#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jps h LEU 11 N 0.00 0.71 -4.07 3.22 5.85 -1.93 -2.31 115.31 116.78 3jps h LEU 11 Ca 0.00 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.41 3jps h LEU 11 Cb 0.00 -0.14 -0.35 0.00 0.37 0.00 0.00 40.66 40.54 3jps h LEU 11 CO 0.00 0.44 -0.89 0.59 -0.34 0.00 0.00 178.44 178.24 3jps n ASN 12 N -4.50 2.90 -0.33 1.25 3.02 -1.26 -4.73 115.26 111.61 3jps n ASN 12 Ca 0.13 -3.03 0.06 0.00 -0.03 0.00 0.00 54.58 51.71 3jps n ASN 12 Cb 0.27 -0.41 0.22 0.00 -0.61 0.00 0.00 39.78 39.25 3jps n ASN 12 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3jps h GLY 13 N 1.99 1.50 0.66 7.41 0.00 -1.83 -0.88 103.07 111.93 3jps h GLY 13 Ca 0.08 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.08 3jps h GLY 13 CO 0.38 0.11 -0.04 -1.33 0.00 0.00 0.00 176.54 175.66 3jps h GLY 14 N 0.87 0.11 0.97 4.60 0.00 -1.90 0.77 103.07 108.49 3jps h GLY 14 Ca 0.46 0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.80 3jps h GLY 14 CO -0.28 -0.07 0.08 -2.22 0.00 0.00 0.00 176.54 174.06 3jps h ILE 15 N -0.01 1.25 -0.52 2.60 2.04 -1.83 -2.00 117.51 119.04 3jps h ILE 15 Ca 0.08 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.95 3jps h ILE 15 Cb 0.13 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3jps h ILE 15 CO -0.17 0.32 -0.03 0.71 0.00 0.00 0.00 178.15 178.98 3jps h THR 16 N 0.65 1.26 -0.50 -0.27 1.35 -0.90 -1.38 112.91 113.11 3jps h THR 16 Ca 0.14 -1.11 -0.03 0.00 -0.55 0.00 0.00 66.41 64.86 3jps h THR 16 Cb 0.38 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 3jps h THR 16 CO 0.01 0.39 0.19 0.44 -0.25 0.00 0.00 175.52 176.30 3jps h ASP 17 N 0.83 0.71 -0.34 5.36 3.32 -0.74 -0.33 116.42 125.22 3jps h ASP 17 Ca 0.15 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.04 3jps h ASP 17 Cb 0.53 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3jps h ASP 17 CO 0.03 0.70 0.19 -0.03 -1.72 0.00 0.00 179.24 178.40 3jps h MET 18 N 0.68 0.37 -0.44 3.56 1.85 -1.03 -0.20 114.93 119.72 3jps h MET 18 Ca 0.17 -0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.16 3jps h MET 18 Cb 0.22 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.15 3jps h MET 18 CO -0.01 0.24 -0.03 -0.07 -0.40 0.00 0.00 176.91 176.64 3jps h LEU 19 N 0.38 0.70 -0.69 3.39 3.38 -1.09 -1.59 115.31 119.79 3jps h LEU 19 Ca 0.14 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3jps h LEU 19 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3jps h LEU 19 CO -0.08 0.79 -0.31 0.74 0.09 0.00 0.00 178.44 179.67 3jps h THR 20 N 0.68 1.28 -0.57 0.22 2.02 -0.52 0.31 112.91 116.34 3jps h THR 20 Ca 0.13 -1.44 -0.10 0.00 0.77 0.00 0.00 66.41 65.77 3jps h THR 20 Cb 0.47 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3jps h THR 20 CO 0.02 0.47 -0.03 -0.08 0.37 0.00 0.00 175.52 176.27 3jps h GLU 21 N 0.57 1.01 -0.60 6.66 4.81 -0.71 -1.01 114.58 125.32 3jps h GLU 21 Ca 0.07 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 3jps h GLU 21 Cb 0.82 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3jps h GLU 21 CO 0.07 1.01 0.14 -0.07 -0.73 0.00 0.00 179.01 179.44 3jps h LEU 22 N 0.92 0.91 -0.15 1.64 3.38 -0.96 -1.46 115.31 119.60 3jps h LEU 22 Ca 0.16 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3jps h LEU 22 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3jps h LEU 22 CO 0.03 0.91 0.08 0.00 0.09 0.00 0.00 178.44 179.55 3jps h ALA 23 N 1.04 0.17 -0.52 1.53 0.00 -0.54 -1.55 119.26 119.40 3jps h ALA 23 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3jps h ALA 23 Cb 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3jps h ALA 23 CO 0.00 -0.36 0.25 -0.91 0.00 0.00 0.00 179.25 178.23 3jps h ASN 24 N 0.16 0.65 -0.07 0.00 2.35 -1.02 -1.23 115.58 116.42 3jps h ASN 24 Ca 0.06 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3jps h ASN 24 Cb 0.00 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 3jps h ASN 24 CO -0.04 0.56 0.03 0.15 -1.65 0.00 0.00 177.43 176.48 3jps h PHE 25 N 0.73 0.11 -0.89 1.19 3.04 -0.74 0.95 116.94 121.34 3jps h PHE 25 Ca 0.18 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 3jps h PHE 25 Cb 0.08 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 3jps h PHE 25 CO 0.01 0.24 0.47 0.93 -2.02 0.00 0.00 178.31 177.93 3jps h GLU 26 N -0.04 1.25 0.08 1.11 4.39 -0.93 0.11 114.58 120.54 3jps h GLU 26 Ca 0.02 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3jps h GLU 26 Cb 0.17 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3jps h GLU 26 CO -0.00 0.93 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.52 3jps h LYS 27 N 1.25 -0.10 0.02 2.33 3.64 -1.08 0.44 116.57 123.08 3jps h LYS 27 Ca 0.31 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 3jps h LYS 27 Cb 0.06 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3jps h LYS 27 CO -0.05 0.38 -0.47 -0.91 -2.27 0.00 0.00 179.45 176.14 3jps h ASN 28 N -0.63 0.37 0.00 4.20 2.35 -0.77 -3.17 115.58 117.93 3jps h ASN 28 Ca -0.01 -0.81 -0.16 0.00 -0.55 0.00 0.00 56.30 54.77 3jps h ASN 28 Cb 0.53 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3jps h ASN 28 CO 0.02 1.14 -1.12 0.52 -1.65 0.00 0.00 177.43 176.34 3jps n VAL 29 N -4.33 1.49 0.42 2.81 0.31 0.33 -4.44 118.33 114.92 3jps n VAL 29 Ca -0.11 0.04 0.13 0.00 -0.01 0.00 0.00 64.34 64.39 3jps n VAL 29 Cb 0.62 -2.18 0.37 0.00 -0.91 0.00 0.00 33.84 31.75 3jps n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3jps h SER 30 N -1.00 0.00 -6.27 4.52 0.02 -1.36 -3.47 113.55 105.99 3jps h SER 30 Ca -0.23 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.26 3jps h SER 30 Cb 1.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3jps h SER 30 CO -0.14 0.00 -0.82 0.00 -1.14 0.00 0.00 176.83 174.72 3jps n GLN 31 N -2.64 -4.63 -3.80 3.45 6.02 0.11 -4.90 117.38 110.99 3jps n GLN 31 Ca 0.04 0.55 -0.31 0.00 -0.01 0.00 0.00 57.00 57.28 3jps n GLN 31 Cb 0.42 -5.11 -0.10 0.00 1.02 0.00 0.00 30.24 26.47 3jps n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jps n ALA 32 N -4.41 3.57 -0.35 -1.58 0.00 0.11 -4.96 120.51 112.88 3jps n ALA 32 Ca -0.19 -4.56 0.09 0.00 0.00 0.00 0.00 53.44 48.77 3jps n ALA 32 Cb 0.63 -1.25 0.27 0.00 0.00 0.00 0.00 19.45 19.10 3jps n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3jps h ILE 33 N 4.24 0.85 -0.09 0.00 6.09 -1.89 -1.00 117.51 125.70 3jps h ILE 33 Ca 0.16 -0.31 -0.12 0.00 -1.37 0.00 0.00 64.86 63.22 3jps h ILE 33 Cb 0.77 -0.14 -0.01 0.00 0.47 0.00 0.00 36.82 37.91 3jps h ILE 33 CO 0.77 0.17 -0.47 0.45 -3.07 0.00 0.00 178.15 176.00 3jps h HIS 34 N 0.91 0.26 -0.21 2.19 3.86 -1.96 -0.93 115.15 119.28 3jps h HIS 34 Ca 0.52 -0.08 -0.18 0.00 -1.16 0.00 0.00 60.37 59.47 3jps h HIS 34 Cb 0.63 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 3jps h HIS 34 CO -0.00 0.65 -0.59 0.87 0.86 0.00 0.00 177.93 179.72 3jps h LYS 35 N 0.18 0.67 -0.06 2.45 1.57 -1.74 -0.72 116.57 118.91 3jps h LYS 35 Ca 0.01 -0.44 0.02 0.00 -1.87 0.00 0.00 60.65 58.37 3jps h LYS 35 Cb 0.90 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 3jps h LYS 35 CO 0.07 1.06 -0.09 -0.92 -0.57 0.00 0.00 179.45 179.01 3jps h TYR 36 N 0.50 -0.22 -0.36 -1.35 3.20 -0.81 -1.04 116.97 116.89 3jps h TYR 36 Ca 0.00 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3jps h TYR 36 Cb 1.16 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 3jps h TYR 36 CO 0.06 -0.14 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.40 3jps h ASN 37 N -0.12 0.62 -0.24 -2.11 2.35 -1.07 -1.37 115.58 113.63 3jps h ASN 37 Ca 0.06 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 3jps h ASN 37 Cb 0.20 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3jps h ASN 37 CO -0.14 0.78 0.09 0.00 -1.65 0.00 0.00 177.43 176.51 3jps h ALA 38 N 1.29 0.27 -0.69 -0.83 0.00 -0.64 -0.45 119.26 118.21 3jps h ALA 38 Ca 0.10 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3jps h ALA 38 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3jps h ALA 38 CO 0.03 -0.32 0.20 1.88 0.00 0.00 0.00 179.25 181.04 3jps h TYR 39 N 0.20 1.14 -0.58 0.00 0.05 -0.93 -2.15 116.97 114.70 3jps h TYR 39 Ca 0.10 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3jps h TYR 39 Cb 0.06 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.45 3jps h TYR 39 CO -0.12 0.92 0.34 0.00 -1.05 0.00 0.00 178.16 178.25 3jps h ARG 40 N 1.03 0.80 -0.38 4.88 3.08 -0.83 -0.78 114.38 122.18 3jps h ARG 40 Ca 0.22 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3jps h ARG 40 Cb 0.33 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3jps h ARG 40 CO -0.00 0.59 0.20 -0.22 -1.07 0.00 0.00 179.97 179.47 3jps h LYS 41 N 0.78 0.54 -0.23 0.04 3.64 -0.95 0.15 116.57 120.54 3jps h LYS 41 Ca 0.21 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3jps h LYS 41 Cb 0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3jps h LYS 41 CO -0.04 0.45 0.14 0.00 -2.27 0.00 0.00 179.45 177.74 3jps h ALA 42 N 1.05 0.29 -0.52 5.00 0.00 -1.15 0.11 119.26 124.04 3jps h ALA 42 Ca 0.13 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3jps h ALA 42 Cb 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3jps h ALA 42 CO -0.02 -0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.25 3jps h ALA 43 N 1.09 0.66 -0.13 0.00 0.00 -0.89 -1.23 119.26 118.78 3jps h ALA 43 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3jps h ALA 43 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3jps h ALA 43 CO -0.03 -0.08 0.07 1.03 0.00 0.00 0.00 179.25 180.24 3jps h SER 44 N 0.51 0.16 -0.17 0.00 0.87 -0.05 0.54 113.55 115.41 3jps h SER 44 Ca 0.23 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3jps h SER 44 Cb 0.13 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3jps h SER 44 CO -0.16 0.19 0.00 0.58 -0.53 0.00 0.00 176.83 176.91 3jps h VAL 45 N 0.11 1.17 0.06 2.23 2.07 -0.50 -2.54 116.25 118.86 3jps h VAL 45 Ca 0.04 -0.65 -0.27 0.00 0.82 0.00 0.00 66.70 66.64 3jps h VAL 45 Cb 0.06 0.96 0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3jps h VAL 45 CO -0.01 0.22 -1.13 0.40 0.02 0.00 0.00 177.57 177.07 3jps h ILE 46 N 0.40 1.32 0.00 4.57 2.04 -1.00 -2.78 117.51 122.06 3jps h ILE 46 Ca 0.09 -2.44 -0.01 0.00 1.00 0.00 0.00 64.86 63.50 3jps h ILE 46 Cb 0.27 2.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3jps h ILE 46 CO 0.01 0.74 -0.06 0.00 0.00 0.00 0.00 178.15 178.84 3jps h ALA 47 N 0.43 1.69 0.00 1.87 0.00 -0.64 -1.38 119.26 121.24 3jps h ALA 47 Ca -0.15 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3jps h ALA 47 Cb 1.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3jps h ALA 47 CO 0.21 0.08 -0.50 -0.22 0.00 0.00 0.00 179.25 178.82 3jps h LYS 48 N 0.00 0.00 -6.35 0.00 3.64 -1.40 -3.46 116.57 108.99 3jps h LYS 48 Ca -0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 3jps h LYS 48 Cb 0.12 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3jps h LYS 48 CO 0.01 0.25 1.22 -0.47 -2.27 0.00 0.00 179.45 178.19 3jps s TYR 49 N -3.08 1.35 -1.67 1.91 5.04 -0.52 -4.88 117.35 115.49 3jps s TYR 49 Ca 0.04 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 3jps s TYR 49 Cb 0.07 -4.22 0.00 0.00 0.35 0.00 0.00 41.96 38.16 3jps s TYR 49 CO 0.73 -5.44 0.65 -0.35 -1.34 0.00 0.00 175.55 169.81 3jps n PRO 50 N 7.47 0.78 -4.21 4.97 -0.04 -1.26 -4.79 135.00 137.91 3jps n PRO 50 Ca 0.20 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.47 3jps n PRO 50 Cb 0.41 -1.13 -0.12 0.00 -0.04 0.00 0.00 33.50 32.62 3jps n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3jps s HIS 51 N -1.67 1.34 -0.34 0.54 3.76 -1.26 -5.10 115.29 112.57 3jps s HIS 51 Ca 0.00 -0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 54.14 3jps s HIS 51 Cb 0.00 -0.74 0.02 0.00 1.11 0.00 0.00 32.58 32.97 3jps s HIS 51 CO 0.00 0.10 1.14 0.21 -0.85 0.00 0.00 174.74 175.33 3jps s LYS 52 N -2.02 3.98 0.14 1.40 2.20 -1.26 -4.81 119.74 119.36 3jps s LYS 52 Ca 0.02 1.03 -0.31 0.00 -0.36 0.00 0.00 55.97 56.35 3jps s LYS 52 Cb -0.09 -3.79 -0.10 0.00 -1.51 0.00 0.00 37.83 32.34 3jps s LYS 52 CO 0.03 -1.03 1.75 0.42 -0.36 0.00 0.00 175.35 176.16 3jps s ILE 53 N 3.94 2.50 -0.10 5.43 1.01 -1.26 -4.91 121.20 127.80 3jps s ILE 53 Ca 0.48 0.15 0.22 0.00 0.00 0.00 0.00 60.65 61.50 3jps s ILE 53 Cb -0.12 -3.10 -0.23 0.00 0.01 0.00 0.00 42.46 39.02 3jps s ILE 53 CO 0.20 0.00 0.66 0.29 0.00 0.00 0.00 174.94 176.09 3jps n LYS 54 N 5.08 0.64 -3.58 2.79 5.02 -1.26 -5.03 118.16 121.82 3jps n LYS 54 Ca 0.17 -0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 3jps n LYS 54 Cb 0.38 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3jps n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3jps s SER 55 N -4.83 -0.42 0.31 4.39 1.04 -1.26 -5.02 113.70 107.90 3jps s SER 55 Ca -0.06 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.20 3jps s SER 55 Cb 0.12 0.60 0.50 0.00 0.10 0.00 0.00 66.02 67.34 3jps s SER 55 CO 0.87 -1.02 1.80 1.23 0.98 0.00 0.00 173.24 177.09 3jps h GLY 56 N 2.00 0.56 0.99 7.32 0.00 -1.85 -2.40 103.07 109.69 3jps h GLY 56 Ca -0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3jps h GLY 56 CO 0.32 0.36 0.33 0.00 0.00 0.00 0.00 176.54 177.54 3jps h ALA 57 N 1.40 0.71 -0.97 3.60 0.00 -1.96 0.16 119.26 122.20 3jps h ALA 57 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jps h ALA 57 Cb 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3jps h ALA 57 CO 0.03 0.20 0.61 1.49 0.00 0.00 0.00 179.25 181.58 3jps h GLU 58 N 0.75 1.30 -0.30 0.00 4.81 -1.88 -2.63 114.58 116.64 3jps h GLU 58 Ca 0.20 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 3jps h GLU 58 Cb 0.00 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 3jps h GLU 58 CO -0.04 0.89 -0.39 0.00 -0.73 0.00 0.00 179.01 178.75 3jps h ALA 59 N 1.34 0.76 0.00 2.92 0.00 -0.86 -2.99 119.26 120.42 3jps h ALA 59 Ca 0.35 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3jps h ALA 59 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3jps h ALA 59 CO -0.07 0.66 0.00 -0.22 0.00 0.00 0.00 179.25 179.62 3jps h LYS 60 N 0.58 0.00 0.00 0.00 3.64 -0.33 -0.41 116.57 120.05 3jps h LYS 60 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3jps h LYS 60 Cb 0.92 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3jps h LYS 60 CO 0.08 0.00 -0.00 0.87 -2.27 0.00 0.00 179.45 178.13 3jps h LYS 61 N 0.00 0.00 -6.42 1.90 1.57 -1.48 -3.43 116.57 108.70 3jps h LYS 61 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3jps h LYS 61 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3jps h LYS 61 CO 0.00 0.00 0.11 -0.51 -0.57 0.00 0.00 179.45 178.48 3jps s LEU 62 N -6.18 4.57 0.08 2.94 1.43 -0.16 -5.01 118.68 116.34 3jps s LEU 62 Ca 0.00 1.52 -0.31 0.00 -1.03 0.00 0.00 54.13 54.31 3jps s LEU 62 Cb 0.10 -3.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.06 3jps s LEU 62 CO 0.52 0.22 1.62 -2.16 0.23 0.00 0.00 176.35 176.78 3jps s PRO 63 N -1.06 4.21 0.00 1.29 0.04 -1.26 -2.01 135.00 136.21 3jps s PRO 63 Ca 0.34 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3jps s PRO 63 Cb -0.22 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.79 3jps s PRO 63 CO 0.24 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3jps n GLY 64 N 3.93 2.76 3.38 0.56 0.00 -1.26 -4.84 105.19 109.71 3jps n GLY 64 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3jps n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jps s VAL 65 N -2.44 4.92 0.00 1.61 1.01 -0.85 -4.41 120.40 120.24 3jps s VAL 65 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3jps s VAL 65 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3jps s VAL 65 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.28 3jps n GLY 66 N 5.10 2.14 0.24 4.51 0.00 -1.26 -4.46 105.19 111.46 3jps n GLY 66 Ca -0.12 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 3jps n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jps h THR 67 N 0.01 1.24 -0.37 2.61 2.02 -1.97 -1.19 112.91 115.26 3jps h THR 67 Ca 0.00 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 3jps h THR 67 Cb 0.00 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3jps h THR 67 CO 0.00 0.31 0.21 0.11 0.37 0.00 0.00 175.52 176.52 3jps h LYS 68 N 0.68 0.50 -0.02 6.66 1.79 -2.00 -1.30 116.57 122.89 3jps h LYS 68 Ca 0.16 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.43 3jps h LYS 68 Cb 0.33 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 3jps h LYS 68 CO 0.00 0.40 -0.66 0.82 -1.08 0.00 0.00 179.45 178.93 3jps h ILE 69 N 0.47 1.45 -0.70 1.86 2.04 -1.94 -2.38 117.51 118.32 3jps h ILE 69 Ca 0.13 -2.20 -0.07 0.00 1.00 0.00 0.00 64.86 63.72 3jps h ILE 69 Cb 0.03 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3jps h ILE 69 CO -0.02 0.64 0.16 0.00 0.00 0.00 0.00 178.15 178.93 3jps h ALA 70 N 1.28 0.97 -0.51 1.87 0.00 -0.94 -0.50 119.26 121.43 3jps h ALA 70 Ca -0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3jps h ALA 70 Cb 1.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3jps h ALA 70 CO 0.09 0.66 0.04 0.93 0.00 0.00 0.00 179.25 180.98 3jps h GLU 71 N 1.06 0.86 -0.61 0.00 5.08 -1.04 -1.97 114.58 117.96 3jps h GLU 71 Ca 0.22 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3jps h GLU 71 Cb 0.38 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3jps h GLU 71 CO 0.00 0.88 0.27 0.87 -1.00 0.00 0.00 179.01 180.03 3jps h LYS 72 N 0.74 0.90 -0.77 2.33 1.57 -1.09 -1.51 116.57 118.74 3jps h LYS 72 Ca 0.15 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3jps h LYS 72 Cb 0.46 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3jps h LYS 72 CO 0.02 0.75 0.43 0.82 -0.57 0.00 0.00 179.45 180.89 3jps h ILE 73 N 0.85 1.23 -0.32 1.86 2.04 -0.94 0.14 117.51 122.36 3jps h ILE 73 Ca 0.21 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3jps h ILE 73 Cb 0.16 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3jps h ILE 73 CO -0.02 0.25 0.14 0.44 0.00 0.00 0.00 178.15 178.96 3jps h ASP 74 N 1.07 0.43 -0.18 1.72 3.32 -0.82 0.48 116.42 122.45 3jps h ASP 74 Ca 0.27 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3jps h ASP 74 Cb 0.02 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3jps h ASP 74 CO -0.04 0.47 0.11 -0.08 -1.72 0.00 0.00 179.24 177.97 3jps h GLU 75 N 0.37 0.24 -0.78 3.56 4.81 -0.63 -1.39 114.58 120.77 3jps h GLU 75 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3jps h GLU 75 Cb 0.16 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3jps h GLU 75 CO -0.01 0.19 0.50 0.35 -0.73 0.00 0.00 179.01 179.31 3jps h PHE 76 N 0.22 0.99 -0.45 0.92 3.57 -0.55 -0.73 116.94 120.91 3jps h PHE 76 Ca 0.06 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3jps h PHE 76 Cb 0.01 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 3jps h PHE 76 CO -0.06 0.64 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.49 3jps h LEU 77 N 1.06 0.81 -0.17 0.59 3.38 -0.70 0.56 115.31 120.83 3jps h LEU 77 Ca 0.28 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 3jps h LEU 77 Cb -0.10 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.44 3jps h LEU 77 CO -0.06 0.93 -0.67 0.00 0.09 0.00 0.00 178.44 178.74 3jps h ALA 78 N 1.14 0.32 0.00 1.53 0.00 -0.88 -3.38 119.26 117.99 3jps h ALA 78 Ca 0.12 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3jps h ALA 78 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3jps h ALA 78 CO 0.04 0.62 -1.00 0.25 0.00 0.00 0.00 179.25 179.15 3jps n THR 79 N -4.02 0.00 -0.74 0.00 -2.24 -0.31 -5.00 114.28 101.97 3jps n THR 79 Ca -0.07 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3jps n THR 79 Cb 0.69 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3jps n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jps n GLY 80 N 1.64 0.64 3.81 3.38 0.00 0.20 -5.00 105.19 109.86 3jps n GLY 80 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 3jps n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jps s LYS 81 N -0.26 2.18 -0.11 1.61 -2.85 -1.24 -5.03 119.74 114.05 3jps s LYS 81 Ca 0.00 -1.40 -0.01 0.00 -1.00 0.00 0.00 55.97 53.56 3jps s LYS 81 Cb 0.00 0.61 0.03 0.00 -2.06 0.00 0.00 37.83 36.42 3jps s LYS 81 CO 0.00 -1.02 -0.02 -1.17 0.10 0.00 0.00 175.35 173.24 3jps s LEU 82 N -3.08 0.96 0.26 2.77 2.96 -1.26 -3.64 118.68 117.65 3jps s LEU 82 Ca 0.16 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3jps s LEU 82 Cb -0.05 -0.63 0.48 0.00 0.50 0.00 0.00 46.19 46.49 3jps s LEU 82 CO 0.11 -0.19 1.81 0.03 -1.32 0.00 0.00 176.35 176.80 3jps h ARG 83 N 8.25 0.82 -0.38 1.98 3.08 -1.98 -0.61 114.38 125.54 3jps h ARG 83 Ca -0.23 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 59.84 3jps h ARG 83 Cb 1.12 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.93 3jps h ARG 83 CO 0.33 0.54 0.02 -0.22 -1.07 0.00 0.00 179.97 179.58 3jps h LYS 84 N 0.85 0.13 -0.32 0.04 3.64 -2.00 -0.78 116.57 118.13 3jps h LYS 84 Ca 0.45 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.75 3jps h LYS 84 Cb 0.45 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3jps h LYS 84 CO -0.27 0.08 -0.06 -0.07 -2.27 0.00 0.00 179.45 176.87 3jps h LEU 85 N 0.13 0.60 -0.80 5.20 3.38 -1.82 -2.34 115.31 119.66 3jps h LEU 85 Ca 0.18 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 57.98 3jps h LEU 85 Cb 0.25 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 3jps h LEU 85 CO -0.29 0.81 0.28 -0.33 0.09 0.00 0.00 178.44 179.00 3jps h GLU 86 N 0.38 0.35 -0.35 1.13 4.39 -0.50 0.11 114.58 120.09 3jps h GLU 86 Ca 0.08 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 3jps h GLU 86 Cb 0.53 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3jps h GLU 86 CO 0.03 0.23 -0.34 0.87 -1.16 0.00 0.00 179.01 178.64 3jps h LYS 87 N 0.36 0.78 -0.67 2.33 1.57 -1.03 -2.86 116.57 117.07 3jps h LYS 87 Ca 0.46 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3jps h LYS 87 Cb 0.80 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3jps h LYS 87 CO -0.49 1.01 0.29 0.82 -0.57 0.00 0.00 179.45 180.51 3jps h ILE 88 N 0.65 1.23 -0.41 1.86 2.04 -0.34 -2.38 117.51 120.17 3jps h ILE 88 Ca 0.07 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3jps h ILE 88 Cb 0.89 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3jps h ILE 88 CO 0.08 0.28 0.13 0.03 0.00 0.00 0.00 178.15 178.67 3jps h ARG 89 N 0.94 0.59 0.00 2.37 3.08 -0.83 -2.08 114.38 118.44 3jps h ARG 89 Ca 0.23 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3jps h ARG 89 Cb 0.17 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3jps h ARG 89 CO -0.02 0.52 0.00 1.04 -1.07 0.00 0.00 179.97 180.43 3jps n GLN 90 N -4.35 0.18 -2.53 0.04 1.13 -0.99 -4.72 117.38 106.15 3jps n GLN 90 Ca 0.03 0.17 -0.43 0.00 -1.94 0.00 0.00 57.00 54.83 3jps n GLN 90 Cb 0.17 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 28.78 3jps n GLN 90 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3jps s ASP 91 N -4.07 6.79 0.16 1.08 2.15 -0.78 -4.92 116.67 117.08 3jps s ASP 91 Ca 0.11 1.11 -0.16 0.00 0.43 0.00 0.00 52.55 54.04 3jps s ASP 91 Cb 0.14 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 3jps s ASP 91 CO 0.56 -0.99 1.80 0.44 -0.17 0.00 0.00 175.17 176.81 3jps h ASP 92 N 8.71 0.40 -0.11 -0.34 3.32 -1.85 -0.81 116.42 125.74 3jps h ASP 92 Ca -0.23 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 3jps h ASP 92 Cb 1.08 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 3jps h ASP 92 CO 1.04 0.29 0.05 0.74 -1.72 0.00 0.00 179.24 179.63 3jps h THR 93 N 0.49 1.13 -0.48 0.35 2.02 -1.94 0.58 112.91 115.05 3jps h THR 93 Ca 0.16 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3jps h THR 93 Cb -0.01 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3jps h THR 93 CO -0.06 0.11 0.30 0.28 0.37 0.00 0.00 175.52 176.52 3jps h SER 94 N 0.04 0.49 -0.56 4.18 0.02 -1.83 -0.90 113.55 114.98 3jps h SER 94 Ca 0.04 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3jps h SER 94 Cb 0.14 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3jps h SER 94 CO -0.00 0.35 0.31 0.28 -1.14 0.00 0.00 176.83 176.63 3jps h SER 95 N 0.60 0.71 -0.29 3.07 0.02 -0.96 -0.30 113.55 116.40 3jps h SER 95 Ca 0.18 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3jps h SER 95 Cb -0.02 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3jps h SER 95 CO -0.07 0.59 0.12 0.28 -1.14 0.00 0.00 176.83 176.61 3jps h SER 96 N 0.76 0.40 -0.41 3.07 0.02 -0.54 -0.59 113.55 116.25 3jps h SER 96 Ca 0.20 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3jps h SER 96 Cb 0.04 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3jps h SER 96 CO -0.03 0.45 0.23 0.40 -1.14 0.00 0.00 176.83 176.74 3jps h ILE 97 N 0.32 1.15 -0.46 3.27 2.04 -1.00 -1.73 117.51 121.09 3jps h ILE 97 Ca 0.10 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3jps h ILE 97 Cb 0.18 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3jps h ILE 97 CO -0.01 0.15 0.24 0.78 0.00 0.00 0.00 178.15 179.32 3jps h ASN 98 N 0.53 0.36 0.41 1.72 2.35 -0.85 -2.69 115.58 117.41 3jps h ASN 98 Ca 0.14 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3jps h ASN 98 Cb 0.04 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3jps h ASN 98 CO -0.02 0.26 -0.31 0.15 -1.65 0.00 0.00 177.43 175.86 3jps h PHE 99 N 0.48 -0.81 -0.94 1.19 3.57 -0.69 -3.03 116.94 116.72 3jps h PHE 99 Ca 0.19 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.84 3jps h PHE 99 Cb 0.08 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 3jps h PHE 99 CO -0.09 -0.46 0.60 -0.07 -2.23 0.00 0.00 178.31 176.06 3jps h LEU 100 N -0.71 0.73 0.00 0.59 3.38 -1.23 0.45 115.31 118.52 3jps h LEU 100 Ca -0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3jps h LEU 100 Cb 0.61 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3jps h LEU 100 CO 0.01 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.25 3jps n THR 101 N -4.60 1.63 0.51 0.22 -2.24 -1.02 -1.07 114.28 107.70 3jps n THR 101 Ca 0.19 0.41 0.13 0.00 -2.27 0.00 0.00 64.05 62.50 3jps n THR 101 Cb 0.46 -1.33 0.43 0.00 -2.10 0.00 0.00 70.33 67.79 3jps n THR 101 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3jps h ARG 102 N 0.00 0.00 -6.02 -0.78 3.08 -0.96 -3.43 114.38 106.27 3jps h ARG 102 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3jps h ARG 102 Cb 0.08 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 3jps h ARG 102 CO 0.00 0.00 0.45 0.08 -1.07 0.00 0.00 179.97 179.43 3jps s VAL 103 N -3.20 4.85 0.20 2.04 1.01 -0.24 -4.99 120.40 120.06 3jps s VAL 103 Ca 0.08 1.74 -0.33 0.00 0.00 0.00 0.00 61.98 63.48 3jps s VAL 103 Cb 0.11 -4.19 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 3jps s VAL 103 CO 0.54 0.01 1.69 -0.24 0.00 0.00 0.00 175.10 177.09 3jps n SER 104 N 5.25 3.77 0.00 3.32 2.88 -1.26 -1.32 113.62 126.26 3jps n SER 104 Ca 0.06 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 3jps n SER 104 Cb 0.49 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 3jps n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3jps n GLY 105 N 3.82 2.82 3.46 0.46 0.00 -1.26 -3.98 105.19 110.51 3jps n GLY 105 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3jps n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jps s ILE 106 N -2.63 5.09 0.01 -0.61 1.01 -0.43 -4.71 121.20 118.93 3jps s ILE 106 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3jps s ILE 106 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3jps s ILE 106 CO 0.00 -0.20 0.02 0.61 0.00 0.00 0.00 174.94 175.36 3jps n GLY 107 N 5.10 2.14 0.35 6.18 0.00 -1.26 -4.24 105.19 113.46 3jps n GLY 107 Ca -0.12 -2.14 0.08 0.00 0.00 0.00 0.00 46.02 43.84 3jps n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jps h PRO 108 N 0.00 0.83 0.14 1.61 0.11 -1.86 0.31 132.00 133.14 3jps h PRO 108 Ca -0.01 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3jps h PRO 108 Cb 0.03 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3jps h PRO 108 CO 0.01 0.55 -0.07 1.03 -0.21 0.00 0.00 178.00 179.32 3jps h SER 109 N 0.86 -0.16 -0.95 -2.05 0.87 -1.95 -2.54 113.55 107.64 3jps h SER 109 Ca 0.50 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3jps h SER 109 Cb 0.61 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 3jps h SER 109 CO -0.31 0.33 0.63 0.00 -0.53 0.00 0.00 176.83 176.95 3jps h ALA 110 N 0.01 1.36 -0.18 6.23 0.00 -1.89 -1.26 119.26 123.54 3jps h ALA 110 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3jps h ALA 110 Cb 0.51 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3jps h ALA 110 CO 0.03 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.93 3jps h ALA 111 N 1.43 0.23 -0.74 0.00 0.00 -0.97 0.25 119.26 119.46 3jps h ALA 111 Ca 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3jps h ALA 111 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3jps h ALA 111 CO -0.10 -0.23 0.29 -0.09 0.00 0.00 0.00 179.25 179.12 3jps h ARG 112 N 0.17 1.11 0.21 0.00 2.43 -1.12 -1.46 114.38 115.72 3jps h ARG 112 Ca 0.06 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3jps h ARG 112 Cb 0.09 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3jps h ARG 112 CO -0.01 0.91 -0.10 -0.22 -1.51 0.00 0.00 179.97 179.04 3jps h LYS 113 N 1.07 -0.27 -0.76 0.20 3.64 -0.97 -1.48 116.57 118.00 3jps h LYS 113 Ca 0.25 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.75 3jps h LYS 113 Cb 0.22 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 3jps h LYS 113 CO -0.02 -0.09 0.38 0.74 -2.27 0.00 0.00 179.45 178.19 3jps h PHE 114 N -0.40 0.68 -0.95 1.91 0.04 -0.80 0.37 116.94 117.80 3jps h PHE 114 Ca -0.03 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3jps h PHE 114 Cb 0.31 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 3jps h PHE 114 CO -0.03 0.23 0.62 0.28 -0.60 0.00 0.00 178.31 178.81 3jps h VAL 115 N 0.62 1.18 -0.56 -0.55 2.07 -1.00 0.63 116.25 118.65 3jps h VAL 115 Ca 0.38 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3jps h VAL 115 Cb 0.44 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3jps h VAL 115 CO -0.29 0.22 0.18 0.44 0.02 0.00 0.00 177.57 178.14 3jps h ASP 116 N 1.21 0.76 -0.02 0.57 3.32 0.12 -1.23 116.42 121.15 3jps h ASP 116 Ca 0.37 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3jps h ASP 116 Cb -0.02 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3jps h ASP 116 CO -0.11 0.72 0.00 -0.62 -1.72 0.00 0.00 179.24 177.51 3jps n GLU 117 N -4.30 1.05 -0.97 3.56 1.02 -0.46 -4.87 120.64 115.66 3jps n GLU 117 Ca 0.04 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3jps n GLU 117 Cb 0.19 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3jps n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jps n GLY 118 N 0.71 0.50 3.40 0.62 0.00 -0.46 -5.00 105.19 104.96 3jps n GLY 118 Ca 0.09 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3jps n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jps s ILE 119 N -2.00 5.03 0.00 -0.61 1.01 0.09 -4.85 121.20 119.86 3jps s ILE 119 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3jps s ILE 119 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3jps s ILE 119 CO 0.00 -0.78 0.22 0.29 0.00 0.00 0.00 174.94 174.67 3jps n LYS 120 N 5.76 0.76 -4.34 2.79 5.02 -1.26 -3.11 118.16 123.78 3jps n LYS 120 Ca -0.10 -0.22 -0.18 0.00 -2.02 0.00 0.00 58.31 55.79 3jps n LYS 120 Cb 0.44 -0.67 -0.10 0.00 -0.02 0.00 0.00 35.03 34.67 3jps n LYS 120 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3jps s THR 121 N -0.17 0.61 0.22 -0.18 -4.23 -1.26 -4.86 115.64 105.78 3jps s THR 121 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 3jps s THR 121 Cb 0.00 -2.64 0.19 0.00 1.34 0.00 0.00 72.50 71.39 3jps s THR 121 CO 0.00 0.00 1.88 0.25 -0.54 0.00 0.00 174.62 176.21 3jps h LEU 122 N 2.31 0.91 -0.82 4.79 5.85 -1.99 -0.15 115.31 126.21 3jps h LEU 122 Ca -0.38 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3jps h LEU 122 Cb 1.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3jps h LEU 122 CO 0.61 0.64 0.53 -0.33 -0.34 0.00 0.00 178.44 179.54 3jps h GLU 123 N 1.07 1.10 -0.13 1.25 3.07 -2.00 -1.50 114.58 117.44 3jps h GLU 123 Ca 0.32 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 3jps h GLU 123 Cb -0.05 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.62 3jps h GLU 123 CO -0.09 0.74 0.05 -0.44 -1.40 0.00 0.00 179.01 177.87 3jps h ASP 124 N 1.12 0.18 -0.34 1.42 3.32 -1.65 -2.48 116.42 117.98 3jps h ASP 124 Ca 0.30 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.24 3jps h ASP 124 Cb -0.10 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 3jps h ASP 124 CO -0.06 0.30 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.66 3jps h LEU 125 N 0.04 -0.19 -0.65 1.55 3.38 -0.75 -2.18 115.31 116.51 3jps h LEU 125 Ca 0.04 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3jps h LEU 125 Cb 0.18 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3jps h LEU 125 CO -0.00 -0.06 0.35 0.03 0.09 0.00 0.00 178.44 178.85 3jps h ARG 126 N 0.07 0.64 -0.05 1.13 3.08 -1.17 -0.86 114.38 117.22 3jps h ARG 126 Ca 0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3jps h ARG 126 Cb 0.24 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3jps h ARG 126 CO -0.30 0.42 0.00 0.36 -1.07 0.00 0.00 179.97 179.38 3jps n LYS 127 N -4.81 1.13 -0.80 0.04 2.85 -0.95 -3.34 118.16 112.30 3jps n LYS 127 Ca 0.08 -0.20 0.03 0.00 -1.05 0.00 0.00 58.31 57.17 3jps n LYS 127 Cb 0.17 -1.15 0.05 0.00 -0.65 0.00 0.00 35.03 33.45 3jps n LYS 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3jps n ASN 128 N -0.43 0.83 0.29 -5.58 3.02 -0.40 -4.85 115.26 108.15 3jps n ASN 128 Ca 0.07 -2.35 0.12 0.00 -0.03 0.00 0.00 54.58 52.39 3jps n ASN 128 Cb 0.07 -0.30 0.66 0.00 -0.61 0.00 0.00 39.78 39.60 3jps n ASN 128 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3jps h GLU 129 N 0.45 0.00 0.00 3.52 5.08 -1.37 0.16 114.58 122.42 3jps h GLU 129 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3jps h GLU 129 Cb 1.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 3jps h GLU 129 CO 0.03 0.00 -0.07 0.38 -1.00 0.00 0.00 179.01 178.36 3jps h ASP 130 N 0.00 0.00 -0.54 1.42 2.03 -1.88 -2.58 116.42 114.87 3jps h ASP 130 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3jps h ASP 130 Cb 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 3jps h ASP 130 CO 0.00 0.07 0.00 0.29 -1.03 0.00 0.00 179.24 178.57 3jps n LYS 131 N -3.27 2.43 -4.00 4.15 5.02 0.56 -4.94 118.16 118.11 3jps n LYS 131 Ca -0.01 -2.21 -0.32 0.00 -2.02 0.00 0.00 58.31 53.76 3jps n LYS 131 Cb 0.27 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 3jps n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jps s LEU 132 N -1.18 4.08 0.90 -0.35 1.43 -0.97 -5.12 118.68 117.47 3jps s LEU 132 Ca 0.41 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 3jps s LEU 132 Cb 0.22 -2.61 0.18 0.00 0.03 0.00 0.00 46.19 44.01 3jps s LEU 132 CO 0.30 0.20 1.24 0.54 0.23 0.00 0.00 176.35 178.86 3jps s ASN 133 N -2.23 3.46 0.12 2.29 2.20 -1.26 -4.80 114.94 114.72 3jps s ASN 133 Ca 0.29 0.12 -0.24 0.00 -0.94 0.00 0.00 52.86 52.09 3jps s ASN 133 Cb -0.12 -0.25 -0.05 0.00 -2.00 0.00 0.00 41.25 38.82 3jps s ASN 133 CO 0.22 -2.50 1.66 -0.74 -2.94 0.00 0.00 177.10 172.80 3jps h HIS 134 N -1.35 -0.46 -0.16 1.54 -0.00 -1.98 -1.48 115.15 111.26 3jps h HIS 134 Ca -0.42 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.00 3jps h HIS 134 Cb 1.24 0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 28.82 3jps h HIS 134 CO -0.88 -0.25 -0.11 1.25 -0.00 0.00 0.00 177.93 177.94 3jps h HIS 135 N -0.27 -0.26 -0.85 5.26 -0.00 -1.89 -1.94 115.15 115.19 3jps h HIS 135 Ca 0.06 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.52 3jps h HIS 135 Cb 0.36 0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.86 3jps h HIS 135 CO -0.24 -0.16 0.55 1.96 -0.00 0.00 0.00 177.93 180.04 3jps h GLN 136 N -0.11 0.92 -0.77 5.26 4.20 -1.64 -0.95 115.11 122.03 3jps h GLN 136 Ca 0.10 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3jps h GLN 136 Cb 0.25 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3jps h GLN 136 CO -0.23 0.61 0.32 -0.09 -0.67 0.00 0.00 178.83 178.78 3jps h ARG 137 N 0.95 1.14 -0.07 1.46 2.43 -0.53 -0.92 114.38 118.84 3jps h ARG 137 Ca 0.36 -0.20 -0.18 0.00 -0.81 0.00 0.00 59.98 59.15 3jps h ARG 137 Cb 0.20 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3jps h ARG 137 CO -0.13 0.92 -0.74 0.82 -1.51 0.00 0.00 179.97 179.33 3jps h ILE 138 N 1.10 1.39 -0.65 1.20 1.08 -0.80 -1.88 117.51 118.94 3jps h ILE 138 Ca 0.26 -2.18 -0.04 0.00 -0.39 0.00 0.00 64.86 62.51 3jps h ILE 138 Cb 0.19 2.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.06 3jps h ILE 138 CO -0.02 0.65 0.26 1.23 -0.69 0.00 0.00 178.15 179.58 3jps h GLY 139 N 1.35 1.03 1.01 5.37 0.00 -0.84 -2.04 103.07 108.95 3jps h GLY 139 Ca -0.03 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 3jps h GLY 139 CO 0.12 0.50 -0.38 -2.00 0.00 0.00 0.00 176.54 174.79 3jps h LEU 140 N 0.94 0.80 -0.93 3.11 5.85 -1.05 -1.42 115.31 122.62 3jps h LEU 140 Ca 0.22 -0.51 0.09 0.00 0.84 0.00 0.00 57.88 58.53 3jps h LEU 140 Cb 0.18 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 3jps h LEU 140 CO -0.02 1.15 0.57 0.50 -0.34 0.00 0.00 178.44 180.31 3jps h LYS 141 N 0.48 0.94 -0.39 1.25 3.64 -0.98 -2.46 116.57 119.05 3jps h LYS 141 Ca 0.03 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 3jps h LYS 141 Cb 0.97 -0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 32.46 3jps h LYS 141 CO 0.09 0.62 -0.03 0.66 -2.27 0.00 0.00 179.45 178.52 3jps n TYR 142 N -4.63 1.21 -0.13 1.91 4.01 -0.80 -4.78 117.16 113.95 3jps n TYR 142 Ca 0.16 -1.57 -0.05 0.00 -0.16 0.00 0.00 57.90 56.27 3jps n TYR 142 Cb 0.26 -0.51 0.01 0.00 -0.31 0.00 0.00 39.34 38.80 3jps n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3jps h PHE 143 N 1.06 -0.57 0.14 -0.72 3.57 -0.75 -0.13 116.94 119.53 3jps h PHE 143 Ca 0.23 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3jps h PHE 143 Cb 1.72 0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.78 3jps h PHE 143 CO 1.04 -0.30 -0.07 0.78 -2.23 0.00 0.00 178.31 177.53 3jps h GLY 144 N -0.14 -0.19 0.51 2.40 0.00 -1.86 -3.16 103.07 100.63 3jps h GLY 144 Ca 0.20 0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.69 3jps h GLY 144 CO -0.52 -0.07 0.34 -0.55 0.00 0.00 0.00 176.54 175.75 3jps h ASP 145 N -0.40 0.45 0.27 0.19 3.32 -1.80 -1.19 116.42 117.26 3jps h ASP 145 Ca -0.02 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3jps h ASP 145 Cb 0.32 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3jps h ASP 145 CO 0.03 0.27 0.00 0.49 -1.72 0.00 0.00 179.24 178.31 3jps n PHE 146 N -4.86 0.39 0.13 4.55 3.72 -0.09 -1.01 117.46 120.29 3jps n PHE 146 Ca 0.10 0.18 0.05 0.00 -0.05 0.00 0.00 57.45 57.73 3jps n PHE 146 Cb 0.25 -0.79 0.03 0.00 -0.94 0.00 0.00 39.48 38.03 3jps n PHE 146 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3jps h GLU 147 N 0.00 0.00 -7.02 -1.08 4.39 -1.18 -3.47 114.58 106.22 3jps h GLU 147 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 3jps h GLU 147 Cb 0.14 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3jps h GLU 147 CO 0.00 0.30 0.38 0.15 -1.16 0.00 0.00 179.01 178.68 3jps s LYS 148 N -3.05 4.07 0.63 2.33 1.02 -0.18 -5.06 119.74 119.51 3jps s LYS 148 Ca 0.03 1.36 -0.06 0.00 0.02 0.00 0.00 55.97 57.31 3jps s LYS 148 Cb 0.07 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 3jps s LYS 148 CO 0.75 -0.19 0.95 1.03 -0.92 0.00 0.00 175.35 176.96 3jps s ARG 149 N -2.88 2.71 -0.24 1.68 1.81 -1.26 -4.88 118.95 115.89 3jps s ARG 149 Ca 0.62 -0.05 -0.01 0.00 -1.72 0.00 0.00 55.73 54.57 3jps s ARG 149 Cb -0.17 -2.23 0.03 0.00 -0.45 0.00 0.00 34.95 32.13 3jps s ARG 149 CO 0.21 -0.87 -0.09 0.42 -0.68 0.00 0.00 175.30 174.29 3jps s ILE 150 N -3.09 2.66 0.52 1.52 1.01 0.18 -4.94 121.20 119.06 3jps s ILE 150 Ca 0.56 -1.08 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 3jps s ILE 150 Cb -0.11 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.97 3jps s ILE 150 CO 0.45 0.23 1.35 -2.84 0.00 0.00 0.00 174.94 174.14 3jps s PRO 151 N 1.29 3.28 0.48 2.79 0.02 -1.26 -0.73 135.00 140.87 3jps s PRO 151 Ca -0.00 2.23 0.18 0.00 0.02 0.00 0.00 61.00 63.43 3jps s PRO 151 Cb -0.16 -2.34 1.19 0.00 0.02 0.00 0.00 34.50 33.21 3jps s PRO 151 CO -0.06 -1.07 2.02 -0.09 -0.33 0.00 0.00 177.00 177.47 3jps h ARG 152 N 1.66 0.19 -0.94 5.54 2.43 -1.42 -0.20 114.38 121.64 3jps h ARG 152 Ca -0.51 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3jps h ARG 152 Cb 1.29 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.75 3jps h ARG 152 CO 0.58 0.13 0.62 0.93 -1.51 0.00 0.00 179.97 180.72 3jps h GLU 153 N 0.20 1.23 -0.10 0.20 4.39 -1.89 -0.49 114.58 118.12 3jps h GLU 153 Ca 0.21 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.69 3jps h GLU 153 Cb 0.59 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3jps h GLU 153 CO -0.04 0.81 -0.60 0.93 -1.16 0.00 0.00 179.01 178.95 3jps h GLU 154 N 1.27 0.35 -0.48 2.33 5.08 -1.41 -2.96 114.58 118.75 3jps h GLU 154 Ca 0.35 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3jps h GLU 154 Cb -0.13 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3jps h GLU 154 CO -0.08 0.85 0.16 0.52 -1.00 0.00 0.00 179.01 179.45 3jps h MET 155 N 0.26 0.70 -0.53 2.33 2.86 -0.48 -0.27 114.93 119.80 3jps h MET 155 Ca -0.01 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3jps h MET 155 Cb 1.13 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3jps h MET 155 CO 0.10 0.61 0.14 -0.07 1.06 0.00 0.00 176.91 178.74 3jps h LEU 156 N 0.69 0.80 -0.76 1.22 3.38 -1.00 0.17 115.31 119.80 3jps h LEU 156 Ca 0.16 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3jps h LEU 156 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3jps h LEU 156 CO -0.01 0.82 0.07 1.56 0.09 0.00 0.00 178.44 180.96 3jps h GLN 157 N 0.74 1.01 -0.50 1.13 4.20 -1.27 -0.52 115.11 119.90 3jps h GLN 157 Ca 0.17 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 3jps h GLN 157 Cb 0.32 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3jps h GLN 157 CO 0.00 0.95 -0.07 0.52 -0.67 0.00 0.00 178.83 179.56 3jps h MET 158 N 0.94 0.93 -0.53 1.46 2.86 -0.69 -2.06 114.93 117.84 3jps h MET 158 Ca 0.18 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3jps h MET 158 Cb 0.45 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3jps h MET 158 CO 0.02 0.99 0.27 0.37 1.06 0.00 0.00 176.91 179.62 3jps h GLN 159 N 0.79 0.76 -0.33 1.72 4.15 -0.36 -0.87 115.11 120.97 3jps h GLN 159 Ca 0.13 -0.10 0.04 0.00 0.77 0.00 0.00 58.65 59.49 3jps h GLN 159 Cb 0.61 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 3jps h GLN 159 CO 0.04 0.61 0.09 0.22 -1.93 0.00 0.00 178.83 177.86 3jps h ASP 160 N 0.71 0.06 0.17 -0.69 -0.00 -0.94 -0.36 116.42 115.38 3jps h ASP 160 Ca 0.18 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.25 3jps h ASP 160 Cb 0.09 0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.47 3jps h ASP 160 CO -0.03 0.07 -0.08 0.40 -0.00 0.00 0.00 179.24 179.61 3jps h ILE 161 N 0.22 0.90 -0.18 2.25 2.04 -1.11 -2.32 117.51 119.31 3jps h ILE 161 Ca 0.15 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3jps h ILE 161 Cb 0.15 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3jps h ILE 161 CO -0.18 0.07 0.02 0.58 0.00 0.00 0.00 178.15 178.64 3jps h VAL 162 N -0.37 0.90 -0.33 1.67 2.07 -0.90 -0.31 116.25 118.97 3jps h VAL 162 Ca -0.02 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3jps h VAL 162 Cb 0.29 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3jps h VAL 162 CO 0.04 0.01 0.10 -0.07 0.02 0.00 0.00 177.57 177.67 3jps h LEU 163 N 0.08 0.49 -0.93 2.57 4.07 -1.11 -1.36 115.31 119.12 3jps h LEU 163 Ca 0.08 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.77 3jps h LEU 163 Cb 0.09 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 3jps h LEU 163 CO -0.12 0.57 0.12 0.78 -1.08 0.00 0.00 178.44 178.71 3jps h ASN 164 N 0.38 0.85 -0.08 -0.43 2.35 -1.29 0.25 115.58 117.61 3jps h ASN 164 Ca 0.11 -0.17 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 3jps h ASN 164 Cb 0.27 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3jps h ASN 164 CO -0.00 0.84 -0.53 -0.33 -1.65 0.00 0.00 177.43 175.76 3jps h GLU 165 N 0.86 0.66 -0.54 0.81 4.39 -0.92 -1.87 114.58 117.97 3jps h GLU 165 Ca 0.18 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.39 3jps h GLU 165 Cb 0.34 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3jps h GLU 165 CO 0.00 1.03 0.02 0.28 -1.16 0.00 0.00 179.01 179.18 3jps h VAL 166 N 0.51 1.26 -0.78 3.13 2.07 -1.02 -2.68 116.25 118.74 3jps h VAL 166 Ca 0.01 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.48 3jps h VAL 166 Cb 1.09 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3jps h VAL 166 CO 0.11 0.39 0.50 0.50 0.02 0.00 0.00 177.57 179.08 3jps h LYS 167 N 0.83 0.94 -0.20 1.57 3.64 -0.71 -1.51 116.57 121.13 3jps h LYS 167 Ca 0.16 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3jps h LYS 167 Cb 0.51 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3jps h LYS 167 CO 0.02 0.62 0.08 0.87 -2.27 0.00 0.00 179.45 178.77 3jps h LYS 168 N 0.96 0.27 0.09 1.90 1.57 -1.03 -2.88 116.57 117.46 3jps h LYS 168 Ca 0.32 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3jps h LYS 168 Cb 0.03 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3jps h LYS 168 CO -0.12 0.22 -0.04 0.28 -0.57 0.00 0.00 179.45 179.22 3jps h VAL 169 N 0.27 1.14 -2.00 0.50 2.07 -1.00 -3.45 116.25 113.77 3jps h VAL 169 Ca 0.07 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.35 3jps h VAL 169 Cb 0.05 1.89 -0.23 0.00 -1.52 0.00 0.00 31.29 31.48 3jps h VAL 169 CO -0.01 0.29 -0.25 -0.62 0.02 0.00 0.00 177.57 176.99 3jps s ASP 170 N -5.62 -0.79 0.67 0.57 -1.08 -0.83 -5.02 116.67 104.57 3jps s ASP 170 Ca -0.15 1.18 0.35 0.00 -0.52 0.00 0.00 52.55 53.41 3jps s ASP 170 Cb 0.01 1.89 1.90 0.00 -1.46 0.00 0.00 42.92 45.26 3jps s ASP 170 CO 0.57 -0.24 2.07 0.77 0.52 0.00 0.00 175.17 178.87 3jps h SER 171 N 8.07 0.00 0.67 -0.34 4.64 -1.76 -1.50 113.55 123.34 3jps h SER 171 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3jps h SER 171 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3jps h SER 171 CO 0.14 0.00 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.39 3jps n GLU 172 N -2.96 0.27 -2.39 4.77 1.02 -1.26 -4.86 120.64 115.23 3jps n GLU 172 Ca -0.02 -0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.71 3jps n GLU 172 Cb 0.28 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 3jps n GLU 172 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3jps s TYR 173 N -2.77 2.86 -0.14 -0.32 2.02 -0.56 -4.39 117.35 114.05 3jps s TYR 173 Ca 0.21 1.56 -0.01 0.00 -0.37 0.00 0.00 57.07 58.46 3jps s TYR 173 Cb 0.19 -3.20 0.04 0.00 -0.40 0.00 0.00 41.96 38.59 3jps s TYR 173 CO 0.52 -1.21 -0.01 0.42 -1.57 0.00 0.00 175.55 173.70 3jps s ILE 174 N -1.82 0.71 -0.15 2.71 1.01 -0.72 -4.90 121.20 118.05 3jps s ILE 174 Ca 0.69 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 3jps s ILE 174 Cb -0.21 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3jps s ILE 174 CO 0.25 0.09 -0.03 0.00 0.00 0.00 0.00 174.94 175.24 3jps s ALA 175 N 1.81 3.03 -0.10 9.38 0.00 -1.26 -1.89 121.76 132.73 3jps s ALA 175 Ca 0.02 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3jps s ALA 175 Cb -0.15 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.44 3jps s ALA 175 CO -0.07 0.26 -0.14 0.99 0.00 0.00 0.00 175.76 176.80 3jps s THR 176 N 0.21 1.41 -0.15 0.00 2.01 0.32 -4.95 115.64 114.49 3jps s THR 176 Ca -0.02 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.13 3jps s THR 176 Cb -0.14 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 3jps s THR 176 CO 0.03 0.42 0.89 -0.69 -0.69 0.00 0.00 174.62 174.58 3jps s VAL 177 N 1.02 4.84 0.00 3.82 1.01 -1.26 -0.12 120.40 129.72 3jps s VAL 177 Ca -0.06 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3jps s VAL 177 Cb -0.15 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3jps s VAL 177 CO -0.02 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.10 3jps n GLY 179 N 5.00 0.96 0.29 0.00 0.00 0.63 -2.59 105.19 109.48 3jps n GLY 179 Ca 0.00 -0.78 0.16 0.00 0.00 0.00 0.00 46.02 45.40 3jps n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jps h SER 180 N 1.82 0.00 -0.20 1.61 4.64 -1.88 -2.59 113.55 116.95 3jps h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jps h SER 180 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3jps h SER 180 CO 0.00 0.05 0.13 0.15 -0.87 0.00 0.00 176.83 176.28 3jps h PHE 181 N 0.00 0.25 0.00 4.77 3.57 -1.83 -0.74 116.94 122.96 3jps h PHE 181 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3jps h PHE 181 Cb 0.18 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3jps h PHE 181 CO 0.00 0.16 -0.21 -0.09 -2.23 0.00 0.00 178.31 175.94 3jps h ARG 182 N 0.26 0.00 -0.02 1.11 2.43 -1.20 -0.85 114.38 116.11 3jps h ARG 182 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3jps h ARG 182 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3jps h ARG 182 CO -0.02 0.21 0.00 0.54 -1.51 0.00 0.00 179.97 179.20 3jps n ARG 183 N -3.63 1.08 -1.02 0.20 1.74 -0.69 -4.53 116.66 109.81 3jps n ARG 183 Ca -0.01 -0.12 -0.01 0.00 -0.77 0.00 0.00 57.85 56.94 3jps n ARG 183 Cb 0.34 -1.29 -0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3jps n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jps n GLY 184 N 0.81 0.48 3.75 -0.13 0.00 -0.32 -3.89 105.19 105.89 3jps n GLY 184 Ca 0.14 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3jps n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jps s ALA 185 N -2.00 2.80 -1.18 4.61 0.00 -0.37 -4.89 121.76 120.73 3jps s ALA 185 Ca 0.00 1.34 0.28 0.00 0.00 0.00 0.00 51.96 53.58 3jps s ALA 185 Cb 0.00 -3.57 1.30 0.00 0.00 0.00 0.00 23.12 20.85 3jps s ALA 185 CO 0.00 -1.40 1.94 0.39 0.00 0.00 0.00 175.76 176.69 3jps n GLU 186 N -1.08 0.17 -3.54 0.00 -0.58 -1.26 -4.77 120.64 109.58 3jps n GLU 186 Ca 0.11 0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.72 3jps n GLU 186 Cb 0.45 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.77 3jps n GLU 186 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3jps s SER 187 N -2.82 -0.50 0.07 1.62 1.04 -1.26 -1.11 113.70 110.74 3jps s SER 187 Ca 0.19 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.88 3jps s SER 187 Cb 0.19 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 3jps s SER 187 CO 0.48 -0.74 -0.06 -0.44 0.98 0.00 0.00 173.24 173.46 3jps s SER 188 N -1.94 0.89 0.31 7.02 0.01 0.09 -4.88 113.70 115.19 3jps s SER 188 Ca -0.05 -0.79 0.24 0.00 1.31 0.00 0.00 55.95 56.65 3jps s SER 188 Cb -0.01 0.08 0.37 0.00 0.21 0.00 0.00 66.02 66.68 3jps s SER 188 CO -0.01 -0.37 1.50 1.23 0.41 0.00 0.00 173.24 176.00 3jps h GLY 189 N 3.70 0.00 -0.83 3.44 0.00 -1.89 0.51 103.07 108.00 3jps h GLY 189 Ca -0.35 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.07 3jps h GLY 189 CO 0.54 0.00 0.34 2.09 0.00 0.00 0.00 176.54 179.51 3jps n ASP 190 N -2.73 -1.08 -4.25 0.19 5.75 -1.26 -4.69 116.55 108.49 3jps n ASP 190 Ca 0.03 -1.58 -0.33 0.00 -0.01 0.00 0.00 54.79 52.91 3jps n ASP 190 Cb 0.50 1.75 -0.16 0.00 -1.03 0.00 0.00 41.12 42.19 3jps n ASP 190 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3jps s MET 191 N -2.03 3.16 -0.20 0.11 -2.45 -0.76 -4.93 119.30 112.20 3jps s MET 191 Ca 0.14 -0.79 -0.02 0.00 -1.25 0.00 0.00 55.69 53.76 3jps s MET 191 Cb -0.02 -2.51 -0.00 0.00 1.25 0.00 0.00 34.83 33.55 3jps s MET 191 CO 0.04 0.07 -0.10 -0.51 1.05 0.00 0.00 175.02 175.57 3jps s ASP 192 N 0.64 3.95 -0.19 1.11 1.01 -1.26 -1.51 116.67 120.42 3jps s ASP 192 Ca -0.10 -0.46 -0.01 0.00 0.71 0.00 0.00 52.55 52.70 3jps s ASP 192 Cb -0.16 -1.65 0.01 0.00 1.01 0.00 0.00 42.92 42.13 3jps s ASP 192 CO 0.02 0.01 -0.15 -0.69 0.21 0.00 0.00 175.17 174.57 3jps s VAL 193 N 1.30 2.48 -0.08 -1.27 1.01 0.01 -0.33 120.40 123.54 3jps s VAL 193 Ca 0.04 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 3jps s VAL 193 Cb -0.14 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3jps s VAL 193 CO -0.05 0.49 0.46 -0.22 0.00 0.00 0.00 175.10 175.79 3jps s LEU 194 N 1.35 4.34 -0.00 3.92 2.96 0.83 -1.06 118.68 131.02 3jps s LEU 194 Ca 0.05 0.88 0.06 0.00 -0.22 0.00 0.00 54.13 54.90 3jps s LEU 194 Cb -0.14 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 3jps s LEU 194 CO -0.10 0.10 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.63 3jps s LEU 195 N 0.09 2.06 0.06 -0.68 2.96 0.49 -0.52 118.68 123.14 3jps s LEU 195 Ca 0.25 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3jps s LEU 195 Cb -0.16 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 3jps s LEU 195 CO 0.12 0.21 -0.05 0.42 -1.32 0.00 0.00 176.35 175.73 3jps s THR 196 N -0.51 0.37 -0.14 3.68 -4.23 -0.79 -1.12 115.64 112.90 3jps s THR 196 Ca 0.07 -1.57 -0.12 0.00 -1.18 0.00 0.00 61.69 58.88 3jps s THR 196 Cb -0.07 -1.20 0.04 0.00 1.34 0.00 0.00 72.50 72.61 3jps s THR 196 CO -0.00 -0.79 0.37 -2.28 -0.54 0.00 0.00 174.62 171.38 3jps s HIS 197 N -3.03 -0.42 0.57 3.99 2.46 -1.26 -1.76 115.29 115.84 3jps s HIS 197 Ca 0.02 1.02 0.25 0.00 0.47 0.00 0.00 55.06 56.82 3jps s HIS 197 Cb 0.01 0.15 1.59 0.00 -0.13 0.00 0.00 32.58 34.20 3jps s HIS 197 CO -0.05 -0.21 2.16 -1.00 -2.47 0.00 0.00 174.74 173.16 3jps h PRO 198 N 5.73 0.00 0.00 2.88 0.13 -1.99 -1.95 132.00 136.80 3jps h PRO 198 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3jps h PRO 198 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3jps h PRO 198 CO 0.28 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.92 3jps n SER 199 N -4.06 0.28 -4.05 1.44 3.41 -1.26 -4.49 113.62 104.88 3jps n SER 199 Ca -0.00 0.56 -0.32 0.00 -0.26 0.00 0.00 58.87 58.85 3jps n SER 199 Cb 0.21 -0.62 -0.15 0.00 -0.26 0.00 0.00 64.21 63.39 3jps n SER 199 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3jps s PHE 200 N -3.11 3.53 0.42 7.33 5.36 -0.73 -0.60 117.98 130.17 3jps s PHE 200 Ca 0.07 -2.64 0.03 0.00 -0.96 0.00 0.00 56.93 53.43 3jps s PHE 200 Cb 0.11 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 3jps s PHE 200 CO 0.36 -0.91 0.10 0.95 -1.46 0.00 0.00 175.22 174.26 3jps s THR 201 N 1.01 0.75 -0.89 0.12 -4.23 -0.52 -1.18 115.64 110.70 3jps s THR 201 Ca 0.02 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.70 3jps s THR 201 Cb -0.20 -2.36 0.16 0.00 1.34 0.00 0.00 72.50 71.44 3jps s THR 201 CO -0.06 0.00 1.55 -1.54 -0.54 0.00 0.00 174.62 174.03 3jps n SER 202 N -1.25 0.15 0.01 3.99 3.41 -1.26 -2.67 113.62 116.00 3jps n SER 202 Ca -0.08 0.53 -0.16 0.00 -0.26 0.00 0.00 58.87 58.91 3jps n SER 202 Cb 0.65 -0.57 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 3jps n SER 202 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3jps h GLU 203 N 0.00 0.18 -1.99 4.33 4.57 -1.99 -3.49 114.58 116.18 3jps h GLU 203 Ca 0.00 -0.30 0.16 0.00 -1.18 0.00 0.00 59.36 58.04 3jps h GLU 203 Cb 0.30 0.11 -0.16 0.00 -0.16 0.00 0.00 28.75 28.84 3jps h GLU 203 CO 0.00 0.96 0.61 -1.54 -1.18 0.00 0.00 179.01 177.86 3jps s SER 204 N -6.72 -0.28 -0.48 1.04 1.04 -1.09 -5.10 113.70 102.12 3jps s SER 204 Ca -0.13 -0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 3jps s SER 204 Cb 0.07 0.30 0.13 0.00 0.10 0.00 0.00 66.02 66.62 3jps s SER 204 CO 0.81 -0.48 0.26 -0.89 0.98 0.00 0.00 173.24 173.91 3jps s THR 205 N -2.87 3.16 -0.89 2.02 2.01 -1.26 -1.44 115.64 116.37 3jps s THR 205 Ca 0.07 -2.55 0.28 0.00 0.31 0.00 0.00 61.69 59.79 3jps s THR 205 Cb -0.01 -3.15 0.24 0.00 0.01 0.00 0.00 72.50 69.58 3jps s THR 205 CO -0.07 -0.75 1.82 0.29 -0.69 0.00 0.00 174.62 175.22 3jps n LYS 206 N 4.00 0.10 -3.76 4.92 5.02 0.23 -4.79 118.16 123.89 3jps n LYS 206 Ca 0.03 0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 3jps n LYS 206 Cb 0.39 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.63 3jps n LYS 206 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3jps s GLN 207 N -3.04 0.02 0.70 1.97 -0.21 -1.26 -5.08 119.66 112.76 3jps s GLN 207 Ca 0.12 0.27 -0.08 0.00 0.02 0.00 0.00 55.36 55.69 3jps s GLN 207 Cb 0.16 -0.21 0.05 0.00 1.00 0.00 0.00 33.01 34.01 3jps s GLN 207 CO 0.57 -0.17 1.04 -1.25 -2.12 0.00 0.00 175.29 173.36 3jps s PRO 208 N 1.11 2.39 -1.09 2.91 0.04 -1.26 -4.25 135.00 134.84 3jps s PRO 208 Ca -0.09 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 60.92 3jps s PRO 208 Cb -0.12 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3jps s PRO 208 CO -0.04 -1.18 0.00 1.63 0.04 0.00 0.00 177.00 177.45 3jps n LYS 209 N -2.95 -2.19 -0.22 4.56 5.02 -1.26 -4.86 118.16 116.26 3jps n LYS 209 Ca 0.07 0.62 -0.04 0.00 -2.02 0.00 0.00 58.31 56.94 3jps n LYS 209 Cb 0.60 -5.22 0.07 0.00 -0.02 0.00 0.00 35.03 30.45 3jps n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3jps h LEU 210 N 0.00 0.61 -0.02 -0.35 3.38 -1.91 -0.23 115.31 116.80 3jps h LEU 210 Ca -0.30 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.48 3jps h LEU 210 Cb 1.22 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.86 3jps h LEU 210 CO 0.36 0.42 -0.75 0.25 0.09 0.00 0.00 178.44 178.81 3jps h LEU 211 N 0.74 0.69 -0.46 1.67 5.85 -1.89 -3.31 115.31 118.60 3jps h LEU 211 Ca 0.26 -0.73 0.09 0.00 0.84 0.00 0.00 57.88 58.33 3jps h LEU 211 Cb 0.05 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.79 3jps h LEU 211 CO -0.11 1.33 0.00 -0.74 -0.34 0.00 0.00 178.44 178.58 3jps h HIS 212 N 0.12 -0.03 -0.62 1.25 2.76 -1.81 -1.17 115.15 115.65 3jps h HIS 212 Ca -0.09 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.22 3jps h HIS 212 Cb 1.43 0.08 -0.08 0.00 1.55 0.00 0.00 27.41 30.40 3jps h HIS 212 CO 0.13 -0.10 0.21 1.96 -1.30 0.00 0.00 177.93 178.83 3jps h GLN 213 N 0.11 0.37 -0.12 5.26 4.20 -1.13 0.24 115.11 124.04 3jps h GLN 213 Ca 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3jps h GLN 213 Cb 0.34 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3jps h GLN 213 CO -0.38 0.24 0.02 0.28 -0.67 0.00 0.00 178.83 178.32 3jps h VAL 214 N 0.38 1.22 -0.59 -0.54 2.07 -1.48 -1.21 116.25 116.09 3jps h VAL 214 Ca 0.32 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3jps h VAL 214 Cb 0.42 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3jps h VAL 214 CO -0.34 0.20 0.33 0.58 0.02 0.00 0.00 177.57 178.37 3jps h VAL 215 N -0.04 1.00 -0.42 2.57 2.07 -0.62 -1.21 116.25 119.60 3jps h VAL 215 Ca 0.03 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3jps h VAL 215 Cb 0.30 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3jps h VAL 215 CO 0.00 0.12 0.23 -0.08 0.02 0.00 0.00 177.57 177.86 3jps h GLU 216 N 0.64 0.45 -0.54 1.57 4.81 -0.40 -1.57 114.58 119.54 3jps h GLU 216 Ca 0.25 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3jps h GLU 216 Cb 0.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3jps h GLU 216 CO -0.15 0.30 0.11 0.37 -0.73 0.00 0.00 179.01 178.91 3jps h GLN 217 N 0.46 0.83 0.00 1.92 5.75 -0.74 -0.36 115.11 122.98 3jps h GLN 217 Ca 0.17 -0.18 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 3jps h GLN 217 Cb 0.05 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3jps h GLN 217 CO -0.10 0.76 -0.57 -0.07 -2.65 0.00 0.00 178.83 176.20 3jps h LEU 218 N 0.80 0.00 -0.05 -2.39 3.38 -0.80 -2.66 115.31 113.59 3jps h LEU 218 Ca 0.17 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.89 3jps h LEU 218 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.08 3jps h LEU 218 CO 0.00 0.57 -1.04 1.56 0.09 0.00 0.00 178.44 179.63 3jps h GLN 219 N 0.00 0.55 -0.92 1.13 4.20 -1.03 0.19 115.11 119.23 3jps h GLN 219 Ca -0.01 -0.62 0.11 0.00 0.06 0.00 0.00 58.65 58.19 3jps h GLN 219 Cb 1.08 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.97 3jps h GLN 219 CO 0.07 1.24 0.56 -0.22 -0.67 0.00 0.00 178.83 179.81 3jps h LYS 220 N 0.30 0.88 -0.52 1.46 3.64 -0.84 0.30 116.57 121.80 3jps h LYS 220 Ca -0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3jps h LYS 220 Cb 1.69 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3jps h LYS 220 CO 0.19 0.58 0.00 1.33 -2.27 0.00 0.00 179.45 179.29 3jps n VAL 221 N -4.67 0.85 -1.91 2.00 0.24 -1.02 -4.92 118.33 108.89 3jps n VAL 221 Ca 0.16 -0.64 -0.17 0.00 -2.04 0.00 0.00 64.34 61.66 3jps n VAL 221 Cb 0.32 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.76 3jps n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3jps n HIS 222 N 0.66 -0.41 -0.07 6.34 8.25 0.10 -4.91 115.22 125.17 3jps n HIS 222 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.49 3jps n HIS 222 Cb 0.48 -3.12 -0.09 0.00 1.12 0.00 0.00 29.99 28.38 3jps n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3jps h PHE 223 N 0.00 0.00 -3.32 4.41 3.57 -0.86 -3.43 116.94 117.31 3jps h PHE 223 Ca -0.37 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.57 3jps h PHE 223 Cb 1.19 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 3jps h PHE 223 CO 0.45 0.78 0.36 0.42 -2.23 0.00 0.00 178.31 178.10 3jps s ILE 224 N -2.10 4.89 -0.07 1.41 1.01 -0.71 -0.72 121.20 124.90 3jps s ILE 224 Ca -0.17 1.72 0.09 0.00 0.00 0.00 0.00 60.65 62.30 3jps s ILE 224 Cb 0.00 -4.17 -0.13 0.00 0.01 0.00 0.00 42.46 38.17 3jps s ILE 224 CO 0.46 0.08 0.09 0.35 0.00 0.00 0.00 174.94 175.92 3jps n THR 225 N 4.42 0.48 -3.90 2.92 -2.24 0.22 -4.33 114.28 111.85 3jps n THR 225 Ca 0.04 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 3jps n THR 225 Cb 0.49 -0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 68.19 3jps n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3jps s ASP 226 N -3.91 0.18 -0.11 3.42 1.11 -1.19 -4.99 116.67 111.18 3jps s ASP 226 Ca -0.05 -0.66 0.02 0.00 0.18 0.00 0.00 52.55 52.05 3jps s ASP 226 Cb 0.04 0.30 0.01 0.00 1.07 0.00 0.00 42.92 44.34 3jps s ASP 226 CO 0.41 -0.66 -0.18 -0.89 1.18 0.00 0.00 175.17 175.03 3jps s THR 227 N -3.56 1.71 -0.13 -1.27 2.01 -1.26 -0.93 115.64 112.20 3jps s THR 227 Ca 0.03 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 3jps s THR 227 Cb 0.04 -1.53 -0.25 0.00 0.01 0.00 0.00 72.50 70.77 3jps s THR 227 CO -0.09 0.48 0.41 -0.07 -0.69 0.00 0.00 174.62 174.66 3jps h LEU 228 N 7.24 0.34 -7.00 4.42 3.38 -0.24 -3.46 115.31 119.99 3jps h LEU 228 Ca -0.30 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 56.83 3jps h LEU 228 Cb 1.19 -0.11 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 3jps h LEU 228 CO 0.50 1.72 0.30 -0.94 0.09 0.00 0.00 178.44 180.11 3jps s SER 229 N -7.03 -0.56 -0.19 -0.43 1.04 -0.75 -4.35 113.70 101.43 3jps s SER 229 Ca -0.22 0.48 -0.09 0.00 0.48 0.00 0.00 55.95 56.59 3jps s SER 229 Cb 0.06 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.73 3jps s SER 229 CO 0.74 -0.60 0.45 -0.75 0.98 0.00 0.00 173.24 174.05 3jps s LYS 230 N -1.72 0.41 0.00 4.02 2.20 -1.26 -1.33 119.74 122.06 3jps s LYS 230 Ca -0.06 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 3jps s LYS 230 Cb -0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 3jps s LYS 230 CO 0.03 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 3jps n GLY 231 N 4.66 4.29 0.20 5.54 0.00 -0.41 -5.02 105.19 114.46 3jps n GLY 231 Ca -0.18 -1.96 0.06 0.00 0.00 0.00 0.00 46.02 43.94 3jps n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jps h GLU 232 N 0.00 0.00 0.00 1.61 5.08 -2.01 -3.34 114.58 115.92 3jps h GLU 232 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jps h GLU 232 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3jps h GLU 232 CO 0.00 0.35 0.00 0.25 -1.00 0.00 0.00 179.01 178.61 3jps n THR 233 N -3.59 0.00 -3.87 1.13 -2.24 -1.26 -4.50 114.28 99.95 3jps n THR 233 Ca -0.01 -0.44 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 3jps n THR 233 Cb 0.47 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 3jps n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3jps s LYS 234 N -0.87 0.44 -0.10 -0.78 2.20 -1.25 -0.21 119.74 119.17 3jps s LYS 234 Ca 0.00 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 3jps s LYS 234 Cb 0.00 -0.72 -0.02 0.00 -1.51 0.00 0.00 37.83 35.58 3jps s LYS 234 CO 0.00 -0.22 -0.12 0.12 -0.36 0.00 0.00 175.35 174.77 3jps s PHE 235 N 1.52 2.80 -0.16 4.03 5.36 0.52 -1.28 117.98 130.77 3jps s PHE 235 Ca -0.02 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 55.56 3jps s PHE 235 Cb -0.13 -1.76 0.05 0.00 -0.34 0.00 0.00 43.02 40.83 3jps s PHE 235 CO -0.03 0.00 -0.01 -1.64 -1.46 0.00 0.00 175.22 172.08 3jps s MET 236 N -0.15 1.03 0.00 10.12 -1.94 -0.44 -0.64 119.30 127.27 3jps s MET 236 Ca -0.00 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 3jps s MET 236 Cb -0.13 -1.87 0.00 0.00 2.01 0.00 0.00 34.83 34.83 3jps s MET 236 CO 0.03 -0.48 0.00 0.41 -0.01 0.00 0.00 175.02 174.97 3jps n GLY 237 N 4.97 4.20 3.07 -0.03 0.00 0.87 0.53 105.19 118.80 3jps n GLY 237 Ca -0.10 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 3jps n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jps s VAL 238 N -0.07 0.79 0.18 1.61 1.01 -0.11 -1.23 120.40 122.58 3jps s VAL 238 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3jps s VAL 238 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3jps s VAL 238 CO 0.00 0.01 0.11 0.00 0.00 0.00 0.00 175.10 175.22 3jps s GLN 240 N -4.12 0.55 0.49 0.00 0.74 0.10 0.11 119.66 117.54 3jps s GLN 240 Ca 0.34 0.98 -0.22 0.00 0.05 0.00 0.00 55.36 56.51 3jps s GLN 240 Cb 0.07 0.08 -0.07 0.00 1.10 0.00 0.00 33.01 34.19 3jps s GLN 240 CO 0.09 -0.15 1.15 -0.51 -0.55 0.00 0.00 175.29 175.32 3jps s LEU 241 N 1.40 3.91 0.38 3.68 1.43 -1.26 -4.61 118.68 123.61 3jps s LEU 241 Ca -0.09 2.26 -0.24 0.00 -1.03 0.00 0.00 54.13 55.03 3jps s LEU 241 Cb -0.07 -4.37 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3jps s LEU 241 CO -0.15 -1.04 0.97 -2.16 0.23 0.00 0.00 176.35 174.20 3jps s PRO 242 N -2.92 4.36 0.39 1.29 0.04 -1.26 -4.48 135.00 132.42 3jps s PRO 242 Ca 0.67 1.28 0.08 0.00 0.04 0.00 0.00 61.00 63.07 3jps s PRO 242 Cb -0.27 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 3jps s PRO 242 CO 0.32 0.07 0.38 -1.54 0.04 0.00 0.00 177.00 176.27 3jps s SER 243 N -1.84 5.20 0.61 6.66 1.04 -1.26 -4.93 113.70 119.18 3jps s SER 243 Ca 0.56 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3jps s SER 243 Cb -0.15 -0.70 0.06 0.00 0.10 0.00 0.00 66.02 65.33 3jps s SER 243 CO 0.20 -0.58 0.85 -0.54 0.98 0.00 0.00 173.24 174.15 3jps s LYS 244 N -4.12 2.29 0.30 4.02 1.02 -1.26 -5.00 119.74 116.98 3jps s LYS 244 Ca 0.47 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 3jps s LYS 244 Cb -0.05 -2.42 -0.13 0.00 -0.52 0.00 0.00 37.83 34.72 3jps s LYS 244 CO 0.28 -0.95 1.32 0.09 -0.92 0.00 0.00 175.35 175.17 3jps n ASN 245 N -2.52 2.69 0.00 2.83 3.02 -1.26 -1.98 115.26 118.04 3jps n ASN 245 Ca 0.10 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.83 3jps n ASN 245 Cb 0.60 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3jps n ASN 245 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3jps n ASP 246 N 1.35 0.00 -4.85 6.41 10.43 -1.26 -4.97 116.55 123.66 3jps n ASP 246 Ca 0.08 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.09 3jps n ASP 246 Cb 0.34 -1.12 -0.06 0.00 1.84 0.00 0.00 41.12 42.12 3jps n ASP 246 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3jps s GLU 247 N -0.04 3.95 0.28 -1.24 -1.05 -0.84 -5.02 118.70 114.74 3jps s GLU 247 Ca 0.00 0.47 -0.30 0.00 -0.15 0.00 0.00 54.97 54.98 3jps s GLU 247 Cb 0.00 -2.85 -0.12 0.00 -0.44 0.00 0.00 34.13 30.72 3jps s GLU 247 CO 0.00 0.43 1.53 1.17 0.95 0.00 0.00 175.26 179.34 3jps n LYS 248 N 0.56 2.50 -2.04 -4.83 4.81 -1.26 -4.67 118.16 113.23 3jps n LYS 248 Ca -0.04 0.89 -0.32 0.00 -0.87 0.00 0.00 58.31 57.97 3jps n LYS 248 Cb 0.52 -2.63 0.01 0.00 0.02 0.00 0.00 35.03 32.95 3jps n LYS 248 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3jps s GLU 249 N -0.57 3.40 0.81 1.64 -1.05 -1.26 -4.89 118.70 116.78 3jps s GLU 249 Ca 0.65 1.10 -0.10 0.00 -0.15 0.00 0.00 54.97 56.46 3jps s GLU 249 Cb -0.54 -2.05 0.08 0.00 -0.44 0.00 0.00 34.13 31.18 3jps s GLU 249 CO 0.50 -0.74 1.10 0.71 0.95 0.00 0.00 175.26 177.78 3jps s TYR 250 N -2.60 2.35 0.58 4.83 2.02 -1.26 -5.00 117.35 118.26 3jps s TYR 250 Ca 0.62 1.58 -0.17 0.00 -0.37 0.00 0.00 57.07 58.72 3jps s TYR 250 Cb -0.14 -3.12 -0.04 0.00 -0.40 0.00 0.00 41.96 38.26 3jps s TYR 250 CO 0.39 -2.07 1.09 -2.14 -1.57 0.00 0.00 175.55 171.25 3jps s PRO 251 N -4.85 3.28 0.42 -1.71 0.02 -1.26 -4.89 135.00 126.01 3jps s PRO 251 Ca 0.62 1.41 -0.23 0.00 0.02 0.00 0.00 61.00 62.82 3jps s PRO 251 Cb -0.18 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 3jps s PRO 251 CO 0.57 -0.87 1.03 -1.01 -0.33 0.00 0.00 177.00 176.38 3jps s HIS 252 N -2.13 3.22 0.12 6.54 3.76 -1.26 -4.68 115.29 120.86 3jps s HIS 252 Ca 0.68 1.63 0.08 0.00 -0.15 0.00 0.00 55.06 57.30 3jps s HIS 252 Cb -0.20 -3.06 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 3jps s HIS 252 CO 0.32 -0.57 -0.19 1.03 -0.85 0.00 0.00 174.74 174.49 3jps s ARG 253 N -2.75 1.12 0.15 1.40 1.81 0.12 -4.40 118.95 116.40 3jps s ARG 253 Ca 0.60 -1.22 -0.30 0.00 -1.72 0.00 0.00 55.73 53.10 3jps s ARG 253 Cb -0.19 -1.26 -0.07 0.00 -0.45 0.00 0.00 34.95 32.99 3jps s ARG 253 CO 0.23 0.28 0.99 1.03 -0.68 0.00 0.00 175.30 177.15 3jps s ARG 254 N -2.22 4.70 -0.02 3.54 1.81 -1.26 -0.30 118.95 125.19 3jps s ARG 254 Ca 0.08 1.52 0.01 0.00 -1.72 0.00 0.00 55.73 55.63 3jps s ARG 254 Cb -0.08 -3.33 0.01 0.00 -0.45 0.00 0.00 34.95 31.10 3jps s ARG 254 CO 0.05 0.24 -0.03 -1.50 -0.68 0.00 0.00 175.30 173.37 3jps s ILE 255 N -0.28 0.31 -0.03 1.52 2.07 -0.36 -1.83 121.20 122.60 3jps s ILE 255 Ca 0.46 -0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.69 3jps s ILE 255 Cb -0.25 -0.33 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 3jps s ILE 255 CO 0.31 0.13 -0.23 -1.81 -1.91 0.00 0.00 174.94 171.44 3jps s ASP 256 N 0.47 2.76 -0.09 4.50 1.01 -0.57 -0.09 116.67 124.66 3jps s ASP 256 Ca -0.05 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.78 3jps s ASP 256 Cb -0.08 -0.50 0.02 0.00 1.01 0.00 0.00 42.92 43.37 3jps s ASP 256 CO -0.01 0.26 -0.08 -0.63 0.21 0.00 0.00 175.17 174.92 3jps s ILE 257 N -0.36 0.97 -0.21 0.77 1.01 0.18 -0.81 121.20 122.75 3jps s ILE 257 Ca 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3jps s ILE 257 Cb -0.11 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.43 3jps s ILE 257 CO 0.01 0.34 -0.15 -0.60 0.00 0.00 0.00 174.94 174.54 3jps s ARG 258 N 1.35 2.86 -0.29 2.79 6.06 -0.23 -0.35 118.95 131.14 3jps s ARG 258 Ca -0.02 -0.93 -0.21 0.00 -2.50 0.00 0.00 55.73 52.06 3jps s ARG 258 Cb -0.14 -2.73 -0.01 0.00 0.06 0.00 0.00 34.95 32.14 3jps s ARG 258 CO -0.04 -0.30 0.68 -1.17 -2.50 0.00 0.00 175.30 171.97 3jps s LEU 259 N 1.28 4.11 0.08 -0.88 2.96 0.71 -0.38 118.68 126.55 3jps s LEU 259 Ca 0.02 0.58 0.10 0.00 -0.22 0.00 0.00 54.13 54.61 3jps s LEU 259 Cb -0.15 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 3jps s LEU 259 CO -0.09 -0.50 -0.26 -0.63 -1.32 0.00 0.00 176.35 173.55 3jps s ILE 260 N 2.69 2.12 0.07 6.68 1.01 -0.27 -4.80 121.20 128.70 3jps s ILE 260 Ca 0.28 -1.51 -0.35 0.00 0.00 0.00 0.00 60.65 59.07 3jps s ILE 260 Cb -0.15 -1.84 -0.14 0.00 0.01 0.00 0.00 42.46 40.34 3jps s ILE 260 CO 0.11 0.23 1.60 -2.65 0.00 0.00 0.00 174.94 174.23 3jps n PRO 261 N 1.44 1.88 -0.32 2.79 -0.02 -1.26 -4.53 135.00 134.98 3jps n PRO 261 Ca -0.17 0.68 0.17 0.00 -2.02 0.00 0.00 63.50 62.16 3jps n PRO 261 Cb 0.52 -2.43 0.37 0.00 -0.02 0.00 0.00 33.50 31.94 3jps n PRO 261 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3jps h LYS 262 N 6.37 0.42 0.00 -0.52 1.63 -1.35 0.32 116.57 123.44 3jps h LYS 262 Ca -0.46 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3jps h LYS 262 Cb 1.28 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3jps h LYS 262 CO 0.88 0.28 0.00 -0.40 -3.45 0.00 0.00 179.45 176.76 3jps n ASP 263 N -5.01 0.00 -0.59 4.20 5.75 -1.26 -2.88 116.55 116.76 3jps n ASP 263 Ca 0.26 -0.30 0.05 0.00 -0.01 0.00 0.00 54.79 54.79 3jps n ASP 263 Cb 0.76 -0.18 0.20 0.00 -1.03 0.00 0.00 41.12 40.86 3jps n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jps n GLN 264 N -1.18 1.62 -0.10 0.11 6.02 0.11 -4.81 117.38 119.15 3jps n GLN 264 Ca 0.13 -3.12 -0.06 0.00 -0.01 0.00 0.00 57.00 53.95 3jps n GLN 264 Cb 0.14 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 29.78 3jps n GLN 264 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3jps h TYR 265 N 0.82 0.09 -0.76 1.08 3.20 -1.48 -2.12 116.97 117.80 3jps h TYR 265 Ca 0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3jps h TYR 265 Cb 1.12 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 3jps h TYR 265 CO 0.63 0.00 0.47 1.88 -1.64 0.00 0.00 178.16 179.51 3jps h TYR 266 N 0.17 0.99 -0.18 -3.82 0.05 -1.88 0.39 116.97 112.68 3jps h TYR 266 Ca 0.16 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.84 3jps h TYR 266 Cb 0.19 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3jps h TYR 266 CO -0.19 0.66 -0.37 0.00 -1.05 0.00 0.00 178.16 177.21 3jps h GLY 268 N 1.12 0.60 2.00 0.00 0.00 -0.62 -1.96 103.07 104.21 3jps h GLY 268 Ca 0.04 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 3jps h GLY 268 CO 0.06 0.51 -0.51 -0.24 0.00 0.00 0.00 176.54 176.37 3jps h VAL 269 N 0.26 1.18 -0.05 4.60 3.04 -0.22 -0.54 116.25 124.53 3jps h VAL 269 Ca 0.05 -1.86 -0.01 0.00 -1.01 0.00 0.00 66.70 63.87 3jps h VAL 269 Cb 0.69 2.06 -0.00 0.00 -2.01 0.00 0.00 31.29 32.03 3jps h VAL 269 CO 0.05 0.50 0.00 0.25 -1.01 0.00 0.00 177.57 177.36 3jps h LEU 270 N 0.00 0.08 0.39 3.16 5.85 -1.29 -1.43 115.31 122.06 3jps h LEU 270 Ca -0.01 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3jps h LEU 270 Cb 1.02 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3jps h LEU 270 CO 0.07 0.35 -0.21 0.22 -0.34 0.00 0.00 178.44 178.53 3jps h TYR 271 N -0.20 -0.53 0.00 1.25 3.20 -1.18 -2.88 116.97 116.63 3jps h TYR 271 Ca 0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3jps h TYR 271 Cb 0.31 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3jps h TYR 271 CO 0.03 -0.33 0.00 0.34 -1.64 0.00 0.00 178.16 176.56 3jps n PHE 272 N -5.34 0.49 0.03 -3.82 7.35 -0.23 -2.44 117.46 113.50 3jps n PHE 272 Ca -0.11 0.19 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 3jps n PHE 272 Cb 0.24 -0.81 -0.13 0.00 0.35 0.00 0.00 39.48 39.13 3jps n PHE 272 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3jps h THR 273 N 0.00 1.18 0.00 -2.13 2.02 -1.16 0.18 112.91 113.00 3jps h THR 273 Ca 0.00 -2.93 0.00 0.00 0.77 0.00 0.00 66.41 64.25 3jps h THR 273 Cb 0.33 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 3jps h THR 273 CO 0.00 0.74 0.00 0.61 0.37 0.00 0.00 175.52 177.24 3jps n GLY 274 N 1.55 1.59 2.96 2.16 0.00 -1.02 -4.20 105.19 108.22 3jps n GLY 274 Ca -0.12 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 3jps n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jps n SER 275 N -1.82 -3.14 -0.14 1.61 3.41 -0.36 -4.77 113.62 108.41 3jps n SER 275 Ca 0.00 -0.91 -0.11 0.00 -0.26 0.00 0.00 58.87 57.58 3jps n SER 275 Cb 0.00 -0.89 -0.02 0.00 -0.26 0.00 0.00 64.21 63.04 3jps n SER 275 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3jps h ASP 276 N -3.09 0.83 0.21 4.04 2.03 -1.90 0.26 116.42 118.81 3jps h ASP 276 Ca -0.36 -0.38 -0.13 0.00 -0.73 0.00 0.00 57.03 55.43 3jps h ASP 276 Cb 1.16 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.42 3jps h ASP 276 CO 0.22 1.02 -0.49 0.40 -1.03 0.00 0.00 179.24 179.37 3jps h ILE 277 N 0.63 1.34 -0.64 4.15 2.04 -1.94 -1.24 117.51 121.85 3jps h ILE 277 Ca 0.10 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.20 3jps h ILE 277 Cb 0.68 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3jps h ILE 277 CO 0.05 0.52 0.22 0.15 0.00 0.00 0.00 178.15 179.09 3jps h PHE 278 N 0.26 1.00 -0.69 1.37 3.04 -1.73 -0.16 116.94 120.03 3jps h PHE 278 Ca 0.01 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 61.83 3jps h PHE 278 Cb 0.96 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 3jps h PHE 278 CO 0.02 0.80 0.27 -0.91 -2.02 0.00 0.00 178.31 176.48 3jps h ASN 279 N 0.91 0.96 -0.32 0.41 2.35 -0.60 0.08 115.58 119.37 3jps h ASN 279 Ca 0.21 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3jps h ASN 279 Cb 0.25 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3jps h ASN 279 CO -0.01 0.87 0.10 0.11 -1.65 0.00 0.00 177.43 176.85 3jps h LYS 280 N 0.99 0.49 -0.58 0.81 1.57 -0.80 0.12 116.57 119.18 3jps h LYS 280 Ca 0.23 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3jps h LYS 280 Cb 0.22 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3jps h LYS 280 CO -0.02 0.53 0.24 -0.91 -0.57 0.00 0.00 179.45 178.72 3jps h ASN 281 N 0.36 0.79 -0.53 0.86 2.35 -0.83 -1.37 115.58 117.20 3jps h ASN 281 Ca 0.10 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 3jps h ASN 281 Cb 0.24 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3jps h ASN 281 CO -0.00 0.74 -0.08 -0.03 -1.65 0.00 0.00 177.43 176.40 3jps h MET 282 N 0.79 1.00 -0.10 0.81 4.05 -0.81 -1.13 114.93 119.54 3jps h MET 282 Ca 0.19 -0.36 -0.11 0.00 -0.28 0.00 0.00 59.70 59.15 3jps h MET 282 Cb 0.18 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 3jps h MET 282 CO -0.02 1.04 -0.41 0.00 0.23 0.00 0.00 176.91 177.75 3jps h ARG 283 N 0.87 0.21 -0.23 0.39 3.08 -0.83 -0.56 114.38 117.31 3jps h ARG 283 Ca 0.14 -0.10 -0.19 0.00 0.07 0.00 0.00 59.98 59.90 3jps h ARG 283 Cb 0.64 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3jps h ARG 283 CO 0.04 0.60 -0.60 0.00 -1.07 0.00 0.00 179.97 178.94 3jps h ALA 284 N 1.40 0.38 -0.56 0.04 0.00 -1.08 -2.50 119.26 116.94 3jps h ALA 284 Ca 0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 3jps h ALA 284 Cb 0.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3jps h ALA 284 CO 0.06 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.29 3jps h HIS 285 N 0.57 0.94 -0.14 0.00 -0.00 -0.98 -2.59 115.15 112.95 3jps h HIS 285 Ca -0.01 -0.11 0.03 0.00 -0.00 0.00 0.00 60.37 60.28 3jps h HIS 285 Cb 1.21 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 28.33 3jps h HIS 285 CO 0.08 0.81 -0.06 0.00 -0.00 0.00 0.00 177.93 178.76 3jps h ALA 286 N 1.25 0.07 -0.31 5.26 0.00 -0.96 -1.56 119.26 123.01 3jps h ALA 286 Ca 0.18 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.20 3jps h ALA 286 Cb 0.38 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3jps h ALA 286 CO 0.01 -0.50 -0.01 -0.07 0.00 0.00 0.00 179.25 178.68 3jps h LEU 287 N -0.03 -0.14 -1.40 0.00 3.38 -0.88 0.52 115.31 116.76 3jps h LEU 287 Ca 0.07 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.24 3jps h LEU 287 Cb 0.15 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3jps h LEU 287 CO -0.17 -0.04 0.52 -0.33 0.09 0.00 0.00 178.44 178.52 3jps h GLU 288 N 0.08 0.62 -0.01 1.13 5.08 -1.08 0.21 114.58 120.61 3jps h GLU 288 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3jps h GLU 288 Cb 0.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3jps h GLU 288 CO -0.26 0.41 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 3jps n LYS 289 N -4.51 1.25 -1.08 2.33 4.76 -0.26 -4.91 118.16 115.74 3jps n LYS 289 Ca 0.14 -0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 3jps n LYS 289 Cb 0.41 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3jps n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jps n GLY 290 N 1.05 0.96 3.19 0.72 0.00 0.75 -5.01 105.19 106.84 3jps n GLY 290 Ca 0.21 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 3jps n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jps s PHE 291 N -2.00 0.98 -0.03 1.61 0.40 0.01 -0.78 117.98 118.17 3jps s PHE 291 Ca 0.00 -1.04 0.03 0.00 -0.60 0.00 0.00 56.93 55.32 3jps s PHE 291 Cb 0.00 -0.57 0.01 0.00 0.51 0.00 0.00 43.02 42.96 3jps s PHE 291 CO 0.00 -0.27 -0.10 -0.08 0.70 0.00 0.00 175.22 175.47 3jps s THR 292 N -3.75 0.89 -0.08 0.64 -1.32 0.53 -1.72 115.64 110.84 3jps s THR 292 Ca 0.19 -0.40 0.04 0.00 -1.21 0.00 0.00 61.69 60.30 3jps s THR 292 Cb 0.06 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 3jps s THR 292 CO -0.00 0.28 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.86 3jps s ILE 293 N 0.29 1.73 0.36 5.08 1.01 -1.26 -1.20 121.20 127.21 3jps s ILE 293 Ca -0.05 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3jps s ILE 293 Cb -0.10 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 3jps s ILE 293 CO 0.01 0.49 0.16 -0.46 0.00 0.00 0.00 174.94 175.13 3jps n ASN 294 N 3.48 0.89 0.00 3.58 0.23 -0.76 -4.93 115.26 117.75 3jps n ASN 294 Ca -0.20 -3.00 0.07 0.00 -0.53 0.00 0.00 54.58 50.92 3jps n ASN 294 Cb 0.53 1.05 0.40 0.00 -2.08 0.00 0.00 39.78 39.67 3jps n ASN 294 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3jps n GLU 295 N -0.80 0.43 -0.06 -3.83 0.00 -1.26 -3.36 120.64 111.76 3jps n GLU 295 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.03 3jps n GLU 295 Cb 0.56 -1.48 -0.05 0.00 0.00 0.00 0.00 31.44 30.46 3jps n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3jps n TYR 296 N -0.98 0.00 -3.92 -1.84 4.01 -1.26 -1.96 117.16 111.20 3jps n TYR 296 Ca 0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.74 3jps n TYR 296 Cb 0.05 -0.46 -0.01 0.00 -0.31 0.00 0.00 39.34 38.60 3jps n TYR 296 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3jps s THR 297 N -2.24 0.00 -0.14 -0.72 -4.23 -1.21 -4.69 115.64 102.41 3jps s THR 297 Ca -0.16 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3jps s THR 297 Cb 0.05 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.37 3jps s THR 297 CO 0.26 0.00 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.73 3jps s ILE 298 N -3.08 1.33 0.11 2.99 2.07 -1.26 -1.82 121.20 121.53 3jps s ILE 298 Ca 0.20 -0.53 0.10 0.00 -1.41 0.00 0.00 60.65 59.02 3jps s ILE 298 Cb -0.03 -1.31 -0.04 0.00 0.13 0.00 0.00 42.46 41.21 3jps s ILE 298 CO 0.12 0.38 -0.26 -0.13 -1.91 0.00 0.00 174.94 173.14 3jps s ARG 299 N 1.58 1.47 0.64 3.50 0.52 -0.34 -1.60 118.95 124.72 3jps s ARG 299 Ca 0.04 -1.27 -0.11 0.00 -0.52 0.00 0.00 55.73 53.87 3jps s ARG 299 Cb -0.13 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 3jps s ARG 299 CO -0.09 0.45 1.04 -1.25 0.02 0.00 0.00 175.30 175.47 3jps s PRO 300 N -1.83 3.36 -0.20 3.54 0.04 -1.26 -0.35 135.00 138.30 3jps s PRO 300 Ca 0.13 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 3jps s PRO 300 Cb -0.10 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3jps s PRO 300 CO 0.05 -0.76 0.05 -0.51 0.04 0.00 0.00 177.00 175.86 3jps s LEU 301 N -5.27 3.59 1.22 -3.56 1.43 0.04 -0.59 118.68 115.55 3jps s LEU 301 Ca 0.56 -0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 53.42 3jps s LEU 301 Cb -0.12 -1.92 0.29 0.00 0.03 0.00 0.00 46.19 44.47 3jps s LEU 301 CO 0.53 0.10 1.08 -0.83 0.23 0.00 0.00 176.35 177.46 3jps s GLY 302 N 0.79 1.55 0.47 -3.19 0.00 -0.33 -4.77 107.32 101.85 3jps s GLY 302 Ca 0.03 -0.87 0.22 0.00 0.00 0.00 0.00 44.72 44.10 3jps s GLY 302 CO 0.02 0.02 1.90 -0.39 0.00 0.00 0.00 173.10 174.65 3jps h VAL 303 N -2.67 0.67 0.01 1.40 -1.51 -1.99 0.00 116.25 112.16 3jps h VAL 303 Ca -0.46 -0.08 -0.25 0.00 -1.23 0.00 0.00 66.70 64.69 3jps h VAL 303 Cb 1.30 0.43 -0.04 0.00 -2.13 0.00 0.00 31.29 30.86 3jps h VAL 303 CO 0.35 0.04 -1.30 0.71 -1.23 0.00 0.00 177.57 176.15 3jps h THR 304 N 0.23 1.36 0.00 7.19 1.35 -2.04 -3.48 112.91 117.52 3jps h THR 304 Ca 0.40 -3.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.15 3jps h THR 304 Cb 1.23 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 3jps h THR 304 CO -0.09 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 3jps n GLY 305 N 1.45 1.23 3.76 5.82 0.00 -0.01 -5.11 105.19 112.33 3jps n GLY 305 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3jps n GLY 305 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jps s VAL 306 N -2.00 4.75 0.32 1.61 0.11 -1.26 -4.65 120.40 119.28 3jps s VAL 306 Ca 0.00 1.46 -0.29 0.00 -2.93 0.00 0.00 61.98 60.22 3jps s VAL 306 Cb 0.00 -4.03 -0.12 0.00 -1.53 0.00 0.00 36.38 30.70 3jps s VAL 306 CO 0.00 0.42 1.51 0.00 -3.33 0.00 0.00 175.10 173.70 3jps n ALA 307 N 2.53 2.22 -1.80 1.54 0.00 -1.26 -1.18 120.51 122.56 3jps n ALA 307 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3jps n ALA 307 Cb 0.50 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3jps n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jps n GLY 308 N 1.44 1.46 3.80 0.00 0.00 0.25 -4.88 105.19 107.26 3jps n GLY 308 Ca 0.06 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 3jps n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jps s GLU 309 N 2.60 4.13 0.23 1.61 0.41 -1.26 -4.71 118.70 121.71 3jps s GLU 309 Ca 0.00 1.27 -0.31 0.00 -0.41 0.00 0.00 54.97 55.52 3jps s GLU 309 Cb 0.00 -2.28 -0.14 0.00 -1.78 0.00 0.00 34.13 29.93 3jps s GLU 309 CO 0.00 -0.13 1.33 -2.30 -0.49 0.00 0.00 175.26 173.67 3jps n PRO 310 N -0.51 1.81 -3.14 0.39 -0.02 -1.26 -4.38 135.00 127.89 3jps n PRO 310 Ca 0.07 0.64 -0.32 0.00 -2.02 0.00 0.00 63.50 61.87 3jps n PRO 310 Cb 0.52 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 3jps n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jps s LEU 311 N 0.18 4.03 0.22 2.45 1.43 -0.63 -5.01 118.68 121.36 3jps s LEU 311 Ca 0.68 1.16 -0.31 0.00 -1.03 0.00 0.00 54.13 54.64 3jps s LEU 311 Cb -0.69 -3.97 -0.10 0.00 0.03 0.00 0.00 46.19 41.45 3jps s LEU 311 CO 0.51 -0.22 1.51 -2.16 0.23 0.00 0.00 176.35 176.22 3jps s PRO 312 N -3.15 4.23 -0.05 1.29 0.04 -1.26 -4.74 135.00 131.36 3jps s PRO 312 Ca 0.52 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.92 3jps s PRO 312 Cb -0.10 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.34 3jps s PRO 312 CO 0.21 -0.52 -0.03 0.08 0.04 0.00 0.00 177.00 176.78 3jps s VAL 313 N 0.46 0.48 -0.01 -0.36 1.01 -1.26 -4.98 120.40 115.75 3jps s VAL 313 Ca 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.57 3jps s VAL 313 Cb -0.43 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.43 3jps s VAL 313 CO 0.39 0.23 0.86 0.47 0.00 0.00 0.00 175.10 177.04 3jps n ASP 314 N 4.29 1.37 -3.61 3.32 9.92 -1.26 -4.98 116.55 125.61 3jps n ASP 314 Ca -0.21 -1.76 -0.00 0.00 -0.53 0.00 0.00 54.79 52.29 3jps n ASP 314 Cb 0.51 -0.03 -0.01 0.00 -0.64 0.00 0.00 41.12 40.95 3jps n ASP 314 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3jps s SER 315 N -0.80 -0.06 0.32 -2.24 1.04 -1.26 -4.99 113.70 105.70 3jps s SER 315 Ca 0.02 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.46 3jps s SER 315 Cb 0.01 0.12 0.54 0.00 0.10 0.00 0.00 66.02 66.79 3jps s SER 315 CO 0.00 -0.21 1.75 -0.33 0.98 0.00 0.00 173.24 175.43 3jps h GLU 316 N 2.00 0.21 -0.51 4.02 5.08 -1.98 -2.84 114.58 120.57 3jps h GLU 316 Ca -0.22 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3jps h GLU 316 Cb 1.18 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3jps h GLU 316 CO 0.26 0.55 0.26 -0.22 -1.00 0.00 0.00 179.01 178.86 3jps h LYS 317 N 0.18 0.71 -0.96 2.33 3.64 -1.98 -1.86 116.57 118.63 3jps h LYS 317 Ca 0.02 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3jps h LYS 317 Cb 0.73 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 3jps h LYS 317 CO 0.05 0.54 0.62 -0.44 -2.27 0.00 0.00 179.45 177.96 3jps h ASP 318 N 0.71 1.01 -0.29 4.20 3.32 -1.89 0.14 116.42 123.63 3jps h ASP 318 Ca 0.18 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3jps h ASP 318 Cb 0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3jps h ASP 318 CO -0.03 0.67 0.14 0.40 -1.72 0.00 0.00 179.24 178.71 3jps h ILE 319 N 1.16 1.15 -0.85 0.35 2.04 -1.43 -1.61 117.51 118.31 3jps h ILE 319 Ca 0.40 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3jps h ILE 319 Cb 0.09 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3jps h ILE 319 CO -0.14 0.15 0.54 -0.26 0.00 0.00 0.00 178.15 178.44 3jps h PHE 320 N 0.33 1.10 -0.89 1.37 -1.00 -1.17 -2.74 116.94 113.94 3jps h PHE 320 Ca 0.10 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 3jps h PHE 320 Cb 0.11 -0.37 -0.04 0.00 3.61 0.00 0.00 35.95 39.26 3jps h PHE 320 CO -0.02 0.72 0.52 -0.44 -1.61 0.00 0.00 178.31 177.47 3jps h ASP 321 N 1.16 1.09 -0.93 2.17 3.32 -0.30 -0.45 116.42 122.47 3jps h ASP 321 Ca 0.31 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.31 3jps h ASP 321 Cb -0.08 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.14 3jps h ASP 321 CO -0.06 0.85 0.61 1.88 -1.72 0.00 0.00 179.24 180.80 3jps h TYR 322 N 1.24 1.14 -0.56 4.55 0.99 -0.99 -2.00 116.97 121.34 3jps h TYR 322 Ca 0.32 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.08 3jps h TYR 322 Cb -0.02 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 37.33 3jps h TYR 322 CO 0.01 0.67 0.00 0.44 -0.00 0.00 0.00 178.16 179.28 3jps n ILE 323 N -4.43 1.47 -3.58 -2.88 -5.35 -1.08 -4.95 119.36 98.57 3jps n ILE 323 Ca 0.12 -0.98 -0.22 0.00 -0.27 0.00 0.00 62.75 61.41 3jps n ILE 323 Cb 0.09 0.10 0.07 0.00 -1.74 0.00 0.00 39.64 38.16 3jps n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jps n GLN 324 N 0.97 -7.06 -4.98 6.28 6.02 -0.75 -4.95 117.38 112.91 3jps n GLN 324 Ca 0.22 0.80 -0.32 0.00 -0.01 0.00 0.00 57.00 57.68 3jps n GLN 324 Cb 0.75 -5.79 -0.14 0.00 1.02 0.00 0.00 30.24 26.08 3jps n GLN 324 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3jps s TRP 325 N -3.36 2.64 0.59 1.08 0.52 -0.22 -5.03 118.94 115.17 3jps s TRP 325 Ca 0.35 -0.39 -0.18 0.00 0.02 0.00 0.00 56.10 55.90 3jps s TRP 325 Cb -0.16 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 3jps s TRP 325 CO 0.75 0.01 1.17 0.15 0.02 0.00 0.00 176.95 179.04 3jps s LYS 326 N -0.39 3.02 0.48 4.98 1.02 -1.26 -4.08 119.74 123.51 3jps s LYS 326 Ca 0.04 1.69 -0.23 0.00 0.02 0.00 0.00 55.97 57.48 3jps s LYS 326 Cb -0.12 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.17 3jps s LYS 326 CO 0.02 -1.13 1.28 -0.47 -0.92 0.00 0.00 175.35 174.13 3jps s TYR 327 N -1.79 2.63 -0.10 3.18 5.04 -1.26 -5.00 117.35 120.06 3jps s TYR 327 Ca 0.74 1.44 0.01 0.00 -2.44 0.00 0.00 57.07 56.82 3jps s TYR 327 Cb -0.27 -3.62 0.02 0.00 0.35 0.00 0.00 41.96 38.44 3jps s TYR 327 CO 0.33 -2.20 -0.11 1.03 -1.34 0.00 0.00 175.55 173.26 3jps s ARG 328 N -2.65 1.74 0.64 4.97 0.52 -1.26 -5.12 118.95 117.79 3jps s ARG 328 Ca 0.65 -0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 55.31 3jps s ARG 328 Cb -0.36 -1.60 -0.01 0.00 0.52 0.00 0.00 34.95 33.51 3jps s ARG 328 CO 0.44 -0.13 1.21 -1.21 0.02 0.00 0.00 175.30 175.62 3jps s GLU 329 N 1.21 2.67 0.29 3.54 0.41 -1.26 -4.87 118.70 120.69 3jps s GLU 329 Ca -0.04 1.79 0.03 0.00 -0.41 0.00 0.00 54.97 56.34 3jps s GLU 329 Cb -0.14 -1.89 0.73 0.00 -1.78 0.00 0.00 34.13 31.05 3jps s GLU 329 CO -0.03 -1.43 1.64 -1.35 -0.49 0.00 0.00 175.26 173.59 3jps h PRO 330 N 0.43 0.18 0.00 0.39 0.11 -1.94 0.17 132.00 131.33 3jps h PRO 330 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3jps h PRO 330 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3jps h PRO 330 CO 0.53 0.12 0.02 1.57 -0.21 0.00 0.00 178.00 180.03 3jps h LYS 331 N 0.18 0.00 -0.58 1.05 2.10 -1.80 -0.74 116.57 116.79 3jps h LYS 331 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 3jps h LYS 331 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3jps h LYS 331 CO -0.68 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.52 3jps n ASP 332 N -2.80 4.17 -1.19 7.07 8.00 0.58 -4.35 116.55 128.02 3jps n ASP 332 Ca -0.02 -2.31 0.08 0.00 0.71 0.00 0.00 54.79 53.24 3jps n ASP 332 Cb 0.07 -0.49 0.29 0.00 -0.02 0.00 0.00 41.12 40.97 3jps n ASP 332 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jps n ARG 333 N 0.99 3.44 -1.94 -1.24 1.74 -0.28 -4.82 116.66 114.55 3jps n ARG 333 Ca 0.23 -2.74 -0.42 0.00 -0.77 0.00 0.00 57.85 54.15 3jps n ARG 333 Cb 0.74 -1.80 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3jps n ARG 333 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3jps n SER 334 N 0.37 5.36 -0.52 0.55 7.64 -1.26 -1.23 113.62 124.53 3jps n SER 334 Ca 0.22 -2.95 0.14 0.00 1.01 0.00 0.00 58.87 57.29 3jps n SER 334 Cb 0.84 -1.55 0.49 0.00 -1.01 0.00 0.00 64.21 62.98 3jps n SER 334 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41