYR 259 N 0.00 1.34 -0.13 1.61 1.51 -0.16 -4.99 117.35 116.53 3nrr s TYR 259 Ca 0.00 -1.08 -0.04 0.00 -1.01 0.00 0.00 57.07 54.93 3nrr s TYR 259 Cb 0.00 -0.77 0.06 0.00 -0.11 0.00 0.00 41.96 41.14 3nrr s TYR 259 CO 0.00 -0.26 0.24 -1.14 -1.11 0.00 0.00 175.55 173.28 3nrr s GLN 260 N -3.96 0.13 0.13 -0.62 0.74 -1.26 -1.42 119.66 113.40 3nrr s GLN 260 Ca 0.30 0.64 0.06 0.00 0.05 0.00 0.00 55.36 56.41 3nrr s GLN 260 Cb 0.07 -0.23 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 3nrr s GLN 260 CO 0.08 -0.34 -0.02 -1.64 -0.55 0.00 0.00 175.29 172.82 3nrr s MET 261 N 2.38 2.39 0.03 1.67 -1.94 -0.13 -4.96 119.30 118.75 3nrr s MET 261 Ca 0.02 -0.99 0.02 0.00 -1.71 0.00 0.00 55.69 53.04 3nrr s MET 261 Cb -0.12 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.28 3nrr s MET 261 CO -0.08 0.50 -0.07 -0.98 -0.01 0.00 0.00 175.02 174.37 3nrr s ARG 262 N -2.54 0.52 -0.06 2.03 1.70 -1.26 -0.69 118.95 118.64 3nrr s ARG 262 Ca 0.25 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 3nrr s ARG 262 Cb -0.11 -0.33 0.02 0.00 -0.57 0.00 0.00 34.95 33.97 3nrr s ARG 262 CO 0.17 0.07 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.36 3nrr s PHE 263 N -1.12 0.89 -0.69 5.89 0.08 0.12 -4.97 117.98 118.18 3nrr s PHE 263 Ca -0.07 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.41 3nrr s PHE 263 Cb -0.08 -0.81 0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3nrr s PHE 263 CO 0.00 -0.27 1.21 0.34 -0.10 0.00 0.00 175.22 176.40 3nrr s ASP 264 N 1.24 6.23 0.01 1.36 -1.08 -1.26 -1.04 116.67 122.13 3nrr s ASP 264 Ca -0.06 -0.38 0.24 0.00 -0.52 0.00 0.00 52.55 51.84 3nrr s ASP 264 Cb -0.14 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.81 3nrr s ASP 264 CO -0.02 -1.69 1.77 0.18 0.52 0.00 0.00 175.17 175.94 3nrr n LEU 265 N 8.91 0.03 0.19 -1.34 4.77 0.04 -2.47 117.00 127.12 3nrr n LEU 265 Ca 0.03 0.50 0.05 0.00 -0.03 0.00 0.00 56.01 56.57 3nrr n LEU 265 Cb 0.49 -0.50 0.34 0.00 -2.33 0.00 0.00 43.42 41.42 3nrr n LEU 265 CO 0.70 -0.09 0.68 0.77 -1.33 0.00 0.00 177.39 178.12 3nrr h SER 266 N 0.00 0.00 0.05 -1.43 4.64 -1.69 -3.37 113.55 111.75 3nrr h SER 266 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3nrr h SER 266 Cb 0.42 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.47 3nrr h SER 266 CO 0.00 0.38 -2.23 0.54 -0.87 0.00 0.00 176.83 174.65 3nrr n ARG 267 N -3.58 0.69 -3.89 4.77 1.74 -1.03 -4.89 116.66 110.46 3nrr n ARG 267 Ca -0.00 0.22 -0.08 0.00 -0.77 0.00 0.00 57.85 57.22 3nrr n ARG 267 Cb 0.50 -1.61 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 3nrr n ARG 267 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3nrr s SER 268 N -6.81 -0.09 -0.26 0.55 1.04 -1.18 -3.20 113.70 103.74 3nrr s SER 268 Ca -0.30 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.21 3nrr s SER 268 Cb 0.08 0.72 -0.01 0.00 0.10 0.00 0.00 66.02 66.92 3nrr s SER 268 CO 0.66 -1.38 0.04 0.12 0.98 0.00 0.00 173.24 173.67 3nrr s PHE 269 N -3.53 3.08 -1.47 5.02 5.36 0.26 -4.38 117.98 122.32 3nrr s PHE 269 Ca 0.16 -0.79 -0.12 0.00 -0.96 0.00 0.00 56.93 55.21 3nrr s PHE 269 Cb -0.04 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 3nrr s PHE 269 CO 0.09 -0.50 2.50 -0.35 -1.46 0.00 0.00 175.22 175.51 3nrr n PRO 270 N 4.87 3.09 -3.22 10.12 -0.04 -1.26 -3.70 135.00 144.85 3nrr n PRO 270 Ca -0.16 -2.36 -0.41 0.00 -0.04 0.00 0.00 63.50 60.54 3nrr n PRO 270 Cb 0.50 -3.04 -0.08 0.00 -0.04 0.00 0.00 33.50 30.84 3nrr n PRO 270 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3nrr s LEU 271 N 1.25 4.25 0.30 1.53 2.96 -1.26 -4.28 118.68 123.43 3nrr s LEU 271 Ca 0.56 0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 54.34 3nrr s LEU 271 Cb 0.15 -2.63 -0.14 0.00 0.50 0.00 0.00 46.19 44.08 3nrr s LEU 271 CO -0.07 -0.44 1.10 0.18 -1.32 0.00 0.00 176.35 175.81 3nrr n LEU 272 N 5.73 2.34 -0.00 -0.68 4.77 -1.26 -4.70 117.00 123.19 3nrr n LEU 272 Ca -0.04 1.19 0.09 0.00 -0.03 0.00 0.00 56.01 57.22 3nrr n LEU 272 Cb 0.49 -1.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.11 3nrr n LEU 272 CO 0.44 -1.11 -0.31 0.35 -1.33 0.00 0.00 177.39 175.44 3nrr n THR 273 N 0.31 0.00 1.46 -5.08 -2.24 -1.26 -4.42 114.28 103.05 3nrr n THR 273 Ca 0.08 -0.21 0.14 0.00 -2.27 0.00 0.00 64.05 61.80 3nrr n THR 273 Cb 0.33 0.64 0.76 0.00 -2.10 0.00 0.00 70.33 69.96 3nrr n THR 273 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3nrr n THR 274 N -1.72 0.04 -3.63 4.28 -2.24 -1.26 -0.77 114.28 108.98 3nrr n THR 274 Ca 0.01 0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 3nrr n THR 274 Cb 0.37 -0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 3nrr n THR 274 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3nrr s LYS 275 N -2.46 1.04 -0.19 -0.78 -2.85 -1.26 -4.68 119.74 108.55 3nrr s LYS 275 Ca 0.31 -0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 54.37 3nrr s LYS 275 Cb 0.20 0.46 -0.00 0.00 -2.06 0.00 0.00 37.83 36.42 3nrr s LYS 275 CO 0.42 -0.40 1.18 0.21 0.10 0.00 0.00 175.35 176.87 3nrr s LYS 276 N -3.46 4.24 -0.12 1.78 2.20 -0.97 -4.67 119.74 118.73 3nrr s LYS 276 Ca 0.01 1.55 -0.07 0.00 -0.36 0.00 0.00 55.97 57.09 3nrr s LYS 276 Cb 0.01 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 3nrr s LYS 276 CO -0.10 -0.69 0.13 0.08 -0.36 0.00 0.00 175.35 174.42 3nrr s VAL 277 N 3.41 5.44 -1.18 4.02 1.01 -1.26 -4.60 120.40 127.24 3nrr s VAL 277 Ca 0.51 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 3nrr s VAL 277 Cb -0.19 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3nrr s VAL 277 CO 0.12 0.61 1.96 0.00 0.00 0.00 0.00 175.10 177.78 3nrr n ALA 278 N 2.07 3.61 -0.34 5.51 0.00 -1.26 -4.79 120.51 125.32 3nrr n ALA 278 Ca -0.20 -3.53 0.03 0.00 0.00 0.00 0.00 53.44 49.74 3nrr n ALA 278 Cb 0.55 -3.57 0.18 0.00 0.00 0.00 0.00 19.45 16.60 3nrr n ALA 278 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3nrr h LEU 279 N 13.40 0.91 -0.64 0.00 5.85 -2.00 -2.34 115.31 130.48 3nrr h LEU 279 Ca 0.42 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.25 3nrr h LEU 279 Cb 0.77 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 3nrr h LEU 279 CO 1.65 0.56 0.29 -0.09 -0.34 0.00 0.00 178.44 180.50 3nrr h ARG 280 N 1.03 0.50 -0.70 1.25 2.43 -2.00 -0.67 114.38 116.21 3nrr h ARG 280 Ca 0.42 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.51 3nrr h ARG 280 Cb 0.25 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3nrr h ARG 280 CO -0.20 0.33 0.22 0.77 -1.51 0.00 0.00 179.97 179.58 3nrr h SER 281 N 0.51 1.01 -0.37 -3.80 0.02 -1.81 -1.72 113.55 107.40 3nrr h SER 281 Ca 0.31 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3nrr h SER 281 Cb 0.33 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3nrr h SER 281 CO -0.26 0.94 0.22 0.40 -1.14 0.00 0.00 176.83 176.99 3nrr h ILE 282 N 1.04 1.05 -0.35 3.27 2.04 -1.15 -1.05 117.51 122.37 3nrr h ILE 282 Ca 0.23 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 3nrr h ILE 282 Cb 0.29 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3nrr h ILE 282 CO -0.01 0.08 -0.04 0.40 0.00 0.00 0.00 178.15 178.58 3nrr h ILE 283 N 0.45 1.27 -0.59 -0.67 2.04 -1.01 -1.19 117.51 117.81 3nrr h ILE 283 Ca 0.14 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.86 3nrr h ILE 283 Cb -0.01 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3nrr h ILE 283 CO -0.06 0.35 0.04 -0.33 0.00 0.00 0.00 178.15 178.15 3nrr h GLU 284 N 0.45 1.01 -0.70 2.37 4.39 -1.19 -1.08 114.58 119.83 3nrr h GLU 284 Ca 0.09 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 3nrr h GLU 284 Cb 0.52 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 3nrr h GLU 284 CO 0.03 0.96 0.37 1.49 -1.16 0.00 0.00 179.01 180.70 3nrr h GLU 285 N 0.93 0.98 -0.51 2.33 4.81 -1.03 -1.59 114.58 120.49 3nrr h GLU 285 Ca 0.18 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3nrr h GLU 285 Cb 0.49 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3nrr h GLU 285 CO 0.02 0.74 0.12 1.25 -0.73 0.00 0.00 179.01 180.42 3nrr h LEU 286 N 0.96 0.78 -1.37 1.64 5.85 -0.74 -1.32 115.31 121.11 3nrr h LEU 286 Ca 0.24 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3nrr h LEU 286 Cb 0.06 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3nrr h LEU 286 CO -0.04 0.81 0.33 -0.07 -0.34 0.00 0.00 178.44 179.13 3nrr h LEU 287 N 0.71 0.67 -0.25 2.25 3.38 -1.00 -0.69 115.31 120.38 3nrr h LEU 287 Ca 0.16 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3nrr h LEU 287 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3nrr h LEU 287 CO 0.00 0.52 -0.01 -0.25 0.09 0.00 0.00 178.44 178.79 3nrr h TRP 288 N 0.77 0.49 -0.02 1.13 7.01 -0.94 -1.72 115.95 122.66 3nrr h TRP 288 Ca 0.20 -0.09 0.03 0.00 2.11 0.00 0.00 58.89 61.14 3nrr h TRP 288 Cb -0.02 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 3nrr h TRP 288 CO 0.00 0.62 -0.16 0.74 -2.79 0.00 0.00 178.44 176.85 3nrr h PHE 289 N 0.22 -0.42 -0.74 2.65 0.04 -0.76 -2.54 116.94 115.39 3nrr h PHE 289 Ca 0.07 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.91 3nrr h PHE 289 Cb 0.43 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.72 3nrr h PHE 289 CO 0.04 -0.24 0.44 0.82 -0.60 0.00 0.00 178.31 178.77 3nrr h ILE 290 N -0.26 1.02 0.00 -0.55 2.04 -1.03 -0.30 117.51 118.44 3nrr h ILE 290 Ca 0.06 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3nrr h ILE 290 Cb 0.33 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3nrr h ILE 290 CO -0.17 0.15 0.00 2.29 0.00 0.00 0.00 178.15 180.42 3nrr n LYS 291 N -4.70 0.57 -1.15 2.37 2.85 -0.66 -4.87 118.16 112.56 3nrr n LYS 291 Ca 0.10 0.02 -0.04 0.00 -1.05 0.00 0.00 58.31 57.34 3nrr n LYS 291 Cb 0.15 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.02 3nrr n LYS 291 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3nrr n GLY 292 N 0.31 0.65 3.78 2.58 0.00 -0.12 -5.01 105.19 107.39 3nrr n GLY 292 Ca 0.14 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 3nrr n GLY 292 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3nrr s SER 293 N -2.95 7.12 0.00 1.61 0.15 -0.98 -3.69 113.70 114.95 3nrr s SER 293 Ca 0.00 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.57 3nrr s SER 293 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3nrr s SER 293 CO 0.00 -0.23 0.98 0.35 1.20 0.00 0.00 173.24 175.54 3nrr n THR 294 N 0.30 0.96 -3.45 6.45 -2.24 -1.26 -4.43 114.28 110.61 3nrr n THR 294 Ca 0.03 -0.97 -0.43 0.00 -2.27 0.00 0.00 64.05 60.41 3nrr n THR 294 Cb 0.50 0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 69.16 3nrr n THR 294 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3nrr s ASN 295 N -0.96 6.10 0.58 3.42 3.84 -1.26 -1.95 114.94 124.71 3nrr s ASN 295 Ca 0.00 -1.01 0.34 0.00 0.21 0.00 0.00 52.86 52.40 3nrr s ASN 295 Cb 0.00 -2.16 1.74 0.00 -0.55 0.00 0.00 41.25 40.28 3nrr s ASN 295 CO 0.00 -0.50 2.15 1.23 -2.79 0.00 0.00 177.10 177.20 3nrr h GLY 296 N 8.65 0.00 2.00 1.21 0.00 -1.48 -1.65 103.07 111.81 3nrr h GLY 296 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3nrr h GLY 296 CO 0.76 0.00 -0.15 3.43 0.00 0.00 0.00 176.54 180.59 3nrr h ASN 297 N 0.00 0.00 0.26 0.19 2.35 -1.92 -1.51 115.58 114.95 3nrr h ASN 297 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3nrr h ASN 297 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3nrr h ASN 297 CO 0.01 0.15 -0.21 0.44 -1.65 0.00 0.00 177.43 176.17 3nrr h ASP 298 N 0.00 0.00 0.15 5.81 3.32 -1.69 0.17 116.42 124.18 3nrr h ASP 298 Ca -0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.77 3nrr h ASP 298 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.86 3nrr h ASP 298 CO 0.02 0.21 -1.33 -0.07 -1.72 0.00 0.00 179.24 176.35 3nrr h LEU 299 N 0.00 0.49 -1.14 1.55 3.38 -1.53 -3.32 115.31 114.74 3nrr h LEU 299 Ca -0.00 -0.90 0.11 0.00 0.09 0.00 0.00 57.88 57.18 3nrr h LEU 299 Cb 0.39 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3nrr h LEU 299 CO 0.03 1.60 0.60 -0.07 0.09 0.00 0.00 178.44 180.69 3nrr h LEU 300 N -0.21 0.84 -1.86 1.67 3.38 -1.04 -0.48 115.31 117.61 3nrr h LEU 300 Ca -0.27 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3nrr h LEU 300 Cb 1.83 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3nrr h LEU 300 CO 0.12 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.13 3nrr h ALA 301 N 1.55 1.00 -0.48 1.53 0.00 -1.06 -0.20 119.26 121.59 3nrr h ALA 301 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3nrr h ALA 301 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3nrr h ALA 301 CO -0.21 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.67 3nrr n LYS 302 N -2.80 4.08 -3.70 0.00 5.02 -0.26 -4.95 118.16 115.54 3nrr n LYS 302 Ca -0.01 -2.99 -0.25 0.00 -2.02 0.00 0.00 58.31 53.04 3nrr n LYS 302 Cb 0.16 -2.05 0.06 0.00 -0.02 0.00 0.00 35.03 33.18 3nrr n LYS 302 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3nrr n ASN 303 N 0.35 -4.69 -4.02 4.39 5.15 -0.09 -5.00 115.26 111.36 3nrr n ASN 303 Ca 0.25 -0.67 -0.30 0.00 -0.60 0.00 0.00 54.58 53.26 3nrr n ASN 303 Cb 1.04 -4.53 -0.16 0.00 -0.53 0.00 0.00 39.78 35.59 3nrr n ASN 303 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3nrr s VAL 304 N -3.36 1.62 -0.17 3.44 1.01 -0.74 -5.00 120.40 117.21 3nrr s VAL 304 Ca 0.47 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.81 3nrr s VAL 304 Cb -0.22 -1.56 0.20 0.00 0.00 0.00 0.00 36.38 34.80 3nrr s VAL 304 CO 0.77 0.40 1.13 0.54 0.00 0.00 0.00 175.10 177.94 3nrr n ARG 305 N 4.74 2.33 0.25 2.72 1.74 -1.26 -3.04 116.66 124.15 3nrr n ARG 305 Ca -0.17 -2.11 0.10 0.00 -0.77 0.00 0.00 57.85 54.91 3nrr n ARG 305 Cb 0.49 -1.31 0.66 0.00 -1.02 0.00 0.00 32.46 31.29 3nrr n ARG 305 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3nrr h ILE 306 N 0.41 0.75 -0.41 0.55 3.07 -1.96 -1.98 117.51 117.94 3nrr h ILE 306 Ca 0.00 -0.56 0.00 0.00 1.55 0.00 0.00 64.86 65.85 3nrr h ILE 306 Cb 0.81 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 3nrr h ILE 306 CO 0.02 0.14 0.00 0.79 -1.05 0.00 0.00 178.15 178.05 3nrr n TRP 307 N -3.86 0.53 -0.11 0.16 7.02 -1.26 -4.69 117.44 115.23 3nrr n TRP 307 Ca -0.02 -0.29 -0.12 0.00 -1.02 0.00 0.00 57.50 56.05 3nrr n TRP 307 Cb 0.24 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.09 3nrr n TRP 307 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3nrr h GLU 308 N 4.08 0.68 -0.05 -0.99 4.81 -1.69 -2.72 114.58 118.70 3nrr h GLU 308 Ca 0.00 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 3nrr h GLU 308 Cb 0.93 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3nrr h GLU 308 CO 0.00 0.89 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.77 3nrr h LEU 309 N 0.44 0.09 -0.02 1.64 3.38 -1.84 -2.23 115.31 116.77 3nrr h LEU 309 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3nrr h LEU 309 Cb 0.68 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3nrr h LEU 309 CO 0.05 0.42 0.00 0.59 0.09 0.00 0.00 178.44 179.58 3nrr n ASN 310 N -4.12 0.05 -0.75 -0.43 4.13 -1.03 -2.66 115.26 110.44 3nrr n ASN 310 Ca -0.02 0.51 0.08 0.00 1.68 0.00 0.00 54.58 56.83 3nrr n ASN 310 Cb 0.39 -0.52 0.12 0.00 -1.54 0.00 0.00 39.78 38.22 3nrr n ASN 310 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3nrr n GLY 311 N 0.95 0.94 3.78 7.41 0.00 -0.85 -4.72 105.19 112.70 3nrr n GLY 311 Ca 0.06 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3nrr n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nrr s ARG 312 N -1.27 4.29 0.27 1.61 0.52 -1.09 -0.61 118.95 122.67 3nrr s ARG 312 Ca 0.24 1.46 -0.08 0.00 -0.52 0.00 0.00 55.73 56.83 3nrr s ARG 312 Cb 0.15 -2.61 0.45 0.00 0.52 0.00 0.00 34.95 33.46 3nrr s ARG 312 CO 0.22 -0.02 1.57 -0.09 0.02 0.00 0.00 175.30 176.99 3nrr h ARG 313 N 2.68 0.00 -0.77 3.54 9.65 -1.94 0.10 114.38 127.65 3nrr h ARG 313 Ca -0.48 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.37 3nrr h ARG 313 Cb 1.21 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.75 3nrr h ARG 313 CO 0.63 0.00 0.36 -0.44 2.80 0.00 0.00 179.97 183.32 3nrr h ASP 314 N 0.00 1.01 0.00 -3.80 3.32 -1.93 0.28 116.42 115.30 3nrr h ASP 314 Ca 0.47 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 57.23 3nrr h ASP 314 Cb 0.72 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.03 3nrr h ASP 314 CO -0.99 0.86 -0.64 0.15 -1.72 0.00 0.00 179.24 176.89 3nrr h PHE 315 N 1.10 0.65 -0.06 4.55 3.57 -1.52 -2.61 116.94 122.61 3nrr h PHE 315 Ca 0.26 -0.35 0.02 0.00 3.53 0.00 0.00 57.97 61.43 3nrr h PHE 315 Cb 0.13 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3nrr h PHE 315 CO 0.01 1.17 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.15 3nrr h LEU 316 N -0.07 -0.15 -1.19 0.59 3.38 -0.53 -1.86 115.31 115.48 3nrr h LEU 316 Ca -0.08 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3nrr h LEU 316 Cb 1.35 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 3nrr h LEU 316 CO 0.13 -0.07 -0.36 0.44 0.09 0.00 0.00 178.44 178.67 3nrr h ASP 317 N -0.06 0.00 1.20 -0.43 3.32 -0.54 0.46 116.42 120.38 3nrr h ASP 317 Ca 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 3nrr h ASP 317 Cb 0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3nrr h ASP 317 CO -0.09 0.36 -0.63 0.11 -1.72 0.00 0.00 179.24 177.26 3nrr h LYS 318 N 0.00 0.00 -0.46 3.56 6.56 -1.31 -3.29 116.57 121.62 3nrr h LYS 318 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3nrr h LYS 318 Cb 0.74 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 3nrr h LYS 318 CO 0.05 0.63 0.00 0.09 -2.06 0.00 0.00 179.45 178.16 3nrr n ASN 319 N -3.34 4.57 0.00 0.86 3.02 -0.71 -4.96 115.26 114.69 3nrr n ASN 319 Ca 0.01 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 3nrr n ASN 319 Cb 0.75 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3nrr n ASN 319 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nrr n GLY 320 N 0.36 0.62 2.76 7.41 0.00 -0.84 -4.98 105.19 110.52 3nrr n GLY 320 Ca 0.23 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3nrr n GLY 320 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nrr n PHE 321 N -2.68 2.86 0.25 1.61 3.72 0.16 -4.78 117.46 118.60 3nrr n PHE 321 Ca 0.00 -2.46 0.13 0.00 -0.05 0.00 0.00 57.45 55.08 3nrr n PHE 321 Cb 0.00 -1.20 0.60 0.00 -0.94 0.00 0.00 39.48 37.95 3nrr n PHE 321 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3nrr h THR 322 N 2.12 0.33 -0.49 4.37 1.35 -1.88 -2.66 112.91 116.05 3nrr h THR 322 Ca 0.55 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3nrr h THR 322 Cb 0.19 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3nrr h THR 322 CO 1.29 0.12 0.00 0.47 -0.25 0.00 0.00 175.52 177.15 3nrr n ASP 323 N -3.30 3.48 -4.80 5.36 10.43 -1.26 -4.95 116.55 121.51 3nrr n ASP 323 Ca -0.00 -1.98 -0.39 0.00 2.57 0.00 0.00 54.79 54.99 3nrr n ASP 323 Cb 0.35 -0.32 -0.06 0.00 1.84 0.00 0.00 41.12 42.93 3nrr n ASP 323 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3nrr s ARG 324 N -1.35 4.22 0.56 -1.24 1.81 -1.00 -5.06 118.95 116.89 3nrr s ARG 324 Ca 0.41 0.70 -0.20 0.00 -1.72 0.00 0.00 55.73 54.93 3nrr s ARG 324 Cb 0.23 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.42 3nrr s ARG 324 CO 0.32 0.55 1.27 -2.00 -0.68 0.00 0.00 175.30 174.76 3nrr s GLU 325 N -0.78 3.08 0.26 3.54 2.12 -1.26 -4.94 118.70 120.72 3nrr s GLU 325 Ca 0.29 2.01 -0.30 0.00 0.36 0.00 0.00 54.97 57.33 3nrr s GLU 325 Cb -0.19 -2.11 -0.13 0.00 0.26 0.00 0.00 34.13 31.96 3nrr s GLU 325 CO 0.18 -1.17 1.37 -1.91 -0.54 0.00 0.00 175.26 173.19 3nrr n GLU 326 N -1.27 2.03 -1.02 4.30 2.13 -1.26 -1.97 120.64 123.58 3nrr n GLU 326 Ca 0.12 0.72 -0.01 0.00 0.66 0.00 0.00 57.16 58.65 3nrr n GLU 326 Cb 0.47 -2.35 -0.00 0.00 0.27 0.00 0.00 31.44 29.83 3nrr n GLU 326 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3nrr n HIS 327 N 1.55 0.00 -2.72 4.31 8.25 0.22 -4.93 115.22 121.89 3nrr n HIS 327 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3nrr n HIS 327 Cb 0.32 -1.31 -0.03 0.00 1.12 0.00 0.00 29.99 30.08 3nrr n HIS 327 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3nrr s ASP 328 N -2.05 6.21 0.00 0.41 -1.08 -0.83 -1.09 116.67 118.23 3nrr s ASP 328 Ca 0.00 -0.63 0.28 0.00 -0.52 0.00 0.00 52.55 51.69 3nrr s ASP 328 Cb 0.00 -2.48 1.12 0.00 -1.46 0.00 0.00 42.92 40.09 3nrr s ASP 328 CO 0.00 -1.56 1.81 0.18 0.52 0.00 0.00 175.17 176.12 3nrr n LEU 329 N 8.33 0.33 0.00 -1.34 4.77 -0.82 -4.82 117.00 123.45 3nrr n LEU 329 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3nrr n LEU 329 Cb 0.47 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3nrr n LEU 329 CO 0.67 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3nrr n GLY 330 N 1.38 -1.75 2.49 -0.72 0.00 -1.26 -1.59 105.19 103.73 3nrr n GLY 330 Ca 0.11 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 3nrr n GLY 330 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nrr n PRO 331 N 0.00 3.34 -0.23 1.61 -0.04 -1.26 -4.76 135.00 133.67 3nrr n PRO 331 Ca 0.00 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 3nrr n PRO 331 Cb 0.00 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 3nrr n PRO 331 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3nrr n ILE 332 N 4.23 0.00 -0.23 0.52 -5.35 -1.26 -4.58 119.36 112.68 3nrr n ILE 332 Ca 0.67 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 63.10 3nrr n ILE 332 Cb 0.30 -1.59 -0.04 0.00 -1.74 0.00 0.00 39.64 36.57 3nrr n ILE 332 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3nrr n TYR 333 N -0.87 -0.19 -0.28 4.28 4.01 -1.26 -1.10 117.16 121.75 3nrr n TYR 333 Ca 0.00 0.70 -0.06 0.00 -0.16 0.00 0.00 57.90 58.37 3nrr n TYR 333 Cb 0.00 -0.58 0.06 0.00 -0.31 0.00 0.00 39.34 38.51 3nrr n TYR 333 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3nrr h GLY 334 N 0.00 1.27 1.01 2.72 0.00 -1.77 -1.01 103.07 105.28 3nrr h GLY 334 Ca 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3nrr h GLY 334 CO -0.53 0.69 0.55 -2.75 0.00 0.00 0.00 176.54 174.50 3nrr h PHE 335 N 1.14 1.09 -0.12 5.60 3.57 -1.19 -2.50 116.94 124.52 3nrr h PHE 335 Ca 0.25 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.55 3nrr h PHE 335 Cb 0.29 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 38.67 3nrr h PHE 335 CO 0.02 0.70 -0.78 1.96 -2.23 0.00 0.00 178.31 177.99 3nrr h GLN 336 N 1.16 0.66 -0.62 1.11 1.08 -1.15 0.61 115.11 117.96 3nrr h GLN 336 Ca 0.31 -0.55 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 3nrr h GLN 336 Cb -0.11 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 3nrr h GLN 336 CO -0.06 1.17 0.36 -1.49 -0.95 0.00 0.00 178.83 177.85 3nrr h TRP 337 N 0.45 0.82 0.00 2.96 4.06 -1.05 -2.98 115.95 120.20 3nrr h TRP 337 Ca -0.05 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 3nrr h TRP 337 Cb 1.39 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3nrr h TRP 337 CO 0.07 0.56 -1.24 0.54 -3.56 0.00 0.00 178.44 174.81 3nrr n ARG 338 N -4.40 1.05 -1.90 0.49 5.12 -0.95 -1.52 116.66 114.55 3nrr n ARG 338 Ca 0.06 -0.07 0.02 0.00 -1.93 0.00 0.00 57.85 55.93 3nrr n ARG 338 Cb 0.08 -1.17 0.03 0.00 -1.16 0.00 0.00 32.46 30.24 3nrr n ARG 338 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3nrr n HIS 339 N -1.71 0.28 -1.66 -1.55 8.25 0.21 -3.26 115.22 115.78 3nrr n HIS 339 Ca -0.01 -1.03 -0.51 0.00 -0.26 0.00 0.00 57.72 55.91 3nrr n HIS 339 Cb 0.23 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.24 3nrr n HIS 339 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3nrr n PHE 340 N 0.05 2.01 -0.00 4.41 -0.00 -0.55 -1.23 117.46 122.15 3nrr n PHE 340 Ca 0.02 0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 3nrr n PHE 340 Cb 1.00 -2.49 0.00 0.00 -0.00 0.00 0.00 39.48 37.99 3nrr n PHE 340 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3nrr n GLY 341 N 3.55 0.34 3.78 7.13 0.00 -1.26 -0.06 105.19 118.67 3nrr n GLY 341 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3nrr n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nrr s ALA 342 N -2.12 2.80 -0.37 4.61 0.00 -0.37 -4.77 121.76 121.56 3nrr s ALA 342 Ca 0.00 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 3nrr s ALA 342 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3nrr s ALA 342 CO 0.00 -0.61 1.42 -2.00 0.00 0.00 0.00 175.76 174.56 3nrr s GLU 343 N -3.13 3.66 0.13 0.00 2.12 -1.26 -4.99 118.70 115.23 3nrr s GLU 343 Ca 0.69 1.09 -0.31 0.00 0.36 0.00 0.00 54.97 56.80 3nrr s GLU 343 Cb -0.23 -4.00 -0.08 0.00 0.26 0.00 0.00 34.13 30.09 3nrr s GLU 343 CO 0.27 -1.45 1.30 -0.47 -0.54 0.00 0.00 175.26 174.36 3nrr s TYR 344 N 5.22 3.32 0.00 5.30 5.04 -1.26 -4.93 117.35 130.04 3nrr s TYR 344 Ca 0.62 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 3nrr s TYR 344 Cb -0.16 -3.56 0.00 0.00 0.35 0.00 0.00 41.96 38.59 3nrr s TYR 344 CO 0.30 -1.82 0.00 1.28 -1.34 0.00 0.00 175.55 173.97 3nrr n LEU 345 N 3.43 0.00 -4.06 6.97 4.77 -1.26 -5.10 117.00 121.75 3nrr n LEU 345 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3nrr n LEU 345 Cb 0.44 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3nrr n LEU 345 CO 0.57 -0.10 0.17 1.51 -1.33 0.00 0.00 177.39 178.21 3nrr s ASP 346 N -0.97 0.70 0.08 -1.43 1.47 -1.26 -5.05 116.67 110.21 3nrr s ASP 346 Ca 0.00 -1.39 0.17 0.00 1.18 0.00 0.00 52.55 52.52 3nrr s ASP 346 Cb 0.00 0.67 0.73 0.00 -0.34 0.00 0.00 42.92 43.98 3nrr s ASP 346 CO 0.00 -1.30 1.54 1.15 0.68 0.00 0.00 175.17 177.24 3nrr n MET 347 N -0.53 0.06 0.00 2.11 0.00 -1.26 -2.24 117.12 115.25 3nrr n MET 347 Ca -0.00 0.30 0.13 0.00 0.00 0.00 0.00 57.70 58.13 3nrr n MET 347 Cb 0.62 -1.61 0.31 0.00 0.00 0.00 0.00 33.22 32.54 3nrr n MET 347 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3nrr n HIS 348 N -1.72 0.00 -2.29 3.17 8.25 -1.26 -4.80 115.22 116.56 3nrr n HIS 348 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 3nrr n HIS 348 Cb 0.19 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.30 3nrr n HIS 348 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nrr s ALA 349 N -2.05 3.26 -0.30 -1.41 0.00 -0.95 -5.05 121.76 115.25 3nrr s ALA 349 Ca 0.32 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 3nrr s ALA 349 Cb 0.20 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 3nrr s ALA 349 CO 0.34 -0.54 0.46 0.34 0.00 0.00 0.00 175.76 176.36 3nrr s ASP 350 N -4.16 6.32 -0.10 0.00 -1.08 -1.26 -4.93 116.67 111.46 3nrr s ASP 350 Ca 0.51 0.19 0.14 0.00 -0.52 0.00 0.00 52.55 52.87 3nrr s ASP 350 Cb -0.11 -2.25 0.44 0.00 -1.46 0.00 0.00 42.92 39.54 3nrr s ASP 350 CO 0.49 -0.34 1.36 -1.22 0.52 0.00 0.00 175.17 175.98 3nrr n TYR 351 N 5.55 0.76 -1.68 -5.34 4.01 -1.26 -4.99 117.16 114.21 3nrr n TYR 351 Ca -0.06 -0.70 -0.49 0.00 -0.16 0.00 0.00 57.90 56.49 3nrr n TYR 351 Cb 0.50 -0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 39.29 3nrr n TYR 351 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3nrr n THR 352 N 0.02 0.55 -1.00 -0.72 -1.04 -1.26 -1.32 114.28 109.51 3nrr n THR 352 Ca 0.17 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3nrr n THR 352 Cb 0.69 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 3nrr n THR 352 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3nrr n GLY 353 N 4.37 0.51 3.71 3.41 0.00 -1.26 -5.02 105.19 110.90 3nrr n GLY 353 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3nrr n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nrr s LYS 354 N -0.07 3.12 0.62 1.61 -0.14 -0.43 -5.02 119.74 119.43 3nrr s LYS 354 Ca 0.00 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 3nrr s LYS 354 Cb 0.00 -2.88 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 3nrr s LYS 354 CO 0.00 0.68 0.00 0.41 -0.76 0.00 0.00 175.35 175.68 3nrr n GLY 355 N 2.21 -1.93 3.65 -3.33 0.00 -1.26 -4.56 105.19 99.97 3nrr n GLY 355 Ca -0.19 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3nrr n GLY 355 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nrr s ILE 356 N -0.95 5.29 -1.06 -0.61 1.01 0.91 -4.77 121.20 121.03 3nrr s ILE 356 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 3nrr s ILE 356 Cb 0.00 -3.47 0.11 0.00 0.01 0.00 0.00 42.46 39.11 3nrr s ILE 356 CO 0.00 0.35 1.36 -0.62 0.00 0.00 0.00 174.94 176.03 3nrr s ASP 357 N 1.06 6.71 0.13 3.58 -1.08 -1.20 -1.48 116.67 124.38 3nrr s ASP 357 Ca 0.07 -2.14 -0.16 0.00 -0.52 0.00 0.00 52.55 49.80 3nrr s ASP 357 Cb -0.14 -2.47 -0.02 0.00 -1.46 0.00 0.00 42.92 38.84 3nrr s ASP 357 CO 0.04 -1.13 1.66 1.56 0.52 0.00 0.00 175.17 177.82 3nrr h GLN 358 N 8.57 0.58 -0.20 4.34 4.20 -1.52 -0.56 115.11 130.52 3nrr h GLN 358 Ca 0.24 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.87 3nrr h GLN 358 Cb 0.97 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.62 3nrr h GLN 358 CO 1.27 0.58 -0.04 1.25 -0.67 0.00 0.00 178.83 181.22 3nrr h LEU 359 N 0.47 -0.16 -0.57 1.46 5.85 -1.61 -0.14 115.31 120.61 3nrr h LEU 359 Ca 0.12 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3nrr h LEU 359 Cb 0.23 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3nrr h LEU 359 CO -0.01 -0.05 0.24 0.00 -0.34 0.00 0.00 178.44 178.28 3nrr h ALA 360 N 1.19 0.74 -0.54 1.25 0.00 -1.78 -1.48 119.26 118.64 3nrr h ALA 360 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3nrr h ALA 360 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3nrr h ALA 360 CO -0.19 0.34 0.16 0.93 0.00 0.00 0.00 179.25 180.49 3nrr h GLU 361 N 0.78 0.85 -0.18 0.00 5.08 -0.82 -1.86 114.58 118.43 3nrr h GLU 361 Ca 0.19 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3nrr h GLU 361 Cb 0.18 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3nrr h GLU 361 CO -0.02 0.78 -0.72 0.82 -1.00 0.00 0.00 179.01 178.87 3nrr h ILE 362 N 0.76 1.28 -0.76 3.13 1.08 -0.87 -0.70 117.51 121.43 3nrr h ILE 362 Ca 0.17 -1.92 -0.00 0.00 -0.39 0.00 0.00 64.86 62.71 3nrr h ILE 362 Cb 0.29 1.90 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 3nrr h ILE 362 CO -0.00 0.61 0.46 0.40 -0.69 0.00 0.00 178.15 178.93 3nrr h ILE 363 N 0.55 1.22 -0.69 -0.67 2.04 -1.26 0.57 117.51 119.26 3nrr h ILE 363 Ca -0.04 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 3nrr h ILE 363 Cb 1.34 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3nrr h ILE 363 CO 0.15 0.23 0.15 -1.13 0.00 0.00 0.00 178.15 177.54 3nrr h ASN 364 N 1.04 1.07 -0.18 1.72 -1.24 -1.07 -2.79 115.58 114.13 3nrr h ASN 364 Ca 0.27 -0.24 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 3nrr h ASN 364 Cb -0.03 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 3nrr h ASN 364 CO -0.05 1.04 -0.22 -0.09 -1.29 0.00 0.00 177.43 176.81 3nrr h ARG 365 N 1.06 0.64 -0.83 6.67 2.43 -0.64 -0.68 114.38 123.02 3nrr h ARG 365 Ca 0.22 -0.24 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3nrr h ARG 365 Cb 0.40 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 3nrr h ARG 365 CO 0.01 0.81 0.49 0.82 -1.51 0.00 0.00 179.97 180.59 3nrr h ILE 366 N 0.56 0.96 -0.36 1.20 2.04 -0.76 0.44 117.51 121.59 3nrr h ILE 366 Ca 0.08 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3nrr h ILE 366 Cb 0.69 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3nrr h ILE 366 CO 0.05 0.15 -0.03 0.11 0.00 0.00 0.00 178.15 178.44 3nrr h LYS 367 N 0.85 0.66 0.01 2.37 1.57 -1.11 -3.19 116.57 117.73 3nrr h LYS 367 Ca 0.39 -0.22 -0.33 0.00 -1.87 0.00 0.00 60.65 58.62 3nrr h LYS 367 Cb 0.29 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3nrr h LYS 367 CO -0.22 0.78 -1.96 0.25 -0.57 0.00 0.00 179.45 177.73 3nrr n THR 368 N -4.46 1.56 -3.05 -0.16 -2.24 -0.33 -4.70 114.28 100.92 3nrr n THR 368 Ca -0.02 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 60.80 3nrr n THR 368 Cb 0.30 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 3nrr n THR 368 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3nrr n ASN 369 N -3.02 -0.66 0.32 3.42 5.15 0.15 -5.00 115.26 115.62 3nrr n ASN 369 Ca -0.24 -2.98 0.20 0.00 -0.60 0.00 0.00 54.58 50.95 3nrr n ASN 369 Cb 1.08 0.18 1.09 0.00 -0.53 0.00 0.00 39.78 41.60 3nrr n ASN 369 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3nrr h PRO 370 N 3.73 0.00 -0.07 1.20 0.13 -1.52 -1.68 132.00 133.79 3nrr h PRO 370 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3nrr h PRO 370 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3nrr h PRO 370 CO 0.41 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.27 3nrr n ASN 371 N -3.32 1.04 -4.70 1.44 3.02 -1.26 -4.28 115.26 107.19 3nrr n ASN 371 Ca -0.03 -1.48 -0.39 0.00 -0.03 0.00 0.00 54.58 52.64 3nrr n ASN 371 Cb 0.09 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.26 3nrr n ASN 371 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3nrr n ASP 372 N -0.14 2.20 -1.11 6.41 2.03 -0.63 -4.94 116.55 120.37 3nrr n ASP 372 Ca 0.18 1.00 -0.00 0.00 0.52 0.00 0.00 54.79 56.49 3nrr n ASP 372 Cb 0.25 -1.50 0.22 0.00 -0.72 0.00 0.00 41.12 39.37 3nrr n ASP 372 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3nrr n ARG 373 N -0.53 2.29 -1.58 -0.67 1.74 -1.26 -4.50 116.66 112.14 3nrr n ARG 373 Ca 0.09 -3.03 -0.04 0.00 -0.77 0.00 0.00 57.85 54.10 3nrr n ARG 373 Cb 0.43 -1.85 0.09 0.00 -1.02 0.00 0.00 32.46 30.11 3nrr n ARG 373 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3nrr n ARG 374 N -0.89 1.83 -1.87 5.56 3.00 -1.26 -4.97 116.66 118.07 3nrr n ARG 374 Ca 0.30 -3.30 -0.42 0.00 -0.01 0.00 0.00 57.85 54.42 3nrr n ARG 374 Cb 1.01 -1.45 -0.00 0.00 0.00 0.00 0.00 32.46 32.02 3nrr n ARG 374 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3nrr n LEU 375 N -0.57 7.20 -4.29 0.55 4.77 -1.26 -4.90 117.00 118.50 3nrr n LEU 375 Ca 0.21 -4.39 -0.31 0.00 -0.03 0.00 0.00 56.01 51.49 3nrr n LEU 375 Cb 0.89 -1.56 -0.16 0.00 -2.33 0.00 0.00 43.42 40.25 3nrr n LEU 375 CO 0.10 1.42 -0.56 -0.63 -1.33 0.00 0.00 177.39 176.39 3nrr s ILE 376 N 1.83 2.09 -0.18 -0.08 1.01 -1.26 -0.42 121.20 124.20 3nrr s ILE 376 Ca 0.49 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 3nrr s ILE 376 Cb 0.14 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.87 3nrr s ILE 376 CO -0.06 0.57 -0.15 -0.69 0.00 0.00 0.00 174.94 174.61 3nrr s VAL 377 N -0.33 2.52 -0.14 2.92 1.01 -0.22 -4.94 120.40 121.23 3nrr s VAL 377 Ca 0.01 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3nrr s VAL 377 Cb -0.12 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3nrr s VAL 377 CO 0.02 0.51 -0.22 0.00 0.00 0.00 0.00 175.10 175.41 3nrr n SER 379 N 4.09 1.87 -3.64 0.00 7.64 0.66 -4.72 113.62 119.52 3nrr n SER 379 Ca -0.20 -1.43 -0.41 0.00 1.01 0.00 0.00 58.87 57.83 3nrr n SER 379 Cb 0.51 0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 64.13 3nrr n SER 379 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3nrr n TRP 380 N 0.04 3.21 -2.67 1.43 -0.00 -1.16 -4.79 117.44 113.50 3nrr n TRP 380 Ca 0.08 -2.99 -0.42 0.00 -0.00 0.00 0.00 57.50 54.18 3nrr n TRP 380 Cb 0.40 -2.47 -0.03 0.00 -0.00 0.00 0.00 31.31 29.20 3nrr n TRP 380 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3nrr s ASN 381 N 2.69 6.27 0.44 5.87 3.84 -1.26 -4.86 114.94 127.92 3nrr s ASN 381 Ca 0.52 -0.92 0.17 0.00 0.21 0.00 0.00 52.86 52.84 3nrr s ASN 381 Cb 0.15 -2.51 1.09 0.00 -0.55 0.00 0.00 41.25 39.43 3nrr s ASN 381 CO -0.08 -1.61 1.93 0.58 -2.79 0.00 0.00 177.10 175.14 3nrr h VAL 382 N 6.14 0.80 0.00 -5.21 2.07 -2.01 -0.27 116.25 117.78 3nrr h VAL 382 Ca -0.16 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3nrr h VAL 382 Cb 1.05 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3nrr h VAL 382 CO 1.27 0.07 -0.22 0.28 0.02 0.00 0.00 177.57 178.99 3nrr h SER 383 N 0.37 0.00 -0.01 0.57 0.02 -2.01 -3.15 113.55 109.34 3nrr h SER 383 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3nrr h SER 383 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3nrr h SER 383 CO -0.10 0.22 -0.50 0.47 -1.14 0.00 0.00 176.83 175.77 3nrr n ASP 384 N -3.54 1.44 -0.23 3.07 8.00 -0.13 -4.68 116.55 120.47 3nrr n ASP 384 Ca -0.01 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.28 3nrr n ASP 384 Cb 0.37 0.64 0.12 0.00 -0.02 0.00 0.00 41.12 42.23 3nrr n ASP 384 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3nrr h LEU 385 N 1.34 0.40 -2.69 0.64 3.38 -1.45 -0.76 115.31 116.18 3nrr h LEU 385 Ca 0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3nrr h LEU 385 Cb 0.54 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3nrr h LEU 385 CO 0.00 0.24 0.08 0.11 0.09 0.00 0.00 178.44 178.95 3nrr h LYS 386 N 0.55 0.00 -0.00 1.13 1.57 -1.83 -1.81 116.57 116.17 3nrr h LYS 386 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3nrr h LYS 386 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3nrr h LYS 386 CO -0.26 0.00 -0.66 1.63 -0.57 0.00 0.00 179.45 179.58 3nrr n LYS 387 N -3.22 0.15 -3.25 3.15 5.02 -0.30 -4.95 118.16 114.76 3nrr n LYS 387 Ca -0.02 -0.10 -0.37 0.00 -2.02 0.00 0.00 58.31 55.79 3nrr n LYS 387 Cb 0.15 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 3nrr n LYS 387 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3nrr s MET 388 N -2.93 4.17 0.44 1.97 -1.94 -0.68 -4.34 119.30 115.99 3nrr s MET 388 Ca 0.11 0.72 0.12 0.00 -1.71 0.00 0.00 55.69 54.93 3nrr s MET 388 Cb 0.17 -3.09 0.97 0.00 2.01 0.00 0.00 34.83 34.90 3nrr s MET 388 CO 0.74 0.55 2.02 0.00 -0.01 0.00 0.00 175.02 178.32 3nrr h ALA 389 N 4.05 1.72 -2.58 3.03 0.00 -1.61 -3.41 119.26 120.45 3nrr h ALA 389 Ca -0.49 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 3nrr h ALA 389 Cb 1.20 -0.07 -0.25 0.00 0.00 0.00 0.00 17.79 18.68 3nrr h ALA 389 CO 0.65 0.21 -0.23 -1.17 0.00 0.00 0.00 179.25 178.71 3nrr s LEU 390 N -8.97 -0.06 0.67 0.00 2.96 -1.26 -5.09 118.68 106.93 3nrr s LEU 390 Ca -0.06 0.96 -0.16 0.00 -0.22 0.00 0.00 54.13 54.66 3nrr s LEU 390 Cb 0.16 1.51 0.00 0.00 0.50 0.00 0.00 46.19 48.37 3nrr s LEU 390 CO 0.71 -0.19 1.15 -2.84 -1.32 0.00 0.00 176.35 173.86 3nrr s PRO 391 N 1.06 2.66 0.27 0.98 0.02 -1.26 -4.90 135.00 133.83 3nrr s PRO 391 Ca -0.07 1.56 -0.30 0.00 0.02 0.00 0.00 61.00 62.21 3nrr s PRO 391 Cb -0.06 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 3nrr s PRO 391 CO -0.09 -1.39 1.38 -1.25 -0.33 0.00 0.00 177.00 175.31 3nrr s PRO 392 N -3.91 4.31 -0.02 5.54 0.04 -1.26 -4.93 135.00 134.78 3nrr s PRO 392 Ca 0.70 2.24 -0.21 0.00 0.04 0.00 0.00 61.00 63.77 3nrr s PRO 392 Cb -0.24 -3.11 -0.24 0.00 0.04 0.00 0.00 34.50 30.95 3nrr s PRO 392 CO 0.41 -0.32 1.06 0.00 0.04 0.00 0.00 177.00 178.19 3nrr s HIS 394 N -3.13 3.32 0.13 0.00 0.00 -1.26 -0.68 115.29 113.66 3nrr s HIS 394 Ca -0.14 -1.49 -0.08 0.00 -3.00 0.00 0.00 55.06 50.35 3nrr s HIS 394 Cb 0.02 -4.04 -0.08 0.00 -4.00 0.00 0.00 32.58 24.48 3nrr s HIS 394 CO 0.80 -1.25 1.34 0.00 -1.00 0.00 0.00 174.74 174.63 3nrr s PHE 396 N -3.65 -0.68 0.03 0.00 2.19 -1.25 -0.24 117.98 114.38 3nrr s PHE 396 Ca -0.08 1.57 -0.10 0.00 0.33 0.00 0.00 56.93 58.64 3nrr s PHE 396 Cb 0.09 0.26 0.01 0.00 -1.31 0.00 0.00 43.02 42.07 3nrr s PHE 396 CO 0.88 -0.38 0.21 -0.59 1.83 0.00 0.00 175.22 177.17 3nrr s PHE 397 N 0.03 0.00 -0.03 10.12 -0.71 -0.39 -1.91 117.98 125.09 3nrr s PHE 397 Ca -0.02 -0.16 -0.01 0.00 -1.04 0.00 0.00 56.93 55.70 3nrr s PHE 397 Cb -0.04 -0.00 0.03 0.00 -1.21 0.00 0.00 43.02 41.80 3nrr s PHE 397 CO 0.02 -0.41 0.05 -1.14 -1.34 0.00 0.00 175.22 172.40 3nrr s GLN 398 N -2.25 -0.01 0.39 1.99 0.74 0.42 -1.05 119.66 119.88 3nrr s GLN 398 Ca -0.07 0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.55 3nrr s GLN 398 Cb -0.02 -0.22 -0.02 0.00 1.10 0.00 0.00 33.01 33.84 3nrr s GLN 398 CO -0.02 -0.16 0.59 -0.06 -0.55 0.00 0.00 175.29 175.09 3nrr s PHE 399 N 1.03 3.37 -0.17 1.67 0.08 0.44 -0.30 117.98 124.10 3nrr s PHE 399 Ca -0.08 0.27 -0.15 0.00 0.12 0.00 0.00 56.93 57.09 3nrr s PHE 399 Cb -0.12 -2.06 0.05 0.00 -0.57 0.00 0.00 43.02 40.32 3nrr s PHE 399 CO -0.03 -0.07 0.46 -0.47 -0.10 0.00 0.00 175.22 175.00 3nrr s TYR 400 N -2.40 -0.52 -0.14 0.36 5.04 -0.61 -4.56 117.35 114.52 3nrr s TYR 400 Ca 0.43 1.25 0.01 0.00 -2.44 0.00 0.00 57.07 56.33 3nrr s TYR 400 Cb -0.10 0.19 0.02 0.00 0.35 0.00 0.00 41.96 42.42 3nrr s TYR 400 CO 0.37 -0.26 -0.18 0.08 -1.34 0.00 0.00 175.55 174.22 3nrr s VAL 401 N 0.37 1.80 -0.01 3.14 1.01 -1.26 -0.37 120.40 125.08 3nrr s VAL 401 Ca -0.01 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 3nrr s VAL 401 Cb -0.04 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.73 3nrr s VAL 401 CO -0.01 0.50 0.28 -0.94 0.00 0.00 0.00 175.10 174.93 3nrr s SER 402 N 1.12 -0.15 -1.60 3.32 1.04 -0.56 -4.86 113.70 112.01 3nrr s SER 402 Ca -0.01 0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.30 3nrr s SER 402 Cb -0.14 0.30 0.12 0.00 0.10 0.00 0.00 66.02 66.39 3nrr s SER 402 CO -0.06 -0.43 0.91 0.47 0.98 0.00 0.00 173.24 175.10 3nrr n ASP 403 N 1.34 -4.19 -2.07 7.02 8.00 -1.26 -1.40 116.55 124.00 3nrr n ASP 403 Ca -0.22 -0.88 -0.19 0.00 0.71 0.00 0.00 54.79 54.22 3nrr n ASP 403 Cb 0.56 -3.42 -0.02 0.00 -0.02 0.00 0.00 41.12 38.21 3nrr n ASP 403 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3nrr n ASN 404 N -2.76 -5.50 -4.12 -2.24 5.15 -1.26 -4.95 115.26 99.58 3nrr n ASN 404 Ca 0.05 0.07 -0.23 0.00 -0.60 0.00 0.00 54.58 53.88 3nrr n ASN 404 Cb 0.51 -4.57 -0.15 0.00 -0.53 0.00 0.00 39.78 35.04 3nrr n ASN 404 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3nrr s LYS 405 N -4.73 1.19 -0.20 1.20 1.02 -0.49 -0.22 119.74 117.52 3nrr s LYS 405 Ca 0.00 -0.52 -0.13 0.00 0.02 0.00 0.00 55.97 55.33 3nrr s LYS 405 Cb 0.00 -1.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.11 3nrr s LYS 405 CO 0.00 0.31 0.29 -1.17 -0.92 0.00 0.00 175.35 173.86 3nrr s LEU 406 N -0.34 4.17 0.40 3.17 2.96 -0.14 -1.49 118.68 127.41 3nrr s LEU 406 Ca 0.05 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 3nrr s LEU 406 Cb -0.06 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 3nrr s LEU 406 CO -0.01 0.03 0.18 -0.44 -1.32 0.00 0.00 176.35 174.79 3nrr s SER 407 N 0.85 4.48 -0.13 3.68 0.01 0.50 -0.22 113.70 122.87 3nrr s SER 407 Ca 0.14 -1.01 -0.11 0.00 1.31 0.00 0.00 55.95 56.28 3nrr s SER 407 Cb -0.14 -0.52 0.04 0.00 0.21 0.00 0.00 66.02 65.61 3nrr s SER 407 CO 0.05 -0.50 0.35 0.00 0.41 0.00 0.00 173.24 173.55 3nrr s MET 409 N 0.34 2.45 -0.01 0.00 -2.45 0.59 -0.05 119.30 120.17 3nrr s MET 409 Ca -0.01 -0.91 0.03 0.00 -1.25 0.00 0.00 55.69 53.55 3nrr s MET 409 Cb -0.03 -2.14 -0.01 0.00 1.25 0.00 0.00 34.83 33.90 3nrr s MET 409 CO -0.01 0.42 -0.11 1.41 1.05 0.00 0.00 175.02 177.78 3nrr s MET 410 N -0.27 0.97 -0.33 4.11 1.75 -0.18 -0.44 119.30 124.92 3nrr s MET 410 Ca -0.00 -0.40 -0.13 0.00 -1.25 0.00 0.00 55.69 53.90 3nrr s MET 410 Cb -0.13 -0.93 -0.02 0.00 2.84 0.00 0.00 34.83 36.59 3nrr s MET 410 CO 0.03 0.23 0.27 -1.58 -0.65 0.00 0.00 175.02 173.31 3nrr s HIS 411 N -0.20 3.22 -0.34 4.11 2.46 -0.80 -0.77 115.29 122.97 3nrr s HIS 411 Ca 0.03 -0.07 -0.08 0.00 0.47 0.00 0.00 55.06 55.41 3nrr s HIS 411 Cb -0.05 -2.51 0.03 0.00 -0.13 0.00 0.00 32.58 29.92 3nrr s HIS 411 CO -0.00 -0.33 0.13 -1.14 -2.47 0.00 0.00 174.74 170.93 3nrr s GLN 412 N 1.81 2.82 0.42 2.88 0.74 0.09 -1.97 119.66 126.45 3nrr s GLN 412 Ca 0.08 -1.06 0.19 0.00 0.05 0.00 0.00 55.36 54.62 3nrr s GLN 412 Cb -0.17 -3.52 0.93 0.00 1.10 0.00 0.00 33.01 31.35 3nrr s GLN 412 CO 0.11 -0.62 1.88 0.07 -0.55 0.00 0.00 175.29 176.18 3nrr h ARG 413 N 8.29 0.00 -2.56 1.67 0.11 -1.20 -1.25 114.38 119.43 3nrr h ARG 413 Ca -0.26 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.71 3nrr h ARG 413 Cb 1.10 0.00 -0.28 0.00 1.11 0.00 0.00 29.97 31.91 3nrr h ARG 413 CO 0.62 0.29 -0.36 0.45 0.10 0.00 0.00 179.97 181.07 3nrr s SER 414 N -6.57 -0.27 -0.33 0.08 0.15 -1.25 -2.28 113.70 103.22 3nrr s SER 414 Ca -0.02 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.58 3nrr s SER 414 Cb 0.13 1.19 0.11 0.00 -1.71 0.00 0.00 66.02 65.73 3nrr s SER 414 CO 0.67 -0.22 0.12 0.00 1.20 0.00 0.00 173.24 175.00 3nrr s ASP 416 N 1.36 5.79 0.40 0.00 -1.08 -1.26 -0.88 116.67 121.00 3nrr s ASP 416 Ca 0.11 -0.24 0.10 0.00 -0.52 0.00 0.00 52.55 52.00 3nrr s ASP 416 Cb -0.19 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.55 3nrr s ASP 416 CO -0.20 -2.07 1.95 -0.07 0.52 0.00 0.00 175.17 175.30 3nrr h LEU 417 N 14.56 0.23 -0.21 -1.34 3.38 -1.49 -1.14 115.31 129.30 3nrr h LEU 417 Ca -0.22 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.50 3nrr h LEU 417 Cb 1.09 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.78 3nrr h LEU 417 CO 1.26 0.35 -0.79 1.23 0.09 0.00 0.00 178.44 180.58 3nrr h GLY 418 N 0.66 0.75 0.00 0.83 0.00 -1.90 -3.41 103.07 100.00 3nrr h GLY 418 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 47.33 46.30 3nrr h GLY 418 CO 0.01 0.96 -0.19 -0.10 0.00 0.00 0.00 176.54 177.22 3nrr n LEU 419 N -3.90 0.66 -0.09 3.11 7.94 -1.12 -4.83 117.00 118.76 3nrr n LEU 419 Ca -0.07 0.10 -0.14 0.00 -1.11 0.00 0.00 56.01 54.79 3nrr n LEU 419 Cb 0.75 -0.35 -0.04 0.00 0.53 0.00 0.00 43.42 44.31 3nrr n LEU 419 CO 0.52 -0.52 0.54 1.23 -1.11 0.00 0.00 177.39 178.04 3nrr h GLY 420 N -0.19 0.82 1.00 -3.96 0.00 -1.70 -3.36 103.07 95.68 3nrr h GLY 420 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 3nrr h GLY 420 CO 0.00 0.78 0.34 -2.08 0.00 0.00 0.00 176.54 175.58 3nrr h VAL 421 N 0.51 1.21 -0.60 4.60 2.07 -1.45 -0.97 116.25 121.61 3nrr h VAL 421 Ca 0.04 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.10 3nrr h VAL 421 Cb 0.93 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3nrr h VAL 421 CO 0.08 0.24 0.40 -0.65 0.02 0.00 0.00 177.57 177.66 3nrr h PRO 422 N 0.89 0.38 -0.22 1.57 0.11 -1.79 -0.73 132.00 132.22 3nrr h PRO 422 Ca 0.23 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 3nrr h PRO 422 Cb 0.07 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3nrr h PRO 422 CO -0.03 0.25 -0.22 0.74 -0.21 0.00 0.00 178.00 178.53 3nrr h PHE 423 N 0.40 0.66 -0.77 0.65 -1.00 -1.39 -3.15 116.94 112.34 3nrr h PHE 423 Ca 0.28 -0.20 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 3nrr h PHE 423 Cb 0.56 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 3nrr h PHE 423 CO -0.00 0.89 0.28 -0.91 -1.61 0.00 0.00 178.31 176.95 3nrr h ASN 424 N 0.24 1.08 0.08 2.17 -0.26 -0.18 0.18 115.58 118.88 3nrr h ASN 424 Ca 0.04 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.59 3nrr h ASN 424 Cb 0.77 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 3nrr h ASN 424 CO 0.06 0.97 -0.04 0.40 -1.06 0.00 0.00 177.43 177.76 3nrr h ILE 425 N 1.13 1.03 -0.75 2.81 2.04 -1.25 -2.31 117.51 120.20 3nrr h ILE 425 Ca 0.25 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3nrr h ILE 425 Cb 0.25 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3nrr h ILE 425 CO -0.02 0.09 0.29 0.00 0.00 0.00 0.00 178.15 178.51 3nrr h ALA 426 N 0.63 0.98 0.22 1.87 0.00 -1.45 -2.56 119.26 118.94 3nrr h ALA 426 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3nrr h ALA 426 Cb 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3nrr h ALA 426 CO 0.02 0.62 -0.12 1.03 0.00 0.00 0.00 179.25 180.80 3nrr h SER 427 N 1.10 -0.30 0.64 0.00 0.87 -0.48 -1.09 113.55 114.29 3nrr h SER 427 Ca 0.25 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.76 3nrr h SER 427 Cb 0.24 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3nrr h SER 427 CO -0.02 -0.20 -0.31 1.88 -0.53 0.00 0.00 176.83 177.65 3nrr h TYR 428 N -0.32 0.00 -0.41 2.24 -1.99 -1.47 -0.69 116.97 114.33 3nrr h TYR 428 Ca -0.02 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 3nrr h TYR 428 Cb 0.26 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 3nrr h TYR 428 CO -0.08 0.31 0.14 0.77 -0.00 0.00 0.00 178.16 179.31 3nrr h SER 429 N 0.00 0.58 -0.09 3.88 0.02 -1.10 -0.71 113.55 116.14 3nrr h SER 429 Ca -0.00 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3nrr h SER 429 Cb 0.72 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3nrr h SER 429 CO 0.04 0.62 0.04 0.40 -1.14 0.00 0.00 176.83 176.79 3nrr h ILE 430 N 0.52 1.14 -0.60 3.27 2.04 -0.85 -1.93 117.51 121.09 3nrr h ILE 430 Ca 0.13 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.67 3nrr h ILE 430 Cb 0.23 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 3nrr h ILE 430 CO -0.01 0.12 0.23 0.25 0.00 0.00 0.00 178.15 178.74 3nrr h LEU 431 N -0.01 0.24 -0.56 1.44 5.85 -1.03 0.10 115.31 121.34 3nrr h LEU 431 Ca 0.03 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3nrr h LEU 431 Cb 0.16 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3nrr h LEU 431 CO -0.00 0.15 0.25 0.74 -0.34 0.00 0.00 178.44 179.23 3nrr h THR 432 N 0.42 1.21 -0.69 1.05 2.02 -1.09 -0.32 112.91 115.51 3nrr h THR 432 Ca 0.30 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3nrr h THR 432 Cb 0.35 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3nrr h THR 432 CO -0.29 0.25 0.45 0.00 0.37 0.00 0.00 175.52 176.30 3nrr h ALA 433 N 1.09 0.88 -0.34 6.16 0.00 -0.60 -0.19 119.26 126.26 3nrr h ALA 433 Ca 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3nrr h ALA 433 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3nrr h ALA 433 CO -0.02 0.32 0.20 0.52 0.00 0.00 0.00 179.25 180.27 3nrr h MET 434 N 0.94 0.46 -0.63 0.00 2.07 -0.26 -0.94 114.93 116.57 3nrr h MET 434 Ca 0.25 -0.04 -0.09 0.00 -2.07 0.00 0.00 59.70 57.75 3nrr h MET 434 Cb -0.09 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.52 3nrr h MET 434 CO -0.05 0.36 0.03 0.28 1.07 0.00 0.00 176.91 178.60 3nrr h VAL 435 N 0.44 1.27 -0.38 -2.22 2.07 -0.92 -1.79 116.25 114.71 3nrr h VAL 435 Ca 0.12 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3nrr h VAL 435 Cb 0.01 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3nrr h VAL 435 CO -0.02 0.41 0.23 0.00 0.02 0.00 0.00 177.57 178.21 3nrr h ALA 436 N 1.01 0.49 0.07 1.67 0.00 -0.86 -0.90 119.26 120.74 3nrr h ALA 436 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3nrr h ALA 436 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3nrr h ALA 436 CO 0.03 -0.01 -0.07 0.37 0.00 0.00 0.00 179.25 179.56 3nrr h GLN 437 N 0.50 -0.16 0.00 0.00 4.15 -0.94 0.15 115.11 118.82 3nrr h GLN 437 Ca 0.14 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3nrr h GLN 437 Cb 0.01 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3nrr h GLN 437 CO -0.02 -0.10 0.00 -0.39 -1.93 0.00 0.00 178.83 176.38 3nrr h VAL 438 N -0.16 0.00 -0.14 2.39 -1.51 -1.08 -2.03 116.25 113.72 3nrr h VAL 438 Ca 0.01 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3nrr h VAL 438 Cb 0.16 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 3nrr h VAL 438 CO -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.31 3nrr n GLY 440 N 1.30 0.32 3.75 0.00 0.00 -0.43 -4.91 105.19 105.22 3nrr n GLY 440 Ca 0.17 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3nrr n GLY 440 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nrr s LEU 441 N -2.47 3.56 0.00 0.99 1.43 0.41 -5.02 118.68 117.57 3nrr s LEU 441 Ca 0.00 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 3nrr s LEU 441 Cb 0.00 -2.10 0.21 0.00 0.03 0.00 0.00 46.19 44.33 3nrr s LEU 441 CO 0.00 -0.01 1.03 0.61 0.23 0.00 0.00 176.35 178.22 3nrr n GLY 442 N -0.93 -1.89 3.55 -3.19 0.00 0.70 -4.29 105.19 99.13 3nrr n GLY 442 Ca -0.08 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 3nrr n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nrr s LEU 443 N 0.00 3.56 0.00 0.99 1.43 -1.26 -0.97 118.68 122.44 3nrr s LEU 443 Ca 0.61 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 3nrr s LEU 443 Cb -0.03 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3nrr s LEU 443 CO 0.44 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.75 3nrr n GLY 444 N 3.88 0.46 3.33 -3.19 0.00 0.70 -4.00 105.19 106.37 3nrr n GLY 444 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3nrr n GLY 444 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nrr s GLU 445 N 3.11 1.32 -0.23 1.61 2.02 -1.25 -0.78 118.70 124.49 3nrr s GLU 445 Ca 0.00 -1.20 -0.08 0.00 0.02 0.00 0.00 54.97 53.71 3nrr s GLU 445 Cb 0.00 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.55 3nrr s GLU 445 CO 0.00 0.39 0.08 0.12 0.02 0.00 0.00 175.26 175.88 3nrr s PHE 446 N -1.05 3.17 -0.20 1.61 5.36 -0.21 -1.49 117.98 125.17 3nrr s PHE 446 Ca 0.10 -0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 55.90 3nrr s PHE 446 Cb -0.10 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.39 3nrr s PHE 446 CO 0.04 -0.13 -0.10 0.08 -1.46 0.00 0.00 175.22 173.66 3nrr s VAL 447 N 1.15 2.91 -0.31 3.12 1.01 0.93 -0.71 120.40 128.51 3nrr s VAL 447 Ca 0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3nrr s VAL 447 Cb -0.14 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 33.99 3nrr s VAL 447 CO 0.04 0.47 0.03 -2.28 0.00 0.00 0.00 175.10 173.36 3nrr s HIS 448 N 1.36 3.24 -0.22 5.22 2.46 0.13 -1.01 115.29 126.46 3nrr s HIS 448 Ca 0.05 -1.66 -0.13 0.00 0.47 0.00 0.00 55.06 53.79 3nrr s HIS 448 Cb -0.14 -2.16 -0.04 0.00 -0.13 0.00 0.00 32.58 30.10 3nrr s HIS 448 CO -0.06 -0.76 0.28 -0.80 -2.47 0.00 0.00 174.74 170.92 3nrr s ASN 449 N 1.32 6.28 -0.21 9.88 0.01 0.05 -0.95 114.94 131.31 3nrr s ASN 449 Ca -0.03 0.31 -0.08 0.00 -0.71 0.00 0.00 52.86 52.35 3nrr s ASN 449 Cb -0.19 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 3nrr s ASN 449 CO 0.00 -0.00 0.09 -0.76 -1.51 0.00 0.00 177.10 174.92 3nrr s LEU 450 N 1.16 3.79 0.00 0.60 1.43 -0.51 -0.73 118.68 124.42 3nrr s LEU 450 Ca 0.13 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3nrr s LEU 450 Cb -0.14 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.09 3nrr s LEU 450 CO 0.06 0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.74 3nrr n ALA 451 N 4.06 0.00 -2.50 4.21 0.00 -0.47 -0.99 120.51 124.81 3nrr n ALA 451 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3nrr n ALA 451 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3nrr n ALA 451 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3nrr s ASP 452 N -1.00 6.10 -0.20 0.00 -1.08 -0.97 -1.55 116.67 117.97 3nrr s ASP 452 Ca 0.00 -0.45 -0.09 0.00 -0.52 0.00 0.00 52.55 51.49 3nrr s ASP 452 Cb 0.00 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 3nrr s ASP 452 CO 0.00 -1.87 0.11 0.00 0.52 0.00 0.00 175.17 173.92 3nrr s ALA 453 N 6.02 3.58 0.07 3.66 0.00 -0.50 -0.95 121.76 133.63 3nrr s ALA 453 Ca 0.39 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 3nrr s ALA 453 Cb -0.08 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.96 3nrr s ALA 453 CO 0.14 0.13 0.26 -3.38 0.00 0.00 0.00 175.76 172.91 3nrr s HIS 454 N 0.44 -0.00 -0.16 0.00 -3.43 -0.06 -1.56 115.29 110.51 3nrr s HIS 454 Ca 0.06 -0.29 -0.00 0.00 -0.80 0.00 0.00 55.06 54.03 3nrr s HIS 454 Cb -0.12 0.04 0.04 0.00 -1.43 0.00 0.00 32.58 31.12 3nrr s HIS 454 CO -0.01 -0.54 -0.06 0.42 -2.00 0.00 0.00 174.74 172.55 3nrr s ILE 455 N -3.24 1.14 0.57 -5.38 1.01 0.04 -1.07 121.20 114.27 3nrr s ILE 455 Ca -0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 3nrr s ILE 455 Cb 0.02 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3nrr s ILE 455 CO -0.08 0.17 1.25 -0.31 0.00 0.00 0.00 174.94 175.97 3nrr s TYR 456 N 1.63 2.40 0.49 3.97 2.02 -1.26 -0.96 117.35 125.62 3nrr s TYR 456 Ca 0.01 1.48 0.19 0.00 -0.37 0.00 0.00 57.07 58.38 3nrr s TYR 456 Cb -0.15 -3.57 1.26 0.00 -0.40 0.00 0.00 41.96 39.11 3nrr s TYR 456 CO -0.08 -2.36 2.09 -0.39 -1.57 0.00 0.00 175.55 173.24 3nrr h VAL 457 N 1.12 0.92 -0.00 0.71 -1.51 -1.52 -1.26 116.25 114.72 3nrr h VAL 457 Ca -0.50 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 3nrr h VAL 457 Cb 1.30 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3nrr h VAL 457 CO 0.56 0.09 -0.00 -0.90 -1.23 0.00 0.00 177.57 176.10 3nrr n ASP 458 N -4.21 0.09 -0.67 4.19 5.75 -1.26 -2.92 116.55 117.52 3nrr n ASP 458 Ca -0.03 -1.02 0.09 0.00 -0.01 0.00 0.00 54.79 53.82 3nrr n ASP 458 Cb 0.18 -0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.33 3nrr n ASP 458 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3nrr n HIS 459 N -0.93 0.00 -0.18 2.11 8.25 -0.48 -4.67 115.22 119.31 3nrr n HIS 459 Ca 0.24 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.64 3nrr n HIS 459 Cb 0.13 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.28 3nrr n HIS 459 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3nrr h VAL 460 N 3.28 1.07 -0.12 1.59 2.07 -1.60 -0.53 116.25 122.00 3nrr h VAL 460 Ca 0.00 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3nrr h VAL 460 Cb 0.73 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3nrr h VAL 460 CO 0.00 0.12 0.06 0.44 0.02 0.00 0.00 177.57 178.21 3nrr h ASP 461 N 0.66 0.10 -0.34 0.57 3.32 -1.84 0.00 116.42 118.89 3nrr h ASP 461 Ca 0.22 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.30 3nrr h ASP 461 Cb 0.01 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3nrr h ASP 461 CO -0.09 0.08 0.15 0.00 -1.72 0.00 0.00 179.24 177.65 3nrr h ALA 462 N 1.06 0.40 -0.73 3.45 0.00 -1.79 -1.95 119.26 119.70 3nrr h ALA 462 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3nrr h ALA 462 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3nrr h ALA 462 CO -0.03 -0.24 0.23 0.28 0.00 0.00 0.00 179.25 179.49 3nrr h VAL 463 N 0.31 1.26 -0.52 0.00 2.07 -0.90 -1.08 116.25 117.39 3nrr h VAL 463 Ca 0.15 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.79 3nrr h VAL 463 Cb 0.09 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3nrr h VAL 463 CO -0.12 0.36 0.30 0.74 0.02 0.00 0.00 177.57 178.86 3nrr h THR 464 N 1.08 1.02 -0.20 2.57 2.02 -0.76 -0.64 112.91 118.01 3nrr h THR 464 Ca 0.24 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3nrr h THR 464 Cb 0.31 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3nrr h THR 464 CO -0.01 0.11 0.10 0.74 0.37 0.00 0.00 175.52 176.83 3nrr h THR 465 N 0.58 1.13 -0.52 3.16 2.02 -1.12 -3.25 112.91 114.91 3nrr h THR 465 Ca 0.22 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3nrr h THR 465 Cb 0.06 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3nrr h THR 465 CO -0.12 0.12 0.30 -0.61 0.37 0.00 0.00 175.52 175.59 3nrr h GLN 466 N 0.20 0.72 0.00 6.66 4.15 -0.71 -2.91 115.11 123.23 3nrr h GLN 466 Ca 0.07 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3nrr h GLN 466 Cb 0.11 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3nrr h GLN 466 CO -0.01 0.55 0.00 0.44 -1.93 0.00 0.00 178.83 177.88 3nrr n ILE 467 N -4.65 0.78 0.66 2.39 -5.35 -0.29 -1.83 119.36 111.07 3nrr n ILE 467 Ca 0.03 0.14 0.13 0.00 -0.27 0.00 0.00 62.75 62.78 3nrr n ILE 467 Cb 0.07 -1.00 0.36 0.00 -1.74 0.00 0.00 39.64 37.32 3nrr n ILE 467 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3nrr n ALA 468 N -1.70 2.50 -2.21 -1.28 0.00 -1.10 -0.59 120.51 116.13 3nrr n ALA 468 Ca 0.03 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3nrr n ALA 468 Cb 0.25 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 3nrr n ALA 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nrr s ARG 469 N -3.11 4.67 -0.15 0.00 0.52 -0.76 -4.71 118.95 115.42 3nrr s ARG 469 Ca 0.10 1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 56.54 3nrr s ARG 469 Cb 0.13 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 3nrr s ARG 469 CO 0.63 0.18 0.98 0.42 0.02 0.00 0.00 175.30 177.53 3nrr s ILE 470 N -0.07 4.77 0.50 1.52 -1.09 -1.26 -4.85 121.20 120.72 3nrr s ILE 470 Ca 0.48 1.96 -0.23 0.00 -2.23 0.00 0.00 60.65 60.62 3nrr s ILE 470 Cb -0.25 -4.28 -0.07 0.00 -1.58 0.00 0.00 42.46 36.29 3nrr s ILE 470 CO 0.31 -0.05 1.38 -2.65 -1.23 0.00 0.00 174.94 172.70 3nrr n PRO 471 N 5.43 1.92 -2.48 2.79 -0.02 -1.26 -4.90 135.00 136.48 3nrr n PRO 471 Ca 0.09 0.69 -0.25 0.00 -2.02 0.00 0.00 63.50 62.01 3nrr n PRO 471 Cb 0.48 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3nrr n PRO 471 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3nrr s HIS 472 N -1.25 3.17 0.42 6.00 3.76 -1.26 -5.04 115.29 121.09 3nrr s HIS 472 Ca 0.67 0.49 -0.25 0.00 -0.15 0.00 0.00 55.06 55.82 3nrr s HIS 472 Cb -0.44 -2.74 -0.10 0.00 1.11 0.00 0.00 32.58 30.42 3nrr s HIS 472 CO 0.53 -0.84 1.29 -2.30 -0.85 0.00 0.00 174.74 172.57 3nrr n PRO 473 N -2.53 1.96 -0.91 8.40 -0.02 -1.26 -4.85 135.00 135.78 3nrr n PRO 473 Ca 0.05 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 3nrr n PRO 473 Cb 0.58 -2.41 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 3nrr n PRO 473 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3nrr s PHE 474 N -1.20 1.92 0.81 6.00 0.08 -1.26 -4.65 117.98 119.68 3nrr s PHE 474 Ca 0.61 1.72 -0.14 0.00 0.12 0.00 0.00 56.93 59.24 3nrr s PHE 474 Cb -0.50 -3.27 0.19 0.00 -0.57 0.00 0.00 43.02 38.86 3nrr s PHE 474 CO 0.58 -2.52 1.05 -0.35 -0.10 0.00 0.00 175.22 173.89 3nrr n PRO 475 N -3.91 -1.25 -4.52 0.24 -0.04 -1.24 -4.70 135.00 119.57 3nrr n PRO 475 Ca 0.11 -1.63 -0.27 0.00 -0.04 0.00 0.00 63.50 61.67 3nrr n PRO 475 Cb 0.52 -1.13 -0.13 0.00 -0.04 0.00 0.00 33.50 32.72 3nrr n PRO 475 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3nrr s ARG 476 N -5.31 1.39 -0.17 0.54 3.52 -0.67 -0.58 118.95 117.68 3nrr s ARG 476 Ca 0.60 -1.14 -0.08 0.00 -0.13 0.00 0.00 55.73 54.99 3nrr s ARG 476 Cb -0.02 -1.66 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 3nrr s ARG 476 CO 0.43 0.41 0.11 -1.17 -0.81 0.00 0.00 175.30 174.26 3nrr s LEU 477 N -1.62 4.13 -0.13 -0.88 2.96 -1.26 -1.03 118.68 120.85 3nrr s LEU 477 Ca 0.10 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 3nrr s LEU 477 Cb -0.10 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.58 3nrr s LEU 477 CO 0.04 0.26 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.61 3nrr s ARG 478 N -0.12 1.92 0.07 1.98 3.52 0.37 -4.99 118.95 121.70 3nrr s ARG 478 Ca 0.09 -0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.27 3nrr s ARG 478 Cb -0.12 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.39 3nrr s ARG 478 CO 0.00 -0.23 0.23 -0.51 -0.81 0.00 0.00 175.30 173.98 3nrr s LEU 479 N 1.54 4.35 0.00 -0.88 1.43 -1.26 -1.39 118.68 122.47 3nrr s LEU 479 Ca 0.04 0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 3nrr s LEU 479 Cb -0.13 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 43.03 3nrr s LEU 479 CO -0.09 0.16 1.95 0.21 0.23 0.00 0.00 176.35 178.82 3nrr s ASN 480 N -2.47 6.39 0.41 2.29 2.47 -0.01 -4.87 114.94 119.15 3nrr s ASN 480 Ca 0.35 2.55 0.29 0.00 0.42 0.00 0.00 52.86 56.48 3nrr s ASN 480 Cb -0.13 -2.53 1.31 0.00 -1.45 0.00 0.00 41.25 38.45 3nrr s ASN 480 CO 0.27 -1.12 1.87 1.55 -3.72 0.00 0.00 177.10 175.96 3nrr h PRO 481 N 10.85 0.00 0.00 0.43 0.13 -1.96 -2.91 132.00 138.54 3nrr h PRO 481 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3nrr h PRO 481 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3nrr h PRO 481 CO 0.94 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.46 3nrr n ASP 482 N -2.62 0.00 -4.66 1.44 8.00 -1.26 -4.80 116.55 112.65 3nrr n ASP 482 Ca 0.01 0.34 -0.42 0.00 0.71 0.00 0.00 54.79 55.42 3nrr n ASP 482 Cb 0.21 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 3nrr n ASP 482 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nrr s ILE 483 N -2.88 4.79 -0.04 0.53 -1.09 -1.10 -4.91 121.20 116.49 3nrr s ILE 483 Ca 0.16 1.77 0.14 0.00 -2.23 0.00 0.00 60.65 60.49 3nrr s ILE 483 Cb 0.17 -4.20 -0.22 0.00 -1.58 0.00 0.00 42.46 36.63 3nrr s ILE 483 CO 0.45 -0.09 0.27 0.54 -1.23 0.00 0.00 174.94 174.88 3nrr n ARG 484 N 5.92 0.72 -4.70 2.79 1.74 -1.26 -4.67 116.66 117.20 3nrr n ARG 484 Ca 0.08 -0.11 -0.24 0.00 -0.77 0.00 0.00 57.85 56.81 3nrr n ARG 484 Cb 0.47 -1.35 -0.16 0.00 -1.02 0.00 0.00 32.46 30.40 3nrr n ARG 484 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3nrr s ASN 485 N -3.93 1.88 0.52 0.55 0.01 -1.26 -4.73 114.94 107.98 3nrr s ASN 485 Ca -0.06 -0.30 0.17 0.00 -0.71 0.00 0.00 52.86 51.96 3nrr s ASN 485 Cb 0.08 -0.51 1.28 0.00 0.41 0.00 0.00 41.25 42.51 3nrr s ASN 485 CO 0.61 0.13 2.13 -0.29 -1.51 0.00 0.00 177.10 178.17 3nrr h ILE 486 N 5.29 0.97 0.00 0.60 2.10 -1.94 -1.59 117.51 122.94 3nrr h ILE 486 Ca -0.33 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.61 3nrr h ILE 486 Cb 1.17 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 3nrr h ILE 486 CO 0.48 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.93 3nrr n GLU 487 N -4.52 0.04 0.01 2.19 1.02 -1.26 -3.06 120.64 115.05 3nrr n GLU 487 Ca -0.01 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 3nrr n GLU 487 Cb 0.15 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.26 3nrr n GLU 487 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3nrr n ASP 488 N -1.47 0.57 -4.72 1.62 8.00 -0.60 -4.89 116.55 115.05 3nrr n ASP 488 Ca 0.06 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 54.86 3nrr n ASP 488 Cb 0.24 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 3nrr n ASP 488 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3nrr s PHE 489 N -3.03 2.97 0.39 1.24 0.08 -1.17 -5.02 117.98 113.44 3nrr s PHE 489 Ca 0.10 0.59 0.08 0.00 0.12 0.00 0.00 56.93 57.82 3nrr s PHE 489 Cb 0.17 -4.00 -0.07 0.00 -0.57 0.00 0.00 43.02 38.54 3nrr s PHE 489 CO 0.72 -3.66 -0.02 0.95 -0.10 0.00 0.00 175.22 173.12 3nrr s THR 490 N 0.91 2.09 0.37 0.64 -4.23 -1.26 -5.03 115.64 109.14 3nrr s THR 490 Ca 0.70 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 3nrr s THR 490 Cb -0.46 -2.89 0.23 0.00 1.34 0.00 0.00 72.50 70.72 3nrr s THR 490 CO 0.34 -0.06 2.00 -0.29 -0.54 0.00 0.00 174.62 176.07 3nrr h ILE 491 N 1.83 1.15 0.00 2.99 2.10 -1.95 0.25 117.51 123.88 3nrr h ILE 491 Ca -0.43 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.12 3nrr h ILE 491 Cb 1.24 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 3nrr h ILE 491 CO 0.77 0.16 0.00 0.47 -1.08 0.00 0.00 178.15 178.48 3nrr n ASP 492 N -4.41 0.40 -0.44 2.19 8.00 -1.26 -2.29 116.55 118.74 3nrr n ASP 492 Ca 0.03 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.33 3nrr n ASP 492 Cb 0.11 -0.73 0.24 0.00 -0.02 0.00 0.00 41.12 40.72 3nrr n ASP 492 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3nrr n ASP 493 N -2.02 1.65 -4.01 -2.24 8.00 0.07 -4.75 116.55 113.25 3nrr n ASP 493 Ca -0.00 -1.31 -0.31 0.00 0.71 0.00 0.00 54.79 53.87 3nrr n ASP 493 Cb 0.06 0.21 -0.15 0.00 -0.02 0.00 0.00 41.12 41.22 3nrr n ASP 493 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nrr s ILE 494 N -2.36 2.21 -0.13 0.53 1.01 -0.97 -0.83 121.20 120.66 3nrr s ILE 494 Ca 0.25 -2.27 0.02 0.00 0.00 0.00 0.00 60.65 58.66 3nrr s ILE 494 Cb 0.19 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3nrr s ILE 494 CO 0.48 -0.57 -0.21 -0.69 0.00 0.00 0.00 174.94 173.96 3nrr s VAL 495 N 0.95 2.29 -0.24 2.92 1.01 -0.49 -5.00 120.40 121.84 3nrr s VAL 495 Ca 0.10 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3nrr s VAL 495 Cb -0.19 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3nrr s VAL 495 CO -0.09 0.54 0.12 -0.69 0.00 0.00 0.00 175.10 174.99 3nrr s VAL 496 N 0.57 4.94 0.08 2.92 1.01 -1.26 -0.48 120.40 128.17 3nrr s VAL 496 Ca -0.12 0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3nrr s VAL 496 Cb -0.17 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3nrr s VAL 496 CO 0.04 0.35 -0.02 -1.61 0.00 0.00 0.00 175.10 173.86 3nrr s GLU 497 N 1.19 2.52 -1.03 2.72 0.41 -0.20 -4.72 118.70 119.59 3nrr s GLU 497 Ca 0.06 -0.83 -0.05 0.00 -0.41 0.00 0.00 54.97 53.74 3nrr s GLU 497 Cb -0.14 -2.52 0.01 0.00 -1.78 0.00 0.00 34.13 29.69 3nrr s GLU 497 CO 0.05 0.55 0.68 -0.25 -0.49 0.00 0.00 175.26 175.80 3nrr n ASP 498 N 0.74 -5.03 -4.57 -0.19 8.00 -1.26 -1.67 116.55 112.57 3nrr n ASP 498 Ca -0.12 -0.31 -0.43 0.00 0.71 0.00 0.00 54.79 54.64 3nrr n ASP 498 Cb 0.52 -3.73 -0.04 0.00 -0.02 0.00 0.00 41.12 37.85 3nrr n ASP 498 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3nrr s TYR 499 N -3.13 2.94 -0.18 1.24 5.04 -1.26 -4.28 117.35 117.72 3nrr s TYR 499 Ca 0.34 0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 55.34 3nrr s TYR 499 Cb -0.15 -3.90 -0.01 0.00 0.35 0.00 0.00 41.96 38.25 3nrr s TYR 499 CO 0.42 -1.06 -0.08 0.08 -1.34 0.00 0.00 175.55 173.57 3nrr s VAL 500 N 3.67 3.28 0.06 3.14 1.01 -1.26 -5.07 120.40 125.23 3nrr s VAL 500 Ca 0.36 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3nrr s VAL 500 Cb -0.10 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3nrr s VAL 500 CO 0.25 0.47 0.03 -0.94 0.00 0.00 0.00 175.10 174.91 3nrr s SER 501 N 0.97 0.39 1.09 3.32 1.04 -1.26 -4.70 113.70 114.54 3nrr s SER 501 Ca -0.01 -0.91 -0.14 0.00 0.48 0.00 0.00 55.95 55.37 3nrr s SER 501 Cb -0.15 0.24 0.23 0.00 0.10 0.00 0.00 66.02 66.45 3nrr s SER 501 CO -0.00 -0.64 1.08 -1.00 0.98 0.00 0.00 173.24 173.66 3nrr s HIS 502 N -3.91 1.55 0.80 5.02 3.76 0.05 -4.90 115.29 117.67 3nrr s HIS 502 Ca 0.07 0.87 -0.12 0.00 -0.15 0.00 0.00 55.06 55.73 3nrr s HIS 502 Cb 0.07 -3.28 0.08 0.00 1.11 0.00 0.00 32.58 30.56 3nrr s HIS 502 CO -0.10 -3.35 1.14 -2.14 -0.85 0.00 0.00 174.74 169.44 3nrr s PRO 503 N -5.00 1.88 0.60 8.40 0.02 -1.26 -2.29 135.00 137.34 3nrr s PRO 503 Ca 0.67 1.47 -0.18 0.00 0.02 0.00 0.00 61.00 62.97 3nrr s PRO 503 Cb -0.17 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3nrr s PRO 503 CO 0.58 -1.97 1.20 -1.25 -0.33 0.00 0.00 177.00 175.22 3nrr s PRO 504 N -4.48 2.94 -0.21 5.54 0.04 -1.26 -2.94 135.00 134.64 3nrr s PRO 504 Ca 0.67 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3nrr s PRO 504 Cb -0.22 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.41 3nrr s PRO 504 CO 0.52 -1.22 -0.14 0.42 0.04 0.00 0.00 177.00 176.62 3nrr s ILE 505 N -1.67 2.41 0.22 0.56 1.01 -1.26 -4.85 121.20 117.61 3nrr s ILE 505 Ca 0.76 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 3nrr s ILE 505 Cb -0.29 -2.10 -0.10 0.00 0.01 0.00 0.00 42.46 39.98 3nrr s ILE 505 CO 0.34 0.41 1.47 -2.84 0.00 0.00 0.00 174.94 174.31 3nrr s PRO 506 N 1.31 4.26 -0.11 2.79 0.02 -1.26 -5.00 135.00 137.00 3nrr s PRO 506 Ca 0.03 2.30 -0.03 0.00 0.02 0.00 0.00 61.00 63.31 3nrr s PRO 506 Cb -0.14 -3.13 0.05 0.00 0.02 0.00 0.00 34.50 31.29 3nrr s PRO 506 CO -0.09 -0.47 0.11 -1.64 -0.33 0.00 0.00 177.00 174.58 3nrr s MET 507 N 0.12 0.02 0.29 5.54 -1.94 -1.26 -4.93 119.30 117.15 3nrr s MET 507 Ca 0.62 0.29 -0.24 0.00 -1.71 0.00 0.00 55.69 54.65 3nrr s MET 507 Cb -0.42 -0.88 -0.09 0.00 2.01 0.00 0.00 34.83 35.45 3nrr s MET 507 CO 0.39 -0.45 0.87 0.00 -0.01 0.00 0.00 175.02 175.82 3nrr s ALA 508 N 2.21 3.28 0.05 3.03 0.00 -1.26 -5.01 121.76 124.06 3nrr s ALA 508 Ca 0.04 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.12 3nrr s ALA 508 Cb -0.13 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 3nrr s ALA 508 CO -0.06 0.23 0.86 1.41 0.00 0.00 0.00 175.76 178.19 3nrr s MET 509 N -2.03 4.57 -1.28 0.00 1.75 -1.26 -4.99 119.30 116.06 3nrr s MET 509 Ca 0.48 1.23 -0.18 0.00 -1.25 0.00 0.00 55.69 55.97 3nrr s MET 509 Cb -0.18 -3.39 0.08 0.00 2.84 0.00 0.00 34.83 34.18 3nrr s MET 509 CO 0.23 0.18 1.69 -1.12 -0.65 0.00 0.00 175.02 175.35 3nrr s SER 510 N 0.23 6.86 0.00 1.11 0.01 -1.26 -5.19 113.70 115.46 3nrr s SER 510 Ca 0.43 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 55.21 3nrr s SER 510 Cb -0.21 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.46 3nrr s SER 510 CO 0.26 -1.13 0.00 0.00 0.41 0.00 0.00 173.24 172.78