#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpo n PRO 2 N 0.00 -1.87 0.00 4.33 -0.04 -1.26 -5.11 135.00 131.05 2jpo n PRO 2 Ca 0.00 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 2jpo n PRO 2 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2jpo n PRO 2 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jpo n GLU 3 N -3.98 0.00 -2.64 0.54 2.13 -1.26 -4.86 120.64 110.57 2jpo n GLU 3 Ca 0.15 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.63 2jpo n GLU 3 Cb 0.54 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.25 2jpo n GLU 3 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2jpo n ILE 4 N 0.00 4.32 -4.24 6.31 -5.35 -1.26 -4.97 119.36 114.17 2jpo n ILE 4 Ca 0.00 -5.53 -0.25 0.00 -0.27 0.00 0.00 62.75 56.71 2jpo n ILE 4 Cb 0.00 -1.43 -0.08 0.00 -1.74 0.00 0.00 39.64 36.39 2jpo n ILE 4 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2jpo s MET 5 N -3.91 2.17 -1.40 6.28 -1.94 -1.26 -4.76 119.30 114.47 2jpo s MET 5 Ca 0.45 -1.84 -0.10 0.00 -1.71 0.00 0.00 55.69 52.49 2jpo s MET 5 Cb 0.28 -1.94 0.10 0.00 2.01 0.00 0.00 34.83 35.28 2jpo s MET 5 CO -0.18 -0.03 0.26 0.36 -0.01 0.00 0.00 175.02 175.42 2jpo n LYS 6 N -1.13 -0.85 -0.28 2.03 2.85 -1.26 -4.82 118.16 114.69 2jpo n LYS 6 Ca -0.02 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2jpo n LYS 6 Cb 0.64 -3.39 0.00 0.00 -0.65 0.00 0.00 35.03 31.63 2jpo n LYS 6 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2jpo n ASN 7 N -2.05 4.25 0.00 -5.58 0.23 -1.26 -4.82 115.26 106.03 2jpo n ASN 7 Ca -0.07 -2.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.78 2jpo n ASN 7 Cb 0.46 -0.84 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 2jpo n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jpo n LEU 8 N 1.09 0.09 0.31 -4.53 -0.00 -1.26 -4.81 117.00 107.90 2jpo n LEU 8 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 2jpo n LEU 8 Cb 0.49 -0.25 -0.08 0.00 -0.00 0.00 0.00 43.42 43.59 2jpo n LEU 8 CO 0.00 -0.05 0.52 -1.28 -0.00 0.00 0.00 177.39 176.59 2jpo h SER 9 N 0.00 -0.97 0.17 1.45 0.87 -1.90 0.12 113.55 113.29 2jpo h SER 9 Ca 0.00 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2jpo h SER 9 Cb 0.00 0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2jpo h SER 9 CO 0.00 -0.57 -0.15 0.78 -0.53 0.00 0.00 176.83 176.37 2jpo h ASN 10 N -0.90 0.00 -0.17 6.23 2.35 -1.96 -2.16 115.58 118.98 2jpo h ASN 10 Ca -0.08 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 2jpo h ASN 10 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2jpo h ASN 10 CO 0.06 0.15 -0.42 0.78 -1.65 0.00 0.00 177.43 176.35 2jpo h ASN 11 N 0.00 0.66 -0.39 5.81 2.35 -1.65 -0.55 115.58 121.81 2jpo h ASN 11 Ca -0.00 -0.58 0.08 0.00 -0.55 0.00 0.00 56.30 55.25 2jpo h ASN 11 Cb 0.27 -0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.37 2jpo h ASN 11 CO 0.02 1.11 -0.14 0.15 -1.65 0.00 0.00 177.43 176.92 2jpo h PHE 12 N 0.23 -0.34 0.00 1.19 3.04 -0.41 -0.02 116.94 120.63 2jpo h PHE 12 Ca -0.00 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 2jpo h PHE 12 Cb 1.03 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 2jpo h PHE 12 CO 0.10 -0.22 -0.22 0.78 -2.02 0.00 0.00 178.31 176.73 2jpo h GLY 13 N -0.07 0.00 0.80 2.40 0.00 -1.37 -1.04 103.07 103.79 2jpo h GLY 13 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2jpo h GLY 13 CO -0.43 0.00 -0.19 1.70 0.00 0.00 0.00 176.54 177.62 2jpo h LYS 14 N 0.00 -0.50 -0.74 4.80 3.64 -0.40 -1.59 116.57 121.79 2jpo h LYS 14 Ca -0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2jpo h LYS 14 Cb 0.91 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 2jpo h LYS 14 CO 0.03 -0.22 0.49 0.00 -2.27 0.00 0.00 179.45 177.47 2jpo h ALA 15 N -0.20 1.74 -0.39 5.00 0.00 -0.54 0.80 119.26 125.67 2jpo h ALA 15 Ca -0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2jpo h ALA 15 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jpo h ALA 15 CO 0.09 0.12 0.06 1.98 0.00 0.00 0.00 179.25 181.51 2jpo h MET 16 N 0.72 0.65 -0.58 0.00 1.85 -1.16 -2.09 114.93 114.33 2jpo h MET 16 Ca 0.33 -0.17 0.04 0.00 -0.61 0.00 0.00 59.70 59.28 2jpo h MET 16 Cb 0.34 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.25 2jpo h MET 16 CO -0.11 0.70 0.33 0.22 -0.40 0.00 0.00 176.91 177.65 2jpo h ASP 17 N 0.50 0.51 -0.63 1.39 3.58 -0.02 0.29 116.42 122.04 2jpo h ASP 17 Ca 0.12 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.64 2jpo h ASP 17 Cb 0.37 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 2jpo h ASP 17 CO 0.01 0.35 0.34 1.56 -2.88 0.00 0.00 179.24 178.62 2jpo h GLN 18 N 0.64 0.61 -0.20 0.28 4.20 -0.74 -0.87 115.11 119.03 2jpo h GLN 18 Ca 0.25 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 2jpo h GLN 18 Cb 0.10 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2jpo h GLN 18 CO -0.14 0.40 -0.29 0.00 -0.67 0.00 0.00 178.83 178.14 2jpo n LYS 20 N -4.35 0.11 -0.05 0.00 4.81 0.95 -0.69 118.16 118.95 2jpo n LYS 20 Ca -0.06 0.60 -0.10 0.00 -0.87 0.00 0.00 58.31 57.89 2jpo n LYS 20 Cb 0.47 -1.94 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 2jpo n LYS 20 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jpo n ASP 21 N -2.11 1.35 0.17 3.14 2.03 -0.37 -2.17 116.55 118.60 2jpo n ASP 21 Ca -0.01 0.22 0.05 0.00 0.52 0.00 0.00 54.79 55.56 2jpo n ASP 21 Cb 0.10 -0.51 0.48 0.00 -0.72 0.00 0.00 41.12 40.47 2jpo n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2jpo h GLU 22 N -0.54 0.15 0.00 -0.67 5.08 -0.64 -2.49 114.58 115.47 2jpo h GLU 22 Ca -0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2jpo h GLU 22 Cb 0.88 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2jpo h GLU 22 CO -0.10 0.23 -1.56 1.28 -1.00 0.00 0.00 179.01 177.86 2jpo n LEU 23 N -4.37 0.26 -2.66 1.33 4.77 0.14 -5.02 117.00 111.44 2jpo n LEU 23 Ca -0.01 -0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 2jpo n LEU 23 Cb 0.20 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2jpo n LEU 23 CO 0.36 0.06 0.16 -0.24 -1.33 0.00 0.00 177.39 176.41 2jpo n SER 24 N -1.94 -4.62 -4.77 -1.43 2.88 -0.94 -4.98 113.62 97.83 2jpo n SER 24 Ca -0.01 -0.38 -0.40 0.00 -1.33 0.00 0.00 58.87 56.74 2jpo n SER 24 Cb 0.43 -3.66 -0.02 0.00 -0.75 0.00 0.00 64.21 60.21 2jpo n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jpo s LEU 25 N -5.34 4.37 0.66 2.46 1.43 -0.92 -4.94 118.68 116.40 2jpo s LEU 25 Ca 0.35 2.65 -0.13 0.00 -1.03 0.00 0.00 54.13 55.97 2jpo s LEU 25 Cb -0.15 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.34 2jpo s LEU 25 CO 0.51 -0.60 1.06 -2.16 0.23 0.00 0.00 176.35 175.39 2jpo s PRO 26 N -1.91 3.04 0.52 1.29 0.04 -1.26 -4.82 135.00 131.90 2jpo s PRO 26 Ca 0.51 1.09 0.29 0.00 0.04 0.00 0.00 61.00 62.93 2jpo s PRO 26 Cb -0.39 -2.00 1.40 0.00 0.04 0.00 0.00 34.50 33.55 2jpo s PRO 26 CO 0.51 -1.02 2.03 0.22 0.04 0.00 0.00 177.00 178.78 2jpo h ASP 27 N -0.23 0.00 0.31 6.66 3.58 -1.98 0.34 116.42 125.10 2jpo h ASP 27 Ca -0.45 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 2jpo h ASP 27 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2jpo h ASP 27 CO 0.56 0.12 -0.15 -1.28 -2.88 0.00 0.00 179.24 175.62 2jpo h SER 28 N 0.00 -0.35 0.44 2.28 0.87 -1.98 0.12 113.55 114.93 2jpo h SER 28 Ca -0.00 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.34 2jpo h SER 28 Cb 0.42 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2jpo h SER 28 CO 0.02 -0.12 -0.55 0.58 -0.53 0.00 0.00 176.83 176.22 2jpo h VAL 29 N -0.57 1.38 0.28 2.23 2.07 -1.63 0.23 116.25 120.25 2jpo h VAL 29 Ca -0.04 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 2jpo h VAL 29 Cb 0.42 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2jpo h VAL 29 CO 0.07 0.55 -0.13 0.58 0.02 0.00 0.00 177.57 178.65 2jpo h VAL 30 N 0.10 0.76 -0.86 2.57 2.07 -0.90 0.15 116.25 120.14 2jpo h VAL 30 Ca -0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2jpo h VAL 30 Cb 1.00 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2jpo h VAL 30 CO 0.08 0.07 0.44 0.00 0.02 0.00 0.00 177.57 178.18 2jpo h ALA 31 N 0.12 1.11 -0.63 1.67 0.00 -0.57 -2.09 119.26 118.87 2jpo h ALA 31 Ca -0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2jpo h ALA 31 Cb 0.40 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jpo h ALA 31 CO 0.06 0.65 0.16 -0.44 0.00 0.00 0.00 179.25 179.68 2jpo h ASP 32 N 1.22 0.92 -0.21 0.00 3.32 -0.46 -1.92 116.42 119.29 2jpo h ASP 32 Ca 0.30 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2jpo h ASP 32 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2jpo h ASP 32 CO -0.04 0.89 0.05 0.25 -1.72 0.00 0.00 179.24 178.67 2jpo h LEU 33 N 0.94 0.31 -1.29 1.55 6.46 -0.06 0.43 115.31 123.66 2jpo h LEU 33 Ca 0.20 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.80 2jpo h LEU 33 Cb 0.33 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 2jpo h LEU 33 CO -0.00 0.46 0.52 1.88 -0.62 0.00 0.00 178.44 180.68 2jpo h TYR 34 N 0.16 0.88 0.00 1.25 0.05 -1.33 -1.01 116.97 116.96 2jpo h TYR 34 Ca 0.07 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 2jpo h TYR 34 Cb 0.26 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 2jpo h TYR 34 CO 0.01 0.47 -0.12 -0.91 -1.05 0.00 0.00 178.16 176.55 2jpo h ASN 35 N 0.87 0.00 0.37 3.88 2.35 -0.45 -3.21 115.58 119.38 2jpo h ASN 35 Ca 0.34 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 2jpo h ASN 35 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2jpo h ASN 35 CO -0.12 0.12 -0.14 0.15 -1.65 0.00 0.00 177.43 175.80 2jpo h PHE 36 N 0.00 0.00 -0.19 1.19 3.57 0.46 -1.57 116.94 120.40 2jpo h PHE 36 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2jpo h PHE 36 Cb 0.49 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2jpo h PHE 36 CO 0.00 0.14 -0.06 0.91 -2.23 0.00 0.00 178.31 177.07 2jpo n TRP 37 N -3.72 0.65 0.00 0.41 7.02 -1.21 -4.41 117.44 116.17 2jpo n TRP 37 Ca -0.02 -1.13 0.00 0.00 -1.02 0.00 0.00 57.50 55.33 2jpo n TRP 37 Cb 0.25 -0.31 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 2jpo n TRP 37 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2jpo n LYS 38 N -0.95 0.00 0.00 -0.99 5.02 -0.59 -4.84 118.16 115.81 2jpo n LYS 38 Ca 0.23 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2jpo n LYS 38 Cb 0.84 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 2jpo n LYS 38 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jpo n ASP 39 N -2.15 0.00 0.00 4.39 8.00 -1.21 -5.06 116.55 120.52 2jpo n ASP 39 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jpo n ASP 39 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2jpo n ASP 40 N -1.11 0.00 -4.67 -2.24 5.75 -1.26 -5.07 116.55 107.96 2jpo n ASP 40 Ca 0.00 -0.07 -0.39 0.00 -0.01 0.00 0.00 54.79 54.32 2jpo n ASP 40 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 2jpo n ASP 40 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jpo n TYR 41 N 0.00 1.48 -3.88 2.11 4.19 -1.26 -5.00 117.16 114.80 2jpo n TYR 41 Ca 0.00 0.45 -0.36 0.00 3.31 0.00 0.00 57.90 61.31 2jpo n TYR 41 Cb 0.03 -2.24 -0.13 0.00 0.49 0.00 0.00 39.34 37.50 2jpo n TYR 41 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jpo s VAL 42 N -1.39 4.07 -0.12 2.97 1.01 -1.26 -4.78 120.40 120.90 2jpo s VAL 42 Ca 0.73 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 2jpo s VAL 42 Cb -0.44 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 2jpo s VAL 42 CO 0.49 0.38 2.06 -0.04 0.00 0.00 0.00 175.10 177.99 2jpo s MET 43 N 1.36 3.58 -0.24 2.72 -1.94 -1.26 -4.89 119.30 118.64 2jpo s MET 43 Ca 0.05 2.21 0.06 0.00 -1.71 0.00 0.00 55.69 56.30 2jpo s MET 43 Cb -0.15 -4.26 -0.19 0.00 2.01 0.00 0.00 34.83 32.24 2jpo s MET 43 CO 0.02 -1.58 -0.13 0.25 -0.01 0.00 0.00 175.02 173.56 2jpo n THR 44 N 6.77 1.47 -2.96 2.05 -2.24 -1.26 -4.97 114.28 113.15 2jpo n THR 44 Ca 0.25 -0.65 -0.39 0.00 -2.27 0.00 0.00 64.05 60.98 2jpo n THR 44 Cb 0.44 -1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 2jpo n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jpo s ASP 45 N -6.25 7.41 0.35 3.42 -1.08 -1.26 -4.95 116.67 114.30 2jpo s ASP 45 Ca -0.28 1.67 0.14 0.00 -0.52 0.00 0.00 52.55 53.55 2jpo s ASP 45 Cb 0.08 -2.51 1.00 0.00 -1.46 0.00 0.00 42.92 40.04 2jpo s ASP 45 CO 0.67 0.19 1.72 0.08 0.52 0.00 0.00 175.17 178.35 2jpo h ARG 46 N 4.39 0.45 -0.97 4.34 0.11 -1.94 -1.43 114.38 119.33 2jpo h ARG 46 Ca -0.47 -0.03 0.30 0.00 0.10 0.00 0.00 59.98 59.89 2jpo h ARG 46 Cb 1.21 -0.10 -0.15 0.00 1.11 0.00 0.00 29.97 32.03 2jpo h ARG 46 CO 0.66 0.30 0.44 -0.07 0.10 0.00 0.00 179.97 181.40 2jpo h LEU 47 N 0.46 0.29 -0.49 0.08 4.07 -1.94 0.03 115.31 117.81 2jpo h LEU 47 Ca 0.66 0.21 -0.03 0.00 0.08 0.00 0.00 57.88 58.80 2jpo h LEU 47 Cb 1.45 0.21 -0.02 0.00 1.08 0.00 0.00 40.66 43.38 2jpo h LEU 47 CO -0.46 -0.18 0.19 0.00 -1.08 0.00 0.00 178.44 176.90 2jpo h ALA 48 N 1.85 0.63 -0.16 1.53 0.00 -1.60 0.24 119.26 121.76 2jpo h ALA 48 Ca 0.69 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.38 2jpo h ALA 48 Cb 1.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2jpo h ALA 48 CO -0.66 0.25 -0.16 0.78 0.00 0.00 0.00 179.25 179.47 2jpo h GLY 49 N 0.65 0.28 0.98 0.00 0.00 -1.43 -1.83 103.07 101.72 2jpo h GLY 49 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2jpo h GLY 49 CO -0.01 0.17 0.25 0.00 0.00 0.00 0.00 176.54 176.95 2jpo h ALA 51 N 1.09 0.03 -0.08 0.00 0.00 -0.31 -1.78 119.26 118.21 2jpo h ALA 51 Ca 0.18 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2jpo h ALA 51 Cb 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2jpo h ALA 51 CO -0.02 -0.47 -0.36 0.82 0.00 0.00 0.00 179.25 179.22 2jpo h ILE 52 N 0.03 0.23 0.00 0.00 2.04 -1.10 0.45 117.51 119.16 2jpo h ILE 52 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2jpo h ILE 52 Cb -0.00 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2jpo h ILE 52 CO -0.00 0.00 -0.09 -0.55 0.00 0.00 0.00 178.15 177.51 2jpo h ASN 53 N -0.47 0.00 -0.15 1.72 7.08 -1.08 -1.10 115.58 121.59 2jpo h ASN 53 Ca 0.08 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.17 2jpo h ASN 53 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.83 2jpo h ASN 53 CO -0.34 0.09 -0.38 0.00 -2.08 0.00 0.00 177.43 174.72 2jpo h LEU 55 N 0.15 0.44 -0.62 0.00 -0.00 -0.14 -1.51 115.31 113.62 2jpo h LEU 55 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2jpo h LEU 55 Cb 0.99 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 2jpo h LEU 55 CO 0.08 0.25 0.00 0.00 -0.00 0.00 0.00 178.44 178.77 2jpo h ALA 56 N 1.66 1.00 -0.01 1.53 0.00 -0.92 -1.23 119.26 121.29 2jpo h ALA 56 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2jpo h ALA 56 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jpo h ALA 56 CO -0.11 0.00 -0.05 -2.37 0.00 0.00 0.00 179.25 176.72 2jpo n THR 57 N -2.95 0.00 -1.93 0.00 5.66 -0.59 -4.45 114.28 110.02 2jpo n THR 57 Ca 0.03 -0.20 -0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2jpo n THR 57 Cb 0.41 0.36 0.13 0.00 -1.55 0.00 0.00 70.33 69.68 2jpo n THR 57 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2jpo n LYS 58 N -0.13 1.66 0.29 1.09 5.02 -0.47 -4.86 118.16 120.76 2jpo n LYS 58 Ca 0.18 -3.22 0.16 0.00 -2.02 0.00 0.00 58.31 53.41 2jpo n LYS 58 Cb 0.33 -1.42 0.91 0.00 -0.02 0.00 0.00 35.03 34.83 2jpo n LYS 58 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jpo h LEU 59 N 1.32 0.00 0.00 -0.35 -0.00 -1.77 0.21 115.31 114.71 2jpo h LEU 59 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2jpo h LEU 59 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2jpo h LEU 59 CO 0.17 0.04 -0.90 -0.90 -0.00 0.00 0.00 178.44 176.86 2jpo n ASP 60 N -3.50 0.68 0.06 -0.43 5.75 -1.26 -0.61 116.55 117.24 2jpo n ASP 60 Ca -0.02 -0.47 -0.21 0.00 -0.01 0.00 0.00 54.79 54.08 2jpo n ASP 60 Cb 0.16 0.74 -0.15 0.00 -1.03 0.00 0.00 41.12 40.84 2jpo n ASP 60 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2jpo h VAL 61 N 0.00 1.33 0.41 2.12 2.07 -1.36 -2.27 116.25 118.55 2jpo h VAL 61 Ca 0.00 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 2jpo h VAL 61 Cb 0.60 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 2jpo h VAL 61 CO 0.00 0.74 -0.27 0.58 0.02 0.00 0.00 177.57 178.63 2jpo h VAL 62 N -0.24 0.43 -2.67 2.57 2.07 -0.76 -3.39 116.25 114.26 2jpo h VAL 62 Ca -0.21 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.70 2jpo h VAL 62 Cb 1.79 0.43 -0.41 0.00 -1.52 0.00 0.00 31.29 31.59 2jpo h VAL 62 CO 0.15 0.00 -0.74 -0.67 0.02 0.00 0.00 177.57 176.34 2jpo n ASP 63 N -5.40 1.84 0.00 0.57 2.03 0.22 -3.36 116.55 112.45 2jpo n ASP 63 Ca -0.11 -2.95 0.01 0.00 0.52 0.00 0.00 54.79 52.26 2jpo n ASP 63 Cb 0.31 -0.68 0.06 0.00 -0.72 0.00 0.00 41.12 40.09 2jpo n ASP 63 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jpo n PRO 64 N 2.04 0.67 -0.09 -0.67 -0.04 -0.85 -1.83 135.00 134.22 2jpo n PRO 64 Ca 0.24 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 2jpo n PRO 64 Cb 0.41 -1.05 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 2jpo n PRO 64 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2jpo h ASP 65 N 0.00 0.91 0.00 3.54 3.32 -1.91 -3.49 116.42 118.79 2jpo h ASP 65 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2jpo h ASP 65 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 2jpo h ASP 65 CO 0.00 1.24 0.00 0.61 -1.72 0.00 0.00 179.24 179.37 2jpo n GLY 66 N 0.27 1.94 0.17 2.75 0.00 -0.76 -5.07 105.19 104.49 2jpo n GLY 66 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2jpo n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jpo n ASN 67 N 0.00 1.89 -4.69 1.61 3.02 -1.26 -4.92 115.26 110.90 2jpo n ASN 67 Ca 0.00 0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 2jpo n ASN 67 Cb 0.00 -0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 38.36 2jpo n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jpo s LEU 68 N -7.48 4.33 0.23 3.41 0.20 -1.26 -4.03 118.68 114.08 2jpo s LEU 68 Ca -0.37 2.18 0.00 0.00 0.69 0.00 0.00 54.13 56.64 2jpo s LEU 68 Cb 0.14 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.29 2jpo s LEU 68 CO 0.47 -0.71 0.18 -1.00 -0.29 0.00 0.00 176.35 175.00 2jpo s HIS 69 N 2.11 1.25 0.52 5.38 3.76 -0.46 -4.45 115.29 123.40 2jpo s HIS 69 Ca 0.65 -1.41 -0.23 0.00 -0.15 0.00 0.00 55.06 53.92 2jpo s HIS 69 Cb -0.33 -0.55 -0.06 0.00 1.11 0.00 0.00 32.58 32.75 2jpo s HIS 69 CO 0.28 -0.71 1.39 -2.39 -0.85 0.00 0.00 174.74 172.46 2jpo n HIS 70 N -0.35 2.46 -0.69 1.40 1.44 -1.26 -1.07 115.22 117.14 2jpo n HIS 70 Ca 0.03 0.43 0.00 0.00 -2.01 0.00 0.00 57.72 56.17 2jpo n HIS 70 Cb 0.65 -2.40 0.00 0.00 0.12 0.00 0.00 29.99 28.36 2jpo n HIS 70 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2jpo n GLY 71 N 0.69 0.00 2.24 -1.39 0.00 0.64 -4.85 105.19 102.53 2jpo n GLY 71 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2jpo n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jpo n ASN 72 N -0.36 0.09 0.00 1.61 5.15 -0.23 -4.81 115.26 116.71 2jpo n ASN 72 Ca 0.00 -2.87 0.09 0.00 -0.60 0.00 0.00 54.58 51.20 2jpo n ASN 72 Cb 0.22 -0.38 0.38 0.00 -0.53 0.00 0.00 39.78 39.47 2jpo n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jpo n ALA 73 N 1.03 1.81 0.08 5.20 0.00 -1.25 -1.35 120.51 126.03 2jpo n ALA 73 Ca 0.21 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 2jpo n ALA 73 Cb 0.58 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 2jpo n ALA 73 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jpo h LYS 74 N 0.00 -0.27 -0.73 0.00 3.64 -1.87 0.31 116.57 117.65 2jpo h LYS 74 Ca 0.00 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 2jpo h LYS 74 Cb 0.31 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 2jpo h LYS 74 CO 0.00 0.09 0.48 -0.44 -2.27 0.00 0.00 179.45 177.32 2jpo h ASP 75 N -0.91 0.41 -0.00 4.20 5.19 -1.79 -0.91 116.42 122.61 2jpo h ASP 75 Ca -0.03 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2jpo h ASP 75 Cb 0.50 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 2jpo h ASP 75 CO 0.05 0.22 -0.01 0.15 -3.12 0.00 0.00 179.24 176.54 2jpo h PHE 76 N 0.44 0.01 -0.84 4.55 3.57 -1.53 -3.22 116.94 119.92 2jpo h PHE 76 Ca 0.35 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.90 2jpo h PHE 76 Cb 0.75 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 2jpo h PHE 76 CO -0.00 0.51 0.53 0.00 -2.23 0.00 0.00 178.31 177.12 2jpo h ALA 77 N 0.50 1.14 0.00 2.41 0.00 0.45 -0.10 119.26 123.66 2jpo h ALA 77 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jpo h ALA 77 Cb 0.51 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jpo h ALA 77 CO 0.00 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.23 2jpo n MET 78 N -4.60 0.56 0.00 0.00 2.81 -0.43 -1.13 117.12 114.33 2jpo n MET 78 Ca 0.11 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.04 2jpo n MET 78 Cb 0.14 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.21 2jpo n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2jpo n LYS 79 N -0.94 2.58 0.00 0.03 4.76 -0.08 -4.79 118.16 119.73 2jpo n LYS 79 Ca 0.12 -0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 2jpo n LYS 79 Cb 0.05 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 2jpo n LYS 79 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2jpo n HIS 80 N -0.44 0.00 0.00 2.13 8.25 -0.31 -5.02 115.22 119.83 2jpo n HIS 80 Ca 0.03 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2jpo n HIS 80 Cb 0.16 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2jpo n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpo n GLY 81 N -0.15 1.24 3.34 -1.41 0.00 -0.28 -4.72 105.19 103.21 2jpo n GLY 81 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jpo n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpo s ALA 82 N -1.66 0.94 0.29 4.61 0.00 -0.66 -4.96 121.76 120.32 2jpo s ALA 82 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.42 2jpo s ALA 82 Cb 0.00 1.30 -0.03 0.00 0.00 0.00 0.00 23.12 24.40 2jpo s ALA 82 CO 0.00 -0.69 0.27 -0.51 0.00 0.00 0.00 175.76 174.83 2jpo s ASP 83 N -3.18 1.05 0.28 0.00 1.01 -1.26 -3.83 116.67 110.74 2jpo s ASP 83 Ca 0.35 -1.58 -0.01 0.00 0.71 0.00 0.00 52.55 52.01 2jpo s ASP 83 Cb 0.03 0.52 0.62 0.00 1.01 0.00 0.00 42.92 45.11 2jpo s ASP 83 CO 0.16 -1.04 1.62 -0.33 0.21 0.00 0.00 175.17 175.79 2jpo h GLU 84 N 2.28 0.11 0.67 8.23 3.07 -1.97 0.17 114.58 127.14 2jpo h GLU 84 Ca -0.29 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.54 2jpo h GLU 84 Cb 1.24 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2jpo h GLU 84 CO 0.41 0.07 -0.40 1.15 -1.40 0.00 0.00 179.01 178.85 2jpo h THR 85 N 0.12 0.00 0.12 1.13 2.02 -1.97 0.11 112.91 114.43 2jpo h THR 85 Ca 0.52 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.69 2jpo h THR 85 Cb 1.01 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2jpo h THR 85 CO -0.73 0.00 -0.07 0.24 0.37 0.00 0.00 175.52 175.33 2jpo h MET 86 N -1.00 -0.18 -0.70 6.66 2.86 -1.65 0.18 114.93 121.10 2jpo h MET 86 Ca -0.09 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2jpo h MET 86 Cb 0.80 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 2jpo h MET 86 CO 0.10 -0.12 0.36 0.00 1.06 0.00 0.00 176.91 178.30 2jpo h ALA 87 N 0.69 1.32 -0.11 6.32 0.00 -0.74 0.10 119.26 126.84 2jpo h ALA 87 Ca -0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2jpo h ALA 87 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jpo h ALA 87 CO 0.01 0.54 -0.66 0.37 0.00 0.00 0.00 179.25 179.51 2jpo h GLN 88 N 0.98 0.45 0.53 0.00 5.75 -0.35 -1.80 115.11 120.66 2jpo h GLN 88 Ca 0.24 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 2jpo h GLN 88 Cb 0.06 0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.68 2jpo h GLN 88 CO -0.04 0.96 -0.26 1.96 -2.65 0.00 0.00 178.83 178.80 2jpo h GLN 89 N 0.32 -0.69 -0.56 1.69 1.08 0.06 -1.38 115.11 115.64 2jpo h GLN 89 Ca -0.02 0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2jpo h GLN 89 Cb 1.22 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.78 2jpo h GLN 89 CO 0.12 -0.45 0.22 -0.07 -0.95 0.00 0.00 178.83 177.69 2jpo h LEU 90 N -0.73 0.74 -1.18 1.46 3.38 -1.01 0.37 115.31 118.35 2jpo h LEU 90 Ca -0.07 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2jpo h LEU 90 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2jpo h LEU 90 CO 0.12 0.67 0.09 1.62 0.09 0.00 0.00 178.44 181.02 2jpo h VAL 91 N 0.80 1.20 -0.19 1.22 3.04 -1.22 -2.09 116.25 119.01 2jpo h VAL 91 Ca 0.19 -0.74 -0.15 0.00 -1.01 0.00 0.00 66.70 64.99 2jpo h VAL 91 Cb 0.16 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 2jpo h VAL 91 CO -0.02 0.27 -0.52 -0.78 -1.01 0.00 0.00 177.57 175.51 2jpo h ASP 92 N 0.64 0.60 -0.53 3.17 3.58 0.02 -0.39 116.42 123.52 2jpo h ASP 92 Ca 0.14 -0.31 0.03 0.00 0.42 0.00 0.00 57.03 57.32 2jpo h ASP 92 Cb 0.27 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 2jpo h ASP 92 CO 0.00 1.01 0.30 0.40 -2.88 0.00 0.00 179.24 178.07 2jpo h ILE 93 N 0.42 1.02 -0.06 2.25 1.08 -0.63 0.14 117.51 121.73 2jpo h ILE 93 Ca 0.01 -0.20 -0.24 0.00 -0.39 0.00 0.00 64.86 64.04 2jpo h ILE 93 Cb 1.06 0.38 0.01 0.00 -3.07 0.00 0.00 36.82 35.20 2jpo h ILE 93 CO 0.10 0.11 -0.92 -0.29 -0.69 0.00 0.00 178.15 176.46 2jpo h ILE 94 N 0.59 1.29 0.00 -0.67 6.09 -1.25 -0.79 117.51 122.78 2jpo h ILE 94 Ca 0.22 -2.15 -0.02 0.00 -1.37 0.00 0.00 64.86 61.54 2jpo h ILE 94 Cb 0.07 2.21 -0.00 0.00 0.47 0.00 0.00 36.82 39.56 2jpo h ILE 94 CO -0.12 0.67 -0.11 0.45 -3.07 0.00 0.00 178.15 175.98 2jpo h HIS 95 N 0.43 0.00 0.07 2.19 3.86 -0.81 0.12 115.15 121.01 2jpo h HIS 95 Ca -0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2jpo h HIS 95 Cb 1.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.03 2jpo h HIS 95 CO 0.09 0.11 -0.03 0.78 0.86 0.00 0.00 177.93 179.73 2jpo h GLY 96 N 0.87 -0.09 1.09 2.45 0.00 -0.53 -3.34 103.07 103.52 2jpo h GLY 96 Ca -0.00 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2jpo h GLY 96 CO 0.01 -0.03 0.54 0.00 0.00 0.00 0.00 176.54 177.06 2jpo h GLU 98 N 1.23 0.60 0.00 0.00 4.11 -0.94 -1.70 114.58 117.88 2jpo h GLU 98 Ca 0.32 -0.09 -0.06 0.00 0.07 0.00 0.00 59.36 59.60 2jpo h GLU 98 Cb -0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2jpo h GLU 98 CO -0.06 0.52 -0.23 0.87 0.07 0.00 0.00 179.01 180.18 2jpo h LYS 99 N 0.59 0.15 0.00 1.06 6.56 -1.56 -3.28 116.57 120.10 2jpo h LYS 99 Ca 0.14 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2jpo h LYS 99 Cb 0.17 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2jpo h LYS 99 CO -0.01 0.92 0.00 0.43 -2.06 0.00 0.00 179.45 178.73 2jpo n SER 100 N -4.52 0.00 -4.72 0.86 7.64 -0.83 -4.81 113.62 107.25 2jpo n SER 100 Ca -0.10 0.32 -0.31 0.00 1.01 0.00 0.00 58.87 59.79 2jpo n SER 100 Cb 0.50 -0.43 0.13 0.00 -1.01 0.00 0.00 64.21 63.40 2jpo n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpo s ALA 101 N -2.85 1.89 0.88 -0.43 0.00 -0.65 -5.01 121.76 115.57 2jpo s ALA 101 Ca 0.14 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 2jpo s ALA 101 Cb 0.14 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 20.00 2jpo s ALA 101 CO 0.37 -2.23 1.12 -1.25 0.00 0.00 0.00 175.76 173.77 2jpo s PRO 102 N -4.67 1.43 -1.16 0.00 0.04 -1.26 -4.92 135.00 124.46 2jpo s PRO 102 Ca 0.65 0.44 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 2jpo s PRO 102 Cb -0.21 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.50 2jpo s PRO 102 CO 0.55 -2.03 1.71 -1.25 0.04 0.00 0.00 177.00 176.02 2jpo s PRO 103 N -5.20 3.49 -0.51 0.56 0.04 -1.26 -4.55 135.00 127.56 2jpo s PRO 103 Ca 0.63 -1.43 0.07 0.00 0.04 0.00 0.00 61.00 60.30 2jpo s PRO 103 Cb -0.15 -5.39 0.21 0.00 0.04 0.00 0.00 34.50 29.20 2jpo s PRO 103 CO 0.54 -2.63 0.78 -1.71 0.04 0.00 0.00 177.00 174.02 2jpo n ASN 104 N 10.06 -3.28 -4.63 6.66 5.15 -1.26 -5.12 115.26 122.84 2jpo n ASN 104 Ca 0.43 -3.01 -0.43 0.00 -0.60 0.00 0.00 54.58 50.97 2jpo n ASN 104 Cb 0.48 1.77 -0.02 0.00 -0.53 0.00 0.00 39.78 41.47 2jpo n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jpo s ASP 105 N 0.12 6.67 0.04 1.20 2.15 -1.26 -3.84 116.67 121.75 2jpo s ASP 105 Ca 0.30 1.18 -0.11 0.00 0.43 0.00 0.00 52.55 54.35 2jpo s ASP 105 Cb 0.07 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2jpo s ASP 105 CO -0.11 -1.09 0.24 -0.62 -0.17 0.00 0.00 175.17 173.42 2jpo s ASP 106 N 2.80 -0.03 0.21 -0.34 -1.08 -1.26 -4.96 116.67 112.01 2jpo s ASP 106 Ca 0.56 -0.30 0.04 0.00 -0.52 0.00 0.00 52.55 52.32 2jpo s ASP 106 Cb -0.16 0.32 0.17 0.00 -1.46 0.00 0.00 42.92 41.79 2jpo s ASP 106 CO 0.23 -0.59 1.50 0.11 0.52 0.00 0.00 175.17 176.94 2jpo h LYS 107 N 3.31 0.23 0.00 4.34 1.79 -1.98 -3.35 116.57 120.91 2jpo h LYS 107 Ca -0.32 -0.18 -0.16 0.00 -2.18 0.00 0.00 60.65 57.80 2jpo h LYS 107 Cb 1.20 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 2jpo h LYS 107 CO 0.48 0.83 -1.38 0.00 -1.08 0.00 0.00 179.45 178.30 2jpo h MET 109 N -0.64 0.08 -0.21 0.00 2.86 -1.84 -2.48 114.93 112.70 2jpo h MET 109 Ca -0.25 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2jpo h MET 109 Cb 1.05 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 2jpo h MET 109 CO -0.15 0.20 0.01 -0.22 1.06 0.00 0.00 176.91 177.82 2jpo h LYS 110 N -0.06 0.08 -0.82 1.72 1.63 -1.69 -2.71 116.57 114.71 2jpo h LYS 110 Ca 0.02 -0.00 0.21 0.00 -0.85 0.00 0.00 60.65 60.02 2jpo h LYS 110 Cb 0.15 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.72 2jpo h LYS 110 CO -0.00 0.05 0.57 1.15 -3.45 0.00 0.00 179.45 177.77 2jpo h THR 111 N 0.09 0.66 0.26 1.00 2.02 -1.68 -0.34 112.91 114.91 2jpo h THR 111 Ca 0.10 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2jpo h THR 111 Cb 0.12 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2jpo h THR 111 CO -0.16 0.04 -0.12 0.40 0.37 0.00 0.00 175.52 176.05 2jpo h ILE 112 N 0.21 0.78 0.28 3.11 2.04 -1.11 -1.81 117.51 121.00 2jpo h ILE 112 Ca 0.41 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2jpo h ILE 112 Cb 1.28 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2jpo h ILE 112 CO -0.09 0.05 -0.13 -0.78 0.00 0.00 0.00 178.15 177.20 2jpo h ASP 113 N -0.45 -0.31 -0.89 1.72 3.58 -1.15 -1.43 116.42 117.49 2jpo h ASP 113 Ca -0.04 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.45 2jpo h ASP 113 Cb 0.34 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.42 2jpo h ASP 113 CO 0.06 -0.22 0.59 0.58 -2.88 0.00 0.00 179.24 177.37 2jpo h VAL 114 N -0.38 1.17 0.23 2.25 2.07 -1.37 0.27 116.25 120.50 2jpo h VAL 114 Ca -0.04 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2jpo h VAL 114 Cb 0.29 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2jpo h VAL 114 CO 0.06 0.21 -0.11 0.00 0.02 0.00 0.00 177.57 177.75 2jpo h ALA 115 N 1.47 -0.31 0.00 1.67 0.00 -1.20 -2.28 119.26 118.61 2jpo h ALA 115 Ca 0.35 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jpo h ALA 115 Cb -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jpo h ALA 115 CO -0.10 -0.57 -0.31 0.00 0.00 0.00 0.00 179.25 178.27 2jpo h MET 116 N -0.52 0.00 -0.30 0.00 -0.00 -0.50 -2.48 114.93 111.13 2jpo h MET 116 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 2jpo h MET 116 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.97 2jpo h MET 116 CO 0.05 0.31 0.15 0.00 -0.00 0.00 0.00 176.91 177.42 2jpo h PHE 118 N 0.35 -0.46 -0.78 0.00 3.04 -0.93 -0.38 116.94 117.78 2jpo h PHE 118 Ca 0.10 0.04 0.11 0.00 3.98 0.00 0.00 57.97 62.20 2jpo h PHE 118 Cb 0.11 0.26 -0.05 0.00 2.56 0.00 0.00 35.95 38.82 2jpo h PHE 118 CO -0.02 -0.26 0.51 -0.22 -2.02 0.00 0.00 178.31 176.30 2jpo h LYS 119 N -0.12 0.65 0.24 1.11 3.64 -1.46 0.11 116.57 120.75 2jpo h LYS 119 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2jpo h LYS 119 Cb 0.40 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jpo h LYS 119 CO -0.45 0.43 -0.12 0.87 -2.27 0.00 0.00 179.45 177.92 2jpo h LYS 120 N 0.67 -0.32 0.00 1.90 1.57 -0.92 -3.14 116.57 116.33 2jpo h LYS 120 Ca 0.37 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2jpo h LYS 120 Cb 0.52 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2jpo h LYS 120 CO -0.14 -0.15 0.00 0.93 -0.57 0.00 0.00 179.45 179.52 2jpo h GLU 121 N -0.40 0.00 -0.05 3.15 4.39 -0.26 0.06 114.58 121.46 2jpo h GLU 121 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jpo h GLU 121 Cb 0.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2jpo h GLU 121 CO 0.05 0.00 0.01 0.82 -1.16 0.00 0.00 179.01 178.74 2jpo h ILE 122 N 0.00 1.03 0.00 3.13 2.04 -1.08 -0.52 117.51 122.11 2jpo h ILE 122 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jpo h ILE 122 Cb 0.37 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2jpo h ILE 122 CO 0.00 0.04 0.00 0.45 0.00 0.00 0.00 178.15 178.64 2jpo h HIS 123 N 0.07 0.00 -0.65 1.37 3.86 -1.08 -0.91 115.15 117.81 2jpo h HIS 123 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2jpo h HIS 123 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2jpo h HIS 123 CO 0.00 0.00 0.00 0.36 0.86 0.00 0.00 177.93 179.15 2jpo n LYS 124 N -3.02 2.83 -0.09 2.45 -0.00 -0.22 -3.90 118.16 116.21 2jpo n LYS 124 Ca -0.02 -2.56 -0.09 0.00 -0.00 0.00 0.00 58.31 55.63 2jpo n LYS 124 Cb 0.13 -1.53 -0.16 0.00 -0.00 0.00 0.00 35.03 33.46 2jpo n LYS 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jpo n LEU 125 N 1.38 0.09 -0.06 -5.58 4.77 -0.39 -5.01 117.00 112.21 2jpo n LEU 125 Ca 0.22 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 2jpo n LEU 125 Cb 0.60 0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 42.15 2jpo n LEU 125 CO 0.15 0.48 -0.01 0.59 -1.33 0.00 0.00 177.39 177.28 2jpo n ASN 126 N -2.77 -5.14 -4.67 -1.43 3.02 -0.96 -4.97 115.26 98.34 2jpo n ASN 126 Ca -0.31 0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 53.95 2jpo n ASN 126 Cb 1.14 -2.70 -0.09 0.00 -0.61 0.00 0.00 39.78 37.52 2jpo n ASN 126 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 2jpo s TRP 127 N -1.35 2.03 -0.05 3.10 1.48 -1.26 -5.12 118.94 117.77 2jpo s TRP 127 Ca 0.00 -0.91 0.00 0.00 -1.06 0.00 0.00 56.10 54.14 2jpo s TRP 127 Cb 0.00 -1.61 0.02 0.00 -1.16 0.00 0.00 33.47 30.72 2jpo s TRP 127 CO 0.00 0.24 -0.04 0.54 -4.06 0.00 0.00 176.95 173.64 2jpo s VAL 128 N -2.87 0.51 0.83 -0.66 0.11 -1.26 -4.80 120.40 112.25 2jpo s VAL 128 Ca 0.15 -0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 59.02 2jpo s VAL 128 Cb 0.04 -0.56 0.09 0.00 -1.53 0.00 0.00 36.38 34.42 2jpo s VAL 128 CO 0.08 0.23 1.11 -2.84 -3.33 0.00 0.00 175.10 170.35 2jpo s PRO 129 N 1.15 1.78 1.04 1.54 0.02 -1.26 -5.04 135.00 134.23 2jpo s PRO 129 Ca -0.07 1.30 -0.12 0.00 0.02 0.00 0.00 61.00 62.13 2jpo s PRO 129 Cb -0.14 -1.83 0.20 0.00 0.02 0.00 0.00 34.50 32.75 2jpo s PRO 129 CO -0.01 -2.02 1.01 0.09 -0.33 0.00 0.00 177.00 175.74 2jpo n ASN 130 N -3.79 -0.76 -0.21 2.53 3.02 -1.26 -4.67 115.26 110.12 2jpo n ASN 130 Ca 0.10 0.15 0.02 0.00 -0.03 0.00 0.00 54.58 54.82 2jpo n ASN 130 Cb 0.53 -1.35 0.11 0.00 -0.61 0.00 0.00 39.78 38.45 2jpo n ASN 130 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 2jpo h MET 131 N -2.23 0.14 0.17 3.52 1.85 -1.96 0.47 114.93 116.88 2jpo h MET 131 Ca -0.51 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 2jpo h MET 131 Cb 1.30 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.28 2jpo h MET 131 CO 0.44 0.09 -0.16 -0.44 -0.40 0.00 0.00 176.91 176.45 2jpo h ASP 132 N 0.15 -0.42 0.11 1.39 3.32 -1.93 -2.18 116.42 116.86 2jpo h ASP 132 Ca 0.33 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 2jpo h ASP 132 Cb 0.54 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2jpo h ASP 132 CO -0.52 -0.24 -0.08 -0.07 -1.72 0.00 0.00 179.24 176.61 2jpo h LEU 133 N -0.35 -0.21 -0.30 1.55 3.38 -1.66 0.14 115.31 117.86 2jpo h LEU 133 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2jpo h LEU 133 Cb 0.33 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2jpo h LEU 133 CO -0.04 -0.13 -0.10 0.58 0.09 0.00 0.00 178.44 178.84 2jpo h VAL 134 N -0.20 0.65 0.12 1.22 2.07 -0.85 -2.56 116.25 116.70 2jpo h VAL 134 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2jpo h VAL 134 Cb 0.18 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2jpo h VAL 134 CO -0.01 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 177.93 2jpo h ILE 135 N -0.03 1.08 -1.16 4.57 2.04 -1.24 -3.25 117.51 119.53 2jpo h ILE 135 Ca 0.15 -1.02 0.34 0.00 1.00 0.00 0.00 64.86 65.33 2jpo h ILE 135 Cb 0.26 1.70 -0.11 0.00 -0.74 0.00 0.00 36.82 37.93 2jpo h ILE 135 CO -0.33 0.23 0.74 1.23 0.00 0.00 0.00 178.15 180.03 2jpo h GLY 136 N -0.65 1.23 0.74 5.37 0.00 -0.50 -0.35 103.07 108.90 2jpo h GLY 136 Ca -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 2jpo h GLY 136 CO 0.03 -0.25 -0.36 0.83 0.00 0.00 0.00 176.54 176.79 2jpo h GLU 137 N 0.25 -0.96 -0.64 4.80 3.07 -1.50 -2.29 114.58 117.31 2jpo h GLU 137 Ca 0.69 0.07 0.10 0.00 -0.50 0.00 0.00 59.36 59.72 2jpo h GLU 137 Cb 1.97 0.22 -0.08 0.00 -0.84 0.00 0.00 28.75 30.02 2jpo h GLU 137 CO -0.35 -0.64 0.25 -0.24 -1.40 0.00 0.00 179.01 176.64 2jpo h VAL 138 N -1.26 0.76 0.00 3.13 3.04 -1.15 -0.72 116.25 120.05 2jpo h VAL 138 Ca -0.10 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.40 2jpo h VAL 138 Cb 0.76 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 2jpo h VAL 138 CO 0.17 0.08 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.56 2jpo h LEU 139 N 0.43 0.00 0.15 3.16 3.38 -1.26 -0.88 115.31 120.29 2jpo h LEU 139 Ca 0.33 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.00 2jpo h LEU 139 Cb 0.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2jpo h LEU 139 CO -0.32 0.17 -1.44 0.00 0.09 0.00 0.00 178.44 176.94 2jpo h ALA 140 N 1.83 0.13 0.35 1.53 0.00 -0.57 -3.38 119.26 119.14 2jpo h ALA 140 Ca -0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 2jpo h ALA 140 Cb 0.32 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jpo h ALA 140 CO 0.02 1.00 -0.17 1.49 0.00 0.00 0.00 179.25 181.60 2jpo h GLU 141 N 0.09 -0.45 0.00 0.00 4.57 -0.90 0.18 114.58 118.07 2jpo h GLU 141 Ca -0.22 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2jpo h GLU 141 Cb 2.03 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.73 2jpo h GLU 141 CO 0.20 -0.13 0.00 0.28 -1.18 0.00 0.00 179.01 178.18