#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 2.36 0.23 1.43 0.04 -1.26 -4.40 135.00 133.40 2jpo s PRO 2 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2jpo s PRO 2 Cb 0.00 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.49 2jpo s PRO 2 CO 0.00 -3.69 0.00 -1.91 0.04 0.00 0.00 177.00 171.44 2jpo n GLU 3 N 8.74 0.00 -3.32 4.56 2.13 -1.26 -4.88 120.64 126.62 2jpo n GLU 3 Ca 0.42 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.98 2jpo n GLU 3 Cb 0.46 -0.15 -0.09 0.00 0.27 0.00 0.00 31.44 31.94 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 -3.46 -0.93 -0.49 6.31 -5.35 -1.26 -5.14 119.36 109.04 2jpo n ILE 4 Ca 0.00 -3.70 -0.29 0.00 -0.27 0.00 0.00 62.75 58.49 2jpo n ILE 4 Cb 0.01 -1.79 0.25 0.00 -1.74 0.00 0.00 39.64 36.37 2jpo n ILE 4 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 2jpo n MET 5 N 2.23 -2.48 -1.53 6.28 0.00 -1.26 -4.82 117.12 115.53 2jpo n MET 5 Ca 0.26 -0.70 -0.37 0.00 0.00 0.00 0.00 57.70 56.90 2jpo n MET 5 Cb 0.50 -2.11 -0.07 0.00 0.00 0.00 0.00 33.22 31.53 2jpo n MET 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2jpo n LYS 6 N -4.70 0.67 -4.03 3.17 5.02 -1.26 -4.89 118.16 112.14 2jpo n LYS 6 Ca 0.02 -0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 2jpo n LYS 6 Cb 0.55 -2.80 -0.04 0.00 -0.02 0.00 0.00 35.03 32.72 2jpo n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jpo s ASN 7 N 10.98 5.94 -1.42 4.39 2.20 -1.26 -5.00 114.94 130.78 2jpo s ASN 7 Ca 1.10 -0.04 -0.14 0.00 -0.94 0.00 0.00 52.86 52.84 2jpo s ASN 7 Cb -0.53 -1.66 0.06 0.00 -2.00 0.00 0.00 41.25 37.12 2jpo s ASN 7 CO 0.33 -0.01 2.12 0.18 -2.94 0.00 0.00 177.10 176.78 2jpo n LEU 8 N -0.99 6.58 0.06 3.54 4.32 -1.26 -3.35 117.00 125.90 2jpo n LEU 8 Ca -0.08 -4.17 0.00 0.00 -0.02 0.00 0.00 56.01 51.74 2jpo n LEU 8 Cb 0.56 -1.65 0.00 0.00 -1.62 0.00 0.00 43.42 40.71 2jpo n LEU 8 CO 0.45 1.01 0.00 -0.24 -1.22 0.00 0.00 177.39 177.38 2jpo n SER 9 N 6.17 0.02 -0.33 -1.43 2.88 -1.26 -4.85 113.62 114.82 2jpo n SER 9 Ca 0.50 0.22 0.02 0.00 -1.33 0.00 0.00 58.87 58.28 2jpo n SER 9 Cb 0.40 0.14 0.16 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.88 -0.05 -3.46 2.35 -1.96 0.35 115.58 113.68 2jpo h ASN 10 Ca 0.00 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 2jpo h ASN 10 Cb 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2jpo h ASN 10 CO 0.00 0.54 -0.33 0.78 -1.65 0.00 0.00 177.43 176.78 2jpo h ASN 11 N 1.00 0.38 0.16 5.81 2.35 -1.83 0.00 115.58 123.45 2jpo h ASN 11 Ca 0.40 -0.67 0.02 0.00 -0.55 0.00 0.00 56.30 55.50 2jpo h ASN 11 Cb 0.22 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 2jpo h ASN 11 CO -0.19 0.99 -0.38 -0.26 -1.65 0.00 0.00 177.43 175.94 2jpo h PHE 12 N -0.21 -1.05 0.00 1.19 0.04 -1.45 -2.02 116.94 113.43 2jpo h PHE 12 Ca -0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jpo h PHE 12 Cb 0.99 0.44 0.00 0.00 2.20 0.00 0.00 35.95 39.58 2jpo h PHE 12 CO 0.14 -0.49 0.00 0.41 -0.60 0.00 0.00 178.31 177.77 2jpo n GLY 13 N -1.45 -1.22 0.20 -1.45 0.00 0.08 -1.95 105.19 99.39 2jpo n GLY 13 Ca -0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 2jpo n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jpo h LYS 14 N 0.00 -0.39 -0.71 1.61 3.64 -0.38 -2.90 116.57 117.44 2jpo h LYS 14 Ca 0.00 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.56 2jpo h LYS 14 Cb 0.37 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.17 2jpo h LYS 14 CO 0.00 -0.21 0.13 0.00 -2.27 0.00 0.00 179.45 177.10 2jpo h ALA 15 N -1.00 0.87 -0.32 5.00 0.00 -1.03 0.14 119.26 122.93 2jpo h ALA 15 Ca -0.04 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2jpo h ALA 15 Cb 0.37 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2jpo h ALA 15 CO 0.07 -0.36 -0.39 1.98 0.00 0.00 0.00 179.25 180.55 2jpo h MET 16 N 0.23 -0.34 -0.37 0.00 1.85 -1.50 -0.47 114.93 114.33 2jpo h MET 16 Ca 0.40 0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 59.41 2jpo h MET 16 Cb 0.67 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 2jpo h MET 16 CO -0.52 -0.23 -0.16 0.22 -0.40 0.00 0.00 176.91 175.82 2jpo h ASP 17 N -0.35 0.78 -0.19 1.39 1.82 -0.83 0.35 116.42 119.39 2jpo h ASP 17 Ca 0.13 -0.40 0.05 0.00 -0.39 0.00 0.00 57.03 56.42 2jpo h ASP 17 Cb 0.58 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.33 2jpo h ASP 17 CO -0.50 1.01 -0.10 1.56 -1.61 0.00 0.00 179.24 179.59 2jpo h GLN 18 N 0.56 -0.09 -0.15 0.28 4.20 -0.61 -2.06 115.11 117.24 2jpo h GLN 18 Ca 0.09 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 2jpo h GLN 18 Cb 0.70 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2jpo h GLN 18 CO 0.05 -0.06 -0.45 0.00 -0.67 0.00 0.00 178.83 177.70 2jpo h LYS 20 N 0.30 0.00 0.00 0.00 3.64 0.34 0.15 116.57 121.01 2jpo h LYS 20 Ca 0.02 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 2jpo h LYS 20 Cb 0.91 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2jpo h LYS 20 CO 0.08 0.00 -1.30 -3.47 -2.27 0.00 0.00 179.45 172.49 2jpo n ASP 21 N -2.50 1.44 -0.35 4.20 2.03 -0.84 -1.74 116.55 118.79 2jpo n ASP 21 Ca -0.00 0.24 0.11 0.00 0.52 0.00 0.00 54.79 55.65 2jpo n ASP 21 Cb 0.13 -0.56 0.29 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.63 0.76 0.00 -0.67 5.08 -0.62 -2.05 114.58 116.46 2jpo h GLU 22 Ca -0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2jpo h GLU 22 Cb 1.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2jpo h GLU 22 CO -0.13 0.50 -0.87 1.28 -1.00 0.00 0.00 179.01 178.79 2jpo n LEU 23 N -4.76 0.76 -3.14 1.33 4.77 0.53 -5.01 117.00 111.47 2jpo n LEU 23 Ca 0.22 -0.47 -0.19 0.00 -0.03 0.00 0.00 56.01 55.54 2jpo n LEU 23 Cb 0.51 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.67 2jpo n LEU 23 CO 0.22 0.19 0.18 -0.24 -1.33 0.00 0.00 177.39 176.41 2jpo n SER 24 N -1.45 -4.71 -4.72 -1.43 2.88 -0.77 -4.94 113.62 98.48 2jpo n SER 24 Ca 0.03 -0.48 -0.42 0.00 -1.33 0.00 0.00 58.87 56.67 2jpo n SER 24 Cb 0.28 -4.42 -0.03 0.00 -0.75 0.00 0.00 64.21 59.29 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 -6.23 4.37 0.71 2.46 1.43 -0.71 -4.95 118.68 115.76 2jpo s LEU 25 Ca 0.36 2.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.88 2jpo s LEU 25 Cb -0.16 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2jpo s LEU 25 CO 0.63 -0.76 1.10 -2.16 0.23 0.00 0.00 176.35 175.39 2jpo s PRO 26 N 0.91 2.56 0.46 1.29 0.04 -1.26 -4.81 135.00 134.20 2jpo s PRO 26 Ca 0.67 1.29 0.15 0.00 0.04 0.00 0.00 61.00 63.15 2jpo s PRO 26 Cb -0.42 -1.93 1.10 0.00 0.04 0.00 0.00 34.50 33.30 2jpo s PRO 26 CO 0.33 -1.42 2.02 0.22 0.04 0.00 0.00 177.00 178.19 2jpo h ASP 27 N -0.47 0.26 0.41 6.66 3.58 -1.98 -0.07 116.42 124.81 2jpo h ASP 27 Ca -0.45 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 2jpo h ASP 27 Cb 1.24 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2jpo h ASP 27 CO 0.53 0.17 -0.32 0.77 -2.88 0.00 0.00 179.24 177.50 2jpo h SER 28 N 0.29 -0.84 0.30 2.28 4.64 -1.98 0.18 113.55 118.43 2jpo h SER 28 Ca 0.20 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.50 2jpo h SER 28 Cb 0.43 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2jpo h SER 28 CO -0.04 -0.48 -0.36 0.58 -0.87 0.00 0.00 176.83 175.66 2jpo h VAL 29 N -0.73 1.28 0.34 0.95 2.07 -1.43 0.33 116.25 119.05 2jpo h VAL 29 Ca -0.04 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 2jpo h VAL 29 Cb 0.63 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2jpo h VAL 29 CO -0.01 0.38 -0.16 0.58 0.02 0.00 0.00 177.57 178.38 2jpo h VAL 30 N 0.08 0.57 -0.65 2.57 2.07 -0.97 -1.32 116.25 118.60 2jpo h VAL 30 Ca 0.01 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 2jpo h VAL 30 Cb 0.68 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2jpo h VAL 30 CO 0.05 0.11 0.21 0.00 0.02 0.00 0.00 177.57 177.96 2jpo h ALA 31 N -0.44 1.14 -0.95 1.67 0.00 -0.44 -1.17 119.26 119.06 2jpo h ALA 31 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jpo h ALA 31 Cb 0.53 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2jpo h ALA 31 CO 0.08 0.60 0.61 -0.44 0.00 0.00 0.00 179.25 180.09 2jpo h ASP 32 N 0.96 1.12 0.07 0.00 3.32 -0.41 -0.73 116.42 120.74 2jpo h ASP 32 Ca 0.21 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2jpo h ASP 32 Cb 0.26 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2jpo h ASP 32 CO -0.01 0.83 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.24 2jpo h LEU 33 N 1.30 -0.08 -1.11 1.55 -0.00 -0.10 -2.03 115.31 114.85 2jpo h LEU 33 Ca 0.35 -0.10 0.11 0.00 -0.00 0.00 0.00 57.88 58.24 2jpo h LEU 33 Cb -0.11 0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 40.50 2jpo h LEU 33 CO -0.07 0.05 0.61 1.88 -0.00 0.00 0.00 178.44 180.91 2jpo h TYR 34 N -0.20 1.04 -0.35 1.13 0.05 -0.88 -2.16 116.97 115.59 2jpo h TYR 34 Ca -0.01 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 2jpo h TYR 34 Cb 0.17 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 2jpo h TYR 34 CO -0.04 0.45 0.05 -0.91 -1.05 0.00 0.00 178.16 176.66 2jpo h ASN 35 N 0.94 0.49 0.59 3.88 2.35 -0.73 -2.60 115.58 120.49 2jpo h ASN 35 Ca 0.46 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 2jpo h ASN 35 Cb 0.46 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2jpo h ASN 35 CO -0.22 0.52 -0.41 0.15 -1.65 0.00 0.00 177.43 175.82 2jpo h PHE 36 N 0.51 -1.10 0.00 1.19 3.57 -0.69 -2.84 116.94 117.58 2jpo h PHE 36 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2jpo h PHE 36 Cb 0.25 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2jpo h PHE 36 CO 0.01 -0.61 0.00 -1.49 -2.23 0.00 0.00 178.31 173.99 2jpo h TRP 37 N -0.97 0.00 0.04 0.41 4.06 -1.56 -3.35 115.95 114.58 2jpo h TRP 37 Ca -0.07 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 2jpo h TRP 37 Cb 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 2jpo h TRP 37 CO -0.14 0.00 -0.02 0.87 -3.56 0.00 0.00 178.44 175.59 2jpo h LYS 38 N 0.00 -0.05 0.00 0.49 1.57 -1.21 -3.47 116.57 113.90 2jpo h LYS 38 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jpo h LYS 38 Cb 0.63 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2jpo h LYS 38 CO 0.00 -0.03 0.00 -0.25 -0.57 0.00 0.00 179.45 178.60 2jpo n ASP 39 N -2.16 0.00 -0.11 0.86 8.00 -1.20 -5.06 116.55 116.88 2jpo n ASP 39 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2jpo n ASP 39 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.12 0.00 -4.72 -2.24 5.75 -1.26 -5.04 116.55 108.91 2jpo n ASP 40 Ca 0.00 -1.04 -0.32 0.00 -0.01 0.00 0.00 54.79 53.42 2jpo n ASP 40 Cb 0.00 -0.01 0.12 0.00 -1.03 0.00 0.00 41.12 40.20 2jpo n ASP 40 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2jpo s TYR 41 N 0.00 2.10 -0.12 2.11 6.14 -1.26 -5.05 117.35 121.27 2jpo s TYR 41 Ca 0.00 1.66 0.02 0.00 0.64 0.00 0.00 57.07 59.39 2jpo s TYR 41 Cb 0.00 -3.26 0.01 0.00 0.42 0.00 0.00 41.96 39.14 2jpo s TYR 41 CO 0.00 -2.34 -0.17 0.08 0.64 0.00 0.00 175.55 173.76 2jpo s VAL 42 N -2.57 1.67 0.32 3.14 1.01 -1.26 -4.75 120.40 117.95 2jpo s VAL 42 Ca 0.66 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 2jpo s VAL 42 Cb -0.22 -1.51 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 2jpo s VAL 42 CO 0.53 0.47 1.32 -0.04 0.00 0.00 0.00 175.10 177.39 2jpo s MET 43 N 0.99 4.34 0.00 2.72 -1.94 -1.26 -4.93 119.30 119.22 2jpo s MET 43 Ca -0.06 2.23 0.00 0.00 -1.71 0.00 0.00 55.69 56.15 2jpo s MET 43 Cb -0.15 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.62 2jpo s MET 43 CO -0.03 -0.22 0.09 0.25 -0.01 0.00 0.00 175.02 175.10 2jpo n THR 44 N 1.00 0.00 -0.66 2.05 -2.24 -1.26 -5.05 114.28 108.12 2jpo n THR 44 Ca 0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2jpo n THR 44 Cb 0.42 1.57 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 2jpo n THR 44 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jpo n ASP 45 N -0.06 -0.35 0.00 3.42 8.00 -1.26 -5.09 116.55 121.21 2jpo n ASP 45 Ca 0.00 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.84 2jpo n ASP 45 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2jpo n ASP 45 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2jpo n ARG 46 N -1.01 0.00 0.29 -1.24 0.63 -1.26 -4.79 116.66 109.28 2jpo n ARG 46 Ca 0.00 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.11 2jpo n ARG 46 Cb 0.00 -0.64 0.98 0.00 0.45 0.00 0.00 32.46 33.25 2jpo n ARG 46 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2jpo h LEU 47 N 0.00 0.00 -0.54 6.15 3.38 -1.99 -0.43 115.31 121.88 2jpo h LEU 47 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2jpo h LEU 47 Cb 0.62 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 2jpo h LEU 47 CO 0.00 0.00 0.26 0.00 0.09 0.00 0.00 178.44 178.79 2jpo h ALA 48 N 1.81 0.70 -0.14 1.53 0.00 -1.87 0.49 119.26 121.78 2jpo h ALA 48 Ca 0.03 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2jpo h ALA 48 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jpo h ALA 48 CO -0.00 -0.11 -0.27 0.78 0.00 0.00 0.00 179.25 179.66 2jpo h GLY 49 N 0.49 0.27 1.03 0.00 0.00 -1.20 -1.89 103.07 101.76 2jpo h GLY 49 Ca 0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 2jpo h GLY 49 CO -0.20 0.19 0.21 0.00 0.00 0.00 0.00 176.54 176.74 2jpo h ALA 51 N 1.08 0.14 0.30 0.00 0.00 -0.34 -0.24 119.26 120.21 2jpo h ALA 51 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jpo h ALA 51 Cb 0.29 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jpo h ALA 51 CO -0.01 -0.42 -0.39 0.82 0.00 0.00 0.00 179.25 179.25 2jpo h ILE 52 N 0.09 0.20 0.00 0.00 2.04 -1.19 -0.77 117.51 117.88 2jpo h ILE 52 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2jpo h ILE 52 Cb 0.05 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2jpo h ILE 52 CO -0.08 0.00 -0.07 -0.55 0.00 0.00 0.00 178.15 177.45 2jpo h ASN 53 N -0.75 0.00 -0.03 1.72 7.08 -0.87 -1.33 115.58 121.41 2jpo h ASN 53 Ca -0.01 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.15 2jpo h ASN 53 Cb 0.70 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.94 2jpo h ASN 53 CO -0.12 0.07 -0.20 0.00 -2.08 0.00 0.00 177.43 175.11 2jpo h LEU 55 N -0.43 0.71 -1.16 0.00 3.38 -0.65 -1.19 115.31 115.97 2jpo h LEU 55 Ca -0.02 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jpo h LEU 55 Cb 0.88 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2jpo h LEU 55 CO 0.04 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.72 2jpo h ALA 56 N 1.71 1.00 0.00 1.53 0.00 -1.04 0.46 119.26 122.92 2jpo h ALA 56 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2jpo h ALA 56 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jpo h ALA 56 CO -0.45 0.00 -0.38 1.79 0.00 0.00 0.00 179.25 180.21 2jpo h THR 57 N 0.00 0.00 -0.71 0.00 1.35 -0.85 -3.40 112.91 109.31 2jpo h THR 57 Ca 0.00 -0.50 -0.49 0.00 -0.55 0.00 0.00 66.41 64.87 2jpo h THR 57 Cb 0.60 1.25 -0.31 0.00 -1.73 0.00 0.00 68.15 67.96 2jpo h THR 57 CO 0.00 0.00 -0.21 0.29 -0.25 0.00 0.00 175.52 175.35 2jpo n LYS 58 N -2.20 2.92 0.30 4.72 5.02 0.15 -4.75 118.16 124.32 2jpo n LYS 58 Ca 0.04 -3.70 0.18 0.00 -2.02 0.00 0.00 58.31 52.81 2jpo n LYS 58 Cb 0.44 -2.16 0.91 0.00 -0.02 0.00 0.00 35.03 34.19 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 1.83 0.00 0.18 -0.35 3.38 -1.77 0.30 115.31 118.88 2jpo h LEU 59 Ca 0.39 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.04 2jpo h LEU 59 Cb 1.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.14 2jpo h LEU 59 CO 0.87 0.03 -1.55 -0.78 0.09 0.00 0.00 178.44 177.11 2jpo h ASP 60 N 0.00 0.59 -0.16 -0.43 1.82 -1.83 -2.29 116.42 114.11 2jpo h ASP 60 Ca -0.00 -0.74 -0.03 0.00 -0.39 0.00 0.00 57.03 55.87 2jpo h ASP 60 Cb 0.26 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2jpo h ASP 60 CO 0.00 1.61 -0.01 1.62 -1.61 0.00 0.00 179.24 180.85 2jpo h VAL 61 N 0.10 1.26 0.00 2.25 3.04 -1.52 -1.08 116.25 120.30 2jpo h VAL 61 Ca -0.26 -0.89 -0.19 0.00 -1.01 0.00 0.00 66.70 64.35 2jpo h VAL 61 Cb 2.08 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 32.86 2jpo h VAL 61 CO 0.20 0.26 -0.91 1.62 -1.01 0.00 0.00 177.57 177.74 2jpo h VAL 62 N 0.03 1.53 -2.50 1.51 3.04 -1.13 -3.39 116.25 115.35 2jpo h VAL 62 Ca 0.05 -3.17 -0.59 0.00 -1.01 0.00 0.00 66.70 61.98 2jpo h VAL 62 Cb 0.40 2.75 -0.39 0.00 -2.01 0.00 0.00 31.29 32.05 2jpo h VAL 62 CO 0.01 0.87 -0.91 -0.62 -1.01 0.00 0.00 177.57 175.91 2jpo s ASP 63 N -6.65 2.10 0.00 3.17 2.15 -0.86 -3.29 116.67 113.29 2jpo s ASP 63 Ca 0.02 -2.95 0.00 0.00 0.43 0.00 0.00 52.55 50.04 2jpo s ASP 63 Cb 0.09 -0.56 0.01 0.00 -0.30 0.00 0.00 42.92 42.16 2jpo s ASP 63 CO 0.80 -0.19 0.91 -0.81 -0.17 0.00 0.00 175.17 175.71 2jpo n PRO 64 N 3.02 0.91 0.09 4.34 -0.04 -0.41 -1.92 135.00 141.00 2jpo n PRO 64 Ca 0.25 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 2jpo n PRO 64 Cb 0.44 -1.00 0.43 0.00 -0.04 0.00 0.00 33.50 33.33 2jpo n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jpo n ASP 65 N -0.50 0.72 -0.02 3.54 9.92 -1.26 -4.97 116.55 123.97 2jpo n ASP 65 Ca 0.00 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 2jpo n ASP 65 Cb 0.00 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 2jpo n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jpo n GLY 66 N 1.33 1.32 0.58 0.44 0.00 -0.81 -4.99 105.19 103.07 2jpo n GLY 66 Ca 0.06 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 0.75 0.96 -4.66 1.61 3.02 -1.26 -4.95 115.26 110.74 2jpo n ASN 67 Ca 0.00 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 2jpo n ASN 67 Cb 0.19 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 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 -6.74 4.36 0.19 3.41 0.20 -1.26 -4.21 118.68 114.62 2jpo s LEU 68 Ca -0.19 2.44 -0.00 0.00 0.69 0.00 0.00 54.13 57.07 2jpo s LEU 68 Cb 0.07 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.26 2jpo s LEU 68 CO 0.24 -1.01 0.10 -1.00 -0.29 0.00 0.00 176.35 174.38 2jpo s HIS 69 N 4.34 1.16 0.55 5.38 3.76 -0.61 -4.67 115.29 125.19 2jpo s HIS 69 Ca 0.81 -1.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.24 2jpo s HIS 69 Cb -0.38 -0.61 -0.05 0.00 1.11 0.00 0.00 32.58 32.66 2jpo s HIS 69 CO 0.36 -0.53 1.23 -3.38 -0.85 0.00 0.00 174.74 171.57 2jpo s HIS 70 N -4.03 2.47 0.00 1.40 -3.43 -1.26 -1.37 115.29 109.07 2jpo s HIS 70 Ca 0.34 1.49 0.00 0.00 -0.80 0.00 0.00 55.06 56.09 2jpo s HIS 70 Cb 0.07 -3.53 0.00 0.00 -1.43 0.00 0.00 32.58 27.69 2jpo s HIS 70 CO 0.09 -2.22 0.00 0.41 -2.00 0.00 0.00 174.74 171.02 2jpo n GLY 71 N 0.55 0.00 2.45 -1.38 0.00 0.70 -4.88 105.19 102.63 2jpo n GLY 71 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2jpo n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jpo s ASN 72 N -1.99 2.40 0.00 1.61 3.84 -0.47 -4.83 114.94 115.49 2jpo s ASN 72 Ca 0.00 -2.60 0.20 0.00 0.21 0.00 0.00 52.86 50.67 2jpo s ASN 72 Cb 0.00 -0.47 0.78 0.00 -0.55 0.00 0.00 41.25 41.01 2jpo s ASN 72 CO 0.00 -0.25 1.56 0.00 -2.79 0.00 0.00 177.10 175.62 2jpo n ALA 73 N 3.49 2.53 -0.01 1.71 0.00 -1.26 -1.58 120.51 125.39 2jpo n ALA 73 Ca 0.19 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 2jpo n ALA 73 Cb 0.41 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 1.88 -0.09 -0.91 0.00 1.57 -1.89 0.57 116.57 117.70 2jpo h LYS 74 Ca 0.00 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2jpo h LYS 74 Cb 0.41 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 2jpo h LYS 74 CO 0.00 0.34 0.57 -0.44 -0.57 0.00 0.00 179.45 179.35 2jpo h ASP 75 N -0.97 0.88 0.12 0.86 5.19 -1.84 -1.82 116.42 118.85 2jpo h ASP 75 Ca -0.01 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2jpo h ASP 75 Cb 0.47 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.82 2jpo h ASP 75 CO 0.02 0.54 -0.06 0.15 -3.12 0.00 0.00 179.24 176.76 2jpo h PHE 76 N 1.00 -0.15 -0.53 4.55 3.57 -1.72 -0.87 116.94 122.79 2jpo h PHE 76 Ca 0.41 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.01 2jpo h PHE 76 Cb 0.25 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.96 2jpo h PHE 76 CO -0.02 -0.03 0.03 0.00 -2.23 0.00 0.00 178.31 176.06 2jpo h ALA 77 N 0.63 0.53 0.00 2.41 0.00 -0.63 -1.49 119.26 120.70 2jpo h ALA 77 Ca -0.02 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2jpo h ALA 77 Cb 0.19 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jpo h ALA 77 CO 0.03 -0.37 -0.26 0.52 0.00 0.00 0.00 179.25 179.17 2jpo h MET 78 N 0.15 0.00 -0.11 0.00 2.86 -0.86 0.15 114.93 117.12 2jpo h MET 78 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2jpo h MET 78 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2jpo h MET 78 CO -0.42 0.26 0.00 1.63 1.06 0.00 0.00 176.91 179.45 2jpo n LYS 79 N -4.02 1.39 0.00 1.72 4.76 -0.37 -4.27 118.16 117.36 2jpo n LYS 79 Ca -0.02 -0.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.82 2jpo n LYS 79 Cb 0.33 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 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 -0.14 0.00 0.00 2.13 8.25 -0.41 -5.03 115.22 120.02 2jpo n HIS 80 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2jpo n HIS 80 Cb 0.19 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 2.91 0.00 3.04 -1.41 0.00 -0.09 -5.10 105.19 104.53 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 0.00 -0.47 0.91 4.61 0.00 -0.73 -5.02 121.76 121.06 2jpo s ALA 82 Ca 0.00 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 2jpo s ALA 82 Cb 0.00 -0.46 0.16 0.00 0.00 0.00 0.00 23.12 22.82 2jpo s ALA 82 CO 0.00 -0.14 1.26 -0.51 0.00 0.00 0.00 175.76 176.37 2jpo s ASP 83 N 0.71 3.59 0.42 0.00 1.01 -1.26 -3.05 116.67 118.09 2jpo s ASP 83 Ca -0.05 0.48 0.18 0.00 0.71 0.00 0.00 52.55 53.87 2jpo s ASP 83 Cb -0.06 -0.71 1.10 0.00 1.01 0.00 0.00 42.92 44.26 2jpo s ASP 83 CO -0.04 -2.45 1.86 -0.08 0.21 0.00 0.00 175.17 174.67 2jpo h GLU 84 N -1.44 0.38 0.33 8.23 4.81 -1.98 0.22 114.58 125.12 2jpo h GLU 84 Ca -0.45 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2jpo h GLU 84 Cb 1.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2jpo h GLU 84 CO 0.49 0.25 -0.16 1.15 -0.73 0.00 0.00 179.01 180.01 2jpo h THR 85 N 0.39 0.00 -0.33 0.32 2.02 -1.97 0.41 112.91 113.75 2jpo h THR 85 Ca 0.46 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.67 2jpo h THR 85 Cb 1.15 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 2jpo h THR 85 CO -0.16 0.00 -0.04 0.24 0.37 0.00 0.00 175.52 175.93 2jpo h MET 86 N -0.47 0.04 -0.23 6.66 2.86 -1.79 0.29 114.93 122.30 2jpo h MET 86 Ca -0.05 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2jpo h MET 86 Cb 0.34 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 2jpo h MET 86 CO 0.07 0.03 -0.23 0.00 1.06 0.00 0.00 176.91 177.85 2jpo h ALA 87 N 1.30 -0.12 0.00 6.32 0.00 -0.64 -1.62 119.26 124.51 2jpo h ALA 87 Ca 0.16 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jpo h ALA 87 Cb 0.23 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jpo h ALA 87 CO -0.30 -0.66 -0.14 0.37 0.00 0.00 0.00 179.25 178.52 2jpo h GLN 88 N -0.24 0.00 0.16 0.00 5.75 0.18 -2.04 115.11 118.91 2jpo h GLN 88 Ca 0.13 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2jpo h GLN 88 Cb 0.44 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 2jpo h GLN 88 CO -0.36 0.14 -0.11 1.96 -2.65 0.00 0.00 178.83 177.81 2jpo h GLN 89 N 0.00 -0.26 -0.45 1.69 4.20 0.42 -2.12 115.11 118.60 2jpo h GLN 89 Ca -0.00 0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 2jpo h GLN 89 Cb 0.71 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 2jpo h GLN 89 CO 0.02 -0.17 -0.27 -0.07 -0.67 0.00 0.00 178.83 177.66 2jpo h LEU 90 N -0.27 1.01 -1.51 1.46 3.38 -0.72 -0.91 115.31 117.74 2jpo h LEU 90 Ca -0.01 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 2jpo h LEU 90 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2jpo h LEU 90 CO -0.00 1.20 -0.23 -0.37 0.09 0.00 0.00 178.44 179.13 2jpo h VAL 91 N 0.82 0.80 0.00 1.22 -1.51 -1.44 -1.44 116.25 114.69 2jpo h VAL 91 Ca 0.09 -0.92 -0.07 0.00 -1.23 0.00 0.00 66.70 64.58 2jpo h VAL 91 Cb 0.86 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.56 2jpo h VAL 91 CO 0.08 0.22 -0.31 -0.78 -1.23 0.00 0.00 177.57 175.55 2jpo h ASP 92 N 0.00 0.00 0.33 4.19 3.58 -0.46 0.49 116.42 124.55 2jpo h ASP 92 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2jpo h ASP 92 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2jpo h ASP 92 CO 0.03 0.31 -0.16 0.40 -2.88 0.00 0.00 179.24 176.94 2jpo h ILE 93 N 0.00 0.68 -0.11 2.25 1.08 -0.71 0.24 117.51 120.94 2jpo h ILE 93 Ca -0.00 -0.43 -0.18 0.00 -0.39 0.00 0.00 64.86 63.86 2jpo h ILE 93 Cb 0.57 0.90 0.01 0.00 -3.07 0.00 0.00 36.82 35.23 2jpo h ILE 93 CO 0.04 0.08 -0.65 -0.29 -0.69 0.00 0.00 178.15 176.64 2jpo h ILE 94 N -0.69 1.33 -0.12 -0.67 6.09 -1.18 -1.22 117.51 121.05 2jpo h ILE 94 Ca -0.05 -1.93 -0.02 0.00 -1.37 0.00 0.00 64.86 61.49 2jpo h ILE 94 Cb 0.48 2.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.92 2jpo h ILE 94 CO 0.08 0.59 -0.04 0.45 -3.07 0.00 0.00 178.15 176.16 2jpo h HIS 95 N 0.29 0.17 -0.04 2.19 3.86 -0.11 0.47 115.15 121.98 2jpo h HIS 95 Ca -0.05 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 2jpo h HIS 95 Cb 1.30 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.71 2jpo h HIS 95 CO 0.11 0.22 -0.10 0.78 0.86 0.00 0.00 177.93 179.79 2jpo h GLY 96 N 0.46 0.14 1.01 2.45 0.00 -0.66 -2.41 103.07 104.06 2jpo h GLY 96 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2jpo h GLY 96 CO 0.01 0.16 0.50 0.00 0.00 0.00 0.00 176.54 177.21 2jpo h GLU 98 N 1.06 1.12 0.00 0.00 4.11 -0.12 0.19 114.58 120.95 2jpo h GLU 98 Ca 0.28 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2jpo h GLU 98 Cb -0.10 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.92 2jpo h GLU 98 CO -0.06 0.79 0.00 1.63 0.07 0.00 0.00 179.01 181.44 2jpo n LYS 99 N -4.45 0.18 -0.04 1.06 4.01 -0.91 -3.59 118.16 114.43 2jpo n LYS 99 Ca 0.08 0.30 0.03 0.00 -0.51 0.00 0.00 58.31 58.22 2jpo n LYS 99 Cb 0.06 -1.78 0.04 0.00 -0.51 0.00 0.00 35.03 32.84 2jpo n LYS 99 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2jpo n SER 100 N -2.10 1.86 -4.72 4.39 7.64 -0.44 -5.06 113.62 115.19 2jpo n SER 100 Ca 0.04 -2.25 -0.39 0.00 1.01 0.00 0.00 58.87 57.28 2jpo n SER 100 Cb 0.30 -0.14 0.04 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 n ALA 101 N -0.73 1.31 -1.25 -0.43 0.00 -0.07 -4.98 120.51 114.36 2jpo n ALA 101 Ca 0.05 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 2jpo n ALA 101 Cb 0.41 -2.30 0.09 0.00 0.00 0.00 0.00 19.45 17.65 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 -2.77 2.24 -0.65 0.00 0.04 -1.26 -4.88 135.00 127.71 2jpo s PRO 102 Ca 0.71 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 2jpo s PRO 102 Cb -0.43 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 2jpo s PRO 102 CO 0.50 -1.66 2.15 -1.25 0.04 0.00 0.00 177.00 176.78 2jpo s PRO 103 N -4.87 2.25 -0.30 0.56 0.04 -1.26 -4.73 135.00 126.69 2jpo s PRO 103 Ca 0.61 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 2jpo s PRO 103 Cb -0.17 -4.64 0.19 0.00 0.04 0.00 0.00 34.50 29.92 2jpo s PRO 103 CO 0.56 -3.33 1.20 1.21 0.04 0.00 0.00 177.00 176.68 2jpo s ASN 104 N 9.96 -0.20 -0.13 6.66 2.47 -1.26 -5.17 114.94 127.26 2jpo s ASN 104 Ca 0.82 0.28 -0.06 0.00 0.42 0.00 0.00 52.86 54.32 2jpo s ASN 104 Cb -0.13 1.19 -0.04 0.00 -1.45 0.00 0.00 41.25 40.82 2jpo s ASN 104 CO 0.17 -0.04 0.11 1.51 -3.72 0.00 0.00 177.10 175.12 2jpo s ASP 105 N 1.89 6.08 -0.17 -4.21 -4.77 -1.26 -4.55 116.67 109.68 2jpo s ASP 105 Ca -0.02 0.34 -0.35 0.00 -3.30 0.00 0.00 52.55 49.22 2jpo s ASP 105 Cb -0.02 -1.95 0.15 0.00 -1.09 0.00 0.00 42.92 40.01 2jpo s ASP 105 CO -0.15 0.36 1.43 -1.81 0.70 0.00 0.00 175.17 175.69 2jpo s ASP 106 N -0.72 -0.00 -0.00 2.11 1.01 -1.26 -4.89 116.67 112.92 2jpo s ASP 106 Ca 0.13 -0.00 0.06 0.00 0.71 0.00 0.00 52.55 53.45 2jpo s ASP 106 Cb -0.12 0.00 -0.08 0.00 1.01 0.00 0.00 42.92 43.73 2jpo s ASP 106 CO 0.03 -0.01 0.23 2.29 0.21 0.00 0.00 175.17 177.92 2jpo n LYS 107 N -0.32 3.16 -0.01 8.23 2.85 -1.26 -4.13 118.16 126.68 2jpo n LYS 107 Ca -0.04 -0.02 0.03 0.00 -1.05 0.00 0.00 58.31 57.22 2jpo n LYS 107 Cb 0.61 -0.93 0.02 0.00 -0.65 0.00 0.00 35.03 34.08 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 0.27 0.00 -0.30 0.00 2.81 -1.26 -3.98 117.12 114.66 2jpo n MET 109 Ca 0.03 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.01 2jpo n MET 109 Cb 0.14 -0.29 0.25 0.00 -0.71 0.00 0.00 33.22 32.61 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 0.00 0.53 -0.78 0.03 3.64 -1.80 0.12 116.57 118.31 2jpo h LYS 110 Ca 0.00 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2jpo h LYS 110 Cb 0.00 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.62 2jpo h LYS 110 CO 0.00 0.35 0.42 1.15 -2.27 0.00 0.00 179.45 179.10 2jpo h THR 111 N 0.55 0.85 -0.84 1.00 2.02 -1.79 0.24 112.91 114.94 2jpo h THR 111 Ca 0.49 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 2jpo h THR 111 Cb 0.78 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2jpo h THR 111 CO -0.41 0.12 0.39 0.40 0.37 0.00 0.00 175.52 176.39 2jpo h ILE 112 N 0.68 1.26 0.23 3.11 2.04 -1.01 0.11 117.51 123.93 2jpo h ILE 112 Ca 0.39 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2jpo h ILE 112 Cb 0.42 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2jpo h ILE 112 CO -0.28 0.32 -0.11 0.44 0.00 0.00 0.00 178.15 178.52 2jpo h ASP 113 N 1.21 -0.26 -0.83 1.72 3.32 -0.51 0.90 116.42 121.97 2jpo h ASP 113 Ca 0.29 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2jpo h ASP 113 Cb 0.14 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2jpo h ASP 113 CO -0.03 -0.01 0.48 0.58 -1.72 0.00 0.00 179.24 178.53 2jpo h VAL 114 N -0.50 1.24 0.52 -1.35 2.07 -0.91 0.18 116.25 117.50 2jpo h VAL 114 Ca -0.03 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2jpo h VAL 114 Cb 0.38 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2jpo h VAL 114 CO 0.05 0.26 -0.25 0.00 0.02 0.00 0.00 177.57 177.65 2jpo h ALA 115 N 1.36 -0.70 -0.25 1.67 0.00 -0.69 -1.30 119.26 119.35 2jpo h ALA 115 Ca 0.30 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jpo h ALA 115 Cb -0.01 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jpo h ALA 115 CO -0.05 -0.79 -0.16 0.00 0.00 0.00 0.00 179.25 178.24 2jpo h MET 116 N -0.90 0.44 -0.60 0.00 -0.00 -0.70 -2.02 114.93 111.15 2jpo h MET 116 Ca -0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 2jpo h MET 116 Cb 0.61 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 32.14 2jpo h MET 116 CO 0.12 0.59 0.39 0.00 -0.00 0.00 0.00 176.91 178.01 2jpo h PHE 118 N 0.82 -1.50 -0.79 0.00 3.57 -0.45 0.22 116.94 118.81 2jpo h PHE 118 Ca 0.22 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.81 2jpo h PHE 118 Cb -0.08 0.66 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 2jpo h PHE 118 CO 0.00 -0.56 0.52 -0.22 -2.23 0.00 0.00 178.31 175.82 2jpo h LYS 119 N -0.65 0.93 0.00 1.11 3.64 -1.48 0.11 116.57 120.24 2jpo h LYS 119 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jpo h LYS 119 Cb 0.71 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2jpo h LYS 119 CO -0.36 0.62 0.00 0.87 -2.27 0.00 0.00 179.45 178.31 2jpo h LYS 120 N 0.96 0.00 -0.12 1.90 1.79 -0.45 -2.61 116.57 118.03 2jpo h LYS 120 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2jpo h LYS 120 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2jpo h LYS 120 CO -0.09 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.67 2jpo n GLU 121 N -3.05 1.52 -0.03 3.15 -0.58 0.63 -4.48 120.64 117.81 2jpo n GLU 121 Ca 0.00 -1.61 -0.13 0.00 -0.42 0.00 0.00 57.16 55.00 2jpo n GLU 121 Cb 0.26 -1.31 -0.00 0.00 -0.57 0.00 0.00 31.44 29.82 2jpo n GLU 121 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2jpo h ILE 122 N 2.99 1.30 -0.39 -3.67 2.04 -0.44 -3.35 117.51 115.99 2jpo h ILE 122 Ca 0.00 -1.83 0.06 0.00 1.00 0.00 0.00 64.86 64.09 2jpo h ILE 122 Cb 0.69 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2jpo h ILE 122 CO 0.00 0.58 0.26 1.12 0.00 0.00 0.00 178.15 180.11 2jpo h HIS 123 N 0.52 0.27 0.00 1.37 2.07 -1.79 0.92 115.15 118.52 2jpo h HIS 123 Ca -0.00 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2jpo h HIS 123 Cb 1.19 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 31.08 2jpo h HIS 123 CO 0.06 0.15 -0.00 1.57 -3.07 0.00 0.00 177.93 176.63 2jpo h LYS 124 N 0.27 0.00 -0.17 5.12 2.10 -1.90 -1.22 116.57 120.77 2jpo h LYS 124 Ca 0.17 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.73 2jpo h LYS 124 Cb 0.34 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2jpo h LYS 124 CO -0.03 0.00 -0.31 -0.07 -2.00 0.00 0.00 179.45 177.04 2jpo h LEU 125 N 0.00 0.35 0.00 7.07 3.38 -1.02 -3.47 115.31 121.62 2jpo h LEU 125 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jpo h LEU 125 Cb 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2jpo h LEU 125 CO 0.00 0.65 0.00 0.59 0.09 0.00 0.00 178.44 179.77 2jpo n ASN 126 N -4.09 0.00 -4.75 -0.43 5.03 -0.46 -4.97 115.26 105.58 2jpo n ASN 126 Ca -0.01 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.21 2jpo n ASN 126 Cb 0.42 -0.86 -0.06 0.00 -1.02 0.00 0.00 39.78 38.26 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 -2.61 2.68 -0.21 3.10 1.48 -1.26 -5.12 118.94 117.01 2jpo s TRP 127 Ca 0.00 -0.45 0.01 0.00 -1.06 0.00 0.00 56.10 54.60 2jpo s TRP 127 Cb 0.00 -1.79 0.04 0.00 -1.16 0.00 0.00 33.47 30.56 2jpo s TRP 127 CO 0.00 0.24 -0.13 0.08 -4.06 0.00 0.00 176.95 173.08 2jpo s VAL 128 N -2.48 1.88 1.00 -0.66 1.01 -1.26 -4.85 120.40 115.03 2jpo s VAL 128 Ca 0.40 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 2jpo s VAL 128 Cb -0.01 -1.89 0.19 0.00 0.00 0.00 0.00 36.38 34.66 2jpo s VAL 128 CO 0.23 0.21 1.08 -2.84 0.00 0.00 0.00 175.10 173.79 2jpo s PRO 129 N 1.29 0.43 0.79 2.72 0.02 -1.26 -5.04 135.00 133.95 2jpo s PRO 129 Ca -0.02 0.68 -0.15 0.00 0.02 0.00 0.00 61.00 61.53 2jpo s PRO 129 Cb -0.16 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.61 2jpo s PRO 129 CO -0.09 -2.78 0.41 0.09 -0.33 0.00 0.00 177.00 174.31 2jpo n ASN 130 N -4.23 -1.73 -0.25 2.53 3.02 -1.26 -4.89 115.26 108.45 2jpo n ASN 130 Ca 0.05 0.50 0.03 0.00 -0.03 0.00 0.00 54.58 55.14 2jpo n ASN 130 Cb 0.56 -1.18 0.26 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.70 0.95 0.13 3.52 2.86 -1.96 -2.70 114.93 117.03 2jpo h MET 131 Ca -0.45 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 2jpo h MET 131 Cb 1.33 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2jpo h MET 131 CO 0.39 0.63 -0.06 -0.44 1.06 0.00 0.00 176.91 178.49 2jpo h ASP 132 N 0.97 -0.15 -0.41 1.22 3.32 -1.98 -2.43 116.42 116.97 2jpo h ASP 132 Ca 0.34 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.47 2jpo h ASP 132 Cb 0.11 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 2jpo h ASP 132 CO -0.11 -0.10 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.18 2jpo h LEU 133 N -0.18 -0.29 -1.05 1.55 3.38 -1.85 0.21 115.31 117.09 2jpo h LEU 133 Ca -0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jpo h LEU 133 Cb 0.14 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2jpo h LEU 133 CO 0.03 -0.10 0.51 0.58 0.09 0.00 0.00 178.44 179.55 2jpo h VAL 134 N 0.04 1.24 0.01 1.22 2.07 -1.30 -2.55 116.25 116.98 2jpo h VAL 134 Ca 0.20 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2jpo h VAL 134 Cb 0.30 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2jpo h VAL 134 CO -0.38 0.25 -0.01 0.40 0.02 0.00 0.00 177.57 177.85 2jpo h ILE 135 N 1.18 1.54 -0.80 4.57 2.04 -0.83 -3.31 117.51 121.90 2jpo h ILE 135 Ca 0.31 -1.84 0.22 0.00 1.00 0.00 0.00 64.86 64.55 2jpo h ILE 135 Cb -0.04 2.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.76 2jpo h ILE 135 CO -0.06 0.46 0.57 1.23 0.00 0.00 0.00 178.15 180.35 2jpo h GLY 136 N -0.83 0.19 0.55 5.37 0.00 -0.54 -2.21 103.07 105.60 2jpo h GLY 136 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2jpo h GLY 136 CO 0.00 0.00 -0.26 0.83 0.00 0.00 0.00 176.54 177.11 2jpo h GLU 137 N 0.09 -0.71 -0.66 4.80 4.39 -1.54 -1.73 114.58 119.23 2jpo h GLU 137 Ca 0.39 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.21 2jpo h GLU 137 Cb 1.41 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 30.16 2jpo h GLU 137 CO -0.04 -0.47 0.33 -0.24 -1.16 0.00 0.00 179.01 177.43 2jpo h VAL 138 N -1.01 0.89 -0.85 3.13 3.04 -1.58 0.37 116.25 120.24 2jpo h VAL 138 Ca -0.07 -0.20 0.10 0.00 -1.01 0.00 0.00 66.70 65.52 2jpo h VAL 138 Cb 0.56 0.25 -0.06 0.00 -2.01 0.00 0.00 31.29 30.03 2jpo h VAL 138 CO 0.12 0.11 0.55 -0.07 -1.01 0.00 0.00 177.57 177.27 2jpo h LEU 139 N 0.59 0.71 -0.07 3.16 4.07 -1.49 0.85 115.31 123.12 2jpo h LEU 139 Ca 0.31 0.02 -0.25 0.00 0.08 0.00 0.00 57.88 58.04 2jpo h LEU 139 Cb 0.28 -0.12 0.01 0.00 1.08 0.00 0.00 40.66 41.91 2jpo h LEU 139 CO -0.23 0.41 -1.01 0.00 -1.08 0.00 0.00 178.44 176.53 2jpo h ALA 140 N 1.58 0.22 0.49 1.53 0.00 -0.21 -3.38 119.26 119.50 2jpo h ALA 140 Ca 0.40 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2jpo h ALA 140 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jpo h ALA 140 CO -0.16 0.74 -0.24 1.49 0.00 0.00 0.00 179.25 181.08 2jpo h GLU 141 N 0.32 -0.64 0.00 0.00 4.22 -0.45 0.20 114.58 118.24 2jpo h GLU 141 Ca -0.11 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.37 2jpo h GLU 141 Cb 1.66 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2jpo h GLU 141 CO 0.19 -0.43 0.00 0.28 -2.18 0.00 0.00 179.01 176.87