#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjr s ASN 2 N 0.00 -0.21 0.26 7.83 4.22 -1.26 -5.00 114.94 120.78 1pjr s ASN 2 Ca 0.00 -0.57 0.07 0.00 -2.14 0.00 0.00 52.86 50.22 1pjr s ASN 2 Cb 0.00 0.57 0.76 0.00 1.28 0.00 0.00 41.25 43.86 1pjr s ASN 2 CO 0.00 -1.06 1.24 0.49 -2.04 0.00 0.00 177.10 175.73 1pjr n PHE 3 N -0.34 0.65 -0.02 1.54 3.01 -1.26 -1.00 117.46 120.04 1pjr n PHE 3 Ca -0.09 0.94 -0.11 0.00 1.01 0.00 0.00 57.45 59.21 1pjr n PHE 3 Cb 0.62 -1.18 -0.09 0.00 -0.01 0.00 0.00 39.48 38.82 1pjr n PHE 3 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1pjr h LEU 4 N 0.00 -0.05 -0.79 4.37 5.85 -1.97 -3.04 115.31 119.67 1pjr h LEU 4 Ca 0.54 -0.61 0.14 0.00 0.84 0.00 0.00 57.88 58.79 1pjr h LEU 4 Cb 1.26 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 1pjr h LEU 4 CO -0.70 0.67 0.37 0.28 -0.34 0.00 0.00 178.44 178.72 1pjr h SER 5 N -0.88 0.42 0.14 1.25 0.02 -1.40 -1.99 113.55 111.10 1pjr h SER 5 Ca -0.01 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1pjr h SER 5 Cb 0.66 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1pjr h SER 5 CO 0.01 0.18 -0.25 -0.33 -1.14 0.00 0.00 176.83 175.30 1pjr h GLU 6 N 0.55 0.20 0.00 3.45 5.08 -1.39 -1.50 114.58 120.97 1pjr h GLU 6 Ca 0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1pjr h GLU 6 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1pjr h GLU 6 CO -0.36 0.44 0.00 1.96 -1.00 0.00 0.00 179.01 180.05 1pjr h GLN 7 N 0.18 0.00 0.05 2.33 4.20 -1.24 0.20 115.11 120.82 1pjr h GLN 7 Ca 0.03 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.50 1pjr h GLN 7 Cb 0.55 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.35 1pjr h GLN 7 CO 0.04 0.00 -0.96 -0.07 -0.67 0.00 0.00 178.83 177.17 1pjr h LEU 8 N 0.00 0.76 -0.27 1.46 3.38 -1.09 -3.27 115.31 116.27 1pjr h LEU 8 Ca 0.00 -0.79 -0.20 0.00 0.09 0.00 0.00 57.88 56.98 1pjr h LEU 8 Cb 0.69 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1pjr h LEU 8 CO 0.00 1.46 -0.87 -0.07 0.09 0.00 0.00 178.44 179.04 1pjr h LEU 9 N 0.15 0.36 -5.97 1.67 3.38 -1.39 -3.38 115.31 110.13 1pjr h LEU 9 Ca -0.13 -0.28 -0.69 0.00 0.09 0.00 0.00 57.88 56.86 1pjr h LEU 9 Cb 1.65 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 1pjr h LEU 9 CO 0.19 1.07 3.09 0.00 0.09 0.00 0.00 178.44 182.87 1pjr n ALA 10 N -2.49 5.42 -0.29 1.53 0.00 0.68 -2.59 120.51 122.77 1pjr n ALA 10 Ca -0.05 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1pjr n ALA 10 Cb 0.80 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.72 1pjr n ALA 10 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pjr n HIS 11 N 6.03 0.00 -4.09 0.00 8.25 -1.26 -4.87 115.22 119.28 1pjr n HIS 11 Ca 0.54 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.77 1pjr n HIS 11 Cb 0.37 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 1pjr n HIS 11 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pjr s LEU 12 N 0.00 3.26 0.72 2.41 1.43 -1.07 -5.13 118.68 120.31 1pjr s LEU 12 Ca 0.00 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1pjr s LEU 12 Cb 0.00 -1.73 0.14 0.00 0.03 0.00 0.00 46.19 44.63 1pjr s LEU 12 CO 0.00 -0.32 1.00 0.54 0.23 0.00 0.00 176.35 177.80 1pjr s ASN 13 N -3.85 4.31 0.37 2.29 2.20 -1.26 -4.83 114.94 114.17 1pjr s ASN 13 Ca 0.38 -0.55 0.07 0.00 -0.94 0.00 0.00 52.86 51.83 1pjr s ASN 13 Cb -0.02 0.24 0.73 0.00 -2.00 0.00 0.00 41.25 40.19 1pjr s ASN 13 CO 0.23 -1.90 1.91 0.07 -2.94 0.00 0.00 177.10 174.47 1pjr h LYS 14 N -0.50 0.37 0.13 3.55 2.10 -1.99 -0.35 116.57 119.88 1pjr h LYS 14 Ca -0.34 -0.08 -0.30 0.00 -2.00 0.00 0.00 60.65 57.94 1pjr h LYS 14 Cb 1.26 -0.06 0.03 0.00 -0.90 0.00 0.00 32.23 32.57 1pjr h LYS 14 CO 0.38 0.44 -1.25 0.93 -2.00 0.00 0.00 179.45 177.95 1pjr h GLU 15 N 0.35 0.56 -0.18 0.07 3.07 -1.95 -2.52 114.58 113.99 1pjr h GLU 15 Ca 0.08 -0.77 0.02 0.00 -0.50 0.00 0.00 59.36 58.19 1pjr h GLU 15 Cb 0.32 0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1pjr h GLU 15 CO 0.01 1.35 0.04 1.96 -1.40 0.00 0.00 179.01 180.97 1pjr h GLN 16 N 0.24 0.11 -0.09 2.33 4.20 -1.83 -1.87 115.11 118.19 1pjr h GLN 16 Ca -0.18 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 1pjr h GLN 16 Cb 1.92 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.67 1pjr h GLN 16 CO 0.23 0.07 -0.20 1.96 -0.67 0.00 0.00 178.83 180.23 1pjr h GLN 17 N 0.11 0.15 0.00 1.46 4.20 -1.12 -1.36 115.11 118.55 1pjr h GLN 17 Ca 0.08 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1pjr h GLN 17 Cb 0.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1pjr h GLN 17 CO -0.11 0.35 -0.43 1.49 -0.67 0.00 0.00 178.83 179.47 1pjr h GLU 18 N 0.14 0.00 0.03 1.46 4.57 -0.93 -2.80 114.58 117.06 1pjr h GLU 18 Ca 0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1pjr h GLU 18 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1pjr h GLU 18 CO 0.03 0.43 -0.02 0.00 -1.18 0.00 0.00 179.01 178.27 1pjr h ALA 19 N 1.57 -0.05 -0.19 2.92 0.00 -0.85 -1.96 119.26 120.71 1pjr h ALA 19 Ca -0.00 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1pjr h ALA 19 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1pjr h ALA 19 CO 0.06 -0.23 0.27 0.28 0.00 0.00 0.00 179.25 179.63 1pjr h VAL 20 N -0.64 0.33 0.00 0.00 2.07 -1.25 -3.03 116.25 113.72 1pjr h VAL 20 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pjr h VAL 20 Cb 0.58 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1pjr h VAL 20 CO 0.01 0.00 -1.68 0.54 0.02 0.00 0.00 177.57 176.45 1pjr n ARG 21 N -3.57 0.64 -2.69 1.57 1.74 -1.06 -4.65 116.66 108.64 1pjr n ARG 21 Ca 0.02 -0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 1pjr n ARG 21 Cb 0.38 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 1pjr n ARG 21 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pjr s THR 22 N -3.21 4.16 -0.10 0.55 2.01 -0.75 -4.73 115.64 113.57 1pjr s THR 22 Ca -0.04 -0.86 0.15 0.00 0.31 0.00 0.00 61.69 61.25 1pjr s THR 22 Cb 0.12 -4.94 -0.12 0.00 0.01 0.00 0.00 72.50 67.58 1pjr s THR 22 CO 0.78 -1.77 0.94 0.71 -0.69 0.00 0.00 174.62 174.58 1pjr h THR 23 N 6.39 0.67 -3.07 -0.82 1.35 -1.84 -3.48 112.91 112.11 1pjr h THR 23 Ca 0.11 -2.19 -0.65 0.00 -0.55 0.00 0.00 66.41 63.13 1pjr h THR 23 Cb 1.02 2.19 -0.09 0.00 -1.73 0.00 0.00 68.15 69.54 1pjr h THR 23 CO 1.31 0.38 -0.57 -1.61 -0.25 0.00 0.00 175.52 174.78 1pjr s GLU 24 N -2.88 3.09 0.00 4.72 0.41 -1.26 -4.94 118.70 117.84 1pjr s GLU 24 Ca -0.02 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.05 1pjr s GLU 24 Cb 0.08 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.56 1pjr s GLU 24 CO 0.80 0.64 0.00 0.41 -0.49 0.00 0.00 175.26 176.62 1pjr n GLY 25 N 1.03 -1.05 3.70 -1.39 0.00 -1.26 -4.89 105.19 101.33 1pjr n GLY 25 Ca -0.12 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1pjr n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjr s PRO 26 N -1.55 4.36 -0.08 1.61 0.04 -0.98 -3.72 135.00 134.68 1pjr s PRO 26 Ca 0.00 1.84 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1pjr s PRO 26 Cb 0.00 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.13 1pjr s PRO 26 CO 0.00 -0.40 -0.08 -1.17 0.04 0.00 0.00 177.00 175.39 1pjr s LEU 27 N 1.61 1.32 -0.25 -3.56 2.96 0.02 -1.63 118.68 119.16 1pjr s LEU 27 Ca 0.60 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.15 1pjr s LEU 27 Cb -0.30 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 1pjr s LEU 27 CO 0.27 -0.06 0.14 -0.22 -1.32 0.00 0.00 176.35 175.16 1pjr s LEU 28 N 1.26 3.93 -0.42 -0.68 2.96 -0.38 -1.41 118.68 123.93 1pjr s LEU 28 Ca -0.04 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1pjr s LEU 28 Cb -0.14 -2.06 0.08 0.00 0.50 0.00 0.00 46.19 44.57 1pjr s LEU 28 CO -0.03 0.03 0.28 -0.63 -1.32 0.00 0.00 176.35 174.67 1pjr s ILE 29 N 1.28 4.37 -0.69 6.68 1.01 0.43 -1.86 121.20 132.41 1pjr s ILE 29 Ca 0.07 -1.34 -0.25 0.00 0.00 0.00 0.00 60.65 59.12 1pjr s ILE 29 Cb -0.14 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1pjr s ILE 29 CO 0.06 -0.51 1.13 -0.04 0.00 0.00 0.00 174.94 175.58 1pjr s MET 30 N 1.46 3.18 -0.49 2.79 -1.94 -0.21 -2.11 119.30 121.98 1pjr s MET 30 Ca 0.03 -0.46 -0.19 0.00 -1.71 0.00 0.00 55.69 53.37 1pjr s MET 30 Cb -0.23 -4.18 0.05 0.00 2.01 0.00 0.00 34.83 32.48 1pjr s MET 30 CO 0.03 -1.95 0.59 0.00 -0.01 0.00 0.00 175.02 173.67 1pjr s ALA 31 N 4.92 3.40 0.94 3.03 0.00 -0.35 -1.07 121.76 132.63 1pjr s ALA 31 Ca 0.30 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.46 1pjr s ALA 31 Cb -0.12 -3.29 0.16 0.00 0.00 0.00 0.00 23.12 19.87 1pjr s ALA 31 CO 0.14 -1.91 1.09 0.20 0.00 0.00 0.00 175.76 175.28 1pjr s GLY 32 N 2.49 1.61 0.08 0.00 0.00 -0.72 -4.35 107.32 106.43 1pjr s GLY 32 Ca 0.15 -0.02 -0.31 0.00 0.00 0.00 0.00 44.72 44.54 1pjr s GLY 32 CO 0.12 0.50 1.91 0.00 0.00 0.00 0.00 173.10 175.63 1pjr n ALA 33 N -4.08 1.89 -0.95 3.20 0.00 -1.26 -2.37 120.51 116.93 1pjr n ALA 33 Ca 0.07 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1pjr n ALA 33 Cb 0.55 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1pjr n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pjr n GLY 34 N 4.39 0.41 1.04 0.00 0.00 -1.26 -4.77 105.19 105.00 1pjr n GLY 34 Ca 0.19 -1.04 0.10 0.00 0.00 0.00 0.00 46.02 45.27 1pjr n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pjr n SER 35 N 1.89 3.02 -1.22 1.61 3.41 -1.00 -1.52 113.62 119.81 1pjr n SER 35 Ca 0.00 -1.97 -0.03 0.00 -0.26 0.00 0.00 58.87 56.60 1pjr n SER 35 Cb 0.00 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 63.62 1pjr n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pjr n GLY 36 N 1.41 0.50 0.22 5.00 0.00 -1.26 -4.95 105.19 106.11 1pjr n GLY 36 Ca 0.19 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.80 1pjr n GLY 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pjr h LYS 37 N -0.37 0.07 -0.39 1.61 2.10 -1.94 -2.76 116.57 114.90 1pjr h LYS 37 Ca -0.09 -0.02 -0.15 0.00 -2.00 0.00 0.00 60.65 58.38 1pjr h LYS 37 Cb 1.06 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1pjr h LYS 37 CO 0.09 0.27 -0.36 1.15 -2.00 0.00 0.00 179.45 178.60 1pjr h THR 38 N 0.07 1.27 -0.38 0.07 2.02 -1.99 -1.43 112.91 112.54 1pjr h THR 38 Ca 0.01 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1pjr h THR 38 Cb 0.39 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1pjr h THR 38 CO 0.03 0.51 0.24 -0.09 0.37 0.00 0.00 175.52 176.58 1pjr h ARG 39 N 0.76 0.50 -0.48 6.66 2.43 -1.90 0.84 114.38 123.19 1pjr h ARG 39 Ca 0.07 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1pjr h ARG 39 Cb 0.95 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1pjr h ARG 39 CO 0.09 0.36 0.15 0.28 -1.51 0.00 0.00 179.97 179.34 1pjr h VAL 40 N 0.50 1.23 -0.15 0.20 2.07 -1.35 -1.17 116.25 117.57 1pjr h VAL 40 Ca 0.14 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1pjr h VAL 40 Cb -0.02 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1pjr h VAL 40 CO -0.03 0.28 -0.05 0.25 0.02 0.00 0.00 177.57 178.04 1pjr h LEU 41 N 0.64 0.31 -0.60 2.57 5.85 -0.74 -0.86 115.31 122.48 1pjr h LEU 41 Ca 0.15 -0.39 -0.14 0.00 0.84 0.00 0.00 57.88 58.35 1pjr h LEU 41 Cb 0.27 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1pjr h LEU 41 CO -0.00 0.63 -0.38 0.71 -0.34 0.00 0.00 178.44 179.05 1pjr h THR 42 N -0.01 1.29 -0.06 1.05 1.35 -0.87 -2.60 112.91 113.06 1pjr h THR 42 Ca 0.04 -1.55 -0.14 0.00 -0.55 0.00 0.00 66.41 64.21 1pjr h THR 42 Cb 0.50 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1pjr h THR 42 CO 0.02 0.50 -0.59 0.45 -0.25 0.00 0.00 175.52 175.65 1pjr h HIS 43 N 0.56 0.27 -0.67 4.73 3.86 -1.15 -1.45 115.15 121.30 1pjr h HIS 43 Ca 0.05 -0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 1pjr h HIS 43 Cb 0.91 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.30 1pjr h HIS 43 CO 0.04 0.75 0.16 -0.09 0.86 0.00 0.00 177.93 179.65 1pjr h ARG 44 N 0.16 1.08 0.06 2.45 2.43 -0.95 0.21 114.38 119.81 1pjr h ARG 44 Ca -0.00 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1pjr h ARG 44 Cb 1.08 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1pjr h ARG 44 CO 0.09 0.96 -0.03 0.82 -1.51 0.00 0.00 179.97 180.30 1pjr h ILE 45 N 1.01 1.03 -0.85 1.20 2.04 -1.30 -0.97 117.51 119.67 1pjr h ILE 45 Ca 0.21 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1pjr h ILE 45 Cb 0.37 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1pjr h ILE 45 CO 0.00 0.08 0.56 0.00 0.00 0.00 0.00 178.15 178.79 1pjr h ALA 46 N 0.71 1.47 -0.56 1.87 0.00 -1.08 -2.50 119.26 119.17 1pjr h ALA 46 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1pjr h ALA 46 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1pjr h ALA 46 CO 0.01 0.45 -0.08 -0.92 0.00 0.00 0.00 179.25 178.71 1pjr h TYR 47 N 1.07 1.17 -0.85 0.00 3.20 -0.31 -0.65 116.97 120.60 1pjr h TYR 47 Ca 0.33 -0.23 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1pjr h TYR 47 Cb 0.01 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 37.93 1pjr h TYR 47 CO -0.00 1.07 0.53 -0.07 -1.64 0.00 0.00 178.16 178.04 1pjr h LEU 48 N 0.94 0.82 0.12 2.82 3.38 -0.73 -0.55 115.31 122.12 1pjr h LEU 48 Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1pjr h LEU 48 Cb 0.66 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1pjr h LEU 48 CO 0.05 0.53 -0.06 0.24 0.09 0.00 0.00 178.44 179.29 1pjr h MET 49 N 0.96 -0.15 -0.83 1.13 2.86 -1.31 0.18 114.93 117.75 1pjr h MET 49 Ca 0.37 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.07 1pjr h MET 49 Cb 0.17 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 1pjr h MET 49 CO -0.17 -0.10 0.52 0.00 1.06 0.00 0.00 176.91 178.21 1pjr h ALA 50 N -1.23 1.13 0.00 6.32 0.00 -1.18 -1.45 119.26 122.84 1pjr h ALA 50 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1pjr h ALA 50 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pjr h ALA 50 CO 0.03 0.28 -1.21 -1.91 0.00 0.00 0.00 179.25 176.44 1pjr n GLU 51 N -4.62 0.52 0.05 0.00 4.07 -0.26 -4.50 120.64 115.91 1pjr n GLU 51 Ca 0.11 0.38 0.14 0.00 -0.06 0.00 0.00 57.16 57.73 1pjr n GLU 51 Cb 0.15 -1.58 0.51 0.00 -0.06 0.00 0.00 31.44 30.46 1pjr n GLU 51 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1pjr n LYS 52 N -4.46 0.12 -3.51 5.31 3.00 -0.94 -4.91 118.16 112.77 1pjr n LYS 52 Ca -0.23 0.09 -0.24 0.00 -0.00 0.00 0.00 58.31 57.94 1pjr n LYS 52 Cb 0.54 -1.63 0.07 0.00 0.00 0.00 0.00 35.03 34.01 1pjr n LYS 52 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1pjr n HIS 53 N -1.84 -2.74 -2.70 5.64 8.25 0.53 -4.94 115.22 117.42 1pjr n HIS 53 Ca 0.06 0.94 -0.37 0.00 -0.26 0.00 0.00 57.72 58.10 1pjr n HIS 53 Cb 0.38 -4.95 -0.06 0.00 1.12 0.00 0.00 29.99 26.48 1pjr n HIS 53 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pjr s VAL 54 N -3.30 4.04 0.38 1.59 1.01 -0.66 -4.96 120.40 118.50 1pjr s VAL 54 Ca 0.54 1.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.90 1pjr s VAL 54 Cb -0.24 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1pjr s VAL 54 CO 0.67 0.06 1.01 0.00 0.00 0.00 0.00 175.10 176.85 1pjr s ALA 55 N -1.66 3.12 0.43 5.51 0.00 -1.26 -4.38 121.76 123.51 1pjr s ALA 55 Ca 0.53 0.63 0.14 0.00 0.00 0.00 0.00 51.96 53.26 1pjr s ALA 55 Cb -0.19 -3.24 1.02 0.00 0.00 0.00 0.00 23.12 20.70 1pjr s ALA 55 CO 0.25 -0.08 1.96 -1.35 0.00 0.00 0.00 175.76 176.54 1pjr h PRO 56 N 2.62 0.42 0.00 0.00 0.11 -1.88 -1.64 132.00 131.63 1pjr h PRO 56 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pjr h PRO 56 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pjr h PRO 56 CO 0.63 0.28 0.00 -2.67 -0.21 0.00 0.00 178.00 176.03 1pjr n TRP 57 N -4.47 0.00 -0.32 0.65 2.14 -1.22 -3.10 117.44 111.12 1pjr n TRP 57 Ca 0.11 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.76 1pjr n TRP 57 Cb 0.40 0.00 0.24 0.00 -0.81 0.00 0.00 31.31 31.14 1pjr n TRP 57 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1pjr n ASN 58 N -0.90 3.52 -4.27 -0.67 5.03 -0.61 -4.72 115.26 112.64 1pjr n ASN 58 Ca 0.19 -2.07 -0.32 0.00 0.87 0.00 0.00 54.58 53.24 1pjr n ASN 58 Cb 0.08 -0.37 -0.16 0.00 -1.02 0.00 0.00 39.78 38.31 1pjr n ASN 58 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pjr s ILE 59 N -1.13 2.33 -0.07 2.41 1.01 -1.18 -0.45 121.20 124.12 1pjr s ILE 59 Ca 0.37 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.13 1pjr s ILE 59 Cb 0.20 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1pjr s ILE 59 CO 0.23 0.56 -0.23 -0.22 0.00 0.00 0.00 174.94 175.28 1pjr s LEU 60 N 0.20 2.03 -0.15 2.97 2.96 -0.28 -2.55 118.68 123.85 1pjr s LEU 60 Ca -0.13 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.29 1pjr s LEU 60 Cb -0.16 -1.29 0.03 0.00 0.50 0.00 0.00 46.19 45.26 1pjr s LEU 60 CO 0.07 0.20 -0.09 0.00 -1.32 0.00 0.00 176.35 175.21 1pjr s ALA 61 N 0.03 1.60 -0.07 5.97 0.00 0.00 -0.67 121.76 128.62 1pjr s ALA 61 Ca -0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1pjr s ALA 61 Cb -0.15 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1pjr s ALA 61 CO 0.05 -0.57 -0.00 0.42 0.00 0.00 0.00 175.76 175.66 1pjr s ILE 62 N 1.59 4.27 0.34 0.00 1.01 0.96 -1.71 121.20 127.66 1pjr s ILE 62 Ca 0.03 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1pjr s ILE 62 Cb -0.14 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1pjr s ILE 62 CO -0.09 0.58 0.15 -0.89 0.00 0.00 0.00 174.94 174.68 1pjr s THR 63 N -0.91 0.48 -0.14 2.92 2.01 -0.57 -1.02 115.64 118.41 1pjr s THR 63 Ca 0.14 -2.00 0.20 0.00 0.31 0.00 0.00 61.69 60.34 1pjr s THR 63 Cb -0.11 -2.49 -0.15 0.00 0.01 0.00 0.00 72.50 69.76 1pjr s THR 63 CO 0.03 0.00 0.73 0.49 -0.69 0.00 0.00 174.62 175.19 1pjr n PHE 64 N -0.70 0.67 -4.33 4.92 3.01 -1.26 -3.10 117.46 116.67 1pjr n PHE 64 Ca -0.01 0.21 -0.19 0.00 1.01 0.00 0.00 57.45 58.47 1pjr n PHE 64 Cb 0.65 -0.91 -0.10 0.00 -0.01 0.00 0.00 39.48 39.10 1pjr n PHE 64 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1pjr s THR 65 N -3.14 1.70 0.17 4.37 -4.23 -1.26 -4.82 115.64 108.44 1pjr s THR 65 Ca -0.04 -2.12 -0.10 0.00 -1.18 0.00 0.00 61.69 58.25 1pjr s THR 65 Cb 0.10 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 72.03 1pjr s THR 65 CO 0.83 -0.54 1.63 0.78 -0.54 0.00 0.00 174.62 176.78 1pjr h ASN 66 N 2.75 1.02 -0.56 3.99 2.35 -2.00 -2.36 115.58 120.79 1pjr h ASN 66 Ca -0.39 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.02 1pjr h ASN 66 Cb 1.22 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 1pjr h ASN 66 CO 0.59 1.08 0.24 0.07 -1.65 0.00 0.00 177.43 177.77 1pjr h LYS 67 N 0.93 0.86 -0.55 0.81 2.10 -1.98 -0.75 116.57 117.99 1pjr h LYS 67 Ca 0.16 -0.13 -0.05 0.00 -2.00 0.00 0.00 60.65 58.63 1pjr h LYS 67 Cb 0.57 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 1pjr h LYS 67 CO 0.03 0.71 0.15 0.00 -2.00 0.00 0.00 179.45 178.34 1pjr h ALA 68 N 1.41 0.72 -0.45 0.07 0.00 -1.96 0.23 119.26 119.28 1pjr h ALA 68 Ca 0.20 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1pjr h ALA 68 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1pjr h ALA 68 CO -0.02 0.40 -0.18 0.00 0.00 0.00 0.00 179.25 179.45 1pjr h ALA 69 N 1.02 0.83 -0.16 0.00 0.00 -0.85 -1.72 119.26 118.38 1pjr h ALA 69 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1pjr h ALA 69 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pjr h ALA 69 CO -0.00 0.65 -0.02 -0.09 0.00 0.00 0.00 179.25 179.78 1pjr h ARG 70 N 0.77 0.30 -0.01 0.00 2.43 -0.73 -1.16 114.38 115.98 1pjr h ARG 70 Ca 0.11 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1pjr h ARG 70 Cb 0.72 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1pjr h ARG 70 CO 0.06 0.55 -0.55 1.05 -1.51 0.00 0.00 179.97 179.57 1pjr h GLU 71 N 0.02 0.04 -0.73 0.20 4.11 -0.49 -1.22 114.58 116.51 1pjr h GLU 71 Ca 0.04 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.39 1pjr h GLU 71 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1pjr h GLU 71 CO 0.01 0.58 0.22 1.98 0.07 0.00 0.00 179.01 181.87 1pjr h MET 72 N 0.03 1.15 -0.05 1.06 4.05 -1.20 -0.81 114.93 119.17 1pjr h MET 72 Ca -0.00 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1pjr h MET 72 Cb 0.98 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1pjr h MET 72 CO 0.07 0.99 0.03 0.00 0.23 0.00 0.00 176.91 178.23 1pjr h ARG 73 N 1.10 0.06 -0.64 0.39 2.47 -0.42 -1.14 114.38 116.20 1pjr h ARG 73 Ca 0.24 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.99 1pjr h ARG 73 Cb 0.33 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.59 1pjr h ARG 73 CO -0.01 0.06 0.39 0.93 0.56 0.00 0.00 179.97 181.91 1pjr h GLU 74 N 0.04 0.73 -0.00 0.04 5.08 -1.10 -1.14 114.58 118.22 1pjr h GLU 74 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pjr h GLU 74 Cb 0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1pjr h GLU 74 CO -0.00 0.48 -0.02 0.00 -1.00 0.00 0.00 179.01 178.47 1pjr h ARG 75 N 0.75 -0.03 -0.55 2.33 -0.00 -0.97 -1.88 114.38 114.04 1pjr h ARG 75 Ca 0.27 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.67 1pjr h ARG 75 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 1pjr h ARG 75 CO -0.12 -0.02 0.02 0.28 0.00 0.00 0.00 179.97 180.13 1pjr h VAL 76 N -0.04 1.25 -0.28 2.04 2.07 -1.04 -3.10 116.25 117.15 1pjr h VAL 76 Ca 0.01 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 1pjr h VAL 76 Cb 0.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1pjr h VAL 76 CO -0.02 0.38 -0.16 -0.61 0.02 0.00 0.00 177.57 177.17 1pjr h GLN 77 N 0.85 0.49 -0.89 1.57 4.15 -1.01 -0.91 115.11 119.37 1pjr h GLN 77 Ca 0.16 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1pjr h GLN 77 Cb 0.47 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 1pjr h GLN 77 CO 0.02 0.64 0.56 0.77 -1.93 0.00 0.00 178.83 178.89 1pjr h SER 78 N 0.45 1.05 0.17 -0.69 0.02 -1.27 0.42 113.55 113.70 1pjr h SER 78 Ca 0.08 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1pjr h SER 78 Cb 0.54 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1pjr h SER 78 CO 0.03 0.79 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.36 1pjr h LEU 79 N 1.22 -0.19 -1.33 5.07 4.07 -1.43 -3.39 115.31 119.32 1pjr h LEU 79 Ca 0.32 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1pjr h LEU 79 Cb -0.09 0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1pjr h LEU 79 CO -0.06 0.36 -0.21 0.18 -1.08 0.00 0.00 178.44 177.63 1pjr n LEU 80 N -4.93 2.20 0.00 1.67 4.32 -0.40 -5.09 117.00 114.78 1pjr n LEU 80 Ca -0.07 -0.87 0.00 0.00 -0.02 0.00 0.00 56.01 55.04 1pjr n LEU 80 Cb 0.26 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1pjr n LEU 80 CO 0.24 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.42 1pjr n GLY 81 N 1.20 0.40 0.00 -0.72 0.00 0.13 -3.38 105.19 102.82 1pjr n GLY 81 Ca 0.10 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.29 1pjr n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjr n GLY 82 N 0.00 -0.45 0.16 -0.02 0.00 -1.26 -1.95 105.19 101.67 1pjr n GLY 82 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1pjr n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjr h ALA 83 N 2.11 1.00 0.00 4.61 0.00 -1.95 -2.91 119.26 122.12 1pjr h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pjr h ALA 83 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pjr h ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1pjr n ALA 84 N -1.84 2.03 0.02 0.00 0.00 -0.82 -3.99 120.51 115.91 1pjr n ALA 84 Ca 0.02 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1pjr n ALA 84 Cb 0.26 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 1pjr n ALA 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pjr h GLU 85 N 0.00 0.71 -0.06 0.00 4.39 -1.76 -3.26 114.58 114.60 1pjr h GLU 85 Ca 0.00 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1pjr h GLU 85 Cb 0.27 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1pjr h GLU 85 CO 0.00 1.28 0.00 -0.25 -1.16 0.00 0.00 179.01 178.88 1pjr n ASP 86 N -3.87 0.33 -4.76 1.42 8.00 -1.26 -4.80 116.55 111.62 1pjr n ASP 86 Ca -0.09 -1.89 -0.39 0.00 0.71 0.00 0.00 54.79 53.12 1pjr n ASP 86 Cb 0.83 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.84 1pjr n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pjr s VAL 87 N -1.92 4.64 -0.73 2.53 1.01 -1.23 -3.40 120.40 121.29 1pjr s VAL 87 Ca 0.09 1.57 -0.23 0.00 0.00 0.00 0.00 61.98 63.41 1pjr s VAL 87 Cb 0.05 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1pjr s VAL 87 CO 0.07 0.44 1.06 0.26 0.00 0.00 0.00 175.10 176.93 1pjr s TRP 88 N -0.53 2.66 -0.41 5.22 0.52 -1.06 -4.95 118.94 120.39 1pjr s TRP 88 Ca 0.36 -0.60 -0.10 0.00 0.02 0.00 0.00 56.10 55.78 1pjr s TRP 88 Cb -0.21 -4.37 0.07 0.00 -1.15 0.00 0.00 33.47 27.81 1pjr s TRP 88 CO 0.23 -1.71 0.26 0.42 0.02 0.00 0.00 176.95 176.17 1pjr s ILE 89 N 4.20 4.42 0.17 2.03 1.01 -1.26 -0.82 121.20 130.96 1pjr s ILE 89 Ca 0.27 -1.23 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 1pjr s ILE 89 Cb -0.13 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1pjr s ILE 89 CO 0.07 -0.45 0.37 -0.94 0.00 0.00 0.00 174.94 173.99 1pjr s SER 90 N 2.04 -0.07 0.82 3.58 1.04 -0.69 -4.96 113.70 115.45 1pjr s SER 90 Ca 0.03 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 1pjr s SER 90 Cb -0.22 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.46 1pjr s SER 90 CO 0.04 -0.93 1.09 0.42 0.98 0.00 0.00 173.24 174.83 1pjr s THR 91 N -3.92 3.06 0.28 2.02 -4.23 -1.26 -1.51 115.64 110.08 1pjr s THR 91 Ca 0.13 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1pjr s THR 91 Cb 0.02 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.17 1pjr s THR 91 CO -0.03 -0.45 1.83 -0.26 -0.54 0.00 0.00 174.62 175.17 1pjr h PHE 92 N -1.21 1.08 -0.13 3.99 0.04 -1.86 -2.37 116.94 116.48 1pjr h PHE 92 Ca -0.47 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.30 1pjr h PHE 92 Cb 1.26 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 39.07 1pjr h PHE 92 CO 0.48 0.42 -0.04 0.45 -0.60 0.00 0.00 178.31 179.02 1pjr h HIS 93 N 0.94 0.29 -0.89 -0.55 3.86 -1.93 -2.74 115.15 114.13 1pjr h HIS 93 Ca 0.48 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.64 1pjr h HIS 93 Cb 0.49 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 1pjr h HIS 93 CO -0.02 0.56 0.59 0.77 0.86 0.00 0.00 177.93 180.69 1pjr h SER 94 N -0.07 1.00 0.11 2.45 0.02 -1.86 -0.40 113.55 114.81 1pjr h SER 94 Ca 0.03 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 1pjr h SER 94 Cb 0.48 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1pjr h SER 94 CO 0.01 0.72 -0.76 0.00 -1.14 0.00 0.00 176.83 175.67 1pjr h MET 95 N 1.18 0.55 -0.72 3.45 -0.00 -1.45 -2.57 114.93 115.37 1pjr h MET 95 Ca 0.33 -0.45 -0.04 0.00 -0.00 0.00 0.00 59.70 59.55 1pjr h MET 95 Cb -0.10 0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 1pjr h MET 95 CO -0.08 1.08 0.31 0.00 -0.00 0.00 0.00 176.91 178.21 1pjr h VAL 97 N 1.03 1.12 -0.69 0.00 2.07 -0.96 -0.47 116.25 118.35 1pjr h VAL 97 Ca 0.24 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1pjr h VAL 97 Cb 0.17 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1pjr h VAL 97 CO -0.02 0.12 0.28 -0.09 0.02 0.00 0.00 177.57 177.88 1pjr h ARG 98 N 0.52 1.02 -0.17 1.57 2.43 -1.03 -0.47 114.38 118.24 1pjr h ARG 98 Ca 0.14 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1pjr h ARG 98 Cb -0.01 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1pjr h ARG 98 CO -0.03 0.82 -0.14 0.82 -1.51 0.00 0.00 179.97 179.93 1pjr h ILE 99 N 1.00 1.33 -0.25 1.20 2.04 -0.68 -3.34 117.51 118.81 1pjr h ILE 99 Ca 0.23 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 1pjr h ILE 99 Cb 0.18 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1pjr h ILE 99 CO -0.02 0.38 -0.01 -0.07 0.00 0.00 0.00 178.15 178.43 1pjr h LEU 100 N 0.05 0.44 0.00 1.44 3.38 -0.80 -3.00 115.31 116.83 1pjr h LEU 100 Ca 0.03 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1pjr h LEU 100 Cb 0.66 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1pjr h LEU 100 CO 0.04 0.66 0.00 0.54 0.09 0.00 0.00 178.44 179.77 1pjr n ARG 101 N -4.61 0.06 -0.03 1.13 1.74 -0.21 -0.67 116.66 114.07 1pjr n ARG 101 Ca -0.04 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 1pjr n ARG 101 Cb 0.26 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1pjr n ARG 101 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1pjr n ARG 102 N -0.96 1.23 -0.03 5.56 0.63 -1.14 -4.86 116.66 117.09 1pjr n ARG 102 Ca 0.01 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1pjr n ARG 102 Cb 0.01 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 31.77 1pjr n ARG 102 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pjr n ASP 103 N -2.54 0.70 0.21 6.15 8.00 -1.02 -4.81 116.55 123.26 1pjr n ASP 103 Ca -0.12 -1.42 0.15 0.00 0.71 0.00 0.00 54.79 54.11 1pjr n ASP 103 Cb 0.66 -0.02 0.61 0.00 -0.02 0.00 0.00 41.12 42.34 1pjr n ASP 103 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1pjr h ILE 104 N 2.15 0.00 -0.15 0.53 2.10 -1.12 -2.55 117.51 118.47 1pjr h ILE 104 Ca 0.00 -0.38 0.04 0.00 1.08 0.00 0.00 64.86 65.61 1pjr h ILE 104 Cb 0.86 1.25 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 1pjr h ILE 104 CO 0.00 0.00 0.15 -2.24 -1.08 0.00 0.00 178.15 174.98 1pjr h ASP 105 N 0.00 0.00 0.59 2.19 2.03 -1.77 -1.21 116.42 118.24 1pjr h ASP 105 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1pjr h ASP 105 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1pjr h ASP 105 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 179.24 178.24 1pjr h ARG 106 N 0.00 0.00 -0.02 4.15 3.08 -1.74 -2.03 114.38 117.82 1pjr h ARG 106 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1pjr h ARG 106 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1pjr h ARG 106 CO -0.00 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.34 1pjr n ILE 107 N -2.53 1.62 -0.35 2.04 -5.35 -0.46 -5.01 119.36 109.33 1pjr n ILE 107 Ca 0.01 -1.85 0.00 0.00 -0.27 0.00 0.00 62.75 60.64 1pjr n ILE 107 Cb 0.19 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 1pjr n ILE 107 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pjr n GLY 108 N -1.08 0.79 3.29 3.28 0.00 -0.76 -5.08 105.19 105.62 1pjr n GLY 108 Ca 0.11 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1pjr n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pjr s ILE 109 N -2.00 1.79 0.35 -0.61 1.01 -1.21 -5.03 121.20 115.51 1pjr s ILE 109 Ca 0.00 -1.37 -0.27 0.00 0.00 0.00 0.00 60.65 59.01 1pjr s ILE 109 Cb 0.00 -1.58 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 1pjr s ILE 109 CO 0.00 0.14 1.09 0.20 0.00 0.00 0.00 174.94 176.37 1pjr s ASN 110 N -1.48 6.94 0.56 3.58 0.02 -1.26 -2.73 114.94 120.56 1pjr s ASN 110 Ca 0.08 2.20 0.36 0.00 -1.02 0.00 0.00 52.86 54.48 1pjr s ASN 110 Cb -0.09 -2.61 1.62 0.00 0.02 0.00 0.00 41.25 40.19 1pjr s ASN 110 CO 0.03 -0.37 2.06 0.03 0.02 0.00 0.00 177.10 178.87 1pjr h ARG 111 N 3.10 0.00 -0.96 -0.60 3.08 -1.90 -1.10 114.38 116.00 1pjr h ARG 111 Ca -0.48 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.31 1pjr h ARG 111 Cb 1.22 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.11 1pjr h ARG 111 CO 0.64 0.00 0.33 0.27 -1.07 0.00 0.00 179.97 180.14 1pjr n ASN 112 N -3.01 3.53 -4.54 7.04 0.23 -1.26 -4.64 115.26 112.61 1pjr n ASN 112 Ca -0.00 -2.90 -0.36 0.00 -0.53 0.00 0.00 54.58 50.78 1pjr n ASN 112 Cb 0.23 -0.69 0.08 0.00 -2.08 0.00 0.00 39.78 37.32 1pjr n ASN 112 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1pjr n PHE 113 N -0.35 -0.03 -3.99 -2.53 1.16 -0.42 -5.02 117.46 106.29 1pjr n PHE 113 Ca 0.33 0.38 -0.31 0.00 -1.87 0.00 0.00 57.45 55.98 1pjr n PHE 113 Cb 1.15 -2.00 -0.05 0.00 -1.61 0.00 0.00 39.48 36.96 1pjr n PHE 113 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1pjr s SER 114 N -1.54 5.96 -0.17 5.98 1.04 -0.99 -4.98 113.70 119.01 1pjr s SER 114 Ca 0.70 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 57.23 1pjr s SER 114 Cb -0.35 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 1pjr s SER 114 CO 0.54 0.19 0.00 -0.63 0.98 0.00 0.00 173.24 174.32 1pjr s ILE 115 N -1.41 4.24 0.07 -1.02 1.01 -1.26 -1.00 121.20 121.83 1pjr s ILE 115 Ca 0.31 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.42 1pjr s ILE 115 Cb -0.13 -2.89 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 1pjr s ILE 115 CO 0.23 0.48 1.32 -0.76 0.00 0.00 0.00 174.94 176.21 1pjr s LEU 116 N 0.40 4.36 0.50 2.97 1.02 0.23 -4.94 118.68 123.22 1pjr s LEU 116 Ca -0.01 2.16 -0.19 0.00 0.02 0.00 0.00 54.13 56.11 1pjr s LEU 116 Cb -0.13 -3.58 -0.08 0.00 0.02 0.00 0.00 46.19 42.42 1pjr s LEU 116 CO 0.02 -0.60 1.02 -0.62 0.02 0.00 0.00 176.35 176.19 1pjr s ASP 117 N 1.23 6.39 0.17 2.29 -1.08 -1.26 -4.35 116.67 120.06 1pjr s ASP 117 Ca 0.62 1.80 0.07 0.00 -0.52 0.00 0.00 52.55 54.52 1pjr s ASP 117 Cb -0.33 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 38.97 1pjr s ASP 117 CO 0.29 -0.75 1.06 -2.65 0.52 0.00 0.00 175.17 173.64 1pjr n PRO 118 N -1.22 0.05 -0.05 4.34 -0.02 -1.26 -1.43 135.00 135.41 1pjr n PRO 118 Ca 0.08 0.44 -0.18 0.00 -2.02 0.00 0.00 63.50 61.83 1pjr n PRO 118 Cb 0.53 -1.91 -0.13 0.00 -0.02 0.00 0.00 33.50 31.96 1pjr n PRO 118 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1pjr n THR 119 N -1.70 1.63 -0.09 3.45 -2.24 -1.26 -3.00 114.28 111.07 1pjr n THR 119 Ca -0.00 -0.66 -0.07 0.00 -2.27 0.00 0.00 64.05 61.04 1pjr n THR 119 Cb 0.27 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 1pjr n THR 119 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1pjr h ASP 120 N 0.03 0.18 -0.92 3.42 3.32 -1.65 0.24 116.42 121.04 1pjr h ASP 120 Ca -0.47 0.02 0.14 0.00 0.02 0.00 0.00 57.03 56.75 1pjr h ASP 120 Cb 2.01 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.46 1pjr h ASP 120 CO 0.02 0.14 0.53 -0.61 -1.72 0.00 0.00 179.24 177.60 1pjr h GLN 121 N 0.29 0.74 -0.05 3.56 4.15 -1.38 0.13 115.11 122.55 1pjr h GLN 121 Ca 0.14 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.34 1pjr h GLN 121 Cb 0.08 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1pjr h GLN 121 CO -0.12 0.49 -0.72 1.25 -1.93 0.00 0.00 178.83 177.80 1pjr h LEU 122 N 0.77 0.31 0.08 -2.39 5.85 -1.30 -1.79 115.31 116.84 1pjr h LEU 122 Ca 0.49 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1pjr h LEU 122 Cb 0.63 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1pjr h LEU 122 CO -0.33 0.93 -0.04 0.28 -0.34 0.00 0.00 178.44 178.94 1pjr h SER 123 N 0.17 -0.10 -0.55 1.25 0.02 0.13 -0.61 113.55 113.86 1pjr h SER 123 Ca -0.02 -0.20 0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1pjr h SER 123 Cb 1.28 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.78 1pjr h SER 123 CO 0.11 0.15 0.19 0.58 -1.14 0.00 0.00 176.83 176.72 1pjr h VAL 124 N -0.35 0.78 -0.34 2.27 2.07 -1.21 -0.84 116.25 118.64 1pjr h VAL 124 Ca -0.01 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1pjr h VAL 124 Cb 0.30 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1pjr h VAL 124 CO 0.02 0.07 0.22 -0.03 0.02 0.00 0.00 177.57 177.86 1pjr h MET 125 N 0.36 0.46 -0.58 1.57 -1.53 -1.21 -1.94 114.93 112.06 1pjr h MET 125 Ca 0.27 -0.04 -0.06 0.00 -3.44 0.00 0.00 59.70 56.44 1pjr h MET 125 Cb 0.33 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.25 1pjr h MET 125 CO -0.29 0.33 0.14 0.87 0.14 0.00 0.00 176.91 178.10 1pjr h LYS 126 N 0.46 0.92 -0.50 0.39 1.57 -0.28 -1.77 116.57 117.37 1pjr h LYS 126 Ca 0.12 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1pjr h LYS 126 Cb -0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1pjr h LYS 126 CO -0.02 0.86 0.28 1.15 -0.57 0.00 0.00 179.45 181.14 1pjr h THR 127 N 0.83 1.17 -0.88 -0.16 2.02 -1.02 0.37 112.91 115.24 1pjr h THR 127 Ca 0.18 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1pjr h THR 127 Cb 0.34 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1pjr h THR 127 CO 0.00 0.18 0.57 0.40 0.37 0.00 0.00 175.52 177.04 1pjr h ILE 128 N 0.66 1.17 -0.32 3.11 2.04 -1.14 -0.04 117.51 122.99 1pjr h ILE 128 Ca 0.18 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1pjr h ILE 128 Cb 0.04 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1pjr h ILE 128 CO -0.03 0.21 0.05 -0.07 0.00 0.00 0.00 178.15 178.31 1pjr h LEU 129 N 1.13 0.52 -0.08 1.44 4.07 -0.52 -2.83 115.31 119.03 1pjr h LEU 129 Ca 0.34 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 1pjr h LEU 129 Cb -0.03 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 1pjr h LEU 129 CO -0.10 0.65 0.05 0.50 -1.08 0.00 0.00 178.44 178.45 1pjr h LYS 130 N 0.37 0.12 -0.07 1.13 3.64 0.46 0.36 116.57 122.58 1pjr h LYS 130 Ca 0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1pjr h LYS 130 Cb 0.35 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pjr h LYS 130 CO 0.01 0.14 0.00 0.39 -2.27 0.00 0.00 179.45 177.72 1pjr n GLU 131 N -4.99 0.35 0.00 1.90 1.02 -0.10 -4.44 120.64 114.38 1pjr n GLU 131 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1pjr n GLU 131 Cb 0.06 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1pjr n GLU 131 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pjr n LYS 132 N -0.34 0.00 -4.51 3.49 5.02 -0.04 -5.04 118.16 116.74 1pjr n LYS 132 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1pjr n LYS 132 Cb 0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.95 1pjr n LYS 132 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1pjr s ASN 133 N 1.07 2.85 -0.90 4.39 -0.87 -0.30 -5.06 114.94 116.12 1pjr s ASN 133 Ca 0.00 -1.75 -0.26 0.00 -1.57 0.00 0.00 52.86 49.28 1pjr s ASN 133 Cb 0.00 0.62 -0.14 0.00 -0.02 0.00 0.00 41.25 41.71 1pjr s ASN 133 CO 0.00 -1.01 2.24 -0.51 -2.57 0.00 0.00 177.10 175.25 1pjr s ILE 134 N -3.18 3.12 0.00 0.60 2.07 -1.26 -4.70 121.20 117.85 1pjr s ILE 134 Ca 0.23 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1pjr s ILE 134 Cb 0.01 -3.51 0.00 0.00 0.13 0.00 0.00 42.46 39.09 1pjr s ILE 134 CO 0.16 -0.23 0.00 -0.67 -1.91 0.00 0.00 174.94 172.29 1pjr n ASP 135 N 17.96 0.00 -0.10 4.50 2.03 -1.26 -3.36 116.55 136.32 1pjr n ASP 135 Ca 0.44 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.74 1pjr n ASP 135 Cb 0.45 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.08 1pjr n ASP 135 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1pjr h PRO 136 N 0.00 0.75 -4.20 -0.67 0.13 -1.92 0.17 132.00 126.26 1pjr h PRO 136 Ca 0.00 -0.14 -0.71 0.00 -0.87 0.00 0.00 66.00 64.28 1pjr h PRO 136 Cb 0.00 -0.12 -0.33 0.00 0.13 0.00 0.00 31.00 30.69 1pjr h PRO 136 CO 0.00 0.67 -0.42 0.15 -0.23 0.00 0.00 178.00 178.17 1pjr s LYS 137 N -5.21 2.36 0.00 0.86 1.02 -1.26 -4.23 119.74 113.28 1pjr s LYS 137 Ca -0.09 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 53.92 1pjr s LYS 137 Cb 0.16 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 1pjr s LYS 137 CO 0.79 -1.15 0.00 1.63 -0.92 0.00 0.00 175.35 175.70 1pjr n LYS 138 N 4.44 0.00 -2.53 1.68 5.02 -1.18 -4.92 118.16 120.67 1pjr n LYS 138 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 1pjr n LYS 138 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1pjr n LYS 138 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1pjr n PHE 139 N -1.30 3.31 -2.45 2.13 3.72 0.59 -4.96 117.46 118.50 1pjr n PHE 139 Ca 0.00 -3.02 -0.42 0.00 -0.05 0.00 0.00 57.45 53.96 1pjr n PHE 139 Cb 0.00 -0.78 -0.03 0.00 -0.94 0.00 0.00 39.48 37.73 1pjr n PHE 139 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1pjr s GLU 140 N -3.89 4.38 0.13 -1.08 -6.30 -1.20 -4.49 118.70 106.25 1pjr s GLU 140 Ca 0.46 1.70 -0.29 0.00 -2.50 0.00 0.00 54.97 54.35 1pjr s GLU 140 Cb 0.31 -3.49 -0.06 0.00 0.00 0.00 0.00 34.13 30.89 1pjr s GLU 140 CO -0.21 -0.38 1.59 -1.00 0.02 0.00 0.00 175.26 175.28 1pjr h PRO 141 N 7.26 -0.49 -0.74 4.30 0.13 -1.93 -2.05 132.00 138.47 1pjr h PRO 141 Ca -0.37 0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1pjr h PRO 141 Cb 1.18 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1pjr h PRO 141 CO 0.86 -0.33 0.49 0.00 -0.23 0.00 0.00 178.00 178.79 1pjr h ARG 142 N -0.51 0.91 -0.31 0.86 2.47 -1.93 -1.60 114.38 114.28 1pjr h ARG 142 Ca 0.07 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1pjr h ARG 142 Cb 0.62 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1pjr h ARG 142 CO -0.36 0.60 0.06 1.15 0.56 0.00 0.00 179.97 181.98 1pjr h THR 143 N 0.93 1.23 -0.06 2.04 2.02 -1.70 -2.89 112.91 114.49 1pjr h THR 143 Ca 0.29 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1pjr h THR 143 Cb 0.01 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1pjr h THR 143 CO -0.08 0.26 -0.00 0.40 0.37 0.00 0.00 175.52 176.47 1pjr h ILE 144 N 0.33 1.25 0.00 3.11 2.04 -0.58 -2.45 117.51 121.21 1pjr h ILE 144 Ca 0.09 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1pjr h ILE 144 Cb 0.33 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1pjr h ILE 144 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.37 1pjr n LEU 145 N -4.86 0.57 -0.06 1.44 -0.00 -0.77 -0.88 117.00 112.43 1pjr n LEU 145 Ca -0.07 0.64 -0.11 0.00 -0.00 0.00 0.00 56.01 56.46 1pjr n LEU 145 Cb 0.19 -0.55 -0.05 0.00 -0.00 0.00 0.00 43.42 43.00 1pjr n LEU 145 CO 0.34 -0.49 0.77 1.23 -0.00 0.00 0.00 177.39 179.24 1pjr h GLY 146 N 2.41 0.35 1.37 1.47 0.00 -1.27 0.07 103.07 107.47 1pjr h GLY 146 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1pjr h GLY 146 CO 0.00 0.22 0.05 -0.84 0.00 0.00 0.00 176.54 175.97 1pjr h THR 147 N 0.10 1.23 -0.07 4.70 2.02 -0.54 -2.16 112.91 118.18 1pjr h THR 147 Ca 0.06 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1pjr h THR 147 Cb 0.35 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1pjr h THR 147 CO 0.01 0.33 0.03 0.40 0.37 0.00 0.00 175.52 176.65 1pjr h ILE 148 N 0.73 1.13 -0.52 3.11 2.04 -1.22 -1.84 117.51 120.94 1pjr h ILE 148 Ca 0.15 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.72 1pjr h ILE 148 Cb 0.38 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1pjr h ILE 148 CO 0.01 0.11 0.18 -1.28 0.00 0.00 0.00 178.15 177.17 1pjr h SER 149 N -0.02 0.16 -0.04 1.72 0.87 -0.49 0.23 113.55 115.98 1pjr h SER 149 Ca 0.02 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1pjr h SER 149 Cb 0.14 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1pjr h SER 149 CO -0.00 0.12 -0.05 0.00 -0.53 0.00 0.00 176.83 176.36 1pjr h ALA 150 N 1.36 1.64 -0.13 6.23 0.00 -1.24 0.54 119.26 127.66 1pjr h ALA 150 Ca 0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1pjr h ALA 150 Cb 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1pjr h ALA 150 CO -0.27 0.27 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 1pjr h ALA 151 N 1.74 0.19 -0.60 0.00 0.00 -0.13 -2.51 119.26 117.94 1pjr h ALA 151 Ca 0.05 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1pjr h ALA 151 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1pjr h ALA 151 CO 0.01 0.05 0.08 0.87 0.00 0.00 0.00 179.25 180.26 1pjr h LYS 152 N -0.06 0.98 0.00 0.00 1.57 -0.66 0.32 116.57 118.72 1pjr h LYS 152 Ca 0.02 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1pjr h LYS 152 Cb 0.64 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1pjr h LYS 152 CO 0.03 0.92 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.87 1pjr h ASN 153 N 0.92 0.00 -0.65 0.86 2.35 -0.94 -0.18 115.58 117.95 1pjr h ASN 153 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1pjr h ASN 153 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1pjr h ASN 153 CO 0.01 0.05 0.00 -0.62 -1.65 0.00 0.00 177.43 175.22 1pjr n GLU 154 N -3.37 3.73 -3.88 0.81 -0.58 -0.42 -2.18 120.64 114.75 1pjr n GLU 154 Ca -0.02 -2.84 -0.27 0.00 -0.42 0.00 0.00 57.16 53.62 1pjr n GLU 154 Cb 0.19 -1.90 0.01 0.00 -0.57 0.00 0.00 31.44 29.18 1pjr n GLU 154 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1pjr n LEU 155 N 1.12 -2.59 -4.28 -4.62 4.77 -0.08 -4.88 117.00 106.43 1pjr n LEU 155 Ca 0.26 -0.86 -0.40 0.00 -0.03 0.00 0.00 56.01 54.97 1pjr n LEU 155 Cb 0.89 -2.48 -0.10 0.00 -2.33 0.00 0.00 43.42 39.40 1pjr n LEU 155 CO 0.24 0.42 -0.10 -0.22 -1.33 0.00 0.00 177.39 176.40 1pjr s LEU 156 N -7.02 5.14 0.68 2.23 2.96 -0.03 -4.99 118.68 117.65 1pjr s LEU 156 Ca 0.32 -1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 52.67 1pjr s LEU 156 Cb -0.17 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 1pjr s LEU 156 CO 0.84 -0.53 1.06 -2.16 -1.32 0.00 0.00 176.35 174.24 1pjr s PRO 157 N 1.45 3.06 0.27 0.98 0.04 -1.26 -4.09 135.00 135.45 1pjr s PRO 157 Ca 0.03 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 61.82 1pjr s PRO 157 Cb -0.23 -2.02 0.59 0.00 0.04 0.00 0.00 34.50 32.88 1pjr s PRO 157 CO 0.03 -0.96 1.62 -1.35 0.04 0.00 0.00 177.00 176.38 1pjr h PRO 158 N -0.61 0.11 -0.57 0.56 0.11 -1.96 -0.38 132.00 129.25 1pjr h PRO 158 Ca -0.44 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1pjr h PRO 158 Cb 1.22 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1pjr h PRO 158 CO 0.60 0.07 0.24 0.93 -0.21 0.00 0.00 178.00 179.63 1pjr h GLU 159 N 0.11 0.42 -0.13 1.05 4.39 -1.94 0.04 114.58 118.52 1pjr h GLU 159 Ca 0.50 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.94 1pjr h GLU 159 Cb 0.95 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1pjr h GLU 159 CO -0.73 0.28 -0.82 1.96 -1.16 0.00 0.00 179.01 178.54 1pjr h GLN 160 N 0.44 0.79 -0.15 2.33 1.08 -1.46 -3.30 115.11 114.84 1pjr h GLN 160 Ca 0.28 -0.67 -0.01 0.00 -1.45 0.00 0.00 58.65 56.80 1pjr h GLN 160 Cb 0.29 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1pjr h GLN 160 CO -0.26 1.27 0.08 0.35 -0.95 0.00 0.00 178.83 179.32 1pjr h PHE 161 N 0.53 0.22 0.00 2.96 3.57 -0.80 -2.79 116.94 120.63 1pjr h PHE 161 Ca -0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1pjr h PHE 161 Cb 1.46 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1pjr h PHE 161 CO 0.09 0.25 0.00 0.00 -2.23 0.00 0.00 178.31 176.42 1pjr n ALA 162 N -2.20 1.85 -2.27 2.41 0.00 -0.05 -2.10 120.51 118.15 1pjr n ALA 162 Ca -0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1pjr n ALA 162 Cb 0.09 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.44 1pjr n ALA 162 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pjr n LYS 163 N -0.91 2.93 -1.07 0.00 4.81 -1.05 -5.06 118.16 117.80 1pjr n LYS 163 Ca 0.06 -3.91 -0.05 0.00 -0.87 0.00 0.00 58.31 53.54 1pjr n LYS 163 Cb 0.03 -2.02 -0.05 0.00 0.02 0.00 0.00 35.03 33.01 1pjr n LYS 163 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1pjr n ARG 164 N -0.67 0.00 0.00 1.64 1.74 -0.89 -5.02 116.66 113.46 1pjr n ARG 164 Ca 0.31 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.25 1pjr n ARG 164 Cb 0.91 0.37 0.00 0.00 -1.02 0.00 0.00 32.46 32.73 1pjr n ARG 164 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1pjr n TYR 168 N 0.09 0.00 -0.12 -1.55 9.36 -1.26 -5.03 117.16 118.65 1pjr n TYR 168 Ca -0.20 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.01 1pjr n TYR 168 Cb 0.78 -0.49 -0.00 0.00 -0.63 0.00 0.00 39.34 39.00 1pjr n TYR 168 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1pjr n TYR 169 N -1.96 -0.04 0.33 2.98 9.36 -1.26 -0.77 117.16 125.80 1pjr n TYR 169 Ca 0.00 0.37 0.18 0.00 3.32 0.00 0.00 57.90 61.76 1pjr n TYR 169 Cb 0.00 -0.58 0.94 0.00 -0.63 0.00 0.00 39.34 39.07 1pjr n TYR 169 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1pjr h GLU 170 N 0.00 0.00 0.09 2.98 5.08 -1.99 -1.56 114.58 119.18 1pjr h GLU 170 Ca 0.08 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1pjr h GLU 170 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1pjr h GLU 170 CO -0.29 0.00 -0.77 -0.22 -1.00 0.00 0.00 179.01 176.73 1pjr h LYS 171 N 0.00 0.19 -0.11 2.33 1.63 -1.36 0.71 116.57 119.97 1pjr h LYS 171 Ca 0.00 -0.33 0.03 0.00 -0.85 0.00 0.00 60.65 59.50 1pjr h LYS 171 Cb 0.43 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1pjr h LYS 171 CO 0.00 1.16 0.08 0.28 -3.45 0.00 0.00 179.45 177.52 1pjr h VAL 172 N -0.55 0.93 -0.03 2.00 2.07 -1.47 0.26 116.25 119.46 1pjr h VAL 172 Ca -0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1pjr h VAL 172 Cb 1.49 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1pjr h VAL 172 CO 0.07 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 178.17 1pjr h VAL 173 N 0.00 1.46 0.00 2.57 2.07 -1.33 0.56 116.25 121.58 1pjr h VAL 173 Ca 0.05 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1pjr h VAL 173 Cb 0.21 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1pjr h VAL 173 CO -0.00 0.39 0.00 -1.54 0.02 0.00 0.00 177.57 176.44 1pjr n SER 174 N -4.72 0.00 -0.06 0.57 3.41 0.24 0.03 113.62 113.10 1pjr n SER 174 Ca -0.08 0.12 -0.06 0.00 -0.26 0.00 0.00 58.87 58.58 1pjr n SER 174 Cb 0.34 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1pjr n SER 174 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1pjr h ASP 175 N 0.00 0.00 0.76 4.04 1.82 -0.49 -2.37 116.42 120.17 1pjr h ASP 175 Ca 0.00 -0.44 -0.04 0.00 -0.39 0.00 0.00 57.03 56.15 1pjr h ASP 175 Cb 0.17 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1pjr h ASP 175 CO 0.00 0.74 -0.21 1.62 -1.61 0.00 0.00 179.24 179.78 1pjr h VAL 176 N -1.00 0.58 -0.06 2.25 3.04 -0.20 -2.42 116.25 118.44 1pjr h VAL 176 Ca -0.01 -0.99 -0.06 0.00 -1.01 0.00 0.00 66.70 64.64 1pjr h VAL 176 Cb 0.46 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1pjr h VAL 176 CO -0.00 0.20 -0.19 0.22 -1.01 0.00 0.00 177.57 176.79 1pjr h TYR 177 N 0.00 0.31 -0.37 3.17 3.20 -0.49 -0.69 116.97 122.10 1pjr h TYR 177 Ca -0.00 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.79 1pjr h TYR 177 Cb 0.64 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 1pjr h TYR 177 CO 0.00 0.80 0.10 0.37 -1.64 0.00 0.00 178.16 177.79 1pjr h GLN 178 N -0.27 0.23 -0.30 1.82 5.75 -1.34 -1.70 115.11 119.30 1pjr h GLN 178 Ca -0.01 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 1pjr h GLN 178 Cb 0.81 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 1pjr h GLN 178 CO 0.04 0.15 -0.31 1.49 -2.65 0.00 0.00 178.83 177.55 1pjr h GLU 179 N 0.24 0.74 -0.75 1.69 4.57 -1.46 -2.92 114.58 116.69 1pjr h GLU 179 Ca 0.17 -0.39 0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1pjr h GLU 179 Cb 0.17 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.70 1pjr h GLU 179 CO -0.20 1.01 0.37 -0.92 -1.18 0.00 0.00 179.01 178.10 1pjr h TYR 180 N 0.49 0.66 -0.29 0.92 3.20 -0.76 0.31 116.97 121.50 1pjr h TYR 180 Ca 0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1pjr h TYR 180 Cb 0.88 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1pjr h TYR 180 CO 0.07 0.21 0.17 1.96 -1.64 0.00 0.00 178.16 178.93 1pjr h GLN 181 N 0.60 0.40 -0.50 1.82 1.08 -1.28 -2.09 115.11 115.14 1pjr h GLN 181 Ca 0.38 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.57 1pjr h GLN 181 Cb 0.44 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 1pjr h GLN 181 CO -0.30 0.34 0.27 1.96 -0.95 0.00 0.00 178.83 180.15 1pjr h GLN 182 N 0.36 0.52 -0.67 1.46 1.08 -0.99 -0.33 115.11 116.54 1pjr h GLN 182 Ca 0.10 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1pjr h GLN 182 Cb 0.04 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1pjr h GLN 182 CO -0.02 0.34 0.38 -0.09 -0.95 0.00 0.00 178.83 178.50 1pjr h ARG 183 N 0.53 0.91 -0.36 1.46 9.65 -0.84 -1.35 114.38 124.38 1pjr h ARG 183 Ca 0.21 -0.09 -0.11 0.00 -1.10 0.00 0.00 59.98 58.89 1pjr h ARG 183 Cb 0.09 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 1pjr h ARG 183 CO -0.13 0.65 -0.22 -0.07 2.80 0.00 0.00 179.97 183.01 1pjr h LEU 184 N 0.92 0.81 0.04 3.80 4.07 -0.45 -2.97 115.31 121.54 1pjr h LEU 184 Ca 0.24 -0.42 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 1pjr h LEU 184 Cb -0.01 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.51 1pjr h LEU 184 CO -0.04 1.06 -0.02 0.25 -1.08 0.00 0.00 178.44 178.60 1pjr h LEU 185 N 0.57 -0.05 -0.90 1.67 5.85 -0.74 -0.73 115.31 120.97 1pjr h LEU 185 Ca 0.07 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1pjr h LEU 185 Cb 0.77 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 1pjr h LEU 185 CO 0.06 0.03 0.52 0.03 -0.34 0.00 0.00 178.44 178.74 1pjr h ARG 186 N -0.13 0.75 -0.54 1.25 3.08 -1.30 -0.31 114.38 117.19 1pjr h ARG 186 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1pjr h ARG 186 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1pjr h ARG 186 CO 0.01 0.50 0.00 0.09 -1.07 0.00 0.00 179.97 179.50 1pjr n ASN 187 N -4.76 2.92 -3.72 7.04 3.02 -1.03 -4.95 115.26 113.77 1pjr n ASN 187 Ca 0.18 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.40 1pjr n ASN 187 Cb 0.40 -0.36 0.04 0.00 -0.61 0.00 0.00 39.78 39.25 1pjr n ASN 187 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1pjr n HIS 188 N 1.10 -1.86 -4.48 3.10 8.25 -0.13 -4.85 115.22 116.35 1pjr n HIS 188 Ca 0.18 0.43 -0.22 0.00 -0.26 0.00 0.00 57.72 57.85 1pjr n HIS 188 Cb 0.46 -3.40 -0.14 0.00 1.12 0.00 0.00 29.99 28.04 1pjr n HIS 188 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1pjr s SER 189 N -3.51 1.85 0.01 0.41 0.01 -0.37 -2.34 113.70 109.77 1pjr s SER 189 Ca 0.46 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.34 1pjr s SER 189 Cb -0.17 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 1pjr s SER 189 CO 0.87 0.09 -0.16 -0.76 0.41 0.00 0.00 173.24 173.69 1pjr s LEU 190 N -1.00 2.09 0.00 2.44 1.43 -0.17 -4.35 118.68 119.13 1pjr s LEU 190 Ca 0.04 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1pjr s LEU 190 Cb -0.08 -0.79 0.08 0.00 0.03 0.00 0.00 46.19 45.44 1pjr s LEU 190 CO 0.01 0.14 0.54 -0.90 0.23 0.00 0.00 176.35 176.37 1pjr n ASP 191 N 2.31 0.67 -0.04 2.29 5.68 -1.26 -0.60 116.55 125.59 1pjr n ASP 191 Ca -0.16 -1.57 -0.06 0.00 -0.50 0.00 0.00 54.79 52.50 1pjr n ASP 191 Cb 0.54 -0.35 0.14 0.00 -1.14 0.00 0.00 41.12 40.31 1pjr n ASP 191 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1pjr h PHE 192 N -0.56 0.72 0.00 2.11 0.04 -1.97 -2.67 116.94 114.62 1pjr h PHE 192 Ca -0.18 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.42 1pjr h PHE 192 Cb 0.64 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 1pjr h PHE 192 CO 0.00 0.82 -0.07 -0.44 -0.60 0.00 0.00 178.31 178.02 1pjr h ASP 193 N 0.57 0.00 0.65 2.17 3.32 -1.97 -2.92 116.42 118.24 1pjr h ASP 193 Ca 0.08 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1pjr h ASP 193 Cb 0.69 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1pjr h ASP 193 CO 0.05 0.07 -0.55 0.44 -1.72 0.00 0.00 179.24 177.53 1pjr h ASP 194 N 0.00 0.00 -1.00 6.45 3.32 -1.85 -3.24 116.42 120.10 1pjr h ASP 194 Ca -0.00 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.22 1pjr h ASP 194 Cb 0.73 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.18 1pjr h ASP 194 CO 0.01 0.55 0.62 -0.07 -1.72 0.00 0.00 179.24 178.62 1pjr h LEU 195 N 0.00 0.82 0.22 1.55 3.38 -1.51 0.26 115.31 120.03 1pjr h LEU 195 Ca -0.01 0.08 -0.35 0.00 0.09 0.00 0.00 57.88 57.70 1pjr h LEU 195 Cb 1.02 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.72 1pjr h LEU 195 CO 0.07 0.34 -1.65 0.40 0.09 0.00 0.00 178.44 177.69 1pjr h ILE 196 N 0.83 1.07 -0.54 1.22 2.04 -1.76 -3.13 117.51 117.24 1pjr h ILE 196 Ca 0.55 -2.58 -0.07 0.00 1.00 0.00 0.00 64.86 63.76 1pjr h ILE 196 Cb 0.78 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.71 1pjr h ILE 196 CO -0.34 0.84 0.08 -0.03 0.00 0.00 0.00 178.15 178.70 1pjr h MET 197 N 0.12 0.89 -0.30 2.37 4.05 -1.50 -1.89 114.93 118.68 1pjr h MET 197 Ca -0.31 -0.24 -0.12 0.00 -0.28 0.00 0.00 59.70 58.74 1pjr h MET 197 Cb 2.13 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 32.82 1pjr h MET 197 CO 0.22 0.87 -0.31 1.15 0.23 0.00 0.00 176.91 179.07 1pjr h THR 198 N 0.78 1.28 0.00 -0.77 2.02 -0.62 -1.40 112.91 114.19 1pjr h THR 198 Ca 0.16 -1.42 -0.09 0.00 0.77 0.00 0.00 66.41 65.83 1pjr h THR 198 Cb 0.42 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1pjr h THR 198 CO 0.01 0.46 -0.44 0.71 0.37 0.00 0.00 175.52 176.63 1pjr h THR 199 N 0.54 0.97 -0.41 3.16 1.35 -1.45 0.38 112.91 117.46 1pjr h THR 199 Ca 0.06 -1.73 -0.08 0.00 -0.55 0.00 0.00 66.41 64.11 1pjr h THR 199 Cb 0.79 2.04 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 1pjr h THR 199 CO 0.07 0.43 -0.09 0.40 -0.25 0.00 0.00 175.52 176.07 1pjr h ILE 200 N 0.00 1.25 -0.53 6.82 2.04 -1.01 -1.52 117.51 124.56 1pjr h ILE 200 Ca -0.00 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.70 1pjr h ILE 200 Cb 1.00 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1pjr h ILE 200 CO 0.06 0.37 0.09 1.56 0.00 0.00 0.00 178.15 180.23 1pjr h GLN 201 N 0.65 0.87 0.29 2.37 4.20 -0.62 -1.67 115.11 121.20 1pjr h GLN 201 Ca 0.12 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1pjr h GLN 201 Cb 0.54 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1pjr h GLN 201 CO 0.03 0.85 -0.32 1.25 -0.67 0.00 0.00 178.83 179.98 1pjr h LEU 202 N 0.76 -0.86 -0.96 1.46 5.85 -0.78 -0.17 115.31 120.60 1pjr h LEU 202 Ca 0.16 0.08 0.15 0.00 0.84 0.00 0.00 57.88 59.11 1pjr h LEU 202 Cb 0.40 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 41.63 1pjr h LEU 202 CO 0.01 -0.45 0.57 -0.26 -0.34 0.00 0.00 178.44 177.98 1pjr h PHE 203 N -0.65 1.02 0.00 1.25 0.04 -1.16 0.09 116.94 117.54 1pjr h PHE 203 Ca -0.01 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.62 1pjr h PHE 203 Cb 0.60 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1pjr h PHE 203 CO -0.20 0.30 -0.81 -0.44 -0.60 0.00 0.00 178.31 176.56 1pjr h ASP 204 N 0.81 0.00 0.46 2.17 3.32 -1.22 -3.28 116.42 118.68 1pjr h ASP 204 Ca 0.52 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.27 1pjr h ASP 204 Cb 0.68 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1pjr h ASP 204 CO -0.33 0.81 -1.65 0.03 -1.72 0.00 0.00 179.24 176.38 1pjr h ARG 205 N 0.00 0.12 -2.96 3.56 3.08 -0.48 -3.41 114.38 114.30 1pjr h ARG 205 Ca -0.01 -0.21 -0.61 0.00 0.07 0.00 0.00 59.98 59.23 1pjr h ARG 205 Cb 1.58 0.08 -0.40 0.00 0.08 0.00 0.00 29.97 31.30 1pjr h ARG 205 CO 0.11 0.85 -0.74 0.54 -1.07 0.00 0.00 179.97 179.65 1pjr s VAL 206 N -2.61 1.36 0.57 2.04 0.11 -0.03 -5.01 120.40 116.83 1pjr s VAL 206 Ca -0.09 -2.56 0.27 0.00 -2.93 0.00 0.00 61.98 56.67 1pjr s VAL 206 Cb 0.08 -1.95 0.36 0.00 -1.53 0.00 0.00 36.38 33.33 1pjr s VAL 206 CO 0.82 -0.91 2.09 -0.65 -3.33 0.00 0.00 175.10 173.12 1pjr h PRO 207 N 6.68 0.00 0.00 1.54 0.11 -1.79 -1.72 132.00 136.82 1pjr h PRO 207 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pjr h PRO 207 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1pjr h PRO 207 CO 0.48 0.00 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.82 1pjr h ASP 208 N 0.00 0.00 0.18 -2.05 3.32 -1.95 -1.42 116.42 114.50 1pjr h ASP 208 Ca 0.11 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.85 1pjr h ASP 208 Cb 0.53 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.12 1pjr h ASP 208 CO -0.00 0.01 -1.31 0.58 -1.72 0.00 0.00 179.24 176.79 1pjr h VAL 209 N 0.00 1.30 0.43 -1.35 2.07 -1.65 -2.77 116.25 114.28 1pjr h VAL 209 Ca -0.00 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 64.95 1pjr h VAL 209 Cb 0.05 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1pjr h VAL 209 CO 0.00 0.77 -0.31 0.25 0.02 0.00 0.00 177.57 178.30 1pjr h LEU 210 N 0.16 -0.80 -1.66 2.57 5.85 -1.60 -2.62 115.31 117.21 1pjr h LEU 210 Ca -0.22 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.66 1pjr h LEU 210 Cb 2.00 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 43.25 1pjr h LEU 210 CO 0.25 -0.47 0.40 0.45 -0.34 0.00 0.00 178.44 178.72 1pjr h HIS 211 N -0.73 0.41 -0.13 1.25 3.86 -1.38 0.14 115.15 118.57 1pjr h HIS 211 Ca -0.04 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1pjr h HIS 211 Cb 0.62 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1pjr h HIS 211 CO -0.13 0.19 0.07 -0.92 0.86 0.00 0.00 177.93 178.00 1pjr h TYR 212 N 0.38 0.18 -0.03 2.45 3.20 -1.17 -2.69 116.97 119.29 1pjr h TYR 212 Ca 0.27 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.98 1pjr h TYR 212 Cb 0.56 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1pjr h TYR 212 CO -0.00 0.20 -0.69 1.88 -1.64 0.00 0.00 178.16 177.91 1pjr h TYR 213 N 0.10 0.23 -0.63 -3.82 0.05 -0.51 -1.70 116.97 110.70 1pjr h TYR 213 Ca 0.04 -0.10 0.04 0.00 0.05 0.00 0.00 58.73 58.76 1pjr h TYR 213 Cb 0.08 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 1pjr h TYR 213 CO -0.04 0.81 0.41 1.96 -1.05 0.00 0.00 178.16 180.25 1pjr h GLN 214 N 0.12 0.70 0.02 4.88 4.20 -1.00 -1.30 115.11 122.71 1pjr h GLN 214 Ca -0.02 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.42 1pjr h GLN 214 Cb 1.23 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 1pjr h GLN 214 CO 0.10 0.46 -1.15 1.88 -0.67 0.00 0.00 178.83 179.46 1pjr h TYR 215 N 0.72 0.07 0.28 2.96 -1.99 -1.19 -3.38 116.97 114.44 1pjr h TYR 215 Ca 0.25 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 1pjr h TYR 215 Cb 0.12 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1pjr h TYR 215 CO -0.00 1.04 -0.14 -0.22 -0.00 0.00 0.00 178.16 178.85 1pjr h LYS 216 N 0.01 -0.37 -5.55 4.88 3.64 -1.04 -3.39 116.57 114.76 1pjr h LYS 216 Ca -0.07 0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.68 1pjr h LYS 216 Cb 1.83 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 33.60 1pjr h LYS 216 CO 0.13 -0.02 1.30 -0.06 -2.27 0.00 0.00 179.45 178.53 1pjr s PHE 217 N -4.13 2.87 0.01 1.91 0.08 -0.52 -4.18 117.98 114.03 1pjr s PHE 217 Ca -0.13 -1.24 0.10 0.00 0.12 0.00 0.00 56.93 55.78 1pjr s PHE 217 Cb 0.01 -4.51 -0.15 0.00 -0.57 0.00 0.00 43.02 37.81 1pjr s PHE 217 CO 0.49 -1.71 1.18 1.96 -0.10 0.00 0.00 175.22 177.05 1pjr h GLN 218 N 8.98 0.00 -4.42 0.44 4.20 -0.97 -3.42 115.11 119.92 1pjr h GLN 218 Ca 0.22 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.30 1pjr h GLN 218 Cb 0.99 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 28.39 1pjr h GLN 218 CO 1.29 0.75 -0.77 0.71 -0.67 0.00 0.00 178.83 180.14 1pjr s TYR 219 N -2.77 2.72 0.01 2.96 2.02 -0.93 -4.32 117.35 117.05 1pjr s TYR 219 Ca 0.00 -2.08 -0.14 0.00 -0.37 0.00 0.00 57.07 54.49 1pjr s TYR 219 Cb 0.09 -1.90 -0.06 0.00 -0.40 0.00 0.00 41.96 39.70 1pjr s TYR 219 CO 0.80 -0.84 0.40 0.42 -1.57 0.00 0.00 175.55 174.77 1pjr s ILE 220 N 1.28 5.05 -0.05 2.71 -1.09 -0.37 -1.13 121.20 127.59 1pjr s ILE 220 Ca -0.02 0.76 0.01 0.00 -2.23 0.00 0.00 60.65 59.17 1pjr s ILE 220 Cb -0.19 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1pjr s ILE 220 CO -0.08 0.53 -0.04 -1.00 -1.23 0.00 0.00 174.94 173.12 1pjr s HIS 221 N -1.13 0.80 -0.13 3.97 3.76 0.15 -1.58 115.29 121.14 1pjr s HIS 221 Ca 0.25 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 1pjr s HIS 221 Cb -0.16 -0.73 0.02 0.00 1.11 0.00 0.00 32.58 32.82 1pjr s HIS 221 CO 0.14 -0.23 -0.12 -1.50 -0.85 0.00 0.00 174.74 172.17 1pjr s ILE 222 N 1.10 1.38 0.59 0.60 1.10 -0.59 -0.03 121.20 125.35 1pjr s ILE 222 Ca -0.08 -0.53 -0.04 0.00 -0.51 0.00 0.00 60.65 59.49 1pjr s ILE 222 Cb -0.14 -1.31 0.02 0.00 0.15 0.00 0.00 42.46 41.18 1pjr s ILE 222 CO -0.01 0.43 0.88 -0.62 -2.11 0.00 0.00 174.94 173.50 1pjr s ASP 223 N 1.44 5.45 -1.61 4.50 2.15 -0.19 -1.59 116.67 126.82 1pjr s ASP 223 Ca 0.02 0.53 -0.09 0.00 0.43 0.00 0.00 52.55 53.45 1pjr s ASP 223 Cb -0.13 -1.48 0.08 0.00 -0.30 0.00 0.00 42.92 41.09 1pjr s ASP 223 CO -0.08 -1.12 0.41 -0.62 -0.17 0.00 0.00 175.17 173.59 1pjr n GLU 224 N -2.55 -2.10 0.33 4.34 -0.58 -1.08 -4.77 120.64 114.24 1pjr n GLU 224 Ca 0.05 0.25 0.22 0.00 -0.42 0.00 0.00 57.16 57.27 1pjr n GLU 224 Cb 0.58 -4.42 1.19 0.00 -0.57 0.00 0.00 31.44 28.23 1pjr n GLU 224 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1pjr h TYR 225 N -1.57 0.00 0.00 -0.32 3.20 -1.01 -0.72 116.97 116.55 1pjr h TYR 225 Ca -0.62 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.25 1pjr h TYR 225 Cb 1.39 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.66 1pjr h TYR 225 CO 0.57 0.00 0.00 -0.56 -1.64 0.00 0.00 178.16 176.53 1pjr h GLN 226 N 0.00 0.00 -0.31 1.82 -0.00 -1.86 -3.12 115.11 111.63 1pjr h GLN 226 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1pjr h GLN 226 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1pjr h GLN 226 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 178.83 178.58 1pjr n ASP 227 N -2.41 2.26 -4.75 0.06 8.00 -0.28 -4.40 116.55 115.02 1pjr n ASP 227 Ca 0.04 -1.87 -0.41 0.00 0.71 0.00 0.00 54.79 53.26 1pjr n ASP 227 Cb 0.34 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 1pjr n ASP 227 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1pjr s THR 228 N -1.59 3.57 0.52 -3.53 -1.32 -1.18 -4.49 115.64 107.62 1pjr s THR 228 Ca 0.32 1.47 0.08 0.00 -1.21 0.00 0.00 61.69 62.35 1pjr s THR 228 Cb 0.18 -3.93 0.05 0.00 -1.51 0.00 0.00 72.50 67.28 1pjr s THR 228 CO 0.25 0.30 0.61 0.54 -2.21 0.00 0.00 174.62 174.11 1pjr s ASN 229 N -0.47 5.08 0.31 8.08 2.20 -1.26 -1.34 114.94 127.54 1pjr s ASN 229 Ca 0.48 -0.85 0.01 0.00 -0.94 0.00 0.00 52.86 51.55 1pjr s ASN 229 Cb -0.32 0.04 0.54 0.00 -2.00 0.00 0.00 41.25 39.51 1pjr s ASN 229 CO 0.39 -1.09 1.93 -0.09 -2.94 0.00 0.00 177.10 175.29 1pjr h ARG 230 N 0.51 0.99 0.52 3.55 9.65 -1.79 -1.20 114.38 126.61 1pjr h ARG 230 Ca -0.35 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.45 1pjr h ARG 230 Cb 1.29 -0.22 0.01 0.00 -1.39 0.00 0.00 29.97 29.65 1pjr h ARG 230 CO 0.48 0.65 -0.25 0.00 2.80 0.00 0.00 179.97 183.65 1pjr h ALA 231 N 1.51 -0.70 -0.75 2.80 0.00 -1.75 -1.39 119.26 118.99 1pjr h ALA 231 Ca 0.37 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1pjr h ALA 231 Cb 0.15 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1pjr h ALA 231 CO -0.13 -0.85 0.47 1.96 0.00 0.00 0.00 179.25 180.70 1pjr h GLN 232 N -0.79 0.90 -0.14 0.00 4.20 -1.83 -1.70 115.11 115.74 1pjr h GLN 232 Ca -0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1pjr h GLN 232 Cb 0.58 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1pjr h GLN 232 CO 0.12 0.59 0.06 -0.92 -0.67 0.00 0.00 178.83 178.01 1pjr h TYR 233 N 0.92 0.21 -0.38 2.96 3.20 -1.17 -2.09 116.97 120.63 1pjr h TYR 233 Ca 0.30 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 1pjr h TYR 233 Cb 0.02 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1pjr h TYR 233 CO -0.04 0.29 -0.03 1.15 -1.64 0.00 0.00 178.16 177.89 1pjr h THR 234 N 0.08 1.22 0.10 1.81 2.02 -0.97 -1.75 112.91 115.42 1pjr h THR 234 Ca 0.05 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1pjr h THR 234 Cb 0.16 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1pjr h THR 234 CO -0.00 0.32 -0.05 0.25 0.37 0.00 0.00 175.52 176.40 1pjr h LEU 235 N 0.58 -0.11 -1.19 2.58 5.85 -1.13 -1.00 115.31 120.89 1pjr h LEU 235 Ca 0.12 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1pjr h LEU 235 Cb 0.41 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1pjr h LEU 235 CO 0.02 -0.07 0.02 0.58 -0.34 0.00 0.00 178.44 178.65 1pjr h VAL 236 N -0.15 1.20 -0.38 1.05 2.07 -1.23 -2.52 116.25 116.29 1pjr h VAL 236 Ca -0.01 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1pjr h VAL 236 Cb 0.12 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1pjr h VAL 236 CO 0.02 0.28 0.00 0.50 0.02 0.00 0.00 177.57 178.39 1pjr h LYS 237 N 0.56 0.67 -0.47 1.57 3.64 -1.03 -0.39 116.57 121.12 1pjr h LYS 237 Ca 0.12 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1pjr h LYS 237 Cb 0.33 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1pjr h LYS 237 CO 0.01 0.77 -0.04 0.87 -2.27 0.00 0.00 179.45 178.79 1pjr h LYS 238 N 0.49 0.80 0.10 1.90 1.57 -0.96 -1.73 116.57 118.74 1pjr h LYS 238 Ca 0.11 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1pjr h LYS 238 Cb 0.47 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1pjr h LYS 238 CO 0.02 0.83 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.61 1pjr h LEU 239 N 0.73 -0.11 -1.30 2.94 3.38 -1.28 -3.28 115.31 116.40 1pjr h LEU 239 Ca 0.14 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1pjr h LEU 239 Cb 0.50 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1pjr h LEU 239 CO 0.03 0.25 -0.06 0.00 0.09 0.00 0.00 178.44 178.75 1pjr h ALA 240 N 0.35 1.01 -1.67 1.53 0.00 -1.02 -3.36 119.26 116.10 1pjr h ALA 240 Ca -0.01 -0.05 0.52 0.00 0.00 0.00 0.00 54.91 55.36 1pjr h ALA 240 Cb 0.41 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1pjr h ALA 240 CO 0.02 0.08 1.15 -1.91 0.00 0.00 0.00 179.25 178.59 1pjr n GLU 241 N -3.18 -0.02 -0.12 0.00 2.13 -0.66 -0.84 120.64 117.96 1pjr n GLU 241 Ca 0.01 1.12 -0.18 0.00 0.66 0.00 0.00 57.16 58.77 1pjr n GLU 241 Cb 0.35 -2.41 -0.11 0.00 0.27 0.00 0.00 31.44 29.53 1pjr n GLU 241 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1pjr n ARG 242 N -4.21 0.61 0.01 5.31 1.85 -1.26 -4.61 116.66 114.36 1pjr n ARG 242 Ca 0.41 0.15 -0.21 0.00 -1.00 0.00 0.00 57.85 57.20 1pjr n ARG 242 Cb 1.77 -1.49 -0.14 0.00 -1.05 0.00 0.00 32.46 31.55 1pjr n ARG 242 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1pjr h PHE 243 N -0.08 0.44 -1.46 2.89 0.04 -1.84 -3.49 116.94 113.46 1pjr h PHE 243 Ca -0.56 -0.32 -0.21 0.00 2.80 0.00 0.00 57.97 59.68 1pjr h PHE 243 Cb 1.83 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.95 1pjr h PHE 243 CO 0.02 1.57 -0.27 1.04 -0.60 0.00 0.00 178.31 180.08 1pjr n GLN 244 N -3.89 -0.84 -2.50 1.51 6.02 -0.02 -4.89 117.38 112.77 1pjr n GLN 244 Ca -0.26 0.53 -0.43 0.00 -0.01 0.00 0.00 57.00 56.83 1pjr n GLN 244 Cb 0.91 -4.61 0.00 0.00 1.02 0.00 0.00 30.24 27.57 1pjr n GLN 244 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pjr n ASN 245 N -0.00 5.20 -4.39 1.08 3.02 -1.26 -2.31 115.26 116.60 1pjr n ASN 245 Ca -0.12 -3.10 -0.34 0.00 -0.03 0.00 0.00 54.58 50.98 1pjr n ASN 245 Cb 0.58 -1.48 -0.13 0.00 -0.61 0.00 0.00 39.78 38.14 1pjr n ASN 245 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1pjr s ILE 246 N 0.39 3.51 -0.21 2.41 2.07 -1.24 -1.24 121.20 126.89 1pjr s ILE 246 Ca 0.40 -0.47 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1pjr s ILE 246 Cb 0.07 -2.55 0.03 0.00 0.13 0.00 0.00 42.46 40.14 1pjr s ILE 246 CO 0.01 0.47 -0.15 0.00 -1.91 0.00 0.00 174.94 173.35 1pjr s ALA 248 N 1.26 3.14 -0.10 0.00 0.00 -0.50 -1.55 121.76 124.02 1pjr s ALA 248 Ca 0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1pjr s ALA 248 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1pjr s ALA 248 CO -0.10 -0.04 -0.02 0.08 0.00 0.00 0.00 175.76 175.69 1pjr s VAL 249 N 0.79 4.13 0.00 0.00 1.01 -0.62 -0.43 120.40 125.29 1pjr s VAL 249 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1pjr s VAL 249 Cb -0.14 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1pjr s VAL 249 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1pjr n GLY 250 N 2.51 0.49 2.65 4.51 0.00 -0.90 -0.50 105.19 113.95 1pjr n GLY 250 Ca -0.18 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 1pjr n GLY 250 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pjr s ASP 251 N 0.00 2.36 0.52 1.61 -1.08 -1.26 -1.21 116.67 117.60 1pjr s ASP 251 Ca 0.00 -0.59 0.17 0.00 -0.52 0.00 0.00 52.55 51.62 1pjr s ASP 251 Cb 0.00 -0.33 1.30 0.00 -1.46 0.00 0.00 42.92 42.43 1pjr s ASP 251 CO 0.00 -0.33 2.14 0.00 0.52 0.00 0.00 175.17 177.50 1pjr h ALA 252 N 8.38 1.90 0.00 3.66 0.00 -1.96 -2.29 119.26 128.94 1pjr h ALA 252 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pjr h ALA 252 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pjr h ALA 252 CO 0.29 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 1pjr n ASP 253 N -4.42 0.00 -0.55 0.00 8.00 -1.26 -2.48 116.55 115.83 1pjr n ASP 253 Ca -0.03 0.02 0.06 0.00 0.71 0.00 0.00 54.79 55.55 1pjr n ASP 253 Cb 0.11 -0.29 0.09 0.00 -0.02 0.00 0.00 41.12 41.00 1pjr n ASP 253 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pjr n GLN 254 N -1.29 1.33 -2.49 -1.24 6.02 -0.86 -4.67 117.38 114.17 1pjr n GLN 254 Ca 0.09 -1.49 -0.43 0.00 -0.01 0.00 0.00 57.00 55.17 1pjr n GLN 254 Cb 0.16 -1.25 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 1pjr n GLN 254 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1pjr s SER 255 N -1.02 6.86 -0.11 1.08 1.04 -1.03 -4.82 113.70 115.69 1pjr s SER 255 Ca 0.18 1.35 0.16 0.00 0.48 0.00 0.00 55.95 58.12 1pjr s SER 255 Cb 0.11 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 63.95 1pjr s SER 255 CO 0.16 -0.89 1.13 2.30 0.98 0.00 0.00 173.24 176.92 1pjr n ILE 256 N 5.76 1.62 -1.65 -1.02 -5.35 -1.26 -4.84 119.36 112.62 1pjr n ILE 256 Ca 0.14 -1.99 -0.09 0.00 -0.27 0.00 0.00 62.75 60.53 1pjr n ILE 256 Cb 0.46 -0.12 0.14 0.00 -1.74 0.00 0.00 39.64 38.38 1pjr n ILE 256 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1pjr n TYR 257 N -1.19 1.41 -0.25 4.28 4.01 -1.26 -4.78 117.16 119.38 1pjr n TYR 257 Ca 0.14 -1.86 0.05 0.00 -0.16 0.00 0.00 57.90 56.06 1pjr n TYR 257 Cb 0.66 -0.45 0.28 0.00 -0.31 0.00 0.00 39.34 39.52 1pjr n TYR 257 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1pjr h ARG 258 N 1.41 0.90 0.00 -0.72 2.43 -1.88 0.08 114.38 116.59 1pjr h ARG 258 Ca 0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1pjr h ARG 258 Cb 1.38 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1pjr h ARG 258 CO 0.47 0.59 0.08 0.11 -1.51 0.00 0.00 179.97 179.72 1pjr h TRP 259 N 0.93 0.00 -0.70 2.20 5.08 -1.89 -1.70 115.95 119.86 1pjr h TRP 259 Ca 0.35 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.32 1pjr h TRP 259 Cb 0.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.35 1pjr h TRP 259 CO -0.00 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 177.70 1pjr n ARG 260 N -3.02 3.24 -0.26 0.12 1.74 0.00 -4.94 116.66 113.55 1pjr n ARG 260 Ca -0.03 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.28 1pjr n ARG 260 Cb 0.15 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1pjr n ARG 260 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pjr n GLY 261 N 1.42 0.68 3.76 -0.13 0.00 -0.64 -5.00 105.19 105.27 1pjr n GLY 261 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1pjr n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjr s ALA 262 N -2.42 3.59 -0.23 4.61 0.00 -1.13 -4.33 121.76 121.84 1pjr s ALA 262 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1pjr s ALA 262 Cb 0.00 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1pjr s ALA 262 CO 0.00 -0.75 -0.11 0.34 0.00 0.00 0.00 175.76 175.23 1pjr s ASP 263 N 0.07 4.03 0.46 0.00 -1.08 -0.45 -4.45 116.67 115.24 1pjr s ASP 263 Ca 0.56 -0.95 0.26 0.00 -0.52 0.00 0.00 52.55 51.89 1pjr s ASP 263 Cb -0.42 -1.58 0.93 0.00 -1.46 0.00 0.00 42.92 40.38 1pjr s ASP 263 CO 0.48 -0.11 1.82 -0.29 0.52 0.00 0.00 175.17 177.60 1pjr h ILE 264 N 6.25 0.41 0.00 4.11 2.10 -1.85 -2.98 117.51 125.54 1pjr h ILE 264 Ca -0.33 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 64.57 1pjr h ILE 264 Cb 1.10 1.76 0.00 0.00 -1.09 0.00 0.00 36.82 38.59 1pjr h ILE 264 CO 0.56 0.17 0.00 0.00 -1.08 0.00 0.00 178.15 177.80 1pjr n GLN 265 N -3.29 0.13 -0.03 2.19 3.00 -1.26 -2.98 117.38 115.14 1pjr n GLN 265 Ca 0.01 0.45 -0.13 0.00 -0.01 0.00 0.00 57.00 57.31 1pjr n GLN 265 Cb 0.43 -1.80 -0.10 0.00 0.00 0.00 0.00 30.24 28.77 1pjr n GLN 265 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1pjr h ASN 266 N 0.00 0.08 0.04 1.08 -0.26 -1.88 -1.46 115.58 113.18 1pjr h ASN 266 Ca 0.00 -0.57 -0.05 0.00 -0.56 0.00 0.00 56.30 55.13 1pjr h ASN 266 Cb 0.24 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 1pjr h ASN 266 CO 0.00 0.63 -0.13 -0.29 -1.06 0.00 0.00 177.43 176.58 1pjr h ILE 267 N -0.47 1.17 0.00 2.81 2.10 -1.76 -2.26 117.51 119.10 1pjr h ILE 267 Ca 0.00 -0.73 0.00 0.00 1.08 0.00 0.00 64.86 65.21 1pjr h ILE 267 Cb 0.62 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 1pjr h ILE 267 CO 0.01 0.23 0.00 -0.07 -1.08 0.00 0.00 178.15 177.24 1pjr h LEU 268 N 0.19 0.00 -2.07 2.19 4.07 -1.49 -3.00 115.31 115.19 1pjr h LEU 268 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1pjr h LEU 268 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1pjr h LEU 268 CO 0.02 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.18 1pjr n SER 269 N -2.91 3.06 -0.09 -0.43 7.64 -0.56 -4.66 113.62 115.68 1pjr n SER 269 Ca 0.02 -1.94 -0.06 0.00 1.01 0.00 0.00 58.87 57.89 1pjr n SER 269 Cb 0.37 -0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1pjr n SER 269 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1pjr h PHE 270 N 3.75 -0.18 0.00 1.43 3.57 -1.50 0.15 116.94 124.16 1pjr h PHE 270 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pjr h PHE 270 Cb 0.84 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1pjr h PHE 270 CO 0.28 -0.14 0.00 0.39 -2.23 0.00 0.00 178.31 176.61 1pjr n GLU 271 N -5.26 0.06 -0.08 1.11 1.02 -1.26 -0.91 120.64 115.32 1pjr n GLU 271 Ca 0.00 0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1pjr n GLU 271 Cb 0.18 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.95 1pjr n GLU 271 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1pjr n ARG 272 N -1.43 0.68 -0.01 3.49 0.63 0.41 -3.16 116.66 117.26 1pjr n ARG 272 Ca 0.04 0.10 -0.18 0.00 -0.92 0.00 0.00 57.85 56.89 1pjr n ARG 272 Cb 0.13 -1.59 -0.08 0.00 0.45 0.00 0.00 32.46 31.37 1pjr n ARG 272 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1pjr h ASP 273 N 0.00 0.90 -3.05 6.15 3.32 -0.77 -3.39 116.42 119.58 1pjr h ASP 273 Ca -0.49 -0.66 -0.62 0.00 0.02 0.00 0.00 57.03 55.29 1pjr h ASP 273 Cb 2.13 -0.27 -0.41 0.00 0.22 0.00 0.00 39.33 41.00 1pjr h ASP 273 CO 0.03 1.42 -0.64 -0.31 -1.72 0.00 0.00 179.24 178.02 1pjr s TYR 274 N -3.64 3.17 -0.89 4.55 2.02 -0.08 -4.99 117.35 117.49 1pjr s TYR 274 Ca -0.11 -3.17 0.10 0.00 -0.37 0.00 0.00 57.07 53.52 1pjr s TYR 274 Cb 0.08 -2.44 0.45 0.00 -0.40 0.00 0.00 41.96 39.65 1pjr s TYR 274 CO 0.90 -0.60 1.32 -0.35 -1.57 0.00 0.00 175.55 175.25 1pjr n PRO 275 N 2.16 0.03 -0.01 -1.71 -0.04 -1.19 -0.55 135.00 133.69 1pjr n PRO 275 Ca 0.20 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 1pjr n PRO 275 Cb 0.37 -1.57 0.51 0.00 -0.04 0.00 0.00 33.50 32.76 1pjr n PRO 275 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1pjr n ASN 276 N -1.63 1.51 -4.74 3.54 2.04 -1.26 -4.99 115.26 109.74 1pjr n ASN 276 Ca 0.02 -1.53 -0.41 0.00 -0.44 0.00 0.00 54.58 52.22 1pjr n ASN 276 Cb 0.10 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 1pjr n ASN 276 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pjr n ALA 277 N 0.18 1.78 -2.70 -2.53 0.00 0.29 -4.79 120.51 112.75 1pjr n ALA 277 Ca 0.19 0.32 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 1pjr n ALA 277 Cb 0.35 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 1pjr n ALA 277 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pjr s LYS 278 N -2.12 3.62 -0.07 0.00 2.20 -0.65 -4.98 119.74 117.75 1pjr s LYS 278 Ca 0.57 -0.04 0.03 0.00 -0.36 0.00 0.00 55.97 56.16 1pjr s LYS 278 Cb -0.50 -3.00 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1pjr s LYS 278 CO 0.61 0.58 -0.14 0.08 -0.36 0.00 0.00 175.35 176.11 1pjr s VAL 279 N -1.43 1.28 -0.05 4.02 1.01 -1.26 -1.25 120.40 122.72 1pjr s VAL 279 Ca 0.33 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1pjr s VAL 279 Cb -0.13 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1pjr s VAL 279 CO 0.20 0.39 -0.17 -0.63 0.00 0.00 0.00 175.10 174.88 1pjr s ILE 280 N 0.52 1.47 -0.12 2.22 1.01 -0.78 -4.98 121.20 120.53 1pjr s ILE 280 Ca -0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 1pjr s ILE 280 Cb -0.15 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1pjr s ILE 280 CO 0.04 0.42 0.03 -0.76 0.00 0.00 0.00 174.94 174.68 1pjr s LEU 281 N 0.14 3.72 -0.48 2.97 1.43 -1.26 -1.04 118.68 124.15 1pjr s LEU 281 Ca -0.06 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.11 1pjr s LEU 281 Cb -0.13 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.33 1pjr s LEU 281 CO 0.03 0.30 0.33 -0.76 0.23 0.00 0.00 176.35 176.48 1pjr s LEU 282 N -0.42 5.54 -0.01 1.79 1.02 -0.23 -4.89 118.68 121.48 1pjr s LEU 282 Ca 0.09 -2.10 0.19 0.00 0.02 0.00 0.00 54.13 52.33 1pjr s LEU 282 Cb -0.12 -1.94 -0.24 0.00 0.02 0.00 0.00 46.19 43.91 1pjr s LEU 282 CO 0.02 -0.60 0.68 -0.62 0.02 0.00 0.00 176.35 175.85 1pjr n GLU 283 N 4.60 0.68 -2.55 1.70 1.02 -1.26 -1.76 120.64 123.06 1pjr n GLU 283 Ca -0.03 -0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 1pjr n GLU 283 Cb 0.41 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1pjr n GLU 283 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1pjr s GLN 284 N -2.98 4.25 -0.11 3.49 0.74 -1.26 -1.82 119.66 121.96 1pjr s GLN 284 Ca 0.02 1.50 -0.04 0.00 0.05 0.00 0.00 55.36 56.89 1pjr s GLN 284 Cb 0.14 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 1pjr s GLN 284 CO 0.79 -0.66 0.04 1.21 -0.55 0.00 0.00 175.29 176.13 1pjr s ASN 285 N 1.55 5.57 -0.05 6.67 3.84 0.13 -4.14 114.94 128.51 1pjr s ASN 285 Ca 0.49 0.21 0.11 0.00 0.21 0.00 0.00 52.86 53.88 1pjr s ASN 285 Cb -0.18 -1.70 0.30 0.00 -0.55 0.00 0.00 41.25 39.12 1pjr s ASN 285 CO 0.10 0.35 1.24 -1.22 -2.79 0.00 0.00 177.10 174.78 1pjr n TYR 286 N 2.33 0.46 -0.06 0.43 4.01 -0.58 -4.42 117.16 119.32 1pjr n TYR 286 Ca -0.19 -0.63 -0.13 0.00 -0.16 0.00 0.00 57.90 56.80 1pjr n TYR 286 Cb 0.54 -0.11 -0.05 0.00 -0.31 0.00 0.00 39.34 39.41 1pjr n TYR 286 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1pjr n ARG 287 N -0.08 0.26 -3.81 -0.72 0.63 -1.26 -5.03 116.66 106.65 1pjr n ARG 287 Ca 0.12 0.11 -0.21 0.00 -0.92 0.00 0.00 57.85 56.95 1pjr n ARG 287 Cb 0.52 -0.97 -0.04 0.00 0.45 0.00 0.00 32.46 32.42 1pjr n ARG 287 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1pjr s SER 288 N -5.98 5.16 0.70 6.15 0.01 -1.26 -4.50 113.70 113.98 1pjr s SER 288 Ca -0.17 -0.58 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 1pjr s SER 288 Cb 0.06 -0.86 0.03 0.00 0.21 0.00 0.00 66.02 65.45 1pjr s SER 288 CO 0.22 -0.40 1.20 -0.89 0.41 0.00 0.00 173.24 173.78 1pjr s THR 289 N -2.35 2.41 0.37 1.44 2.01 -0.98 -4.64 115.64 113.89 1pjr s THR 289 Ca 0.42 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.68 1pjr s THR 289 Cb -0.05 -2.82 0.21 0.00 0.01 0.00 0.00 72.50 69.86 1pjr s THR 289 CO 0.26 -0.10 1.96 0.11 -0.69 0.00 0.00 174.62 176.16 1pjr h LYS 290 N -0.10 0.57 -0.16 4.92 1.57 -1.12 -2.51 116.57 119.75 1pjr h LYS 290 Ca -0.48 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.17 1pjr h LYS 290 Cb 1.29 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 1pjr h LYS 290 CO 0.51 0.48 -0.11 0.00 -0.57 0.00 0.00 179.45 179.76 1pjr h ARG 291 N 0.57 0.35 -0.63 3.15 -0.00 -1.56 -2.07 114.38 114.18 1pjr h ARG 291 Ca 0.14 -0.17 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1pjr h ARG 291 Cb 0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.06 1pjr h ARG 291 CO -0.01 0.69 0.41 0.82 0.00 0.00 0.00 179.97 181.88 1pjr h ILE 292 N 0.01 1.17 -0.08 2.04 2.04 -1.79 -2.07 117.51 118.82 1pjr h ILE 292 Ca 0.03 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1pjr h ILE 292 Cb 0.60 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1pjr h ILE 292 CO 0.03 0.16 -0.30 -0.07 0.00 0.00 0.00 178.15 177.97 1pjr h LEU 293 N 0.86 0.15 -0.32 1.44 4.07 -1.49 -0.80 115.31 119.22 1pjr h LEU 293 Ca 0.23 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.03 1pjr h LEU 293 Cb -0.09 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1pjr h LEU 293 CO -0.05 0.46 -0.25 -0.61 -1.08 0.00 0.00 178.44 176.90 1pjr h GLN 294 N 0.14 0.73 -0.45 1.13 5.75 -1.08 -0.07 115.11 121.26 1pjr h GLN 294 Ca 0.02 -0.36 0.02 0.00 -0.15 0.00 0.00 58.65 58.17 1pjr h GLN 294 Cb 0.61 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1pjr h GLN 294 CO 0.04 0.98 0.27 0.00 -2.65 0.00 0.00 178.83 177.47 1pjr h ALA 295 N 0.74 0.57 -0.04 3.38 0.00 -1.08 -2.13 119.26 120.69 1pjr h ALA 295 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pjr h ALA 295 Cb 0.82 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pjr h ALA 295 CO 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 179.25 179.29 1pjr h ALA 296 N 1.20 0.06 -0.96 0.00 0.00 -1.05 -0.87 119.26 117.64 1pjr h ALA 296 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1pjr h ALA 296 Cb 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1pjr h ALA 296 CO -0.08 -0.41 0.61 -0.91 0.00 0.00 0.00 179.25 178.46 1pjr h ASN 297 N -0.00 0.98 0.23 0.00 2.35 -0.91 -2.01 115.58 116.21 1pjr h ASN 297 Ca 0.02 0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 55.49 1pjr h ASN 297 Cb 0.06 -0.20 0.02 0.00 0.05 0.00 0.00 38.32 38.26 1pjr h ASN 297 CO -0.00 0.63 -1.20 -0.33 -1.65 0.00 0.00 177.43 174.88 1pjr h GLU 298 N 1.12 0.55 0.46 0.81 4.39 -1.24 -2.39 114.58 118.28 1pjr h GLU 298 Ca 0.41 -0.73 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1pjr h GLU 298 Cb 0.14 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1pjr h GLU 298 CO -0.17 1.32 -0.22 0.28 -1.16 0.00 0.00 179.01 179.06 1pjr h VAL 299 N 0.25 0.54 0.00 3.13 2.07 -1.03 -3.14 116.25 118.06 1pjr h VAL 299 Ca -0.16 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1pjr h VAL 299 Cb 1.87 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1pjr h VAL 299 CO 0.22 0.02 -0.11 -0.29 0.02 0.00 0.00 177.57 177.43 1pjr h ILE 300 N -0.67 0.53 0.00 4.57 6.09 -1.41 -1.99 117.51 124.64 1pjr h ILE 300 Ca -0.06 -0.52 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1pjr h ILE 300 Cb 0.50 1.34 0.00 0.00 0.47 0.00 0.00 36.82 39.14 1pjr h ILE 300 CO 0.10 0.11 0.00 1.21 -3.07 0.00 0.00 178.15 176.50 1pjr n GLU 301 N -3.61 0.00 0.00 2.19 4.07 -0.90 -1.29 120.64 121.10 1pjr n GLU 301 Ca -0.02 0.40 0.14 0.00 -0.06 0.00 0.00 57.16 57.63 1pjr n GLU 301 Cb 0.24 -1.50 0.78 0.00 -0.06 0.00 0.00 31.44 30.90 1pjr n GLU 301 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1pjr n HIS 302 N -1.49 0.00 -3.58 4.31 8.25 -0.75 -4.79 115.22 117.17 1pjr n HIS 302 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 1pjr n HIS 302 Cb 0.06 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 30.96 1pjr n HIS 302 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1pjr s ASN 303 N -2.31 6.61 -0.09 0.41 0.02 -0.42 -5.02 114.94 114.15 1pjr s ASN 303 Ca 0.34 0.77 -0.03 0.00 -1.02 0.00 0.00 52.86 52.93 1pjr s ASN 303 Cb 0.19 -2.17 -0.26 0.00 0.02 0.00 0.00 41.25 39.04 1pjr s ASN 303 CO 0.39 0.13 0.48 0.58 0.02 0.00 0.00 177.10 178.69 1pjr h VAL 304 N 2.63 0.72 -0.82 1.60 2.07 -1.90 -3.41 116.25 117.14 1pjr h VAL 304 Ca -0.48 -2.45 -0.69 0.00 0.82 0.00 0.00 66.70 63.89 1pjr h VAL 304 Cb 1.19 2.52 -0.08 0.00 -1.52 0.00 0.00 31.29 33.39 1pjr h VAL 304 CO 0.68 0.81 2.30 0.59 0.02 0.00 0.00 177.57 181.97 1pjr n ASN 305 N -3.40 4.78 -3.77 0.57 3.02 -1.26 -4.83 115.26 110.37 1pjr n ASN 305 Ca -0.27 -2.91 -0.10 0.00 -0.03 0.00 0.00 54.58 51.26 1pjr n ASN 305 Cb 1.05 -1.71 -0.06 0.00 -0.61 0.00 0.00 39.78 38.45 1pjr n ASN 305 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1pjr s ARG 306 N 3.76 1.03 -0.15 3.52 0.52 -1.26 -4.94 118.95 121.43 1pjr s ARG 306 Ca 0.52 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 1pjr s ARG 306 Cb 0.05 0.42 0.01 0.00 0.52 0.00 0.00 34.95 35.95 1pjr s ARG 306 CO 0.04 -0.38 -0.20 0.21 0.02 0.00 0.00 175.30 174.99 1pjr s LYS 307 N -3.85 3.06 0.19 3.54 2.47 -1.26 -5.11 119.74 118.78 1pjr s LYS 307 Ca 0.06 -0.82 -0.32 0.00 -1.56 0.00 0.00 55.97 53.33 1pjr s LYS 307 Cb 0.03 -2.51 -0.16 0.00 -1.46 0.00 0.00 37.83 33.73 1pjr s LYS 307 CO -0.09 -0.04 1.05 -2.30 0.16 0.00 0.00 175.35 174.13 1pjr n PRO 308 N 4.17 1.01 -3.64 4.03 -0.02 -1.26 -5.02 135.00 134.27 1pjr n PRO 308 Ca -0.20 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.59 1pjr n PRO 308 Cb 0.51 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.15 1pjr n PRO 308 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1pjr s LYS 309 N -0.67 0.47 -0.23 -0.52 2.20 -1.26 -5.13 119.74 114.60 1pjr s LYS 309 Ca 0.70 0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 57.04 1pjr s LYS 309 Cb -0.85 0.14 0.07 0.00 -1.51 0.00 0.00 37.83 35.67 1pjr s LYS 309 CO 0.54 -0.09 0.00 1.03 -0.36 0.00 0.00 175.35 176.48 1pjr s ARG 310 N 1.07 1.10 0.54 4.03 1.81 -1.26 -5.02 118.95 121.23 1pjr s ARG 310 Ca -0.06 -0.77 -0.14 0.00 -1.72 0.00 0.00 55.73 53.03 1pjr s ARG 310 Cb -0.04 -2.33 -0.07 0.00 -0.45 0.00 0.00 34.95 32.06 1pjr s ARG 310 CO -0.13 -0.67 0.99 0.96 -0.68 0.00 0.00 175.30 175.77 1pjr s ILE 311 N 1.61 4.60 0.22 1.52 -4.36 -1.26 -4.87 121.20 118.66 1pjr s ILE 311 Ca -0.02 1.08 -0.09 0.00 -0.26 0.00 0.00 60.65 61.37 1pjr s ILE 311 Cb -0.18 -3.77 -0.02 0.00 1.25 0.00 0.00 42.46 39.75 1pjr s ILE 311 CO -0.09 -0.83 0.35 -1.66 0.24 0.00 0.00 174.94 172.95 1pjr s TRP 312 N -2.79 0.61 0.04 1.37 1.48 -0.76 -4.83 118.94 114.05 1pjr s TRP 312 Ca 0.57 -0.93 -0.24 0.00 -1.06 0.00 0.00 56.10 54.45 1pjr s TRP 312 Cb -0.10 -0.07 0.06 0.00 -1.16 0.00 0.00 33.47 32.19 1pjr s TRP 312 CO 0.39 -0.85 0.54 -0.08 -4.06 0.00 0.00 176.95 172.89 1pjr s THR 313 N -4.06 0.02 -2.24 0.66 -1.32 -1.26 -0.69 115.64 106.75 1pjr s THR 313 Ca 0.27 -0.20 0.29 0.00 -1.21 0.00 0.00 61.69 60.84 1pjr s THR 313 Cb 0.02 -0.97 0.57 0.00 -1.51 0.00 0.00 72.50 70.61 1pjr s THR 313 CO 0.09 -0.11 1.82 -0.62 -2.21 0.00 0.00 174.62 173.59 1pjr n GLU 314 N 0.47 1.36 -1.24 7.08 1.02 -1.26 -4.90 120.64 123.17 1pjr n GLU 314 Ca -0.18 -0.67 -0.30 0.00 -0.02 0.00 0.00 57.16 55.98 1pjr n GLU 314 Cb 0.60 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.64 1pjr n GLU 314 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1pjr s ASN 315 N -2.11 4.07 1.09 1.62 0.02 -1.26 -5.02 114.94 113.36 1pjr s ASN 315 Ca 0.37 1.68 -0.13 0.00 -1.02 0.00 0.00 52.86 53.76 1pjr s ASN 315 Cb 0.21 -2.37 0.24 0.00 0.02 0.00 0.00 41.25 39.35 1pjr s ASN 315 CO 0.38 -2.29 1.06 -2.16 0.02 0.00 0.00 177.10 174.10 1pjr s PRO 316 N -4.92 -0.35 0.20 -0.60 0.04 -1.26 -4.42 135.00 123.69 1pjr s PRO 316 Ca 0.62 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 1pjr s PRO 316 Cb -0.17 -1.63 0.13 0.00 0.04 0.00 0.00 34.50 32.86 1pjr s PRO 316 CO 0.56 -3.32 1.86 0.93 0.04 0.00 0.00 177.00 177.07 1pjr h GLU 317 N -2.33 0.91 0.00 4.56 5.08 -1.95 -0.42 114.58 120.44 1pjr h GLU 317 Ca -0.58 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1pjr h GLU 317 Cb 1.33 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1pjr h GLU 317 CO 0.53 0.62 0.00 0.41 -1.00 0.00 0.00 179.01 179.56 1pjr n GLY 318 N -1.24 -1.50 3.70 -3.84 0.00 -1.26 -1.67 105.19 99.37 1pjr n GLY 318 Ca 0.06 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1pjr n GLY 318 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pjr s LYS 319 N -1.59 1.37 1.03 1.61 1.02 -1.26 -4.91 119.74 117.00 1pjr s LYS 319 Ca 0.00 1.36 -0.16 0.00 0.02 0.00 0.00 55.97 57.20 1pjr s LYS 319 Cb 0.00 -1.78 0.21 0.00 -0.52 0.00 0.00 37.83 35.73 1pjr s LYS 319 CO 0.00 -2.32 1.17 -2.14 -0.92 0.00 0.00 175.35 171.14 1pjr s PRO 320 N -4.74 0.18 -0.40 -1.68 0.02 -1.26 -4.86 135.00 122.25 1pjr s PRO 320 Ca 0.65 0.00 -0.23 0.00 0.02 0.00 0.00 61.00 61.44 1pjr s PRO 320 Cb -0.21 -1.75 0.02 0.00 0.02 0.00 0.00 34.50 32.58 1pjr s PRO 320 CO 0.57 -2.79 0.78 0.42 -0.33 0.00 0.00 177.00 175.65 1pjr s ILE 321 N -3.33 4.70 0.43 2.83 1.01 -0.45 -4.65 121.20 121.74 1pjr s ILE 321 Ca 0.69 0.66 -0.22 0.00 0.00 0.00 0.00 60.65 61.77 1pjr s ILE 321 Cb -0.10 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1pjr s ILE 321 CO 0.54 -0.56 1.04 -0.22 0.00 0.00 0.00 174.94 175.74 1pjr s LEU 322 N 3.17 4.02 -0.07 2.97 2.96 -1.09 -1.08 118.68 129.57 1pjr s LEU 322 Ca 0.30 1.97 0.01 0.00 -0.22 0.00 0.00 54.13 56.20 1pjr s LEU 322 Cb -0.13 -4.34 0.02 0.00 0.50 0.00 0.00 46.19 42.24 1pjr s LEU 322 CO 0.19 -0.58 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.09 1pjr s TYR 323 N -1.81 1.17 -0.20 5.38 5.04 0.08 -1.05 117.35 125.96 1pjr s TYR 323 Ca 0.61 -0.43 -0.03 0.00 -2.44 0.00 0.00 57.07 54.78 1pjr s TYR 323 Cb -0.19 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.17 1pjr s TYR 323 CO 0.24 -0.29 -0.06 -0.47 -1.34 0.00 0.00 175.55 173.63 1pjr s TYR 324 N 0.98 2.94 -0.41 4.97 5.04 0.42 0.79 117.35 132.08 1pjr s TYR 324 Ca -0.09 -0.83 -0.18 0.00 -2.44 0.00 0.00 57.07 53.52 1pjr s TYR 324 Cb -0.15 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 40.14 1pjr s TYR 324 CO 0.00 -0.44 0.49 -2.00 -1.34 0.00 0.00 175.55 172.26 1pjr s GLU 325 N 1.18 3.21 0.46 4.97 2.12 -1.26 -2.42 118.70 126.96 1pjr s GLU 325 Ca 0.02 -0.59 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 1pjr s GLU 325 Cb -0.14 -3.94 -0.01 0.00 0.26 0.00 0.00 34.13 30.30 1pjr s GLU 325 CO -0.01 -0.85 0.70 0.00 -0.54 0.00 0.00 175.26 174.56 1pjr s ALA 326 N 2.32 3.65 0.02 6.30 0.00 -0.35 -4.95 121.76 128.75 1pjr s ALA 326 Ca 0.15 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1pjr s ALA 326 Cb -0.16 -2.24 -0.33 0.00 0.00 0.00 0.00 23.12 20.38 1pjr s ALA 326 CO 0.15 -0.40 1.00 0.52 0.00 0.00 0.00 175.76 177.03 1pjr h MET 327 N 0.33 0.51 -3.88 0.00 2.86 -1.91 0.24 114.93 113.08 1pjr h MET 327 Ca -0.46 -0.81 -0.13 0.00 -2.06 0.00 0.00 59.70 56.24 1pjr h MET 327 Cb 1.25 0.29 -0.10 0.00 0.06 0.00 0.00 31.60 33.10 1pjr h MET 327 CO 0.59 1.38 -0.21 0.54 1.06 0.00 0.00 176.91 180.27 1pjr s ASN 328 N -7.40 0.13 0.43 1.22 2.20 -1.25 -0.50 114.94 109.77 1pjr s ASN 328 Ca -0.10 -1.11 0.10 0.00 -0.94 0.00 0.00 52.86 50.81 1pjr s ASN 328 Cb 0.04 0.57 0.94 0.00 -2.00 0.00 0.00 41.25 40.80 1pjr s ASN 328 CO 0.92 -1.13 2.05 1.05 -2.94 0.00 0.00 177.10 177.05 1pjr h GLU 329 N 2.29 0.34 -0.68 3.55 9.09 -1.92 -1.89 114.58 125.35 1pjr h GLU 329 Ca -0.28 -0.03 -0.05 0.00 0.05 0.00 0.00 59.36 59.04 1pjr h GLU 329 Cb 1.25 -0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 28.25 1pjr h GLU 329 CO 0.39 0.27 0.22 0.00 0.05 0.00 0.00 179.01 179.95 1pjr h ALA 330 N 1.78 0.89 -0.26 1.06 0.00 -1.96 -1.43 119.26 119.34 1pjr h ALA 330 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1pjr h ALA 330 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pjr h ALA 330 CO -0.01 0.55 0.07 0.22 0.00 0.00 0.00 179.25 180.09 1pjr h ASP 331 N 0.99 0.39 -0.28 0.00 3.58 -1.84 -0.05 116.42 119.20 1pjr h ASP 331 Ca 0.22 -0.21 0.06 0.00 0.42 0.00 0.00 57.03 57.52 1pjr h ASP 331 Cb 0.28 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.17 1pjr h ASP 331 CO -0.01 0.50 -0.13 -0.08 -2.88 0.00 0.00 179.24 176.64 1pjr h GLU 332 N 0.25 -0.08 -0.26 0.28 4.81 -1.15 0.66 114.58 119.09 1pjr h GLU 332 Ca 0.08 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1pjr h GLU 332 Cb 0.26 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1pjr h GLU 332 CO -0.00 -0.06 -0.14 0.00 -0.73 0.00 0.00 179.01 178.09 1pjr h ALA 333 N 1.15 1.27 -0.57 2.92 0.00 -1.11 -2.48 119.26 120.44 1pjr h ALA 333 Ca 0.15 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1pjr h ALA 333 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1pjr h ALA 333 CO -0.34 0.48 -0.02 1.96 0.00 0.00 0.00 179.25 181.33 1pjr h GLN 334 N 0.42 1.01 0.37 0.00 4.20 -0.21 -2.08 115.11 118.82 1pjr h GLN 334 Ca 0.08 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1pjr h GLN 334 Cb 0.49 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1pjr h GLN 334 CO 0.03 1.02 -0.25 0.35 -0.67 0.00 0.00 178.83 179.31 1pjr h PHE 335 N 0.90 -0.65 -0.30 2.96 3.57 -0.46 -0.07 116.94 122.88 1pjr h PHE 335 Ca 0.16 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 1pjr h PHE 335 Cb 0.57 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1pjr h PHE 335 CO 0.04 -0.38 0.03 0.28 -2.23 0.00 0.00 178.31 176.05 1pjr h VAL 336 N -0.61 0.82 -0.67 1.41 2.07 -1.42 -0.33 116.25 117.53 1pjr h VAL 336 Ca -0.04 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1pjr h VAL 336 Cb 0.51 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1pjr h VAL 336 CO 0.02 0.02 0.37 0.00 0.02 0.00 0.00 177.57 178.00 1pjr h ALA 337 N 1.24 1.39 0.70 1.67 0.00 -1.23 -2.26 119.26 120.77 1pjr h ALA 337 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1pjr h ALA 337 Cb 0.17 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pjr h ALA 337 CO -0.21 0.50 -0.34 0.78 0.00 0.00 0.00 179.25 179.99 1pjr h GLY 338 N 0.98 -0.99 0.52 0.00 0.00 0.25 -0.83 103.07 103.00 1pjr h GLY 338 Ca 0.24 0.37 0.11 0.00 0.00 0.00 0.00 47.33 48.05 1pjr h GLY 338 CO -0.04 -0.36 0.63 3.21 0.00 0.00 0.00 176.54 179.99 1pjr h ARG 339 N -1.04 0.99 -0.17 4.80 3.08 -0.88 -0.78 114.38 120.38 1pjr h ARG 339 Ca -0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1pjr h ARG 339 Cb 0.75 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1pjr h ARG 339 CO 0.16 0.65 0.02 0.82 -1.07 0.00 0.00 179.97 180.56 1pjr h ILE 340 N 1.02 1.23 0.18 2.04 2.04 -1.31 -2.01 117.51 120.71 1pjr h ILE 340 Ca 0.49 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1pjr h ILE 340 Cb 0.44 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1pjr h ILE 340 CO -0.25 0.22 -0.16 -0.09 0.00 0.00 0.00 178.15 177.88 1pjr h ARG 341 N 0.06 -0.35 -0.11 2.37 2.43 -0.25 -2.76 114.38 115.77 1pjr h ARG 341 Ca 0.05 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1pjr h ARG 341 Cb 0.32 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 1pjr h ARG 341 CO 0.00 -0.23 -0.27 1.49 -1.51 0.00 0.00 179.97 179.45 1pjr h GLU 342 N -0.36 -0.34 0.00 0.20 4.81 -1.17 -1.25 114.58 116.48 1pjr h GLU 342 Ca -0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1pjr h GLU 342 Cb 0.33 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1pjr h GLU 342 CO -0.03 -0.23 -0.11 0.00 -0.73 0.00 0.00 179.01 177.91 1pjr h ALA 343 N 0.54 1.19 0.01 2.92 0.00 -1.33 -3.19 119.26 119.41 1pjr h ALA 343 Ca 0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1pjr h ALA 343 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1pjr h ALA 343 CO -0.31 0.14 -0.57 0.28 0.00 0.00 0.00 179.25 178.79 1pjr h VAL 344 N 0.00 1.42 0.00 0.00 2.07 -1.02 -2.19 116.25 116.53 1pjr h VAL 344 Ca -0.00 -2.29 -0.62 0.00 0.82 0.00 0.00 66.70 64.60 1pjr h VAL 344 Cb 0.38 2.92 0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1pjr h VAL 344 CO 0.01 0.51 3.43 -0.62 0.02 0.00 0.00 177.57 180.92 1pjr n GLU 345 N -4.49 3.14 0.00 1.57 4.71 -0.56 -1.64 120.64 123.37 1pjr n GLU 345 Ca -0.19 -2.11 0.00 0.00 -0.01 0.00 0.00 57.16 54.85 1pjr n GLU 345 Cb 0.59 -2.82 0.00 0.00 -1.01 0.00 0.00 31.44 28.19 1pjr n GLU 345 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1pjr n ARG 346 N 4.31 0.00 -0.32 3.49 1.74 -1.25 -4.93 116.66 119.69 1pjr n ARG 346 Ca 0.66 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 1pjr n ARG 346 Cb 0.25 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.69 1pjr n ARG 346 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pjr n GLY 347 N 0.00 2.32 0.26 -0.13 0.00 -0.65 -4.87 105.19 102.12 1pjr n GLY 347 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1pjr n GLY 347 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pjr h GLU 348 N 2.30 0.89 -3.73 1.61 4.81 -1.66 -3.47 114.58 115.33 1pjr h GLU 348 Ca 0.00 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 58.77 1pjr h GLU 348 Cb 0.00 -0.06 -0.19 0.00 0.63 0.00 0.00 28.75 29.12 1pjr h GLU 348 CO 0.00 0.96 -0.55 1.03 -0.73 0.00 0.00 179.01 179.72 1pjr s ARG 349 N -4.89 0.50 0.51 1.92 3.00 -0.90 -5.03 118.95 114.06 1pjr s ARG 349 Ca -0.12 -0.59 0.05 0.00 0.00 0.00 0.00 55.73 55.07 1pjr s ARG 349 Cb 0.12 0.20 0.04 0.00 0.00 0.00 0.00 34.95 35.30 1pjr s ARG 349 CO 0.83 -0.12 0.71 1.03 0.00 0.00 0.00 175.30 177.76 1pjr s ARG 350 N -1.93 2.55 0.17 3.54 0.52 -1.26 -3.99 118.95 118.55 1pjr s ARG 350 Ca -0.11 -1.14 -0.06 0.00 -0.52 0.00 0.00 55.73 53.90 1pjr s ARG 350 Cb -0.05 -2.62 0.05 0.00 0.52 0.00 0.00 34.95 32.86 1pjr s ARG 350 CO -0.02 -0.61 1.49 1.88 0.02 0.00 0.00 175.30 178.06 1pjr h TYR 351 N 0.28 0.86 0.00 -0.53 0.05 -1.90 -2.89 116.97 112.83 1pjr h TYR 351 Ca -0.39 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.10 1pjr h TYR 351 Cb 1.29 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1pjr h TYR 351 CO 0.34 1.05 0.00 2.89 -1.05 0.00 0.00 178.16 181.40 1pjr n ARG 352 N -3.99 0.35 0.00 4.88 1.85 -1.23 -2.46 116.66 116.06 1pjr n ARG 352 Ca -0.03 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.95 1pjr n ARG 352 Cb 0.59 -1.38 0.31 0.00 -1.05 0.00 0.00 32.46 30.93 1pjr n ARG 352 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1pjr n ASP 353 N -0.88 1.43 -4.54 2.89 8.00 -1.09 -4.91 116.55 117.45 1pjr n ASP 353 Ca 0.06 -1.19 -0.34 0.00 0.71 0.00 0.00 54.79 54.04 1pjr n ASP 353 Cb 0.03 0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.18 1pjr n ASP 353 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pjr s PHE 354 N -2.38 2.89 -0.00 1.24 0.08 -1.03 -1.41 117.98 117.38 1pjr s PHE 354 Ca 0.26 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.25 1pjr s PHE 354 Cb 0.19 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.90 1pjr s PHE 354 CO 0.48 0.22 -0.13 0.00 -0.10 0.00 0.00 175.22 175.69 1pjr s ALA 355 N -0.58 1.11 -0.18 5.36 0.00 -0.89 -1.65 121.76 124.92 1pjr s ALA 355 Ca 0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1pjr s ALA 355 Cb -0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1pjr s ALA 355 CO 0.02 0.26 -0.13 0.08 0.00 0.00 0.00 175.76 175.99 1pjr s VAL 356 N -0.39 2.79 -0.05 0.00 1.01 -0.37 -1.27 120.40 122.12 1pjr s VAL 356 Ca 0.05 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1pjr s VAL 356 Cb -0.06 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1pjr s VAL 356 CO -0.00 0.49 -0.16 -0.76 0.00 0.00 0.00 175.10 174.67 1pjr s LEU 357 N 1.09 2.61 0.07 3.92 1.43 -0.00 -3.09 118.68 124.71 1pjr s LEU 357 Ca 0.00 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1pjr s LEU 357 Cb -0.14 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1pjr s LEU 357 CO -0.04 0.32 -0.08 -0.72 0.23 0.00 0.00 176.35 176.07 1pjr s TYR 358 N -0.61 0.83 0.05 0.29 -0.85 -1.13 -1.63 117.35 114.30 1pjr s TYR 358 Ca 0.09 -0.71 -0.16 0.00 -0.52 0.00 0.00 57.07 55.77 1pjr s TYR 358 Cb -0.11 -0.48 -0.22 0.00 0.38 0.00 0.00 41.96 41.53 1pjr s TYR 358 CO 0.01 -0.10 1.17 -0.09 -1.52 0.00 0.00 175.55 175.02 1pjr h ARG 359 N 3.69 0.60 -6.76 -3.49 9.65 -1.90 -1.78 114.38 114.39 1pjr h ARG 359 Ca -0.36 -0.61 -0.68 0.00 -1.10 0.00 0.00 59.98 57.22 1pjr h ARG 359 Cb 1.18 0.17 -0.21 0.00 -1.39 0.00 0.00 29.97 29.72 1pjr h ARG 359 CO 0.53 1.22 -0.83 0.99 2.80 0.00 0.00 179.97 184.68 1pjr s THR 360 N -3.35 2.57 -1.04 0.20 2.01 -1.26 -4.64 115.64 110.12 1pjr s THR 360 Ca -0.11 -1.51 0.27 0.00 0.31 0.00 0.00 61.69 60.64 1pjr s THR 360 Cb 0.06 -2.13 0.13 0.00 0.01 0.00 0.00 72.50 70.57 1pjr s THR 360 CO 0.88 0.17 1.66 -0.46 -0.69 0.00 0.00 174.62 176.18 1pjr n ASN 361 N 1.08 0.29 -0.02 3.53 6.94 -1.26 -2.71 115.26 123.11 1pjr n ASN 361 Ca -0.17 0.04 0.14 0.00 -0.02 0.00 0.00 54.58 54.57 1pjr n ASN 361 Cb 0.53 -0.09 0.57 0.00 -2.36 0.00 0.00 39.78 38.43 1pjr n ASN 361 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pjr h ALA 362 N 3.04 2.14 0.00 -2.53 0.00 -1.92 -1.79 119.26 118.21 1pjr h ALA 362 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pjr h ALA 362 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pjr h ALA 362 CO 0.00 -0.27 0.00 1.04 0.00 0.00 0.00 179.25 180.02 1pjr n GLN 363 N -4.45 0.13 0.22 0.00 6.02 -1.10 -2.05 117.38 116.15 1pjr n GLN 363 Ca 0.08 0.58 0.12 0.00 -0.01 0.00 0.00 57.00 57.77 1pjr n GLN 363 Cb 0.40 -1.89 0.33 0.00 1.02 0.00 0.00 30.24 30.10 1pjr n GLN 363 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1pjr h SER 364 N 0.00 0.00 0.68 1.08 4.64 -1.52 -3.35 113.55 115.08 1pjr h SER 364 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1pjr h SER 364 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1pjr h SER 364 CO 0.00 0.11 -0.49 -0.09 -0.87 0.00 0.00 176.83 175.49 1pjr h ARG 365 N 0.00 -1.08 0.00 4.77 2.43 -1.61 0.37 114.38 119.26 1pjr h ARG 365 Ca -0.00 0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1pjr h ARG 365 Cb 0.89 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1pjr h ARG 365 CO 0.01 -0.72 -0.18 -0.24 -1.51 0.00 0.00 179.97 177.33 1pjr h VAL 366 N -1.12 0.69 -0.16 0.20 3.04 -1.81 -1.36 116.25 115.74 1pjr h VAL 366 Ca -0.09 -0.77 -0.20 0.00 -1.01 0.00 0.00 66.70 64.63 1pjr h VAL 366 Cb 0.92 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1pjr h VAL 366 CO 0.04 0.18 -0.70 -0.03 -1.01 0.00 0.00 177.57 176.05 1pjr h MET 367 N 0.00 0.67 -0.34 4.17 1.85 -1.44 -2.79 114.93 117.06 1pjr h MET 367 Ca -0.00 -0.51 -0.06 0.00 -0.61 0.00 0.00 59.70 58.52 1pjr h MET 367 Cb 0.47 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.58 1pjr h MET 367 CO 0.02 1.13 -0.02 0.93 -0.40 0.00 0.00 176.91 178.57 1pjr h GLU 368 N 0.48 0.61 -0.13 0.39 5.08 0.39 -1.92 114.58 119.47 1pjr h GLU 368 Ca -0.03 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1pjr h GLU 368 Cb 1.30 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1pjr h GLU 368 CO 0.14 0.75 -0.25 0.93 -1.00 0.00 0.00 179.01 179.57 1pjr h GLU 369 N 0.41 -0.31 -0.68 2.33 5.08 -1.23 -0.52 114.58 119.67 1pjr h GLU 369 Ca 0.09 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1pjr h GLU 369 Cb 0.49 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1pjr h GLU 369 CO 0.02 -0.20 0.22 0.52 -1.00 0.00 0.00 179.01 178.56 1pjr h MET 370 N -0.32 1.05 -0.32 2.33 2.86 -1.48 -1.09 114.93 117.96 1pjr h MET 370 Ca 0.10 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1pjr h MET 370 Cb 0.47 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1pjr h MET 370 CO -0.32 0.91 0.09 -0.07 1.06 0.00 0.00 176.91 178.58 1pjr h LEU 371 N 0.98 0.42 -0.10 1.22 3.38 -1.06 -1.98 115.31 118.17 1pjr h LEU 371 Ca 0.22 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.90 1pjr h LEU 371 Cb 0.29 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pjr h LEU 371 CO -0.01 0.42 -1.01 0.25 0.09 0.00 0.00 178.44 178.18 1pjr h LEU 372 N 0.46 0.57 0.36 1.67 5.85 -0.64 -1.01 115.31 122.57 1pjr h LEU 372 Ca 0.11 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1pjr h LEU 372 Cb 0.16 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1pjr h LEU 372 CO -0.01 1.29 -0.18 0.11 -0.34 0.00 0.00 178.44 179.32 1pjr h LYS 373 N 0.23 -0.47 0.00 1.25 1.57 -0.93 -2.85 116.57 115.37 1pjr h LYS 373 Ca -0.10 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1pjr h LYS 373 Cb 1.66 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.08 1pjr h LYS 373 CO 0.18 -0.31 0.00 0.00 -0.57 0.00 0.00 179.45 178.74 1pjr n ALA 374 N -2.31 2.07 -3.84 3.86 0.00 -0.77 -4.86 120.51 114.66 1pjr n ALA 374 Ca -0.10 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 1pjr n ALA 374 Cb 0.21 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.47 1pjr n ALA 374 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pjr n ASN 375 N -0.94 -4.02 -4.62 0.00 3.02 -1.02 -5.00 115.26 102.68 1pjr n ASN 375 Ca 0.10 -0.77 -0.39 0.00 -0.03 0.00 0.00 54.58 53.49 1pjr n ASN 375 Cb 0.05 -4.00 -0.09 0.00 -0.61 0.00 0.00 39.78 35.13 1pjr n ASN 375 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pjr s ILE 376 N -3.39 5.19 0.25 2.41 1.01 -0.41 -5.04 121.20 121.21 1pjr s ILE 376 Ca 0.50 0.55 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 1pjr s ILE 376 Cb -0.25 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 1pjr s ILE 376 CO 0.82 0.19 1.14 -2.16 0.00 0.00 0.00 174.94 174.92 1pjr s PRO 377 N 1.88 4.58 0.26 2.79 0.04 -1.26 -4.50 135.00 138.79 1pjr s PRO 377 Ca 0.15 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.04 1pjr s PRO 377 Cb -0.15 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1pjr s PRO 377 CO 0.09 0.10 0.13 1.52 0.04 0.00 0.00 177.00 178.88 1pjr s TYR 378 N -0.80 1.47 0.04 0.56 1.13 -1.26 -0.48 117.35 118.01 1pjr s TYR 378 Ca 0.47 -1.31 -0.07 0.00 -1.41 0.00 0.00 57.07 54.76 1pjr s TYR 378 Cb -0.32 -0.79 -0.01 0.00 -1.10 0.00 0.00 41.96 39.74 1pjr s TYR 378 CO 0.40 -0.49 0.13 -0.65 -2.51 0.00 0.00 175.55 172.43 1pjr s GLN 379 N -3.97 0.62 -0.13 -3.49 -0.21 -0.51 -4.86 119.66 107.12 1pjr s GLN 379 Ca 0.37 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 55.02 1pjr s GLN 379 Cb 0.06 0.25 -0.02 0.00 1.00 0.00 0.00 33.01 34.30 1pjr s GLN 379 CO 0.15 -0.16 -0.08 0.42 -2.12 0.00 0.00 175.29 173.50 1pjr s ILE 380 N -2.61 3.57 -0.23 1.08 1.01 -1.26 -1.41 121.20 121.35 1pjr s ILE 380 Ca -0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 1pjr s ILE 380 Cb -0.01 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1pjr s ILE 380 CO -0.04 0.53 0.26 -0.69 0.00 0.00 0.00 174.94 174.99 1pjr s VAL 381 N 0.11 5.29 -0.58 2.92 1.01 0.57 -4.10 120.40 125.62 1pjr s VAL 381 Ca -0.03 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1pjr s VAL 381 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1pjr s VAL 381 CO 0.03 0.30 0.12 0.61 0.00 0.00 0.00 175.10 176.17 1pjr n GLY 382 N 4.18 0.18 0.00 4.51 0.00 -1.26 -4.42 105.19 108.37 1pjr n GLY 382 Ca -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1pjr n GLY 382 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pjr n GLY 383 N -1.01 -1.23 3.45 -0.02 0.00 -1.26 -4.96 105.19 100.15 1pjr n GLY 383 Ca -0.06 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1pjr n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pjr s LEU 384 N 0.00 2.51 1.02 0.99 2.01 -1.26 -4.65 118.68 119.31 1pjr s LEU 384 Ca 0.00 -1.20 -0.13 0.00 0.01 0.00 0.00 54.13 52.81 1pjr s LEU 384 Cb 0.00 -0.69 0.15 0.00 0.01 0.00 0.00 46.19 45.66 1pjr s LEU 384 CO 0.00 -0.33 0.73 0.29 1.01 0.00 0.00 176.35 178.05 1pjr n LYS 385 N -0.62 -1.10 0.19 1.70 5.02 -1.26 -4.80 118.16 117.28 1pjr n LYS 385 Ca -0.05 -0.28 -0.14 0.00 -2.02 0.00 0.00 58.31 55.82 1pjr n LYS 385 Cb 0.64 -2.08 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 1pjr n LYS 385 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1pjr h PHE 386 N -2.04 -0.70 0.00 2.13 3.57 -1.95 -3.11 116.94 114.84 1pjr h PHE 386 Ca -0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1pjr h PHE 386 Cb 1.30 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.32 1pjr h PHE 386 CO 0.36 -0.39 0.00 1.88 -2.23 0.00 0.00 178.31 177.93 1pjr h TYR 387 N -0.57 0.00 -0.35 0.41 0.05 -1.95 -2.18 116.97 112.37 1pjr h TYR 387 Ca -0.01 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.60 1pjr h TYR 387 Cb 0.52 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.16 1pjr h TYR 387 CO -0.16 0.00 -0.06 -0.40 -1.05 0.00 0.00 178.16 176.48 1pjr n ASP 388 N -2.53 2.60 -4.79 3.88 5.68 -1.18 -4.32 116.55 115.90 1pjr n ASP 388 Ca 0.01 -3.71 -0.34 0.00 -0.50 0.00 0.00 54.79 50.25 1pjr n ASP 388 Cb 0.20 -0.63 -0.01 0.00 -1.14 0.00 0.00 41.12 39.54 1pjr n ASP 388 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1pjr s ARG 389 N -3.21 3.52 0.14 0.11 0.52 -0.82 -4.85 118.95 114.36 1pjr s ARG 389 Ca 0.44 1.46 -0.18 0.00 -0.52 0.00 0.00 55.73 56.93 1pjr s ARG 389 Cb 0.40 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.84 1pjr s ARG 389 CO 0.01 -0.68 1.74 -0.22 0.02 0.00 0.00 175.30 176.17 1pjr h LYS 390 N 1.24 0.18 0.00 3.54 3.64 -1.93 -1.28 116.57 121.95 1pjr h LYS 390 Ca -0.49 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1pjr h LYS 390 Cb 1.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1pjr h LYS 390 CO 0.58 0.12 -0.20 1.05 -2.27 0.00 0.00 179.45 178.73 1pjr h GLU 391 N 0.18 0.00 0.06 1.90 9.09 -1.95 0.64 114.58 124.50 1pjr h GLU 391 Ca 0.13 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.41 1pjr h GLU 391 Cb 0.12 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.23 1pjr h GLU 391 CO -0.15 0.20 -0.54 0.82 0.05 0.00 0.00 179.01 179.39 1pjr h ILE 392 N 0.00 1.54 -0.74 -1.06 1.08 -1.81 -2.50 117.51 114.02 1pjr h ILE 392 Ca -0.00 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 1pjr h ILE 392 Cb 0.46 3.00 -0.04 0.00 -3.07 0.00 0.00 36.82 37.17 1pjr h ILE 392 CO 0.03 0.64 0.48 0.11 -0.69 0.00 0.00 178.15 178.72 1pjr h LYS 393 N -0.42 0.98 0.46 2.37 1.57 -0.96 -0.95 116.57 119.63 1pjr h LYS 393 Ca -0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1pjr h LYS 393 Cb 1.35 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1pjr h LYS 393 CO 0.10 0.65 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.97 1pjr h ASP 394 N 1.00 -0.53 0.01 0.86 3.32 -0.88 -1.83 116.42 118.37 1pjr h ASP 394 Ca 0.27 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 1pjr h ASP 394 Cb -0.10 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1pjr h ASP 394 CO -0.06 -0.30 -0.20 -0.29 -1.72 0.00 0.00 179.24 176.67 1pjr h ILE 395 N -0.73 1.23 -0.22 0.35 6.09 -1.40 -2.05 117.51 120.78 1pjr h ILE 395 Ca -0.06 -1.07 -0.07 0.00 -1.37 0.00 0.00 64.86 62.29 1pjr h ILE 395 Cb 0.53 1.30 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 1pjr h ILE 395 CO 0.10 0.33 -0.15 -0.07 -3.07 0.00 0.00 178.15 175.29 1pjr h LEU 396 N 0.32 0.36 -0.00 2.19 3.38 -1.17 -1.20 115.31 119.18 1pjr h LEU 396 Ca 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pjr h LEU 396 Cb 0.54 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1pjr h LEU 396 CO 0.04 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1pjr h ALA 397 N 1.50 0.01 -0.33 1.53 0.00 -0.66 0.10 119.26 121.41 1pjr h ALA 397 Ca 0.06 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1pjr h ALA 397 Cb 0.48 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1pjr h ALA 397 CO 0.03 -0.39 -0.16 1.88 0.00 0.00 0.00 179.25 180.60 1pjr h TYR 398 N -0.20 -0.41 -0.56 0.00 0.05 -1.27 -1.09 116.97 113.50 1pjr h TYR 398 Ca 0.00 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1pjr h TYR 398 Cb 0.21 0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1pjr h TYR 398 CO -0.01 -0.24 0.33 -0.07 -1.05 0.00 0.00 178.16 177.12 1pjr h LEU 399 N -0.11 0.67 -0.28 3.88 3.38 -0.99 -1.77 115.31 120.08 1pjr h LEU 399 Ca 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1pjr h LEU 399 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pjr h LEU 399 CO -0.40 0.52 -0.01 0.03 0.09 0.00 0.00 178.44 178.67 1pjr h ARG 400 N 0.77 0.50 0.00 1.13 3.08 0.16 -2.47 114.38 117.55 1pjr h ARG 400 Ca 0.20 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1pjr h ARG 400 Cb -0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1pjr h ARG 400 CO -0.04 0.66 -0.14 -0.39 -1.07 0.00 0.00 179.97 179.00 1pjr h VAL 401 N 0.28 0.36 0.00 2.04 -1.51 -0.77 -0.78 116.25 115.88 1pjr h VAL 401 Ca 0.08 -0.88 -0.08 0.00 -1.23 0.00 0.00 66.70 64.59 1pjr h VAL 401 Cb 0.44 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1pjr h VAL 401 CO 0.02 0.14 -0.39 0.40 -1.23 0.00 0.00 177.57 176.50 1pjr h ILE 402 N 0.00 1.01 0.02 7.19 2.04 -1.18 -2.75 117.51 123.85 1pjr h ILE 402 Ca -0.00 -1.48 -0.29 0.00 1.00 0.00 0.00 64.86 64.09 1pjr h ILE 402 Cb 0.65 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1pjr h ILE 402 CO 0.02 0.38 -1.63 0.00 0.00 0.00 0.00 178.15 176.92 1pjr h ALA 403 N 1.61 0.65 -2.18 1.87 0.00 -0.86 -3.43 119.26 116.92 1pjr h ALA 403 Ca -0.00 -1.36 -0.33 0.00 0.00 0.00 0.00 54.91 53.22 1pjr h ALA 403 Cb 0.83 0.41 -0.33 0.00 0.00 0.00 0.00 17.79 18.70 1pjr h ALA 403 CO 0.05 1.48 -0.64 1.21 0.00 0.00 0.00 179.25 181.35 1pjr s ASN 404 N -6.34 1.69 0.00 0.00 3.84 -0.38 -5.03 114.94 108.72 1pjr s ASN 404 Ca -0.06 -0.73 0.11 0.00 0.21 0.00 0.00 52.86 52.39 1pjr s ASN 404 Cb 0.08 0.49 0.61 0.00 -0.55 0.00 0.00 41.25 41.87 1pjr s ASN 404 CO 0.82 -0.39 1.20 -2.65 -2.79 0.00 0.00 177.10 173.30 1pjr n PRO 405 N 5.31 0.23 -0.85 0.43 -0.02 -1.04 -2.18 135.00 136.88 1pjr n PRO 405 Ca -0.02 0.11 -0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1pjr n PRO 405 Cb 0.46 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.75 1pjr n PRO 405 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pjr n ASP 406 N -1.18 4.53 -4.48 2.55 8.00 -1.26 -3.69 116.55 121.02 1pjr n ASP 406 Ca 0.07 -3.19 -0.43 0.00 0.71 0.00 0.00 54.79 51.94 1pjr n ASP 406 Cb 0.07 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 1pjr n ASP 406 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pjr s ASP 407 N -1.37 6.60 0.54 -2.24 -1.08 -0.93 -4.83 116.67 113.37 1pjr s ASP 407 Ca 0.51 -1.91 0.22 0.00 -0.52 0.00 0.00 52.55 50.85 1pjr s ASP 407 Cb 0.41 -2.45 1.48 0.00 -1.46 0.00 0.00 42.92 40.91 1pjr s ASP 407 CO 0.11 -1.18 2.17 0.44 0.52 0.00 0.00 175.17 177.24 1pjr h ASP 408 N 9.05 0.00 0.19 -0.34 3.32 -1.90 -1.12 116.42 125.61 1pjr h ASP 408 Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1pjr h ASP 408 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1pjr h ASP 408 CO 1.20 0.03 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.58 1pjr h LEU 409 N 0.00 -0.21 -0.89 1.55 3.38 -1.99 0.04 115.31 117.19 1pjr h LEU 409 Ca -0.00 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1pjr h LEU 409 Cb 0.05 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1pjr h LEU 409 CO 0.00 0.27 0.55 0.28 0.09 0.00 0.00 178.44 179.64 1pjr h SER 410 N -0.77 1.05 -0.24 -0.43 0.02 -1.86 -1.58 113.55 109.74 1pjr h SER 410 Ca -0.03 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1pjr h SER 410 Cb 0.51 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1pjr h SER 410 CO 0.04 0.79 0.16 0.25 -1.14 0.00 0.00 176.83 176.93 1pjr h LEU 411 N 1.21 0.28 -0.71 5.07 7.12 -1.09 -2.27 115.31 124.94 1pjr h LEU 411 Ca 0.32 -0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.23 1pjr h LEU 411 Cb -0.08 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 39.95 1pjr h LEU 411 CO -0.06 0.22 0.12 -0.07 -0.13 0.00 0.00 178.44 178.51 1pjr h LEU 412 N 0.32 1.06 -0.95 2.25 3.38 -0.79 0.19 115.31 120.77 1pjr h LEU 412 Ca 0.09 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1pjr h LEU 412 Cb -0.02 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.38 1pjr h LEU 412 CO -0.02 1.05 0.60 -0.09 0.09 0.00 0.00 178.44 180.07 1pjr h ARG 413 N 1.04 1.04 -0.13 1.13 2.43 -1.07 -3.16 114.38 115.66 1pjr h ARG 413 Ca 0.21 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1pjr h ARG 413 Cb 0.43 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1pjr h ARG 413 CO 0.01 0.69 0.00 0.44 -1.51 0.00 0.00 179.97 179.60 1pjr n ILE 414 N -4.57 0.20 -0.19 1.20 -5.35 -0.87 -4.55 119.36 105.22 1pjr n ILE 414 Ca 0.15 -0.60 0.19 0.00 -0.27 0.00 0.00 62.75 62.22 1pjr n ILE 414 Cb 0.21 1.20 0.55 0.00 -1.74 0.00 0.00 39.64 39.85 1pjr n ILE 414 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 1pjr h ILE 415 N 3.45 0.70 -0.84 7.28 3.07 -0.61 -2.98 117.51 127.58 1pjr h ILE 415 Ca 0.00 -0.11 -0.41 0.00 1.55 0.00 0.00 64.86 65.89 1pjr h ILE 415 Cb 0.77 0.35 -0.41 0.00 -0.27 0.00 0.00 36.82 37.25 1pjr h ILE 415 CO 0.00 0.06 -1.00 -3.20 -1.05 0.00 0.00 178.15 172.96 1pjr n ASN 416 N -4.46 2.91 -3.83 2.16 4.05 -1.26 -4.91 115.26 109.92 1pjr n ASN 416 Ca 0.17 -2.91 -0.26 0.00 0.45 0.00 0.00 54.58 52.03 1pjr n ASN 416 Cb 0.68 -0.45 -0.17 0.00 1.23 0.00 0.00 39.78 41.06 1pjr n ASN 416 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1pjr s VAL 417 N -4.14 0.78 0.90 3.44 0.11 -1.13 -2.89 120.40 117.47 1pjr s VAL 417 Ca 0.37 -0.36 -0.12 0.00 -2.93 0.00 0.00 61.98 58.94 1pjr s VAL 417 Cb 0.39 -0.99 0.13 0.00 -1.53 0.00 0.00 36.38 34.38 1pjr s VAL 417 CO -0.03 0.13 1.10 -2.16 -3.33 0.00 0.00 175.10 170.80 1pjr s PRO 418 N 1.78 1.20 -1.12 1.54 0.04 -1.26 -4.89 135.00 132.29 1pjr s PRO 418 Ca 0.02 0.71 -0.19 0.00 0.04 0.00 0.00 61.00 61.58 1pjr s PRO 418 Cb -0.14 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.68 1pjr s PRO 418 CO -0.07 -2.25 1.46 -1.59 0.04 0.00 0.00 177.00 174.58 1pjr s LYS 419 N -4.99 3.81 -0.47 4.56 0.00 -1.14 -4.89 119.74 116.62 1pjr s LYS 419 Ca 0.63 -1.82 -0.42 0.00 0.00 0.00 0.00 55.97 54.37 1pjr s LYS 419 Cb -0.17 -5.25 -0.17 0.00 0.00 0.00 0.00 37.83 32.23 1pjr s LYS 419 CO 0.56 -2.04 2.15 0.54 0.00 0.00 0.00 175.35 176.57 1pjr n ARG 420 N 7.56 0.24 0.21 1.78 1.74 -1.05 -4.90 116.66 122.22 1pjr n ARG 420 Ca 0.36 0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 57.36 1pjr n ARG 420 Cb 0.47 -1.71 -0.07 0.00 -1.02 0.00 0.00 32.46 30.13 1pjr n ARG 420 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1pjr h GLY 421 N 9.76 -0.54 -5.65 -0.13 0.00 -1.90 -3.33 103.07 101.29 1pjr h GLY 421 Ca -0.14 0.23 -0.65 0.00 0.00 0.00 0.00 47.33 46.77 1pjr h GLY 421 CO 1.08 -0.21 -0.70 -1.50 0.00 0.00 0.00 176.54 175.21 1pjr s ILE 422 N -6.10 3.65 0.00 2.60 2.07 -1.26 -4.82 121.20 117.34 1pjr s ILE 422 Ca -0.16 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.63 1pjr s ILE 422 Cb 0.05 -2.57 0.00 0.00 0.13 0.00 0.00 42.46 40.08 1pjr s ILE 422 CO 0.64 0.52 0.00 0.61 -1.91 0.00 0.00 174.94 174.80 1pjr n GLY 423 N 3.27 2.67 0.00 1.50 0.00 -1.26 -4.77 105.19 106.59 1pjr n GLY 423 Ca -0.18 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1pjr n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjr n ALA 424 N 0.00 0.00 -2.21 4.61 0.00 -1.25 -4.89 120.51 116.77 1pjr n ALA 424 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1pjr n ALA 424 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1pjr n ALA 424 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pjr s SER 425 N 0.00 6.18 -0.39 0.00 1.04 -1.26 -4.79 113.70 114.48 1pjr s SER 425 Ca 0.00 1.05 0.03 0.00 0.48 0.00 0.00 55.95 57.52 1pjr s SER 425 Cb 0.00 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.70 1pjr s SER 425 CO 0.00 -1.52 0.12 -0.89 0.98 0.00 0.00 173.24 171.93 1pjr s THR 426 N 5.94 2.18 -0.01 2.02 2.01 -1.26 -2.54 115.64 123.97 1pjr s THR 426 Ca 0.69 -2.54 0.05 0.00 0.31 0.00 0.00 61.69 60.20 1pjr s THR 426 Cb -0.18 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1pjr s THR 426 CO 0.33 -0.68 -0.15 -0.63 -0.69 0.00 0.00 174.62 172.80 1pjr s ILE 427 N 0.61 2.97 -0.46 1.82 1.01 -1.26 -4.93 121.20 120.97 1pjr s ILE 427 Ca 0.13 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.94 1pjr s ILE 427 Cb -0.21 -2.20 0.20 0.00 0.01 0.00 0.00 42.46 40.26 1pjr s ILE 427 CO -0.07 0.49 0.61 -0.67 0.00 0.00 0.00 174.94 175.29 1pjr n ASP 428 N 1.99 -1.81 -0.18 3.58 -0.08 -1.26 -4.92 116.55 113.86 1pjr n ASP 428 Ca -0.17 -2.79 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 1pjr n ASP 428 Cb 0.52 0.65 0.00 0.00 2.34 0.00 0.00 41.12 44.63 1pjr n ASP 428 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1pjr n LEU 441 N 2.38 0.00 0.11 -2.67 7.94 -1.26 -5.18 117.00 118.33 1pjr n LEU 441 Ca 0.20 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.09 1pjr n LEU 441 Cb 0.54 -0.27 0.25 0.00 0.53 0.00 0.00 43.42 44.47 1pjr n LEU 441 CO 0.06 0.00 0.66 0.15 -1.11 0.00 0.00 177.39 177.15 1pjr h PHE 442 N 0.18 0.23 -0.12 1.96 3.57 -1.94 -3.07 116.94 117.73 1pjr h PHE 442 Ca 0.00 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1pjr h PHE 442 Cb 0.00 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1pjr h PHE 442 CO 0.00 0.57 0.01 0.93 -2.23 0.00 0.00 178.31 177.59 1pjr h GLU 443 N 0.17 0.21 -0.76 1.11 5.08 -2.01 -3.11 114.58 115.27 1pjr h GLU 443 Ca 0.02 -0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.48 1pjr h GLU 443 Cb 0.78 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1pjr h GLU 443 CO 0.06 0.43 0.51 0.00 -1.00 0.00 0.00 179.01 179.02 1pjr h ALA 444 N 0.77 2.23 0.00 3.43 0.00 -1.91 0.57 119.26 124.36 1pjr h ALA 444 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pjr h ALA 444 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pjr h ALA 444 CO 0.00 -0.44 -0.03 -0.07 0.00 0.00 0.00 179.25 178.71 1pjr h LEU 445 N 0.33 0.00 0.03 0.00 -0.00 -1.47 -2.58 115.31 111.63 1pjr h LEU 445 Ca 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.25 1pjr h LEU 445 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 1pjr h LEU 445 CO -0.11 0.03 -0.01 1.23 -0.00 0.00 0.00 178.44 179.58 1pjr h GLY 446 N 0.74 -0.04 -4.00 0.83 0.00 0.16 -3.32 103.07 97.43 1pjr h GLY 446 Ca -0.00 0.02 -0.24 0.00 0.00 0.00 0.00 47.33 47.11 1pjr h GLY 446 CO 0.00 -0.02 -0.17 1.18 0.00 0.00 0.00 176.54 177.54 1pjr n GLU 447 N -4.73 1.98 0.05 4.80 1.02 -0.98 -4.49 120.64 118.29 1pjr n GLU 447 Ca -0.06 -1.20 0.11 0.00 -0.02 0.00 0.00 57.16 55.99 1pjr n GLU 447 Cb 0.26 -1.93 0.45 0.00 -0.02 0.00 0.00 31.44 30.21 1pjr n GLU 447 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1pjr n LEU 448 N 2.01 0.32 -3.93 -4.62 -0.00 -1.02 -3.41 117.00 106.34 1pjr n LEU 448 Ca 0.40 0.56 -0.43 0.00 -0.00 0.00 0.00 56.01 56.54 1pjr n LEU 448 Cb 0.80 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1pjr n LEU 448 CO 0.16 -0.25 1.88 -0.62 -0.00 0.00 0.00 177.39 178.56 1pjr n GLU 449 N -1.83 3.61 0.24 1.47 1.02 -1.26 -3.23 120.64 120.66 1pjr n GLU 449 Ca 0.04 -3.58 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 1pjr n GLU 449 Cb 0.28 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 1pjr n GLU 449 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1pjr n MET 450 N 4.02 0.00 -0.00 3.49 1.56 -1.22 -4.89 117.12 120.08 1pjr n MET 450 Ca 0.39 0.00 0.21 0.00 -0.27 0.00 0.00 57.70 58.04 1pjr n MET 450 Cb 0.37 0.00 0.71 0.00 2.15 0.00 0.00 33.22 36.45 1pjr n MET 450 CO 0.00 0.00 0.00 -0.84 -0.73 0.00 0.00 175.97 174.40 1pjr h ILE 451 N 0.00 0.63 0.00 1.12 -2.65 -1.74 -3.45 117.51 111.42 1pjr h ILE 451 Ca 0.00 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.89 1pjr h ILE 451 Cb 0.00 0.70 0.00 0.00 -2.05 0.00 0.00 36.82 35.47 1pjr h ILE 451 CO 0.00 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.79 1pjr n GLY 452 N -1.62 2.20 0.00 0.16 0.00 -1.25 -4.97 105.19 99.72 1pjr n GLY 452 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1pjr n GLY 452 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pjr n LEU 453 N 0.00 0.00 -3.64 0.99 -0.00 -1.26 -4.53 117.00 108.56 1pjr n LEU 453 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 1pjr n LEU 453 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.25 1pjr n LEU 453 CO 0.00 0.00 1.72 0.61 -0.00 0.00 0.00 177.39 179.72 1pjr n GLY 454 N 0.00 -0.40 0.00 1.47 0.00 -1.26 -3.94 105.19 101.05 1pjr n GLY 454 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1pjr n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjr n ALA 455 N 5.43 0.00 -0.18 4.61 0.00 -1.26 -1.25 120.51 127.86 1pjr n ALA 455 Ca 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.91 1pjr n ALA 455 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.56 1pjr n ALA 455 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1pjr h LYS 456 N 0.00 0.75 -0.27 0.00 1.63 -1.99 -0.48 116.57 116.21 1pjr h LYS 456 Ca 0.00 -0.12 -0.12 0.00 -0.85 0.00 0.00 60.65 59.56 1pjr h LYS 456 Cb 0.00 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1pjr h LYS 456 CO 0.00 0.64 -0.31 0.00 -3.45 0.00 0.00 179.45 176.33 1pjr h ALA 457 N 1.07 0.95 -0.12 5.00 0.00 -1.45 0.14 119.26 124.85 1pjr h ALA 457 Ca 0.17 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1pjr h ALA 457 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1pjr h ALA 457 CO -0.02 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.92 1pjr n ALA 458 N -2.50 2.87 0.09 0.00 0.00 -0.29 -2.60 120.51 118.09 1pjr n ALA 458 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1pjr n ALA 458 Cb 0.46 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1pjr n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pjr n GLY 459 N 0.31 -0.19 0.55 0.00 0.00 -0.62 -4.42 105.19 100.82 1pjr n GLY 459 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1pjr n GLY 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pjr n ALA 460 N -3.25 1.67 0.00 4.61 0.00 0.44 -1.12 120.51 122.86 1pjr n ALA 460 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pjr n ALA 460 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1pjr n ALA 460 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pjr n LEU 461 N 0.33 0.58 -0.10 0.00 4.77 -1.07 -4.14 117.00 117.38 1pjr n LEU 461 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1pjr n LEU 461 Cb 0.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1pjr n LEU 461 CO 0.00 -0.04 1.00 0.00 -1.33 0.00 0.00 177.39 177.02 1pjr h ALA 462 N 0.00 0.42 -0.23 -1.18 0.00 -1.33 0.11 119.26 117.04 1pjr h ALA 462 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1pjr h ALA 462 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1pjr h ALA 462 CO 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 179.25 179.17 1pjr h ALA 463 N 1.11 0.22 -0.42 0.00 0.00 -1.50 -0.31 119.26 118.35 1pjr h ALA 463 Ca 0.12 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1pjr h ALA 463 Cb -0.03 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1pjr h ALA 463 CO -0.02 -0.40 0.11 0.35 0.00 0.00 0.00 179.25 179.28 1pjr h PHE 464 N 0.11 0.19 -0.80 0.00 3.57 -1.64 -0.24 116.94 118.13 1pjr h PHE 464 Ca 0.11 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1pjr h PHE 464 Cb 0.12 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1pjr h PHE 464 CO -0.17 0.04 0.52 -0.09 -2.23 0.00 0.00 178.31 176.39 1pjr h ARG 465 N 0.25 1.03 -0.39 1.11 2.43 -0.10 -2.04 114.38 116.68 1pjr h ARG 465 Ca 0.20 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1pjr h ARG 465 Cb 0.23 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1pjr h ARG 465 CO -0.24 0.68 -0.33 1.03 -1.51 0.00 0.00 179.97 179.60 1pjr h SER 466 N 1.06 0.92 -0.39 -3.80 0.87 -0.05 -0.23 113.55 111.93 1pjr h SER 466 Ca 0.30 -0.39 0.07 0.00 -1.23 0.00 0.00 61.79 60.54 1pjr h SER 466 Cb -0.10 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 61.54 1pjr h SER 466 CO -0.07 1.16 -0.03 1.56 -0.53 0.00 0.00 176.83 178.92 1pjr h GLN 467 N 0.73 0.07 -0.28 2.24 1.08 -0.76 -1.51 115.11 116.68 1pjr h GLN 467 Ca 0.07 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1pjr h GLN 467 Cb 0.90 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 1pjr h GLN 467 CO 0.08 0.04 0.16 1.25 -0.95 0.00 0.00 178.83 179.42 1pjr h LEU 468 N 0.07 0.34 -0.54 1.46 6.46 -1.14 -0.56 115.31 121.39 1pjr h LEU 468 Ca 0.19 -0.07 0.09 0.00 -0.12 0.00 0.00 57.88 57.97 1pjr h LEU 468 Cb 0.28 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.05 1pjr h LEU 468 CO -0.35 0.31 0.14 -0.33 -0.62 0.00 0.00 178.44 177.59 1pjr h GLU 469 N 0.34 0.27 -0.14 1.25 5.08 -0.49 -1.53 114.58 119.37 1pjr h GLU 469 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1pjr h GLU 469 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1pjr h GLU 469 CO -0.02 0.18 0.09 1.96 -1.00 0.00 0.00 179.01 180.22 1pjr h GLN 470 N 0.28 0.19 -0.87 2.33 4.20 -0.85 -1.84 115.11 118.55 1pjr h GLN 470 Ca 0.27 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1pjr h GLN 470 Cb 0.36 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1pjr h GLN 470 CO -0.33 0.15 0.50 -1.49 -0.67 0.00 0.00 178.83 176.99 1pjr h TRP 471 N 0.17 1.17 -0.11 2.96 6.55 -0.80 0.15 115.95 126.04 1pjr h TRP 471 Ca 0.05 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.86 1pjr h TRP 471 Cb 0.01 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 27.92 1pjr h TRP 471 CO -0.06 0.79 -0.02 1.15 -1.05 0.00 0.00 178.44 179.25 1pjr h THR 472 N 1.21 1.08 -0.03 1.49 2.02 -0.97 -1.56 112.91 116.15 1pjr h THR 472 Ca 0.31 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1pjr h THR 472 Cb -0.01 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1pjr h THR 472 CO -0.05 0.11 -0.04 1.56 0.37 0.00 0.00 175.52 177.47 1pjr h GLN 473 N 0.15 0.07 -0.94 6.66 7.50 -0.26 -3.33 115.11 124.96 1pjr h GLN 473 Ca 0.04 -0.04 0.23 0.00 0.50 0.00 0.00 58.65 59.37 1pjr h GLN 473 Cb 0.14 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.55 1pjr h GLN 473 CO 0.00 0.58 0.49 -0.07 -1.50 0.00 0.00 178.83 178.34 1pjr h LEU 474 N -0.43 0.50 0.00 1.46 3.38 -0.04 -2.36 115.31 117.83 1pjr h LEU 474 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pjr h LEU 474 Cb 0.57 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1pjr h LEU 474 CO 0.01 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1pjr n GLN 475 N -4.96 0.01 0.00 1.13 10.64 -0.97 -2.22 117.38 121.02 1pjr n GLN 475 Ca 0.24 0.20 0.12 0.00 -1.83 0.00 0.00 57.00 55.73 1pjr n GLN 475 Cb 0.69 -1.50 0.26 0.00 -0.86 0.00 0.00 30.24 28.82 1pjr n GLN 475 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1pjr n GLU 476 N -1.20 0.27 -0.05 2.61 1.02 -0.89 -4.41 120.64 118.00 1pjr n GLU 476 Ca 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1pjr n GLU 476 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1pjr n GLU 476 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1pjr n TYR 477 N -1.22 0.00 -4.28 -0.32 0.18 -0.94 -5.09 117.16 105.49 1pjr n TYR 477 Ca 0.07 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.65 1pjr n TYR 477 Cb 0.34 0.01 -0.12 0.00 -0.38 0.00 0.00 39.34 39.19 1pjr n TYR 477 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1pjr s VAL 478 N 0.00 1.60 0.66 -3.48 0.11 -1.11 -5.14 120.40 113.04 1pjr s VAL 478 Ca 0.00 -1.73 -0.11 0.00 -2.93 0.00 0.00 61.98 57.21 1pjr s VAL 478 Cb 0.00 -1.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.21 1pjr s VAL 478 CO 0.00 -0.28 1.06 -0.94 -3.33 0.00 0.00 175.10 171.61 1pjr s SER 479 N -2.36 5.82 0.24 3.54 1.04 -1.26 -4.80 113.70 115.92 1pjr s SER 479 Ca 0.10 1.30 -0.05 0.00 0.48 0.00 0.00 55.95 57.78 1pjr s SER 479 Cb -0.07 -2.23 0.32 0.00 0.10 0.00 0.00 66.02 64.14 1pjr s SER 479 CO 0.05 -1.12 1.87 0.58 0.98 0.00 0.00 173.24 175.59 1pjr h VAL 480 N -0.50 1.09 -0.20 5.02 2.07 -1.93 0.17 116.25 121.98 1pjr h VAL 480 Ca -0.44 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1pjr h VAL 480 Cb 1.22 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1pjr h VAL 480 CO 0.62 0.20 0.07 0.74 0.02 0.00 0.00 177.57 179.22 1pjr h THR 481 N 1.07 1.17 -0.65 2.57 2.02 -1.93 -0.16 112.91 116.99 1pjr h THR 481 Ca 0.38 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 1pjr h THR 481 Cb 0.10 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1pjr h THR 481 CO -0.15 0.17 0.06 -0.33 0.37 0.00 0.00 175.52 175.64 1pjr h GLU 482 N 0.16 1.11 -0.04 6.66 5.08 -1.74 -1.14 114.58 124.66 1pjr h GLU 482 Ca 0.06 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1pjr h GLU 482 Cb 0.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1pjr h GLU 482 CO -0.00 1.04 -0.01 1.25 -1.00 0.00 0.00 179.01 180.28 1pjr h LEU 483 N 1.02 -0.04 -1.06 1.33 5.85 -0.60 0.44 115.31 122.25 1pjr h LEU 483 Ca 0.19 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1pjr h LEU 483 Cb 0.50 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1pjr h LEU 483 CO 0.02 -0.01 0.62 0.58 -0.34 0.00 0.00 178.44 179.30 1pjr h VAL 484 N 0.00 1.24 -0.07 1.05 2.07 -0.65 0.59 116.25 120.48 1pjr h VAL 484 Ca 0.02 -0.46 -0.14 0.00 0.82 0.00 0.00 66.70 66.94 1pjr h VAL 484 Cb 0.03 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 1pjr h VAL 484 CO -0.04 0.24 -0.60 -0.33 0.02 0.00 0.00 177.57 176.86 1pjr h GLU 485 N 1.28 0.24 -0.13 1.57 5.08 -0.83 -1.98 114.58 119.81 1pjr h GLU 485 Ca 0.34 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1pjr h GLU 485 Cb -0.13 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1pjr h GLU 485 CO -0.07 0.77 -0.00 1.49 -1.00 0.00 0.00 179.01 180.19 1pjr h GLU 486 N 0.18 0.24 0.26 2.33 4.57 0.36 -1.91 114.58 120.60 1pjr h GLU 486 Ca -0.00 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1pjr h GLU 486 Cb 1.10 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1pjr h GLU 486 CO 0.09 0.48 -0.17 0.28 -1.18 0.00 0.00 179.01 178.52 1pjr h VAL 487 N -0.03 0.65 -0.35 0.32 2.07 -0.94 -0.82 116.25 117.15 1pjr h VAL 487 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 1pjr h VAL 487 Cb 0.38 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1pjr h VAL 487 CO 0.01 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.77 1pjr h LEU 488 N -0.41 0.07 0.00 2.57 4.07 -1.27 0.73 115.31 121.07 1pjr h LEU 488 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1pjr h LEU 488 Cb 0.35 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1pjr h LEU 488 CO 0.02 0.04 -0.09 -0.78 -1.08 0.00 0.00 178.44 176.55 1pjr h ASP 489 N 0.08 0.00 0.54 -0.43 1.82 -1.14 -1.85 116.42 115.43 1pjr h ASP 489 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1pjr h ASP 489 Cb 0.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1pjr h ASP 489 CO -0.01 0.39 0.00 0.11 -1.61 0.00 0.00 179.24 178.11 1pjr h LYS 490 N -0.69 0.00 -0.00 0.28 6.56 -1.07 -1.81 116.57 119.84 1pjr h LYS 490 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1pjr h LYS 490 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1pjr h LYS 490 CO 0.00 0.00 -0.07 -1.13 -2.06 0.00 0.00 179.45 176.19 1pjr n SER 491 N -2.90 0.14 0.00 0.86 3.41 0.24 -4.89 113.62 110.48 1pjr n SER 491 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1pjr n SER 491 Cb 0.19 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1pjr n SER 491 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pjr n GLY 492 N 1.38 0.64 0.07 5.00 0.00 -0.68 -4.38 105.19 107.23 1pjr n GLY 492 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1pjr n GLY 492 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pjr h TYR 493 N 0.00 0.09 -0.61 1.61 5.03 -1.74 -2.22 116.97 119.13 1pjr h TYR 493 Ca 0.00 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.30 1pjr h TYR 493 Cb 0.00 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 1pjr h TYR 493 CO 0.00 0.38 0.40 -0.09 -1.32 0.00 0.00 178.16 177.54 1pjr h ARG 494 N -0.23 0.80 0.00 1.82 2.43 -1.64 -2.81 114.38 114.74 1pjr h ARG 494 Ca 0.01 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1pjr h ARG 494 Cb 0.35 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1pjr h ARG 494 CO 0.00 0.53 -0.22 1.49 -1.51 0.00 0.00 179.97 180.26 1pjr h GLU 495 N 0.82 0.00 0.06 0.20 4.57 -1.82 -0.66 114.58 117.76 1pjr h GLU 495 Ca 0.23 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1pjr h GLU 495 Cb -0.09 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1pjr h GLU 495 CO -0.05 0.22 -0.16 1.98 -1.18 0.00 0.00 179.01 179.81 1pjr h MET 496 N 0.00 -0.29 -0.23 1.92 4.05 -1.14 0.22 114.93 119.45 1pjr h MET 496 Ca -0.00 0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.36 1pjr h MET 496 Cb 1.01 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 1pjr h MET 496 CO 0.03 -0.19 -0.21 -0.07 0.23 0.00 0.00 176.91 176.70 1pjr h LEU 497 N -0.30 0.41 -1.21 3.39 3.38 -1.30 -2.00 115.31 117.69 1pjr h LEU 497 Ca 0.03 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1pjr h LEU 497 Cb 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1pjr h LEU 497 CO -0.11 0.63 -0.33 0.11 0.09 0.00 0.00 178.44 178.82 1pjr h LYS 498 N 0.38 0.11 -0.03 1.13 1.57 -0.69 -3.08 116.57 115.95 1pjr h LYS 498 Ca 0.06 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1pjr h LYS 498 Cb 0.58 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1pjr h LYS 498 CO 0.04 0.43 -0.52 0.00 -0.57 0.00 0.00 179.45 178.84 1pjr h ALA 499 N 1.57 1.09 -0.80 3.86 0.00 0.18 -3.32 119.26 121.85 1pjr h ALA 499 Ca 0.01 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1pjr h ALA 499 Cb 0.64 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1pjr h ALA 499 CO 0.05 0.65 0.52 0.93 0.00 0.00 0.00 179.25 181.40 1pjr h GLU 500 N 0.06 0.69 -5.02 0.00 5.08 -1.41 -3.46 114.58 110.52 1pjr h GLU 500 Ca -0.00 -0.04 -0.38 0.00 -1.00 0.00 0.00 59.36 57.94 1pjr h GLU 500 Cb 0.93 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1pjr h GLU 500 CO 0.07 0.46 -0.55 0.54 -1.00 0.00 0.00 179.01 178.52 1pjr n ARG 501 N -4.51 -3.78 -4.68 2.33 1.74 -1.25 -4.19 116.66 102.31 1pjr n ARG 501 Ca 0.14 0.62 -0.31 0.00 -0.77 0.00 0.00 57.85 57.53 1pjr n ARG 501 Cb 0.35 -5.37 -0.08 0.00 -1.02 0.00 0.00 32.46 26.33 1pjr n ARG 501 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pjr s THR 502 N -2.99 1.17 0.17 0.55 -4.23 -1.26 -5.03 115.64 104.01 1pjr s THR 502 Ca 0.34 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 1pjr s THR 502 Cb -0.17 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.40 1pjr s THR 502 CO 0.42 0.00 1.77 -0.29 -0.54 0.00 0.00 174.62 175.98 1pjr h ILE 503 N 1.52 1.19 -0.28 2.99 6.09 -2.00 -2.46 117.51 124.56 1pjr h ILE 503 Ca -0.42 -0.50 -0.01 0.00 -1.37 0.00 0.00 64.86 62.55 1pjr h ILE 503 Cb 1.29 0.51 -0.01 0.00 0.47 0.00 0.00 36.82 39.09 1pjr h ILE 503 CO 0.72 0.21 0.12 -0.08 -3.07 0.00 0.00 178.15 176.05 1pjr h GLU 504 N 0.74 0.41 -0.18 2.19 4.81 -1.99 -1.68 114.58 118.88 1pjr h GLU 504 Ca 0.19 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1pjr h GLU 504 Cb 0.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1pjr h GLU 504 CO -0.03 0.42 0.06 0.00 -0.73 0.00 0.00 179.01 178.73 1pjr h ALA 505 N 0.97 0.20 -0.44 2.92 0.00 -1.88 -1.11 119.26 119.93 1pjr h ALA 505 Ca 0.10 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1pjr h ALA 505 Cb 0.15 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1pjr h ALA 505 CO -0.01 -0.37 -0.01 0.37 0.00 0.00 0.00 179.25 179.23 1pjr h GLN 506 N 0.15 0.10 -0.18 0.00 -0.00 -1.17 0.16 115.11 114.16 1pjr h GLN 506 Ca 0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.69 1pjr h GLN 506 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 1pjr h GLN 506 CO -0.08 0.06 -0.02 1.03 0.00 0.00 0.00 178.83 179.82 1pjr h SER 507 N 0.10 0.23 -0.28 -0.69 0.87 -0.99 -1.29 113.55 111.50 1pjr h SER 507 Ca 0.22 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.60 1pjr h SER 507 Cb 0.32 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1pjr h SER 507 CO -0.37 0.30 -0.40 0.03 -0.53 0.00 0.00 176.83 175.86 1pjr h ARG 508 N 0.25 0.77 -0.64 2.24 3.08 0.51 -1.65 114.38 118.94 1pjr h ARG 508 Ca 0.06 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 1pjr h ARG 508 Cb 0.21 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1pjr h ARG 508 CO 0.01 1.08 0.29 -0.07 -1.07 0.00 0.00 179.97 180.21 1pjr h LEU 509 N 0.52 0.86 -0.86 3.04 3.38 -0.41 -2.51 115.31 119.33 1pjr h LEU 509 Ca 0.03 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1pjr h LEU 509 Cb 1.00 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 1pjr h LEU 509 CO 0.09 0.76 0.54 -0.33 0.09 0.00 0.00 178.44 179.59 1pjr h GLU 510 N 0.89 0.95 0.00 1.13 5.08 -1.11 -1.10 114.58 120.41 1pjr h GLU 510 Ca 0.22 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1pjr h GLU 510 Cb 0.14 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1pjr h GLU 510 CO -0.02 0.63 -0.25 -0.91 -1.00 0.00 0.00 179.01 177.45 1pjr h ASN 511 N 0.97 0.00 -0.14 1.42 4.21 -1.07 -2.29 115.58 118.69 1pjr h ASN 511 Ca 0.38 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.71 1pjr h ASN 511 Cb 0.18 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.39 1pjr h ASN 511 CO -0.18 0.25 -0.61 0.25 -1.29 0.00 0.00 177.43 175.86 1pjr h LEU 512 N 0.00 0.78 -0.74 1.61 5.85 -0.80 -1.86 115.31 120.15 1pjr h LEU 512 Ca -0.00 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.11 1pjr h LEU 512 Cb 0.56 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1pjr h LEU 512 CO 0.03 1.27 0.48 0.44 -0.34 0.00 0.00 178.44 180.32 1pjr h ASP 513 N 0.33 0.82 -0.80 1.25 3.32 -1.15 -1.33 116.42 118.85 1pjr h ASP 513 Ca -0.04 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1pjr h ASP 513 Cb 1.24 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1pjr h ASP 513 CO 0.13 0.58 0.53 -0.33 -1.72 0.00 0.00 179.24 178.42 1pjr h GLU 514 N 0.96 1.01 -0.94 3.56 4.39 -1.39 -1.73 114.58 120.44 1pjr h GLU 514 Ca 0.28 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.96 1pjr h GLU 514 Cb -0.07 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.30 1pjr h GLU 514 CO -0.08 0.67 0.61 0.35 -1.16 0.00 0.00 179.01 179.40 1pjr h PHE 515 N 1.04 1.14 0.00 4.33 3.57 -0.38 -2.35 116.94 124.28 1pjr h PHE 515 Ca 0.30 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1pjr h PHE 515 Cb -0.05 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.31 1pjr h PHE 515 CO -0.00 0.65 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.54 1pjr h LEU 516 N 1.17 0.00 -0.97 0.59 3.38 -0.86 -0.48 115.31 118.15 1pjr h LEU 516 Ca 0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 1pjr h LEU 516 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pjr h LEU 516 CO -0.13 0.12 -0.39 0.28 0.09 0.00 0.00 178.44 178.40 1pjr h SER 517 N 0.00 0.25 -0.52 -0.43 0.02 -1.35 -2.17 113.55 109.34 1pjr h SER 517 Ca -0.00 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1pjr h SER 517 Cb 0.28 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1pjr h SER 517 CO 0.01 0.62 -0.13 0.58 -1.14 0.00 0.00 176.83 176.77 1pjr h VAL 518 N 0.20 1.27 -0.18 2.27 2.07 -1.00 -0.59 116.25 120.29 1pjr h VAL 518 Ca 0.02 -1.29 -0.22 0.00 0.82 0.00 0.00 66.70 66.03 1pjr h VAL 518 Cb 0.79 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1pjr h VAL 518 CO 0.06 0.45 -0.73 0.71 0.02 0.00 0.00 177.57 178.08 1pjr h THR 519 N 0.88 1.28 -0.42 2.57 1.35 -1.29 -1.93 112.91 115.36 1pjr h THR 519 Ca 0.13 -1.92 0.04 0.00 -0.55 0.00 0.00 66.41 64.11 1pjr h THR 519 Cb 0.71 1.90 -0.04 0.00 -1.73 0.00 0.00 68.15 68.99 1pjr h THR 519 CO 0.05 0.61 0.20 0.11 -0.25 0.00 0.00 175.52 176.25 1pjr h LYS 520 N 0.57 0.39 -0.80 4.72 1.57 -1.32 -1.17 116.57 120.53 1pjr h LYS 520 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1pjr h LYS 520 Cb 1.36 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 1pjr h LYS 520 CO 0.15 0.26 0.41 1.25 -0.57 0.00 0.00 179.45 180.95 1pjr h HIS 521 N 0.40 1.13 0.71 -1.35 2.76 -1.01 -2.08 115.15 115.71 1pjr h HIS 521 Ca 0.18 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1pjr h HIS 521 Cb 0.10 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.70 1pjr h HIS 521 CO -0.11 0.81 -0.46 0.35 -1.30 0.00 0.00 177.93 177.22 1pjr h PHE 522 N 1.12 -1.24 0.00 5.26 3.57 -0.50 -1.07 116.94 124.09 1pjr h PHE 522 Ca 0.28 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1pjr h PHE 522 Cb 0.08 0.45 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1pjr h PHE 522 CO 0.01 -0.68 0.00 -0.85 -2.23 0.00 0.00 178.31 174.55 1pjr n GLU 523 N -5.59 0.12 -0.00 1.11 0.28 -0.53 -1.39 120.64 114.64 1pjr n GLU 523 Ca -0.14 0.21 -0.12 0.00 -0.16 0.00 0.00 57.16 56.95 1pjr n GLU 523 Cb 0.47 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.70 1pjr n GLU 523 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1pjr h ASN 524 N 0.00 0.13 -0.47 -1.84 -0.26 -0.88 -3.38 115.58 108.88 1pjr h ASN 524 Ca 0.00 -0.25 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1pjr h ASN 524 Cb 0.15 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1pjr h ASN 524 CO 0.00 1.22 0.00 1.33 -1.06 0.00 0.00 177.43 178.92 1pjr n VAL 525 N -3.20 0.84 -4.72 2.81 0.24 -0.45 -4.98 118.33 108.87 1pjr n VAL 525 Ca -0.19 -0.92 -0.28 0.00 -2.04 0.00 0.00 64.34 60.91 1pjr n VAL 525 Cb 1.04 0.64 -0.14 0.00 -1.47 0.00 0.00 33.84 33.91 1pjr n VAL 525 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1pjr s SER 526 N -1.08 2.84 -0.05 -1.34 0.01 -0.61 -5.00 113.70 108.48 1pjr s SER 526 Ca 0.35 -0.58 -0.21 0.00 1.31 0.00 0.00 55.95 56.82 1pjr s SER 526 Cb 0.19 -0.24 -0.31 0.00 0.21 0.00 0.00 66.02 65.86 1pjr s SER 526 CO 0.25 0.20 0.88 0.44 0.41 0.00 0.00 173.24 175.42 1pjr h ASP 527 N 4.72 0.49 -3.54 2.44 5.19 -1.92 -3.40 116.42 120.40 1pjr h ASP 527 Ca -0.45 -0.95 -0.70 0.00 -0.62 0.00 0.00 57.03 54.31 1pjr h ASP 527 Cb 1.15 -0.16 -0.19 0.00 0.18 0.00 0.00 39.33 40.31 1pjr h ASP 527 CO 0.43 1.43 -0.29 -0.62 -3.12 0.00 0.00 179.24 177.07 1pjr s ASP 528 N -7.02 6.17 -0.26 6.45 -1.08 -1.26 -4.93 116.67 114.74 1pjr s ASP 528 Ca -0.14 -0.70 0.13 0.00 -0.52 0.00 0.00 52.55 51.32 1pjr s ASP 528 Cb 0.01 -2.20 0.78 0.00 -1.46 0.00 0.00 42.92 40.05 1pjr s ASP 528 CO 0.83 -0.52 1.75 0.29 0.52 0.00 0.00 175.17 178.05 1pjr n LYS 529 N 5.44 4.40 -2.38 4.34 5.02 -1.26 -4.73 118.16 129.00 1pjr n LYS 529 Ca -0.09 -3.13 -0.37 0.00 -2.02 0.00 0.00 58.31 52.70 1pjr n LYS 529 Cb 0.47 -2.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.23 1pjr n LYS 529 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pjr s SER 530 N -0.96 6.44 0.48 4.39 1.04 -1.26 -4.56 113.70 119.26 1pjr s SER 530 Ca 0.54 2.20 0.25 0.00 0.48 0.00 0.00 55.95 59.42 1pjr s SER 530 Cb 0.42 -2.60 1.29 0.00 0.10 0.00 0.00 66.02 65.23 1pjr s SER 530 CO 0.15 -0.72 1.87 0.25 0.98 0.00 0.00 173.24 175.76 1pjr h LEU 531 N 2.28 0.21 -0.11 2.42 7.12 -1.93 -0.11 115.31 125.18 1pjr h LEU 531 Ca -0.49 0.03 -0.22 0.00 0.13 0.00 0.00 57.88 57.33 1pjr h LEU 531 Cb 1.23 -0.01 0.01 0.00 -0.53 0.00 0.00 40.66 41.36 1pjr h LEU 531 CO 0.61 0.07 -0.79 0.40 -0.13 0.00 0.00 178.44 178.61 1pjr h ILE 532 N 0.20 1.29 -0.28 4.05 5.03 -1.97 -1.62 117.51 124.21 1pjr h ILE 532 Ca 0.46 -2.01 0.01 0.00 -0.12 0.00 0.00 64.86 63.20 1pjr h ILE 532 Cb 1.47 2.12 -0.02 0.00 -3.03 0.00 0.00 36.82 37.36 1pjr h ILE 532 CO -0.10 0.63 0.16 0.00 -0.68 0.00 0.00 178.15 178.16 1pjr h ALA 533 N 0.50 0.35 -0.27 1.87 0.00 -1.50 -1.98 119.26 118.24 1pjr h ALA 533 Ca -0.07 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1pjr h ALA 533 Cb 1.43 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1pjr h ALA 533 CO 0.16 -0.21 -0.12 0.35 0.00 0.00 0.00 179.25 179.43 1pjr h PHE 534 N 0.34 -0.29 0.00 0.00 3.57 -0.91 0.24 116.94 119.89 1pjr h PHE 534 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1pjr h PHE 534 Cb 0.00 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1pjr h PHE 534 CO -0.08 -0.19 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.65 1pjr h LEU 535 N -0.08 0.00 0.23 0.59 3.38 -0.99 -0.78 115.31 117.66 1pjr h LEU 535 Ca 0.14 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.78 1pjr h LEU 535 Cb 0.29 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 1pjr h LEU 535 CO -0.32 0.10 -1.49 0.74 0.09 0.00 0.00 178.44 177.55 1pjr h THR 536 N 0.00 1.26 -0.48 0.22 2.02 -0.45 -3.19 112.91 112.29 1pjr h THR 536 Ca -0.00 -2.73 0.03 0.00 0.77 0.00 0.00 66.41 64.48 1pjr h THR 536 Cb 0.40 2.99 -0.03 0.00 -1.74 0.00 0.00 68.15 69.76 1pjr h THR 536 CO 0.01 0.83 0.28 -0.78 0.37 0.00 0.00 175.52 176.23 1pjr h ASP 537 N 0.13 0.45 0.00 4.18 1.82 -0.24 -1.09 116.42 121.67 1pjr h ASP 537 Ca -0.25 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1pjr h ASP 537 Cb 2.14 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 42.06 1pjr h ASP 537 CO 0.25 0.32 0.10 0.25 -1.61 0.00 0.00 179.24 178.55 1pjr h LEU 538 N 0.56 0.00 -5.20 2.28 5.85 -1.21 -2.01 115.31 115.58 1pjr h LEU 538 Ca 0.20 0.00 -0.70 0.00 0.84 0.00 0.00 57.88 58.22 1pjr h LEU 538 Cb 0.03 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 40.84 1pjr h LEU 538 CO -0.10 0.00 1.06 0.00 -0.34 0.00 0.00 178.44 179.06 1pjr n ALA 539 N -1.82 6.46 0.00 1.25 0.00 -0.41 -3.53 120.51 122.46 1pjr n ALA 539 Ca -0.02 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.52 1pjr n ALA 539 Cb 0.14 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1pjr n ALA 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pjr n LEU 540 N 0.28 0.00 -2.44 0.00 4.32 -0.76 -4.85 117.00 113.55 1pjr n LEU 540 Ca 0.52 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 56.23 1pjr n LEU 540 Cb 0.33 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1pjr n LEU 540 CO 0.48 -0.08 1.49 0.00 -1.22 0.00 0.00 177.39 178.06 1pjr n ILE 541 N -1.54 3.31 -3.19 -0.08 3.06 -1.18 -5.13 119.36 114.60 1pjr n ILE 541 Ca 0.00 -2.99 0.04 0.00 -2.50 0.00 0.00 62.75 57.30 1pjr n ILE 541 Cb 0.00 -1.41 -0.03 0.00 0.54 0.00 0.00 39.64 38.74 1pjr n ILE 541 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1pjr s SER 542 N -0.27 -0.24 0.00 9.51 0.01 -1.23 -4.98 113.70 116.50 1pjr s SER 542 Ca 0.53 0.22 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1pjr s SER 542 Cb 0.38 1.23 0.00 0.00 0.21 0.00 0.00 66.02 67.84 1pjr s SER 542 CO -0.19 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1pjr n GLY 556 N 5.10 0.19 3.39 3.44 0.00 -1.26 -4.76 105.19 111.28 1pjr n GLY 556 Ca -0.08 -1.79 -0.45 0.00 0.00 0.00 0.00 46.02 43.70 1pjr n GLY 556 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pjr s ASP 557 N -4.00 6.49 -0.08 1.61 2.15 -1.26 -4.79 116.67 116.79 1pjr s ASP 557 Ca 0.00 -1.98 -0.15 0.00 0.43 0.00 0.00 52.55 50.85 1pjr s ASP 557 Cb 0.00 -2.31 0.03 0.00 -0.30 0.00 0.00 42.92 40.34 1pjr s ASP 557 CO 0.00 -0.95 0.37 0.00 -0.17 0.00 0.00 175.17 174.42 1pjr s ALA 558 N 1.98 -0.92 0.36 3.66 0.00 -1.26 -4.61 121.76 120.97 1pjr s ALA 558 Ca 0.20 0.74 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 1pjr s ALA 558 Cb -0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.61 1pjr s ALA 558 CO -0.03 -0.23 1.38 0.08 0.00 0.00 0.00 175.76 176.97 1pjr s VAL 559 N -0.59 2.41 -0.11 0.00 1.01 0.37 -3.53 120.40 119.97 1pjr s VAL 559 Ca -0.07 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1pjr s VAL 559 Cb -0.04 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1pjr s VAL 559 CO 0.03 0.09 -0.14 -0.04 0.00 0.00 0.00 175.10 175.04 1pjr s MET 560 N -1.98 3.19 0.07 2.72 -1.94 -0.66 -1.42 119.30 119.28 1pjr s MET 560 Ca 0.52 -0.70 0.08 0.00 -1.71 0.00 0.00 55.69 53.88 1pjr s MET 560 Cb -0.42 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1pjr s MET 560 CO 0.57 0.29 -0.19 -0.51 -0.01 0.00 0.00 175.02 175.17 1pjr s LEU 561 N 0.13 2.60 0.01 -0.03 1.02 -0.50 -1.23 118.68 120.68 1pjr s LEU 561 Ca -0.07 -0.49 -0.29 0.00 0.02 0.00 0.00 54.13 53.30 1pjr s LEU 561 Cb -0.15 -1.50 0.10 0.00 0.02 0.00 0.00 46.19 44.66 1pjr s LEU 561 CO 0.05 0.23 1.07 0.00 0.02 0.00 0.00 176.35 177.72 1pjr s MET 562 N -1.68 0.75 0.48 1.70 0.23 -1.18 -0.31 119.30 119.29 1pjr s MET 562 Ca 0.15 -0.37 -0.10 0.00 -1.03 0.00 0.00 55.69 54.35 1pjr s MET 562 Cb -0.10 0.29 -0.05 0.00 -1.53 0.00 0.00 34.83 33.43 1pjr s MET 562 CO 0.07 -0.34 0.84 -0.08 -2.03 0.00 0.00 175.02 173.48 1pjr s THR 563 N -2.88 4.78 0.22 3.16 -1.32 -1.26 -2.84 115.64 115.50 1pjr s THR 563 Ca 0.11 0.60 -0.09 0.00 -1.21 0.00 0.00 61.69 61.10 1pjr s THR 563 Cb 0.00 -3.79 0.19 0.00 -1.51 0.00 0.00 72.50 67.39 1pjr s THR 563 CO -0.03 -0.74 1.70 -0.07 -2.21 0.00 0.00 174.62 173.26 1pjr h LEU 564 N 0.65 -0.02 -1.65 9.08 -0.00 -1.58 0.35 115.31 122.14 1pjr h LEU 564 Ca -0.47 0.13 0.12 0.00 -0.00 0.00 0.00 57.88 57.66 1pjr h LEU 564 Cb 1.19 0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.99 1pjr h LEU 564 CO 0.63 -0.01 0.43 0.45 -0.00 0.00 0.00 178.44 179.94 1pjr h HIS 565 N 0.25 0.41 0.00 1.13 3.86 -1.91 -1.60 115.15 117.29 1pjr h HIS 565 Ca 0.34 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1pjr h HIS 565 Cb 0.54 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1pjr h HIS 565 CO -0.26 0.18 0.00 0.00 0.86 0.00 0.00 177.93 178.71 1pjr n ALA 566 N -2.53 2.29 1.22 2.45 0.00 0.10 -3.49 120.51 120.56 1pjr n ALA 566 Ca 0.11 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1pjr n ALA 566 Cb 0.45 -1.45 0.30 0.00 0.00 0.00 0.00 19.45 18.75 1pjr n ALA 566 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pjr n ALA 567 N -1.48 3.04 -1.70 0.00 0.00 -0.60 -4.87 120.51 114.90 1pjr n ALA 567 Ca 0.07 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1pjr n ALA 567 Cb 0.32 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1pjr n ALA 567 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pjr n LYS 568 N -0.21 2.61 0.00 0.00 4.81 -1.23 -1.41 118.16 122.72 1pjr n LYS 568 Ca 0.13 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 1pjr n LYS 568 Cb 0.39 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.67 1pjr n LYS 568 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pjr n GLY 569 N 3.88 2.99 3.89 3.14 0.00 -1.26 -5.05 105.19 112.79 1pjr n GLY 569 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1pjr n GLY 569 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pjr s LEU 570 N 0.00 2.77 -0.02 0.99 1.43 -0.50 -5.09 118.68 118.26 1pjr s LEU 570 Ca 0.00 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1pjr s LEU 570 Cb 0.00 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1pjr s LEU 570 CO 0.00 -1.55 0.05 -1.61 0.23 0.00 0.00 176.35 173.47 1pjr s GLU 571 N -5.41 0.04 0.02 1.70 2.02 -1.26 -4.77 118.70 111.04 1pjr s GLU 571 Ca 0.59 0.09 0.01 0.00 0.02 0.00 0.00 54.97 55.68 1pjr s GLU 571 Cb -0.11 -0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.08 1pjr s GLU 571 CO 0.50 -0.04 -0.04 -0.06 0.02 0.00 0.00 175.26 175.64 1pjr s PHE 572 N 0.22 0.35 0.13 1.61 0.08 -0.35 -5.02 117.98 115.00 1pjr s PHE 572 Ca -0.02 -0.36 -0.22 0.00 0.12 0.00 0.00 56.93 56.45 1pjr s PHE 572 Cb -0.03 -0.23 -0.03 0.00 -0.57 0.00 0.00 43.02 42.16 1pjr s PHE 572 CO -0.01 -0.10 1.68 -1.35 -0.10 0.00 0.00 175.22 175.35 1pjr h PRO 573 N 5.08 -0.13 -5.00 0.24 0.11 -1.85 -0.29 132.00 130.15 1pjr h PRO 573 Ca -0.31 0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.21 1pjr h PRO 573 Cb 1.21 0.03 -0.33 0.00 0.11 0.00 0.00 31.00 32.02 1pjr h PRO 573 CO 0.44 -0.09 -0.85 0.08 -0.21 0.00 0.00 178.00 177.38 1pjr s VAL 574 N -6.16 1.59 -0.10 3.15 1.01 -0.50 -1.99 120.40 117.40 1pjr s VAL 574 Ca -0.14 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1pjr s VAL 574 Cb 0.10 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1pjr s VAL 574 CO 0.68 0.46 -0.19 -0.69 0.00 0.00 0.00 175.10 175.35 1pjr s VAL 575 N 0.44 1.75 -0.20 2.92 1.01 -0.85 -2.10 120.40 123.37 1pjr s VAL 575 Ca -0.15 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1pjr s VAL 575 Cb -0.16 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1pjr s VAL 575 CO 0.06 0.49 0.06 -0.36 0.00 0.00 0.00 175.10 175.35 1pjr s PHE 576 N 0.64 3.17 -0.41 5.22 0.40 -0.40 -1.63 117.98 124.97 1pjr s PHE 576 Ca -0.13 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 55.97 1pjr s PHE 576 Cb -0.16 -2.12 0.05 0.00 0.51 0.00 0.00 43.02 41.29 1pjr s PHE 576 CO 0.04 -0.03 0.26 -0.51 0.70 0.00 0.00 175.22 175.68 1pjr s LEU 577 N 0.79 5.03 0.41 -0.37 1.02 -0.21 -0.82 118.68 124.52 1pjr s LEU 577 Ca 0.03 -1.18 0.02 0.00 0.02 0.00 0.00 54.13 53.03 1pjr s LEU 577 Cb -0.14 -2.05 -0.00 0.00 0.02 0.00 0.00 46.19 44.02 1pjr s LEU 577 CO 0.02 -0.48 0.60 0.27 0.02 0.00 0.00 176.35 176.79 1pjr s ILE 578 N 1.55 4.03 -0.65 -0.59 -4.36 -0.64 -2.81 121.20 117.72 1pjr s ILE 578 Ca 0.03 -0.66 -0.04 0.00 -0.26 0.00 0.00 60.65 59.72 1pjr s ILE 578 Cb -0.21 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1pjr s ILE 578 CO 0.06 -0.27 0.57 0.61 0.24 0.00 0.00 174.94 176.14 1pjr n GLY 579 N -1.93 0.20 2.94 6.27 0.00 -1.22 -4.64 105.19 106.80 1pjr n GLY 579 Ca 0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1pjr n GLY 579 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pjr n MET 580 N -2.68 3.01 -4.61 1.61 2.81 -0.37 -4.01 117.12 112.88 1pjr n MET 580 Ca -0.02 -2.86 -0.22 0.00 -1.81 0.00 0.00 57.70 52.80 1pjr n MET 580 Cb 0.54 -3.29 -0.15 0.00 -0.71 0.00 0.00 33.22 29.60 1pjr n MET 580 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1pjr s GLU 581 N 3.12 1.10 0.19 0.03 2.02 -1.24 -0.97 118.70 122.94 1pjr s GLU 581 Ca 0.48 -0.50 -0.32 0.00 0.02 0.00 0.00 54.97 54.65 1pjr s GLU 581 Cb 0.11 -1.06 -0.12 0.00 0.10 0.00 0.00 34.13 33.16 1pjr s GLU 581 CO -0.04 0.29 1.75 0.39 0.02 0.00 0.00 175.26 177.67 1pjr n GLU 582 N 2.71 2.78 0.00 1.61 -0.58 -0.40 -0.82 120.64 125.94 1pjr n GLU 582 Ca -0.14 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 1pjr n GLU 582 Cb 0.55 -2.86 0.00 0.00 -0.57 0.00 0.00 31.44 28.56 1pjr n GLU 582 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pjr n GLY 583 N 4.03 3.13 0.04 0.62 0.00 -0.01 -4.61 105.19 108.38 1pjr n GLY 583 Ca 0.16 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 1pjr n GLY 583 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pjr h ILE 584 N 0.00 0.00 -2.72 -0.61 5.03 -1.67 -1.26 117.51 116.29 1pjr h ILE 584 Ca 0.00 -0.62 -0.51 0.00 -0.12 0.00 0.00 64.86 63.62 1pjr h ILE 584 Cb 0.00 0.00 -0.39 0.00 -3.03 0.00 0.00 36.82 33.40 1pjr h ILE 584 CO 0.00 0.00 -0.76 0.12 -0.68 0.00 0.00 178.15 176.83 1pjr s PHE 585 N -1.59 0.23 0.15 1.37 5.36 -0.00 -2.74 117.98 120.76 1pjr s PHE 585 Ca -0.05 -0.80 -0.31 0.00 -0.96 0.00 0.00 56.93 54.81 1pjr s PHE 585 Cb 0.01 -0.85 -0.08 0.00 -0.34 0.00 0.00 43.02 41.76 1pjr s PHE 585 CO 0.08 -0.84 1.34 -1.25 -1.46 0.00 0.00 175.22 173.09 1pjr s PRO 586 N 2.13 4.36 0.55 10.12 0.04 -1.25 -3.73 135.00 147.22 1pjr s PRO 586 Ca 0.09 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.96 1pjr s PRO 586 Cb -0.16 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1pjr s PRO 586 CO -0.36 -0.34 1.34 -1.58 0.04 0.00 0.00 177.00 176.10 1pjr s HIS 587 N 0.62 2.31 0.29 0.56 2.46 -1.11 -0.83 115.29 119.58 1pjr s HIS 587 Ca 0.60 1.39 0.05 0.00 0.47 0.00 0.00 55.06 57.58 1pjr s HIS 587 Cb -0.36 -3.76 0.78 0.00 -0.13 0.00 0.00 32.58 29.11 1pjr s HIS 587 CO 0.34 -2.81 1.39 -1.71 -2.47 0.00 0.00 174.74 169.48 1pjr n ASN 588 N -1.06 -0.02 -0.37 9.88 2.85 -0.47 -0.77 115.26 125.30 1pjr n ASN 588 Ca 0.11 1.50 0.03 0.00 -0.11 0.00 0.00 54.58 56.11 1pjr n ASN 588 Cb 0.45 -0.58 0.18 0.00 1.24 0.00 0.00 39.78 41.07 1pjr n ASN 588 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1pjr h ARG 589 N 0.00 1.11 0.00 1.20 3.08 -1.90 -2.73 114.38 115.14 1pjr h ARG 589 Ca 0.58 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.50 1pjr h ARG 589 Cb 1.28 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1pjr h ARG 589 CO -0.80 0.73 -0.33 0.66 -1.07 0.00 0.00 179.97 179.17 1pjr h SER 590 N 1.14 0.00 -0.90 7.04 4.64 -1.26 -3.29 113.55 120.92 1pjr h SER 590 Ca 0.44 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.98 1pjr h SER 590 Cb 0.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 1pjr h SER 590 CO -0.19 0.33 0.61 -0.07 -0.87 0.00 0.00 176.83 176.63 1pjr h LEU 591 N 0.00 0.33 0.00 5.97 4.07 -1.52 -0.64 115.31 123.52 1pjr h LEU 591 Ca -0.00 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 1pjr h LEU 591 Cb 0.67 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 1pjr h LEU 591 CO 0.04 0.13 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.09 1pjr h GLU 592 N 0.33 0.00 -5.78 1.13 4.39 -1.77 -3.47 114.58 109.41 1pjr h GLU 592 Ca 0.47 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.58 1pjr h GLU 592 Cb 1.28 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.85 1pjr h GLU 592 CO -0.15 0.68 0.34 0.34 -1.16 0.00 0.00 179.01 179.06 1pjr s ASP 593 N -6.06 6.81 0.21 1.42 2.15 -0.25 -4.98 116.67 115.98 1pjr s ASP 593 Ca -0.14 1.00 -0.08 0.00 0.43 0.00 0.00 52.55 53.75 1pjr s ASP 593 Cb -0.01 -2.41 0.15 0.00 -0.30 0.00 0.00 42.92 40.34 1pjr s ASP 593 CO 0.47 -0.41 1.78 0.44 -0.17 0.00 0.00 175.17 177.28 1pjr h ASP 594 N 7.55 1.06 -0.43 -0.34 3.32 -1.91 -0.48 116.42 125.19 1pjr h ASP 594 Ca -0.27 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1pjr h ASP 594 Cb 1.12 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1pjr h ASP 594 CO 0.83 0.94 0.09 0.44 -1.72 0.00 0.00 179.24 179.82 1pjr h ASP 595 N 1.12 0.72 -0.29 6.45 3.32 -1.93 -0.45 116.42 125.35 1pjr h ASP 595 Ca 0.26 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1pjr h ASP 595 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1pjr h ASP 595 CO -0.02 0.73 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.85 1pjr h GLU 596 N 0.74 0.80 -0.45 3.56 4.57 -1.81 -2.29 114.58 119.70 1pjr h GLU 596 Ca 0.16 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 1pjr h GLU 596 Cb 0.31 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1pjr h GLU 596 CO 0.00 0.99 0.22 0.52 -1.18 0.00 0.00 179.01 179.57 1pjr h MET 597 N 0.68 0.64 -0.28 1.92 2.86 -0.31 -0.62 114.93 119.82 1pjr h MET 597 Ca 0.08 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1pjr h MET 597 Cb 0.84 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1pjr h MET 597 CO 0.07 0.53 0.12 0.93 1.06 0.00 0.00 176.91 179.62 1pjr h GLU 598 N 0.58 0.39 -0.35 1.72 5.08 -1.02 -0.50 114.58 120.47 1pjr h GLU 598 Ca 0.15 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1pjr h GLU 598 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1pjr h GLU 598 CO -0.02 0.32 -0.08 1.49 -1.00 0.00 0.00 179.01 179.72 1pjr h GLU 599 N 0.39 0.68 -0.50 2.33 4.57 -0.93 -0.31 114.58 120.81 1pjr h GLU 599 Ca 0.10 -0.26 -0.08 0.00 -1.18 0.00 0.00 59.36 57.95 1pjr h GLU 599 Cb 0.08 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1pjr h GLU 599 CO -0.01 0.84 0.01 0.93 -1.18 0.00 0.00 179.01 179.59 1pjr h GLU 600 N 0.47 0.84 -0.30 1.92 4.39 -0.53 -1.14 114.58 120.23 1pjr h GLU 600 Ca 0.09 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1pjr h GLU 600 Cb 0.59 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1pjr h GLU 600 CO 0.03 0.84 0.16 -0.09 -1.16 0.00 0.00 179.01 178.79 1pjr h ARG 601 N 0.78 0.42 -0.79 2.33 2.43 -0.86 -1.53 114.38 117.15 1pjr h ARG 601 Ca 0.15 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1pjr h ARG 601 Cb 0.46 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1pjr h ARG 601 CO 0.02 0.37 0.52 0.00 -1.51 0.00 0.00 179.97 179.37 1pjr h ARG 602 N 0.35 0.78 -0.93 0.20 3.08 -0.68 -0.61 114.38 116.57 1pjr h ARG 602 Ca 0.10 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1pjr h ARG 602 Cb 0.08 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 1pjr h ARG 602 CO -0.02 0.52 0.61 -0.07 -1.07 0.00 0.00 179.97 179.94 1pjr h LEU 603 N 0.80 1.03 -0.58 3.04 3.38 -0.70 -1.60 115.31 120.68 1pjr h LEU 603 Ca 0.35 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 1pjr h LEU 603 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1pjr h LEU 603 CO -0.13 0.72 0.17 0.00 0.09 0.00 0.00 178.44 179.29 1pjr h ALA 604 N 1.37 0.76 -0.88 1.53 0.00 -0.15 -1.25 119.26 120.63 1pjr h ALA 604 Ca 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pjr h ALA 604 Cb -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1pjr h ALA 604 CO -0.11 0.44 0.51 -0.92 0.00 0.00 0.00 179.25 179.17 1pjr h TYR 605 N 0.83 1.18 0.00 0.00 3.20 -0.93 0.82 116.97 122.08 1pjr h TYR 605 Ca 0.19 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 1pjr h TYR 605 Cb 0.30 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1pjr h TYR 605 CO 0.02 0.80 -0.45 -0.39 -1.64 0.00 0.00 178.16 176.51 1pjr h VAL 606 N 1.23 0.92 0.46 1.81 -1.51 -1.07 -2.41 116.25 115.67 1pjr h VAL 606 Ca 0.31 -1.83 -0.02 0.00 -1.23 0.00 0.00 66.70 63.93 1pjr h VAL 606 Cb -0.02 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1pjr h VAL 606 CO -0.06 0.44 -0.22 1.23 -1.23 0.00 0.00 177.57 177.73 1pjr h GLY 607 N 2.54 -0.64 0.95 5.19 0.00 -0.44 -3.22 103.07 107.44 1pjr h GLY 607 Ca -0.00 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1pjr h GLY 607 CO 0.06 -0.23 0.17 -2.22 0.00 0.00 0.00 176.54 174.32 1pjr h ILE 608 N -0.68 1.18 0.00 2.60 2.04 -0.85 -3.02 117.51 118.78 1pjr h ILE 608 Ca -0.06 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1pjr h ILE 608 Cb 0.50 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1pjr h ILE 608 CO 0.10 0.20 0.00 0.35 0.00 0.00 0.00 178.15 178.80 1pjr n THR 609 N -4.67 0.00 -0.00 -0.27 -2.24 -0.91 -2.50 114.28 103.69 1pjr n THR 609 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pjr n THR 609 Cb 0.13 -0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 67.97 1pjr n THR 609 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1pjr n ARG 610 N -0.17 0.64 -2.90 -0.78 3.00 -1.14 -4.90 116.66 110.41 1pjr n ARG 610 Ca 0.00 0.08 -0.40 0.00 -0.00 0.00 0.00 57.85 57.53 1pjr n ARG 610 Cb 0.12 -1.69 -0.05 0.00 0.00 0.00 0.00 32.46 30.85 1pjr n ARG 610 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pjr s ALA 611 N -2.96 3.33 -0.18 5.13 0.00 -1.04 -1.21 121.76 124.82 1pjr s ALA 611 Ca -0.05 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 1pjr s ALA 611 Cb 0.09 -3.09 -0.21 0.00 0.00 0.00 0.00 23.12 19.91 1pjr s ALA 611 CO 0.83 0.06 0.31 0.93 0.00 0.00 0.00 175.76 177.89 1pjr h GLU 612 N 5.50 0.05 0.00 0.00 5.08 -1.13 -3.41 114.58 120.67 1pjr h GLU 612 Ca -0.44 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 1pjr h GLU 612 Cb 1.21 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1pjr h GLU 612 CO 0.71 1.04 -1.27 0.39 -1.00 0.00 0.00 179.01 178.88 1pjr n GLU 613 N -4.30 0.11 -4.38 2.33 1.02 -0.84 -2.32 120.64 112.25 1pjr n GLU 613 Ca -0.30 0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 56.68 1pjr n GLU 613 Cb 0.72 -0.82 -0.15 0.00 -0.02 0.00 0.00 31.44 31.17 1pjr n GLU 613 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1pjr s GLU 614 N -2.09 0.88 -0.06 3.49 2.02 -0.98 -4.37 118.70 117.59 1pjr s GLU 614 Ca -0.07 -0.31 0.04 0.00 0.02 0.00 0.00 54.97 54.66 1pjr s GLU 614 Cb 0.02 -0.83 -0.00 0.00 0.10 0.00 0.00 34.13 33.42 1pjr s GLU 614 CO 0.09 0.14 -0.20 -1.17 0.02 0.00 0.00 175.26 174.14 1pjr s LEU 615 N 0.07 1.95 -0.03 1.80 0.20 -1.26 -2.01 118.68 119.39 1pjr s LEU 615 Ca -0.01 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.40 1pjr s LEU 615 Cb -0.07 -1.14 0.01 0.00 -0.43 0.00 0.00 46.19 44.56 1pjr s LEU 615 CO 0.00 0.16 -0.08 0.54 -0.29 0.00 0.00 176.35 176.68 1pjr s VAL 616 N 0.16 0.73 0.11 1.68 0.11 -0.65 -2.67 120.40 119.87 1pjr s VAL 616 Ca -0.09 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 1pjr s VAL 616 Cb -0.14 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1pjr s VAL 616 CO 0.04 0.24 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.25 1pjr s LEU 617 N 0.42 3.26 0.02 2.54 1.43 -0.21 -1.05 118.68 125.08 1pjr s LEU 617 Ca -0.06 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 1pjr s LEU 617 Cb -0.11 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1pjr s LEU 617 CO 0.01 0.17 0.11 0.42 0.23 0.00 0.00 176.35 177.28 1pjr s THR 618 N -1.31 0.10 0.25 5.49 -4.23 -1.12 -0.43 115.64 114.38 1pjr s THR 618 Ca 0.24 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 1pjr s THR 618 Cb -0.11 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 1pjr s THR 618 CO 0.16 -0.47 0.14 -0.94 -0.54 0.00 0.00 174.62 172.98 1pjr s SER 619 N -1.65 0.86 0.01 3.99 1.04 -1.02 -1.24 113.70 115.70 1pjr s SER 619 Ca -0.12 -1.46 0.05 0.00 0.48 0.00 0.00 55.95 54.91 1pjr s SER 619 Cb -0.06 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 1pjr s SER 619 CO -0.01 -0.84 -0.16 0.00 0.98 0.00 0.00 173.24 173.20 1pjr s ALA 620 N -3.87 1.37 0.15 5.32 0.00 -1.26 -1.21 121.76 122.27 1pjr s ALA 620 Ca 0.38 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1pjr s ALA 620 Cb 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1pjr s ALA 620 CO 0.15 0.32 1.36 1.96 0.00 0.00 0.00 175.76 179.55 1pjr h GLN 621 N 5.46 0.31 -4.09 0.00 4.20 -0.25 -3.43 115.11 117.31 1pjr h GLN 621 Ca -0.37 -0.32 -0.27 0.00 0.06 0.00 0.00 58.65 57.75 1pjr h GLN 621 Cb 1.16 0.09 -0.27 0.00 0.30 0.00 0.00 27.48 28.76 1pjr h GLN 621 CO 0.47 1.01 -0.73 0.00 -0.67 0.00 0.00 178.83 178.91 1pjr s MET 622 N -3.29 0.27 0.01 1.46 0.23 0.35 -4.25 119.30 114.07 1pjr s MET 622 Ca -0.04 -0.23 -0.01 0.00 -1.03 0.00 0.00 55.69 54.37 1pjr s MET 622 Cb 0.10 -0.18 -0.01 0.00 -1.53 0.00 0.00 34.83 33.20 1pjr s MET 622 CO 0.84 0.04 0.01 -0.98 -2.03 0.00 0.00 175.02 172.91 1pjr s ARG 623 N -0.40 0.25 -0.26 3.16 1.70 -0.01 -3.16 118.95 120.22 1pjr s ARG 623 Ca -0.02 -0.37 -0.05 0.00 -0.47 0.00 0.00 55.73 54.81 1pjr s ARG 623 Cb -0.03 0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1pjr s ARG 623 CO -0.00 -0.04 0.03 0.99 -1.08 0.00 0.00 175.30 175.19 1pjr s THR 624 N -0.98 3.73 -0.00 4.99 2.01 -1.26 -1.05 115.64 123.08 1pjr s THR 624 Ca -0.11 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1pjr s THR 624 Cb -0.07 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.62 1pjr s THR 624 CO -0.00 0.23 0.01 -0.22 -0.69 0.00 0.00 174.62 173.94 1pjr s LEU 625 N 1.49 1.78 -1.59 4.42 2.96 -0.52 -4.78 118.68 122.43 1pjr s LEU 625 Ca 0.04 0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.80 1pjr s LEU 625 Cb -0.16 -0.03 0.11 0.00 0.50 0.00 0.00 46.19 46.62 1pjr s LEU 625 CO 0.00 -0.03 0.92 0.49 -1.32 0.00 0.00 176.35 176.41 1pjr n PHE 626 N 3.34 -2.11 -0.38 5.38 3.72 -1.26 -1.70 117.46 124.44 1pjr n PHE 626 Ca -0.16 0.87 0.00 0.00 -0.05 0.00 0.00 57.45 58.11 1pjr n PHE 626 Cb 0.58 -3.63 0.00 0.00 -0.94 0.00 0.00 39.48 35.49 1pjr n PHE 626 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pjr n GLY 627 N -1.59 0.66 3.77 1.37 0.00 -1.26 -4.82 105.19 103.31 1pjr n GLY 627 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1pjr n GLY 627 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pjr s ASN 628 N -2.50 5.39 -0.24 1.61 2.20 -0.69 -5.07 114.94 115.65 1pjr s ASN 628 Ca 0.00 -0.13 -0.08 0.00 -0.94 0.00 0.00 52.86 51.70 1pjr s ASN 628 Cb 0.00 -1.38 -0.04 0.00 -2.00 0.00 0.00 41.25 37.83 1pjr s ASN 628 CO 0.00 0.11 0.10 -0.63 -2.94 0.00 0.00 177.10 173.74 1pjr s ILE 629 N -1.61 4.75 0.04 0.54 1.01 -1.26 -1.44 121.20 123.23 1pjr s ILE 629 Ca 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.92 1pjr s ILE 629 Cb -0.11 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1pjr s ILE 629 CO 0.22 0.35 -0.05 0.00 0.00 0.00 0.00 174.94 175.46 1pjr s GLN 630 N 1.28 0.51 -0.32 2.79 -2.07 -0.21 -5.01 119.66 116.63 1pjr s GLN 630 Ca 0.06 -0.89 0.01 0.00 -1.82 0.00 0.00 55.36 52.71 1pjr s GLN 630 Cb -0.15 -0.00 0.10 0.00 -1.09 0.00 0.00 33.01 31.87 1pjr s GLN 630 CO 0.05 -0.04 0.08 -1.64 -1.32 0.00 0.00 175.29 172.42 1pjr s MET 631 N -2.41 0.96 -0.01 9.60 -1.94 -1.26 -0.83 119.30 123.40 1pjr s MET 631 Ca -0.05 -1.29 -0.02 0.00 -1.71 0.00 0.00 55.69 52.62 1pjr s MET 631 Cb -0.04 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.41 1pjr s MET 631 CO -0.03 -0.96 0.11 -0.51 -0.01 0.00 0.00 175.02 173.62 1pjr s ASP 632 N 1.41 5.93 0.59 3.03 1.01 -1.26 -5.05 116.67 122.32 1pjr s ASP 632 Ca 0.10 0.23 -0.19 0.00 0.71 0.00 0.00 52.55 53.39 1pjr s ASP 632 Cb -0.18 -1.77 -0.05 0.00 1.01 0.00 0.00 42.92 41.93 1pjr s ASP 632 CO -0.20 0.28 1.00 -2.65 0.21 0.00 0.00 175.17 173.82 1pjr n PRO 633 N 1.18 0.98 -1.76 8.23 -0.02 -1.26 -4.83 135.00 137.52 1pjr n PRO 633 Ca -0.13 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 1pjr n PRO 633 Cb 0.53 -2.20 0.07 0.00 -0.02 0.00 0.00 33.50 31.88 1pjr n PRO 633 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1pjr s PRO 634 N -2.74 2.58 0.43 0.52 0.02 -1.26 -1.28 135.00 133.27 1pjr s PRO 634 Ca 0.75 2.02 -0.26 0.00 0.02 0.00 0.00 61.00 63.53 1pjr s PRO 634 Cb -0.42 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.15 1pjr s PRO 634 CO 0.48 -1.56 1.36 0.45 -0.33 0.00 0.00 177.00 177.39 1pjr n SER 635 N -1.91 2.97 0.02 2.53 2.88 -0.15 -4.14 113.62 115.82 1pjr n SER 635 Ca 0.15 1.13 0.14 0.00 -1.33 0.00 0.00 58.87 58.96 1pjr n SER 635 Cb 0.48 -1.55 0.59 0.00 -0.75 0.00 0.00 64.21 62.98 1pjr n SER 635 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1pjr h ARG 636 N 2.25 0.19 0.00 -1.46 0.11 -1.91 -1.62 114.38 111.93 1pjr h ARG 636 Ca -0.49 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.58 1pjr h ARG 636 Cb 1.28 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 1pjr h ARG 636 CO 0.61 0.12 -0.00 0.74 0.10 0.00 0.00 179.97 181.54 1pjr h PHE 637 N 0.19 0.00 -0.13 4.08 0.04 -1.91 -0.58 116.94 118.63 1pjr h PHE 637 Ca 0.21 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.89 1pjr h PHE 637 Cb 0.56 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 1pjr h PHE 637 CO -0.00 0.00 -0.31 -0.07 -0.60 0.00 0.00 178.31 177.34 1pjr h LEU 638 N 0.00 0.26 -0.63 1.54 3.38 -1.65 -2.25 115.31 115.95 1pjr h LEU 638 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1pjr h LEU 638 Cb 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1pjr h LEU 638 CO 0.00 0.56 -0.18 -0.46 0.09 0.00 0.00 178.44 178.45 1pjr n ASN 639 N -4.11 1.17 0.09 -0.43 2.04 -0.26 -3.74 115.26 110.02 1pjr n ASN 639 Ca -0.01 -1.07 0.12 0.00 -0.44 0.00 0.00 54.58 53.18 1pjr n ASN 639 Cb 0.40 0.09 0.07 0.00 -2.53 0.00 0.00 39.78 37.81 1pjr n ASN 639 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1pjr h GLU 640 N 1.55 0.00 -6.35 -3.83 5.08 -1.01 -3.45 114.58 106.57 1pjr h GLU 640 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1pjr h GLU 640 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1pjr h GLU 640 CO 0.00 0.00 0.65 0.42 -1.00 0.00 0.00 179.01 179.08 1pjr s ILE 641 N -3.28 4.26 -0.34 3.13 1.01 -1.17 -4.08 121.20 120.72 1pjr s ILE 641 Ca 0.02 1.60 -0.39 0.00 0.00 0.00 0.00 60.65 61.88 1pjr s ILE 641 Cb 0.11 -4.03 -0.15 0.00 0.01 0.00 0.00 42.46 38.40 1pjr s ILE 641 CO 0.76 0.03 1.96 -0.81 0.00 0.00 0.00 174.94 176.88 1pjr n PRO 642 N 4.84 0.92 -0.53 2.79 -0.04 -1.26 -4.83 135.00 136.89 1pjr n PRO 642 Ca 0.10 0.30 0.43 0.00 -0.04 0.00 0.00 63.50 64.29 1pjr n PRO 642 Cb 0.47 -2.12 0.74 0.00 -0.04 0.00 0.00 33.50 32.55 1pjr n PRO 642 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjr h ALA 643 N 9.24 3.29 0.00 0.55 0.00 -1.91 0.83 119.26 131.27 1pjr h ALA 643 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1pjr h ALA 643 Cb 1.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1pjr h ALA 643 CO 1.00 -1.82 0.00 1.12 0.00 0.00 0.00 179.25 179.55 1pjr h HIS 644 N 0.04 0.00 0.00 0.00 2.07 -2.03 -1.55 115.15 113.69 1pjr h HIS 644 Ca 0.81 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.33 1pjr h HIS 644 Cb 2.98 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.96 1pjr h HIS 644 CO -0.00 0.00 -0.51 -0.07 -3.07 0.00 0.00 177.93 174.28 1pjr h LEU 645 N 0.00 0.00 -9.06 6.12 3.38 -1.19 -3.46 115.31 111.10 1pjr h LEU 645 Ca 0.00 -0.11 -0.62 0.00 0.09 0.00 0.00 57.88 57.25 1pjr h LEU 645 Cb 0.35 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.97 1pjr h LEU 645 CO 0.00 0.05 -0.30 -0.76 0.09 0.00 0.00 178.44 177.52 1pjr s LEU 646 N -4.74 4.11 -0.42 1.67 1.43 -0.58 -1.35 118.68 118.79 1pjr s LEU 646 Ca 0.06 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.34 1pjr s LEU 646 Cb 0.11 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 44.01 1pjr s LEU 646 CO 0.71 -0.07 0.31 -0.70 0.23 0.00 0.00 176.35 176.82 1pjr s GLU 647 N 1.47 2.91 -0.11 1.70 2.12 -0.24 -4.95 118.70 121.60 1pjr s GLU 647 Ca 0.14 -1.16 -0.26 0.00 0.36 0.00 0.00 54.97 54.05 1pjr s GLU 647 Cb -0.15 -3.96 -0.02 0.00 0.26 0.00 0.00 34.13 30.26 1pjr s GLU 647 CO 0.08 -0.84 0.85 0.99 -0.54 0.00 0.00 175.26 175.80 1pjr s THR 648 N 1.62 4.90 0.05 -1.70 2.01 -1.26 -0.74 115.64 120.52 1pjr s THR 648 Ca 0.04 1.72 0.00 0.00 0.31 0.00 0.00 61.69 63.76 1pjr s THR 648 Cb -0.21 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1pjr s THR 648 CO 0.08 0.09 0.00 0.00 -0.69 0.00 0.00 174.62 174.10 1pjr n ALA 649 N 4.70 -1.27 -2.91 7.40 0.00 0.24 -4.91 120.51 123.76 1pjr n ALA 649 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1pjr n ALA 649 Cb 0.50 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1pjr n ALA 649 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pjr s SER 650 N -3.36 -0.72 0.00 0.00 0.15 -1.26 -4.83 113.70 103.68 1pjr s SER 650 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1pjr s SER 650 Cb 0.00 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1pjr s SER 650 CO 0.00 -0.08 0.00 -1.14 1.20 0.00 0.00 173.24 173.22