#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 2.63 0.33 1.43 -0.04 -1.26 -4.82 135.00 133.27 2jpo n PRO 2 Ca 0.00 -2.65 -0.13 0.00 -0.04 0.00 0.00 63.50 60.68 2jpo n PRO 2 Cb 0.00 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.08 2jpo n PRO 2 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jpo h GLU 3 N 7.00 -0.80 -0.28 0.54 3.07 -2.09 -3.36 114.58 118.66 2jpo h GLU 3 Ca 0.49 0.05 -0.23 0.00 -0.50 0.00 0.00 59.36 59.17 2jpo h GLU 3 Cb 0.73 0.18 -0.30 0.00 -0.84 0.00 0.00 28.75 28.52 2jpo h GLU 3 CO 1.74 -0.53 -0.86 0.44 -1.40 0.00 0.00 179.01 178.39 2jpo n ILE 4 N -4.26 1.49 -2.13 3.13 -5.35 -1.26 -5.06 119.36 105.92 2jpo n ILE 4 Ca -0.10 -2.82 -0.42 0.00 -0.27 0.00 0.00 62.75 59.14 2jpo n ILE 4 Cb 0.33 0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.43 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 -2.61 4.26 -1.13 6.28 -1.94 -1.26 -3.94 119.30 118.96 2jpo s MET 5 Ca 0.38 2.08 -0.10 0.00 -1.71 0.00 0.00 55.69 56.34 2jpo s MET 5 Cb 0.37 -3.57 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 2jpo s MET 5 CO -0.06 -0.62 0.85 1.63 -0.01 0.00 0.00 175.02 176.80 2jpo n LYS 6 N 5.41 -2.53 -4.37 2.03 5.02 -1.26 -5.03 118.16 117.43 2jpo n LYS 6 Ca 0.14 0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 56.89 2jpo n LYS 6 Cb 0.43 -5.15 -0.11 0.00 -0.02 0.00 0.00 35.03 30.18 2jpo n LYS 6 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2jpo s ASN 7 N -3.61 2.93 -1.09 4.39 0.01 -1.25 -5.04 114.94 111.28 2jpo s ASN 7 Ca 0.37 -0.92 -0.11 0.00 -0.71 0.00 0.00 52.86 51.50 2jpo s ASN 7 Cb -0.09 -0.19 -0.07 0.00 0.41 0.00 0.00 41.25 41.31 2jpo s ASN 7 CO 0.79 -0.02 2.26 0.18 -1.51 0.00 0.00 177.10 178.80 2jpo n LEU 8 N 0.02 5.74 0.00 0.60 7.99 -1.26 -4.01 117.00 126.08 2jpo n LEU 8 Ca -0.11 -3.32 0.00 0.00 -0.01 0.00 0.00 56.01 52.57 2jpo n LEU 8 Cb 0.58 -1.25 0.00 0.00 -0.11 0.00 0.00 43.42 42.64 2jpo n LEU 8 CO 0.32 0.76 0.00 -1.20 -1.51 0.00 0.00 177.39 175.76 2jpo n SER 9 N 4.94 0.00 -0.29 -1.43 7.64 -1.26 -4.60 113.62 118.62 2jpo n SER 9 Ca 0.53 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.49 2jpo n SER 9 Cb 0.23 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.66 2jpo n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2jpo h ASN 10 N 0.00 0.49 -0.14 6.43 2.35 -1.90 -0.81 115.58 121.99 2jpo h ASN 10 Ca 0.00 0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 2jpo h ASN 10 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2jpo h ASN 10 CO 0.00 0.19 -0.27 0.78 -1.65 0.00 0.00 177.43 176.49 2jpo h ASN 11 N 0.59 0.48 0.37 5.81 2.35 -1.82 -0.76 115.58 122.59 2jpo h ASN 11 Ca 0.47 -0.55 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2jpo h ASN 11 Cb 0.69 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2jpo h ASN 11 CO -0.38 0.94 -0.18 0.15 -1.65 0.00 0.00 177.43 176.31 2jpo h PHE 12 N 0.04 -0.46 0.00 1.19 3.04 -1.55 -2.09 116.94 117.11 2jpo h PHE 12 Ca 0.01 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 2jpo h PHE 12 Cb 0.85 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 2jpo h PHE 12 CO 0.10 -0.28 -0.23 0.78 -2.02 0.00 0.00 178.31 176.66 2jpo h GLY 13 N -0.50 0.00 0.80 2.40 0.00 -1.23 -2.42 103.07 102.11 2jpo h GLY 13 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2jpo h GLY 13 CO 0.08 0.00 -0.04 1.70 0.00 0.00 0.00 176.54 178.29 2jpo h LYS 14 N 0.00 -0.03 -0.63 4.80 3.64 -0.48 0.23 116.57 124.11 2jpo h LYS 14 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2jpo h LYS 14 Cb 0.42 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2jpo h LYS 14 CO 0.03 -0.02 0.32 0.00 -2.27 0.00 0.00 179.45 177.51 2jpo h ALA 15 N 1.05 0.81 -0.07 5.00 0.00 -0.95 0.45 119.26 125.55 2jpo h ALA 15 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2jpo h ALA 15 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jpo h ALA 15 CO -0.10 0.35 -0.20 1.98 0.00 0.00 0.00 179.25 181.28 2jpo h MET 16 N 0.86 0.11 0.00 0.00 4.05 -1.11 -1.49 114.93 117.35 2jpo h MET 16 Ca 0.22 -0.03 -0.21 0.00 -0.28 0.00 0.00 59.70 59.39 2jpo h MET 16 Cb 0.09 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 2jpo h MET 16 CO -0.03 0.32 -1.07 0.22 0.23 0.00 0.00 176.91 176.57 2jpo h ASP 17 N 0.11 0.00 0.19 1.39 3.58 0.12 0.27 116.42 122.07 2jpo h ASP 17 Ca 0.02 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.48 2jpo h ASP 17 Cb 0.43 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2jpo h ASP 17 CO 0.03 0.96 -0.24 1.56 -2.88 0.00 0.00 179.24 178.67 2jpo h GLN 18 N 0.00 -0.47 -0.63 0.28 7.50 -0.75 -2.95 115.11 118.09 2jpo h GLN 18 Ca -0.05 0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.11 2jpo h GLN 18 Cb 1.78 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 29.38 2jpo h GLN 18 CO 0.12 -0.31 0.31 0.00 -1.50 0.00 0.00 178.83 177.45 2jpo n LYS 20 N -4.36 0.05 -0.01 0.00 4.81 0.93 -1.02 118.16 118.57 2jpo n LYS 20 Ca 0.06 0.48 -0.05 0.00 -0.87 0.00 0.00 58.31 57.92 2jpo n LYS 20 Cb 0.12 -1.65 -0.02 0.00 0.02 0.00 0.00 35.03 33.51 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 -1.76 1.14 -0.34 3.14 2.03 -0.29 -2.78 116.55 117.69 2jpo n ASP 21 Ca 0.01 0.17 0.19 0.00 0.52 0.00 0.00 54.79 55.68 2jpo n ASP 21 Cb 0.06 -0.41 0.42 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.33 0.51 -0.01 -0.67 4.39 -0.44 -1.04 114.58 117.00 2jpo h GLU 22 Ca -0.08 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2jpo h GLU 22 Cb 0.62 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2jpo h GLU 22 CO -0.05 0.34 -0.12 1.28 -1.16 0.00 0.00 179.01 179.30 2jpo n LEU 23 N -4.84 1.28 -3.74 1.33 4.77 -0.19 -5.02 117.00 110.59 2jpo n LEU 23 Ca 0.27 -0.84 -0.23 0.00 -0.03 0.00 0.00 56.01 55.19 2jpo n LEU 23 Cb 0.79 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.91 2jpo n LEU 23 CO 0.18 0.26 -0.05 -0.24 -1.33 0.00 0.00 177.39 176.21 2jpo n SER 24 N -0.05 -1.66 -4.74 -1.43 2.88 -0.40 -4.91 113.62 103.30 2jpo n SER 24 Ca 0.04 -0.82 -0.41 0.00 -1.33 0.00 0.00 58.87 56.35 2jpo n SER 24 Cb 0.19 -4.01 -0.03 0.00 -0.75 0.00 0.00 64.21 59.60 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 -6.77 4.41 0.65 2.46 1.43 -1.12 -4.95 118.68 114.79 2jpo s LEU 25 Ca 0.10 2.48 -0.14 0.00 -1.03 0.00 0.00 54.13 55.53 2jpo s LEU 25 Cb -0.05 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2jpo s LEU 25 CO 0.82 -0.58 1.08 -2.16 0.23 0.00 0.00 176.35 175.74 2jpo s PRO 26 N -0.18 2.97 0.36 1.29 0.04 -1.26 -4.79 135.00 133.43 2jpo s PRO 26 Ca 0.57 1.26 0.27 0.00 0.04 0.00 0.00 61.00 63.14 2jpo s PRO 26 Cb -0.38 -1.98 1.00 0.00 0.04 0.00 0.00 34.50 33.18 2jpo s PRO 26 CO 0.40 -1.10 1.80 0.22 0.04 0.00 0.00 177.00 178.35 2jpo h ASP 27 N 0.02 0.00 0.56 6.66 3.58 -1.98 0.99 116.42 126.25 2jpo h ASP 27 Ca -0.46 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 2jpo h ASP 27 Cb 1.23 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.28 2jpo h ASP 27 CO 0.55 0.00 -0.33 0.77 -2.88 0.00 0.00 179.24 177.36 2jpo h SER 28 N 0.00 -0.82 0.47 2.28 4.64 -1.98 0.85 113.55 118.99 2jpo h SER 28 Ca 0.00 0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 2jpo h SER 28 Cb 0.55 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2jpo h SER 28 CO 0.00 -0.52 -0.73 0.58 -0.87 0.00 0.00 176.83 175.29 2jpo h VAL 29 N -0.84 1.44 0.03 0.95 2.07 -1.65 0.15 116.25 118.41 2jpo h VAL 29 Ca -0.07 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.18 2jpo h VAL 29 Cb 0.67 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2jpo h VAL 29 CO 0.08 0.67 -0.02 0.58 0.02 0.00 0.00 177.57 178.90 2jpo h VAL 30 N 0.14 1.04 -0.56 2.57 2.07 -0.82 0.23 116.25 120.92 2jpo h VAL 30 Ca -0.02 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2jpo h VAL 30 Cb 1.29 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2jpo h VAL 30 CO 0.11 0.06 0.12 0.00 0.02 0.00 0.00 177.57 177.88 2jpo h ALA 31 N 0.82 1.16 0.01 1.67 0.00 -0.67 -1.55 119.26 120.70 2jpo h ALA 31 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jpo h ALA 31 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jpo h ALA 31 CO 0.01 0.57 -0.00 -0.44 0.00 0.00 0.00 179.25 179.38 2jpo h ASP 32 N 0.84 -0.01 -0.26 0.00 3.32 -0.52 -2.49 116.42 117.30 2jpo h ASP 32 Ca 0.18 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.22 2jpo h ASP 32 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2jpo h ASP 32 CO 0.00 0.05 0.18 0.25 -1.72 0.00 0.00 179.24 178.00 2jpo h LEU 33 N -0.07 0.15 -1.29 1.55 7.12 0.14 0.48 115.31 123.40 2jpo h LEU 33 Ca -0.00 -0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.93 2jpo h LEU 33 Cb 0.06 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 2jpo h LEU 33 CO 0.00 0.10 -0.35 1.88 -0.13 0.00 0.00 178.44 179.95 2jpo h TYR 34 N 0.17 0.00 0.00 1.25 -1.99 -1.11 -3.29 116.97 112.00 2jpo h TYR 34 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2jpo h TYR 34 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 2jpo h TYR 34 CO -0.00 0.35 -0.42 0.27 -0.00 0.00 0.00 178.16 178.36 2jpo n ASN 35 N -3.97 0.46 0.50 3.88 0.23 0.17 -4.49 115.26 112.04 2jpo n ASN 35 Ca -0.02 0.02 -0.20 0.00 -0.53 0.00 0.00 54.58 53.85 2jpo n ASN 35 Cb 0.40 0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 38.05 2jpo n ASN 35 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2jpo h PHE 36 N 0.00 -1.19 -0.08 -2.53 3.57 -1.50 -3.12 116.94 112.09 2jpo h PHE 36 Ca 0.00 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2jpo h PHE 36 Cb 0.57 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 2jpo h PHE 36 CO 0.00 -0.74 0.01 0.91 -2.23 0.00 0.00 178.31 176.26 2jpo n TRP 37 N -5.51 0.28 0.00 0.41 7.02 -1.26 -4.33 117.44 114.05 2jpo n TRP 37 Ca -0.16 -0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.19 2jpo n TRP 37 Cb 0.50 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 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 0.10 0.00 0.00 -0.99 5.02 -1.18 -4.77 118.16 116.34 2jpo n LYS 38 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2jpo n LYS 38 Cb 0.39 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 2jpo n LYS 38 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jpo n ASP 39 N -0.19 0.00 -3.53 4.39 -0.08 -1.26 -5.06 116.55 110.82 2jpo n ASP 39 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 2jpo n ASP 39 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jpo s ASP 40 N 0.46 3.16 0.06 1.67 -1.08 -1.26 -5.07 116.67 114.60 2jpo s ASP 40 Ca 0.00 -2.27 0.05 0.00 -0.52 0.00 0.00 52.55 49.80 2jpo s ASP 40 Cb 0.00 -0.56 -0.03 0.00 -1.46 0.00 0.00 42.92 40.87 2jpo s ASP 40 CO 0.00 -0.30 -0.13 -0.47 0.52 0.00 0.00 175.17 174.78 2jpo s TYR 41 N 0.92 1.15 -0.06 -5.34 6.14 -1.26 -5.15 117.35 113.74 2jpo s TYR 41 Ca 0.18 -0.43 0.03 0.00 0.64 0.00 0.00 57.07 57.48 2jpo s TYR 41 Cb -0.23 -0.66 0.01 0.00 0.42 0.00 0.00 41.96 41.49 2jpo s TYR 41 CO 0.00 0.04 -0.15 0.08 0.64 0.00 0.00 175.55 176.16 2jpo s VAL 42 N -1.17 1.33 0.55 3.14 1.01 -1.26 -4.90 120.40 119.10 2jpo s VAL 42 Ca -0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2jpo s VAL 42 Cb -0.09 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2jpo s VAL 42 CO 0.02 0.40 0.97 -0.04 0.00 0.00 0.00 175.10 176.44 2jpo s MET 43 N 0.42 3.76 0.00 2.72 -1.94 -1.26 -5.02 119.30 117.98 2jpo s MET 43 Ca -0.12 0.77 0.00 0.00 -1.71 0.00 0.00 55.69 54.63 2jpo s MET 43 Cb -0.15 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.54 2jpo s MET 43 CO 0.04 -0.37 0.00 0.25 -0.01 0.00 0.00 175.02 174.93 2jpo n THR 44 N -2.10 0.00 -3.54 2.05 -2.24 -1.26 -5.06 114.28 102.13 2jpo n THR 44 Ca 0.06 -0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.42 2jpo n THR 44 Cb 0.54 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.34 6.69 0.40 3.42 -1.08 -1.26 -5.00 116.67 118.51 2jpo s ASP 45 Ca 0.00 0.83 0.09 0.00 -0.52 0.00 0.00 52.55 52.95 2jpo s ASP 45 Cb 0.00 -2.22 0.87 0.00 -1.46 0.00 0.00 42.92 40.11 2jpo s ASP 45 CO 0.00 0.28 1.99 0.08 0.52 0.00 0.00 175.17 178.03 2jpo h ARG 46 N 5.18 0.57 0.00 4.34 0.11 -1.97 -2.94 114.38 119.66 2jpo h ARG 46 Ca -0.50 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.52 2jpo h ARG 46 Cb 1.21 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2jpo h ARG 46 CO 0.64 0.38 -0.14 -0.07 0.10 0.00 0.00 179.97 180.88 2jpo h LEU 47 N 0.59 0.00 -0.57 0.08 -0.00 -1.95 -2.70 115.31 110.75 2jpo h LEU 47 Ca 0.27 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 58.26 2jpo h LEU 47 Cb 0.30 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.86 2jpo h LEU 47 CO -0.08 0.14 -0.09 0.00 -0.00 0.00 0.00 178.44 178.40 2jpo h ALA 48 N 1.86 0.45 0.00 1.53 0.00 -1.86 0.14 119.26 121.38 2jpo h ALA 48 Ca -0.00 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2jpo h ALA 48 Cb 0.28 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jpo h ALA 48 CO 0.02 -0.42 -0.28 0.78 0.00 0.00 0.00 179.25 179.35 2jpo h GLY 49 N 0.04 0.00 0.94 0.00 0.00 -1.65 -1.54 103.07 100.86 2jpo h GLY 49 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 2jpo h GLY 49 CO -0.55 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 175.76 2jpo h ALA 51 N 0.71 0.19 -0.56 0.00 0.00 -0.45 -0.89 119.26 118.27 2jpo h ALA 51 Ca 0.05 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jpo h ALA 51 Cb 0.79 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2jpo h ALA 51 CO 0.06 -0.24 0.18 0.82 0.00 0.00 0.00 179.25 180.07 2jpo h ILE 52 N 0.09 0.77 -0.77 0.00 2.04 -1.33 0.12 117.51 118.45 2jpo h ILE 52 Ca 0.05 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2jpo h ILE 52 Cb 0.14 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 2jpo h ILE 52 CO -0.01 0.06 0.50 0.78 0.00 0.00 0.00 178.15 179.49 2jpo h ASN 53 N 0.35 0.76 0.75 1.72 2.35 -0.89 -1.84 115.58 118.78 2jpo h ASN 53 Ca 0.28 -0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.80 2jpo h ASN 53 Cb 0.34 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2jpo h ASN 53 CO -0.30 0.50 -1.03 0.00 -1.65 0.00 0.00 177.43 174.96 2jpo h LEU 55 N 0.06 1.13 -1.30 0.00 4.07 -0.46 -2.97 115.31 115.83 2jpo h LEU 55 Ca -0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 2jpo h LEU 55 Cb 1.73 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 43.19 2jpo h LEU 55 CO 0.15 0.86 -0.07 0.00 -1.08 0.00 0.00 178.44 178.30 2jpo h ALA 56 N 1.32 1.01 -0.55 1.53 0.00 -1.25 0.50 119.26 121.82 2jpo h ALA 56 Ca 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jpo h ALA 56 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jpo h ALA 56 CO -0.07 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.52 2jpo n THR 57 N -3.19 0.72 -2.42 0.00 -2.24 -1.13 -4.22 114.28 101.80 2jpo n THR 57 Ca 0.01 -0.77 -0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2jpo n THR 57 Cb 0.35 0.50 0.06 0.00 -2.10 0.00 0.00 70.33 69.14 2jpo n THR 57 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jpo n LYS 58 N 1.26 1.19 0.21 -0.78 5.02 0.15 -4.83 118.16 120.37 2jpo n LYS 58 Ca 0.20 -2.92 0.17 0.00 -2.02 0.00 0.00 58.31 53.74 2jpo n LYS 58 Cb 0.52 -1.01 0.83 0.00 -0.02 0.00 0.00 35.03 35.35 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 1.64 0.00 0.00 -0.35 3.38 -1.68 0.33 115.31 118.63 2jpo h LEU 59 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jpo h LEU 59 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2jpo h LEU 59 CO 0.18 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.04 2jpo n ASP 60 N -3.85 0.00 0.00 -0.43 2.03 -1.26 -0.55 116.55 112.49 2jpo n ASP 60 Ca 0.01 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2jpo n ASP 60 Cb 0.30 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2jpo n ASP 60 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2jpo n VAL 61 N -1.27 0.00 -0.16 5.18 3.14 -0.08 -3.78 118.33 121.36 2jpo n VAL 61 Ca 0.10 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.42 2jpo n VAL 61 Cb 0.16 -0.58 0.03 0.00 -1.06 0.00 0.00 33.84 32.38 2jpo n VAL 61 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2jpo h VAL 62 N 0.00 1.08 -2.43 1.55 2.07 -0.98 -3.39 116.25 114.14 2jpo h VAL 62 Ca 0.00 -0.21 -0.59 0.00 0.82 0.00 0.00 66.70 66.72 2jpo h VAL 62 Cb 0.91 0.40 -0.39 0.00 -1.52 0.00 0.00 31.29 30.70 2jpo h VAL 62 CO 0.00 0.11 -0.92 -0.67 0.02 0.00 0.00 177.57 176.11 2jpo n ASP 63 N -4.79 0.16 0.00 0.57 2.03 0.29 -4.30 116.55 110.52 2jpo n ASP 63 Ca 0.03 -2.54 0.06 0.00 0.52 0.00 0.00 54.79 52.86 2jpo n ASP 63 Cb 0.06 -0.59 0.31 0.00 -0.72 0.00 0.00 41.12 40.17 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 2.54 0.10 -0.22 -0.67 -0.04 -1.25 -1.50 135.00 133.97 2jpo n PRO 64 Ca 0.28 0.21 -0.05 0.00 -0.04 0.00 0.00 63.50 63.90 2jpo n PRO 64 Cb 0.46 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2jpo n PRO 64 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2jpo h ASP 65 N 0.00 0.67 0.00 3.54 1.82 -1.92 -3.48 116.42 117.05 2jpo h ASP 65 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2jpo h ASP 65 Cb 0.17 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2jpo h ASP 65 CO 0.00 0.48 0.00 0.61 -1.61 0.00 0.00 179.24 178.72 2jpo n GLY 66 N -1.27 0.64 0.42 -0.78 0.00 -0.56 -5.06 105.19 98.58 2jpo n GLY 66 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 1.51 -4.66 1.61 3.02 -1.26 -4.95 115.26 110.53 2jpo n ASN 67 Ca 0.00 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 2jpo n ASN 67 Cb 0.00 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 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 -6.56 4.30 0.26 3.41 0.20 -1.26 -4.01 118.68 115.02 2jpo s LEU 68 Ca -0.20 2.16 -0.01 0.00 0.69 0.00 0.00 54.13 56.77 2jpo s LEU 68 Cb 0.07 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.27 2jpo s LEU 68 CO 0.28 -0.91 0.28 -1.00 -0.29 0.00 0.00 176.35 174.70 2jpo s HIS 69 N 3.98 1.16 0.02 5.38 3.76 -0.75 -4.77 115.29 124.08 2jpo s HIS 69 Ca 0.71 -1.33 -0.36 0.00 -0.15 0.00 0.00 55.06 53.93 2jpo s HIS 69 Cb -0.32 -0.40 -0.15 0.00 1.11 0.00 0.00 32.58 32.82 2jpo s HIS 69 CO 0.28 -0.83 1.58 1.58 -0.85 0.00 0.00 174.74 176.50 2jpo n HIS 70 N -0.42 1.99 -0.95 1.40 -0.00 -1.26 -0.91 115.22 115.07 2jpo n HIS 70 Ca 0.03 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.59 2jpo n HIS 70 Cb 0.64 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 2jpo n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jpo n GLY 71 N 3.41 0.06 2.31 1.57 0.00 0.62 -4.87 105.19 108.29 2jpo n GLY 71 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.80 0.97 -0.11 1.61 5.15 -0.09 -4.84 115.26 117.15 2jpo n ASN 72 Ca 0.00 -2.82 0.14 0.00 -0.60 0.00 0.00 54.58 51.30 2jpo n ASN 72 Cb 0.40 -0.64 0.65 0.00 -0.53 0.00 0.00 39.78 39.67 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 1.56 2.71 0.23 5.20 0.00 -1.26 -1.81 120.51 127.14 2jpo n ALA 73 Ca 0.24 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 2jpo n ALA 73 Cb 0.49 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 0.53 -0.57 -0.41 0.00 1.63 -1.88 0.13 116.57 116.00 2jpo h LYS 74 Ca 0.00 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 2jpo h LYS 74 Cb 0.32 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2jpo h LYS 74 CO 0.00 -0.38 0.27 -0.44 -3.45 0.00 0.00 179.45 175.45 2jpo h ASP 75 N -0.71 0.43 0.21 4.20 5.19 -1.81 0.83 116.42 124.76 2jpo h ASP 75 Ca -0.06 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2jpo h ASP 75 Cb 0.46 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2jpo h ASP 75 CO 0.10 0.31 -0.10 0.15 -3.12 0.00 0.00 179.24 176.58 2jpo h PHE 76 N 0.51 -0.26 -0.79 4.55 3.57 -1.63 -1.52 116.94 121.36 2jpo h PHE 76 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2jpo h PHE 76 Cb 0.01 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2jpo h PHE 76 CO -0.00 -0.04 0.45 0.00 -2.23 0.00 0.00 178.31 176.50 2jpo h ALA 77 N 0.29 1.01 -0.51 2.41 0.00 -0.13 -2.61 119.26 119.73 2jpo h ALA 77 Ca -0.03 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jpo h ALA 77 Cb 0.35 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2jpo h ALA 77 CO 0.05 0.50 0.22 0.52 0.00 0.00 0.00 179.25 180.54 2jpo h MET 78 N 1.09 0.42 0.00 0.00 2.86 -0.72 -0.74 114.93 117.84 2jpo h MET 78 Ca 0.28 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2jpo h MET 78 Cb 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2jpo h MET 78 CO -0.05 0.28 0.00 1.63 1.06 0.00 0.00 176.91 179.83 2jpo n LYS 79 N -4.94 0.04 -0.10 1.72 4.76 -0.58 -3.68 118.16 115.37 2jpo n LYS 79 Ca 0.05 0.28 -0.17 0.00 -2.87 0.00 0.00 58.31 55.60 2jpo n LYS 79 Cb 0.17 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.74 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 -1.64 0.00 0.00 2.13 8.25 -0.52 -5.03 115.22 118.41 2jpo n HIS 80 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2jpo n HIS 80 Cb 0.18 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.62 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 1.48 0.00 3.14 -1.41 0.00 -0.40 -5.12 105.19 102.88 2jpo n GLY 81 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.58 0.43 4.61 0.00 -0.76 -4.96 121.76 121.65 2jpo s ALA 82 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.77 2jpo s ALA 82 Cb 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2jpo s ALA 82 CO 0.00 -0.45 0.29 -0.51 0.00 0.00 0.00 175.76 175.08 2jpo s ASP 83 N -2.98 4.71 0.35 0.00 1.11 -1.26 -4.07 116.67 114.54 2jpo s ASP 83 Ca 0.15 -0.96 0.14 0.00 0.18 0.00 0.00 52.55 52.07 2jpo s ASP 83 Cb 0.07 -0.42 1.00 0.00 1.07 0.00 0.00 42.92 44.64 2jpo s ASP 83 CO -0.04 -0.65 1.73 -0.33 1.18 0.00 0.00 175.17 177.06 2jpo h GLU 84 N 1.19 0.45 0.76 8.23 5.08 -1.98 0.10 114.58 128.42 2jpo h GLU 84 Ca -0.42 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2jpo h GLU 84 Cb 1.26 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jpo h GLU 84 CO 0.63 0.30 -0.47 1.15 -1.00 0.00 0.00 179.01 179.62 2jpo h THR 85 N 0.47 0.06 0.14 1.13 2.02 -1.97 0.23 112.91 114.98 2jpo h THR 85 Ca 0.65 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.83 2jpo h THR 85 Cb 1.44 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2jpo h THR 85 CO -0.44 0.00 -0.07 0.24 0.37 0.00 0.00 175.52 175.62 2jpo h MET 86 N -1.15 -0.18 -0.40 6.66 2.86 -1.56 0.17 114.93 121.33 2jpo h MET 86 Ca -0.10 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.63 2jpo h MET 86 Cb 0.93 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.56 2jpo h MET 86 CO 0.10 -0.04 -0.06 0.00 1.06 0.00 0.00 176.91 177.97 2jpo h ALA 87 N 0.58 0.31 -0.00 6.32 0.00 -0.86 0.11 119.26 125.71 2jpo h ALA 87 Ca -0.02 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2jpo h ALA 87 Cb 0.22 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jpo h ALA 87 CO 0.03 -0.43 -0.57 0.37 0.00 0.00 0.00 179.25 178.65 2jpo h GLN 88 N 0.04 0.01 0.60 0.00 5.75 -0.27 -1.11 115.11 120.14 2jpo h GLN 88 Ca 0.20 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 2jpo h GLN 88 Cb 0.29 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.85 2jpo h GLN 88 CO -0.38 0.58 -0.29 1.96 -2.65 0.00 0.00 178.83 178.06 2jpo h GLN 89 N 0.01 -0.77 -0.44 1.69 4.20 0.29 -2.26 115.11 117.83 2jpo h GLN 89 Ca -0.01 0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.85 2jpo h GLN 89 Cb 1.02 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 28.88 2jpo h GLN 89 CO 0.08 -0.48 -0.19 -0.07 -0.67 0.00 0.00 178.83 177.50 2jpo h LEU 90 N -0.89 -0.65 -1.49 1.46 4.07 -0.63 -0.01 115.31 117.16 2jpo h LEU 90 Ca -0.08 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2jpo h LEU 90 Cb 0.64 0.36 -0.03 0.00 1.08 0.00 0.00 40.66 42.72 2jpo h LEU 90 CO 0.13 -0.22 0.34 1.62 -1.08 0.00 0.00 178.44 179.23 2jpo h VAL 91 N -0.09 1.13 -0.11 1.22 3.04 -1.23 -0.52 116.25 119.69 2jpo h VAL 91 Ca 0.21 -0.24 -0.09 0.00 -1.01 0.00 0.00 66.70 65.57 2jpo h VAL 91 Cb 0.42 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 2jpo h VAL 91 CO -0.51 0.13 -0.35 -0.78 -1.01 0.00 0.00 177.57 175.05 2jpo h ASP 92 N 0.70 0.23 -0.69 3.17 3.58 -0.44 -0.93 116.42 122.05 2jpo h ASP 92 Ca 0.19 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2jpo h ASP 92 Cb -0.08 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 2jpo h ASP 92 CO -0.04 0.57 0.36 0.40 -2.88 0.00 0.00 179.24 177.65 2jpo h ILE 93 N 0.19 1.22 -0.08 2.25 1.08 0.38 0.23 117.51 122.78 2jpo h ILE 93 Ca 0.02 -0.57 -0.18 0.00 -0.39 0.00 0.00 64.86 63.75 2jpo h ILE 93 Cb 0.72 0.34 0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2jpo h ILE 93 CO 0.05 0.24 -0.64 -0.29 -0.69 0.00 0.00 178.15 176.83 2jpo h ILE 94 N 0.94 1.35 -0.88 -0.67 6.09 -1.17 -0.66 117.51 122.51 2jpo h ILE 94 Ca 0.24 -1.96 0.00 0.00 -1.37 0.00 0.00 64.86 61.77 2jpo h ILE 94 Cb 0.06 2.26 -0.04 0.00 0.47 0.00 0.00 36.82 39.57 2jpo h ILE 94 CO -0.04 0.59 0.56 0.45 -3.07 0.00 0.00 178.15 176.64 2jpo h HIS 95 N 0.19 1.13 0.05 2.19 3.86 -1.07 0.20 115.15 121.70 2jpo h HIS 95 Ca -0.06 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2jpo h HIS 95 Cb 1.30 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2jpo h HIS 95 CO 0.11 0.73 -0.02 0.78 0.86 0.00 0.00 177.93 180.39 2jpo h GLY 96 N 1.21 -0.07 0.97 2.45 0.00 -0.43 -2.57 103.07 104.64 2jpo h GLY 96 Ca 0.32 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 2jpo h GLY 96 CO -0.06 -0.02 0.09 0.00 0.00 0.00 0.00 176.54 176.55 2jpo h GLU 98 N 0.67 1.12 0.11 0.00 4.11 -0.59 -0.21 114.58 119.79 2jpo h GLU 98 Ca 0.15 -0.28 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 2jpo h GLU 98 Cb 0.37 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2jpo h GLU 98 CO 0.01 1.00 -0.05 0.87 0.07 0.00 0.00 179.01 180.90 2jpo h LYS 99 N 1.06 -0.14 0.00 1.06 6.56 -1.40 -3.25 116.57 120.46 2jpo h LYS 99 Ca 0.22 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 2jpo h LYS 99 Cb 0.39 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2jpo h LYS 99 CO 0.01 0.34 0.00 0.43 -2.06 0.00 0.00 179.45 178.16 2jpo n SER 100 N -4.85 0.00 -4.38 0.86 7.64 -0.20 -4.90 113.62 107.78 2jpo n SER 100 Ca -0.07 -0.30 -0.38 0.00 1.01 0.00 0.00 58.87 59.13 2jpo n SER 100 Cb 0.27 -0.06 0.03 0.00 -1.01 0.00 0.00 64.21 63.44 2jpo n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpo n ALA 101 N -1.06 -1.93 -0.99 -0.43 0.00 -0.09 -4.97 120.51 111.03 2jpo n ALA 101 Ca 0.09 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 2jpo n ALA 101 Cb 0.06 -1.68 0.23 0.00 0.00 0.00 0.00 19.45 18.06 2jpo n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jpo s PRO 102 N -1.83 -0.95 -0.83 0.00 0.04 -1.26 -4.90 135.00 125.27 2jpo s PRO 102 Ca 0.64 0.18 -0.25 0.00 0.04 0.00 0.00 61.00 61.61 2jpo s PRO 102 Cb -0.44 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2jpo s PRO 102 CO 0.59 -3.58 1.82 -1.25 0.04 0.00 0.00 177.00 174.62 2jpo s PRO 103 N -5.17 2.74 -0.30 0.56 0.04 -1.26 -4.81 135.00 126.81 2jpo s PRO 103 Ca 0.69 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.44 2jpo s PRO 103 Cb -0.14 -4.87 0.13 0.00 0.04 0.00 0.00 34.50 29.65 2jpo s PRO 103 CO 0.57 -2.99 0.73 1.21 0.04 0.00 0.00 177.00 176.56 2jpo s ASN 104 N 7.41 -0.99 -0.01 6.66 2.47 -1.26 -5.17 114.94 124.04 2jpo s ASN 104 Ca 0.64 1.40 0.03 0.00 0.42 0.00 0.00 52.86 55.35 2jpo s ASN 104 Cb -0.07 1.97 -0.03 0.00 -1.45 0.00 0.00 41.25 41.66 2jpo s ASN 104 CO 0.05 -0.20 -0.06 1.51 -3.72 0.00 0.00 177.10 174.67 2jpo s ASP 105 N 2.50 4.66 0.00 -4.21 1.47 -1.26 -4.51 116.67 115.31 2jpo s ASP 105 Ca -0.06 -0.11 0.00 0.00 1.18 0.00 0.00 52.55 53.55 2jpo s ASP 105 Cb -0.09 -1.11 0.00 0.00 -0.34 0.00 0.00 42.92 41.38 2jpo s ASP 105 CO -0.19 0.30 0.00 -0.67 0.68 0.00 0.00 175.17 175.29 2jpo n ASP 106 N 1.68 0.00 -0.09 2.11 -0.08 -1.26 -4.76 116.55 114.14 2jpo n ASP 106 Ca -0.16 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 52.94 2jpo n ASP 106 Cb 0.53 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.88 2jpo n ASP 106 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2jpo h LYS 107 N 0.00 0.00 0.12 -0.67 1.57 -1.97 -3.40 116.57 112.21 2jpo h LYS 107 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2jpo h LYS 107 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jpo h LYS 107 CO 0.00 0.85 -0.06 0.00 -0.57 0.00 0.00 179.45 179.67 2jpo h MET 109 N -1.02 0.86 -0.74 0.00 2.86 -1.87 -0.57 114.93 114.44 2jpo h MET 109 Ca -0.02 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2jpo h MET 109 Cb 0.26 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2jpo h MET 109 CO 0.03 0.69 0.46 -0.22 1.06 0.00 0.00 176.91 178.92 2jpo h LYS 110 N 0.81 0.85 -0.69 1.72 3.64 -1.79 -1.27 116.57 119.85 2jpo h LYS 110 Ca 0.21 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2jpo h LYS 110 Cb 0.11 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2jpo h LYS 110 CO -0.03 0.56 0.46 1.15 -2.27 0.00 0.00 179.45 179.32 2jpo h THR 111 N 0.87 0.99 -0.20 1.00 2.02 -0.11 0.19 112.91 117.67 2jpo h THR 111 Ca 0.31 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2jpo h THR 111 Cb 0.08 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2jpo h THR 111 CO -0.14 0.12 0.03 0.40 0.37 0.00 0.00 175.52 176.31 2jpo h ILE 112 N 0.68 1.22 -0.14 3.11 2.04 -0.12 0.90 117.51 125.20 2jpo h ILE 112 Ca 0.30 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.46 2jpo h ILE 112 Cb 0.32 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2jpo h ILE 112 CO -0.10 0.23 -0.08 0.44 0.00 0.00 0.00 178.15 178.63 2jpo h ASP 113 N 0.13 -0.27 -0.41 1.72 3.32 -0.58 0.84 116.42 121.17 2jpo h ASP 113 Ca 0.06 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 2jpo h ASP 113 Cb 0.31 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2jpo h ASP 113 CO 0.00 -0.11 -0.30 0.58 -1.72 0.00 0.00 179.24 177.69 2jpo h VAL 114 N -0.08 1.27 -0.10 -1.35 2.07 -0.92 -0.24 116.25 116.90 2jpo h VAL 114 Ca 0.08 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 2jpo h VAL 114 Cb 0.20 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2jpo h VAL 114 CO -0.20 0.50 0.02 0.00 0.02 0.00 0.00 177.57 177.91 2jpo h ALA 115 N 0.85 0.13 -0.64 1.67 0.00 -0.58 -0.36 119.26 120.32 2jpo h ALA 115 Ca 0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2jpo h ALA 115 Cb 0.89 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2jpo h ALA 115 CO 0.08 -0.22 0.16 0.00 0.00 0.00 0.00 179.25 179.27 2jpo h MET 116 N -0.07 1.01 -0.78 0.00 -0.00 -0.80 -2.17 114.93 112.12 2jpo h MET 116 Ca 0.03 -0.22 0.07 0.00 -0.00 0.00 0.00 59.70 59.57 2jpo h MET 116 Cb 0.28 -0.14 -0.06 0.00 -0.00 0.00 0.00 31.60 31.68 2jpo h MET 116 CO 0.00 0.89 0.46 0.00 -0.00 0.00 0.00 176.91 178.26 2jpo h PHE 118 N 0.83 -1.31 0.00 0.00 3.04 -0.39 0.27 116.94 119.39 2jpo h PHE 118 Ca 0.35 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.33 2jpo h PHE 118 Cb 0.21 0.56 -0.00 0.00 2.56 0.00 0.00 35.95 39.28 2jpo h PHE 118 CO -0.05 -0.54 -0.05 -0.22 -2.02 0.00 0.00 178.31 175.43 2jpo h LYS 119 N -0.65 0.00 -0.32 1.11 3.64 -1.41 0.10 116.57 119.04 2jpo h LYS 119 Ca 0.03 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2jpo h LYS 119 Cb 0.70 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jpo h LYS 119 CO -0.30 0.05 -0.09 -0.22 -2.27 0.00 0.00 179.45 176.62 2jpo h LYS 120 N 0.00 0.63 0.00 1.90 3.11 -0.33 -3.22 116.57 118.67 2jpo h LYS 120 Ca -0.00 -0.25 -0.10 0.00 -2.81 0.00 0.00 60.65 57.49 2jpo h LYS 120 Cb 0.11 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 2jpo h LYS 120 CO 0.01 0.82 -0.47 0.93 -2.81 0.00 0.00 179.45 177.93 2jpo h GLU 121 N 0.41 0.00 -0.39 1.90 5.08 0.13 -3.05 114.58 118.66 2jpo h GLU 121 Ca 0.08 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.55 2jpo h GLU 121 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2jpo h GLU 121 CO 0.03 0.47 0.59 0.82 -1.00 0.00 0.00 179.01 179.92 2jpo h ILE 122 N 0.00 0.19 -0.94 3.13 2.04 -0.89 0.16 117.51 121.20 2jpo h ILE 122 Ca -0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 2jpo h ILE 122 Cb 1.06 0.50 -0.11 0.00 -0.74 0.00 0.00 36.82 37.53 2jpo h ILE 122 CO 0.06 0.00 0.52 0.45 0.00 0.00 0.00 178.15 179.18 2jpo h HIS 123 N 0.00 0.90 0.00 1.37 3.86 -1.69 -0.18 115.15 119.40 2jpo h HIS 123 Ca 0.18 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 2jpo h HIS 123 Cb 1.36 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 2jpo h HIS 123 CO 0.00 0.16 -0.18 1.57 0.86 0.00 0.00 177.93 180.34 2jpo h LYS 124 N 0.65 0.00 -0.27 2.45 2.10 -0.94 -2.69 116.57 117.87 2jpo h LYS 124 Ca 0.54 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.14 2jpo h LYS 124 Cb 0.87 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 2jpo h LYS 124 CO -0.41 0.18 -0.05 -0.07 -2.00 0.00 0.00 179.45 177.10 2jpo h LEU 125 N 0.00 0.52 0.00 7.07 3.38 -1.16 -3.47 115.31 121.65 2jpo h LEU 125 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2jpo h LEU 125 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jpo h LEU 125 CO 0.02 0.76 0.00 0.59 0.09 0.00 0.00 178.44 179.90 2jpo n ASN 126 N -4.53 0.00 -4.88 -0.43 5.03 -1.02 -5.01 115.26 104.42 2jpo n ASN 126 Ca -0.03 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.17 2jpo n ASN 126 Cb 0.30 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.04 2jpo n ASN 126 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 2jpo s TRP 127 N -3.16 2.05 -0.30 3.10 1.48 -1.26 -5.10 118.94 115.75 2jpo s TRP 127 Ca 0.00 -0.71 0.02 0.00 -1.06 0.00 0.00 56.10 54.35 2jpo s TRP 127 Cb 0.00 -2.00 0.07 0.00 -1.16 0.00 0.00 33.47 30.38 2jpo s TRP 127 CO 0.00 -0.31 -0.03 0.08 -4.06 0.00 0.00 176.95 172.63 2jpo s VAL 128 N -2.66 2.48 0.94 -0.66 1.01 -1.26 -4.88 120.40 115.37 2jpo s VAL 128 Ca 0.40 -1.76 -0.11 0.00 0.00 0.00 0.00 61.98 60.51 2jpo s VAL 128 Cb -0.02 -2.55 0.16 0.00 0.00 0.00 0.00 36.38 33.98 2jpo s VAL 128 CO 0.24 -0.22 1.11 -2.84 0.00 0.00 0.00 175.10 173.39 2jpo s PRO 129 N 1.10 0.83 0.94 2.72 0.02 -1.26 -5.02 135.00 134.32 2jpo s PRO 129 Ca -0.03 1.27 -0.11 0.00 0.02 0.00 0.00 61.00 62.16 2jpo s PRO 129 Cb -0.20 -1.73 0.12 0.00 0.02 0.00 0.00 34.50 32.72 2jpo s PRO 129 CO -0.05 -2.67 0.92 0.09 -0.33 0.00 0.00 177.00 174.97 2jpo n ASN 130 N -4.23 -0.44 -0.11 2.53 3.02 -1.26 -4.86 115.26 109.90 2jpo n ASN 130 Ca 0.09 0.37 -0.05 0.00 -0.03 0.00 0.00 54.58 54.96 2jpo n ASN 130 Cb 0.53 -1.39 0.02 0.00 -0.61 0.00 0.00 39.78 38.33 2jpo n ASN 130 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2jpo h MET 131 N -1.84 0.05 -0.45 3.52 2.86 -1.96 -2.53 114.93 114.58 2jpo h MET 131 Ca -0.44 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.29 2jpo h MET 131 Cb 1.28 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.84 2jpo h MET 131 CO 0.39 0.03 -0.08 -0.44 1.06 0.00 0.00 176.91 177.87 2jpo h ASP 132 N 0.05 -0.36 0.22 1.22 5.19 -1.97 -0.52 116.42 120.24 2jpo h ASP 132 Ca 0.18 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.72 2jpo h ASP 132 Cb 0.27 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 2jpo h ASP 132 CO -0.35 -0.13 -0.34 -0.07 -3.12 0.00 0.00 179.24 175.23 2jpo h LEU 133 N 0.03 -0.99 -1.22 1.55 4.07 -1.90 0.14 115.31 116.99 2jpo h LEU 133 Ca 0.22 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.26 2jpo h LEU 133 Cb 0.33 0.34 -0.03 0.00 1.08 0.00 0.00 40.66 42.39 2jpo h LEU 133 CO -0.44 -0.41 0.35 0.58 -1.08 0.00 0.00 178.44 177.43 2jpo h VAL 134 N -0.60 1.19 0.49 1.22 2.07 -0.94 -1.86 116.25 117.83 2jpo h VAL 134 Ca -0.03 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2jpo h VAL 134 Cb 0.55 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2jpo h VAL 134 CO -0.11 0.22 -0.24 0.40 0.02 0.00 0.00 177.57 177.86 2jpo h ILE 135 N 0.89 0.36 -1.03 4.57 2.04 -1.14 -3.33 117.51 119.87 2jpo h ILE 135 Ca 0.23 -0.46 0.26 0.00 1.00 0.00 0.00 64.86 65.89 2jpo h ILE 135 Cb 0.02 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 2jpo h ILE 135 CO -0.04 0.06 0.65 1.23 0.00 0.00 0.00 178.15 180.05 2jpo h GLY 136 N -0.99 1.34 0.89 5.37 0.00 -0.10 -2.21 103.07 107.37 2jpo h GLY 136 Ca -0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2jpo h GLY 136 CO 0.11 -0.15 -0.19 -2.09 0.00 0.00 0.00 176.54 174.23 2jpo h GLU 137 N 0.44 0.58 -0.56 4.80 4.57 -1.47 -2.10 114.58 120.84 2jpo h GLU 137 Ca 0.60 -0.28 0.09 0.00 -1.18 0.00 0.00 59.36 58.59 2jpo h GLU 137 Cb 1.43 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.95 2jpo h GLU 137 CO -0.33 0.86 0.18 0.28 -1.18 0.00 0.00 179.01 178.82 2jpo h VAL 138 N 0.30 0.75 0.00 0.32 2.07 -1.53 -2.40 116.25 115.76 2jpo h VAL 138 Ca 0.05 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2jpo h VAL 138 Cb 0.72 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2jpo h VAL 138 CO 0.05 0.06 -0.40 -0.07 0.02 0.00 0.00 177.57 177.23 2jpo h LEU 139 N 0.34 0.00 -0.34 2.57 3.38 -1.39 0.12 115.31 119.99 2jpo h LEU 139 Ca 0.28 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 2jpo h LEU 139 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2jpo h LEU 139 CO -0.31 0.40 -0.84 0.00 0.09 0.00 0.00 178.44 177.78 2jpo h ALA 140 N 1.60 0.59 0.03 1.53 0.00 -1.07 -3.37 119.26 118.57 2jpo h ALA 140 Ca -0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 54.91 54.04 2jpo h ALA 140 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jpo h ALA 140 CO 0.05 0.94 -0.78 1.49 0.00 0.00 0.00 179.25 180.95 2jpo h GLU 141 N 0.07 0.07 0.00 0.00 4.57 -0.89 0.18 114.58 118.57 2jpo h GLU 141 Ca -0.03 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2jpo h GLU 141 Cb 1.45 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 2jpo h GLU 141 CO 0.12 1.06 0.00 0.28 -1.18 0.00 0.00 179.01 179.29