#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tjp s THR 3 N 0.00 0.26 0.07 12.58 -4.23 -1.26 -5.06 115.64 118.00 1tjp s THR 3 Ca 0.00 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1tjp s THR 3 Cb 0.00 -2.09 -0.20 0.00 1.34 0.00 0.00 72.50 71.55 1tjp s THR 3 CO 0.00 -0.44 1.14 -0.07 -0.54 0.00 0.00 174.62 174.71 1tjp h LEU 4 N 2.80 0.00 -9.01 4.79 3.38 -1.97 -3.46 115.31 111.84 1tjp h LEU 4 Ca -0.36 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.06 1tjp h LEU 4 Cb 1.20 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.80 1tjp h LEU 4 CO 0.60 0.97 -0.77 -0.76 0.09 0.00 0.00 178.44 178.57 1tjp s LEU 5 N -6.54 2.52 -0.02 1.67 1.43 -1.26 -5.10 118.68 111.37 1tjp s LEU 5 Ca -0.00 -0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 51.83 1tjp s LEU 5 Cb 0.09 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1tjp s LEU 5 CO 0.82 -0.02 1.41 0.21 0.23 0.00 0.00 176.35 179.00 1tjp s ASN 6 N -3.13 6.84 0.00 2.29 3.84 -1.26 -4.88 114.94 118.64 1tjp s ASN 6 Ca 0.23 2.08 0.30 0.00 0.21 0.00 0.00 52.86 55.68 1tjp s ASN 6 Cb -0.04 -2.55 1.37 0.00 -0.55 0.00 0.00 41.25 39.47 1tjp s ASN 6 CO 0.10 -0.75 1.99 -2.65 -2.79 0.00 0.00 177.10 173.00 1tjp n PRO 7 N 5.70 0.20 -4.29 0.43 -0.02 -1.26 -4.85 135.00 130.91 1tjp n PRO 7 Ca 0.14 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.33 1tjp n PRO 7 Cb 0.44 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.31 1tjp n PRO 7 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1tjp s TYR 8 N -2.80 2.60 -0.40 6.00 2.02 -1.26 -1.16 117.35 122.34 1tjp s TYR 8 Ca 0.21 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1tjp s TYR 8 Cb 0.20 -1.34 0.11 0.00 -0.40 0.00 0.00 41.96 40.53 1tjp s TYR 8 CO 0.50 0.44 0.14 -0.06 -1.57 0.00 0.00 175.55 174.99 1tjp s PHE 9 N -1.35 3.28 0.00 2.71 0.08 0.68 -4.98 117.98 118.40 1tjp s PHE 9 Ca 0.21 -2.92 0.00 0.00 0.12 0.00 0.00 56.93 54.34 1tjp s PHE 9 Cb -0.10 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 1tjp s PHE 9 CO 0.12 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 174.79 1tjp n GLY 10 N 3.87 3.34 0.02 4.36 0.00 -1.26 -1.75 105.19 113.77 1tjp n GLY 10 Ca 0.04 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1tjp n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tjp n GLU 11 N 13.90 0.07 -3.49 1.61 0.28 -1.26 -4.90 120.64 126.84 1tjp n GLU 11 Ca 0.00 0.05 -0.36 0.00 -0.16 0.00 0.00 57.16 56.69 1tjp n GLU 11 Cb 0.00 -1.57 -0.06 0.00 1.43 0.00 0.00 31.44 31.24 1tjp n GLU 11 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1tjp s PHE 12 N -3.03 3.62 0.00 -1.84 0.08 -0.72 -4.88 117.98 111.21 1tjp s PHE 12 Ca 0.13 0.91 0.00 0.00 0.12 0.00 0.00 56.93 58.09 1tjp s PHE 12 Cb 0.17 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1tjp s PHE 12 CO 0.57 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.62 1tjp n GLY 13 N 1.06 0.10 1.86 4.36 0.00 -0.11 -0.23 105.19 112.23 1tjp n GLY 13 Ca -0.08 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1tjp n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tjp n GLY 14 N 0.00 -2.16 2.28 -0.02 0.00 -0.31 -0.62 105.19 104.36 1tjp n GLY 14 Ca 0.00 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 1tjp n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1tjp n MET 15 N -0.06 1.27 -2.44 1.61 2.81 -1.25 -1.20 117.12 117.86 1tjp n MET 15 Ca 0.00 -3.64 -0.43 0.00 -1.81 0.00 0.00 57.70 51.82 1tjp n MET 15 Cb 0.00 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 1tjp n MET 15 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1tjp n TYR 16 N 1.05 3.29 -4.40 2.03 4.02 -0.26 -4.93 117.16 117.97 1tjp n TYR 16 Ca 0.24 -2.89 -0.21 0.00 -0.01 0.00 0.00 57.90 55.04 1tjp n TYR 16 Cb 0.51 -1.99 -0.10 0.00 -0.02 0.00 0.00 39.34 37.75 1tjp n TYR 16 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1tjp s VAL 17 N 0.58 1.88 0.64 -0.72 -7.23 -1.26 -3.51 120.40 110.78 1tjp s VAL 17 Ca 0.40 -2.23 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 1tjp s VAL 17 Cb 0.07 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1tjp s VAL 17 CO 0.00 -0.47 1.16 -2.65 -0.31 0.00 0.00 175.10 172.83 1tjp n PRO 18 N -0.49 0.98 -0.34 4.82 -0.02 -1.26 -4.85 135.00 133.82 1tjp n PRO 18 Ca -0.07 0.39 0.15 0.00 -2.02 0.00 0.00 63.50 61.95 1tjp n PRO 18 Cb 0.61 -2.39 0.36 0.00 -0.02 0.00 0.00 33.50 32.06 1tjp n PRO 18 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1tjp h GLN 19 N 0.42 0.67 -0.24 -0.52 5.75 -2.00 -0.07 115.11 119.13 1tjp h GLN 19 Ca -0.50 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.03 1tjp h GLN 19 Cb 1.35 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1tjp h GLN 19 CO 0.52 0.44 0.26 0.97 -2.65 0.00 0.00 178.83 178.37 1tjp h ILE 20 N 0.69 0.46 -0.01 2.39 6.09 -1.97 -1.60 117.51 123.57 1tjp h ILE 20 Ca 0.58 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.07 1tjp h ILE 20 Cb 1.01 0.80 0.00 0.00 0.47 0.00 0.00 36.82 39.09 1tjp h ILE 20 CO -0.38 0.00 -0.33 0.18 -3.07 0.00 0.00 178.15 174.56 1tjp n LEU 21 N -3.80 1.19 -0.33 2.19 4.77 -0.04 -4.34 117.00 116.63 1tjp n LEU 21 Ca 0.03 -0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 1tjp n LEU 21 Cb 0.39 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1tjp n LEU 21 CO 0.28 0.23 1.18 0.24 -1.33 0.00 0.00 177.39 177.98 1tjp h MET 22 N 1.36 1.25 -0.51 3.23 2.86 -1.36 -2.10 114.93 119.66 1tjp h MET 22 Ca 0.00 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1tjp h MET 22 Cb 0.55 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1tjp h MET 22 CO 0.00 0.91 0.19 -1.35 1.06 0.00 0.00 176.91 177.72 1tjp h PRO 23 N 1.26 0.73 -0.52 -0.22 0.11 -1.77 -0.13 132.00 131.46 1tjp h PRO 23 Ca 0.32 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1tjp h PRO 23 Cb 0.02 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 1tjp h PRO 23 CO -0.05 0.61 0.29 0.00 -0.21 0.00 0.00 178.00 178.64 1tjp h ALA 24 N 1.49 0.66 -0.44 -0.75 0.00 -1.73 0.11 119.26 118.62 1tjp h ALA 24 Ca 0.17 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1tjp h ALA 24 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1tjp h ALA 24 CO -0.02 0.18 -0.13 -0.07 0.00 0.00 0.00 179.25 179.21 1tjp h LEU 25 N 0.69 0.80 -0.55 0.00 3.38 -0.73 -1.10 115.31 117.80 1tjp h LEU 25 Ca 0.18 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1tjp h LEU 25 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1tjp h LEU 25 CO -0.03 0.95 -0.16 0.78 0.09 0.00 0.00 178.44 180.07 1tjp h ASN 26 N 0.72 1.00 -0.34 -0.43 -0.26 -0.71 -0.96 115.58 114.61 1tjp h ASN 26 Ca 0.12 -0.35 -0.01 0.00 -0.56 0.00 0.00 56.30 55.49 1tjp h ASN 26 Cb 0.63 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1tjp h ASN 26 CO 0.04 1.14 0.17 -0.61 -1.06 0.00 0.00 177.43 177.12 1tjp h GLN 27 N 0.87 0.48 -0.42 0.81 4.15 -0.65 -1.22 115.11 119.12 1tjp h GLN 27 Ca 0.12 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1tjp h GLN 27 Cb 0.73 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 1tjp h GLN 27 CO 0.06 0.42 0.27 1.25 -1.93 0.00 0.00 178.83 178.89 1tjp h LEU 28 N 0.41 0.50 -0.20 -2.39 5.85 -0.98 -0.57 115.31 117.93 1tjp h LEU 28 Ca 0.12 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1tjp h LEU 28 Cb 0.09 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1tjp h LEU 28 CO -0.02 0.38 0.08 -0.08 -0.34 0.00 0.00 178.44 178.47 1tjp h GLU 29 N 0.56 0.18 -0.86 1.25 4.81 -0.98 -0.22 114.58 119.32 1tjp h GLU 29 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1tjp h GLU 29 Cb -0.03 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1tjp h GLU 29 CO -0.03 0.12 0.54 1.49 -0.73 0.00 0.00 179.01 180.39 1tjp h GLU 30 N 0.18 1.15 -0.52 1.92 4.81 -0.99 -1.03 114.58 120.11 1tjp h GLU 30 Ca 0.09 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1tjp h GLU 30 Cb 0.04 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1tjp h GLU 30 CO -0.08 0.79 -0.06 0.00 -0.73 0.00 0.00 179.01 178.93 1tjp h ALA 31 N 1.29 0.92 -0.35 2.92 0.00 -0.81 -1.14 119.26 122.09 1tjp h ALA 31 Ca 0.31 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1tjp h ALA 31 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1tjp h ALA 31 CO -0.06 0.63 0.09 0.35 0.00 0.00 0.00 179.25 180.27 1tjp h PHE 32 N 0.83 0.58 -0.70 0.00 3.57 -0.65 0.13 116.94 120.70 1tjp h PHE 32 Ca 0.14 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1tjp h PHE 32 Cb 0.58 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1tjp h PHE 32 CO 0.03 0.58 0.32 0.28 -2.23 0.00 0.00 178.31 177.29 1tjp h VAL 33 N 0.41 1.24 -0.10 1.41 2.07 -0.97 -0.54 116.25 119.77 1tjp h VAL 33 Ca 0.11 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1tjp h VAL 33 Cb 0.28 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1tjp h VAL 33 CO -0.00 0.29 0.04 -1.28 0.02 0.00 0.00 177.57 176.64 1tjp h SER 34 N 0.99 0.14 -0.91 0.57 0.87 -1.07 -3.06 113.55 111.08 1tjp h SER 34 Ca 0.24 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1tjp h SER 34 Cb 0.15 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 1tjp h SER 34 CO -0.03 0.26 0.60 0.00 -0.53 0.00 0.00 176.83 177.14 1tjp h ALA 35 N 0.88 1.36 0.00 6.23 0.00 -0.38 -1.91 119.26 125.45 1tjp h ALA 35 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1tjp h ALA 35 Cb 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1tjp h ALA 35 CO -0.00 0.58 0.00 1.96 0.00 0.00 0.00 179.25 181.79 1tjp h GLN 36 N 1.22 0.00 -0.02 0.00 1.08 -1.00 -1.68 115.11 114.71 1tjp h GLN 36 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1tjp h GLN 36 Cb -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1tjp h GLN 36 CO -0.08 0.00 -0.22 1.63 -0.95 0.00 0.00 178.83 179.21 1tjp n LYS 37 N -2.82 1.71 -3.24 1.46 4.76 -0.75 -4.91 118.16 114.37 1tjp n LYS 37 Ca -0.01 -1.39 -0.43 0.00 -2.87 0.00 0.00 58.31 53.61 1tjp n LYS 37 Cb 0.17 -1.42 -0.08 0.00 -1.84 0.00 0.00 35.03 31.86 1tjp n LYS 37 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1tjp s ASP 38 N -2.08 6.22 0.58 4.39 -1.08 -0.63 -4.93 116.67 119.14 1tjp s ASP 38 Ca 0.21 -0.72 0.29 0.00 -0.52 0.00 0.00 52.55 51.82 1tjp s ASP 38 Cb 0.18 -2.26 1.79 0.00 -1.46 0.00 0.00 42.92 41.17 1tjp s ASP 38 CO 0.40 -0.70 2.24 -0.65 0.52 0.00 0.00 175.17 176.98 1tjp h PRO 39 N 8.83 0.00 -0.20 4.34 0.11 -1.91 -1.62 132.00 141.56 1tjp h PRO 39 Ca -0.27 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.67 1tjp h PRO 39 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1tjp h PRO 39 CO 0.86 0.01 -0.59 1.49 -0.21 0.00 0.00 178.00 179.56 1tjp h GLU 40 N 0.00 0.65 -0.26 1.05 4.81 -1.93 -0.02 114.58 118.88 1tjp h GLU 40 Ca -0.00 -0.43 -0.08 0.00 -0.13 0.00 0.00 59.36 58.72 1tjp h GLU 40 Cb 0.03 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1tjp h GLU 40 CO 0.00 1.05 -0.13 0.35 -0.73 0.00 0.00 179.01 179.55 1tjp h PHE 41 N 0.49 0.64 -0.89 0.92 3.04 -1.61 -1.59 116.94 117.94 1tjp h PHE 41 Ca 0.00 -0.16 -0.01 0.00 3.98 0.00 0.00 57.97 61.78 1tjp h PHE 41 Cb 1.16 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.48 1tjp h PHE 41 CO 0.06 0.81 0.51 1.96 -2.02 0.00 0.00 178.31 179.63 1tjp h GLN 42 N 0.29 1.23 -0.22 1.11 1.08 -1.27 -0.56 115.11 116.78 1tjp h GLN 42 Ca 0.06 -0.13 -0.16 0.00 -1.45 0.00 0.00 58.65 56.96 1tjp h GLN 42 Cb 0.64 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1tjp h GLN 42 CO 0.04 0.89 -0.53 0.00 -0.95 0.00 0.00 178.83 178.27 1tjp h ALA 43 N 1.32 0.65 -0.47 3.87 0.00 -0.86 -0.40 119.26 123.36 1tjp h ALA 43 Ca 0.32 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1tjp h ALA 43 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1tjp h ALA 43 CO -0.05 0.68 0.02 0.37 0.00 0.00 0.00 179.25 180.26 1tjp h GLN 44 N 0.50 0.83 -0.27 0.00 4.15 -0.88 -0.15 115.11 119.28 1tjp h GLN 44 Ca 0.01 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 1tjp h GLN 44 Cb 1.09 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1tjp h GLN 44 CO 0.11 0.87 0.10 0.35 -1.93 0.00 0.00 178.83 178.32 1tjp h PHE 45 N 0.68 0.43 -0.88 3.99 3.57 -1.02 -1.84 116.94 121.87 1tjp h PHE 45 Ca 0.14 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1tjp h PHE 45 Cb 0.48 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1tjp h PHE 45 CO 0.04 0.45 0.46 0.00 -2.23 0.00 0.00 178.31 177.03 1tjp h ALA 46 N 0.93 1.15 -0.69 2.41 0.00 -0.95 -0.53 119.26 121.58 1tjp h ALA 46 Ca 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1tjp h ALA 46 Cb 0.21 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1tjp h ALA 46 CO -0.01 0.66 0.32 0.22 0.00 0.00 0.00 179.25 180.45 1tjp h ASP 47 N 1.24 0.92 -0.45 0.00 1.82 -0.74 -0.49 116.42 118.72 1tjp h ASP 47 Ca 0.31 -0.14 -0.08 0.00 -0.39 0.00 0.00 57.03 56.72 1tjp h ASP 47 Cb 0.06 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.82 1tjp h ASP 47 CO -0.05 0.81 -0.04 -0.07 -1.61 0.00 0.00 179.24 178.28 1tjp h LEU 48 N 0.97 0.80 -0.82 2.28 3.38 -0.91 0.14 115.31 121.15 1tjp h LEU 48 Ca 0.24 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1tjp h LEU 48 Cb 0.14 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1tjp h LEU 48 CO -0.03 0.94 0.39 -0.07 0.09 0.00 0.00 178.44 179.77 1tjp h LEU 49 N 0.65 1.07 0.04 1.67 3.38 -0.87 -0.03 115.31 121.23 1tjp h LEU 49 Ca 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1tjp h LEU 49 Cb 0.55 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1tjp h LEU 49 CO 0.03 0.90 -0.02 0.50 0.09 0.00 0.00 178.44 179.94 1tjp h LYS 50 N 1.16 -0.05 0.00 1.13 3.64 -0.93 0.59 116.57 122.11 1tjp h LYS 50 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1tjp h LYS 50 Cb 0.12 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1tjp h LYS 50 CO -0.04 0.59 -0.76 0.09 -2.27 0.00 0.00 179.45 177.06 1tjp n ASN 51 N -4.75 0.63 -0.06 4.20 3.02 0.02 -2.84 115.26 115.49 1tjp n ASN 51 Ca -0.08 -0.30 -0.12 0.00 -0.03 0.00 0.00 54.58 54.06 1tjp n ASN 51 Cb 0.32 0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.98 1tjp n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tjp n TYR 52 N -1.73 0.00 0.11 3.10 9.36 -0.41 -4.76 117.16 122.83 1tjp n TYR 52 Ca 0.04 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.31 1tjp n TYR 52 Cb 0.38 -0.43 0.00 0.00 -0.63 0.00 0.00 39.34 38.67 1tjp n TYR 52 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1tjp h ALA 53 N -0.33 0.67 0.00 2.98 0.00 -1.01 -3.45 119.26 118.12 1tjp h ALA 53 Ca -0.29 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1tjp h ALA 53 Cb 1.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1tjp h ALA 53 CO -0.15 0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1tjp n GLY 54 N 1.25 0.98 3.84 0.00 0.00 -0.61 -1.35 105.19 109.31 1tjp n GLY 54 Ca -0.02 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1tjp n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tjp s ARG 55 N -0.47 3.76 0.55 1.61 0.52 0.10 -4.25 118.95 120.76 1tjp s ARG 55 Ca 0.00 0.93 -0.17 0.00 -0.52 0.00 0.00 55.73 55.97 1tjp s ARG 55 Cb 0.00 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.31 1tjp s ARG 55 CO 0.00 -0.43 1.04 -1.25 0.02 0.00 0.00 175.30 174.68 1tjp s PRO 56 N -4.39 3.54 0.29 3.54 0.04 -1.26 -4.34 135.00 132.43 1tjp s PRO 56 Ca 0.58 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1tjp s PRO 56 Cb -0.11 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1tjp s PRO 56 CO 0.38 -0.63 0.64 0.95 0.04 0.00 0.00 177.00 178.39 1tjp s THR 57 N -2.31 4.83 0.90 1.26 -4.23 -1.26 -5.06 115.64 109.77 1tjp s THR 57 Ca 0.64 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 61.66 1tjp s THR 57 Cb -0.16 -3.64 0.14 0.00 1.34 0.00 0.00 72.50 70.18 1tjp s THR 57 CO 0.31 -0.20 1.10 0.00 -0.54 0.00 0.00 174.62 175.29 1tjp s ALA 58 N -1.98 1.44 -0.26 3.99 0.00 -1.26 -4.75 121.76 118.95 1tjp s ALA 58 Ca 0.50 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1tjp s ALA 58 Cb -0.11 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.76 1tjp s ALA 58 CO 0.22 -2.54 -0.07 -1.17 0.00 0.00 0.00 175.76 172.19 1tjp s LEU 59 N -6.41 3.16 -0.21 0.00 2.96 -1.26 -0.90 118.68 116.01 1tjp s LEU 59 Ca 0.65 -1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.10 1tjp s LEU 59 Cb -0.20 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1tjp s LEU 59 CO 0.58 -0.23 0.10 -0.89 -1.32 0.00 0.00 176.35 174.60 1tjp s THR 60 N 1.22 5.04 0.05 3.68 2.01 -0.01 -4.88 115.64 122.75 1tjp s THR 60 Ca -0.06 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 1tjp s THR 60 Cb -0.19 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1tjp s THR 60 CO -0.06 0.41 0.78 -0.75 -0.69 0.00 0.00 174.62 174.31 1tjp s LYS 61 N 0.65 4.51 -0.93 4.92 2.20 -1.26 -0.39 119.74 129.44 1tjp s LYS 61 Ca 0.06 1.10 -0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1tjp s LYS 61 Cb -0.13 -3.36 0.30 0.00 -1.51 0.00 0.00 37.83 33.14 1tjp s LYS 61 CO 0.01 0.29 1.38 0.00 -0.36 0.00 0.00 175.35 176.67 1tjp h GLN 63 N 4.62 0.59 -0.77 0.00 4.20 -1.95 -3.00 115.11 118.80 1tjp h GLN 63 Ca 0.28 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 1tjp h GLN 63 Cb 0.54 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1tjp h GLN 63 CO 1.15 0.39 0.28 -0.91 -0.67 0.00 0.00 178.83 179.07 1tjp h ASN 64 N 0.61 1.08 -0.10 1.46 -0.26 -1.91 -2.49 115.58 113.97 1tjp h ASN 64 Ca 0.18 -0.18 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1tjp h ASN 64 Cb -0.01 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 36.96 1tjp h ASN 64 CO -0.04 0.97 -0.14 0.40 -1.06 0.00 0.00 177.43 177.56 1tjp h ILE 65 N 1.13 1.23 -0.25 2.81 2.04 -1.80 -3.09 117.51 119.57 1tjp h ILE 65 Ca 0.25 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1tjp h ILE 65 Cb 0.25 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1tjp h ILE 65 CO -0.02 0.33 0.00 0.35 0.00 0.00 0.00 178.15 178.81 1tjp n THR 66 N -4.20 0.31 -1.62 -0.27 -2.24 -1.08 -4.98 114.28 100.20 1tjp n THR 66 Ca 0.00 -0.59 -0.49 0.00 -2.27 0.00 0.00 64.05 60.71 1tjp n THR 66 Cb 0.32 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 1tjp n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tjp n ALA 67 N 1.16 -0.08 -0.61 6.98 0.00 -0.96 -1.52 120.51 125.49 1tjp n ALA 67 Ca 0.18 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1tjp n ALA 67 Cb 0.54 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1tjp n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tjp n GLY 68 N 2.60 0.78 3.52 0.00 0.00 -1.26 -5.04 105.19 105.79 1tjp n GLY 68 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1tjp n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tjp s THR 69 N -2.89 1.06 -0.25 2.61 -4.23 -0.58 -4.94 115.64 106.42 1tjp s THR 69 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1tjp s THR 69 Cb 0.00 -2.59 0.78 0.00 1.34 0.00 0.00 72.50 72.03 1tjp s THR 69 CO 0.00 0.00 1.73 0.54 -0.54 0.00 0.00 174.62 176.35 1tjp n ARG 70 N -0.85 4.49 -3.37 3.99 1.74 -0.36 -4.93 116.66 117.36 1tjp n ARG 70 Ca -0.06 -3.13 -0.38 0.00 -0.77 0.00 0.00 57.85 53.52 1tjp n ARG 70 Cb 0.66 -2.22 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 1tjp n ARG 70 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1tjp s THR 71 N -2.83 5.09 -0.20 0.55 2.01 -1.26 -2.21 115.64 116.79 1tjp s THR 71 Ca 0.53 0.94 -0.03 0.00 0.31 0.00 0.00 61.69 63.44 1tjp s THR 71 Cb 0.41 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1tjp s THR 71 CO 0.15 0.43 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.57 1tjp s THR 72 N -0.10 3.46 -0.11 -0.82 2.01 -0.10 -4.82 115.64 115.16 1tjp s THR 72 Ca 0.25 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1tjp s THR 72 Cb -0.16 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.80 1tjp s THR 72 CO 0.12 0.44 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.06 1tjp s LEU 73 N 1.15 2.20 0.05 4.42 2.96 -1.26 -0.78 118.68 127.42 1tjp s LEU 73 Ca 0.02 -0.53 0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1tjp s LEU 73 Cb -0.15 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1tjp s LEU 73 CO -0.01 0.14 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.63 1tjp s TYR 74 N 0.44 2.42 -0.17 5.38 2.02 -0.29 -0.72 117.35 126.43 1tjp s TYR 74 Ca -0.15 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.19 1tjp s TYR 74 Cb -0.17 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 1tjp s TYR 74 CO 0.06 0.21 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.64 1tjp s LEU 75 N -1.43 2.72 -0.17 -1.29 1.43 0.47 -1.07 118.68 119.34 1tjp s LEU 75 Ca 0.13 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.57 1tjp s LEU 75 Cb -0.10 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1tjp s LEU 75 CO 0.04 0.07 0.95 -0.75 0.23 0.00 0.00 176.35 176.88 1tjp s LYS 76 N 0.94 4.32 -1.32 1.70 2.47 -0.12 -0.83 119.74 126.89 1tjp s LYS 76 Ca -0.02 1.23 -0.07 0.00 -1.56 0.00 0.00 55.97 55.55 1tjp s LYS 76 Cb -0.15 -3.59 0.13 0.00 -1.46 0.00 0.00 37.83 32.76 1tjp s LYS 76 CO -0.01 -0.43 2.21 0.54 0.16 0.00 0.00 175.35 177.83 1tjp n ARG 77 N 5.54 4.14 0.07 4.03 5.12 -0.08 -0.80 116.66 134.67 1tjp n ARG 77 Ca 0.08 -3.41 0.10 0.00 -1.93 0.00 0.00 57.85 52.69 1tjp n ARG 77 Cb 0.48 -2.77 0.41 0.00 -1.16 0.00 0.00 32.46 29.42 1tjp n ARG 77 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1tjp n GLU 78 N 2.73 0.10 0.29 5.56 -0.58 -0.86 -1.52 120.64 126.37 1tjp n GLU 78 Ca 0.54 0.33 0.19 0.00 -0.42 0.00 0.00 57.16 57.81 1tjp n GLU 78 Cb 0.29 -1.69 0.88 0.00 -0.57 0.00 0.00 31.44 30.35 1tjp n GLU 78 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1tjp h ASP 79 N 0.00 0.00 -0.11 1.62 2.03 -1.65 -2.17 116.42 116.13 1tjp h ASP 79 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1tjp h ASP 79 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1tjp h ASP 79 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 1tjp n LEU 80 N -3.05 2.08 -4.80 0.15 4.77 -0.58 -4.39 117.00 111.19 1tjp n LEU 80 Ca -0.01 -0.78 -0.34 0.00 -0.03 0.00 0.00 56.01 54.85 1tjp n LEU 80 Cb 0.21 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1tjp n LEU 80 CO 0.24 0.39 0.72 -0.22 -1.33 0.00 0.00 177.39 177.19 1tjp s LEU 81 N -1.80 3.78 0.20 2.23 2.96 -0.82 -4.91 118.68 120.32 1tjp s LEU 81 Ca 0.34 1.90 -0.33 0.00 -0.22 0.00 0.00 54.13 55.83 1tjp s LEU 81 Cb 0.20 -4.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.20 1tjp s LEU 81 CO 0.30 -0.84 1.52 1.57 -1.32 0.00 0.00 176.35 177.58 1tjp n HIS 82 N -1.15 2.26 0.00 5.38 -0.00 -0.46 -0.37 115.22 120.88 1tjp n HIS 82 Ca 0.09 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 1tjp n HIS 82 Cb 0.53 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 28.00 1tjp n HIS 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1tjp n GLY 83 N 2.90 2.94 1.39 1.57 0.00 -1.26 -4.50 105.19 108.23 1tjp n GLY 83 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1tjp n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tjp n GLY 84 N -2.00 0.72 3.55 -0.02 0.00 0.50 -5.01 105.19 102.93 1tjp n GLY 84 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1tjp n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tjp s ALA 85 N -2.31 -0.92 0.16 4.61 0.00 -1.24 -1.18 121.76 120.88 1tjp s ALA 85 Ca 0.00 -0.26 0.33 0.00 0.00 0.00 0.00 51.96 52.03 1tjp s ALA 85 Cb 0.00 0.87 1.69 0.00 0.00 0.00 0.00 23.12 25.68 1tjp s ALA 85 CO 0.00 -0.82 2.00 1.12 0.00 0.00 0.00 175.76 178.06 1tjp h HIS 86 N 2.18 0.00 -0.24 0.00 -0.00 -1.37 -3.13 115.15 112.59 1tjp h HIS 86 Ca -0.28 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.16 1tjp h HIS 86 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.66 1tjp h HIS 86 CO 0.36 0.00 0.19 0.87 -0.00 0.00 0.00 177.93 179.34 1tjp h LYS 87 N 0.00 0.00 -0.39 5.12 1.57 -1.94 -1.51 116.57 119.41 1tjp h LYS 87 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1tjp h LYS 87 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1tjp h LYS 87 CO 0.00 0.00 0.27 1.15 -0.57 0.00 0.00 179.45 180.30 1tjp h THR 88 N 0.00 0.89 0.06 -0.16 2.02 -1.82 -2.75 112.91 111.14 1tjp h THR 88 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1tjp h THR 88 Cb 0.49 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1tjp h THR 88 CO -0.00 0.03 -0.06 0.78 0.37 0.00 0.00 175.52 176.64 1tjp h ASN 89 N 0.17 -0.16 1.39 4.18 2.35 -1.55 -2.85 115.58 119.11 1tjp h ASN 89 Ca 0.18 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1tjp h ASN 89 Cb 0.50 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1tjp h ASN 89 CO -0.03 -0.09 -0.63 0.06 -1.65 0.00 0.00 177.43 175.09 1tjp h GLN 90 N -0.13 0.00 0.00 0.81 -0.00 -1.56 -3.06 115.11 111.16 1tjp h GLN 90 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.55 1tjp h GLN 90 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.60 1tjp h GLN 90 CO -0.02 0.37 -0.48 -0.39 -0.00 0.00 0.00 178.83 178.31 1tjp h VAL 91 N 0.00 1.28 -0.50 1.86 -1.51 -1.46 0.77 116.25 116.69 1tjp h VAL 91 Ca -0.03 -1.68 -0.13 0.00 -1.23 0.00 0.00 66.70 63.63 1tjp h VAL 91 Cb 1.35 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 32.42 1tjp h VAL 91 CO 0.05 0.47 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.61 1tjp h LEU 92 N 0.00 1.02 -0.29 4.19 3.38 -1.44 0.47 115.31 122.64 1tjp h LEU 92 Ca -0.00 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1tjp h LEU 92 Cb 0.88 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1tjp h LEU 92 CO 0.06 1.16 -0.22 1.23 0.09 0.00 0.00 178.44 180.77 1tjp h GLY 93 N 0.90 0.71 1.61 0.83 0.00 -1.36 -1.68 103.07 104.09 1tjp h GLY 93 Ca 0.12 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 1tjp h GLY 93 CO 0.06 0.63 -0.30 1.46 0.00 0.00 0.00 176.54 178.39 1tjp h GLN 94 N 0.40 0.44 -0.59 4.80 4.20 -0.72 -0.74 115.11 122.91 1tjp h GLN 94 Ca 0.05 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1tjp h GLN 94 Cb 0.76 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 1tjp h GLN 94 CO 0.06 0.70 0.03 0.00 -0.67 0.00 0.00 178.83 178.95 1tjp h ALA 95 N 1.30 0.94 -0.45 3.87 0.00 -0.74 -0.33 119.26 123.84 1tjp h ALA 95 Ca 0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1tjp h ALA 95 Cb 0.72 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1tjp h ALA 95 CO 0.06 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 1tjp h LEU 96 N 0.93 0.70 -0.44 0.00 3.38 -0.88 -1.91 115.31 117.08 1tjp h LEU 96 Ca 0.17 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1tjp h LEU 96 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1tjp h LEU 96 CO 0.02 0.76 0.07 -0.07 0.09 0.00 0.00 178.44 179.31 1tjp h LEU 97 N 0.69 0.71 -0.52 1.67 3.38 -0.68 -0.76 115.31 119.80 1tjp h LEU 97 Ca 0.14 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1tjp h LEU 97 Cb 0.42 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1tjp h LEU 97 CO 0.02 0.80 0.19 0.00 0.09 0.00 0.00 178.44 179.54 1tjp h ALA 98 N 0.94 0.64 -0.30 1.53 0.00 -0.81 -1.72 119.26 119.54 1tjp h ALA 98 Ca 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1tjp h ALA 98 Cb 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1tjp h ALA 98 CO 0.01 -0.20 -0.15 0.87 0.00 0.00 0.00 179.25 179.78 1tjp h LYS 99 N 0.38 0.53 -0.33 0.00 1.57 -1.12 -0.63 116.57 116.98 1tjp h LYS 99 Ca 0.25 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1tjp h LYS 99 Cb 0.26 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1tjp h LYS 99 CO -0.25 0.67 0.08 -0.09 -0.57 0.00 0.00 179.45 179.29 1tjp h ARG 100 N 0.49 0.47 -0.00 3.15 2.43 -0.36 -0.84 114.38 119.71 1tjp h ARG 100 Ca 0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1tjp h ARG 100 Cb 0.55 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1tjp h ARG 100 CO 0.04 0.44 -0.11 -1.33 -1.51 0.00 0.00 179.97 177.49 1tjp n MET 101 N -4.36 0.60 -0.84 0.20 2.81 -0.72 -4.92 117.12 109.89 1tjp n MET 101 Ca 0.02 -0.19 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1tjp n MET 101 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1tjp n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tjp n GLY 102 N 1.30 0.53 3.80 3.03 0.00 -0.32 -5.06 105.19 108.47 1tjp n GLY 102 Ca 0.14 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1tjp n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tjp s LYS 103 N -0.87 4.41 0.00 1.61 -0.14 -0.28 -4.98 119.74 119.49 1tjp s LYS 103 Ca 0.00 1.18 0.04 0.00 -1.36 0.00 0.00 55.97 55.83 1tjp s LYS 103 Cb 0.00 -2.60 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1tjp s LYS 103 CO 0.00 0.19 0.40 -1.13 -0.76 0.00 0.00 175.35 174.05 1tjp n SER 104 N 0.16 0.78 -4.18 2.83 3.41 -0.96 -4.26 113.62 111.40 1tjp n SER 104 Ca 0.03 -0.89 -0.20 0.00 -0.26 0.00 0.00 58.87 57.55 1tjp n SER 104 Cb 0.52 0.47 -0.13 0.00 -0.26 0.00 0.00 64.21 64.81 1tjp n SER 104 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1tjp s GLU 105 N -0.81 0.93 -0.06 4.33 2.02 -1.08 -1.78 118.70 122.24 1tjp s GLU 105 Ca 0.03 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.14 1tjp s GLU 105 Cb 0.03 -0.98 -0.00 0.00 0.10 0.00 0.00 34.13 33.28 1tjp s GLU 105 CO 0.10 0.23 -0.20 0.42 0.02 0.00 0.00 175.26 175.82 1tjp s ILE 106 N -1.11 1.70 -0.09 -1.63 -1.09 0.65 -0.95 121.20 118.68 1tjp s ILE 106 Ca 0.01 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.58 1tjp s ILE 106 Cb -0.09 -1.46 -0.02 0.00 -1.58 0.00 0.00 42.46 39.30 1tjp s ILE 106 CO 0.02 0.48 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.47 1tjp s ILE 107 N 0.09 3.28 0.04 2.92 1.01 -0.26 -0.68 121.20 127.61 1tjp s ILE 107 Ca -0.08 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1tjp s ILE 107 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 1tjp s ILE 107 CO 0.04 0.56 0.07 0.00 0.00 0.00 0.00 174.94 175.61 1tjp s ALA 108 N -0.29 0.04 0.16 9.38 0.00 -0.59 -0.15 121.76 130.31 1tjp s ALA 108 Ca 0.03 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.39 1tjp s ALA 108 Cb -0.13 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1tjp s ALA 108 CO 0.03 -0.32 0.05 -1.83 0.00 0.00 0.00 175.76 173.69 1tjp s GLU 109 N -2.73 2.60 -0.03 0.00 1.03 -1.26 -0.38 118.70 117.92 1tjp s GLU 109 Ca -0.04 -0.98 -0.19 0.00 0.03 0.00 0.00 54.97 53.79 1tjp s GLU 109 Cb -0.00 -2.49 0.04 0.00 -0.80 0.00 0.00 34.13 30.87 1tjp s GLU 109 CO -0.05 0.48 0.42 -0.08 -1.33 0.00 0.00 175.26 174.70 1tjp s THR 110 N -1.67 0.04 0.00 1.83 -1.32 -0.52 -4.42 115.64 109.59 1tjp s THR 110 Ca 0.28 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1tjp s THR 110 Cb -0.10 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 1tjp s THR 110 CO 0.20 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1tjp n GLY 111 N 1.24 -0.28 0.10 6.08 0.00 -1.26 -4.25 105.19 106.83 1tjp n GLY 111 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1tjp n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tjp n ALA 112 N -1.82 2.10 0.00 4.61 0.00 -1.26 -4.80 120.51 119.35 1tjp n ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tjp n ALA 112 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1tjp n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tjp n GLY 113 N 0.93 2.39 0.30 0.00 0.00 -1.26 -4.90 105.19 102.65 1tjp n GLY 113 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1tjp n GLY 113 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1tjp h GLN 114 N 2.11 1.05 -0.35 1.61 5.75 -1.97 -0.25 115.11 123.06 1tjp h GLN 114 Ca 0.00 -0.29 -0.11 0.00 -0.15 0.00 0.00 58.65 58.10 1tjp h GLN 114 Cb 0.00 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1tjp h GLN 114 CO 0.00 0.98 -0.25 1.25 -2.65 0.00 0.00 178.83 178.17 1tjp h HIS 115 N 0.96 0.80 -0.29 3.99 2.76 -1.93 0.23 115.15 121.67 1tjp h HIS 115 Ca 0.19 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1tjp h HIS 115 Cb 0.45 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1tjp h HIS 115 CO 0.03 0.88 0.19 0.78 -1.30 0.00 0.00 177.93 178.51 1tjp h GLY 116 N 0.98 0.40 1.00 5.26 0.00 -1.67 0.15 103.07 109.19 1tjp h GLY 116 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1tjp h GLY 116 CO 0.06 0.15 0.28 -2.08 0.00 0.00 0.00 176.54 174.95 1tjp h VAL 117 N 0.39 1.12 -0.66 4.60 2.07 -0.76 -0.48 116.25 122.53 1tjp h VAL 117 Ca 0.11 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1tjp h VAL 117 Cb -0.04 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1tjp h VAL 117 CO -0.02 0.12 0.18 0.00 0.02 0.00 0.00 177.57 177.87 1tjp h ALA 118 N 1.15 1.07 -0.35 1.67 0.00 -0.66 -0.17 119.26 121.96 1tjp h ALA 118 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1tjp h ALA 118 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1tjp h ALA 118 CO -0.03 0.62 -0.28 0.77 0.00 0.00 0.00 179.25 180.33 1tjp h SER 119 N 0.99 0.76 -0.41 0.00 0.02 -0.45 -1.81 113.55 112.65 1tjp h SER 119 Ca 0.21 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 1tjp h SER 119 Cb 0.32 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1tjp h SER 119 CO -0.00 1.00 -0.26 0.00 -1.14 0.00 0.00 176.83 176.43 1tjp h ALA 120 N 1.05 0.71 -0.15 3.77 0.00 -0.75 -1.27 119.26 122.62 1tjp h ALA 120 Ca 0.08 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 1tjp h ALA 120 Cb 0.80 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1tjp h ALA 120 CO 0.07 0.67 -0.65 1.37 0.00 0.00 0.00 179.25 180.70 1tjp h LEU 121 N 0.79 0.67 -0.86 0.00 8.10 -0.82 -0.28 115.31 122.91 1tjp h LEU 121 Ca 0.10 -0.40 -0.09 0.00 0.11 0.00 0.00 57.88 57.60 1tjp h LEU 121 Cb 0.82 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.83 1tjp h LEU 121 CO 0.07 1.15 -0.09 0.00 -4.11 0.00 0.00 178.44 175.45 1tjp h ALA 122 N 0.85 1.04 -0.20 0.17 0.00 -1.28 -1.23 119.26 118.61 1tjp h ALA 122 Ca -0.02 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1tjp h ALA 122 Cb 1.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1tjp h ALA 122 CO 0.12 0.58 -0.55 0.77 0.00 0.00 0.00 179.25 180.17 1tjp h SER 123 N 0.68 0.69 -0.32 0.00 0.02 -0.99 -1.16 113.55 112.47 1tjp h SER 123 Ca 0.12 -0.37 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 1tjp h SER 123 Cb 0.55 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1tjp h SER 123 CO 0.03 1.11 -0.04 0.00 -1.14 0.00 0.00 176.83 176.79 1tjp h ALA 124 N 0.91 0.44 -0.50 3.77 0.00 -0.83 -0.64 119.26 122.41 1tjp h ALA 124 Ca 0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1tjp h ALA 124 Cb 1.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1tjp h ALA 124 CO 0.11 0.23 -0.09 1.25 0.00 0.00 0.00 179.25 180.75 1tjp h LEU 125 N 0.38 0.90 -2.42 0.00 5.85 -1.11 -3.26 115.31 115.64 1tjp h LEU 125 Ca 0.09 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1tjp h LEU 125 Cb 0.51 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1tjp h LEU 125 CO 0.02 1.01 0.00 0.18 -0.34 0.00 0.00 178.44 179.31 1tjp n LEU 126 N -4.16 3.56 -1.21 2.25 4.77 -0.45 -4.97 117.00 116.79 1tjp n LEU 126 Ca 0.02 -1.68 -0.07 0.00 -0.03 0.00 0.00 56.01 54.25 1tjp n LEU 126 Cb 0.37 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1tjp n LEU 126 CO 0.44 0.84 0.02 0.61 -1.33 0.00 0.00 177.39 177.97 1tjp n GLY 127 N 1.56 0.36 3.57 -0.72 0.00 -0.49 -5.03 105.19 104.44 1tjp n GLY 127 Ca 0.22 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1tjp n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tjp s LEU 128 N -2.58 3.07 -0.30 0.99 1.43 -0.37 -4.99 118.68 115.93 1tjp s LEU 128 Ca 0.12 -0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 52.77 1tjp s LEU 128 Cb -0.05 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1tjp s LEU 128 CO 0.15 0.27 0.80 -1.59 0.23 0.00 0.00 176.35 176.21 1tjp s LYS 129 N -1.51 3.99 -0.17 1.70 0.00 -0.73 -4.49 119.74 118.52 1tjp s LYS 129 Ca 0.17 0.64 -0.04 0.00 0.00 0.00 0.00 55.97 56.74 1tjp s LYS 129 Cb -0.11 -3.72 -0.03 0.00 0.00 0.00 0.00 37.83 33.97 1tjp s LYS 129 CO 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 175.35 174.73 1tjp s ARG 131 N 0.54 2.14 -0.10 0.00 1.70 0.15 -0.98 118.95 122.40 1tjp s ARG 131 Ca -0.02 -0.79 0.03 0.00 -0.47 0.00 0.00 55.73 54.48 1tjp s ARG 131 Cb -0.14 -1.88 0.01 0.00 -0.57 0.00 0.00 34.95 32.37 1tjp s ARG 131 CO 0.02 0.36 -0.19 0.42 -1.08 0.00 0.00 175.30 174.84 1tjp s ILE 132 N -0.19 1.69 -0.12 4.99 1.01 0.72 -1.54 121.20 127.76 1tjp s ILE 132 Ca -0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1tjp s ILE 132 Cb -0.12 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1tjp s ILE 132 CO 0.02 0.48 0.26 -0.31 0.00 0.00 0.00 174.94 175.39 1tjp s TYR 133 N 0.64 3.55 -0.10 3.97 2.02 0.48 -0.04 117.35 127.87 1tjp s TYR 133 Ca -0.13 0.64 -0.05 0.00 -0.37 0.00 0.00 57.07 57.16 1tjp s TYR 133 Cb -0.16 -2.21 0.04 0.00 -0.40 0.00 0.00 41.96 39.23 1tjp s TYR 133 CO 0.04 0.46 0.23 1.41 -1.57 0.00 0.00 175.55 176.12 1tjp s MET 134 N -0.26 0.19 0.38 -0.62 1.75 -0.88 -1.43 119.30 118.44 1tjp s MET 134 Ca 0.17 0.51 -0.27 0.00 -1.25 0.00 0.00 55.69 54.85 1tjp s MET 134 Cb -0.13 -0.12 -0.11 0.00 2.84 0.00 0.00 34.83 37.30 1tjp s MET 134 CO 0.05 -0.16 1.23 0.41 -0.65 0.00 0.00 175.02 175.91 1tjp n GLY 135 N 4.19 0.43 0.30 2.11 0.00 -1.26 -0.35 105.19 110.61 1tjp n GLY 135 Ca -0.25 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1tjp n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tjp h ALA 136 N 2.21 1.96 -0.09 4.61 0.00 -0.37 0.34 119.26 127.92 1tjp h ALA 136 Ca -0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1tjp h ALA 136 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1tjp h ALA 136 CO 0.61 0.00 -0.34 0.87 0.00 0.00 0.00 179.25 180.39 1tjp h LYS 137 N 0.21 0.18 -0.02 0.00 1.57 -1.48 -2.10 116.57 114.94 1tjp h LYS 137 Ca 0.10 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 1tjp h LYS 137 Cb 0.13 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1tjp h LYS 137 CO -0.02 0.51 -0.97 -0.44 -0.57 0.00 0.00 179.45 177.96 1tjp h ASP 138 N 0.16 0.76 -0.77 0.86 3.32 -1.09 -2.88 116.42 116.78 1tjp h ASP 138 Ca 0.02 -0.59 0.06 0.00 0.02 0.00 0.00 57.03 56.54 1tjp h ASP 138 Cb 0.69 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 1tjp h ASP 138 CO 0.05 1.39 0.46 0.58 -1.72 0.00 0.00 179.24 180.00 1tjp h VAL 139 N 0.35 1.00 -0.68 -1.35 2.07 -0.94 -0.51 116.25 116.19 1tjp h VAL 139 Ca -0.10 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1tjp h VAL 139 Cb 1.61 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1tjp h VAL 139 CO 0.18 0.15 0.34 -0.08 0.02 0.00 0.00 177.57 178.19 1tjp h GLU 140 N 0.83 0.95 -0.18 1.57 4.57 -1.29 -2.93 114.58 118.10 1tjp h GLU 140 Ca 0.34 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1tjp h GLU 140 Cb 0.19 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1tjp h GLU 140 CO -0.18 0.72 0.00 2.89 -1.18 0.00 0.00 179.01 181.26 1tjp n ARG 141 N -4.35 2.26 -2.46 1.92 1.85 -0.87 -4.36 116.66 110.65 1tjp n ARG 141 Ca 0.06 -1.86 -0.15 0.00 -1.00 0.00 0.00 57.85 54.90 1tjp n ARG 141 Cb 0.12 -1.48 0.03 0.00 -1.05 0.00 0.00 32.46 30.08 1tjp n ARG 141 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1tjp n GLN 142 N 1.16 2.62 -0.25 2.89 1.13 -0.25 -4.88 117.38 119.78 1tjp n GLN 142 Ca 0.17 -3.89 0.06 0.00 -1.94 0.00 0.00 57.00 51.39 1tjp n GLN 142 Cb 0.54 -1.91 0.19 0.00 0.11 0.00 0.00 30.24 29.18 1tjp n GLN 142 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1tjp h SER 143 N 2.52 0.15 -0.17 1.08 0.02 -1.75 -1.37 113.55 114.03 1tjp h SER 143 Ca 0.13 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1tjp h SER 143 Cb 1.28 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 1tjp h SER 143 CO 0.57 0.02 0.04 -0.65 -1.14 0.00 0.00 176.83 175.68 1tjp h PRO 144 N 0.35 0.12 -0.40 3.45 0.11 -1.93 -1.74 132.00 131.96 1tjp h PRO 144 Ca 0.42 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.48 1tjp h PRO 144 Cb 0.70 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1tjp h PRO 144 CO -0.46 0.08 0.04 -0.91 -0.21 0.00 0.00 178.00 176.53 1tjp h ASN 145 N 0.12 0.59 -0.79 -2.05 -0.26 -1.73 -1.20 115.58 110.25 1tjp h ASN 145 Ca 0.08 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 1tjp h ASN 145 Cb 0.06 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.13 1tjp h ASN 145 CO -0.09 0.63 0.33 0.58 -1.06 0.00 0.00 177.43 177.82 1tjp h VAL 146 N 0.60 1.26 -0.48 2.81 2.07 -0.91 -1.34 116.25 120.26 1tjp h VAL 146 Ca 0.13 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1tjp h VAL 146 Cb 0.32 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1tjp h VAL 146 CO 0.01 0.33 -0.06 0.15 0.02 0.00 0.00 177.57 178.02 1tjp h PHE 147 N 1.16 0.98 -0.26 1.57 3.57 -0.80 -1.68 116.94 121.47 1tjp h PHE 147 Ca 0.27 -0.19 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1tjp h PHE 147 Cb 0.20 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1tjp h PHE 147 CO 0.02 0.95 0.06 0.00 -2.23 0.00 0.00 178.31 177.11 1tjp h ARG 148 N 0.74 0.16 -0.52 1.11 3.08 -0.92 0.40 114.38 118.43 1tjp h ARG 148 Ca 0.13 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.22 1tjp h ARG 148 Cb 0.60 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 1tjp h ARG 148 CO 0.04 0.11 0.24 0.52 -1.07 0.00 0.00 179.97 179.81 1tjp h MET 149 N 0.17 0.46 -0.41 0.04 2.86 -0.97 -1.90 114.93 115.17 1tjp h MET 149 Ca 0.12 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1tjp h MET 149 Cb 0.11 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1tjp h MET 149 CO -0.15 0.30 -0.18 0.00 1.06 0.00 0.00 176.91 177.94 1tjp h ARG 150 N 0.47 0.79 -0.41 1.72 3.08 -0.96 -1.24 114.38 117.83 1tjp h ARG 150 Ca 0.24 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1tjp h ARG 150 Cb 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1tjp h ARG 150 CO -0.19 0.92 0.26 -0.07 -1.07 0.00 0.00 179.97 179.82 1tjp h LEU 151 N 0.70 0.48 -0.37 3.04 3.38 -0.66 0.09 115.31 121.98 1tjp h LEU 151 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1tjp h LEU 151 Cb 0.69 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1tjp h LEU 151 CO 0.05 0.36 0.00 0.23 0.09 0.00 0.00 178.44 179.17 1tjp n MET 152 N -4.46 1.24 -0.60 1.13 2.81 -0.74 -4.90 117.12 111.59 1tjp n MET 152 Ca 0.03 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.56 1tjp n MET 152 Cb 0.07 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1tjp n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tjp n GLY 153 N 0.74 0.75 3.84 3.03 0.00 0.02 -4.57 105.19 109.01 1tjp n GLY 153 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1tjp n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tjp s ALA 154 N -2.65 3.27 -0.16 4.61 0.00 -0.51 -4.70 121.76 121.61 1tjp s ALA 154 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.87 1tjp s ALA 154 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1tjp s ALA 154 CO 0.00 0.29 0.58 -2.00 0.00 0.00 0.00 175.76 174.64 1tjp s GLU 155 N -3.02 4.27 -0.21 0.00 2.12 -0.15 -4.17 118.70 117.53 1tjp s GLU 155 Ca 0.56 0.58 -0.06 0.00 0.36 0.00 0.00 54.97 56.40 1tjp s GLU 155 Cb -0.10 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1tjp s GLU 155 CO 0.17 -0.09 0.04 0.08 -0.54 0.00 0.00 175.26 174.92 1tjp s VAL 156 N 1.39 4.24 -0.26 3.70 1.01 -1.26 -0.20 120.40 129.03 1tjp s VAL 156 Ca 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1tjp s VAL 156 Cb -0.16 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.32 1tjp s VAL 156 CO 0.11 0.40 -0.07 -0.63 0.00 0.00 0.00 175.10 174.91 1tjp s ILE 157 N 1.09 2.66 0.39 2.22 1.01 0.94 -4.96 121.20 124.56 1tjp s ILE 157 Ca 0.03 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.18 1tjp s ILE 157 Cb -0.14 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 39.82 1tjp s ILE 157 CO 0.02 0.10 1.20 -2.84 0.00 0.00 0.00 174.94 173.43 1tjp s PRO 158 N 1.25 4.08 -0.23 2.79 0.02 -1.26 -2.07 135.00 139.58 1tjp s PRO 158 Ca -0.03 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 1tjp s PRO 158 Cb -0.18 -2.74 0.02 0.00 0.02 0.00 0.00 34.50 31.62 1tjp s PRO 158 CO -0.05 -0.33 -0.08 0.08 -0.33 0.00 0.00 177.00 176.30 1tjp s VAL 159 N -1.35 2.86 -1.65 3.83 1.01 0.53 -4.84 120.40 120.79 1tjp s VAL 159 Ca 0.56 -0.87 0.23 0.00 0.00 0.00 0.00 61.98 61.90 1tjp s VAL 159 Cb -0.33 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1tjp s VAL 159 CO 0.42 0.32 1.09 1.41 0.00 0.00 0.00 175.10 178.34 1tjp n HIS 160 N 4.69 0.00 -1.46 5.22 8.25 -1.26 -0.29 115.22 130.37 1tjp n HIS 160 Ca -0.18 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.97 1tjp n HIS 160 Cb 0.49 -0.02 0.07 0.00 1.12 0.00 0.00 29.99 31.64 1tjp n HIS 160 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1tjp s SER 161 N -2.66 5.04 1.52 0.41 1.04 -1.26 -4.55 113.70 113.24 1tjp s SER 161 Ca 0.15 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.29 1tjp s SER 161 Cb 0.18 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1tjp s SER 161 CO 0.66 -1.67 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1tjp n GLY 162 N -1.64 3.34 0.28 7.32 0.00 -1.26 -1.12 105.19 112.11 1tjp n GLY 162 Ca 0.08 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1tjp n GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tjp n SER 163 N 3.89 0.87 -3.54 1.61 3.41 -1.26 -4.93 113.62 113.67 1tjp n SER 163 Ca 0.00 -1.33 -0.26 0.00 -0.26 0.00 0.00 58.87 57.02 1tjp n SER 163 Cb 0.00 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1tjp n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tjp n ALA 164 N -0.31 -1.15 -3.00 7.33 0.00 -0.28 -4.80 120.51 118.30 1tjp n ALA 164 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1tjp n ALA 164 Cb 0.24 -3.99 0.00 0.00 0.00 0.00 0.00 19.45 15.70 1tjp n ALA 164 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1tjp n THR 165 N -4.47 0.00 -0.11 0.00 5.66 -1.26 -1.32 114.28 112.77 1tjp n THR 165 Ca -0.01 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.94 1tjp n THR 165 Cb 0.55 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.35 1tjp n THR 165 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1tjp h LEU 166 N 0.00 -0.19 -1.59 1.09 5.85 -1.92 -1.45 115.31 117.10 1tjp h LEU 166 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1tjp h LEU 166 Cb 0.00 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1tjp h LEU 166 CO 0.00 -0.06 0.22 0.07 -0.34 0.00 0.00 178.44 178.34 1tjp h LYS 167 N 0.08 0.50 -0.14 1.25 2.10 -1.96 -0.07 116.57 118.33 1tjp h LYS 167 Ca 0.18 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 58.64 1tjp h LYS 167 Cb 0.26 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1tjp h LYS 167 CO -0.32 0.35 -0.57 -0.44 -2.00 0.00 0.00 179.45 176.47 1tjp h ASP 168 N 0.51 0.48 -0.15 7.07 3.32 -1.63 -0.75 116.42 125.27 1tjp h ASP 168 Ca 0.14 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.80 1tjp h ASP 168 Cb -0.02 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1tjp h ASP 168 CO -0.03 0.95 -0.29 0.00 -1.72 0.00 0.00 179.24 178.15 1tjp h ALA 169 N 1.06 0.92 -0.30 3.45 0.00 -0.51 -1.82 119.26 122.05 1tjp h ALA 169 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1tjp h ALA 169 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1tjp h ALA 169 CO 0.10 0.62 0.19 0.00 0.00 0.00 0.00 179.25 180.15 1tjp h ASN 171 N 0.39 0.49 -0.52 0.00 2.35 -0.98 -2.18 115.58 115.14 1tjp h ASN 171 Ca 0.11 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1tjp h ASN 171 Cb 0.00 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1tjp h ASN 171 CO -0.02 0.35 0.03 -0.08 -1.65 0.00 0.00 177.43 176.05 1tjp h GLU 172 N 0.61 0.94 -0.69 0.81 4.57 -0.91 -0.22 114.58 119.69 1tjp h GLU 172 Ca 0.21 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1tjp h GLU 172 Cb 0.03 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1tjp h GLU 172 CO -0.10 0.92 0.44 0.00 -1.18 0.00 0.00 179.01 179.09 1tjp h ALA 173 N 1.15 0.88 -0.13 2.92 0.00 -0.79 -0.56 119.26 122.73 1tjp h ALA 173 Ca 0.17 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1tjp h ALA 173 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1tjp h ALA 173 CO 0.02 0.32 -0.45 -0.07 0.00 0.00 0.00 179.25 179.08 1tjp h LEU 174 N 0.94 0.33 -0.49 0.00 3.38 -0.75 -0.95 115.31 117.78 1tjp h LEU 174 Ca 0.25 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1tjp h LEU 174 Cb -0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1tjp h LEU 174 CO -0.05 0.74 0.16 0.03 0.09 0.00 0.00 178.44 179.40 1tjp h ARG 175 N 0.26 0.75 -0.02 1.13 3.08 -0.50 -0.80 114.38 118.28 1tjp h ARG 175 Ca 0.02 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1tjp h ARG 175 Cb 0.89 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1tjp h ARG 175 CO 0.07 0.71 0.01 0.22 -1.07 0.00 0.00 179.97 179.91 1tjp h ASP 176 N 0.65 0.03 -0.40 7.04 1.82 -0.96 -2.81 116.42 121.79 1tjp h ASP 176 Ca 0.16 -0.15 0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1tjp h ASP 176 Cb 0.26 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 1tjp h ASP 176 CO -0.01 0.17 0.27 -0.25 -1.61 0.00 0.00 179.24 177.82 1tjp h TRP 177 N -0.12 0.39 0.00 0.28 7.01 -1.04 -0.07 115.95 122.41 1tjp h TRP 177 Ca 0.01 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1tjp h TRP 177 Cb 0.15 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1tjp h TRP 177 CO -0.02 0.23 0.00 0.77 -2.79 0.00 0.00 178.44 176.62 1tjp h SER 178 N 0.41 0.00 -0.00 2.65 0.02 -0.87 -0.94 113.55 114.82 1tjp h SER 178 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1tjp h SER 178 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1tjp h SER 178 CO -0.04 0.00 -0.08 0.61 -1.14 0.00 0.00 176.83 176.18 1tjp n GLY 179 N -0.90 0.21 0.00 -3.77 0.00 -0.17 -4.75 105.19 95.82 1tjp n GLY 179 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1tjp n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tjp n SER 180 N -0.71 1.16 0.24 1.61 3.41 -0.45 -4.79 113.62 114.08 1tjp n SER 180 Ca 0.01 -1.38 0.17 0.00 -0.26 0.00 0.00 58.87 57.41 1tjp n SER 180 Cb 0.05 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 64.75 1tjp n SER 180 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1tjp h TYR 181 N 0.00 0.00 0.00 7.33 -0.00 -1.39 -0.59 116.97 122.32 1tjp h TYR 181 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 1tjp h TYR 181 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.07 1tjp h TYR 181 CO 0.00 0.00 -0.33 0.93 -0.00 0.00 0.00 178.16 178.76 1tjp h GLU 182 N 0.00 0.00 0.00 0.10 4.39 -1.87 -3.30 114.58 113.90 1tjp h GLU 182 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1tjp h GLU 182 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1tjp h GLU 182 CO -0.00 0.33 -0.53 0.25 -1.16 0.00 0.00 179.01 177.90 1tjp n THR 183 N -3.77 0.00 -4.53 1.13 -2.24 -0.51 -4.92 114.28 99.43 1tjp n THR 183 Ca -0.01 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 1tjp n THR 183 Cb 0.41 0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 69.27 1tjp n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tjp s ALA 184 N -1.58 2.40 -0.09 6.98 0.00 -0.34 -2.27 121.76 126.85 1tjp s ALA 184 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 1tjp s ALA 184 Cb 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1tjp s ALA 184 CO 0.06 0.55 -0.06 -1.58 0.00 0.00 0.00 175.76 174.73 1tjp s HIS 185 N -0.99 2.97 -0.45 0.00 2.46 -0.13 -4.40 115.29 114.76 1tjp s HIS 185 Ca 0.14 -0.08 -0.21 0.00 0.47 0.00 0.00 55.06 55.38 1tjp s HIS 185 Cb -0.10 -1.78 0.03 0.00 -0.13 0.00 0.00 32.58 30.59 1tjp s HIS 185 CO 0.05 0.22 0.66 -0.47 -2.47 0.00 0.00 174.74 172.74 1tjp s TYR 186 N -0.47 3.05 -1.02 3.88 5.04 -1.26 -1.10 117.35 125.47 1tjp s TYR 186 Ca 0.07 -0.07 -0.16 0.00 -2.44 0.00 0.00 57.07 54.46 1tjp s TYR 186 Cb -0.12 -3.40 0.16 0.00 0.35 0.00 0.00 41.96 38.94 1tjp s TYR 186 CO 0.02 -0.90 1.20 1.41 -1.34 0.00 0.00 175.55 175.94 1tjp s MET 187 N 2.87 3.79 0.44 4.97 -2.45 0.79 -4.95 119.30 124.76 1tjp s MET 187 Ca 0.23 -2.14 -0.24 0.00 -1.25 0.00 0.00 55.69 52.29 1tjp s MET 187 Cb -0.14 -4.92 -0.08 0.00 1.25 0.00 0.00 34.83 30.94 1tjp s MET 187 CO 0.19 -1.72 1.23 -1.17 1.05 0.00 0.00 175.02 174.60 1tjp s LEU 188 N 2.00 4.10 0.00 4.11 0.20 -1.26 -4.47 118.68 123.36 1tjp s LEU 188 Ca 0.35 2.48 0.24 0.00 0.69 0.00 0.00 54.13 57.90 1tjp s LEU 188 Cb -0.05 -4.08 0.71 0.00 -0.43 0.00 0.00 46.19 42.34 1tjp s LEU 188 CO -0.06 -0.92 1.55 0.61 -0.29 0.00 0.00 176.35 177.24 1tjp n GLY 189 N 0.60 0.51 3.53 7.98 0.00 -1.26 -4.97 105.19 111.57 1tjp n GLY 189 Ca 0.06 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1tjp n GLY 189 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1tjp s THR 190 N -1.87 0.00 -1.31 2.61 -1.32 -1.26 -4.94 115.64 107.54 1tjp s THR 190 Ca 0.34 -1.53 -0.07 0.00 -1.21 0.00 0.00 61.69 59.23 1tjp s THR 190 Cb 0.20 -2.64 0.02 0.00 -1.51 0.00 0.00 72.50 68.56 1tjp s THR 190 CO 0.30 0.00 2.70 0.00 -2.21 0.00 0.00 174.62 175.41 1tjp n ALA 191 N -0.55 7.06 -3.08 11.08 0.00 -1.26 -4.75 120.51 129.00 1tjp n ALA 191 Ca -0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 53.44 49.74 1tjp n ALA 191 Cb 0.61 -2.94 -0.00 0.00 0.00 0.00 0.00 19.45 17.13 1tjp n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tjp n ALA 192 N 2.40 -0.03 0.00 0.00 0.00 -1.26 -4.01 120.51 117.61 1tjp n ALA 192 Ca 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1tjp n ALA 192 Cb 0.29 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1tjp n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tjp n GLY 193 N -0.05 -2.34 3.78 0.00 0.00 -1.26 -3.99 105.19 101.35 1tjp n GLY 193 Ca 0.00 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 1tjp n GLY 193 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tjp s PRO 194 N -0.40 3.18 0.47 1.61 0.04 -1.23 -4.53 135.00 134.15 1tjp s PRO 194 Ca 0.00 1.42 -0.25 0.00 0.04 0.00 0.00 61.00 62.21 1tjp s PRO 194 Cb 0.00 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1tjp s PRO 194 CO 0.00 -0.95 1.42 1.58 0.04 0.00 0.00 177.00 179.09 1tjp n HIS 195 N -1.84 2.63 1.06 0.56 -0.00 -0.34 -1.34 115.22 115.95 1tjp n HIS 195 Ca 0.10 0.44 0.08 0.00 -0.00 0.00 0.00 57.72 58.34 1tjp n HIS 195 Cb 0.52 -2.44 0.25 0.00 -0.00 0.00 0.00 29.99 28.31 1tjp n HIS 195 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1tjp n PRO 196 N -0.34 1.75 -0.21 1.57 -0.04 -1.26 -4.86 135.00 131.60 1tjp n PRO 196 Ca 0.06 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1tjp n PRO 196 Cb 0.42 -1.32 0.11 0.00 -0.04 0.00 0.00 33.50 32.68 1tjp n PRO 196 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1tjp h TYR 197 N 2.04 0.46 -0.58 0.54 0.05 -1.50 -0.68 116.97 117.30 1tjp h TYR 197 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1tjp h TYR 197 Cb 0.46 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 1tjp h TYR 197 CO 0.18 0.14 0.38 -1.35 -1.05 0.00 0.00 178.16 176.45 1tjp h PRO 198 N 0.46 0.77 -0.09 4.88 0.11 -1.76 0.43 132.00 136.80 1tjp h PRO 198 Ca 0.31 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 1tjp h PRO 198 Cb 0.37 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.31 1tjp h PRO 198 CO -0.29 0.52 -0.50 1.15 -0.21 0.00 0.00 178.00 178.67 1tjp h THR 199 N 0.79 1.37 -0.37 -1.15 2.02 -1.78 -2.69 112.91 111.10 1tjp h THR 199 Ca 0.21 -1.84 -0.04 0.00 0.77 0.00 0.00 66.41 65.51 1tjp h THR 199 Cb -0.07 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1tjp h THR 199 CO -0.04 0.55 0.09 0.40 0.37 0.00 0.00 175.52 176.88 1tjp h ILE 200 N 0.09 1.23 -0.46 3.11 2.04 -0.71 -1.20 117.51 121.59 1tjp h ILE 200 Ca -0.04 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 1tjp h ILE 200 Cb 1.15 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1tjp h ILE 200 CO 0.10 0.27 0.01 0.58 0.00 0.00 0.00 178.15 179.11 1tjp h VAL 201 N 0.46 1.26 -0.32 1.67 2.07 -1.02 -0.25 116.25 120.12 1tjp h VAL 201 Ca 0.12 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1tjp h VAL 201 Cb 0.31 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1tjp h VAL 201 CO 0.00 0.36 0.07 -0.09 0.02 0.00 0.00 177.57 177.94 1tjp h ARG 202 N 0.67 0.19 0.00 1.57 2.43 -1.33 -1.45 114.38 116.45 1tjp h ARG 202 Ca 0.13 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1tjp h ARG 202 Cb 0.49 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1tjp h ARG 202 CO 0.02 0.12 -0.22 0.93 -1.51 0.00 0.00 179.97 179.32 1tjp h GLU 203 N 0.19 0.00 -0.01 0.20 4.39 -0.63 -0.30 114.58 118.42 1tjp h GLU 203 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1tjp h GLU 203 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1tjp h GLU 203 CO -0.19 0.22 -0.06 1.19 -1.16 0.00 0.00 179.01 179.01 1tjp n PHE 204 N -3.79 0.00 0.16 4.33 3.72 -0.16 -3.50 117.46 118.22 1tjp n PHE 204 Ca -0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.40 1tjp n PHE 204 Cb 0.32 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 38.83 1tjp n PHE 204 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1tjp n GLN 205 N -0.19 -0.33 0.05 -1.08 1.13 -0.57 -3.63 117.38 112.76 1tjp n GLN 205 Ca 0.18 -0.71 0.09 0.00 -1.94 0.00 0.00 57.00 54.62 1tjp n GLN 205 Cb 0.33 -1.06 0.40 0.00 0.11 0.00 0.00 30.24 30.01 1tjp n GLN 205 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1tjp n ARG 206 N 0.19 0.08 0.25 -1.09 1.85 -0.23 -1.57 116.66 116.13 1tjp n ARG 206 Ca 0.02 0.28 0.17 0.00 -1.00 0.00 0.00 57.85 57.32 1tjp n ARG 206 Cb 0.09 -1.64 0.74 0.00 -1.05 0.00 0.00 32.46 30.61 1tjp n ARG 206 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tjp h MET 207 N 0.00 0.00 0.46 2.89 -0.00 -1.83 -1.56 114.93 114.89 1tjp h MET 207 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1tjp h MET 207 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1tjp h MET 207 CO 0.00 0.00 -0.22 0.82 -0.00 0.00 0.00 176.91 177.51 1tjp h ILE 208 N 0.00 0.54 -0.25 -0.10 2.04 -1.44 -0.71 117.51 117.59 1tjp h ILE 208 Ca 0.00 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1tjp h ILE 208 Cb 0.34 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1tjp h ILE 208 CO 0.00 0.02 -0.44 1.23 0.00 0.00 0.00 178.15 178.96 1tjp h GLY 209 N -0.68 0.67 0.98 5.37 0.00 -0.96 -1.78 103.07 106.67 1tjp h GLY 209 Ca -0.06 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1tjp h GLY 209 CO 0.10 0.63 0.17 0.83 0.00 0.00 0.00 176.54 178.27 1tjp h GLU 210 N 0.50 0.36 -0.56 4.80 5.08 -1.21 -0.04 114.58 123.50 1tjp h GLU 210 Ca 0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1tjp h GLU 210 Cb 0.96 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1tjp h GLU 210 CO 0.09 0.27 0.25 0.93 -1.00 0.00 0.00 179.01 179.54 1tjp h GLU 211 N 0.35 0.83 -0.81 2.33 5.08 -1.11 -2.41 114.58 118.84 1tjp h GLU 211 Ca 0.10 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1tjp h GLU 211 Cb -0.00 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1tjp h GLU 211 CO -0.02 0.70 0.53 1.15 -1.00 0.00 0.00 179.01 180.37 1tjp h THR 212 N 0.77 1.17 -0.46 1.13 2.02 -1.11 0.25 112.91 116.68 1tjp h THR 212 Ca 0.19 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1tjp h THR 212 Cb 0.16 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1tjp h THR 212 CO -0.02 0.19 0.19 0.50 0.37 0.00 0.00 175.52 176.75 1tjp h LYS 213 N 1.06 0.68 -0.55 6.66 3.64 -0.84 0.54 116.57 127.77 1tjp h LYS 213 Ca 0.31 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1tjp h LYS 213 Cb -0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1tjp h LYS 213 CO -0.09 0.62 -0.04 0.00 -2.27 0.00 0.00 179.45 177.67 1tjp h ALA 214 N 1.03 0.74 -0.43 5.00 0.00 -0.84 -1.44 119.26 123.32 1tjp h ALA 214 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1tjp h ALA 214 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tjp h ALA 214 CO -0.01 0.60 -0.11 1.96 0.00 0.00 0.00 179.25 181.69 1tjp h GLN 215 N 0.87 0.83 -0.20 0.00 4.20 -0.23 -1.56 115.11 119.02 1tjp h GLN 215 Ca 0.15 -0.32 -0.14 0.00 0.06 0.00 0.00 58.65 58.40 1tjp h GLN 215 Cb 0.59 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1tjp h GLN 215 CO 0.04 0.95 -0.46 0.97 -0.67 0.00 0.00 178.83 179.66 1tjp h ILE 216 N 0.66 1.31 -0.63 2.54 6.09 -0.80 -1.10 117.51 125.58 1tjp h ILE 216 Ca 0.11 -1.66 -0.06 0.00 -1.37 0.00 0.00 64.86 61.88 1tjp h ILE 216 Cb 0.64 1.65 -0.03 0.00 0.47 0.00 0.00 36.82 39.56 1tjp h ILE 216 CO 0.04 0.52 0.15 -0.07 -3.07 0.00 0.00 178.15 175.72 1tjp h LEU 217 N 0.42 0.96 -0.56 2.19 3.38 -1.18 0.16 115.31 120.68 1tjp h LEU 217 Ca 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1tjp h LEU 217 Cb 0.96 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1tjp h LEU 217 CO 0.09 0.94 0.26 -0.78 0.09 0.00 0.00 178.44 179.04 1tjp h ASP 218 N 0.93 0.74 0.80 -0.43 3.58 -1.02 -0.11 116.42 120.91 1tjp h ASP 218 Ca 0.20 -0.14 -0.21 0.00 0.42 0.00 0.00 57.03 57.30 1tjp h ASP 218 Cb 0.36 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1tjp h ASP 218 CO 0.00 0.67 -1.31 0.11 -2.88 0.00 0.00 179.24 175.83 1tjp h LYS 219 N 0.76 0.00 0.00 0.28 1.57 -0.97 -3.40 116.57 114.81 1tjp h LYS 219 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1tjp h LYS 219 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1tjp h LYS 219 CO -0.02 0.51 -0.30 0.39 -0.57 0.00 0.00 179.45 179.46 1tjp n GLU 220 N -3.07 4.36 -1.18 3.15 -0.58 0.53 -5.03 120.64 118.82 1tjp n GLU 220 Ca -0.09 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.59 1tjp n GLU 220 Cb 0.91 -0.61 -0.03 0.00 -0.57 0.00 0.00 31.44 31.15 1tjp n GLU 220 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tjp n GLY 221 N 1.33 0.82 3.72 0.62 0.00 -0.05 -4.96 105.19 106.67 1tjp n GLY 221 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 1tjp n GLY 221 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tjp s ARG 222 N -2.15 1.44 0.62 1.61 1.70 -1.26 -4.99 118.95 115.91 1tjp s ARG 222 Ca 0.00 -0.74 -0.10 0.00 -0.47 0.00 0.00 55.73 54.42 1tjp s ARG 222 Cb 0.00 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 1tjp s ARG 222 CO 0.00 -0.65 1.01 -0.51 -1.08 0.00 0.00 175.30 174.06 1tjp s LEU 223 N -2.86 3.22 0.79 -1.89 1.43 -1.26 -4.03 118.68 114.08 1tjp s LEU 223 Ca 0.09 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 1tjp s LEU 223 Cb -0.03 -4.26 0.07 0.00 0.03 0.00 0.00 46.19 41.99 1tjp s LEU 223 CO 0.01 -0.92 1.11 -2.84 0.23 0.00 0.00 176.35 173.93 1tjp s PRO 224 N -5.15 2.05 0.18 1.29 0.02 -1.26 -4.93 135.00 127.21 1tjp s PRO 224 Ca 0.55 1.30 0.05 0.00 0.02 0.00 0.00 61.00 62.91 1tjp s PRO 224 Cb -0.11 -1.86 0.06 0.00 0.02 0.00 0.00 34.50 32.60 1tjp s PRO 224 CO 0.52 -1.82 1.42 -0.44 -0.33 0.00 0.00 177.00 176.36 1tjp h ASP 225 N -1.11 0.18 -5.00 2.53 3.32 -0.77 -3.41 116.42 112.15 1tjp h ASP 225 Ca -0.44 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 1tjp h ASP 225 Cb 1.24 -0.05 -0.18 0.00 0.22 0.00 0.00 39.33 40.56 1tjp h ASP 225 CO 0.49 0.92 0.14 0.00 -1.72 0.00 0.00 179.24 179.07 1tjp s ALA 226 N -3.27 -1.63 -0.04 3.45 0.00 -1.16 -0.84 121.76 118.27 1tjp s ALA 226 Ca -0.02 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1tjp s ALA 226 Cb 0.11 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1tjp s ALA 226 CO 0.81 -0.41 -0.24 0.14 0.00 0.00 0.00 175.76 176.06 1tjp s VAL 227 N -1.56 2.24 -0.05 0.00 -7.23 0.08 -1.82 120.40 112.05 1tjp s VAL 227 Ca -0.10 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.07 1tjp s VAL 227 Cb -0.01 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.14 1tjp s VAL 227 CO 0.06 0.58 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.68 1tjp s ILE 228 N -0.52 1.11 -0.02 -0.62 1.01 0.48 -1.29 121.20 121.35 1tjp s ILE 228 Ca 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 1tjp s ILE 228 Cb -0.11 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1tjp s ILE 228 CO 0.00 0.34 0.21 0.00 0.00 0.00 0.00 174.94 175.49 1tjp s ALA 229 N 0.46 -0.51 0.60 9.38 0.00 -0.34 -1.01 121.76 130.34 1tjp s ALA 229 Ca -0.10 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 1tjp s ALA 229 Cb -0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1tjp s ALA 229 CO 0.03 -0.20 1.06 0.00 0.00 0.00 0.00 175.76 176.66 1tjp s VAL 231 N -2.44 0.77 -0.08 0.00 1.01 0.17 -4.12 120.40 115.73 1tjp s VAL 231 Ca 0.64 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1tjp s VAL 231 Cb -0.17 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1tjp s VAL 231 CO 0.37 -0.40 -0.15 0.61 0.00 0.00 0.00 175.10 175.54 1tjp n GLY 232 N 4.93 -0.53 0.02 4.51 0.00 -1.26 -4.42 105.19 108.44 1tjp n GLY 232 Ca -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1tjp n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tjp n GLY 233 N 1.51 -0.37 0.00 -0.02 0.00 -1.26 -4.59 105.19 100.46 1tjp n GLY 233 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1tjp n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tjp n GLY 234 N 2.35 1.04 0.09 -0.02 0.00 -1.26 -0.46 105.19 106.93 1tjp n GLY 234 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1tjp n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tjp h SER 235 N 0.00 0.17 -0.05 1.61 4.64 -1.91 -0.79 113.55 117.22 1tjp h SER 235 Ca 0.00 -0.52 -0.09 0.00 -0.47 0.00 0.00 61.79 60.71 1tjp h SER 235 Cb 0.00 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1tjp h SER 235 CO 0.00 0.66 -0.23 -0.55 -0.87 0.00 0.00 176.83 175.84 1tjp h ASN 236 N -0.31 0.46 -0.24 4.97 -1.07 -1.97 -0.81 115.58 116.61 1tjp h ASN 236 Ca 0.01 -0.15 -0.09 0.00 0.07 0.00 0.00 56.30 56.14 1tjp h ASN 236 Cb 0.62 -0.13 -0.00 0.00 -2.07 0.00 0.00 38.32 36.74 1tjp h ASN 236 CO 0.02 0.69 -0.19 0.00 0.07 0.00 0.00 177.43 178.03 1tjp h ALA 237 N 1.35 0.35 0.00 4.14 0.00 -1.70 -1.37 119.26 122.02 1tjp h ALA 237 Ca 0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1tjp h ALA 237 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1tjp h ALA 237 CO 0.04 0.28 -0.47 0.97 0.00 0.00 0.00 179.25 180.07 1tjp h ILE 238 N 0.27 1.34 -0.64 0.00 6.09 -1.06 0.10 117.51 123.61 1tjp h ILE 238 Ca 0.05 -1.63 -0.08 0.00 -1.37 0.00 0.00 64.86 61.83 1tjp h ILE 238 Cb 0.72 1.88 -0.03 0.00 0.47 0.00 0.00 36.82 39.87 1tjp h ILE 238 CO 0.05 0.46 0.07 1.23 -3.07 0.00 0.00 178.15 176.90 1tjp h GLY 239 N 1.42 1.16 1.00 8.18 0.00 -0.94 0.13 103.07 114.02 1tjp h GLY 239 Ca -0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.40 1tjp h GLY 239 CO 0.06 0.73 -0.38 1.98 0.00 0.00 0.00 176.54 178.93 1tjp h MET 240 N 1.00 0.72 -0.25 4.80 1.85 -0.85 -1.46 114.93 120.74 1tjp h MET 240 Ca 0.19 -0.42 -0.10 0.00 -0.61 0.00 0.00 59.70 58.76 1tjp h MET 240 Cb 0.47 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.52 1tjp h MET 240 CO 0.02 1.04 -0.28 0.74 -0.40 0.00 0.00 176.91 178.03 1tjp h PHE 241 N 0.45 0.56 -0.26 1.39 0.04 -0.61 -3.36 116.94 115.16 1tjp h PHE 241 Ca 0.03 -0.13 0.06 0.00 2.80 0.00 0.00 57.97 60.73 1tjp h PHE 241 Cb 0.97 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.91 1tjp h PHE 241 CO 0.08 0.73 -0.22 0.00 -0.60 0.00 0.00 178.31 178.29 1tjp h ALA 242 N 1.27 -0.08 0.00 2.45 0.00 -1.10 0.14 119.26 121.93 1tjp h ALA 242 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1tjp h ALA 242 Cb 0.72 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1tjp h ALA 242 CO 0.05 -0.64 0.00 -3.47 0.00 0.00 0.00 179.25 175.19 1tjp n ASP 243 N -5.37 0.00 -0.40 0.00 2.03 -1.26 -2.32 116.55 109.23 1tjp n ASP 243 Ca -0.01 0.43 0.09 0.00 0.52 0.00 0.00 54.79 55.83 1tjp n ASP 243 Cb 0.28 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.21 1tjp n ASP 243 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1tjp n PHE 244 N -1.46 0.00 -0.33 -0.67 3.72 0.44 -4.60 117.46 114.55 1tjp n PHE 244 Ca 0.04 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.46 1tjp n PHE 244 Cb 0.15 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.86 1tjp n PHE 244 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1tjp h ILE 245 N 1.94 1.01 -0.01 4.37 2.04 -1.03 -0.30 117.51 125.54 1tjp h ILE 245 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1tjp h ILE 245 Cb 0.62 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1tjp h ILE 245 CO 0.00 0.18 -0.00 0.59 0.00 0.00 0.00 178.15 178.92 1tjp n ASN 246 N -4.62 0.60 -4.38 1.72 3.02 -1.26 -4.39 115.26 105.95 1tjp n ASN 246 Ca 0.14 -1.19 -0.45 0.00 -0.03 0.00 0.00 54.58 53.05 1tjp n ASN 246 Cb 0.23 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 1tjp n ASN 246 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1tjp s ASP 247 N -2.01 6.85 0.61 6.41 1.01 -0.12 -4.91 116.67 124.50 1tjp s ASP 247 Ca 0.44 -2.68 0.32 0.00 0.71 0.00 0.00 52.55 51.33 1tjp s ASP 247 Cb 0.22 -2.28 1.83 0.00 1.01 0.00 0.00 42.92 43.69 1tjp s ASP 247 CO 0.36 -0.69 2.18 0.71 0.21 0.00 0.00 175.17 177.95 1tjp h THR 248 N 4.89 0.39 0.00 -1.27 1.35 -1.79 -0.81 112.91 115.67 1tjp h THR 248 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1tjp h THR 248 Cb 0.99 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1tjp h THR 248 CO 0.94 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.67 1tjp n SER 249 N -3.65 0.64 -4.61 5.36 3.41 -1.26 -4.72 113.62 108.79 1tjp n SER 249 Ca -0.01 0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 58.80 1tjp n SER 249 Cb 0.21 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.33 1tjp n SER 249 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1tjp s VAL 250 N -3.17 4.99 0.38 -3.33 1.01 -0.31 -4.81 120.40 115.16 1tjp s VAL 250 Ca 0.08 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.71 1tjp s VAL 250 Cb 0.11 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1tjp s VAL 250 CO 0.49 -0.04 1.14 -0.83 0.00 0.00 0.00 175.10 175.87 1tjp s GLY 251 N 1.58 2.87 -0.22 4.51 0.00 -0.02 -4.91 107.32 111.13 1tjp s GLY 251 Ca 0.24 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.90 1tjp s GLY 251 CO 0.10 1.44 -0.15 1.08 0.00 0.00 0.00 173.10 175.57 1tjp s LEU 252 N -2.37 2.80 -0.19 0.66 1.43 -1.26 -0.74 118.68 119.00 1tjp s LEU 252 Ca 0.55 -1.04 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1tjp s LEU 252 Cb -0.30 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1tjp s LEU 252 CO 0.37 -0.10 -0.16 -0.63 0.23 0.00 0.00 176.35 176.06 1tjp s ILE 253 N 1.20 1.97 -0.13 -0.59 1.01 -0.41 -0.97 121.20 123.29 1tjp s ILE 253 Ca -0.02 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1tjp s ILE 253 Cb -0.17 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1tjp s ILE 253 CO -0.09 0.37 0.13 -0.83 0.00 0.00 0.00 174.94 174.52 1tjp s GLY 254 N 1.29 2.13 -0.25 6.18 0.00 -0.20 -1.20 107.32 115.27 1tjp s GLY 254 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1tjp s GLY 254 CO -0.10 -0.33 -0.10 0.14 0.00 0.00 0.00 173.10 172.70 1tjp s VAL 255 N -0.87 2.33 0.38 1.40 1.01 0.57 -1.23 120.40 123.98 1tjp s VAL 255 Ca 0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 1tjp s VAL 255 Cb -0.12 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1tjp s VAL 255 CO 0.03 0.06 0.66 -1.61 0.00 0.00 0.00 175.10 174.24 1tjp s GLU 256 N 1.17 3.61 0.02 2.72 2.02 0.01 -0.66 118.70 127.59 1tjp s GLU 256 Ca -0.06 0.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.72 1tjp s GLU 256 Cb -0.19 -2.52 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 1tjp s GLU 256 CO -0.05 0.03 1.15 -1.25 0.02 0.00 0.00 175.26 175.16 1tjp s PRO 257 N -4.09 4.44 0.00 0.39 0.04 -1.25 -2.03 135.00 132.49 1tjp s PRO 257 Ca 0.46 1.67 0.26 0.00 0.04 0.00 0.00 61.00 63.44 1tjp s PRO 257 Cb -0.10 -3.42 0.77 0.00 0.04 0.00 0.00 34.50 31.79 1tjp s PRO 257 CO 0.36 -0.26 1.58 0.41 0.04 0.00 0.00 177.00 179.12 1tjp n GLY 258 N 3.18 -0.49 7.00 0.56 0.00 0.16 -1.09 105.19 114.52 1tjp n GLY 258 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1tjp n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tjp n GLY 259 N 1.32 3.54 0.19 -0.02 0.00 -1.25 -0.49 105.19 108.47 1tjp n GLY 259 Ca 0.13 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.26 1tjp n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1tjp n HIS 260 N 14.00 0.00 0.00 1.61 8.25 -0.50 -0.78 115.22 137.80 1tjp n HIS 260 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1tjp n HIS 260 Cb 0.00 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1tjp n HIS 260 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tjp n GLY 261 N 1.14 4.23 0.34 -1.41 0.00 0.35 -4.81 105.19 105.03 1tjp n GLY 261 Ca 0.20 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 45.22 1tjp n GLY 261 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tjp h ILE 262 N 0.00 0.83 0.00 -0.61 1.08 -1.88 -1.28 117.51 115.66 1tjp h ILE 262 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1tjp h ILE 262 Cb 0.00 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.69 1tjp h ILE 262 CO 0.00 0.15 0.00 1.05 -0.69 0.00 0.00 178.15 178.66 1tjp h GLU 263 N 0.82 0.00 0.00 2.37 9.09 -1.92 -1.31 114.58 123.63 1tjp h GLU 263 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1tjp h GLU 263 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 1tjp h GLU 263 CO -0.31 0.00 -0.09 1.79 0.05 0.00 0.00 179.01 180.45 1tjp h THR 264 N 0.00 0.00 0.00 -1.06 1.35 -1.54 -3.47 112.91 108.19 1tjp h THR 264 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1tjp h THR 264 Cb 0.25 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1tjp h THR 264 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1tjp n GLY 265 N 1.27 2.35 3.33 5.82 0.00 -0.49 -4.94 105.19 112.52 1tjp n GLY 265 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 1tjp n GLY 265 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tjp s GLU 266 N -0.00 3.99 0.23 1.61 2.02 -1.26 -4.95 118.70 120.34 1tjp s GLU 266 Ca 0.00 -2.97 -0.02 0.00 0.02 0.00 0.00 54.97 52.00 1tjp s GLU 266 Cb 0.00 -4.51 0.01 0.00 0.10 0.00 0.00 34.13 29.73 1tjp s GLU 266 CO 0.00 -1.26 0.33 -2.39 0.02 0.00 0.00 175.26 171.96 1tjp n HIS 267 N 3.12 -1.16 -2.81 1.61 1.44 -1.25 -1.41 115.22 114.76 1tjp n HIS 267 Ca 0.20 -1.46 -0.15 0.00 -2.01 0.00 0.00 57.72 54.31 1tjp n HIS 267 Cb 0.42 0.37 0.01 0.00 0.12 0.00 0.00 29.99 30.91 1tjp n HIS 267 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1tjp n GLY 268 N -0.36 2.87 2.67 -1.39 0.00 -0.25 -1.01 105.19 107.71 1tjp n GLY 268 Ca -0.00 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 1tjp n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tjp n ALA 269 N -0.02 4.21 0.14 4.61 0.00 -1.21 -3.91 120.51 124.32 1tjp n ALA 269 Ca 0.18 -4.61 0.02 0.00 0.00 0.00 0.00 53.44 49.03 1tjp n ALA 269 Cb 0.73 -0.81 0.35 0.00 0.00 0.00 0.00 19.45 19.72 1tjp n ALA 269 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tjp h PRO 270 N 3.48 0.14 -0.33 0.00 0.13 -1.87 0.35 132.00 133.90 1tjp h PRO 270 Ca 0.15 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1tjp h PRO 270 Cb 0.60 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1tjp h PRO 270 CO 0.79 0.41 0.18 1.25 -0.23 0.00 0.00 178.00 180.40 1tjp h LEU 271 N 0.13 0.28 0.00 1.56 5.85 -1.90 0.31 115.31 121.54 1tjp h LEU 271 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1tjp h LEU 271 Cb 0.56 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1tjp h LEU 271 CO 0.04 0.20 -1.36 0.29 -0.34 0.00 0.00 178.44 177.27 1tjp n LYS 272 N -4.93 0.35 -0.30 1.25 4.76 -1.19 -4.56 118.16 113.54 1tjp n LYS 272 Ca -0.00 -0.07 0.03 0.00 -2.87 0.00 0.00 58.31 55.40 1tjp n LYS 272 Cb 0.06 -1.55 0.05 0.00 -1.84 0.00 0.00 35.03 31.75 1tjp n LYS 272 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1tjp n HIS 273 N -1.96 0.00 -1.87 2.13 8.25 0.11 -5.07 115.22 116.81 1tjp n HIS 273 Ca 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1tjp n HIS 273 Cb 0.46 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1tjp n HIS 273 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tjp n GLY 274 N -0.49 4.09 3.05 -1.41 0.00 0.10 -4.82 105.19 105.71 1tjp n GLY 274 Ca 0.05 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 1tjp n GLY 274 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tjp s ARG 275 N 2.59 0.20 0.31 1.61 3.52 -0.86 -4.87 118.95 121.44 1tjp s ARG 275 Ca 0.00 0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 55.55 1tjp s ARG 275 Cb 0.00 0.09 -0.11 0.00 -1.56 0.00 0.00 34.95 33.37 1tjp s ARG 275 CO 0.00 -0.03 1.53 0.14 -0.81 0.00 0.00 175.30 176.14 1tjp s VAL 276 N 0.10 2.19 0.24 7.11 -7.23 -1.26 -0.64 120.40 120.91 1tjp s VAL 276 Ca -0.00 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1tjp s VAL 276 Cb -0.01 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.82 1tjp s VAL 276 CO 0.00 0.03 0.31 0.61 -0.31 0.00 0.00 175.10 175.74 1tjp n GLY 277 N 1.70 2.59 3.01 2.32 0.00 -0.42 -4.86 105.19 109.55 1tjp n GLY 277 Ca 0.06 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1tjp n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tjp s ILE 278 N -2.75 1.79 0.10 -0.61 1.01 -1.26 -1.43 121.20 118.04 1tjp s ILE 278 Ca 0.22 -1.22 -0.25 0.00 0.00 0.00 0.00 60.65 59.40 1tjp s ILE 278 Cb -0.00 -1.89 0.08 0.00 0.01 0.00 0.00 42.46 40.65 1tjp s ILE 278 CO 0.16 0.08 0.71 -0.47 0.00 0.00 0.00 174.94 175.42 1tjp s TYR 279 N 1.31 -0.46 -1.35 3.97 5.04 -0.47 -4.94 117.35 120.46 1tjp s TYR 279 Ca -0.04 0.27 -0.06 0.00 -2.44 0.00 0.00 57.07 54.80 1tjp s TYR 279 Cb -0.18 0.56 0.04 0.00 0.35 0.00 0.00 41.96 42.73 1tjp s TYR 279 CO -0.07 -0.75 0.45 0.34 -1.34 0.00 0.00 175.55 174.18 1tjp n PHE 280 N -0.33 -1.78 -1.00 4.97 7.35 -1.26 -1.73 117.46 123.68 1tjp n PHE 280 Ca -0.14 0.41 -0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1tjp n PHE 280 Cb 0.64 -3.43 -0.00 0.00 0.35 0.00 0.00 39.48 37.04 1tjp n PHE 280 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1tjp n GLY 281 N -1.23 0.48 3.19 7.13 0.00 -1.23 -3.47 105.19 110.07 1tjp n GLY 281 Ca -0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1tjp n GLY 281 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1tjp s MET 282 N -0.16 0.78 -0.30 1.61 0.23 -0.70 -1.10 119.30 119.65 1tjp s MET 282 Ca 0.00 -0.85 -0.15 0.00 -1.03 0.00 0.00 55.69 53.67 1tjp s MET 282 Cb 0.00 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 1tjp s MET 282 CO 0.00 -0.24 0.35 0.21 -2.03 0.00 0.00 175.02 173.31 1tjp s LYS 283 N -3.39 3.80 0.14 3.16 2.20 0.21 -1.37 119.74 124.49 1tjp s LYS 283 Ca 0.01 -0.21 -0.25 0.00 -0.36 0.00 0.00 55.97 55.17 1tjp s LYS 283 Cb 0.03 -3.72 0.07 0.00 -1.51 0.00 0.00 37.83 32.69 1tjp s LYS 283 CO -0.08 -0.38 0.80 0.00 -0.36 0.00 0.00 175.35 175.32 1tjp s ALA 284 N 2.02 -1.59 0.32 3.13 0.00 -0.52 -0.93 121.76 124.20 1tjp s ALA 284 Ca 0.13 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 1tjp s ALA 284 Cb -0.16 0.69 -0.11 0.00 0.00 0.00 0.00 23.12 23.54 1tjp s ALA 284 CO 0.11 -0.88 1.48 -2.14 0.00 0.00 0.00 175.76 174.32 1tjp s PRO 285 N -3.50 4.18 0.20 0.00 0.02 -1.26 -1.29 135.00 133.35 1tjp s PRO 285 Ca 0.07 2.47 -0.06 0.00 0.02 0.00 0.00 61.00 63.50 1tjp s PRO 285 Cb -0.02 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.45 1tjp s PRO 285 CO -0.03 -0.48 0.25 0.00 -0.33 0.00 0.00 177.00 176.40 1tjp s MET 286 N -1.31 1.26 -0.33 5.54 0.23 0.19 -3.71 119.30 121.17 1tjp s MET 286 Ca 0.56 -1.42 -0.22 0.00 -1.03 0.00 0.00 55.69 53.58 1tjp s MET 286 Cb -0.45 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.20 1tjp s MET 286 CO 0.54 -0.45 0.73 -1.64 -2.03 0.00 0.00 175.02 172.16 1tjp s MET 287 N -4.07 3.83 0.05 3.16 -1.94 0.78 -2.03 119.30 119.07 1tjp s MET 287 Ca 0.29 0.34 -0.20 0.00 -1.71 0.00 0.00 55.69 54.41 1tjp s MET 287 Cb 0.04 -3.77 0.04 0.00 2.01 0.00 0.00 34.83 33.16 1tjp s MET 287 CO 0.08 -0.72 0.46 1.14 -0.01 0.00 0.00 175.02 175.96 1tjp s GLN 288 N 2.89 0.97 1.03 2.03 -2.07 -1.26 0.12 119.66 123.37 1tjp s GLN 288 Ca 0.29 -0.32 -0.15 0.00 -1.82 0.00 0.00 55.36 53.36 1tjp s GLN 288 Cb -0.14 0.44 0.21 0.00 -1.09 0.00 0.00 33.01 32.42 1tjp s GLN 288 CO 0.14 -0.34 1.16 0.95 -1.32 0.00 0.00 175.29 175.88 1tjp s THR 289 N -2.50 1.87 0.36 3.63 -4.23 0.50 -4.71 115.64 110.57 1tjp s THR 289 Ca -0.05 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.76 1tjp s THR 289 Cb -0.01 -2.68 0.32 0.00 1.34 0.00 0.00 72.50 71.48 1tjp s THR 289 CO -0.02 0.00 2.07 0.00 -0.54 0.00 0.00 174.62 176.13 1tjp h ALA 290 N -1.94 1.17 0.00 3.99 0.00 -2.02 -1.35 119.26 119.10 1tjp h ALA 290 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1tjp h ALA 290 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1tjp h ALA 290 CO 0.48 0.12 -0.26 -0.25 0.00 0.00 0.00 179.25 179.34 1tjp n ASP 291 N -3.45 0.47 0.00 0.00 8.00 -1.26 -4.96 116.55 115.36 1tjp n ASP 291 Ca -0.01 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1tjp n ASP 291 Cb 0.25 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1tjp n ASP 291 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tjp n GLY 292 N 1.42 1.02 3.79 0.44 0.00 -0.51 -5.08 105.19 106.26 1tjp n GLY 292 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1tjp n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tjp s GLN 293 N -0.62 4.39 0.34 1.61 -1.52 -1.26 -4.81 119.66 117.80 1tjp s GLN 293 Ca 0.00 0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 54.07 1tjp s GLN 293 Cb 0.00 -3.27 -0.11 0.00 -0.22 0.00 0.00 33.01 29.42 1tjp s GLN 293 CO 0.00 0.56 1.41 0.42 -0.25 0.00 0.00 175.29 177.42 1tjp s ILE 294 N -0.95 2.41 0.50 1.08 -1.09 -1.26 -0.37 121.20 121.51 1tjp s ILE 294 Ca 0.33 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 1tjp s ILE 294 Cb -0.21 -3.26 0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1tjp s ILE 294 CO 0.22 0.09 0.71 -1.61 -1.23 0.00 0.00 174.94 173.13 1tjp s GLU 295 N -1.72 2.75 0.01 2.79 0.41 0.32 -4.70 118.70 118.57 1tjp s GLU 295 Ca 0.52 -0.73 -0.20 0.00 -0.41 0.00 0.00 54.97 54.15 1tjp s GLU 295 Cb -0.43 -2.54 -0.06 0.00 -1.78 0.00 0.00 34.13 29.32 1tjp s GLU 295 CO 0.56 -0.51 0.59 -1.21 -0.49 0.00 0.00 175.26 174.20 1tjp s GLU 296 N -4.64 4.29 0.57 1.61 2.02 -1.26 -4.75 118.70 116.54 1tjp s GLU 296 Ca 0.54 0.73 0.06 0.00 0.02 0.00 0.00 54.97 56.32 1tjp s GLU 296 Cb -0.10 -3.32 0.08 0.00 0.10 0.00 0.00 34.13 30.89 1tjp s GLU 296 CO 0.38 0.43 0.79 0.45 0.02 0.00 0.00 175.26 177.33 1tjp s SER 297 N -0.41 5.06 -0.28 -0.19 0.15 -1.26 -4.89 113.70 111.87 1tjp s SER 297 Ca 0.30 -0.59 -0.21 0.00 0.70 0.00 0.00 55.95 56.16 1tjp s SER 297 Cb -0.18 -0.05 0.13 0.00 -1.71 0.00 0.00 66.02 64.20 1tjp s SER 297 CO 0.18 -1.33 0.98 -0.47 1.20 0.00 0.00 173.24 173.79 1tjp s TYR 298 N -2.72 -0.57 -0.01 3.44 5.04 -0.18 -4.89 117.35 117.47 1tjp s TYR 298 Ca 0.61 1.25 -0.26 0.00 -2.44 0.00 0.00 57.07 56.23 1tjp s TYR 298 Cb -0.07 0.38 0.06 0.00 0.35 0.00 0.00 41.96 42.68 1tjp s TYR 298 CO 0.39 -0.28 0.59 0.45 -1.34 0.00 0.00 175.55 175.36 1tjp s SER 299 N 0.77 -0.55 0.56 4.32 0.15 -1.26 -2.46 113.70 115.24 1tjp s SER 299 Ca -0.03 0.46 0.24 0.00 0.70 0.00 0.00 55.95 57.32 1tjp s SER 299 Cb -0.04 0.51 1.57 0.00 -1.71 0.00 0.00 66.02 66.34 1tjp s SER 299 CO -0.11 -0.65 2.19 -0.29 1.20 0.00 0.00 173.24 175.58 1tjp h ILE 300 N 2.97 0.71 -3.63 6.45 2.10 -1.95 -3.38 117.51 120.78 1tjp h ILE 300 Ca -0.29 0.00 -0.65 0.00 1.08 0.00 0.00 64.86 65.00 1tjp h ILE 300 Cb 1.18 0.97 -0.16 0.00 -1.09 0.00 0.00 36.82 37.71 1tjp h ILE 300 CO 0.40 0.00 -0.15 -0.94 -1.08 0.00 0.00 178.15 176.38 1tjp s SER 301 N -6.47 6.26 0.50 2.19 1.04 -1.26 -4.95 113.70 111.01 1tjp s SER 301 Ca -0.05 -0.14 0.16 0.00 0.48 0.00 0.00 55.95 56.41 1tjp s SER 301 Cb 0.16 -2.24 1.22 0.00 0.10 0.00 0.00 66.02 65.26 1tjp s SER 301 CO 0.60 -0.43 2.10 0.00 0.98 0.00 0.00 173.24 176.50 1tjp h ALA 302 N 8.47 1.86 0.00 5.32 0.00 -1.98 -2.01 119.26 130.91 1tjp h ALA 302 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1tjp h ALA 302 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1tjp h ALA 302 CO 0.74 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1tjp n GLY 303 N -1.33 -1.31 0.17 0.00 0.00 -1.26 -2.99 105.19 98.47 1tjp n GLY 303 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1tjp n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tjp n LEU 304 N -2.00 1.15 -4.43 0.99 4.77 -0.76 -4.77 117.00 111.96 1tjp n LEU 304 Ca 0.04 -0.63 -0.44 0.00 -0.03 0.00 0.00 56.01 54.94 1tjp n LEU 304 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1tjp n LEU 304 CO 0.21 0.24 0.89 1.51 -1.33 0.00 0.00 177.39 178.91 1tjp s ASP 305 N -2.19 6.67 -0.08 -1.43 -4.77 -1.16 -4.63 116.67 109.09 1tjp s ASP 305 Ca 0.09 -2.21 0.01 0.00 -3.30 0.00 0.00 52.55 47.14 1tjp s ASP 305 Cb 0.12 -2.36 0.02 0.00 -1.09 0.00 0.00 42.92 39.61 1tjp s ASP 305 CO 0.52 -0.96 -0.08 0.12 0.70 0.00 0.00 175.17 175.47 1tjp s PHE 306 N 2.15 1.29 -2.00 2.11 5.36 -1.26 -4.84 117.98 120.79 1tjp s PHE 306 Ca 0.30 -0.53 0.06 0.00 -0.96 0.00 0.00 56.93 55.80 1tjp s PHE 306 Cb -0.06 -1.04 0.33 0.00 -0.34 0.00 0.00 43.02 41.91 1tjp s PHE 306 CO -0.09 -0.36 0.73 -0.35 -1.46 0.00 0.00 175.22 173.69 1tjp n PRO 307 N 4.38 0.24 0.00 10.12 -0.05 -1.26 -4.81 135.00 143.62 1tjp n PRO 307 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.27 1tjp n PRO 307 Cb 0.51 -1.36 0.00 0.00 -0.05 0.00 0.00 33.50 32.59 1tjp n PRO 307 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1tjp n SER 308 N -0.86 0.72 -3.50 3.54 2.88 -1.26 -0.16 113.62 114.98 1tjp n SER 308 Ca 0.04 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.42 1tjp n SER 308 Cb 0.02 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 1tjp n SER 308 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tjp s VAL 309 N 0.27 0.00 0.49 2.46 0.11 -1.24 -4.68 120.40 117.80 1tjp s VAL 309 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 1tjp s VAL 309 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 1tjp s VAL 309 CO 0.00 0.00 1.36 0.61 -3.33 0.00 0.00 175.10 173.74 1tjp n GLY 310 N 0.57 0.78 0.22 6.54 0.00 0.39 -4.69 105.19 108.99 1tjp n GLY 310 Ca -0.18 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1tjp n GLY 310 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tjp h PRO 311 N 1.87 0.00 0.00 1.61 0.13 -1.89 -2.09 132.00 131.63 1tjp h PRO 311 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1tjp h PRO 311 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1tjp h PRO 311 CO 0.59 0.24 -0.30 0.37 -0.23 0.00 0.00 178.00 178.67 1tjp h GLN 312 N 0.00 0.00 -0.19 0.86 4.15 -1.90 -1.41 115.11 116.62 1tjp h GLN 312 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1tjp h GLN 312 Cb 0.46 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1tjp h GLN 312 CO 0.03 0.30 -0.50 0.45 -1.93 0.00 0.00 178.83 177.18 1tjp h HIS 313 N 0.00 0.87 -0.61 3.99 3.86 -1.75 -0.10 115.15 121.41 1tjp h HIS 313 Ca -0.00 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1tjp h HIS 313 Cb 0.59 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1tjp h HIS 313 CO 0.00 1.12 0.39 0.00 0.86 0.00 0.00 177.93 180.30 1tjp h ALA 314 N 0.58 1.54 -0.01 2.45 0.00 -1.30 -0.68 119.26 121.84 1tjp h ALA 314 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tjp h ALA 314 Cb 1.12 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1tjp h ALA 314 CO 0.11 0.42 -0.01 -0.92 0.00 0.00 0.00 179.25 178.85 1tjp h TYR 315 N 0.83 0.02 -0.71 0.00 3.20 -1.03 -1.61 116.97 117.68 1tjp h TYR 315 Ca 0.22 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.13 1tjp h TYR 315 Cb -0.07 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1tjp h TYR 315 CO 0.00 0.51 0.47 -0.07 -1.64 0.00 0.00 178.16 177.43 1tjp h LEU 316 N -0.47 0.70 -0.06 2.82 3.38 -0.81 -1.19 115.31 119.68 1tjp h LEU 316 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1tjp h LEU 316 Cb 0.50 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1tjp h LEU 316 CO 0.00 0.47 0.02 -1.13 0.09 0.00 0.00 178.44 177.89 1tjp h ASN 317 N 0.81 0.08 -0.75 -0.43 -0.00 -1.09 -0.38 115.58 113.83 1tjp h ASN 317 Ca 0.29 -0.18 0.04 0.00 -0.00 0.00 0.00 56.30 56.45 1tjp h ASN 317 Cb 0.14 -0.02 -0.04 0.00 -0.00 0.00 0.00 38.32 38.39 1tjp h ASN 317 CO -0.09 0.24 0.49 -1.28 -0.00 0.00 0.00 177.43 176.80 1tjp h SER 318 N -0.09 0.76 -0.05 1.15 0.87 -0.21 -0.45 113.55 115.53 1tjp h SER 318 Ca 0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1tjp h SER 318 Cb 0.19 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1tjp h SER 318 CO -0.00 0.51 0.00 2.30 -0.53 0.00 0.00 176.83 179.11 1tjp n ILE 319 N -4.46 0.05 -1.01 2.23 -5.35 -0.76 -4.94 119.36 105.11 1tjp n ILE 319 Ca 0.10 -0.26 -0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1tjp n ILE 319 Cb 0.15 0.45 -0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1tjp n ILE 319 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tjp n GLY 320 N 1.16 0.47 0.12 3.28 0.00 -0.18 -4.93 105.19 105.12 1tjp n GLY 320 Ca 0.18 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1tjp n GLY 320 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1tjp h ARG 321 N 0.72 0.27 -6.67 1.61 9.65 -1.31 -3.45 114.38 115.19 1tjp h ARG 321 Ca -0.01 -0.34 -0.65 0.00 -1.10 0.00 0.00 59.98 57.88 1tjp h ARG 321 Cb 0.09 0.11 -0.22 0.00 -1.39 0.00 0.00 29.97 28.56 1tjp h ARG 321 CO 0.01 1.08 -0.86 0.00 2.80 0.00 0.00 179.97 183.01 1tjp s ALA 322 N -3.02 2.20 -0.06 2.80 0.00 -0.99 -4.40 121.76 118.30 1tjp s ALA 322 Ca -0.04 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.55 1tjp s ALA 322 Cb 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1tjp s ALA 322 CO 0.86 0.48 -0.12 -0.51 0.00 0.00 0.00 175.76 176.47 1tjp s ASP 323 N -2.02 4.21 -0.02 0.00 1.01 -0.14 -4.08 116.67 115.63 1tjp s ASP 323 Ca 0.12 -0.15 0.07 0.00 0.71 0.00 0.00 52.55 53.30 1tjp s ASP 323 Cb -0.10 -0.96 -0.02 0.00 1.01 0.00 0.00 42.92 42.85 1tjp s ASP 323 CO 0.05 0.35 -0.24 -0.31 0.21 0.00 0.00 175.17 175.23 1tjp s TYR 324 N -0.72 2.16 0.35 4.23 1.51 -1.26 -1.03 117.35 122.59 1tjp s TYR 324 Ca 0.11 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 1tjp s TYR 324 Cb -0.11 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 1tjp s TYR 324 CO 0.01 -0.06 0.20 0.14 -1.11 0.00 0.00 175.55 174.73 1tjp s VAL 325 N -0.50 0.27 0.12 0.71 -7.23 -0.36 -4.97 120.40 108.44 1tjp s VAL 325 Ca 0.07 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1tjp s VAL 325 Cb -0.10 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1tjp s VAL 325 CO -0.00 0.00 -0.09 -0.94 -0.31 0.00 0.00 175.10 173.76 1tjp s SER 326 N -3.46 1.50 -0.02 4.85 1.04 -1.26 -0.81 113.70 115.55 1tjp s SER 326 Ca 0.33 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.80 1tjp s SER 326 Cb 0.03 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1tjp s SER 326 CO 0.21 -0.36 -0.02 -0.63 0.98 0.00 0.00 173.24 173.41 1tjp s ILE 327 N -3.25 0.26 0.75 -1.02 -1.09 -0.86 -4.86 121.20 111.13 1tjp s ILE 327 Ca 0.13 -0.04 -0.11 0.00 -2.23 0.00 0.00 60.65 58.39 1tjp s ILE 327 Cb 0.02 -0.29 0.05 0.00 -1.58 0.00 0.00 42.46 40.66 1tjp s ILE 327 CO -0.01 0.13 1.13 0.42 -1.23 0.00 0.00 174.94 175.37 1tjp s THR 328 N 0.53 2.77 0.21 2.92 -4.23 -1.26 0.39 115.64 116.96 1tjp s THR 328 Ca -0.05 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.58 1tjp s THR 328 Cb -0.09 -3.24 0.16 0.00 1.34 0.00 0.00 72.50 70.67 1tjp s THR 328 CO -0.01 -0.32 1.70 0.44 -0.54 0.00 0.00 174.62 175.89 1tjp h ASP 329 N -0.83 -0.04 -0.19 3.99 3.32 -1.26 -0.43 116.42 120.96 1tjp h ASP 329 Ca -0.45 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 1tjp h ASP 329 Cb 1.29 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 1tjp h ASP 329 CO 0.65 -0.01 -0.19 0.44 -1.72 0.00 0.00 179.24 178.41 1tjp h ASP 330 N 0.23 0.63 -0.50 6.45 3.32 -1.94 -0.18 116.42 124.43 1tjp h ASP 330 Ca 0.31 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1tjp h ASP 330 Cb 0.46 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1tjp h ASP 330 CO -0.41 0.82 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.49 1tjp h GLU 331 N 0.56 0.96 -0.61 3.56 5.08 -1.79 -1.58 114.58 120.77 1tjp h GLU 331 Ca 0.09 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1tjp h GLU 331 Cb 0.64 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1tjp h GLU 331 CO 0.05 1.03 0.18 0.00 -1.00 0.00 0.00 179.01 179.27 1tjp h ALA 332 N 0.90 0.80 -0.86 3.43 0.00 -0.73 -1.92 119.26 120.88 1tjp h ALA 332 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1tjp h ALA 332 Cb 0.67 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1tjp h ALA 332 CO 0.05 0.47 0.45 -0.07 0.00 0.00 0.00 179.25 180.15 1tjp h LEU 333 N 0.87 1.09 -0.87 0.00 3.38 -0.90 -0.90 115.31 117.98 1tjp h LEU 333 Ca 0.20 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1tjp h LEU 333 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1tjp h LEU 333 CO -0.00 0.89 -0.10 -0.08 0.09 0.00 0.00 178.44 179.24 1tjp h GLU 334 N 1.21 0.73 -0.44 1.13 4.22 -1.08 -1.38 114.58 118.97 1tjp h GLU 334 Ca 0.30 -0.23 -0.12 0.00 0.08 0.00 0.00 59.36 59.39 1tjp h GLU 334 Cb 0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1tjp h GLU 334 CO -0.04 0.81 -0.19 0.00 -2.18 0.00 0.00 179.01 177.41 1tjp h ALA 335 N 1.22 0.84 -0.05 2.92 0.00 -0.87 -1.08 119.26 122.25 1tjp h ALA 335 Ca 0.12 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1tjp h ALA 335 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1tjp h ALA 335 CO 0.03 0.64 -0.01 0.35 0.00 0.00 0.00 179.25 180.27 1tjp h PHE 336 N 0.76 -0.01 -0.72 0.00 3.04 -0.84 -1.22 116.94 117.94 1tjp h PHE 336 Ca 0.11 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1tjp h PHE 336 Cb 0.72 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 1tjp h PHE 336 CO 0.04 -0.01 0.35 0.87 -2.02 0.00 0.00 178.31 177.54 1tjp h LYS 337 N 0.01 1.03 -0.63 1.11 1.57 -1.07 -2.24 116.57 116.35 1tjp h LYS 337 Ca 0.02 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1tjp h LYS 337 Cb 0.03 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1tjp h LYS 337 CO -0.04 0.80 0.24 1.15 -0.57 0.00 0.00 179.45 181.03 1tjp h THR 338 N 1.00 1.24 -0.30 -0.16 2.02 -0.89 -1.89 112.91 113.93 1tjp h THR 338 Ca 0.25 -0.76 -0.16 0.00 0.77 0.00 0.00 66.41 66.51 1tjp h THR 338 Cb 0.11 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1tjp h THR 338 CO -0.03 0.30 -0.46 0.25 0.37 0.00 0.00 175.52 175.95 1tjp h LEU 339 N 0.88 0.84 -0.35 2.58 5.85 -1.09 -1.20 115.31 122.83 1tjp h LEU 339 Ca 0.21 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1tjp h LEU 339 Cb 0.23 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1tjp h LEU 339 CO -0.01 1.17 0.22 0.00 -0.34 0.00 0.00 178.44 179.47 1tjp h ARG 341 N 0.46 0.54 0.00 0.00 9.65 -1.23 -2.41 114.38 121.40 1tjp h ARG 341 Ca 0.13 -0.44 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1tjp h ARG 341 Cb -0.00 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1tjp h ARG 341 CO -0.02 1.07 -1.80 0.72 2.80 0.00 0.00 179.97 182.73 1tjp n HIS 342 N -3.87 0.18 -0.15 2.20 8.25 -0.46 -4.59 115.22 116.77 1tjp n HIS 342 Ca -0.05 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1tjp n HIS 342 Cb 0.72 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1tjp n HIS 342 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1tjp n GLU 343 N -2.33 1.88 -2.05 -0.41 -0.58 -0.38 -4.67 120.64 112.10 1tjp n GLU 343 Ca -0.03 -0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.38 1tjp n GLU 343 Cb 0.56 -0.63 -0.02 0.00 -0.57 0.00 0.00 31.44 30.78 1tjp n GLU 343 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tjp n GLY 344 N 0.32 0.17 3.18 0.62 0.00 -0.91 -5.01 105.19 103.57 1tjp n GLY 344 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1tjp n GLY 344 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tjp s ILE 345 N -2.61 1.95 -0.48 -0.61 1.01 -1.20 -5.00 121.20 114.26 1tjp s ILE 345 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.54 1tjp s ILE 345 Cb 0.00 -1.71 0.06 0.00 0.01 0.00 0.00 42.46 40.82 1tjp s ILE 345 CO 0.00 0.53 0.50 -0.63 0.00 0.00 0.00 174.94 175.34 1tjp s ILE 346 N 0.59 5.06 0.38 2.92 1.01 -1.26 -2.80 121.20 127.09 1tjp s ILE 346 Ca -0.13 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 1tjp s ILE 346 Cb -0.17 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 1tjp s ILE 346 CO 0.04 -0.66 0.76 -2.16 0.00 0.00 0.00 174.94 172.91 1tjp s PRO 347 N 2.13 3.85 0.62 2.79 0.04 -1.26 -0.49 135.00 142.67 1tjp s PRO 347 Ca 0.10 0.53 -0.19 0.00 0.04 0.00 0.00 61.00 61.48 1tjp s PRO 347 Cb -0.21 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 1tjp s PRO 347 CO 0.10 0.03 1.26 0.00 0.04 0.00 0.00 177.00 178.43 1tjp s ALA 348 N -2.24 2.47 0.47 8.56 0.00 -0.30 -3.48 121.76 127.24 1tjp s ALA 348 Ca 0.52 1.14 0.19 0.00 0.00 0.00 0.00 51.96 53.81 1tjp s ALA 348 Cb -0.10 -3.51 1.25 0.00 0.00 0.00 0.00 23.12 20.75 1tjp s ALA 348 CO 0.27 -1.41 2.07 -0.07 0.00 0.00 0.00 175.76 176.62 1tjp h LEU 349 N 0.73 0.00 0.56 0.00 3.38 -1.91 -0.02 115.31 118.05 1tjp h LEU 349 Ca -0.51 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1tjp h LEU 349 Cb 1.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.08 1tjp h LEU 349 CO 0.54 0.12 -0.27 -0.33 0.09 0.00 0.00 178.44 178.59 1tjp h GLU 350 N 0.00 -0.72 0.00 1.13 3.07 -1.93 -3.01 114.58 113.12 1tjp h GLU 350 Ca -0.00 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1tjp h GLU 350 Cb 0.24 0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1tjp h GLU 350 CO 0.02 -0.46 -0.02 0.77 -1.40 0.00 0.00 179.01 177.91 1tjp h SER 351 N -0.80 0.00 0.03 1.42 0.02 -1.74 -1.42 113.55 111.06 1tjp h SER 351 Ca -0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1tjp h SER 351 Cb 0.60 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1tjp h SER 351 CO 0.13 0.02 -0.01 0.28 -1.14 0.00 0.00 176.83 176.11 1tjp h SER 352 N 0.00 0.00 -0.27 3.07 0.02 -0.88 -1.11 113.55 114.38 1tjp h SER 352 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1tjp h SER 352 Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1tjp h SER 352 CO 0.00 0.01 -0.28 0.45 -1.14 0.00 0.00 176.83 175.87 1tjp h HIS 353 N 0.00 0.81 -0.30 3.45 3.86 -1.25 0.44 115.15 122.16 1tjp h HIS 353 Ca -0.00 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 58.93 1tjp h HIS 353 Cb 0.02 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1tjp h HIS 353 CO 0.00 0.98 0.06 0.00 0.86 0.00 0.00 177.93 179.83 1tjp h ALA 354 N 0.69 0.40 -0.51 2.45 0.00 -1.36 -2.62 119.26 118.31 1tjp h ALA 354 Ca 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1tjp h ALA 354 Cb 0.85 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1tjp h ALA 354 CO 0.07 0.07 0.26 1.25 0.00 0.00 0.00 179.25 180.90 1tjp h LEU 355 N 0.32 0.37 -0.93 0.00 5.85 -1.32 -1.97 115.31 117.63 1tjp h LEU 355 Ca 0.09 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1tjp h LEU 355 Cb 0.32 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1tjp h LEU 355 CO 0.00 0.26 0.58 0.00 -0.34 0.00 0.00 178.44 178.94 1tjp h ALA 356 N 1.27 1.31 -0.46 1.25 0.00 -0.81 0.88 119.26 122.70 1tjp h ALA 356 Ca 0.22 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1tjp h ALA 356 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1tjp h ALA 356 CO -0.15 0.30 -0.18 1.25 0.00 0.00 0.00 179.25 180.47 1tjp h HIS 357 N 1.02 1.07 -0.94 0.00 -0.00 -1.05 -1.30 115.15 113.95 1tjp h HIS 357 Ca 0.42 -0.25 0.02 0.00 -0.00 0.00 0.00 60.37 60.55 1tjp h HIS 357 Cb 0.25 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 1tjp h HIS 357 CO -0.02 1.05 0.62 0.00 -0.00 0.00 0.00 177.93 179.58 1tjp h ALA 358 N 0.86 1.21 -0.79 5.26 0.00 -0.61 -0.50 119.26 124.68 1tjp h ALA 358 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1tjp h ALA 358 Cb 0.75 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1tjp h ALA 358 CO 0.06 0.55 0.36 -0.07 0.00 0.00 0.00 179.25 180.16 1tjp h LEU 359 N 1.24 1.04 -0.55 0.00 3.38 -0.57 -1.36 115.31 118.49 1tjp h LEU 359 Ca 0.35 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1tjp h LEU 359 Cb -0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 1tjp h LEU 359 CO -0.09 0.89 0.18 0.50 0.09 0.00 0.00 178.44 180.01 1tjp h LYS 360 N 1.13 0.85 -0.66 1.13 3.64 -0.71 0.15 116.57 122.11 1tjp h LYS 360 Ca 0.27 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1tjp h LYS 360 Cb 0.14 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1tjp h LYS 360 CO -0.03 0.77 0.38 0.52 -2.27 0.00 0.00 179.45 178.81 1tjp h MET 361 N 0.76 0.69 0.15 1.90 2.86 -0.58 0.08 114.93 120.79 1tjp h MET 361 Ca 0.18 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1tjp h MET 361 Cb 0.27 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1tjp h MET 361 CO -0.01 0.45 -0.07 1.98 1.06 0.00 0.00 176.91 180.32 1tjp h MET 362 N 0.71 -0.20 -0.18 1.72 1.85 -1.10 -3.24 114.93 114.49 1tjp h MET 362 Ca 0.29 0.01 -0.12 0.00 -0.61 0.00 0.00 59.70 59.27 1tjp h MET 362 Cb 0.14 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 1tjp h MET 362 CO -0.16 0.13 -0.41 0.00 -0.40 0.00 0.00 176.91 176.07 1tjp h ARG 363 N -0.55 0.42 -0.00 0.39 3.08 -0.46 -2.20 114.38 115.07 1tjp h ARG 363 Ca -0.02 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.72 1tjp h ARG 363 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1tjp h ARG 363 CO 0.03 0.76 -0.50 0.93 -1.07 0.00 0.00 179.97 180.12 1tjp h GLU 364 N 0.35 0.00 -2.18 0.04 5.08 -1.11 -3.35 114.58 113.41 1tjp h GLU 364 Ca 0.03 -0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.81 1tjp h GLU 364 Cb 0.86 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.73 1tjp h GLU 364 CO 0.07 0.50 -1.04 1.04 -1.00 0.00 0.00 179.01 178.59 1tjp n GLN 365 N -3.94 0.50 0.19 2.33 6.02 -1.10 -4.99 117.38 116.39 1tjp n GLN 365 Ca -0.01 -3.23 0.14 0.00 -0.01 0.00 0.00 57.00 53.89 1tjp n GLN 365 Cb 0.52 -1.44 0.60 0.00 1.02 0.00 0.00 30.24 30.93 1tjp n GLN 365 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1tjp h PRO 366 N 4.76 0.00 -0.61 -1.09 0.13 -1.55 -1.95 132.00 131.69 1tjp h PRO 366 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1tjp h PRO 366 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1tjp h PRO 366 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 1tjp n GLU 367 N -2.55 2.64 -2.80 0.86 4.71 -1.26 -1.23 120.64 121.02 1tjp n GLU 367 Ca 0.01 -2.53 -0.42 0.00 -0.01 0.00 0.00 57.16 54.21 1tjp n GLU 367 Cb 0.23 -1.55 -0.03 0.00 -1.01 0.00 0.00 31.44 29.07 1tjp n GLU 367 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1tjp s LYS 368 N -1.20 4.37 -0.21 3.49 2.20 -0.74 -4.82 119.74 122.84 1tjp s LYS 368 Ca 0.46 1.19 -0.29 0.00 -0.36 0.00 0.00 55.97 56.96 1tjp s LYS 368 Cb 0.25 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1tjp s LYS 368 CO 0.33 -0.29 1.23 -2.00 -0.36 0.00 0.00 175.35 174.27 1tjp s GLU 369 N 1.97 4.16 -0.18 4.03 2.12 -1.26 -4.03 118.70 125.52 1tjp s GLU 369 Ca 0.43 1.50 -0.15 0.00 0.36 0.00 0.00 54.97 57.11 1tjp s GLU 369 Cb -0.17 -3.77 0.05 0.00 0.26 0.00 0.00 34.13 30.49 1tjp s GLU 369 CO 0.16 -0.80 0.46 1.14 -0.54 0.00 0.00 175.26 175.68 1tjp s GLN 370 N 3.62 0.53 -0.33 4.30 -2.07 -0.94 -5.00 119.66 119.76 1tjp s GLN 370 Ca 0.53 0.67 -0.07 0.00 -1.82 0.00 0.00 55.36 54.67 1tjp s GLN 370 Cb -0.19 0.23 0.03 0.00 -1.09 0.00 0.00 33.01 31.99 1tjp s GLN 370 CO 0.15 -0.08 0.11 -1.17 -1.32 0.00 0.00 175.29 172.99 1tjp s LEU 371 N 0.40 4.25 0.05 2.60 2.96 -1.26 -0.92 118.68 126.76 1tjp s LEU 371 Ca -0.01 -1.00 0.08 0.00 -0.22 0.00 0.00 54.13 52.98 1tjp s LEU 371 Cb -0.04 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1tjp s LEU 371 CO -0.01 -0.30 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.74 1tjp s LEU 372 N 1.45 2.41 -0.09 -0.68 1.43 0.04 -0.04 118.68 123.20 1tjp s LEU 372 Ca 0.00 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1tjp s LEU 372 Cb -0.19 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1tjp s LEU 372 CO 0.03 0.25 -0.18 -0.69 0.23 0.00 0.00 176.35 176.00 1tjp s VAL 373 N -0.88 1.62 -0.16 -1.59 1.01 -0.76 -1.14 120.40 118.50 1tjp s VAL 373 Ca 0.13 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1tjp s VAL 373 Cb -0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1tjp s VAL 373 CO 0.04 0.46 0.05 -0.69 0.00 0.00 0.00 175.10 174.96 1tjp s VAL 374 N 0.64 4.65 -0.43 2.92 1.01 -0.24 -0.39 120.40 128.56 1tjp s VAL 374 Ca -0.14 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1tjp s VAL 374 Cb -0.16 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1tjp s VAL 374 CO 0.04 0.49 1.21 0.21 0.00 0.00 0.00 175.10 177.05 1tjp s ASN 375 N 0.14 6.60 -0.92 3.32 3.04 -0.18 -0.95 114.94 126.00 1tjp s ASN 375 Ca 0.04 0.68 -0.19 0.00 0.04 0.00 0.00 52.86 53.43 1tjp s ASN 375 Cb -0.12 -2.55 0.13 0.00 -1.54 0.00 0.00 41.25 37.17 1tjp s ASN 375 CO 0.01 -1.24 1.11 -0.22 -3.04 0.00 0.00 177.10 173.72 1tjp s LEU 376 N 4.58 5.08 0.52 3.21 2.96 0.02 -4.74 118.68 130.31 1tjp s LEU 376 Ca 0.51 -2.03 0.25 0.00 -0.22 0.00 0.00 54.13 52.64 1tjp s LEU 376 Cb -0.10 -2.39 1.44 0.00 0.50 0.00 0.00 46.19 45.64 1tjp s LEU 376 CO 0.29 -1.06 2.10 0.77 -1.32 0.00 0.00 176.35 177.13 1tjp h SER 377 N 8.83 0.00 -5.12 3.68 4.64 -1.91 -2.20 113.55 121.48 1tjp h SER 377 Ca 0.14 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.56 1tjp h SER 377 Cb 1.03 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.07 1tjp h SER 377 CO 1.10 0.10 0.33 -0.83 -0.87 0.00 0.00 176.83 176.66 1tjp s GLY 378 N -4.17 -0.06 0.37 -0.77 0.00 -1.26 -1.39 107.32 100.04 1tjp s GLY 378 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 1tjp s GLY 378 CO 0.60 0.04 0.62 1.09 0.00 0.00 0.00 173.10 175.45 1tjp s ARG 379 N -3.43 3.54 -0.15 2.90 1.70 -0.32 -1.15 118.95 122.04 1tjp s ARG 379 Ca 0.13 -0.08 0.16 0.00 -0.47 0.00 0.00 55.73 55.46 1tjp s ARG 379 Cb -0.04 -2.57 0.56 0.00 -0.57 0.00 0.00 34.95 32.33 1tjp s ARG 379 CO 0.06 0.06 1.47 0.41 -1.08 0.00 0.00 175.30 176.22 1tjp n GLY 380 N -1.70 3.53 0.37 3.88 0.00 0.35 -3.53 105.19 108.10 1tjp n GLY 380 Ca -0.02 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.19 1tjp n GLY 380 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1tjp h ASP 381 N 2.43 0.75 0.23 1.61 3.32 -1.87 0.26 116.42 123.15 1tjp h ASP 381 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1tjp h ASP 381 Cb 1.42 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1tjp h ASP 381 CO 0.23 0.41 0.00 0.07 -1.72 0.00 0.00 179.24 178.23 1tjp h LYS 382 N 0.81 0.00 -0.14 3.56 2.10 -1.98 -2.57 116.57 118.35 1tjp h LYS 382 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1tjp h LYS 382 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1tjp h LYS 382 CO -0.20 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.00 1tjp n ASP 383 N -2.62 2.78 -0.27 7.07 8.00 0.07 -4.56 116.55 127.03 1tjp n ASP 383 Ca -0.01 -1.83 -0.04 0.00 0.71 0.00 0.00 54.79 53.62 1tjp n ASP 383 Cb 0.11 -0.08 0.08 0.00 -0.02 0.00 0.00 41.12 41.20 1tjp n ASP 383 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1tjp h ILE 384 N 3.67 1.14 -0.35 0.53 1.08 -1.39 -0.88 117.51 121.31 1tjp h ILE 384 Ca 0.00 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 1tjp h ILE 384 Cb 0.81 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1tjp h ILE 384 CO 0.00 0.17 0.11 -0.26 -0.69 0.00 0.00 178.15 177.49 1tjp h PHE 385 N 0.95 0.56 -0.25 1.37 0.04 -1.81 -0.76 116.94 117.03 1tjp h PHE 385 Ca 0.29 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 61.04 1tjp h PHE 385 Cb -0.04 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1tjp h PHE 385 CO -0.03 0.54 0.05 1.15 -0.60 0.00 0.00 178.31 179.42 1tjp h THR 386 N 0.42 0.88 -0.42 -1.55 2.02 -1.75 -0.62 112.91 111.88 1tjp h THR 386 Ca 0.11 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 1tjp h THR 386 Cb 0.24 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1tjp h THR 386 CO -0.00 0.03 0.11 0.58 0.37 0.00 0.00 175.52 176.60 1tjp h VAL 387 N 0.14 1.23 -0.25 3.16 2.07 -1.09 -2.45 116.25 119.07 1tjp h VAL 387 Ca 0.12 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1tjp h VAL 387 Cb 0.12 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1tjp h VAL 387 CO -0.16 0.27 0.06 -0.74 0.02 0.00 0.00 177.57 177.03 1tjp h HIS 388 N 0.55 0.11 -0.82 1.57 6.17 -0.87 -1.06 115.15 120.79 1tjp h HIS 388 Ca 0.13 0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.28 1tjp h HIS 388 Cb 0.30 -0.01 -0.06 0.00 2.52 0.00 0.00 27.41 30.16 1tjp h HIS 388 CO 0.02 0.04 0.51 -0.44 0.71 0.00 0.00 177.93 178.77 1tjp h ASP 389 N 0.17 0.82 0.24 3.26 5.19 -1.04 -0.31 116.42 124.75 1tjp h ASP 389 Ca 0.11 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1tjp h ASP 389 Cb 0.10 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1tjp h ASP 389 CO -0.13 0.54 -0.11 0.40 -3.12 0.00 0.00 179.24 176.82 1tjp h ILE 390 N 0.96 0.82 -0.37 0.35 2.04 -1.03 -0.92 117.51 119.37 1tjp h ILE 390 Ca 0.35 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1tjp h ILE 390 Cb 0.10 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1tjp h ILE 390 CO -0.15 0.14 0.24 -0.07 0.00 0.00 0.00 178.15 178.32 1tjp h LEU 391 N -0.68 0.34 -0.12 1.44 3.38 -1.14 -1.80 115.31 116.74 1tjp h LEU 391 Ca -0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1tjp h LEU 391 Cb 0.47 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1tjp h LEU 391 CO 0.05 0.24 -0.13 0.50 0.09 0.00 0.00 178.44 179.19 1tjp h LYS 392 N 0.40 0.29 -0.56 1.13 3.64 -0.93 0.12 116.57 120.66 1tjp h LYS 392 Ca 0.15 -0.16 0.16 0.00 -1.27 0.00 0.00 60.65 59.53 1tjp h LYS 392 Cb 0.09 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1tjp h LYS 392 CO -0.03 0.71 0.43 0.00 -2.27 0.00 0.00 179.45 178.29 1tjp h ALA 393 N 0.58 2.48 0.00 5.00 0.00 -0.35 -0.89 119.26 126.08 1tjp h ALA 393 Ca 0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1tjp h ALA 393 Cb 0.66 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1tjp h ALA 393 CO 0.03 -0.72 -1.83 0.54 0.00 0.00 0.00 179.25 177.27 1tjp n ARG 394 N -4.25 0.64 0.00 0.00 1.74 -0.83 -5.10 116.66 108.86 1tjp n ARG 394 Ca 0.11 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 1tjp n ARG 394 Cb 0.66 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1tjp n ARG 394 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52