#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpo s PRO 2 N 0.00 3.15 0.31 4.33 0.04 -1.26 -4.76 135.00 136.82 2jpo s PRO 2 Ca 0.00 -1.03 0.26 0.00 0.04 0.00 0.00 61.00 60.26 2jpo s PRO 2 Cb 0.00 -5.28 0.85 0.00 0.04 0.00 0.00 34.50 30.11 2jpo s PRO 2 CO 0.00 -2.90 1.76 1.49 0.04 0.00 0.00 177.00 177.39 2jpo h GLU 3 N 9.83 0.00 -5.90 4.56 4.81 -2.09 -3.47 114.58 122.32 2jpo h GLU 3 Ca 0.22 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.15 2jpo h GLU 3 Cb 0.97 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.19 2jpo h GLU 3 CO 1.33 0.00 -0.43 0.44 -0.73 0.00 0.00 179.01 179.62 2jpo n ILE 4 N -2.53 -0.12 -1.78 2.32 -5.35 -1.26 -4.84 119.36 105.80 2jpo n ILE 4 Ca 0.04 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.10 2jpo n ILE 4 Cb 0.38 -0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 37.82 2jpo n ILE 4 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jpo s MET 5 N -6.00 4.16 -0.75 6.28 0.23 -1.26 -3.65 119.30 118.31 2jpo s MET 5 Ca 0.38 2.47 -0.06 0.00 -1.03 0.00 0.00 55.69 57.45 2jpo s MET 5 Cb -0.22 -4.07 0.01 0.00 -1.53 0.00 0.00 34.83 29.02 2jpo s MET 5 CO 0.46 -0.91 0.63 1.63 -2.03 0.00 0.00 175.02 174.80 2jpo n LYS 6 N 7.28 -1.59 -4.21 3.16 5.02 -1.26 -5.03 118.16 121.54 2jpo n LYS 6 Ca 0.19 1.04 -0.12 0.00 -2.02 0.00 0.00 58.31 57.40 2jpo n LYS 6 Cb 0.41 -3.05 -0.10 0.00 -0.02 0.00 0.00 35.03 32.27 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 -2.78 1.34 -1.45 4.39 0.01 -1.24 -5.05 114.94 110.16 2jpo s ASN 7 Ca 0.06 -1.05 -0.14 0.00 -0.71 0.00 0.00 52.86 51.02 2jpo s ASN 7 Cb -0.01 0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.74 2jpo s ASN 7 CO 0.86 -0.46 2.33 0.18 -1.51 0.00 0.00 177.10 178.50 2jpo n LEU 8 N -0.14 7.02 0.00 0.60 7.99 -1.26 -3.76 117.00 127.45 2jpo n LEU 8 Ca -0.10 -4.11 0.00 0.00 -0.01 0.00 0.00 56.01 51.79 2jpo n LEU 8 Cb 0.61 -1.62 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 2jpo n LEU 8 CO 0.32 1.19 0.00 -0.24 -1.51 0.00 0.00 177.39 177.14 2jpo n SER 9 N 5.77 0.00 -0.10 -1.43 2.88 -1.26 -4.72 113.62 114.75 2jpo n SER 9 Ca 0.56 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 58.03 2jpo n SER 9 Cb 0.36 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2jpo n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jpo h ASN 10 N 0.00 -0.85 -0.28 -3.46 2.35 -1.93 0.89 115.58 112.31 2jpo h ASN 10 Ca 0.00 0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2jpo h ASN 10 Cb 0.00 0.42 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2jpo h ASN 10 CO 0.00 -0.28 0.04 0.78 -1.65 0.00 0.00 177.43 176.32 2jpo h ASN 11 N -0.20 0.44 -0.57 5.81 2.35 -1.82 -1.32 115.58 120.27 2jpo h ASN 11 Ca 0.18 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 2jpo h ASN 11 Cb 0.48 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 2jpo h ASN 11 CO -0.49 0.59 0.23 0.15 -1.65 0.00 0.00 177.43 176.27 2jpo h PHE 12 N 0.27 0.86 -0.00 1.19 3.04 -1.37 -2.49 116.94 118.45 2jpo h PHE 12 Ca 0.08 -0.06 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 2jpo h PHE 12 Cb 0.34 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 2jpo h PHE 12 CO 0.02 0.69 -0.73 0.78 -2.02 0.00 0.00 178.31 177.06 2jpo h GLY 13 N 0.78 0.01 0.86 2.40 0.00 -0.77 -2.84 103.07 103.53 2jpo h GLY 13 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2jpo h GLY 13 CO -0.02 0.02 -0.12 1.70 0.00 0.00 0.00 176.54 178.13 2jpo h LYS 14 N 0.01 -0.32 -1.00 4.80 3.64 -0.98 -0.90 116.57 121.82 2jpo h LYS 14 Ca -0.01 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.58 2jpo h LYS 14 Cb 1.29 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 33.08 2jpo h LYS 14 CO 0.10 -0.11 0.61 0.00 -2.27 0.00 0.00 179.45 177.78 2jpo h ALA 15 N 0.24 1.72 -0.02 5.00 0.00 -1.45 -0.02 119.26 124.73 2jpo h ALA 15 Ca -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jpo h ALA 15 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jpo h ALA 15 CO 0.06 -0.08 0.01 1.98 0.00 0.00 0.00 179.25 181.21 2jpo h MET 16 N 0.74 0.03 -0.19 0.00 1.85 -1.20 -2.22 114.93 113.96 2jpo h MET 16 Ca 0.57 -0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 59.53 2jpo h MET 16 Cb 0.92 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.93 2jpo h MET 16 CO -0.36 0.13 -0.42 0.22 -0.40 0.00 0.00 176.91 176.07 2jpo h ASP 17 N -0.07 0.46 0.15 1.39 3.58 0.17 0.42 116.42 122.52 2jpo h ASP 17 Ca 0.01 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.25 2jpo h ASP 17 Cb 0.11 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2jpo h ASP 17 CO -0.00 0.83 -0.14 1.56 -2.88 0.00 0.00 179.24 178.61 2jpo h GLN 18 N 0.36 -0.31 -0.16 0.28 4.20 -1.06 -1.87 115.11 116.54 2jpo h GLN 18 Ca 0.03 0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 2jpo h GLN 18 Cb 0.89 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2jpo h GLN 18 CO 0.08 -0.21 -0.43 0.00 -0.67 0.00 0.00 178.83 177.59 2jpo h LYS 20 N 0.32 0.00 0.00 0.00 3.64 0.08 0.25 116.57 120.86 2jpo h LYS 20 Ca 0.02 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2jpo h LYS 20 Cb 0.90 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2jpo h LYS 20 CO 0.07 0.00 -1.09 -3.47 -2.27 0.00 0.00 179.45 172.69 2jpo n ASP 21 N -2.36 1.82 -0.26 4.20 -0.08 -0.73 -1.07 116.55 118.06 2jpo n ASP 21 Ca -0.00 0.30 0.11 0.00 -1.51 0.00 0.00 54.79 53.69 2jpo n ASP 21 Cb 0.12 -0.69 0.37 0.00 2.34 0.00 0.00 41.12 43.25 2jpo n ASP 21 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2jpo h GLU 22 N -0.87 0.70 0.00 -0.67 5.08 -0.71 0.05 114.58 118.15 2jpo h GLU 22 Ca -0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2jpo h GLU 22 Cb 0.97 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2jpo h GLU 22 CO -0.05 0.46 -1.40 1.28 -1.00 0.00 0.00 179.01 178.30 2jpo n LEU 23 N -4.55 0.48 -3.18 1.33 4.77 0.88 -5.01 117.00 111.72 2jpo n LEU 23 Ca 0.17 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 2jpo n LEU 23 Cb 0.43 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2jpo n LEU 23 CO 0.30 -0.07 0.06 -0.24 -1.33 0.00 0.00 177.39 176.12 2jpo n SER 24 N -2.36 -4.17 -4.73 -1.43 2.88 0.00 -4.97 113.62 98.84 2jpo n SER 24 Ca -0.01 -0.61 -0.41 0.00 -1.33 0.00 0.00 58.87 56.50 2jpo n SER 24 Cb 0.53 -4.82 -0.03 0.00 -0.75 0.00 0.00 64.21 59.14 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 -5.62 4.44 0.64 2.46 1.43 -0.23 -4.96 118.68 116.83 2jpo s LEU 25 Ca 0.21 2.15 -0.15 0.00 -1.03 0.00 0.00 54.13 55.31 2jpo s LEU 25 Cb -0.03 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 2jpo s LEU 25 CO 0.68 -0.37 1.09 -2.16 0.23 0.00 0.00 176.35 175.82 2jpo s PRO 26 N 0.08 2.97 0.47 1.29 0.04 -1.26 -4.84 135.00 133.75 2jpo s PRO 26 Ca 0.54 1.31 0.18 0.00 0.04 0.00 0.00 61.00 63.07 2jpo s PRO 26 Cb -0.31 -1.98 1.17 0.00 0.04 0.00 0.00 34.50 33.42 2jpo s PRO 26 CO 0.34 -1.10 1.97 0.22 0.04 0.00 0.00 177.00 178.47 2jpo h ASP 27 N 0.12 0.24 -0.14 6.66 3.58 -1.97 -0.66 116.42 124.25 2jpo h ASP 27 Ca -0.47 0.01 -0.16 0.00 0.42 0.00 0.00 57.03 56.84 2jpo h ASP 27 Cb 1.24 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.25 2jpo h ASP 27 CO 0.55 0.14 -0.52 0.77 -2.88 0.00 0.00 179.24 177.30 2jpo h SER 28 N 0.26 0.70 0.48 2.28 4.64 -1.98 0.81 113.55 120.75 2jpo h SER 28 Ca 0.29 -0.61 -0.25 0.00 -0.47 0.00 0.00 61.79 60.76 2jpo h SER 28 Cb 0.79 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2jpo h SER 28 CO -0.06 1.20 -1.08 0.58 -0.87 0.00 0.00 176.83 176.59 2jpo h VAL 29 N 0.25 1.45 -0.25 0.95 2.07 -1.72 0.38 116.25 119.37 2jpo h VAL 29 Ca -0.02 -2.73 -0.00 0.00 0.82 0.00 0.00 66.70 64.76 2jpo h VAL 29 Cb 1.15 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 2jpo h VAL 29 CO 0.11 0.81 0.14 0.58 0.02 0.00 0.00 177.57 179.23 2jpo h VAL 30 N 0.15 1.11 -0.74 2.57 2.07 -1.15 0.20 116.25 120.45 2jpo h VAL 30 Ca -0.10 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2jpo h VAL 30 Cb 1.75 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 2jpo h VAL 30 CO 0.18 0.11 0.48 0.00 0.02 0.00 0.00 177.57 178.36 2jpo h ALA 31 N 1.03 0.96 0.00 1.67 0.00 -0.79 0.25 119.26 122.37 2jpo h ALA 31 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jpo h ALA 31 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2jpo h ALA 31 CO -0.01 0.29 0.00 -0.44 0.00 0.00 0.00 179.25 179.09 2jpo h ASP 32 N 0.94 0.00 0.11 0.00 3.32 -0.46 -2.35 116.42 117.98 2jpo h ASP 32 Ca 0.29 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.10 2jpo h ASP 32 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2jpo h ASP 32 CO -0.09 0.00 -1.20 0.25 -1.72 0.00 0.00 179.24 176.47 2jpo h LEU 33 N 0.00 0.37 -1.72 1.55 6.46 0.14 -2.62 115.31 119.49 2jpo h LEU 33 Ca 0.00 -0.87 -0.03 0.00 -0.12 0.00 0.00 57.88 56.86 2jpo h LEU 33 Cb 0.33 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2jpo h LEU 33 CO 0.00 1.53 -0.14 1.88 -0.62 0.00 0.00 178.44 181.09 2jpo h TYR 34 N -0.38 0.00 0.00 1.25 -1.99 -1.23 -1.46 116.97 113.16 2jpo h TYR 34 Ca -0.25 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.44 2jpo h TYR 34 Cb 1.68 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.41 2jpo h TYR 34 CO 0.15 0.14 -0.15 -0.91 -0.00 0.00 0.00 178.16 177.39 2jpo h ASN 35 N 0.00 0.00 0.46 3.88 2.35 -1.39 -3.30 115.58 117.58 2jpo h ASN 35 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2jpo h ASN 35 Cb 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2jpo h ASN 35 CO 0.02 0.15 -0.41 0.15 -1.65 0.00 0.00 177.43 175.69 2jpo h PHE 36 N 0.00 -1.13 0.00 1.19 3.57 -0.87 -2.58 116.94 117.12 2jpo h PHE 36 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jpo h PHE 36 Cb 0.43 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2jpo h PHE 36 CO 0.00 -0.56 0.00 0.91 -2.23 0.00 0.00 178.31 176.43 2jpo n TRP 37 N -4.92 0.00 0.16 0.41 7.02 -1.24 -4.14 117.44 114.74 2jpo n TRP 37 Ca -0.10 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.30 2jpo n TRP 37 Cb 0.38 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.24 2jpo n TRP 37 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 2jpo h LYS 38 N 0.00 -0.47 0.00 -0.99 1.63 -1.54 -3.48 116.57 111.72 2jpo h LYS 38 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2jpo h LYS 38 Cb 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2jpo h LYS 38 CO 0.00 -0.31 0.00 -3.47 -3.45 0.00 0.00 179.45 172.22 2jpo n ASP 39 N -5.10 -3.10 -3.34 4.20 2.03 -1.26 -5.09 116.55 104.89 2jpo n ASP 39 Ca -0.06 0.77 -0.09 0.00 0.52 0.00 0.00 54.79 55.93 2jpo n ASP 39 Cb 0.19 2.95 -0.07 0.00 -0.72 0.00 0.00 41.12 43.47 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jpo s ASP 40 N -2.75 0.25 0.02 1.67 2.15 -1.26 -5.15 116.67 111.60 2jpo s ASP 40 Ca 0.00 0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.08 2jpo s ASP 40 Cb 0.00 1.14 -0.02 0.00 -0.30 0.00 0.00 42.92 43.74 2jpo s ASP 40 CO 0.00 -0.31 -0.01 -0.47 -0.17 0.00 0.00 175.17 174.21 2jpo s TYR 41 N 2.55 0.27 -0.15 -5.34 5.04 -1.26 -5.05 117.35 113.42 2jpo s TYR 41 Ca 0.12 -0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 54.18 2jpo s TYR 41 Cb -0.15 -0.20 0.04 0.00 0.35 0.00 0.00 41.96 42.00 2jpo s TYR 41 CO -0.19 -0.23 -0.03 0.08 -1.34 0.00 0.00 175.55 173.84 2jpo s VAL 42 N -1.81 0.85 0.79 3.14 1.01 -1.26 -4.91 120.40 118.21 2jpo s VAL 42 Ca -0.13 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 2jpo s VAL 42 Cb -0.07 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.31 2jpo s VAL 42 CO -0.02 0.12 1.09 0.00 0.00 0.00 0.00 175.10 176.29 2jpo s MET 43 N 1.75 2.12 0.00 2.72 0.23 -1.26 -5.00 119.30 119.86 2jpo s MET 43 Ca 0.02 1.03 0.00 0.00 -1.03 0.00 0.00 55.69 55.70 2jpo s MET 43 Cb -0.15 -1.89 0.00 0.00 -1.53 0.00 0.00 34.83 31.26 2jpo s MET 43 CO -0.07 -1.70 0.00 0.25 -2.03 0.00 0.00 175.02 171.47 2jpo n THR 44 N -3.54 0.00 -2.84 3.16 -2.24 -1.26 -5.06 114.28 102.50 2jpo n THR 44 Ca 0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 2jpo n THR 44 Cb 0.54 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 2jpo n THR 44 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jpo s ASP 45 N -2.16 6.98 0.47 3.42 1.01 -1.26 -4.95 116.67 120.19 2jpo s ASP 45 Ca 0.00 1.21 0.20 0.00 0.71 0.00 0.00 52.55 54.67 2jpo s ASP 45 Cb 0.00 -2.47 1.21 0.00 1.01 0.00 0.00 42.92 42.67 2jpo s ASP 45 CO 0.00 -0.47 1.95 0.08 0.21 0.00 0.00 175.17 176.94 2jpo h ARG 46 N 7.40 0.22 0.00 8.23 0.11 -1.97 -2.30 114.38 126.07 2jpo h ARG 46 Ca -0.27 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 59.77 2jpo h ARG 46 Cb 1.11 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 2jpo h ARG 46 CO 0.87 0.15 -0.14 -0.07 0.10 0.00 0.00 179.97 180.87 2jpo h LEU 47 N 0.23 0.00 -0.84 0.08 -0.00 -1.92 -2.31 115.31 110.54 2jpo h LEU 47 Ca 0.33 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.24 2jpo h LEU 47 Cb 0.96 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.57 2jpo h LEU 47 CO -0.07 0.14 0.54 0.00 -0.00 0.00 0.00 178.44 179.05 2jpo h ALA 48 N 1.86 1.11 -0.99 1.53 0.00 -1.73 0.30 119.26 121.35 2jpo h ALA 48 Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jpo h ALA 48 Cb 0.34 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2jpo h ALA 48 CO 0.02 0.36 0.64 0.78 0.00 0.00 0.00 179.25 181.05 2jpo h GLY 49 N 1.04 1.48 0.93 0.00 0.00 -1.53 -0.32 103.07 104.67 2jpo h GLY 49 Ca 0.34 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2jpo h GLY 49 CO -0.12 0.35 -0.09 0.00 0.00 0.00 0.00 176.54 176.67 2jpo h ALA 51 N 0.47 1.02 0.35 0.00 0.00 -0.08 -0.35 119.26 120.66 2jpo h ALA 51 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jpo h ALA 51 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jpo h ALA 51 CO 0.04 0.17 -0.17 0.82 0.00 0.00 0.00 179.25 180.12 2jpo h ILE 52 N 0.84 0.67 0.00 0.00 2.04 -1.03 -1.67 117.51 118.36 2jpo h ILE 52 Ca 0.33 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 2jpo h ILE 52 Cb 0.15 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2jpo h ILE 52 CO -0.16 0.03 -0.07 -0.55 0.00 0.00 0.00 178.15 177.39 2jpo h ASN 53 N -0.55 0.00 -0.08 1.72 7.08 -0.51 -1.67 115.58 121.57 2jpo h ASN 53 Ca -0.05 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.00 2jpo h ASN 53 Cb 0.41 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.66 2jpo h ASN 53 CO 0.08 0.07 -0.63 0.00 -2.08 0.00 0.00 177.43 174.87 2jpo h LEU 55 N 0.17 0.16 -1.54 0.00 4.07 -0.34 -0.92 115.31 116.91 2jpo h LEU 55 Ca -0.06 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2jpo h LEU 55 Cb 1.29 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2jpo h LEU 55 CO 0.13 0.09 0.00 0.00 -1.08 0.00 0.00 178.44 177.58 2jpo h ALA 56 N 1.72 1.00 -0.27 1.53 0.00 -1.54 -0.39 119.26 121.31 2jpo h ALA 56 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jpo h ALA 56 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jpo h ALA 56 CO -0.04 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.84 2jpo n THR 57 N -2.98 0.34 -2.14 0.00 5.66 -0.35 -4.36 114.28 110.44 2jpo n THR 57 Ca 0.00 -0.65 -0.09 0.00 -3.05 0.00 0.00 64.05 60.26 2jpo n THR 57 Cb 0.27 1.10 0.07 0.00 -1.55 0.00 0.00 70.33 70.22 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 1.39 2.34 0.24 1.09 5.02 -0.16 -4.79 118.16 123.30 2jpo n LYS 58 Ca 0.18 -3.59 0.09 0.00 -2.02 0.00 0.00 58.31 52.97 2jpo n LYS 58 Cb 0.59 -1.73 0.62 0.00 -0.02 0.00 0.00 35.03 34.50 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 1.86 0.00 -0.32 -0.35 3.38 -1.75 -0.13 115.31 118.00 2jpo h LEU 59 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jpo h LEU 59 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2jpo h LEU 59 CO 0.38 0.15 -0.02 -0.90 0.09 0.00 0.00 178.44 178.15 2jpo n ASP 60 N -3.98 0.52 -0.06 -0.43 5.68 -1.26 -1.75 116.55 115.26 2jpo n ASP 60 Ca -0.02 -1.05 -0.13 0.00 -0.50 0.00 0.00 54.79 53.09 2jpo n ASP 60 Cb 0.24 -0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.15 2jpo n ASP 60 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 2jpo n VAL 61 N -0.66 0.71 0.02 2.12 3.14 -0.69 -4.16 118.33 118.80 2jpo n VAL 61 Ca 0.21 -0.20 -0.06 0.00 -2.96 0.00 0.00 64.34 61.33 2jpo n VAL 61 Cb 0.21 -1.53 0.13 0.00 -1.06 0.00 0.00 33.84 31.59 2jpo n VAL 61 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 2jpo h VAL 62 N -0.38 1.31 -2.30 1.55 3.04 -1.10 -3.36 116.25 115.01 2jpo h VAL 62 Ca -0.32 -1.59 -0.58 0.00 -1.01 0.00 0.00 66.70 63.20 2jpo h VAL 62 Cb 1.31 1.61 -0.39 0.00 -2.01 0.00 0.00 31.29 31.81 2jpo h VAL 62 CO -0.17 0.49 -0.94 -0.67 -1.01 0.00 0.00 177.57 175.27 2jpo n ASP 63 N -4.02 0.59 0.12 3.17 2.03 -0.72 -3.57 116.55 114.16 2jpo n ASP 63 Ca -0.02 -2.69 0.11 0.00 0.52 0.00 0.00 54.79 52.71 2jpo n ASP 63 Cb 0.52 -0.62 0.47 0.00 -0.72 0.00 0.00 41.12 40.77 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 2.02 0.17 0.29 -0.67 -0.04 -1.26 -1.33 135.00 134.18 2jpo n PRO 64 Ca 0.26 0.42 0.17 0.00 -0.04 0.00 0.00 63.50 64.31 2jpo n PRO 64 Cb 0.48 -1.84 0.88 0.00 -0.04 0.00 0.00 33.50 32.98 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 0.00 -0.31 3.54 3.32 -1.92 -3.47 116.42 117.58 2jpo h ASP 65 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jpo h ASP 65 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jpo h ASP 65 CO 0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 2jpo n GLY 66 N -0.63 1.07 0.12 2.75 0.00 -0.44 -5.00 105.19 103.06 2jpo n GLY 66 Ca -0.02 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 0.69 1.91 -4.67 1.61 3.02 -1.26 -4.92 115.26 111.63 2jpo n ASN 67 Ca 0.00 0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 54.52 2jpo n ASN 67 Cb 0.21 -0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 38.48 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 -7.72 4.34 0.24 3.41 2.96 -1.26 -4.13 118.68 116.53 2jpo s LEU 68 Ca -0.33 2.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.94 2jpo s LEU 68 Cb 0.10 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 2jpo s LEU 68 CO 0.50 -0.89 0.15 -1.00 -1.32 0.00 0.00 176.35 173.79 2jpo s HIS 69 N 3.32 1.35 0.31 5.38 3.76 -0.70 -4.72 115.29 123.99 2jpo s HIS 69 Ca 0.73 -1.39 -0.29 0.00 -0.15 0.00 0.00 55.06 53.96 2jpo s HIS 69 Cb -0.36 -0.67 -0.11 0.00 1.11 0.00 0.00 32.58 32.55 2jpo s HIS 69 CO 0.31 -0.61 1.48 -1.01 -0.85 0.00 0.00 174.74 174.06 2jpo s HIS 70 N -3.93 2.81 0.00 1.40 0.09 -1.26 -0.93 115.29 113.46 2jpo s HIS 70 Ca 0.39 1.06 0.00 0.00 -0.00 0.00 0.00 55.06 56.51 2jpo s HIS 70 Cb 0.06 -3.93 0.00 0.00 -0.00 0.00 0.00 32.58 28.71 2jpo s HIS 70 CO 0.15 -2.90 0.00 0.41 -0.00 0.00 0.00 174.74 172.40 2jpo n GLY 71 N 1.42 0.16 2.23 -2.22 0.00 0.56 -4.87 105.19 102.47 2jpo n GLY 71 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.40 0.44 0.00 1.61 5.15 -0.11 -4.78 115.26 117.17 2jpo n ASN 72 Ca 0.00 -2.99 0.10 0.00 -0.60 0.00 0.00 54.58 51.10 2jpo n ASN 72 Cb 0.20 -0.43 0.55 0.00 -0.53 0.00 0.00 39.78 39.57 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 0.55 2.14 0.45 5.20 0.00 -1.25 -1.73 120.51 125.87 2jpo n ALA 73 Ca 0.23 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.39 2jpo n ALA 73 Cb 0.63 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 2jpo n ALA 73 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jpo h LYS 74 N 0.00 -1.10 -0.94 0.00 1.57 -1.90 0.31 116.57 114.51 2jpo h LYS 74 Ca 0.00 0.08 0.23 0.00 -1.87 0.00 0.00 60.65 59.08 2jpo h LYS 74 Cb 0.15 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 2jpo h LYS 74 CO 0.00 -0.73 0.62 -0.44 -0.57 0.00 0.00 179.45 178.33 2jpo h ASP 75 N -1.19 0.37 -0.02 0.86 5.19 -1.78 -0.54 116.42 119.31 2jpo h ASP 75 Ca -0.12 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.22 2jpo h ASP 75 Cb 0.88 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.37 2jpo h ASP 75 CO 0.19 0.13 -0.43 0.15 -3.12 0.00 0.00 179.24 176.16 2jpo h PHE 76 N 0.36 0.48 -0.65 4.55 3.57 -1.55 -3.16 116.94 120.53 2jpo h PHE 76 Ca 0.50 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2jpo h PHE 76 Cb 1.32 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 2jpo h PHE 76 CO -0.00 1.04 0.42 0.00 -2.23 0.00 0.00 178.31 177.53 2jpo h ALA 77 N 0.33 0.82 0.00 2.41 0.00 0.65 -0.14 119.26 123.34 2jpo h ALA 77 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jpo h ALA 77 Cb 1.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jpo h ALA 77 CO 0.09 0.27 0.00 -1.33 0.00 0.00 0.00 179.25 178.28 2jpo n MET 78 N -4.62 0.04 -0.56 0.00 2.81 -0.31 -1.57 117.12 112.91 2jpo n MET 78 Ca 0.05 0.48 0.07 0.00 -1.81 0.00 0.00 57.70 56.49 2jpo n MET 78 Cb 0.03 -1.62 0.17 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.71 1.34 0.00 0.03 4.76 -0.10 -4.74 118.16 117.73 2jpo n LYS 79 Ca 0.00 -2.97 0.00 0.00 -2.87 0.00 0.00 58.31 52.47 2jpo n LYS 79 Cb 0.05 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 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 -1.01 0.00 0.00 2.13 8.25 -0.61 -5.00 115.22 118.98 2jpo n HIS 80 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2jpo n HIS 80 Cb 0.72 0.33 0.00 0.00 1.12 0.00 0.00 29.99 32.16 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 1.75 0.00 3.41 -1.41 0.00 -0.81 -5.10 105.19 103.03 2jpo n GLY 81 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.48 4.61 0.00 -0.98 -4.95 121.76 120.34 2jpo s ALA 82 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2jpo s ALA 82 Cb 0.00 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 2jpo s ALA 82 CO 0.00 -0.71 0.00 -0.25 0.00 0.00 0.00 175.76 174.80 2jpo n ASP 83 N -0.27 3.27 -0.21 0.00 8.00 -1.26 -3.97 116.55 122.12 2jpo n ASP 83 Ca -0.10 -3.12 0.12 0.00 0.71 0.00 0.00 54.79 52.40 2jpo n ASP 83 Cb 0.63 0.36 0.42 0.00 -0.02 0.00 0.00 41.12 42.51 2jpo n ASP 83 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jpo h GLU 84 N 0.00 0.57 0.54 -1.24 3.07 -1.97 0.08 114.58 115.63 2jpo h GLU 84 Ca -0.40 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 2jpo h GLU 84 Cb 1.21 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 2jpo h GLU 84 CO 0.66 0.38 -0.36 1.15 -1.40 0.00 0.00 179.01 179.44 2jpo h THR 85 N 0.59 0.00 -0.25 1.13 2.02 -1.98 0.28 112.91 114.70 2jpo h THR 85 Ca 0.39 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.56 2jpo h THR 85 Cb 0.67 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2jpo h THR 85 CO -0.15 0.00 0.14 0.24 0.37 0.00 0.00 175.52 176.12 2jpo h MET 86 N -0.85 0.34 -0.51 6.66 2.86 -1.86 0.27 114.93 121.84 2jpo h MET 86 Ca -0.07 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2jpo h MET 86 Cb 0.69 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.23 2jpo h MET 86 CO 0.05 0.30 0.19 0.00 1.06 0.00 0.00 176.91 178.51 2jpo h ALA 87 N 1.02 0.63 -0.41 6.32 0.00 -0.94 -0.28 119.26 125.60 2jpo h ALA 87 Ca 0.09 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2jpo h ALA 87 Cb 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2jpo h ALA 87 CO -0.01 -0.20 -0.34 0.37 0.00 0.00 0.00 179.25 179.06 2jpo h GLN 88 N 0.37 0.96 -0.05 0.00 5.75 0.00 -1.34 115.11 120.81 2jpo h GLN 88 Ca 0.25 -0.48 0.04 0.00 -0.15 0.00 0.00 58.65 58.30 2jpo h GLN 88 Cb 0.26 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 2jpo h GLN 88 CO -0.25 1.15 -0.25 1.96 -2.65 0.00 0.00 178.83 178.79 2jpo h GLN 89 N 0.80 -0.35 0.13 1.69 4.20 0.36 0.03 115.11 121.97 2jpo h GLN 89 Ca 0.07 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2jpo h GLN 89 Cb 0.94 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2jpo h GLN 89 CO 0.09 -0.23 -0.20 -0.07 -0.67 0.00 0.00 178.83 177.75 2jpo h LEU 90 N -0.36 -0.56 -1.25 1.46 4.07 -1.04 -0.97 115.31 116.66 2jpo h LEU 90 Ca 0.08 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.19 2jpo h LEU 90 Cb 0.47 0.21 -0.06 0.00 1.08 0.00 0.00 40.66 42.35 2jpo h LEU 90 CO -0.25 -0.29 0.55 1.62 -1.08 0.00 0.00 178.44 178.99 2jpo h VAL 91 N -0.39 0.98 0.00 1.22 3.04 -1.02 -0.58 116.25 119.49 2jpo h VAL 91 Ca 0.02 -0.29 -0.09 0.00 -1.01 0.00 0.00 66.70 65.33 2jpo h VAL 91 Cb 0.40 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 2jpo h VAL 91 CO -0.10 0.15 -0.45 -0.78 -1.01 0.00 0.00 177.57 175.38 2jpo h ASP 92 N 0.84 0.00 -0.07 3.17 1.82 -0.36 -0.53 116.42 121.29 2jpo h ASP 92 Ca 0.39 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 57.00 2jpo h ASP 92 Cb 0.38 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 2jpo h ASP 92 CO -0.16 0.45 -0.08 0.40 -1.61 0.00 0.00 179.24 178.25 2jpo h ILE 93 N 0.00 1.38 -0.35 2.25 2.04 0.20 0.33 117.51 123.36 2jpo h ILE 93 Ca -0.00 -1.26 -0.11 0.00 1.00 0.00 0.00 64.86 64.48 2jpo h ILE 93 Cb 0.85 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 2jpo h ILE 93 CO 0.06 0.35 -0.23 -0.29 0.00 0.00 0.00 178.15 178.04 2jpo h ILE 94 N -0.27 1.29 0.00 -0.67 6.09 -1.23 0.49 117.51 123.21 2jpo h ILE 94 Ca 0.01 -1.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.11 2jpo h ILE 94 Cb 0.60 1.41 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 2jpo h ILE 94 CO 0.02 0.45 -0.09 0.45 -3.07 0.00 0.00 178.15 175.91 2jpo h HIS 95 N 0.55 0.00 0.73 2.19 3.86 -1.15 0.18 115.15 121.52 2jpo h HIS 95 Ca 0.07 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2jpo h HIS 95 Cb 0.79 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.26 2jpo h HIS 95 CO 0.06 0.09 -0.35 0.78 0.86 0.00 0.00 177.93 179.37 2jpo h GLY 96 N 0.28 -1.02 1.20 2.45 0.00 -0.25 -3.29 103.07 102.44 2jpo h GLY 96 Ca -0.00 0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 2jpo h GLY 96 CO 0.01 -0.37 0.25 0.00 0.00 0.00 0.00 176.54 176.43 2jpo h GLU 98 N 0.99 0.33 0.23 0.00 4.11 -0.77 -1.26 114.58 118.21 2jpo h GLU 98 Ca 0.23 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 2jpo h GLU 98 Cb 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2jpo h GLU 98 CO -0.02 0.52 -0.11 0.87 0.07 0.00 0.00 179.01 180.34 2jpo h LYS 99 N 0.30 -0.30 0.00 1.06 6.56 -1.59 -3.33 116.57 119.27 2jpo h LYS 99 Ca 0.05 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2jpo h LYS 99 Cb 0.52 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 2jpo h LYS 99 CO 0.03 -0.02 0.00 0.43 -2.06 0.00 0.00 179.45 177.84 2jpo n SER 100 N -4.98 0.00 -4.64 0.86 7.64 -0.89 -4.85 113.62 106.75 2jpo n SER 100 Ca -0.06 -0.37 -0.30 0.00 1.01 0.00 0.00 58.87 59.15 2jpo n SER 100 Cb 0.21 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.59 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 -2.00 1.01 0.84 -0.43 0.00 -0.50 -4.99 121.76 115.69 2jpo s ALA 101 Ca 0.03 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 2jpo s ALA 101 Cb 0.01 -3.29 0.09 0.00 0.00 0.00 0.00 23.12 19.93 2jpo s ALA 101 CO 0.02 -2.86 1.10 -1.25 0.00 0.00 0.00 175.76 172.78 2jpo s PRO 102 N -4.71 1.74 -0.86 0.00 0.04 -1.26 -4.91 135.00 125.04 2jpo s PRO 102 Ca 0.66 0.59 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 2jpo s PRO 102 Cb -0.21 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2jpo s PRO 102 CO 0.59 -1.85 1.87 -1.25 0.04 0.00 0.00 177.00 176.41 2jpo s PRO 103 N -5.15 2.68 -0.30 0.56 0.04 -1.26 -4.78 135.00 126.79 2jpo s PRO 103 Ca 0.62 -0.21 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 2jpo s PRO 103 Cb -0.15 -4.96 0.18 0.00 0.04 0.00 0.00 34.50 29.61 2jpo s PRO 103 CO 0.54 -3.13 0.88 1.21 0.04 0.00 0.00 177.00 176.54 2jpo s ASN 104 N 7.67 -0.79 -0.24 6.66 2.47 -1.26 -5.14 114.94 124.30 2jpo s ASN 104 Ca 0.67 0.64 -0.04 0.00 0.42 0.00 0.00 52.86 54.55 2jpo s ASN 104 Cb -0.07 1.72 0.00 0.00 -1.45 0.00 0.00 41.25 41.46 2jpo s ASN 104 CO 0.02 -0.15 -0.02 1.51 -3.72 0.00 0.00 177.10 174.74 2jpo s ASP 105 N 2.81 4.45 0.23 -4.21 1.47 -1.26 -4.56 116.67 115.61 2jpo s ASP 105 Ca 0.05 -0.57 -0.21 0.00 1.18 0.00 0.00 52.55 53.00 2jpo s ASP 105 Cb -0.11 -1.75 0.06 0.00 -0.34 0.00 0.00 42.92 40.79 2jpo s ASP 105 CO -0.16 -0.08 0.94 -0.62 0.68 0.00 0.00 175.17 175.93 2jpo s ASP 106 N 1.44 -0.05 -0.04 2.11 -1.08 -1.26 -4.91 116.67 112.88 2jpo s ASP 106 Ca 0.04 -0.73 0.15 0.00 -0.52 0.00 0.00 52.55 51.49 2jpo s ASP 106 Cb -0.15 0.60 -0.22 0.00 -1.46 0.00 0.00 42.92 41.68 2jpo s ASP 106 CO -0.03 -1.17 0.29 2.29 0.52 0.00 0.00 175.17 177.07 2jpo n LYS 107 N -0.59 0.63 -0.00 4.34 2.85 -1.26 -3.68 118.16 120.45 2jpo n LYS 107 Ca -0.05 -0.12 0.09 0.00 -1.05 0.00 0.00 58.31 57.18 2jpo n LYS 107 Cb 0.60 -1.35 -0.11 0.00 -0.65 0.00 0.00 35.03 33.51 2jpo n LYS 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jpo n MET 109 N -1.52 0.22 -0.34 0.00 2.81 -1.26 -3.90 117.12 113.13 2jpo n MET 109 Ca 0.03 0.09 0.14 0.00 -1.81 0.00 0.00 57.70 56.15 2jpo n MET 109 Cb 0.32 -0.83 0.33 0.00 -0.71 0.00 0.00 33.22 32.33 2jpo n MET 109 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2jpo h LYS 110 N -0.42 0.67 -0.65 0.03 3.64 -1.80 0.47 116.57 118.51 2jpo h LYS 110 Ca 0.00 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2jpo h LYS 110 Cb 0.42 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2jpo h LYS 110 CO 0.00 0.44 0.43 1.15 -2.27 0.00 0.00 179.45 179.20 2jpo h THR 111 N 0.69 1.12 -0.43 1.00 2.02 -1.75 0.55 112.91 116.10 2jpo h THR 111 Ca 0.59 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 2jpo h THR 111 Cb 0.98 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2jpo h THR 111 CO -0.42 0.15 0.20 0.40 0.37 0.00 0.00 175.52 176.22 2jpo h ILE 112 N 0.82 1.18 0.42 3.11 2.04 -1.09 -0.52 117.51 123.47 2jpo h ILE 112 Ca 0.25 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2jpo h ILE 112 Cb 0.00 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2jpo h ILE 112 CO -0.06 0.20 -0.20 0.44 0.00 0.00 0.00 178.15 178.53 2jpo h ASP 113 N 0.56 -0.47 -0.37 1.72 3.32 -0.98 0.79 116.42 120.99 2jpo h ASP 113 Ca 0.15 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2jpo h ASP 113 Cb 0.14 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2jpo h ASP 113 CO -0.02 -0.17 0.17 0.58 -1.72 0.00 0.00 179.24 178.08 2jpo h VAL 114 N -0.80 1.16 0.18 -1.35 2.07 -0.99 0.14 116.25 116.66 2jpo h VAL 114 Ca -0.06 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2jpo h VAL 114 Cb 0.54 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2jpo h VAL 114 CO 0.09 0.19 -0.09 0.00 0.02 0.00 0.00 177.57 177.79 2jpo h ALA 115 N 1.60 -0.24 0.00 1.67 0.00 -0.92 -1.74 119.26 119.63 2jpo h ALA 115 Ca 0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2jpo h ALA 115 Cb 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jpo h ALA 115 CO -0.02 -0.41 -0.34 0.00 0.00 0.00 0.00 179.25 178.48 2jpo h MET 116 N -0.68 0.00 -0.33 0.00 -0.00 -0.66 -2.33 114.93 110.92 2jpo h MET 116 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.69 2jpo h MET 116 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.06 2jpo h MET 116 CO 0.04 0.34 0.19 0.00 -0.00 0.00 0.00 176.91 177.48 2jpo h PHE 118 N 0.39 -1.07 0.00 0.00 3.04 -0.74 0.15 116.94 118.71 2jpo h PHE 118 Ca 0.13 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 2jpo h PHE 118 Cb 0.01 0.52 -0.00 0.00 2.56 0.00 0.00 35.95 39.03 2jpo h PHE 118 CO -0.08 -0.42 -0.09 -0.22 -2.02 0.00 0.00 178.31 175.48 2jpo h LYS 119 N -0.34 0.00 -0.30 1.11 3.64 -1.46 0.24 116.57 119.46 2jpo h LYS 119 Ca 0.13 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 2jpo h LYS 119 Cb 0.57 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2jpo h LYS 119 CO -0.50 0.09 -0.32 0.87 -2.27 0.00 0.00 179.45 177.32 2jpo h LYS 120 N 0.00 0.75 0.00 1.90 6.56 -0.45 -3.22 116.57 122.11 2jpo h LYS 120 Ca -0.00 -0.40 -0.06 0.00 -1.06 0.00 0.00 60.65 59.13 2jpo h LYS 120 Cb 0.17 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 2jpo h LYS 120 CO 0.01 1.03 -0.28 0.93 -2.06 0.00 0.00 179.45 179.07 2jpo h GLU 121 N 0.51 0.00 -0.61 3.15 5.08 0.95 -2.61 114.58 121.05 2jpo h GLU 121 Ca 0.05 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.58 2jpo h GLU 121 Cb 0.89 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2jpo h GLU 121 CO 0.08 0.28 0.54 0.82 -1.00 0.00 0.00 179.01 179.73 2jpo h ILE 122 N 0.00 0.44 -1.00 3.13 2.04 -0.62 0.30 117.51 121.79 2jpo h ILE 122 Ca -0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 2jpo h ILE 122 Cb 0.84 0.59 -0.11 0.00 -0.74 0.00 0.00 36.82 37.40 2jpo h ILE 122 CO 0.04 0.00 0.61 0.45 0.00 0.00 0.00 178.15 179.24 2jpo h HIS 123 N 0.00 1.04 0.00 1.37 3.86 -1.60 -0.57 115.15 119.25 2jpo h HIS 123 Ca 0.29 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 2jpo h HIS 123 Cb 1.37 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 29.53 2jpo h HIS 123 CO 0.00 0.17 -0.04 1.57 0.86 0.00 0.00 177.93 180.49 2jpo h LYS 124 N 0.69 0.00 -0.20 2.45 2.10 -1.16 -2.41 116.57 118.03 2jpo h LYS 124 Ca 0.61 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 59.07 2jpo h LYS 124 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2jpo h LYS 124 CO -0.42 0.04 -0.64 -0.07 -2.00 0.00 0.00 179.45 176.36 2jpo h LEU 125 N 0.00 0.81 0.00 7.07 3.38 -1.24 -3.47 115.31 121.86 2jpo h LEU 125 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2jpo h LEU 125 Cb 0.63 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2jpo h LEU 125 CO 0.00 1.24 0.00 0.59 0.09 0.00 0.00 178.44 180.37 2jpo n ASN 126 N -3.95 0.00 -4.77 -0.43 5.03 -0.91 -4.95 115.26 105.28 2jpo n ASN 126 Ca -0.05 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.18 2jpo n ASN 126 Cb 0.67 -0.51 0.10 0.00 -1.02 0.00 0.00 39.78 39.02 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 -1.38 1.24 -0.07 3.10 1.48 -1.26 -5.07 118.94 116.98 2jpo s TRP 127 Ca 0.00 -0.52 -0.01 0.00 -1.06 0.00 0.00 56.10 54.51 2jpo s TRP 127 Cb 0.00 -2.70 0.03 0.00 -1.16 0.00 0.00 33.47 29.63 2jpo s TRP 127 CO 0.00 -1.65 -0.00 0.54 -4.06 0.00 0.00 176.95 171.78 2jpo s VAL 128 N -3.02 0.39 0.52 -0.66 0.11 -1.26 -4.90 120.40 111.57 2jpo s VAL 128 Ca 0.66 0.11 -0.19 0.00 -2.93 0.00 0.00 61.98 59.63 2jpo s VAL 128 Cb -0.04 -0.54 -0.07 0.00 -1.53 0.00 0.00 36.38 34.20 2jpo s VAL 128 CO 0.43 0.26 1.06 -2.16 -3.33 0.00 0.00 175.10 171.36 2jpo s PRO 129 N 1.91 3.64 0.55 1.54 0.05 -1.26 -5.03 135.00 136.39 2jpo s PRO 129 Ca 0.04 1.37 -0.18 0.00 0.05 0.00 0.00 61.00 62.28 2jpo s PRO 129 Cb -0.12 -2.07 -0.11 0.00 0.05 0.00 0.00 34.50 32.24 2jpo s PRO 129 CO -0.05 -0.57 0.23 0.09 0.05 0.00 0.00 177.00 176.75 2jpo n ASN 130 N -1.22 -2.22 0.20 6.66 3.02 -1.26 -4.72 115.26 115.71 2jpo n ASN 130 Ca 0.10 0.69 0.17 0.00 -0.03 0.00 0.00 54.58 55.51 2jpo n ASN 130 Cb 0.52 -1.03 0.82 0.00 -0.61 0.00 0.00 39.78 39.48 2jpo n ASN 130 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jpo h MET 131 N 0.11 0.00 0.36 3.52 -0.00 -1.96 -1.33 114.93 115.62 2jpo h MET 131 Ca -0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.25 2jpo h MET 131 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.02 2jpo h MET 131 CO 0.44 0.00 -0.17 -0.44 -0.00 0.00 0.00 176.91 176.74 2jpo h ASP 132 N 0.00 -0.41 -0.46 -0.10 3.32 -1.96 -2.95 116.42 113.86 2jpo h ASP 132 Ca 0.10 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.08 2jpo h ASP 132 Cb 0.55 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.13 2jpo h ASP 132 CO -0.00 -0.01 0.03 -0.07 -1.72 0.00 0.00 179.24 177.47 2jpo h LEU 133 N -0.88 -0.14 -0.31 1.55 3.38 -1.61 0.21 115.31 117.51 2jpo h LEU 133 Ca -0.05 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2jpo h LEU 133 Cb 0.53 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2jpo h LEU 133 CO 0.08 -0.04 0.11 0.58 0.09 0.00 0.00 178.44 179.27 2jpo h VAL 134 N 0.14 0.92 0.01 1.22 2.07 -1.44 -2.62 116.25 116.56 2jpo h VAL 134 Ca 0.23 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.49 2jpo h VAL 134 Cb 0.33 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2jpo h VAL 134 CO -0.36 0.05 -0.69 0.40 0.02 0.00 0.00 177.57 176.99 2jpo h ILE 135 N 0.25 1.41 -1.04 4.57 2.04 -1.25 -3.24 117.51 120.27 2jpo h ILE 135 Ca 0.14 -2.15 0.26 0.00 1.00 0.00 0.00 64.86 64.12 2jpo h ILE 135 Cb 0.11 2.63 -0.10 0.00 -0.74 0.00 0.00 36.82 38.71 2jpo h ILE 135 CO -0.14 0.63 0.65 1.23 0.00 0.00 0.00 178.15 180.52 2jpo h GLY 136 N -0.06 1.40 0.50 5.37 0.00 -0.53 -1.63 103.07 108.12 2jpo h GLY 136 Ca -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2jpo h GLY 136 CO 0.13 -0.17 -0.08 -2.09 0.00 0.00 0.00 176.54 174.34 2jpo h GLU 137 N 0.44 -0.21 -0.42 4.80 4.57 -1.49 -2.02 114.58 120.24 2jpo h GLU 137 Ca 0.61 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.89 2jpo h GLU 137 Cb 1.45 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 30.01 2jpo h GLU 137 CO -0.34 0.21 -0.02 -0.24 -1.18 0.00 0.00 179.01 177.44 2jpo h VAL 138 N -0.72 0.66 -0.46 0.32 3.04 -1.52 -1.30 116.25 116.27 2jpo h VAL 138 Ca -0.02 -0.03 0.13 0.00 -1.01 0.00 0.00 66.70 65.76 2jpo h VAL 138 Cb 0.51 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 30.33 2jpo h VAL 138 CO 0.04 0.02 0.33 -0.07 -1.01 0.00 0.00 177.57 176.87 2jpo h LEU 139 N 0.09 0.04 0.17 3.16 4.07 -1.33 0.10 115.31 121.62 2jpo h LEU 139 Ca 0.21 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.91 2jpo h LEU 139 Cb 0.31 -0.01 0.03 0.00 1.08 0.00 0.00 40.66 42.07 2jpo h LEU 139 CO -0.36 0.02 -1.12 0.00 -1.08 0.00 0.00 178.44 175.90 2jpo h ALA 140 N 1.77 -0.10 0.11 1.53 0.00 -0.52 -3.40 119.26 118.66 2jpo h ALA 140 Ca 0.22 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2jpo h ALA 140 Cb 0.81 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jpo h ALA 140 CO -0.01 0.54 -0.05 1.49 0.00 0.00 0.00 179.25 181.21 2jpo h GLU 141 N -0.06 -0.14 0.00 0.00 4.22 -0.63 0.16 114.58 118.13 2jpo h GLU 141 Ca -0.19 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.26 2jpo h GLU 141 Cb 1.86 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2jpo h GLU 141 CO 0.21 0.35 0.00 0.28 -2.18 0.00 0.00 179.01 177.67