#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jpo h LEU 11 N 0.00 0.97 -4.34 3.22 5.85 -1.94 -2.70 115.31 116.37 3jpo h LEU 11 Ca 0.00 -0.01 -0.46 0.00 0.84 0.00 0.00 57.88 58.25 3jpo h LEU 11 Cb 0.00 -0.23 -0.42 0.00 0.37 0.00 0.00 40.66 40.38 3jpo h LEU 11 CO 0.00 0.68 -0.91 0.59 -0.34 0.00 0.00 178.44 178.45 3jpo n ASN 12 N -4.43 3.81 -0.17 1.25 3.02 -1.26 -4.79 115.26 112.69 3jpo n ASN 12 Ca 0.11 -3.21 -0.01 0.00 -0.03 0.00 0.00 54.58 51.44 3jpo n ASN 12 Cb 0.08 -0.40 0.08 0.00 -0.61 0.00 0.00 39.78 38.94 3jpo n ASN 12 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3jpo h GLY 13 N 2.37 0.66 0.22 7.41 0.00 -1.89 -1.42 103.07 110.42 3jpo h GLY 13 Ca 0.20 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.59 3jpo h GLY 13 CO 0.59 -0.08 -0.03 -1.33 0.00 0.00 0.00 176.54 175.68 3jpo h GLY 14 N 0.24 0.41 0.78 4.60 0.00 -1.91 0.91 103.07 108.12 3jpo h GLY 14 Ca 0.27 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 3jpo h GLY 14 CO -0.35 -0.13 0.00 -2.22 0.00 0.00 0.00 176.54 173.83 3jpo h ILE 15 N 0.07 1.25 -0.84 2.60 2.04 -1.86 -2.15 117.51 118.63 3jpo h ILE 15 Ca 0.22 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3jpo h ILE 15 Cb 0.33 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3jpo h ILE 15 CO -0.40 0.24 0.38 0.71 0.00 0.00 0.00 178.15 179.09 3jpo h THR 16 N -0.01 1.26 -0.76 -0.27 1.35 -0.94 -1.44 112.91 112.11 3jpo h THR 16 Ca 0.04 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 3jpo h THR 16 Cb 0.37 0.21 -0.04 0.00 -1.73 0.00 0.00 68.15 66.95 3jpo h THR 16 CO 0.01 0.32 0.45 0.44 -0.25 0.00 0.00 175.52 176.49 3jpo h ASP 17 N 1.20 0.91 -0.48 5.36 3.32 -0.79 0.01 116.42 125.95 3jpo h ASP 17 Ca 0.29 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 3jpo h ASP 17 Cb 0.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3jpo h ASP 17 CO -0.03 0.71 0.30 -0.03 -1.72 0.00 0.00 179.24 178.46 3jpo h MET 18 N 1.03 0.65 -0.44 3.56 1.85 -0.78 -0.46 114.93 120.34 3jpo h MET 18 Ca 0.27 -0.06 -0.11 0.00 -0.61 0.00 0.00 59.70 59.20 3jpo h MET 18 Cb -0.03 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 31.84 3jpo h MET 18 CO -0.05 0.47 -0.15 -0.07 -0.40 0.00 0.00 176.91 176.71 3jpo h LEU 19 N 0.65 0.84 -0.58 3.39 3.38 -0.96 -1.09 115.31 120.93 3jpo h LEU 19 Ca 0.17 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3jpo h LEU 19 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3jpo h LEU 19 CO -0.03 0.99 0.17 0.74 0.09 0.00 0.00 178.44 180.40 3jpo h THR 20 N 0.75 1.24 -0.66 0.22 2.02 -0.59 0.29 112.91 116.18 3jpo h THR 20 Ca 0.12 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 3jpo h THR 20 Cb 0.66 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3jpo h THR 20 CO 0.05 0.31 0.12 -0.08 0.37 0.00 0.00 175.52 176.29 3jpo h GLU 21 N 0.81 1.07 -0.33 6.66 4.81 -0.89 0.09 114.58 126.80 3jpo h GLU 21 Ca 0.18 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3jpo h GLU 21 Cb 0.30 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3jpo h GLU 21 CO -0.00 0.97 0.13 -0.07 -0.73 0.00 0.00 179.01 179.31 3jpo h LEU 22 N 1.01 0.45 -0.40 1.64 3.38 -0.72 -1.61 115.31 119.06 3jpo h LEU 22 Ca 0.20 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3jpo h LEU 22 Cb 0.41 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3jpo h LEU 22 CO 0.01 0.50 0.19 0.00 0.09 0.00 0.00 178.44 179.22 3jpo h ALA 23 N 0.97 0.49 -0.61 1.53 0.00 -0.04 -1.45 119.26 120.14 3jpo h ALA 23 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3jpo h ALA 23 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3jpo h ALA 23 CO -0.01 -0.18 0.33 -0.91 0.00 0.00 0.00 179.25 178.48 3jpo h ASN 24 N 0.38 0.75 -0.07 0.00 2.35 -0.80 -1.50 115.58 116.68 3jpo h ASN 24 Ca 0.17 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3jpo h ASN 24 Cb 0.10 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 3jpo h ASN 24 CO -0.13 0.61 0.02 0.15 -1.65 0.00 0.00 177.43 176.42 3jpo h PHE 25 N 0.84 0.12 -0.74 1.19 3.04 -0.51 0.19 116.94 121.07 3jpo h PHE 25 Ca 0.22 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.16 3jpo h PHE 25 Cb 0.03 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 3jpo h PHE 25 CO 0.01 0.30 0.48 0.93 -2.02 0.00 0.00 178.31 178.01 3jpo h GLU 26 N -0.10 0.98 0.15 1.11 4.39 -1.00 -0.06 114.58 120.05 3jpo h GLU 26 Ca 0.02 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3jpo h GLU 26 Cb 0.24 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3jpo h GLU 26 CO 0.00 0.65 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.21 3jpo h LYS 27 N 1.01 -0.20 0.03 2.33 3.64 -1.07 0.38 116.57 122.69 3jpo h LYS 27 Ca 0.27 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3jpo h LYS 27 Cb -0.11 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3jpo h LYS 27 CO -0.06 0.23 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.43 3jpo h ASN 28 N -0.90 -0.03 0.00 4.20 2.35 -0.61 -3.18 115.58 117.40 3jpo h ASN 28 Ca -0.02 -0.60 -0.03 0.00 -0.55 0.00 0.00 56.30 55.11 3jpo h ASN 28 Cb 0.51 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 3jpo h ASN 28 CO 0.03 0.60 -0.41 0.58 -1.65 0.00 0.00 177.43 176.59 3jpo h VAL 29 N -0.69 0.23 0.00 2.81 2.07 -1.20 -3.40 116.25 116.08 3jpo h VAL 29 Ca -0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3jpo h VAL 29 Cb 0.63 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3jpo h VAL 29 CO 0.01 0.08 0.00 0.28 0.02 0.00 0.00 177.57 177.95 3jpo h SER 30 N -1.00 0.00 -6.29 0.57 0.02 -1.38 -3.47 113.55 102.00 3jpo h SER 30 Ca -0.04 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.44 3jpo h SER 30 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3jpo h SER 30 CO -0.02 0.00 -0.81 0.00 -1.14 0.00 0.00 176.83 174.86 3jpo n GLN 31 N -2.57 -4.86 -3.74 3.45 6.02 0.64 -4.91 117.38 111.41 3jpo n GLN 31 Ca 0.03 0.56 -0.33 0.00 -0.01 0.00 0.00 57.00 57.25 3jpo n GLN 31 Cb 0.34 -5.23 -0.09 0.00 1.02 0.00 0.00 30.24 26.28 3jpo n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jpo s ALA 32 N -3.51 4.09 0.36 -1.58 0.00 0.10 -4.96 121.76 116.26 3jpo s ALA 32 Ca 0.36 -3.86 0.09 0.00 0.00 0.00 0.00 51.96 48.55 3jpo s ALA 32 Cb -0.18 -2.56 0.83 0.00 0.00 0.00 0.00 23.12 21.21 3jpo s ALA 32 CO 0.84 -2.13 1.87 0.97 0.00 0.00 0.00 175.76 177.31 3jpo h ILE 33 N 4.17 0.83 -0.17 0.00 6.09 -1.90 -1.39 117.51 125.14 3jpo h ILE 33 Ca 0.16 -0.23 -0.15 0.00 -1.37 0.00 0.00 64.86 63.27 3jpo h ILE 33 Cb 0.78 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.16 3jpo h ILE 33 CO 0.80 0.12 -0.53 0.45 -3.07 0.00 0.00 178.15 175.93 3jpo h HIS 34 N 0.68 0.59 -0.30 2.19 3.86 -1.96 -1.60 115.15 118.61 3jpo h HIS 34 Ca 0.45 -0.20 -0.14 0.00 -1.16 0.00 0.00 60.37 59.31 3jpo h HIS 34 Cb 0.74 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 3jpo h HIS 34 CO -0.00 0.90 -0.39 0.87 0.86 0.00 0.00 177.93 180.18 3jpo h LYS 35 N 0.37 0.70 0.13 2.45 1.57 -1.79 0.18 116.57 120.18 3jpo h LYS 35 Ca 0.01 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3jpo h LYS 35 Cb 1.05 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3jpo h LYS 35 CO 0.10 0.97 -0.20 -0.92 -0.57 0.00 0.00 179.45 178.82 3jpo h TYR 36 N 0.58 -0.53 0.00 -1.35 3.20 -0.99 -0.32 116.97 117.56 3jpo h TYR 36 Ca 0.05 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3jpo h TYR 36 Cb 0.92 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 3jpo h TYR 36 CO 0.05 -0.29 -0.33 -0.91 -1.64 0.00 0.00 178.16 175.03 3jpo h ASN 37 N -0.39 0.00 -0.19 -2.11 2.35 -1.19 -0.63 115.58 113.42 3jpo h ASN 37 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3jpo h ASN 37 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3jpo h ASN 37 CO -0.10 0.33 0.07 0.00 -1.65 0.00 0.00 177.43 176.08 3jpo h ALA 38 N 1.67 0.25 -0.59 -0.83 0.00 -0.29 0.93 119.26 120.40 3jpo h ALA 38 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3jpo h ALA 38 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3jpo h ALA 38 CO 0.04 -0.13 0.04 1.88 0.00 0.00 0.00 179.25 181.08 3jpo h TYR 39 N 0.15 1.07 -0.65 0.00 0.05 -0.76 -2.38 116.97 114.46 3jpo h TYR 39 Ca 0.06 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 58.64 3jpo h TYR 39 Cb 0.21 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 3jpo h TYR 39 CO -0.00 0.94 0.23 0.00 -1.05 0.00 0.00 178.16 178.27 3jpo h ARG 40 N 0.93 0.99 -0.54 4.88 3.08 -0.81 -0.75 114.38 122.15 3jpo h ARG 40 Ca 0.18 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3jpo h ARG 40 Cb 0.49 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3jpo h ARG 40 CO 0.02 0.85 0.27 -0.22 -1.07 0.00 0.00 179.97 179.82 3jpo h LYS 41 N 0.92 0.77 -0.18 0.04 3.64 -0.65 -0.03 116.57 121.09 3jpo h LYS 41 Ca 0.21 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3jpo h LYS 41 Cb 0.25 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3jpo h LYS 41 CO -0.01 0.63 0.10 0.00 -2.27 0.00 0.00 179.45 177.90 3jpo h ALA 42 N 1.10 0.23 -0.69 5.00 0.00 -1.23 -0.38 119.26 123.30 3jpo h ALA 42 Ca 0.19 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3jpo h ALA 42 Cb 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3jpo h ALA 42 CO -0.02 -0.25 0.41 0.00 0.00 0.00 0.00 179.25 179.39 3jpo h ALA 43 N 1.00 0.92 0.41 0.00 0.00 -0.88 -1.45 119.26 119.27 3jpo h ALA 43 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3jpo h ALA 43 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3jpo h ALA 43 CO -0.01 0.13 -0.20 1.03 0.00 0.00 0.00 179.25 180.20 3jpo h SER 44 N 0.77 -0.47 0.13 0.00 0.87 -0.54 -0.28 113.55 114.03 3jpo h SER 44 Ca 0.30 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3jpo h SER 44 Cb 0.12 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3jpo h SER 44 CO -0.15 -0.31 -0.10 1.62 -0.53 0.00 0.00 176.83 177.36 3jpo h VAL 45 N -0.58 0.94 0.04 2.23 3.04 -0.90 -2.14 116.25 118.88 3jpo h VAL 45 Ca -0.06 -0.35 -0.24 0.00 -1.01 0.00 0.00 66.70 65.05 3jpo h VAL 45 Cb 0.44 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 3jpo h VAL 45 CO 0.09 0.10 -1.12 0.40 -1.01 0.00 0.00 177.57 176.03 3jpo h ILE 46 N 0.00 1.60 0.00 3.17 2.04 -1.05 -2.76 117.51 120.51 3jpo h ILE 46 Ca -0.00 -3.27 -0.03 0.00 1.00 0.00 0.00 64.86 62.56 3jpo h ILE 46 Cb 0.19 2.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3jpo h ILE 46 CO 0.01 0.93 -0.12 0.00 0.00 0.00 0.00 178.15 178.97 3jpo h ALA 47 N 0.85 0.99 0.00 1.87 0.00 -0.43 -2.50 119.26 120.04 3jpo h ALA 47 Ca -0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3jpo h ALA 47 Cb 1.85 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3jpo h ALA 47 CO 0.15 0.15 -0.83 -0.22 0.00 0.00 0.00 179.25 178.51 3jpo h LYS 48 N 0.00 0.00 -6.29 0.00 3.64 -1.40 -3.46 116.57 109.05 3jpo h LYS 48 Ca -0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 3jpo h LYS 48 Cb 0.72 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3jpo h LYS 48 CO 0.02 0.21 1.21 -0.47 -2.27 0.00 0.00 179.45 178.14 3jpo s TYR 49 N -3.11 1.53 -1.63 1.91 5.04 -0.94 -4.89 117.35 115.26 3jpo s TYR 49 Ca 0.01 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 3jpo s TYR 49 Cb 0.08 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.29 3jpo s TYR 49 CO 0.76 -4.77 0.61 -0.35 -1.34 0.00 0.00 175.55 170.46 3jpo n PRO 50 N 7.53 0.74 -4.20 4.97 -0.04 -1.26 -4.81 135.00 137.93 3jpo n PRO 50 Ca 0.20 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.48 3jpo n PRO 50 Cb 0.42 -1.14 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 3jpo n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3jpo s HIS 51 N -1.63 1.31 -0.60 0.54 3.76 -1.26 -5.09 115.29 112.32 3jpo s HIS 51 Ca 0.00 -0.51 -0.26 0.00 -0.15 0.00 0.00 55.06 54.13 3jpo s HIS 51 Cb 0.00 -0.71 0.04 0.00 1.11 0.00 0.00 32.58 33.02 3jpo s HIS 51 CO 0.00 0.09 1.11 0.21 -0.85 0.00 0.00 174.74 175.31 3jpo s LYS 52 N -2.20 3.39 0.18 1.40 2.20 -1.26 -4.82 119.74 118.64 3jpo s LYS 52 Ca 0.03 -0.03 -0.33 0.00 -0.36 0.00 0.00 55.97 55.28 3jpo s LYS 52 Cb -0.07 -4.06 -0.14 0.00 -1.51 0.00 0.00 37.83 32.04 3jpo s LYS 52 CO 0.02 -1.69 1.43 -0.89 -0.36 0.00 0.00 175.35 173.87 3jpo n ILE 53 N 6.45 0.48 0.50 5.43 5.41 -1.26 -4.92 119.36 131.44 3jpo n ILE 53 Ca 0.05 -0.12 0.05 0.00 1.00 0.00 0.00 62.75 63.74 3jpo n ILE 53 Cb 0.48 -1.33 -0.07 0.00 -0.71 0.00 0.00 39.64 38.01 3jpo n ILE 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3jpo n LYS 54 N 2.55 2.95 -3.48 0.38 5.02 -1.26 -5.05 118.16 119.28 3jpo n LYS 54 Ca 0.15 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 3jpo n LYS 54 Cb 0.28 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.20 3jpo n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3jpo s SER 55 N -2.20 -0.45 0.39 4.39 1.04 -1.26 -5.02 113.70 110.61 3jpo s SER 55 Ca 0.04 0.06 0.11 0.00 0.48 0.00 0.00 55.95 56.63 3jpo s SER 55 Cb 0.09 0.46 0.81 0.00 0.10 0.00 0.00 66.02 67.47 3jpo s SER 55 CO 0.48 -0.72 1.91 1.23 0.98 0.00 0.00 173.24 177.12 3jpo h GLY 56 N 2.08 0.16 0.97 7.32 0.00 -1.85 -2.00 103.07 109.76 3jpo h GLY 56 Ca -0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3jpo h GLY 56 CO 0.34 0.10 0.22 0.00 0.00 0.00 0.00 176.54 177.19 3jpo h ALA 57 N 1.67 0.50 -0.44 3.60 0.00 -1.95 0.25 119.26 122.89 3jpo h ALA 57 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3jpo h ALA 57 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3jpo h ALA 57 CO 0.03 0.02 0.29 1.49 0.00 0.00 0.00 179.25 181.08 3jpo h GLU 58 N 0.51 0.58 -0.64 0.00 4.81 -1.81 -2.66 114.58 115.36 3jpo h GLU 58 Ca 0.14 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3jpo h GLU 58 Cb 0.04 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3jpo h GLU 58 CO -0.02 0.38 0.16 0.00 -0.73 0.00 0.00 179.01 178.80 3jpo h ALA 59 N 1.16 1.07 0.00 2.92 0.00 -0.87 -2.55 119.26 120.99 3jpo h ALA 59 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jpo h ALA 59 Cb -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3jpo h ALA 59 CO -0.04 0.62 0.00 -0.22 0.00 0.00 0.00 179.25 179.61 3jpo h LYS 60 N 0.96 0.00 0.00 0.00 3.64 -0.15 -0.91 116.57 120.11 3jpo h LYS 60 Ca 0.20 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3jpo h LYS 60 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3jpo h LYS 60 CO 0.00 0.00 -0.30 0.87 -2.27 0.00 0.00 179.45 177.75 3jpo h LYS 61 N 0.00 0.00 -6.82 1.90 1.57 -1.39 -3.44 116.57 108.40 3jpo h LYS 61 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3jpo h LYS 61 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3jpo h LYS 61 CO 0.00 0.30 0.39 -0.51 -0.57 0.00 0.00 179.45 179.07 3jpo s LEU 62 N -8.10 4.49 0.10 2.94 1.43 -0.35 -4.99 118.68 114.21 3jpo s LEU 62 Ca -0.03 2.03 -0.31 0.00 -1.03 0.00 0.00 54.13 54.79 3jpo s LEU 62 Cb 0.14 -3.77 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 3jpo s LEU 62 CO 0.70 -0.06 1.44 -2.16 0.23 0.00 0.00 176.35 176.51 3jpo s PRO 63 N -1.60 4.29 0.00 1.29 0.04 -1.26 -2.14 135.00 135.61 3jpo s PRO 63 Ca 0.46 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3jpo s PRO 63 Cb -0.26 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.98 3jpo s PRO 63 CO 0.32 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.26 3jpo n GLY 64 N 3.60 2.34 3.41 0.56 0.00 -1.26 -4.84 105.19 109.01 3jpo n GLY 64 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3jpo n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpo s VAL 65 N -2.20 4.73 0.00 1.61 1.01 -0.91 -4.42 120.40 120.23 3jpo s VAL 65 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3jpo s VAL 65 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3jpo s VAL 65 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 3jpo n GLY 66 N 5.02 4.00 0.36 4.51 0.00 -1.26 -4.48 105.19 113.34 3jpo n GLY 66 Ca -0.12 -2.01 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 3jpo n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jpo h THR 67 N 0.00 0.35 -0.37 2.61 2.02 -1.97 -1.11 112.91 114.43 3jpo h THR 67 Ca 0.00 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.18 3jpo h THR 67 Cb 0.00 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 66.70 3jpo h THR 67 CO 0.00 0.01 -0.24 0.11 0.37 0.00 0.00 175.52 175.77 3jpo h LYS 68 N -0.92 -0.18 -0.18 6.66 1.79 -2.00 -0.05 116.57 121.69 3jpo h LYS 68 Ca -0.09 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.30 3jpo h LYS 68 Cb 0.68 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 3jpo h LYS 68 CO 0.14 -0.12 -0.28 0.82 -1.08 0.00 0.00 179.45 178.93 3jpo h ILE 69 N -0.19 1.26 -0.72 1.86 2.04 -1.95 -2.40 117.51 117.41 3jpo h ILE 69 Ca 0.18 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3jpo h ILE 69 Cb 0.47 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3jpo h ILE 69 CO -0.48 0.39 0.41 0.00 0.00 0.00 0.00 178.15 178.47 3jpo h ALA 70 N 1.40 0.93 -0.62 1.87 0.00 0.14 0.16 119.26 123.14 3jpo h ALA 70 Ca 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3jpo h ALA 70 Cb 0.66 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3jpo h ALA 70 CO 0.05 0.43 0.10 0.93 0.00 0.00 0.00 179.25 180.76 3jpo h GLU 71 N 1.00 1.00 -0.46 0.00 5.08 -0.75 -1.96 114.58 118.50 3jpo h GLU 71 Ca 0.26 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3jpo h GLU 71 Cb 0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3jpo h GLU 71 CO -0.04 0.92 -0.07 0.87 -1.00 0.00 0.00 179.01 179.68 3jpo h LYS 72 N 0.94 0.80 -0.29 2.33 1.57 -0.89 -1.85 116.57 119.19 3jpo h LYS 72 Ca 0.19 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 3jpo h LYS 72 Cb 0.40 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3jpo h LYS 72 CO 0.01 0.85 -0.30 0.82 -0.57 0.00 0.00 179.45 180.27 3jpo h ILE 73 N 0.73 1.28 -0.38 1.86 2.04 -0.67 -1.11 117.51 121.26 3jpo h ILE 73 Ca 0.13 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 3jpo h ILE 73 Cb 0.55 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3jpo h ILE 73 CO 0.03 0.45 0.11 0.44 0.00 0.00 0.00 178.15 179.18 3jpo h ASP 74 N 0.51 0.56 -0.50 1.72 3.32 -1.00 -1.15 116.42 119.87 3jpo h ASP 74 Ca 0.06 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3jpo h ASP 74 Cb 0.77 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3jpo h ASP 74 CO 0.06 0.62 0.28 -0.08 -1.72 0.00 0.00 179.24 178.41 3jpo h GLU 75 N 0.46 0.69 -0.60 3.56 4.81 -1.12 -1.58 114.58 120.81 3jpo h GLU 75 Ca 0.12 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3jpo h GLU 75 Cb 0.27 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3jpo h GLU 75 CO -0.00 0.53 0.18 0.35 -0.73 0.00 0.00 179.01 179.34 3jpo h PHE 76 N 0.67 0.92 -0.29 0.92 3.57 -1.00 -1.45 116.94 120.28 3jpo h PHE 76 Ca 0.18 -0.08 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 3jpo h PHE 76 Cb 0.03 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3jpo h PHE 76 CO -0.02 0.75 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.31 3jpo h LEU 77 N 0.87 0.77 -0.32 0.59 3.38 -0.93 0.62 115.31 120.30 3jpo h LEU 77 Ca 0.20 -0.36 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 3jpo h LEU 77 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3jpo h LEU 77 CO -0.01 1.09 -0.83 0.00 0.09 0.00 0.00 178.44 178.78 3jpo h ALA 78 N 0.94 0.53 0.00 1.53 0.00 -1.05 -3.38 119.26 117.83 3jpo h ALA 78 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3jpo h ALA 78 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3jpo h ALA 78 CO 0.09 0.83 -0.32 0.25 0.00 0.00 0.00 179.25 180.10 3jpo n THR 79 N -3.75 0.00 -0.77 0.00 -2.24 -0.57 -5.01 114.28 101.94 3jpo n THR 79 Ca -0.04 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3jpo n THR 79 Cb 0.77 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3jpo n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jpo n GLY 80 N 1.46 0.72 3.44 3.38 0.00 0.22 -5.00 105.19 109.41 3jpo n GLY 80 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3jpo n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3jpo n LYS 81 N -2.47 0.87 -3.93 1.61 2.85 -1.24 -5.00 118.16 110.85 3jpo n LYS 81 Ca 0.00 -2.47 -0.22 0.00 -1.05 0.00 0.00 58.31 54.57 3jpo n LYS 81 Cb 0.00 2.65 -0.17 0.00 -0.65 0.00 0.00 35.03 36.86 3jpo n LYS 81 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3jpo s LEU 82 N 0.00 0.93 0.22 -5.58 2.96 -1.26 -3.44 118.68 112.51 3jpo s LEU 82 Ca 0.22 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3jpo s LEU 82 Cb -0.03 -0.50 0.18 0.00 0.50 0.00 0.00 46.19 46.34 3jpo s LEU 82 CO 0.16 -0.13 1.84 0.03 -1.32 0.00 0.00 176.35 176.93 3jpo h ARG 83 N 7.91 1.18 -1.00 1.98 3.08 -1.99 -1.40 114.38 124.14 3jpo h ARG 83 Ca -0.27 -0.15 0.11 0.00 0.07 0.00 0.00 59.98 59.74 3jpo h ARG 83 Cb 1.14 -0.23 -0.08 0.00 0.08 0.00 0.00 29.97 30.88 3jpo h ARG 83 CO 0.35 0.88 0.63 -0.22 -1.07 0.00 0.00 179.97 180.55 3jpo h LYS 84 N 1.18 0.99 0.01 0.04 3.64 -2.00 -0.68 116.57 119.75 3jpo h LYS 84 Ca 0.29 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.39 3jpo h LYS 84 Cb 0.05 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3jpo h LYS 84 CO -0.05 0.66 -0.95 -0.07 -2.27 0.00 0.00 179.45 176.78 3jpo h LEU 85 N 1.02 0.45 -0.82 5.20 3.38 -1.89 -2.76 115.31 119.89 3jpo h LEU 85 Ca 0.49 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3jpo h LEU 85 Cb 0.44 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3jpo h LEU 85 CO -0.25 1.18 0.54 -0.33 0.09 0.00 0.00 178.44 179.67 3jpo h GLU 86 N 0.19 1.07 -0.20 1.13 4.39 -0.11 0.29 114.58 121.34 3jpo h GLU 86 Ca -0.07 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.43 3jpo h GLU 86 Cb 1.59 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 3jpo h GLU 86 CO 0.16 0.71 -0.45 0.87 -1.16 0.00 0.00 179.01 179.14 3jpo h LYS 87 N 1.11 0.50 -0.38 2.33 1.57 -1.20 -2.49 116.57 118.00 3jpo h LYS 87 Ca 0.30 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3jpo h LYS 87 Cb -0.12 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3jpo h LYS 87 CO -0.07 0.85 0.01 0.82 -0.57 0.00 0.00 179.45 180.49 3jpo h ILE 88 N 0.40 1.26 -0.45 1.86 2.04 -1.07 -1.96 117.51 119.59 3jpo h ILE 88 Ca 0.03 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.92 3jpo h ILE 88 Cb 0.95 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3jpo h ILE 88 CO 0.08 0.33 0.30 0.03 0.00 0.00 0.00 178.15 178.89 3jpo h ARG 89 N 0.48 0.59 0.00 2.37 3.08 -0.84 -1.97 114.38 118.10 3jpo h ARG 89 Ca 0.11 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 3jpo h ARG 89 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3jpo h ARG 89 CO 0.02 0.39 -0.69 1.96 -1.07 0.00 0.00 179.97 180.58 3jpo h GLN 90 N 0.61 0.00 -6.25 0.04 4.20 -1.15 -3.44 115.11 109.12 3jpo h GLN 90 Ca 0.17 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.32 3jpo h GLN 90 Cb -0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3jpo h GLN 90 CO -0.04 0.69 1.09 0.34 -0.67 0.00 0.00 178.83 180.24 3jpo s ASP 91 N -6.80 6.63 0.18 1.46 2.15 -0.74 -4.91 116.67 114.64 3jpo s ASP 91 Ca -0.01 2.09 -0.07 0.00 0.43 0.00 0.00 52.55 54.99 3jpo s ASP 91 Cb 0.12 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.28 3jpo s ASP 91 CO 0.77 -0.98 1.57 0.44 -0.17 0.00 0.00 175.17 176.80 3jpo h ASP 92 N 9.70 0.91 -0.12 -0.34 3.32 -1.84 -1.28 116.42 126.77 3jpo h ASP 92 Ca -0.37 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.31 3jpo h ASP 92 Cb 1.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3jpo h ASP 92 CO 0.96 1.11 0.04 0.74 -1.72 0.00 0.00 179.24 180.38 3jpo h THR 93 N 0.75 1.17 -0.91 0.35 2.02 -1.94 0.24 112.91 114.59 3jpo h THR 93 Ca 0.09 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3jpo h THR 93 Cb 0.82 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 3jpo h THR 93 CO 0.07 0.15 0.58 0.28 0.37 0.00 0.00 175.52 176.97 3jpo h SER 94 N 0.02 1.06 -0.40 4.18 0.02 -1.86 0.96 113.55 117.53 3jpo h SER 94 Ca 0.04 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3jpo h SER 94 Cb 0.21 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3jpo h SER 94 CO -0.00 0.79 0.10 0.28 -1.14 0.00 0.00 176.83 176.86 3jpo h SER 95 N 1.24 0.60 -0.27 3.07 0.02 -0.91 -0.03 113.55 117.26 3jpo h SER 95 Ca 0.33 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3jpo h SER 95 Cb -0.11 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 3jpo h SER 95 CO -0.07 0.67 0.04 0.28 -1.14 0.00 0.00 176.83 176.61 3jpo h SER 96 N 0.50 0.44 -0.59 3.07 0.02 -0.05 -0.66 113.55 116.28 3jpo h SER 96 Ca 0.13 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3jpo h SER 96 Cb 0.30 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3jpo h SER 96 CO 0.00 0.60 0.19 0.40 -1.14 0.00 0.00 176.83 176.88 3jpo h ILE 97 N 0.27 1.24 -0.25 3.27 2.04 -0.76 -0.58 117.51 122.73 3jpo h ILE 97 Ca 0.08 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3jpo h ILE 97 Cb 0.35 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3jpo h ILE 97 CO 0.01 0.30 0.16 0.78 0.00 0.00 0.00 178.15 179.40 3jpo h ASN 98 N 0.83 0.29 0.39 1.72 2.35 -0.86 -2.45 115.58 117.84 3jpo h ASN 98 Ca 0.19 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3jpo h ASN 98 Cb 0.27 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3jpo h ASN 98 CO -0.01 0.22 -0.19 0.15 -1.65 0.00 0.00 177.43 175.95 3jpo h PHE 99 N 0.33 -0.51 -0.88 1.19 3.57 -0.83 -3.03 116.94 116.78 3jpo h PHE 99 Ca 0.09 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.73 3jpo h PHE 99 Cb -0.02 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 3jpo h PHE 99 CO -0.06 -0.31 0.57 -0.07 -2.23 0.00 0.00 178.31 176.21 3jpo h LEU 100 N -0.53 0.60 -0.80 0.59 3.38 -1.02 0.95 115.31 118.48 3jpo h LEU 100 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3jpo h LEU 100 Cb 0.42 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3jpo h LEU 100 CO 0.08 0.29 0.00 0.35 0.09 0.00 0.00 178.44 179.25 3jpo n THR 101 N -4.56 1.13 0.51 0.22 -2.24 -0.93 -1.47 114.28 106.94 3jpo n THR 101 Ca 0.18 0.48 0.12 0.00 -2.27 0.00 0.00 64.05 62.55 3jpo n THR 101 Cb 0.51 -1.43 0.46 0.00 -2.10 0.00 0.00 70.33 67.77 3jpo n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jpo n ARG 102 N -2.04 0.19 -2.78 -0.78 1.74 0.33 -4.64 116.66 108.68 3jpo n ARG 102 Ca 0.01 0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 56.99 3jpo n ARG 102 Cb 0.11 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.71 3jpo n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jpo s VAL 103 N -3.21 4.85 0.19 1.55 1.01 -0.54 -4.98 120.40 119.27 3jpo s VAL 103 Ca 0.07 1.88 -0.32 0.00 0.00 0.00 0.00 61.98 63.61 3jpo s VAL 103 Cb 0.11 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 3jpo s VAL 103 CO 0.45 0.07 1.75 -0.24 0.00 0.00 0.00 175.10 177.12 3jpo n SER 104 N 4.72 4.01 0.00 3.32 2.88 -1.26 -1.52 113.62 125.76 3jpo n SER 104 Ca 0.06 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3jpo n SER 104 Cb 0.49 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 3jpo n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3jpo n GLY 105 N 4.02 2.83 3.50 0.46 0.00 -1.26 -4.04 105.19 110.71 3jpo n GLY 105 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3jpo n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jpo s ILE 106 N -2.63 5.24 0.10 -0.61 1.01 -0.58 -4.76 121.20 118.98 3jpo s ILE 106 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3jpo s ILE 106 Cb 0.00 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.71 3jpo s ILE 106 CO 0.00 -0.11 0.12 0.61 0.00 0.00 0.00 174.94 175.55 3jpo n GLY 107 N 5.12 2.32 0.26 6.18 0.00 -1.26 -4.29 105.19 113.51 3jpo n GLY 107 Ca -0.12 -2.16 0.02 0.00 0.00 0.00 0.00 46.02 43.76 3jpo n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jpo h PRO 108 N 0.00 0.43 0.38 1.61 0.11 -1.87 0.79 132.00 133.46 3jpo h PRO 108 Ca -0.05 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3jpo h PRO 108 Cb 0.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3jpo h PRO 108 CO 0.08 0.29 -0.18 1.03 -0.21 0.00 0.00 178.00 179.00 3jpo h SER 109 N 0.45 -0.44 -0.81 -2.05 0.87 -1.95 -1.19 113.55 108.43 3jpo h SER 109 Ca 0.36 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.85 3jpo h SER 109 Cb 0.49 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 3jpo h SER 109 CO -0.35 -0.14 0.54 0.00 -0.53 0.00 0.00 176.83 176.35 3jpo h ALA 110 N -0.23 1.51 -0.46 6.23 0.00 -1.90 -0.50 119.26 123.91 3jpo h ALA 110 Ca -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3jpo h ALA 110 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3jpo h ALA 110 CO 0.09 0.40 0.14 0.00 0.00 0.00 0.00 179.25 179.88 3jpo h ALA 111 N 1.53 0.61 -0.17 0.00 0.00 -0.72 -0.61 119.26 119.89 3jpo h ALA 111 Ca 0.33 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3jpo h ALA 111 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3jpo h ALA 111 CO -0.10 0.27 -0.39 -0.09 0.00 0.00 0.00 179.25 178.94 3jpo h ARG 112 N 0.62 0.39 -0.24 0.00 2.43 -0.62 -2.04 114.38 114.91 3jpo h ARG 112 Ca 0.15 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3jpo h ARG 112 Cb 0.28 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3jpo h ARG 112 CO -0.00 0.73 -0.15 -0.22 -1.51 0.00 0.00 179.97 178.81 3jpo h LYS 113 N 0.33 0.53 -0.38 0.20 3.64 -0.83 -1.60 116.57 118.46 3jpo h LYS 113 Ca 0.03 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3jpo h LYS 113 Cb 0.84 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3jpo h LYS 113 CO 0.07 0.81 0.24 0.74 -2.27 0.00 0.00 179.45 179.04 3jpo h PHE 114 N 0.24 0.49 -0.21 1.91 0.04 -1.03 -0.87 116.94 117.52 3jpo h PHE 114 Ca 0.05 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.83 3jpo h PHE 114 Cb 0.67 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3jpo h PHE 114 CO 0.07 0.33 0.14 0.28 -0.60 0.00 0.00 178.31 178.53 3jpo h VAL 115 N 0.50 1.03 -0.04 -0.55 2.07 -1.15 0.15 116.25 118.26 3jpo h VAL 115 Ca 0.14 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 3jpo h VAL 115 Cb -0.02 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3jpo h VAL 115 CO -0.03 0.05 -0.37 0.44 0.02 0.00 0.00 177.57 177.68 3jpo h ASP 116 N 0.25 0.08 -0.02 0.57 5.19 -0.17 -2.47 116.42 119.84 3jpo h ASP 116 Ca 0.08 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3jpo h ASP 116 Cb 0.02 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3jpo h ASP 116 CO -0.02 0.45 0.00 -0.62 -3.12 0.00 0.00 179.24 175.93 3jpo n GLU 117 N -4.08 1.55 -0.09 3.56 1.02 0.36 -4.91 120.64 118.05 3jpo n GLU 117 Ca -0.02 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 3jpo n GLU 117 Cb 0.42 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 3jpo n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jpo n GLY 118 N 1.14 0.63 3.53 0.62 0.00 -0.76 -5.02 105.19 105.32 3jpo n GLY 118 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3jpo n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jpo s ILE 119 N -2.30 4.28 0.00 -0.61 1.01 -0.30 -4.81 121.20 118.46 3jpo s ILE 119 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3jpo s ILE 119 Cb 0.00 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.86 3jpo s ILE 119 CO 0.00 -1.24 0.28 0.29 0.00 0.00 0.00 174.94 174.27 3jpo n LYS 120 N 7.78 -0.06 -4.33 2.79 4.76 -1.26 -2.69 118.16 125.14 3jpo n LYS 120 Ca 0.02 -0.32 -0.17 0.00 -2.87 0.00 0.00 58.31 54.97 3jpo n LYS 120 Cb 0.48 -0.68 -0.10 0.00 -1.84 0.00 0.00 35.03 32.88 3jpo n LYS 120 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3jpo s THR 121 N -0.07 0.55 0.20 -0.18 -4.23 -1.26 -4.80 115.64 105.84 3jpo s THR 121 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 3jpo s THR 121 Cb 0.00 -2.62 0.13 0.00 1.34 0.00 0.00 72.50 71.34 3jpo s THR 121 CO 0.00 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.16 3jpo h LEU 122 N 2.34 0.85 -0.97 4.79 5.85 -2.00 -1.50 115.31 124.67 3jpo h LEU 122 Ca -0.38 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 3jpo h LEU 122 Cb 1.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3jpo h LEU 122 CO 0.60 0.67 0.47 -0.08 -0.34 0.00 0.00 178.44 179.76 3jpo h GLU 123 N 0.95 1.19 -0.66 1.25 4.81 -1.99 -1.90 114.58 118.23 3jpo h GLU 123 Ca 0.25 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3jpo h GLU 123 Cb -0.01 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 3jpo h GLU 123 CO -0.05 0.87 0.26 -0.44 -0.73 0.00 0.00 179.01 178.93 3jpo h ASP 124 N 1.20 0.91 -0.55 1.04 3.32 -1.73 -2.70 116.42 117.92 3jpo h ASP 124 Ca 0.30 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3jpo h ASP 124 Cb 0.02 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3jpo h ASP 124 CO -0.05 0.84 0.11 -0.07 -1.72 0.00 0.00 179.24 178.35 3jpo h LEU 125 N 0.93 0.85 -1.50 1.55 3.38 -0.94 -2.92 115.31 116.67 3jpo h LEU 125 Ca 0.22 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3jpo h LEU 125 Cb 0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3jpo h LEU 125 CO -0.02 0.88 0.34 0.03 0.09 0.00 0.00 178.44 179.76 3jpo h ARG 126 N 0.79 0.67 -0.51 1.13 3.08 -1.17 -0.88 114.38 117.49 3jpo h ARG 126 Ca 0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3jpo h ARG 126 Cb 0.38 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3jpo h ARG 126 CO 0.01 0.44 0.00 0.36 -1.07 0.00 0.00 179.97 179.71 3jpo n LYS 127 N -4.46 2.30 -1.08 0.04 2.85 -1.04 -3.92 118.16 112.86 3jpo n LYS 127 Ca 0.05 -1.61 0.03 0.00 -1.05 0.00 0.00 58.31 55.72 3jpo n LYS 127 Cb 0.05 -1.48 0.04 0.00 -0.65 0.00 0.00 35.03 32.98 3jpo n LYS 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3jpo n ASN 128 N 0.66 0.83 -0.33 -5.58 3.02 -0.37 -4.88 115.26 108.61 3jpo n ASN 128 Ca 0.15 -2.21 0.21 0.00 -0.03 0.00 0.00 54.58 52.70 3jpo n ASN 128 Cb 0.47 -0.30 0.46 0.00 -0.61 0.00 0.00 39.78 39.81 3jpo n ASN 128 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3jpo h GLU 129 N 0.67 0.45 -0.33 3.52 5.08 -1.58 0.15 114.58 122.55 3jpo h GLU 129 Ca -0.13 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.29 3jpo h GLU 129 Cb 1.64 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 3jpo h GLU 129 CO 0.06 0.30 0.36 0.38 -1.00 0.00 0.00 179.01 179.10 3jpo h ASP 130 N 0.46 0.00 -0.14 1.42 2.03 -1.90 0.13 116.42 118.42 3jpo h ASP 130 Ca 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.91 3jpo h ASP 130 Cb 1.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 3jpo h ASP 130 CO -0.36 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.14 3jpo n LYS 131 N -3.75 1.73 -4.06 4.15 5.02 0.54 -4.90 118.16 116.89 3jpo n LYS 131 Ca 0.05 -1.09 -0.32 0.00 -2.02 0.00 0.00 58.31 54.93 3jpo n LYS 131 Cb 0.52 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 3jpo n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jpo s LEU 132 N -1.64 3.89 0.00 -0.35 1.43 0.44 -5.12 118.68 117.32 3jpo s LEU 132 Ca 0.33 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 3jpo s LEU 132 Cb 0.18 -2.43 0.20 0.00 0.03 0.00 0.00 46.19 44.18 3jpo s LEU 132 CO 0.28 0.22 1.20 -0.46 0.23 0.00 0.00 176.35 177.81 3jpo n ASN 133 N 0.78 0.20 0.14 2.29 0.23 -1.26 -4.78 115.26 112.87 3jpo n ASN 133 Ca -0.10 -1.50 -0.13 0.00 -0.53 0.00 0.00 54.58 52.31 3jpo n ASN 133 Cb 0.52 -0.91 -0.06 0.00 -2.08 0.00 0.00 39.78 37.25 3jpo n ASN 133 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 3jpo h HIS 134 N -1.61 -0.70 -0.28 -2.53 -0.00 -1.97 -1.44 115.15 106.62 3jpo h HIS 134 Ca -0.39 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.04 3jpo h HIS 134 Cb 1.10 0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 28.74 3jpo h HIS 134 CO 0.00 -0.37 -0.04 1.25 -0.00 0.00 0.00 177.93 178.76 3jpo h HIS 135 N -0.51 -0.10 -0.35 5.26 -0.00 -1.89 -1.86 115.15 115.70 3jpo h HIS 135 Ca 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3jpo h HIS 135 Cb 0.51 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 3jpo h HIS 135 CO -0.21 -0.09 0.17 1.96 -0.00 0.00 0.00 177.93 179.76 3jpo h GLN 136 N 0.03 0.48 -0.48 5.26 4.20 -1.66 -1.30 115.11 121.64 3jpo h GLN 136 Ca 0.13 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 3jpo h GLN 136 Cb 0.20 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3jpo h GLN 136 CO -0.26 0.37 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.12 3jpo h ARG 137 N 0.49 0.88 -0.17 1.46 2.43 -0.48 -1.87 114.38 117.12 3jpo h ARG 137 Ca 0.12 -0.31 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 3jpo h ARG 137 Cb 0.05 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3jpo h ARG 137 CO -0.02 0.95 -0.51 0.82 -1.51 0.00 0.00 179.97 179.70 3jpo h ILE 138 N 0.73 1.32 -0.33 1.20 1.08 -0.94 -1.48 117.51 119.10 3jpo h ILE 138 Ca 0.13 -1.74 -0.06 0.00 -0.39 0.00 0.00 64.86 62.80 3jpo h ILE 138 Cb 0.59 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 3jpo h ILE 138 CO 0.04 0.54 -0.05 1.23 -0.69 0.00 0.00 178.15 179.21 3jpo h GLY 139 N 1.14 0.57 0.90 5.37 0.00 -1.12 -2.01 103.07 107.91 3jpo h GLY 139 Ca 0.02 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 3jpo h GLY 139 CO 0.09 0.33 -0.46 -2.00 0.00 0.00 0.00 176.54 174.51 3jpo h LEU 140 N 0.50 0.65 -0.52 3.11 5.85 -1.15 -1.31 115.31 122.43 3jpo h LEU 140 Ca 0.10 -0.60 0.09 0.00 0.84 0.00 0.00 57.88 58.31 3jpo h LEU 140 Cb 0.40 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 3jpo h LEU 140 CO 0.02 1.14 0.11 0.50 -0.34 0.00 0.00 178.44 179.87 3jpo h LYS 141 N 0.19 0.25 -0.55 1.25 3.64 -0.91 -2.28 116.57 118.15 3jpo h LYS 141 Ca -0.02 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 3jpo h LYS 141 Cb 1.08 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.77 3jpo h LYS 141 CO 0.10 0.16 0.13 0.66 -2.27 0.00 0.00 179.45 178.23 3jpo n TYR 142 N -5.11 1.86 -0.24 1.91 4.01 -0.79 -4.73 117.16 114.07 3jpo n TYR 142 Ca 0.06 -1.13 -0.08 0.00 -0.16 0.00 0.00 57.90 56.59 3jpo n TYR 142 Cb 0.26 -0.55 -0.04 0.00 -0.31 0.00 0.00 39.34 38.70 3jpo n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3jpo h PHE 143 N 2.35 -1.36 -0.26 -0.72 3.57 -0.62 -0.54 116.94 119.36 3jpo h PHE 143 Ca 0.17 0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.79 3jpo h PHE 143 Cb 1.99 0.69 -0.03 0.00 2.79 0.00 0.00 35.95 41.39 3jpo h PHE 143 CO 1.03 -0.42 0.06 0.78 -2.23 0.00 0.00 178.31 177.54 3jpo h GLY 144 N -0.19 0.30 0.98 2.40 0.00 -1.85 -3.10 103.07 101.61 3jpo h GLY 144 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.50 3jpo h GLY 144 CO -0.74 0.00 0.24 -0.55 0.00 0.00 0.00 176.54 175.49 3jpo h ASP 145 N 0.16 0.41 0.21 0.19 3.32 -1.63 -2.48 116.42 116.60 3jpo h ASP 145 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3jpo h ASP 145 Cb 0.11 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3jpo h ASP 145 CO -0.15 0.30 0.00 0.49 -1.72 0.00 0.00 179.24 178.16 3jpo n PHE 146 N -4.84 0.18 0.12 4.55 3.72 -0.30 -0.93 117.46 119.96 3jpo n PHE 146 Ca 0.00 0.08 0.10 0.00 -0.05 0.00 0.00 57.45 57.59 3jpo n PHE 146 Cb 0.03 -0.63 0.03 0.00 -0.94 0.00 0.00 39.48 37.97 3jpo n PHE 146 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3jpo h GLU 147 N 0.00 0.00 -7.18 -1.08 4.39 -1.42 -3.47 114.58 105.82 3jpo h GLU 147 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 3jpo h GLU 147 Cb 0.10 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.80 3jpo h GLU 147 CO 0.00 0.03 0.38 0.15 -1.16 0.00 0.00 179.01 178.41 3jpo s LYS 148 N -3.29 3.54 0.53 2.33 1.02 -0.10 -5.06 119.74 118.71 3jpo s LYS 148 Ca 0.01 1.15 -0.06 0.00 0.02 0.00 0.00 55.97 57.09 3jpo s LYS 148 Cb 0.08 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 3jpo s LYS 148 CO 0.77 -0.62 0.84 1.03 -0.92 0.00 0.00 175.35 176.44 3jpo s ARG 149 N -3.99 3.28 -0.23 1.68 1.81 -1.26 -4.87 118.95 115.37 3jpo s ARG 149 Ca 0.63 0.12 -0.02 0.00 -1.72 0.00 0.00 55.73 54.73 3jpo s ARG 149 Cb -0.14 -2.33 0.01 0.00 -0.45 0.00 0.00 34.95 32.04 3jpo s ARG 149 CO 0.34 -0.42 -0.07 0.42 -0.68 0.00 0.00 175.30 174.89 3jpo s ILE 150 N -2.85 2.97 0.47 1.52 1.01 0.93 -4.94 121.20 120.31 3jpo s ILE 150 Ca 0.50 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 3jpo s ILE 150 Cb -0.10 -2.43 -0.07 0.00 0.01 0.00 0.00 42.46 39.87 3jpo s ILE 150 CO 0.45 0.31 1.30 -2.84 0.00 0.00 0.00 174.94 174.17 3jpo s PRO 151 N 1.38 3.62 0.43 2.79 0.02 -1.26 -0.35 135.00 141.63 3jpo s PRO 151 Ca 0.03 2.12 0.14 0.00 0.02 0.00 0.00 61.00 63.31 3jpo s PRO 151 Cb -0.15 -2.50 1.03 0.00 0.02 0.00 0.00 34.50 32.89 3jpo s PRO 151 CO -0.05 -0.77 1.96 -0.09 -0.33 0.00 0.00 177.00 177.72 3jpo h ARG 152 N 2.10 0.41 -0.95 5.54 2.43 -1.48 0.51 114.38 122.94 3jpo h ARG 152 Ca -0.50 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 3jpo h ARG 152 Cb 1.27 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3jpo h ARG 152 CO 0.60 0.27 0.63 1.49 -1.51 0.00 0.00 179.97 181.45 3jpo h GLU 153 N 0.43 1.19 -0.12 0.20 4.81 -1.90 0.78 114.58 119.98 3jpo h GLU 153 Ca 0.31 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.29 3jpo h GLU 153 Cb 0.65 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3jpo h GLU 153 CO -0.09 0.79 -0.67 0.93 -0.73 0.00 0.00 179.01 179.24 3jpo h GLU 154 N 1.23 0.48 -0.90 1.92 5.08 -1.30 -2.70 114.58 118.38 3jpo h GLU 154 Ca 0.37 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3jpo h GLU 154 Cb -0.04 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3jpo h GLU 154 CO -0.10 0.98 0.56 0.52 -1.00 0.00 0.00 179.01 179.96 3jpo h MET 155 N 0.34 1.22 -0.68 2.33 2.86 -0.19 0.18 114.93 120.99 3jpo h MET 155 Ca -0.02 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3jpo h MET 155 Cb 1.24 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 3jpo h MET 155 CO 0.12 0.85 0.36 -0.07 1.06 0.00 0.00 176.91 179.23 3jpo h LEU 156 N 1.24 0.85 -0.68 1.22 3.38 -0.73 0.20 115.31 120.79 3jpo h LEU 156 Ca 0.33 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 3jpo h LEU 156 Cb -0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3jpo h LEU 156 CO -0.06 0.71 -0.10 1.56 0.09 0.00 0.00 178.44 180.63 3jpo h GLN 157 N 0.93 0.92 -0.55 1.13 4.20 -1.10 -1.66 115.11 118.98 3jpo h GLN 157 Ca 0.24 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3jpo h GLN 157 Cb 0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3jpo h GLN 157 CO -0.04 0.97 0.19 0.52 -0.67 0.00 0.00 178.83 179.80 3jpo h MET 158 N 0.82 0.84 -0.67 1.46 2.86 -0.37 -2.21 114.93 117.67 3jpo h MET 158 Ca 0.13 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3jpo h MET 158 Cb 0.63 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 3jpo h MET 158 CO 0.04 0.76 0.43 0.37 1.06 0.00 0.00 176.91 179.57 3jpo h GLN 159 N 0.76 0.90 -0.35 1.72 4.15 -0.44 -1.34 115.11 120.50 3jpo h GLN 159 Ca 0.18 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.58 3jpo h GLN 159 Cb 0.26 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 3jpo h GLN 159 CO -0.01 0.62 0.09 0.22 -1.93 0.00 0.00 178.83 177.82 3jpo h ASP 160 N 0.91 0.07 0.04 -0.69 -0.00 -0.95 0.28 116.42 116.07 3jpo h ASP 160 Ca 0.24 0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.32 3jpo h ASP 160 Cb -0.07 0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.32 3jpo h ASP 160 CO -0.05 0.07 -0.02 0.40 -0.00 0.00 0.00 179.24 179.65 3jpo h ILE 161 N 0.23 1.15 -0.03 2.25 2.04 -1.16 -2.38 117.51 119.62 3jpo h ILE 161 Ca 0.16 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3jpo h ILE 161 Cb 0.17 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3jpo h ILE 161 CO -0.19 0.15 -0.00 0.58 0.00 0.00 0.00 178.15 178.69 3jpo h VAL 162 N -0.31 0.98 -0.60 1.67 2.07 -0.99 -0.10 116.25 118.97 3jpo h VAL 162 Ca -0.00 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3jpo h VAL 162 Cb 0.29 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3jpo h VAL 162 CO 0.01 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.80 3jpo h LEU 163 N 0.01 0.80 -0.52 2.57 4.07 -1.01 -1.39 115.31 119.85 3jpo h LEU 163 Ca 0.01 -0.15 -0.10 0.00 0.08 0.00 0.00 57.88 57.73 3jpo h LEU 163 Cb 0.02 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 3jpo h LEU 163 CO -0.02 0.73 -0.05 0.78 -1.08 0.00 0.00 178.44 178.79 3jpo h ASN 164 N 0.82 0.94 -0.38 -0.43 2.35 -1.28 -1.12 115.58 116.48 3jpo h ASN 164 Ca 0.20 -0.33 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 3jpo h ASN 164 Cb 0.16 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3jpo h ASN 164 CO -0.02 1.05 -0.16 -0.33 -1.65 0.00 0.00 177.43 176.31 3jpo h GLU 165 N 0.81 0.85 -0.52 0.81 4.39 -0.90 -1.59 114.58 118.44 3jpo h GLU 165 Ca 0.14 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 3jpo h GLU 165 Cb 0.60 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 3jpo h GLU 165 CO 0.04 0.95 0.20 0.28 -1.16 0.00 0.00 179.01 179.32 3jpo h VAL 166 N 0.76 1.22 -0.43 3.13 2.07 -1.14 -2.17 116.25 119.69 3jpo h VAL 166 Ca 0.11 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3jpo h VAL 166 Cb 0.68 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3jpo h VAL 166 CO 0.05 0.26 0.28 0.50 0.02 0.00 0.00 177.57 178.68 3jpo h LYS 167 N 0.70 0.56 0.00 1.57 3.64 -0.82 -1.84 116.57 120.38 3jpo h LYS 167 Ca 0.17 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3jpo h LYS 167 Cb 0.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3jpo h LYS 167 CO -0.01 0.37 -0.36 0.87 -2.27 0.00 0.00 179.45 178.04 3jpo h LYS 168 N 0.57 0.00 0.00 1.90 1.57 -0.66 -3.08 116.57 116.88 3jpo h LYS 168 Ca 0.16 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3jpo h LYS 168 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3jpo h LYS 168 CO -0.03 0.36 -0.22 0.28 -0.57 0.00 0.00 179.45 179.26 3jpo h VAL 169 N 0.00 1.57 -1.88 0.50 2.07 -1.04 -3.46 116.25 114.01 3jpo h VAL 169 Ca -0.00 -1.97 0.08 0.00 0.82 0.00 0.00 66.70 65.63 3jpo h VAL 169 Cb 0.78 2.82 -0.21 0.00 -1.52 0.00 0.00 31.29 33.16 3jpo h VAL 169 CO 0.05 0.53 -0.06 -0.62 0.02 0.00 0.00 177.57 177.50 3jpo s ASP 170 N -6.29 -1.04 0.37 0.57 -1.08 -0.96 -5.03 116.67 103.21 3jpo s ASP 170 Ca -0.16 1.47 0.26 0.00 -0.52 0.00 0.00 52.55 53.60 3jpo s ASP 170 Cb 0.00 2.07 1.34 0.00 -1.46 0.00 0.00 42.92 44.87 3jpo s ASP 170 CO 0.73 -0.21 1.79 0.77 0.52 0.00 0.00 175.17 178.78 3jpo h SER 171 N 7.74 0.00 0.43 -0.34 4.64 -1.79 -2.15 113.55 122.08 3jpo h SER 171 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3jpo h SER 171 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3jpo h SER 171 CO 0.11 0.00 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.34 3jpo n GLU 172 N -2.42 0.58 -2.56 4.77 1.02 -1.26 -4.86 120.64 115.91 3jpo n GLU 172 Ca -0.01 -0.18 -0.34 0.00 -0.02 0.00 0.00 57.16 56.61 3jpo n GLU 172 Cb 0.09 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 3jpo n GLU 172 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3jpo s TYR 173 N -2.55 3.01 -0.13 -0.32 2.02 -0.81 -4.35 117.35 114.22 3jpo s TYR 173 Ca 0.27 1.58 -0.02 0.00 -0.37 0.00 0.00 57.07 58.53 3jpo s TYR 173 Cb 0.20 -3.06 0.04 0.00 -0.40 0.00 0.00 41.96 38.74 3jpo s TYR 173 CO 0.49 -0.80 -0.00 0.42 -1.57 0.00 0.00 175.55 174.09 3jpo s ILE 174 N -1.99 0.61 -0.16 2.71 1.01 -0.77 -4.89 121.20 117.73 3jpo s ILE 174 Ca 0.67 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 3jpo s ILE 174 Cb -0.16 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3jpo s ILE 174 CO 0.20 0.10 -0.03 0.00 0.00 0.00 0.00 174.94 175.20 3jpo s ALA 175 N 1.85 3.04 -0.12 9.38 0.00 -1.26 -1.89 121.76 132.76 3jpo s ALA 175 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3jpo s ALA 175 Cb -0.14 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.41 3jpo s ALA 175 CO -0.07 0.21 -0.13 0.99 0.00 0.00 0.00 175.76 176.76 3jpo s THR 176 N 0.36 1.40 -0.14 0.00 2.01 0.31 -4.95 115.64 114.63 3jpo s THR 176 Ca -0.04 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 3jpo s THR 176 Cb -0.14 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 3jpo s THR 176 CO 0.03 0.43 1.01 -0.69 -0.69 0.00 0.00 174.62 174.71 3jpo s VAL 177 N 1.32 4.76 0.00 3.82 1.01 -1.26 -0.25 120.40 129.80 3jpo s VAL 177 Ca -0.00 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.01 3jpo s VAL 177 Cb -0.14 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3jpo s VAL 177 CO -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.00 3jpo n GLY 179 N 5.00 0.96 0.30 0.00 0.00 0.89 -2.48 105.19 109.85 3jpo n GLY 179 Ca 0.00 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.40 3jpo n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jpo h SER 180 N 2.80 0.00 -0.18 1.61 4.64 -1.88 -2.19 113.55 118.35 3jpo h SER 180 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jpo h SER 180 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3jpo h SER 180 CO 0.00 0.00 0.11 0.15 -0.87 0.00 0.00 176.83 176.22 3jpo h PHE 181 N 0.00 0.24 0.00 4.77 3.57 -1.84 -1.20 116.94 122.48 3jpo h PHE 181 Ca 0.04 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3jpo h PHE 181 Cb 0.18 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3jpo h PHE 181 CO 0.00 0.19 -0.16 -0.09 -2.23 0.00 0.00 178.31 176.02 3jpo h ARG 182 N 0.22 0.00 -0.00 1.11 2.43 -1.08 -1.19 114.38 115.87 3jpo h ARG 182 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3jpo h ARG 182 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3jpo h ARG 182 CO -0.01 0.16 0.00 0.54 -1.51 0.00 0.00 179.97 179.15 3jpo n ARG 183 N -3.60 1.04 -0.73 0.20 1.74 -0.80 -4.54 116.66 109.97 3jpo n ARG 183 Ca -0.01 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3jpo n ARG 183 Cb 0.30 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3jpo n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jpo n GLY 184 N 0.96 0.61 3.75 -0.13 0.00 -0.45 -3.75 105.19 106.18 3jpo n GLY 184 Ca 0.21 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3jpo n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jpo n ALA 185 N 0.20 1.80 0.68 4.61 0.00 -0.52 -4.90 120.51 122.38 3jpo n ALA 185 Ca 0.00 0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.78 3jpo n ALA 185 Cb 0.00 -2.36 0.47 0.00 0.00 0.00 0.00 19.45 17.56 3jpo n ALA 185 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jpo n GLU 186 N -0.37 0.16 -3.63 0.00 -0.58 -1.26 -4.74 120.64 110.21 3jpo n GLU 186 Ca 0.07 0.19 -0.15 0.00 -0.42 0.00 0.00 57.16 56.85 3jpo n GLU 186 Cb 0.42 -1.70 -0.07 0.00 -0.57 0.00 0.00 31.44 29.51 3jpo n GLU 186 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3jpo s SER 187 N -3.93 -0.42 0.10 1.62 1.04 -1.26 -1.27 113.70 109.58 3jpo s SER 187 Ca 0.10 0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.94 3jpo s SER 187 Cb 0.13 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3jpo s SER 187 CO 0.52 -0.56 -0.14 -0.44 0.98 0.00 0.00 173.24 173.60 3jpo s SER 188 N -1.39 1.81 0.41 7.02 0.01 0.53 -4.89 113.70 117.20 3jpo s SER 188 Ca -0.11 -0.74 0.22 0.00 1.31 0.00 0.00 55.95 56.63 3jpo s SER 188 Cb -0.02 -0.05 0.35 0.00 0.21 0.00 0.00 66.02 66.51 3jpo s SER 188 CO 0.06 -0.14 1.60 1.23 0.41 0.00 0.00 173.24 176.40 3jpo h GLY 189 N 3.81 0.00 -0.94 3.44 0.00 -1.89 0.27 103.07 107.76 3jpo h GLY 189 Ca -0.40 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.03 3jpo h GLY 189 CO 0.47 0.00 0.38 2.09 0.00 0.00 0.00 176.54 179.48 3jpo n ASP 190 N -3.14 -1.22 -4.40 0.19 5.68 -1.26 -4.71 116.55 107.69 3jpo n ASP 190 Ca 0.03 -1.66 -0.33 0.00 -0.50 0.00 0.00 54.79 52.33 3jpo n ASP 190 Cb 0.56 1.99 -0.14 0.00 -1.14 0.00 0.00 41.12 42.39 3jpo n ASP 190 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3jpo s MET 191 N -2.04 3.45 -0.19 0.11 -2.45 -1.00 -4.90 119.30 112.28 3jpo s MET 191 Ca 0.15 -0.65 -0.01 0.00 -1.25 0.00 0.00 55.69 53.94 3jpo s MET 191 Cb -0.02 -2.71 0.01 0.00 1.25 0.00 0.00 34.83 33.36 3jpo s MET 191 CO 0.04 0.21 -0.14 -0.51 1.05 0.00 0.00 175.02 175.67 3jpo s ASP 192 N 0.39 3.64 -0.18 1.11 1.01 -1.26 -1.76 116.67 119.61 3jpo s ASP 192 Ca -0.09 -0.52 0.00 0.00 0.71 0.00 0.00 52.55 52.65 3jpo s ASP 192 Cb -0.15 -1.59 0.01 0.00 1.01 0.00 0.00 42.92 42.20 3jpo s ASP 192 CO 0.05 0.01 -0.17 -0.69 0.21 0.00 0.00 175.17 174.58 3jpo s VAL 193 N 1.26 2.36 -0.06 -1.27 1.01 -0.10 0.04 120.40 123.64 3jpo s VAL 193 Ca 0.03 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3jpo s VAL 193 Cb -0.14 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3jpo s VAL 193 CO -0.07 0.52 0.37 -0.22 0.00 0.00 0.00 175.10 175.70 3jpo s LEU 194 N 1.27 4.40 -0.02 3.92 2.96 0.65 -0.94 118.68 130.93 3jpo s LEU 194 Ca 0.04 0.82 0.04 0.00 -0.22 0.00 0.00 54.13 54.81 3jpo s LEU 194 Cb -0.14 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 3jpo s LEU 194 CO -0.10 0.25 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.83 3jpo s LEU 195 N -0.57 1.98 0.07 -0.68 2.96 0.58 -0.53 118.68 122.50 3jpo s LEU 195 Ca 0.22 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3jpo s LEU 195 Cb -0.15 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 3jpo s LEU 195 CO 0.10 0.15 -0.06 0.42 -1.32 0.00 0.00 176.35 175.65 3jpo s THR 196 N -0.22 0.55 -0.15 3.68 -4.23 -0.79 -1.29 115.64 113.18 3jpo s THR 196 Ca 0.03 -1.63 -0.13 0.00 -1.18 0.00 0.00 61.69 58.79 3jpo s THR 196 Cb -0.06 -1.29 0.04 0.00 1.34 0.00 0.00 72.50 72.53 3jpo s THR 196 CO -0.00 -0.74 0.39 -2.28 -0.54 0.00 0.00 174.62 171.45 3jpo s HIS 197 N -2.95 -0.46 0.57 3.99 2.46 -1.26 -1.84 115.29 115.80 3jpo s HIS 197 Ca 0.04 1.08 0.27 0.00 0.47 0.00 0.00 55.06 56.92 3jpo s HIS 197 Cb 0.01 0.17 1.53 0.00 -0.13 0.00 0.00 32.58 34.15 3jpo s HIS 197 CO -0.04 -0.23 2.03 -1.00 -2.47 0.00 0.00 174.74 173.03 3jpo h PRO 198 N 5.85 0.00 0.00 2.88 0.13 -1.99 -1.74 132.00 137.13 3jpo h PRO 198 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3jpo h PRO 198 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3jpo h PRO 198 CO 0.27 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.91 3jpo n SER 199 N -3.97 0.00 -3.93 1.44 3.41 -1.26 -4.52 113.62 104.79 3jpo n SER 199 Ca 0.05 -0.49 -0.31 0.00 -0.26 0.00 0.00 58.87 57.86 3jpo n SER 199 Cb 0.46 -0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 3jpo n SER 199 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3jpo s PHE 200 N -2.29 2.96 0.42 7.33 5.36 -0.65 -0.78 117.98 130.32 3jpo s PHE 200 Ca 0.34 -2.42 0.03 0.00 -0.96 0.00 0.00 56.93 53.93 3jpo s PHE 200 Cb 0.19 -2.32 -0.03 0.00 -0.34 0.00 0.00 43.02 40.52 3jpo s PHE 200 CO 0.37 -0.90 0.09 0.95 -1.46 0.00 0.00 175.22 174.27 3jpo s THR 201 N 1.19 0.85 0.24 0.12 -4.23 -0.28 -1.10 115.64 112.44 3jpo s THR 201 Ca 0.07 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.89 3jpo s THR 201 Cb -0.19 -2.40 0.35 0.00 1.34 0.00 0.00 72.50 71.60 3jpo s THR 201 CO -0.12 0.00 2.02 0.77 -0.54 0.00 0.00 174.62 176.75 3jpo h SER 202 N 1.75 0.00 0.75 3.99 4.64 -1.96 -2.81 113.55 119.91 3jpo h SER 202 Ca -0.38 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.68 3jpo h SER 202 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3jpo h SER 202 CO 0.63 0.07 -1.23 -0.08 -0.87 0.00 0.00 176.83 175.35 3jpo h GLU 203 N 0.00 0.12 -1.67 4.77 4.57 -2.00 -3.49 114.58 116.88 3jpo h GLU 203 Ca -0.00 -0.21 0.24 0.00 -1.18 0.00 0.00 59.36 58.21 3jpo h GLU 203 Cb 0.46 0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 28.98 3jpo h GLU 203 CO 0.01 1.04 0.74 -1.54 -1.18 0.00 0.00 179.01 178.08 3jpo s SER 204 N -6.83 -0.16 -0.34 1.04 1.04 -1.06 -5.10 113.70 102.30 3jpo s SER 204 Ca -0.03 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.37 3jpo s SER 204 Cb 0.08 0.22 0.10 0.00 0.10 0.00 0.00 66.02 66.52 3jpo s SER 204 CO 0.85 -0.37 0.04 -0.89 0.98 0.00 0.00 173.24 173.85 3jpo s THR 205 N -2.61 2.35 -1.22 2.02 2.01 -1.26 -1.12 115.64 115.82 3jpo s THR 205 Ca 0.10 -2.24 0.26 0.00 0.31 0.00 0.00 61.69 60.12 3jpo s THR 205 Cb 0.00 -2.69 0.09 0.00 0.01 0.00 0.00 72.50 69.92 3jpo s THR 205 CO -0.05 -0.54 1.47 0.29 -0.69 0.00 0.00 174.62 175.11 3jpo n LYS 206 N 4.30 0.24 -3.74 4.92 5.02 0.04 -4.83 118.16 124.11 3jpo n LYS 206 Ca 0.01 -0.14 -0.15 0.00 -2.02 0.00 0.00 58.31 56.01 3jpo n LYS 206 Cb 0.42 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.78 3jpo n LYS 206 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3jpo s GLN 207 N -2.85 0.03 0.68 1.97 -0.21 -1.26 -5.09 119.66 112.92 3jpo s GLN 207 Ca 0.15 0.34 -0.04 0.00 0.02 0.00 0.00 55.36 55.84 3jpo s GLN 207 Cb 0.18 -0.25 0.07 0.00 1.00 0.00 0.00 33.01 34.02 3jpo s GLN 207 CO 0.64 -0.20 0.96 -1.25 -2.12 0.00 0.00 175.29 173.32 3jpo s PRO 208 N 1.40 2.12 -1.99 2.91 0.04 -1.26 -4.31 135.00 133.90 3jpo s PRO 208 Ca -0.06 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.40 3jpo s PRO 208 Cb -0.12 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3jpo s PRO 208 CO -0.05 -1.18 0.00 1.63 0.04 0.00 0.00 177.00 177.44 3jpo n LYS 209 N -2.78 -1.41 -0.18 4.56 5.02 -1.26 -4.86 118.16 117.25 3jpo n LYS 209 Ca 0.10 1.11 -0.03 0.00 -2.02 0.00 0.00 58.31 57.46 3jpo n LYS 209 Cb 0.60 -5.46 0.07 0.00 -0.02 0.00 0.00 35.03 30.22 3jpo n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3jpo h LEU 210 N 0.00 0.31 -0.11 -0.35 3.38 -1.91 0.14 115.31 116.77 3jpo h LEU 210 Ca -0.38 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.46 3jpo h LEU 210 Cb 1.23 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.98 3jpo h LEU 210 CO 0.56 0.21 -0.59 0.25 0.09 0.00 0.00 178.44 178.97 3jpo h LEU 211 N 0.46 0.71 -0.35 1.67 5.85 -1.89 -3.28 115.31 118.47 3jpo h LEU 211 Ca 0.25 -0.65 0.06 0.00 0.84 0.00 0.00 57.88 58.39 3jpo h LEU 211 Cb 0.21 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3jpo h LEU 211 CO -0.21 1.24 -0.01 -0.74 -0.34 0.00 0.00 178.44 178.39 3jpo h HIS 212 N 0.22 -0.03 -0.45 1.25 2.76 -1.76 -1.49 115.15 115.66 3jpo h HIS 212 Ca -0.04 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.24 3jpo h HIS 212 Cb 1.23 0.07 -0.08 0.00 1.55 0.00 0.00 27.41 30.18 3jpo h HIS 212 CO 0.11 -0.07 -0.08 1.96 -1.30 0.00 0.00 177.93 178.54 3jpo h GLN 213 N 0.09 0.03 0.21 5.26 4.20 -0.81 0.27 115.11 124.35 3jpo h GLN 213 Ca 0.17 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3jpo h GLN 213 Cb 0.24 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3jpo h GLN 213 CO -0.29 0.02 -0.10 0.28 -0.67 0.00 0.00 178.83 178.06 3jpo h VAL 214 N 0.03 0.82 -0.49 -0.54 2.07 -1.53 -0.15 116.25 116.46 3jpo h VAL 214 Ca 0.22 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3jpo h VAL 214 Cb 0.33 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3jpo h VAL 214 CO -0.44 0.03 0.11 0.58 0.02 0.00 0.00 177.57 177.87 3jpo h VAL 215 N -0.35 0.74 -0.32 2.57 2.07 -0.67 -1.14 116.25 119.15 3jpo h VAL 215 Ca -0.03 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3jpo h VAL 215 Cb 0.27 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3jpo h VAL 215 CO 0.05 0.05 -0.03 -0.08 0.02 0.00 0.00 177.57 177.57 3jpo h GLU 216 N 0.25 0.05 -0.69 1.57 4.81 -0.22 -0.72 114.58 119.63 3jpo h GLU 216 Ca 0.24 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3jpo h GLU 216 Cb 0.31 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 3jpo h GLU 216 CO -0.31 0.03 0.44 0.37 -0.73 0.00 0.00 179.01 178.82 3jpo h GLN 217 N 0.05 0.86 0.00 1.92 5.75 -0.38 0.37 115.11 123.69 3jpo h GLN 217 Ca 0.16 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 3jpo h GLN 217 Cb 0.22 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3jpo h GLN 217 CO -0.29 0.57 -0.33 -0.07 -2.65 0.00 0.00 178.83 176.05 3jpo h LEU 218 N 0.89 0.00 0.01 -2.39 3.38 -0.51 -2.46 115.31 114.23 3jpo h LEU 218 Ca 0.26 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.96 3jpo h LEU 218 Cb -0.05 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.72 3jpo h LEU 218 CO -0.08 0.33 -1.08 1.56 0.09 0.00 0.00 178.44 179.26 3jpo h GLN 219 N 0.00 0.66 -0.73 1.13 4.20 -0.58 0.36 115.11 120.16 3jpo h GLN 219 Ca -0.00 -0.75 0.13 0.00 0.06 0.00 0.00 58.65 58.08 3jpo h GLN 219 Cb 0.59 0.22 -0.09 0.00 0.30 0.00 0.00 27.48 28.50 3jpo h GLN 219 CO 0.04 1.32 0.30 -0.22 -0.67 0.00 0.00 178.83 179.60 3jpo h LYS 220 N 0.36 0.45 -0.29 1.46 3.64 -0.50 0.14 116.57 121.82 3jpo h LYS 220 Ca -0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3jpo h LYS 220 Cb 1.74 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3jpo h LYS 220 CO 0.21 0.30 0.00 1.33 -2.27 0.00 0.00 179.45 179.02 3jpo n VAL 221 N -4.98 0.37 -1.72 2.00 0.24 -0.97 -4.91 118.33 108.37 3jpo n VAL 221 Ca 0.13 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 3jpo n VAL 221 Cb 0.38 0.14 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 3jpo n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3jpo n HIS 222 N 0.25 -0.24 -0.08 6.34 8.25 0.48 -4.91 115.22 125.30 3jpo n HIS 222 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.39 3jpo n HIS 222 Cb 0.23 -2.75 -0.12 0.00 1.12 0.00 0.00 29.99 28.48 3jpo n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3jpo h PHE 223 N 0.00 0.00 -3.34 4.41 3.57 -1.15 -3.43 116.94 116.99 3jpo h PHE 223 Ca -0.31 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.61 3jpo h PHE 223 Cb 1.05 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 3jpo h PHE 223 CO 0.40 1.09 0.26 0.42 -2.23 0.00 0.00 178.31 178.26 3jpo s ILE 224 N -2.24 4.95 -0.05 1.41 1.01 -0.81 -0.64 121.20 124.83 3jpo s ILE 224 Ca -0.21 1.51 0.11 0.00 0.00 0.00 0.00 60.65 62.06 3jpo s ILE 224 Cb 0.00 -4.08 -0.16 0.00 0.01 0.00 0.00 42.46 38.23 3jpo s ILE 224 CO 0.61 0.10 0.18 0.35 0.00 0.00 0.00 174.94 176.18 3jpo n THR 225 N 4.47 0.26 -3.73 2.92 -2.24 0.11 -4.39 114.28 111.70 3jpo n THR 225 Ca 0.02 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 3jpo n THR 225 Cb 0.50 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 3jpo n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3jpo s ASP 226 N -3.69 -0.14 -0.15 3.42 1.11 -1.19 -4.98 116.67 111.05 3jpo s ASP 226 Ca -0.05 -0.28 0.02 0.00 0.18 0.00 0.00 52.55 52.43 3jpo s ASP 226 Cb 0.06 0.40 0.01 0.00 1.07 0.00 0.00 42.92 44.46 3jpo s ASP 226 CO 0.47 -0.71 -0.20 -0.89 1.18 0.00 0.00 175.17 175.02 3jpo s THR 227 N -3.11 2.00 -0.12 -1.27 2.01 -1.26 -0.72 115.64 113.16 3jpo s THR 227 Ca -0.01 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.91 3jpo s THR 227 Cb 0.01 -1.79 -0.26 0.00 0.01 0.00 0.00 72.50 70.48 3jpo s THR 227 CO -0.07 0.53 0.47 -0.07 -0.69 0.00 0.00 174.62 174.80 3jpo h LEU 228 N 7.58 0.32 -7.05 4.42 3.38 -0.41 -3.46 115.31 120.09 3jpo h LEU 228 Ca -0.37 -0.82 -0.06 0.00 0.09 0.00 0.00 57.88 56.72 3jpo h LEU 228 Cb 1.17 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 3jpo h LEU 228 CO 0.58 1.63 0.15 -0.94 0.09 0.00 0.00 178.44 179.95 3jpo s SER 229 N -6.99 -0.61 -0.23 -0.43 1.04 -0.48 -4.43 113.70 101.57 3jpo s SER 229 Ca -0.22 0.61 -0.11 0.00 0.48 0.00 0.00 55.95 56.72 3jpo s SER 229 Cb 0.05 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.78 3jpo s SER 229 CO 0.74 -0.62 0.54 -0.75 0.98 0.00 0.00 173.24 174.12 3jpo s LYS 230 N -1.38 0.50 0.00 4.02 2.20 -1.26 -0.63 119.74 123.18 3jpo s LYS 230 Ca -0.10 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 3jpo s LYS 230 Cb -0.00 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 3jpo s LYS 230 CO 0.08 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 3jpo n GLY 231 N 4.79 5.68 0.17 5.54 0.00 -0.51 -5.02 105.19 115.84 3jpo n GLY 231 Ca -0.17 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.06 3jpo n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jpo h GLU 232 N 0.00 0.00 0.00 1.61 4.39 -2.01 -3.36 114.58 115.21 3jpo h GLU 232 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3jpo h GLU 232 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3jpo h GLU 232 CO 0.00 0.48 0.00 0.25 -1.16 0.00 0.00 179.01 178.58 3jpo n THR 233 N -3.79 0.00 -3.87 1.13 -2.24 -1.26 -4.46 114.28 99.79 3jpo n THR 233 Ca -0.01 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.18 3jpo n THR 233 Cb 0.52 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.59 3jpo n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3jpo s LYS 234 N -0.76 0.52 -0.08 -0.78 2.20 -1.26 0.25 119.74 119.83 3jpo s LYS 234 Ca 0.00 0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.71 3jpo s LYS 234 Cb 0.00 -0.80 -0.02 0.00 -1.51 0.00 0.00 37.83 35.50 3jpo s LYS 234 CO 0.00 -0.23 -0.12 0.12 -0.36 0.00 0.00 175.35 174.76 3jpo s PHE 235 N 1.58 2.79 -0.19 4.03 5.36 0.38 -1.42 117.98 130.52 3jpo s PHE 235 Ca -0.01 -0.23 -0.02 0.00 -0.96 0.00 0.00 56.93 55.71 3jpo s PHE 235 Cb -0.13 -1.71 0.05 0.00 -0.34 0.00 0.00 43.02 40.90 3jpo s PHE 235 CO -0.03 0.12 0.01 1.41 -1.46 0.00 0.00 175.22 175.27 3jpo s MET 236 N -0.46 0.89 0.00 10.12 -2.45 0.20 -0.92 119.30 126.68 3jpo s MET 236 Ca 0.06 -0.47 0.00 0.00 -1.25 0.00 0.00 55.69 54.03 3jpo s MET 236 Cb -0.12 -2.07 0.00 0.00 1.25 0.00 0.00 34.83 33.89 3jpo s MET 236 CO 0.02 -0.58 0.00 0.41 1.05 0.00 0.00 175.02 175.92 3jpo n GLY 237 N 4.98 3.80 3.21 2.11 0.00 0.47 0.38 105.19 120.14 3jpo n GLY 237 Ca -0.10 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 3jpo n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpo s VAL 238 N -0.95 1.51 0.19 1.61 1.01 0.10 -0.33 120.40 123.55 3jpo s VAL 238 Ca 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 3jpo s VAL 238 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3jpo s VAL 238 CO 0.00 0.29 0.10 0.00 0.00 0.00 0.00 175.10 175.48 3jpo s GLN 240 N -4.09 0.57 0.50 0.00 0.74 0.18 0.05 119.66 117.62 3jpo s GLN 240 Ca 0.34 0.88 -0.20 0.00 0.05 0.00 0.00 55.36 56.43 3jpo s GLN 240 Cb 0.07 0.16 -0.07 0.00 1.10 0.00 0.00 33.01 34.27 3jpo s GLN 240 CO 0.09 -0.12 1.10 -0.51 -0.55 0.00 0.00 175.29 175.31 3jpo s LEU 241 N 0.99 3.84 0.21 3.68 1.43 -1.26 -4.63 118.68 122.94 3jpo s LEU 241 Ca -0.06 2.12 -0.28 0.00 -1.03 0.00 0.00 54.13 54.87 3jpo s LEU 241 Cb -0.06 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.58 3jpo s LEU 241 CO -0.09 -1.00 0.89 -2.16 0.23 0.00 0.00 176.35 174.22 3jpo s PRO 242 N -3.13 4.76 0.32 1.29 0.04 -1.26 -4.47 135.00 132.54 3jpo s PRO 242 Ca 0.69 1.38 0.07 0.00 0.04 0.00 0.00 61.00 63.18 3jpo s PRO 242 Cb -0.22 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 3jpo s PRO 242 CO 0.26 0.52 0.38 -1.54 0.04 0.00 0.00 177.00 176.66 3jpo s SER 243 N -1.10 5.77 0.69 6.66 1.04 -1.26 -4.96 113.70 120.53 3jpo s SER 243 Ca 0.40 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.52 3jpo s SER 243 Cb -0.25 -1.25 0.07 0.00 0.10 0.00 0.00 66.02 64.70 3jpo s SER 243 CO 0.30 -0.33 0.98 -0.54 0.98 0.00 0.00 173.24 174.63 3jpo s LYS 244 N -4.07 2.11 0.29 4.02 1.02 -1.26 -5.00 119.74 116.85 3jpo s LYS 244 Ca 0.41 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 3jpo s LYS 244 Cb -0.08 -2.23 -0.13 0.00 -0.52 0.00 0.00 37.83 34.87 3jpo s LYS 244 CO 0.29 -1.23 1.38 0.09 -0.92 0.00 0.00 175.35 174.96 3jpo n ASN 245 N -2.85 2.92 0.00 2.83 3.02 -1.26 -2.47 115.26 117.46 3jpo n ASN 245 Ca 0.09 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.82 3jpo n ASN 245 Cb 0.60 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 3jpo n ASN 245 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3jpo n ASP 246 N 1.51 0.00 -4.91 6.41 10.43 -1.26 -4.98 116.55 123.75 3jpo n ASP 246 Ca 0.08 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.15 3jpo n ASP 246 Cb 0.34 -1.05 -0.04 0.00 1.84 0.00 0.00 41.12 42.22 3jpo n ASP 246 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3jpo s GLU 247 N -0.15 3.58 0.40 -1.24 -1.05 -1.03 -5.04 118.70 114.16 3jpo s GLU 247 Ca 0.00 -0.18 -0.27 0.00 -0.15 0.00 0.00 54.97 54.37 3jpo s GLU 247 Cb 0.00 -2.81 -0.10 0.00 -0.44 0.00 0.00 34.13 30.78 3jpo s GLU 247 CO 0.00 0.40 1.46 -1.59 0.95 0.00 0.00 175.26 176.49 3jpo s LYS 248 N -3.07 3.96 0.64 -4.83 -2.85 -1.26 -4.74 119.74 107.59 3jpo s LYS 248 Ca 0.40 2.52 -0.11 0.00 -1.00 0.00 0.00 55.97 57.78 3jpo s LYS 248 Cb -0.11 -2.86 -0.03 0.00 -2.06 0.00 0.00 37.83 32.77 3jpo s LYS 248 CO 0.27 -0.63 1.04 -1.83 0.10 0.00 0.00 175.35 174.31 3jpo s GLU 249 N -2.22 3.42 0.71 1.78 -1.05 -1.26 -4.89 118.70 115.19 3jpo s GLU 249 Ca 0.56 0.71 -0.13 0.00 -0.15 0.00 0.00 54.97 55.96 3jpo s GLU 249 Cb -0.45 -2.06 0.02 0.00 -0.44 0.00 0.00 34.13 31.20 3jpo s GLU 249 CO 0.61 -0.69 1.10 0.71 0.95 0.00 0.00 175.26 177.93 3jpo s TYR 250 N -3.20 2.62 0.71 4.83 2.02 -1.26 -5.01 117.35 118.07 3jpo s TYR 250 Ca 0.56 1.55 -0.13 0.00 -0.37 0.00 0.00 57.07 58.67 3jpo s TYR 250 Cb -0.11 -3.10 0.03 0.00 -0.40 0.00 0.00 41.96 38.37 3jpo s TYR 250 CO 0.54 -1.71 1.12 -2.14 -1.57 0.00 0.00 175.55 171.78 3jpo s PRO 251 N -4.48 2.47 0.47 -1.71 0.02 -1.26 -4.87 135.00 125.64 3jpo s PRO 251 Ca 0.64 1.37 -0.20 0.00 0.02 0.00 0.00 61.00 62.83 3jpo s PRO 251 Cb -0.19 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 3jpo s PRO 251 CO 0.48 -1.50 0.99 -1.01 -0.33 0.00 0.00 177.00 175.63 3jpo s HIS 252 N -2.49 3.20 0.07 6.54 3.76 -1.26 -4.66 115.29 120.45 3jpo s HIS 252 Ca 0.66 1.57 0.06 0.00 -0.15 0.00 0.00 55.06 57.20 3jpo s HIS 252 Cb -0.20 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 3jpo s HIS 252 CO 0.47 -0.47 -0.17 1.03 -0.85 0.00 0.00 174.74 174.75 3jpo s ARG 253 N -3.39 1.00 0.23 1.40 1.81 0.11 -4.39 118.95 115.72 3jpo s ARG 253 Ca 0.63 -0.99 -0.30 0.00 -1.72 0.00 0.00 55.73 53.36 3jpo s ARG 253 Cb -0.12 -1.11 -0.09 0.00 -0.45 0.00 0.00 34.95 33.19 3jpo s ARG 253 CO 0.20 0.26 1.03 1.03 -0.68 0.00 0.00 175.30 177.14 3jpo s ARG 254 N -1.63 4.71 -0.02 3.54 1.81 -1.26 -0.18 118.95 125.92 3jpo s ARG 254 Ca 0.02 1.65 0.01 0.00 -1.72 0.00 0.00 55.73 55.69 3jpo s ARG 254 Cb -0.09 -3.26 0.01 0.00 -0.45 0.00 0.00 34.95 31.16 3jpo s ARG 254 CO 0.03 0.29 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.40 3jpo s ILE 255 N -0.86 0.40 -0.06 1.52 2.07 0.55 -2.36 121.20 122.45 3jpo s ILE 255 Ca 0.45 -0.13 0.06 0.00 -1.41 0.00 0.00 60.65 59.62 3jpo s ILE 255 Cb -0.29 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 3jpo s ILE 255 CO 0.36 0.15 -0.23 -1.81 -1.91 0.00 0.00 174.94 171.50 3jpo s ASP 256 N 0.43 2.90 -0.09 4.50 1.01 -0.72 -0.39 116.67 124.30 3jpo s ASP 256 Ca -0.05 -0.49 0.01 0.00 0.71 0.00 0.00 52.55 52.73 3jpo s ASP 256 Cb -0.08 -0.85 0.02 0.00 1.01 0.00 0.00 42.92 43.01 3jpo s ASP 256 CO -0.00 0.22 -0.09 -0.63 0.21 0.00 0.00 175.17 174.88 3jpo s ILE 257 N -0.07 1.00 -0.20 0.77 1.01 -0.10 -0.92 121.20 122.68 3jpo s ILE 257 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3jpo s ILE 257 Cb -0.14 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.38 3jpo s ILE 257 CO 0.04 0.34 -0.17 -0.60 0.00 0.00 0.00 174.94 174.55 3jpo s ARG 258 N 1.23 2.87 -0.25 2.79 6.06 -0.11 -0.47 118.95 131.07 3jpo s ARG 258 Ca -0.04 -0.92 -0.21 0.00 -2.50 0.00 0.00 55.73 52.07 3jpo s ARG 258 Cb -0.14 -2.67 -0.02 0.00 0.06 0.00 0.00 34.95 32.18 3jpo s ARG 258 CO -0.03 -0.28 0.64 -1.17 -2.50 0.00 0.00 175.30 171.96 3jpo s LEU 259 N 1.27 4.06 0.05 -0.88 2.96 0.14 -0.31 118.68 125.97 3jpo s LEU 259 Ca 0.02 0.73 0.08 0.00 -0.22 0.00 0.00 54.13 54.75 3jpo s LEU 259 Cb -0.14 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 3jpo s LEU 259 CO -0.11 -0.38 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.68 3jpo s ILE 260 N 2.52 1.90 0.16 6.68 1.01 -0.41 -4.79 121.20 128.26 3jpo s ILE 260 Ca 0.27 -1.30 -0.34 0.00 0.00 0.00 0.00 60.65 59.28 3jpo s ILE 260 Cb -0.15 -1.64 -0.15 0.00 0.01 0.00 0.00 42.46 40.53 3jpo s ILE 260 CO 0.08 0.28 1.38 -2.65 0.00 0.00 0.00 174.94 174.03 3jpo n PRO 261 N 1.79 1.61 -0.21 2.79 -0.02 -1.26 -4.55 135.00 135.15 3jpo n PRO 261 Ca -0.17 0.58 0.17 0.00 -2.02 0.00 0.00 63.50 62.06 3jpo n PRO 261 Cb 0.53 -2.22 0.51 0.00 -0.02 0.00 0.00 33.50 32.29 3jpo n PRO 261 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3jpo h LYS 262 N 4.56 0.40 -0.00 -0.52 1.63 -1.33 0.07 116.57 121.38 3jpo h LYS 262 Ca -0.45 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 3jpo h LYS 262 Cb 1.30 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3jpo h LYS 262 CO 0.78 0.27 -0.01 -0.40 -3.45 0.00 0.00 179.45 176.64 3jpo n ASP 263 N -4.50 0.06 -0.53 4.20 5.75 -1.26 -3.08 116.55 117.19 3jpo n ASP 263 Ca 0.17 -0.68 0.06 0.00 -0.01 0.00 0.00 54.79 54.33 3jpo n ASP 263 Cb 0.63 -0.11 0.19 0.00 -1.03 0.00 0.00 41.12 40.80 3jpo n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jpo n GLN 264 N -1.07 1.59 -0.11 0.11 6.02 0.01 -4.81 117.38 119.11 3jpo n GLN 264 Ca 0.20 -3.08 -0.05 0.00 -0.01 0.00 0.00 57.00 54.05 3jpo n GLN 264 Cb 0.17 -1.62 0.02 0.00 1.02 0.00 0.00 30.24 29.84 3jpo n GLN 264 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3jpo h TYR 265 N 0.76 0.12 -0.84 1.08 3.20 -1.51 -2.00 116.97 117.79 3jpo h TYR 265 Ca 0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3jpo h TYR 265 Cb 1.09 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 3jpo h TYR 265 CO 0.58 0.02 0.43 1.88 -1.64 0.00 0.00 178.16 179.42 3jpo h TYR 266 N 0.20 1.18 -0.05 -3.82 0.05 -1.89 0.34 116.97 112.98 3jpo h TYR 266 Ca 0.18 -0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.79 3jpo h TYR 266 Cb 0.21 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 3jpo h TYR 266 CO -0.19 0.83 -0.58 0.00 -1.05 0.00 0.00 178.16 177.17 3jpo h GLY 268 N 1.55 0.70 2.00 0.00 0.00 -0.55 -1.69 103.07 105.09 3jpo h GLY 268 Ca -0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 3jpo h GLY 268 CO 0.08 0.74 -0.46 -0.24 0.00 0.00 0.00 176.54 176.66 3jpo h VAL 269 N 0.33 1.10 -0.10 4.60 3.04 -0.37 -0.33 116.25 124.52 3jpo h VAL 269 Ca 0.01 -1.72 -0.05 0.00 -1.01 0.00 0.00 66.70 63.94 3jpo h VAL 269 Cb 1.00 1.99 -0.00 0.00 -2.01 0.00 0.00 31.29 32.27 3jpo h VAL 269 CO 0.09 0.45 -0.13 0.25 -1.01 0.00 0.00 177.57 177.22 3jpo h LEU 270 N 0.00 0.28 0.13 3.16 5.85 -1.36 -1.77 115.31 121.61 3jpo h LEU 270 Ca -0.00 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3jpo h LEU 270 Cb 0.95 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3jpo h LEU 270 CO 0.06 0.74 -0.07 0.22 -0.34 0.00 0.00 178.44 179.05 3jpo h TYR 271 N -0.17 -0.19 0.00 1.25 3.20 -1.13 -2.98 116.97 116.95 3jpo h TYR 271 Ca 0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3jpo h TYR 271 Cb 0.68 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3jpo h TYR 271 CO 0.10 -0.12 0.00 0.34 -1.64 0.00 0.00 178.16 176.84 3jpo n PHE 272 N -5.18 0.24 0.02 -3.82 7.35 -0.15 -2.81 117.46 113.11 3jpo n PHE 272 Ca -0.08 0.08 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 3jpo n PHE 272 Cb 0.11 -0.63 -0.12 0.00 0.35 0.00 0.00 39.48 39.18 3jpo n PHE 272 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3jpo h THR 273 N 0.00 1.11 -0.21 -2.13 2.02 -1.18 0.25 112.91 112.78 3jpo h THR 273 Ca 0.00 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.33 3jpo h THR 273 Cb 0.40 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3jpo h THR 273 CO 0.00 0.63 0.00 0.61 0.37 0.00 0.00 175.52 177.13 3jpo n GLY 274 N 1.45 0.69 3.52 2.16 0.00 -1.12 -4.14 105.19 107.74 3jpo n GLY 274 Ca -0.09 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 3jpo n GLY 274 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jpo s SER 275 N -4.00 0.43 0.15 1.61 1.04 0.13 -4.75 113.70 108.31 3jpo s SER 275 Ca 0.00 0.72 -0.13 0.00 0.48 0.00 0.00 55.95 57.01 3jpo s SER 275 Cb 0.00 -1.01 0.03 0.00 0.10 0.00 0.00 66.02 65.14 3jpo s SER 275 CO 0.00 -4.44 1.66 -2.24 0.98 0.00 0.00 173.24 169.20 3jpo h ASP 276 N -2.79 0.74 -0.50 7.02 2.03 -1.89 0.65 116.42 121.67 3jpo h ASP 276 Ca -0.45 -0.22 -0.10 0.00 -0.73 0.00 0.00 57.03 55.53 3jpo h ASP 276 Cb 1.31 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 3jpo h ASP 276 CO 0.33 0.77 -0.05 0.40 -1.03 0.00 0.00 179.24 179.67 3jpo h ILE 277 N 0.67 1.26 -0.51 4.15 2.04 -1.94 -1.06 117.51 122.14 3jpo h ILE 277 Ca 0.16 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3jpo h ILE 277 Cb 0.31 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3jpo h ILE 277 CO -0.00 0.41 0.33 0.15 0.00 0.00 0.00 178.15 179.04 3jpo h PHE 278 N 0.87 0.64 -0.51 1.37 3.04 -1.69 0.20 116.94 120.87 3jpo h PHE 278 Ca 0.15 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.12 3jpo h PHE 278 Cb 0.57 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 3jpo h PHE 278 CO 0.04 0.42 0.33 -0.91 -2.02 0.00 0.00 178.31 176.17 3jpo h ASN 279 N 0.68 0.57 -0.58 0.41 2.35 -0.51 0.90 115.58 119.40 3jpo h ASN 279 Ca 0.18 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3jpo h ASN 279 Cb -0.06 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 3jpo h ASN 279 CO -0.04 0.41 0.31 0.11 -1.65 0.00 0.00 177.43 176.58 3jpo h LYS 280 N 0.68 0.82 -0.44 0.81 1.57 -0.77 0.98 116.57 120.23 3jpo h LYS 280 Ca 0.19 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3jpo h LYS 280 Cb -0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3jpo h LYS 280 CO -0.05 0.63 0.06 -0.91 -0.57 0.00 0.00 179.45 178.62 3jpo h ASN 281 N 0.79 0.70 -0.54 0.86 2.35 -0.51 -1.70 115.58 117.53 3jpo h ASN 281 Ca 0.20 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 3jpo h ASN 281 Cb 0.06 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3jpo h ASN 281 CO -0.03 0.79 -0.11 -0.03 -1.65 0.00 0.00 177.43 176.40 3jpo h MET 282 N 0.59 1.03 -0.29 0.81 4.05 -0.58 -0.86 114.93 119.68 3jpo h MET 282 Ca 0.13 -0.38 -0.10 0.00 -0.28 0.00 0.00 59.70 59.06 3jpo h MET 282 Cb 0.39 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 3jpo h MET 282 CO 0.01 1.08 -0.26 0.00 0.23 0.00 0.00 176.91 177.97 3jpo h ARG 283 N 0.92 0.58 -0.28 0.39 3.08 -0.75 -0.02 114.38 118.29 3jpo h ARG 283 Ca 0.14 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 3jpo h ARG 283 Cb 0.68 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3jpo h ARG 283 CO 0.05 0.78 -0.43 0.00 -1.07 0.00 0.00 179.97 179.30 3jpo h ALA 284 N 1.22 0.70 -0.46 0.04 0.00 -1.12 -1.97 119.26 117.66 3jpo h ALA 284 Ca 0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 3jpo h ALA 284 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3jpo h ALA 284 CO 0.05 0.67 -0.19 1.25 0.00 0.00 0.00 179.25 181.03 3jpo h HIS 285 N 0.58 1.03 -0.19 0.00 -0.00 -0.91 -2.32 115.15 113.34 3jpo h HIS 285 Ca 0.04 -0.23 0.04 0.00 -0.00 0.00 0.00 60.37 60.22 3jpo h HIS 285 Cb 0.98 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 28.11 3jpo h HIS 285 CO 0.05 1.01 -0.08 0.00 -0.00 0.00 0.00 177.93 178.91 3jpo h ALA 286 N 0.99 0.09 -0.17 5.26 0.00 -0.74 -0.77 119.26 123.90 3jpo h ALA 286 Ca 0.11 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3jpo h ALA 286 Cb 0.73 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3jpo h ALA 286 CO 0.06 -0.51 -0.15 -0.07 0.00 0.00 0.00 179.25 178.58 3jpo h LEU 287 N -0.05 -0.48 -1.79 0.00 3.38 -0.53 0.22 115.31 116.05 3jpo h LEU 287 Ca 0.10 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.32 3jpo h LEU 287 Cb 0.20 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3jpo h LEU 287 CO -0.22 -0.19 0.45 -0.33 0.09 0.00 0.00 178.44 178.24 3jpo h GLU 288 N -0.17 0.20 -0.02 1.13 5.08 -0.84 0.35 114.58 120.30 3jpo h GLU 288 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3jpo h GLU 288 Cb 0.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3jpo h GLU 288 CO -0.27 0.13 0.00 1.63 -1.00 0.00 0.00 179.01 179.50 3jpo n LYS 289 N -4.42 1.57 -0.75 2.33 4.76 -0.06 -4.92 118.16 116.67 3jpo n LYS 289 Ca 0.12 -0.83 0.00 0.00 -2.87 0.00 0.00 58.31 54.73 3jpo n LYS 289 Cb 0.58 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 3jpo n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jpo n GLY 290 N 1.14 0.94 3.24 0.72 0.00 0.12 -5.00 105.19 106.35 3jpo n GLY 290 Ca 0.19 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 3jpo n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jpo s PHE 291 N -2.00 1.23 -0.06 1.61 0.40 0.56 0.27 117.98 119.99 3jpo s PHE 291 Ca 0.00 -0.78 0.03 0.00 -0.60 0.00 0.00 56.93 55.59 3jpo s PHE 291 Cb 0.00 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.90 3jpo s PHE 291 CO 0.00 0.06 -0.16 -0.08 0.70 0.00 0.00 175.22 175.73 3jpo s THR 292 N -3.36 1.42 -0.10 0.64 -1.32 -0.02 -1.64 115.64 111.26 3jpo s THR 292 Ca 0.16 -0.67 0.03 0.00 -1.21 0.00 0.00 61.69 60.00 3jpo s THR 292 Cb 0.03 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 3jpo s THR 292 CO 0.00 0.41 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.99 3jpo s ILE 293 N 0.33 1.81 0.42 5.08 1.01 -1.26 -1.36 121.20 127.24 3jpo s ILE 293 Ca -0.11 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3jpo s ILE 293 Cb -0.14 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 3jpo s ILE 293 CO 0.04 0.51 0.15 0.54 0.00 0.00 0.00 174.94 176.17 3jpo s ASN 294 N 0.48 2.83 0.00 3.58 2.20 -0.48 -4.93 114.94 118.62 3jpo s ASN 294 Ca -0.17 -1.73 0.09 0.00 -0.94 0.00 0.00 52.86 50.12 3jpo s ASN 294 Cb -0.17 0.59 0.53 0.00 -2.00 0.00 0.00 41.25 40.20 3jpo s ASN 294 CO 0.06 -0.99 1.02 -1.84 -2.94 0.00 0.00 177.10 172.42 3jpo n GLU 295 N -0.94 0.26 -0.06 3.55 0.00 -1.26 -3.11 120.64 119.09 3jpo n GLU 295 Ca -0.06 0.03 -0.09 0.00 0.00 0.00 0.00 57.16 57.04 3jpo n GLU 295 Cb 0.64 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.54 3jpo n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3jpo n TYR 296 N -1.04 0.00 -3.99 -1.84 4.01 -1.26 -2.10 117.16 110.93 3jpo n TYR 296 Ca 0.06 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.68 3jpo n TYR 296 Cb 0.04 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 38.63 3jpo n TYR 296 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3jpo s THR 297 N -2.21 0.00 -0.08 -0.72 -4.23 -1.18 -4.66 115.64 102.55 3jpo s THR 297 Ca -0.15 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3jpo s THR 297 Cb 0.05 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.24 3jpo s THR 297 CO 0.23 0.00 -0.09 -0.51 -0.54 0.00 0.00 174.62 173.71 3jpo s ILE 298 N -2.93 0.98 0.12 2.99 2.07 -1.26 -1.39 121.20 121.79 3jpo s ILE 298 Ca 0.25 -0.33 0.07 0.00 -1.41 0.00 0.00 60.65 59.23 3jpo s ILE 298 Cb -0.02 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 3jpo s ILE 298 CO 0.16 0.34 -0.16 -0.13 -1.91 0.00 0.00 174.94 173.24 3jpo s ARG 299 N 1.21 1.05 0.54 3.50 0.52 -0.46 -1.55 118.95 123.76 3jpo s ARG 299 Ca -0.05 -1.20 -0.16 0.00 -0.52 0.00 0.00 55.73 53.81 3jpo s ARG 299 Cb -0.14 -1.08 -0.07 0.00 0.52 0.00 0.00 34.95 34.19 3jpo s ARG 299 CO -0.02 0.23 1.00 -1.25 0.02 0.00 0.00 175.30 175.27 3jpo s PRO 300 N -2.34 3.80 -0.33 3.54 0.04 -1.26 -0.84 135.00 137.60 3jpo s PRO 300 Ca 0.07 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 3jpo s PRO 300 Cb -0.07 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3jpo s PRO 300 CO 0.04 -0.40 0.21 -0.51 0.04 0.00 0.00 177.00 176.38 3jpo s LEU 301 N -4.24 4.38 1.37 -3.56 1.43 0.14 -0.78 118.68 117.42 3jpo s LEU 301 Ca 0.59 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.98 3jpo s LEU 301 Cb -0.11 -2.08 0.35 0.00 0.03 0.00 0.00 46.19 44.37 3jpo s LEU 301 CO 0.34 -0.23 0.99 -0.83 0.23 0.00 0.00 176.35 176.85 3jpo s GLY 302 N 1.67 1.47 0.23 -3.19 0.00 -0.34 -4.73 107.32 102.43 3jpo s GLY 302 Ca 0.05 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 3jpo s GLY 302 CO 0.09 0.08 1.75 -0.39 0.00 0.00 0.00 173.10 174.63 3jpo h VAL 303 N -3.20 0.76 0.00 1.40 -1.51 -1.98 0.17 116.25 111.89 3jpo h VAL 303 Ca -0.43 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3jpo h VAL 303 Cb 1.32 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 3jpo h VAL 303 CO 0.28 0.09 0.00 0.71 -1.23 0.00 0.00 177.57 177.42 3jpo h THR 304 N 0.49 0.00 0.00 7.19 1.35 -2.04 -3.45 112.91 116.46 3jpo h THR 304 Ca 0.36 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 3jpo h THR 304 Cb 0.47 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3jpo h THR 304 CO -0.33 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.55 3jpo n GLY 305 N -0.33 0.86 3.78 5.82 0.00 0.61 -5.06 105.19 110.87 3jpo n GLY 305 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3jpo n GLY 305 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpo s VAL 306 N -2.00 5.02 0.31 1.61 1.01 -1.26 -4.71 120.40 120.39 3jpo s VAL 306 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 3jpo s VAL 306 Cb 0.00 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 3jpo s VAL 306 CO 0.00 0.46 1.51 0.00 0.00 0.00 0.00 175.10 177.07 3jpo s ALA 307 N -0.30 3.65 0.25 5.51 0.00 -1.26 -1.20 121.76 128.41 3jpo s ALA 307 Ca 0.26 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.73 3jpo s ALA 307 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3jpo s ALA 307 CO 0.14 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.37 3jpo n GLY 308 N 1.56 1.39 3.82 0.00 0.00 0.04 -4.89 105.19 107.10 3jpo n GLY 308 Ca 0.05 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 3jpo n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jpo s GLU 309 N 2.50 3.97 0.27 1.61 0.41 -1.26 -4.72 118.70 121.49 3jpo s GLU 309 Ca 0.00 1.14 -0.30 0.00 -0.41 0.00 0.00 54.97 55.40 3jpo s GLU 309 Cb 0.00 -2.14 -0.13 0.00 -1.78 0.00 0.00 34.13 30.08 3jpo s GLU 309 CO 0.00 -0.26 1.32 -2.30 -0.49 0.00 0.00 175.26 173.53 3jpo n PRO 310 N -1.09 1.95 -3.27 0.39 -0.02 -1.26 -4.37 135.00 127.33 3jpo n PRO 310 Ca 0.08 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 3jpo n PRO 310 Cb 0.54 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 3jpo n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jpo s LEU 311 N -0.16 4.10 0.19 2.45 1.43 -0.60 -5.01 118.68 121.08 3jpo s LEU 311 Ca 0.64 1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.48 3jpo s LEU 311 Cb -0.64 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 41.65 3jpo s LEU 311 CO 0.54 -0.15 1.43 -2.16 0.23 0.00 0.00 176.35 176.25 3jpo s PRO 312 N -3.00 4.29 -0.06 1.29 0.04 -1.26 -4.76 135.00 131.55 3jpo s PRO 312 Ca 0.50 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.76 3jpo s PRO 312 Cb -0.11 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.29 3jpo s PRO 312 CO 0.21 -0.43 -0.06 0.08 0.04 0.00 0.00 177.00 176.84 3jpo s VAL 313 N 0.52 0.71 0.00 -0.36 1.01 -1.26 -4.98 120.40 116.04 3jpo s VAL 313 Ca 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3jpo s VAL 313 Cb -0.40 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3jpo s VAL 313 CO 0.37 0.27 0.83 0.47 0.00 0.00 0.00 175.10 177.04 3jpo n ASP 314 N 4.21 1.47 -3.62 3.32 9.92 -1.26 -4.96 116.55 125.63 3jpo n ASP 314 Ca -0.21 -1.69 -0.01 0.00 -0.53 0.00 0.00 54.79 52.35 3jpo n ASP 314 Cb 0.51 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.98 3jpo n ASP 314 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3jpo s SER 315 N -0.69 -0.10 0.29 -2.24 1.04 -1.26 -4.99 113.70 105.74 3jpo s SER 315 Ca 0.00 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.33 3jpo s SER 315 Cb 0.00 0.20 0.45 0.00 0.10 0.00 0.00 66.02 66.77 3jpo s SER 315 CO 0.00 -0.36 1.77 -0.33 0.98 0.00 0.00 173.24 175.30 3jpo h GLU 316 N 2.00 0.53 -0.80 4.02 5.08 -1.98 -2.89 114.58 120.54 3jpo h GLU 316 Ca -0.24 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 3jpo h GLU 316 Cb 1.20 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 3jpo h GLU 316 CO 0.27 0.67 0.53 -0.22 -1.00 0.00 0.00 179.01 179.25 3jpo h LYS 317 N 0.49 0.99 -0.81 2.33 3.64 -1.97 -1.61 116.57 119.63 3jpo h LYS 317 Ca 0.08 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 3jpo h LYS 317 Cb 0.55 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 3jpo h LYS 317 CO 0.03 0.65 0.53 -0.44 -2.27 0.00 0.00 179.45 177.95 3jpo h ASP 318 N 1.02 0.64 -0.28 4.20 3.32 -1.89 0.15 116.42 123.58 3jpo h ASP 318 Ca 0.31 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 3jpo h ASP 318 Cb -0.02 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3jpo h ASP 318 CO -0.08 0.37 -0.00 0.40 -1.72 0.00 0.00 179.24 178.21 3jpo h ILE 319 N 0.71 1.26 -0.54 0.35 2.04 -1.39 -1.79 117.51 118.14 3jpo h ILE 319 Ca 0.38 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 3jpo h ILE 319 Cb 0.50 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3jpo h ILE 319 CO -0.15 0.30 0.34 -0.26 0.00 0.00 0.00 178.15 178.38 3jpo h PHE 320 N 0.28 0.70 -0.81 1.37 -1.00 -1.05 -2.81 116.94 113.61 3jpo h PHE 320 Ca 0.08 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.90 3jpo h PHE 320 Cb 0.43 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.71 3jpo h PHE 320 CO 0.04 0.47 0.52 -0.44 -1.61 0.00 0.00 178.31 177.29 3jpo h ASP 321 N 0.73 0.85 -0.88 2.17 3.32 -0.58 -1.44 116.42 120.59 3jpo h ASP 321 Ca 0.20 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.32 3jpo h ASP 321 Cb -0.04 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 3jpo h ASP 321 CO -0.04 0.58 0.57 1.88 -1.72 0.00 0.00 179.24 180.51 3jpo h TYR 322 N 0.99 0.98 -0.60 4.55 0.99 -1.06 -1.43 116.97 121.39 3jpo h TYR 322 Ca 0.33 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.09 3jpo h TYR 322 Cb 0.04 -0.32 0.00 0.00 1.00 0.00 0.00 36.73 37.45 3jpo h TYR 322 CO -0.03 0.49 0.00 0.44 -0.00 0.00 0.00 178.16 179.06 3jpo n ILE 323 N -4.50 1.19 -3.48 -2.88 -5.35 -0.97 -4.96 119.36 98.41 3jpo n ILE 323 Ca 0.14 -0.92 -0.19 0.00 -0.27 0.00 0.00 62.75 61.50 3jpo n ILE 323 Cb 0.24 0.25 0.09 0.00 -1.74 0.00 0.00 39.64 38.48 3jpo n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jpo n GLN 324 N 1.16 -7.02 -5.28 6.28 6.02 -0.54 -4.94 117.38 113.07 3jpo n GLN 324 Ca 0.22 0.84 -0.31 0.00 -0.01 0.00 0.00 57.00 57.74 3jpo n GLN 324 Cb 0.65 -5.87 -0.16 0.00 1.02 0.00 0.00 30.24 25.88 3jpo n GLN 324 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3jpo s TRP 325 N -3.35 2.38 0.59 1.08 0.52 -0.60 -5.03 118.94 114.54 3jpo s TRP 325 Ca 0.17 -0.53 -0.18 0.00 0.02 0.00 0.00 56.10 55.58 3jpo s TRP 325 Cb -0.08 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 3jpo s TRP 325 CO 0.73 -0.10 1.15 0.15 0.02 0.00 0.00 176.95 178.91 3jpo s LYS 326 N -0.45 3.08 0.33 4.98 1.02 -1.26 -4.08 119.74 123.36 3jpo s LYS 326 Ca 0.05 1.65 -0.29 0.00 0.02 0.00 0.00 55.97 57.40 3jpo s LYS 326 Cb -0.11 -1.96 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 3jpo s LYS 326 CO 0.01 -1.08 1.39 -0.47 -0.92 0.00 0.00 175.35 174.27 3jpo s TYR 327 N -1.82 2.91 -0.15 3.18 5.04 -1.26 -4.99 117.35 120.26 3jpo s TYR 327 Ca 0.73 1.27 0.01 0.00 -2.44 0.00 0.00 57.07 56.64 3jpo s TYR 327 Cb -0.26 -3.81 0.02 0.00 0.35 0.00 0.00 41.96 38.27 3jpo s TYR 327 CO 0.32 -2.35 -0.16 1.03 -1.34 0.00 0.00 175.55 173.06 3jpo s ARG 328 N -1.59 2.42 0.75 4.97 0.52 -1.26 -5.11 118.95 119.64 3jpo s ARG 328 Ca 0.52 -0.61 -0.15 0.00 -0.52 0.00 0.00 55.73 54.97 3jpo s ARG 328 Cb -0.42 -2.15 0.05 0.00 0.52 0.00 0.00 34.95 32.95 3jpo s ARG 328 CO 0.54 -0.19 1.23 -1.21 0.02 0.00 0.00 175.30 175.69 3jpo s GLU 329 N 1.34 1.95 0.24 3.54 0.41 -1.26 -4.87 118.70 120.04 3jpo s GLU 329 Ca 0.02 1.84 -0.07 0.00 -0.41 0.00 0.00 54.97 56.35 3jpo s GLU 329 Cb -0.13 -1.80 0.41 0.00 -1.78 0.00 0.00 34.13 30.83 3jpo s GLU 329 CO -0.09 -2.00 1.66 -1.35 -0.49 0.00 0.00 175.26 172.99 3jpo h PRO 330 N -0.44 0.15 0.00 0.39 0.11 -1.93 0.66 132.00 130.94 3jpo h PRO 330 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jpo h PRO 330 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3jpo h PRO 330 CO 0.48 0.10 0.12 1.57 -0.21 0.00 0.00 178.00 180.07 3jpo h LYS 331 N 0.16 0.00 -0.46 1.05 2.10 -1.80 0.09 116.57 117.72 3jpo h LYS 331 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 3jpo h LYS 331 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 3jpo h LYS 331 CO -0.58 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.62 3jpo n ASP 332 N -2.60 4.39 -0.96 7.07 8.00 0.22 -4.40 116.55 128.27 3jpo n ASP 332 Ca -0.02 -2.68 0.08 0.00 0.71 0.00 0.00 54.79 52.88 3jpo n ASP 332 Cb 0.17 -0.54 0.25 0.00 -0.02 0.00 0.00 41.12 40.98 3jpo n ASP 332 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jpo n ARG 333 N 0.37 3.13 -2.98 -1.24 1.74 0.02 -4.85 116.66 112.85 3jpo n ARG 333 Ca 0.23 -2.66 -0.44 0.00 -0.77 0.00 0.00 57.85 54.21 3jpo n ARG 333 Cb 0.89 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 30.59 3jpo n ARG 333 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3jpo s SER 334 N -1.50 6.95 0.00 0.55 0.01 -1.26 -0.69 113.70 117.76 3jpo s SER 334 Ca 0.39 -2.74 0.16 0.00 1.31 0.00 0.00 55.95 55.07 3jpo s SER 334 Cb 0.29 -2.38 0.13 0.00 0.21 0.00 0.00 66.02 64.26 3jpo s SER 334 CO 0.13 -0.81 1.02 -0.62 0.41 0.00 0.00 173.24 173.37