#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 4.23 0.00 4.33 0.04 -1.26 -4.97 135.00 137.37 2jpo s PRO 2 Ca 0.00 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2jpo s PRO 2 Cb 0.00 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2jpo s PRO 2 CO 0.00 -0.68 0.58 -0.85 0.04 0.00 0.00 177.00 176.08 2jpo n GLU 3 N 5.62 0.00 -2.72 4.56 0.00 -1.26 -4.65 120.64 122.19 2jpo n GLU 3 Ca 0.15 0.14 -0.06 0.00 0.00 0.00 0.00 57.16 57.39 2jpo n GLU 3 Cb 0.42 -1.09 0.04 0.00 0.00 0.00 0.00 31.44 30.81 2jpo n GLU 3 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2jpo n ILE 4 N -0.93 1.07 -3.81 3.84 -5.35 -1.26 -5.09 119.36 107.83 2jpo n ILE 4 Ca 0.00 -2.99 -0.13 0.00 -0.27 0.00 0.00 62.75 59.36 2jpo n ILE 4 Cb 0.00 0.88 -0.15 0.00 -1.74 0.00 0.00 39.64 38.63 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 -3.30 0.01 -0.19 6.28 0.23 -1.26 -4.94 119.30 116.13 2jpo s MET 5 Ca 0.27 0.14 -0.17 0.00 -1.03 0.00 0.00 55.69 54.90 2jpo s MET 5 Cb 0.41 -0.11 0.03 0.00 -1.53 0.00 0.00 34.83 33.63 2jpo s MET 5 CO 0.01 -0.09 0.28 1.63 -2.03 0.00 0.00 175.02 174.83 2jpo n LYS 6 N 3.62 -0.87 -4.44 3.16 5.02 -1.26 -4.92 118.16 118.47 2jpo n LYS 6 Ca -0.20 0.78 -0.24 0.00 -2.02 0.00 0.00 58.31 56.63 2jpo n LYS 6 Cb 0.55 -1.07 -0.11 0.00 -0.02 0.00 0.00 35.03 34.39 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 -0.84 3.42 0.00 4.39 2.20 -1.26 -5.02 114.94 117.82 2jpo s ASN 7 Ca 0.16 -0.98 0.23 0.00 -0.94 0.00 0.00 52.86 51.34 2jpo s ASN 7 Cb -0.02 -0.27 1.18 0.00 -2.00 0.00 0.00 41.25 40.15 2jpo s ASN 7 CO 0.37 0.04 1.77 0.00 -2.94 0.00 0.00 177.10 176.34 2jpo n LEU 8 N -0.32 0.00 -0.25 3.54 -0.00 -1.26 -4.26 117.00 114.45 2jpo n LEU 8 Ca -0.08 0.28 -0.00 0.00 -0.00 0.00 0.00 56.01 56.22 2jpo n LEU 8 Cb 0.59 -0.28 0.21 0.00 -0.00 0.00 0.00 43.42 43.93 2jpo n LEU 8 CO 0.35 -0.06 1.25 -1.28 -0.00 0.00 0.00 177.39 177.64 2jpo h SER 9 N 0.00 0.94 0.78 1.45 0.87 -1.95 0.14 113.55 115.78 2jpo h SER 9 Ca 0.00 -0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.31 2jpo h SER 9 Cb 0.22 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2jpo h SER 9 CO 0.00 0.68 -1.02 0.78 -0.53 0.00 0.00 176.83 176.74 2jpo h ASN 10 N 1.10 0.18 -0.25 6.23 2.35 -1.95 -1.44 115.58 121.80 2jpo h ASN 10 Ca 0.30 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 2jpo h ASN 10 Cb -0.11 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2jpo h ASN 10 CO -0.06 1.08 -0.12 0.78 -1.65 0.00 0.00 177.43 177.47 2jpo h ASN 11 N 0.05 0.53 -0.49 5.81 2.35 -1.41 -0.42 115.58 121.99 2jpo h ASN 11 Ca -0.05 -0.41 0.06 0.00 -0.55 0.00 0.00 56.30 55.35 2jpo h ASN 11 Cb 1.73 -0.15 -0.09 0.00 0.05 0.00 0.00 38.32 39.87 2jpo h ASN 11 CO 0.15 0.82 -0.53 0.15 -1.65 0.00 0.00 177.43 176.37 2jpo h PHE 12 N 0.24 -1.61 0.00 1.19 3.04 -0.60 -0.85 116.94 118.35 2jpo h PHE 12 Ca 0.06 0.09 -0.04 0.00 3.98 0.00 0.00 57.97 62.05 2jpo h PHE 12 Cb 0.62 0.77 -0.01 0.00 2.56 0.00 0.00 35.95 39.89 2jpo h PHE 12 CO 0.06 -0.46 -0.18 0.78 -2.02 0.00 0.00 178.31 176.49 2jpo h GLY 13 N -0.33 0.00 0.89 2.40 0.00 -1.13 -2.48 103.07 102.42 2jpo h GLY 13 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 2jpo h GLY 13 CO -0.64 0.00 0.05 1.70 0.00 0.00 0.00 176.54 177.65 2jpo h LYS 14 N 0.00 0.16 -0.43 4.80 3.64 0.32 0.21 116.57 125.28 2jpo h LYS 14 Ca -0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2jpo h LYS 14 Cb 0.31 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2jpo h LYS 14 CO 0.02 0.24 0.02 0.00 -2.27 0.00 0.00 179.45 177.47 2jpo h ALA 15 N 0.91 0.57 -0.51 5.00 0.00 -1.10 0.83 119.26 124.97 2jpo h ALA 15 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jpo h ALA 15 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2jpo h ALA 15 CO -0.00 0.33 0.27 1.98 0.00 0.00 0.00 179.25 181.83 2jpo h MET 16 N 0.58 0.70 -0.29 0.00 4.05 -1.22 -0.76 114.93 117.98 2jpo h MET 16 Ca 0.12 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2jpo h MET 16 Cb 0.45 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2jpo h MET 16 CO 0.02 0.52 -0.11 0.22 0.23 0.00 0.00 176.91 177.79 2jpo h ASP 17 N 0.70 0.59 -0.72 1.39 3.58 -0.22 0.28 116.42 122.03 2jpo h ASP 17 Ca 0.18 -0.39 0.02 0.00 0.42 0.00 0.00 57.03 57.26 2jpo h ASP 17 Cb 0.03 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 2jpo h ASP 17 CO -0.03 0.85 0.47 1.56 -2.88 0.00 0.00 179.24 179.21 2jpo h GLN 18 N 0.34 0.91 -0.18 0.28 4.20 -0.30 0.18 115.11 120.54 2jpo h GLN 18 Ca 0.07 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 2jpo h GLN 18 Cb 0.61 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2jpo h GLN 18 CO 0.04 0.60 -0.09 0.00 -0.67 0.00 0.00 178.83 178.71 2jpo n LYS 20 N -4.60 0.07 -0.05 0.00 4.81 0.99 -0.82 118.16 118.56 2jpo n LYS 20 Ca -0.05 0.56 -0.06 0.00 -0.87 0.00 0.00 58.31 57.89 2jpo n LYS 20 Cb 0.31 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.63 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 -1.85 1.55 0.19 3.14 2.03 0.02 -2.81 116.55 118.81 2jpo n ASP 21 Ca -0.01 0.25 0.05 0.00 0.52 0.00 0.00 54.79 55.60 2jpo n ASP 21 Cb 0.02 -0.62 0.38 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.68 0.00 0.02 -0.67 5.08 -0.59 -2.85 114.58 114.88 2jpo h GLU 22 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 2jpo h GLU 22 Cb 0.68 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2jpo h GLU 22 CO 0.00 0.37 -1.96 1.28 -1.00 0.00 0.00 179.01 177.70 2jpo n LEU 23 N -3.79 1.05 -1.65 1.33 4.77 0.00 -5.01 117.00 113.70 2jpo n LEU 23 Ca -0.01 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 2jpo n LEU 23 Cb 0.45 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2jpo n LEU 23 CO 0.37 0.52 0.09 -0.24 -1.33 0.00 0.00 177.39 176.80 2jpo n SER 24 N -3.05 -3.64 -4.72 -1.43 2.88 -1.08 -5.01 113.62 97.57 2jpo n SER 24 Ca -0.25 -0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 56.67 2jpo n SER 24 Cb 1.07 -2.19 -0.03 0.00 -0.75 0.00 0.00 64.21 62.31 2jpo n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpo n LEU 25 N -2.18 4.05 -4.81 2.46 4.77 -1.19 -4.96 117.00 115.15 2jpo n LEU 25 Ca 0.00 1.08 -0.31 0.00 -0.03 0.00 0.00 56.01 56.75 2jpo n LEU 25 Cb 0.52 -1.57 0.05 0.00 -2.33 0.00 0.00 43.42 40.09 2jpo n LEU 25 CO 0.24 0.16 0.71 -2.16 -1.33 0.00 0.00 177.39 175.01 2jpo s PRO 26 N 0.79 2.88 0.20 3.23 0.04 -1.26 -4.77 135.00 136.10 2jpo s PRO 26 Ca 0.73 1.03 0.17 0.00 0.04 0.00 0.00 61.00 62.97 2jpo s PRO 26 Cb -0.51 -1.98 0.82 0.00 0.04 0.00 0.00 34.50 32.87 2jpo s PRO 26 CO 0.36 -1.15 1.52 -3.47 0.04 0.00 0.00 177.00 174.30 2jpo n ASP 27 N -3.03 0.41 0.00 6.66 2.03 -1.26 -0.48 116.55 120.87 2jpo n ASP 27 Ca 0.08 0.65 0.00 0.00 0.52 0.00 0.00 54.79 56.04 2jpo n ASP 27 Cb 0.53 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 2jpo n ASP 27 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jpo n SER 28 N -2.01 0.00 -0.29 1.67 2.88 -1.26 -1.45 113.62 113.16 2jpo n SER 28 Ca 0.00 0.97 -0.05 0.00 -1.33 0.00 0.00 58.87 58.46 2jpo n SER 28 Cb 0.09 -0.50 0.07 0.00 -0.75 0.00 0.00 64.21 63.13 2jpo n SER 28 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2jpo h VAL 29 N 0.00 1.26 0.07 2.46 2.07 -1.41 0.23 116.25 120.93 2jpo h VAL 29 Ca 0.00 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2jpo h VAL 29 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2jpo h VAL 29 CO 0.00 0.34 -0.04 0.58 0.02 0.00 0.00 177.57 178.47 2jpo h VAL 30 N 1.16 1.01 -0.33 2.57 2.07 -0.91 0.16 116.25 121.99 2jpo h VAL 30 Ca 0.27 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2jpo h VAL 30 Cb 0.21 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2jpo h VAL 30 CO -0.02 0.07 0.14 0.00 0.02 0.00 0.00 177.57 177.78 2jpo h ALA 31 N 0.69 0.42 -0.59 1.67 0.00 -0.98 -1.78 119.26 118.69 2jpo h ALA 31 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jpo h ALA 31 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jpo h ALA 31 CO 0.02 0.00 0.39 -0.44 0.00 0.00 0.00 179.25 179.22 2jpo h ASP 32 N 0.38 0.65 -0.27 0.00 5.19 -0.81 -0.29 116.42 121.27 2jpo h ASP 32 Ca 0.11 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 2jpo h ASP 32 Cb 0.15 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2jpo h ASP 32 CO -0.01 0.46 -0.15 0.25 -3.12 0.00 0.00 179.24 176.67 2jpo h LEU 33 N 0.76 0.60 -0.80 1.55 6.46 -0.26 -0.67 115.31 122.96 2jpo h LEU 33 Ca 0.23 -0.42 0.09 0.00 -0.12 0.00 0.00 57.88 57.66 2jpo h LEU 33 Cb -0.02 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 39.67 2jpo h LEU 33 CO -0.05 0.89 0.45 1.88 -0.62 0.00 0.00 178.44 180.98 2jpo h TYR 34 N 0.31 0.81 0.00 1.25 -1.99 -0.73 -2.62 116.97 114.00 2jpo h TYR 34 Ca 0.06 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.82 2jpo h TYR 34 Cb 0.67 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.16 2jpo h TYR 34 CO 0.06 0.33 0.00 -0.91 -0.00 0.00 0.00 178.16 177.64 2jpo h ASN 35 N 0.75 0.00 0.11 3.88 -0.26 -0.45 -3.34 115.58 116.27 2jpo h ASN 35 Ca 0.38 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.12 2jpo h ASN 35 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 2jpo h ASN 35 CO -0.25 0.00 -0.05 0.15 -1.06 0.00 0.00 177.43 176.22 2jpo h PHE 36 N 0.00 -0.13 -0.20 1.19 3.57 -0.74 -2.16 116.94 118.47 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 0.55 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2jpo h PHE 36 CO 0.00 -0.08 0.00 0.91 -2.23 0.00 0.00 178.31 176.91 2jpo n TRP 37 N -5.15 0.45 0.00 0.41 7.02 -1.25 -3.82 117.44 115.10 2jpo n TRP 37 Ca -0.08 -0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.22 2jpo n TRP 37 Cb 0.08 -0.11 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 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 0.17 0.00 0.00 -0.99 5.02 -0.82 -4.99 118.16 116.55 2jpo n LYS 38 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2jpo n LYS 38 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 2jpo n LYS 38 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jpo n ASP 39 N -0.21 0.00 -0.74 4.39 8.00 -1.20 -4.96 116.55 121.83 2jpo n ASP 39 Ca 0.00 0.17 -0.01 0.00 0.71 0.00 0.00 54.79 55.66 2jpo n ASP 39 Cb 0.00 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jpo n ASP 40 N -0.71 -0.21 -4.58 -2.24 -0.08 -1.26 -5.10 116.55 102.36 2jpo n ASP 40 Ca 0.00 -0.51 -0.38 0.00 -1.51 0.00 0.00 54.79 52.40 2jpo n ASP 40 Cb 0.00 0.07 0.05 0.00 2.34 0.00 0.00 41.12 43.58 2jpo n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jpo n TYR 41 N -0.04 0.44 -4.41 -0.67 9.36 -1.25 -5.00 117.16 115.59 2jpo n TYR 41 Ca -0.05 0.44 -0.31 0.00 3.32 0.00 0.00 57.90 61.29 2jpo n TYR 41 Cb 0.37 -2.09 -0.16 0.00 -0.63 0.00 0.00 39.34 36.82 2jpo n TYR 41 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2jpo s VAL 42 N -1.56 1.82 -0.09 2.97 1.01 -1.26 -4.70 120.40 118.58 2jpo s VAL 42 Ca 0.74 -0.82 -0.33 0.00 0.00 0.00 0.00 61.98 61.57 2jpo s VAL 42 Cb -0.43 -1.64 -0.11 0.00 0.00 0.00 0.00 36.38 34.20 2jpo s VAL 42 CO 0.49 0.50 1.93 0.23 0.00 0.00 0.00 175.10 178.25 2jpo n MET 43 N 4.32 2.20 0.00 2.72 0.00 -1.26 -4.87 117.12 120.23 2jpo n MET 43 Ca -0.19 0.79 0.01 0.00 0.00 0.00 0.00 57.70 58.31 2jpo n MET 43 Cb 0.51 -2.71 -0.00 0.00 0.00 0.00 0.00 33.22 31.02 2jpo n MET 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jpo n THR 44 N 5.44 0.00 -3.11 2.03 -2.24 -1.26 -4.97 114.28 110.17 2jpo n THR 44 Ca 0.24 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 2jpo n THR 44 Cb 0.31 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.72 5.75 0.30 3.42 2.15 -1.26 -5.02 116.67 121.28 2jpo s ASP 45 Ca 0.01 -0.12 0.10 0.00 0.43 0.00 0.00 52.55 52.98 2jpo s ASP 45 Cb 0.01 -1.09 0.45 0.00 -0.30 0.00 0.00 42.92 41.99 2jpo s ASP 45 CO 0.03 -0.69 1.67 0.08 -0.17 0.00 0.00 175.17 176.09 2jpo h ARG 46 N 0.59 0.03 0.00 4.34 -0.00 -1.95 -3.35 114.38 114.03 2jpo h ARG 46 Ca -0.44 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.98 59.51 2jpo h ARG 46 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.24 2jpo h ARG 46 CO 0.52 0.56 -0.08 -0.07 -0.00 0.00 0.00 179.97 180.90 2jpo h LEU 47 N 0.02 0.00 -0.45 0.08 3.38 -1.95 -0.31 115.31 116.08 2jpo h LEU 47 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2jpo h LEU 47 Cb 0.96 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2jpo h LEU 47 CO 0.07 0.08 0.09 0.00 0.09 0.00 0.00 178.44 178.78 2jpo h ALA 48 N 1.92 0.50 -0.06 1.53 0.00 -1.91 0.70 119.26 121.94 2jpo h ALA 48 Ca -0.00 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2jpo h ALA 48 Cb 0.19 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jpo h ALA 48 CO 0.01 -0.31 -0.44 0.78 0.00 0.00 0.00 179.25 179.30 2jpo h GLY 49 N 0.23 0.15 1.21 0.00 0.00 -1.28 -2.67 103.07 100.70 2jpo h GLY 49 Ca 0.22 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 2jpo h GLY 49 CO -0.28 0.13 -0.09 0.00 0.00 0.00 0.00 176.54 176.29 2jpo h ALA 51 N 1.05 -0.05 -0.27 0.00 0.00 -0.75 -1.56 119.26 117.68 2jpo h ALA 51 Ca 0.14 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2jpo h ALA 51 Cb 0.62 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2jpo h ALA 51 CO 0.04 -0.56 -0.02 0.82 0.00 0.00 0.00 179.25 179.53 2jpo h ILE 52 N -0.12 0.78 -0.77 0.00 2.04 -1.26 -0.26 117.51 117.91 2jpo h ILE 52 Ca 0.04 -0.02 0.18 0.00 1.00 0.00 0.00 64.86 66.06 2jpo h ILE 52 Cb 0.17 0.72 -0.13 0.00 -0.74 0.00 0.00 36.82 36.84 2jpo h ILE 52 CO -0.10 0.01 0.06 -1.13 0.00 0.00 0.00 178.15 176.99 2jpo h ASN 53 N 0.05 -0.26 -0.08 1.72 -0.73 -0.62 0.44 115.58 116.10 2jpo h ASN 53 Ca 0.13 0.19 -0.15 0.00 1.87 0.00 0.00 56.30 58.34 2jpo h ASN 53 Cb 0.18 0.32 0.01 0.00 0.27 0.00 0.00 38.32 39.09 2jpo h ASN 53 CO -0.24 -0.16 -0.52 0.00 -0.37 0.00 0.00 177.43 176.14 2jpo h LEU 55 N 0.07 0.65 -0.55 0.00 3.38 -0.15 -1.31 115.31 117.40 2jpo h LEU 55 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jpo h LEU 55 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2jpo h LEU 55 CO 0.11 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.97 2jpo h ALA 56 N 1.60 1.00 -0.32 1.53 0.00 -0.90 -1.28 119.26 120.88 2jpo h ALA 56 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2jpo h ALA 56 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jpo h ALA 56 CO -0.19 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.69 2jpo n THR 57 N -2.58 0.41 -1.98 0.00 5.66 -0.52 -4.43 114.28 110.83 2jpo n THR 57 Ca 0.03 -0.66 -0.04 0.00 -3.05 0.00 0.00 64.05 60.33 2jpo n THR 57 Cb 0.36 0.93 0.11 0.00 -1.55 0.00 0.00 70.33 70.17 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 1.30 1.95 0.11 1.09 5.02 -0.49 -4.80 118.16 122.34 2jpo n LYS 58 Ca 0.18 -3.38 0.08 0.00 -2.02 0.00 0.00 58.31 53.17 2jpo n LYS 58 Cb 0.56 -1.56 0.55 0.00 -0.02 0.00 0.00 35.03 34.56 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 1.50 0.21 0.00 -0.35 -0.00 -1.76 0.24 115.31 115.15 2jpo h LEU 59 Ca 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2jpo h LEU 59 Cb 1.32 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 2jpo h LEU 59 CO 0.26 0.15 0.00 -0.90 -0.00 0.00 0.00 178.44 177.94 2jpo n ASP 60 N -4.50 0.00 0.00 -0.43 5.68 -1.26 -0.76 116.55 115.28 2jpo n ASP 60 Ca 0.01 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 2jpo n ASP 60 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2jpo n ASP 60 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2jpo n VAL 61 N -0.74 0.00 -0.36 2.12 0.31 0.11 -3.95 118.33 115.82 2jpo n VAL 61 Ca 0.11 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.53 2jpo n VAL 61 Cb 0.05 -0.51 0.26 0.00 -0.91 0.00 0.00 33.84 32.74 2jpo n VAL 61 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jpo h VAL 62 N 0.00 0.85 -2.12 2.52 2.07 -0.50 -3.38 116.25 115.70 2jpo h VAL 62 Ca 0.00 -0.32 -0.44 0.00 0.82 0.00 0.00 66.70 66.76 2jpo h VAL 62 Cb 0.94 -0.15 -0.33 0.00 -1.52 0.00 0.00 31.29 30.22 2jpo h VAL 62 CO 0.00 0.17 -0.75 -0.62 0.02 0.00 0.00 177.57 176.39 2jpo s ASP 63 N -5.61 1.56 0.00 0.57 2.15 0.06 -2.75 116.67 112.65 2jpo s ASP 63 Ca -0.12 -1.91 0.19 0.00 0.43 0.00 0.00 52.55 51.14 2jpo s ASP 63 Cb 0.23 0.26 0.95 0.00 -0.30 0.00 0.00 42.92 44.06 2jpo s ASP 63 CO 0.81 -0.25 1.57 -0.81 -0.17 0.00 0.00 175.17 176.31 2jpo n PRO 64 N 3.98 0.28 0.29 4.34 -0.04 -1.25 -2.04 135.00 140.55 2jpo n PRO 64 Ca 0.14 0.11 0.14 0.00 -0.04 0.00 0.00 63.50 63.84 2jpo n PRO 64 Cb 0.44 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.24 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 0.00 0.00 3.54 3.58 -1.93 -3.47 116.42 118.14 2jpo h ASP 65 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jpo h ASP 65 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2jpo h ASP 65 CO 0.00 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 2jpo n GLY 66 N -1.13 1.24 0.09 -0.78 0.00 -0.86 -5.03 105.19 98.73 2jpo n GLY 66 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2jpo n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jpo h ASN 67 N 0.00 0.05 -3.13 1.61 -0.26 -1.91 -3.46 115.58 108.48 2jpo h ASN 67 Ca 0.00 -0.78 -0.54 0.00 -0.56 0.00 0.00 56.30 54.41 2jpo h ASN 67 Cb 0.00 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 2jpo h ASN 67 CO 0.00 1.28 0.64 -0.22 -1.06 0.00 0.00 177.43 178.06 2jpo s LEU 68 N -8.00 4.32 0.00 1.61 2.96 -1.26 -3.91 118.68 114.40 2jpo s LEU 68 Ca -0.23 1.91 -0.05 0.00 -0.22 0.00 0.00 54.13 55.54 2jpo s LEU 68 Cb 0.01 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.16 2jpo s LEU 68 CO 0.66 -0.53 0.38 1.41 -1.32 0.00 0.00 176.35 176.95 2jpo n HIS 69 N 4.64 -1.40 -1.93 5.38 8.25 -0.37 -4.31 115.22 125.47 2jpo n HIS 69 Ca 0.10 -1.31 -0.42 0.00 -0.26 0.00 0.00 57.72 55.83 2jpo n HIS 69 Cb 0.46 0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.99 2jpo n HIS 69 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jpo s HIS 70 N -4.23 3.01 -1.19 4.41 0.09 -1.26 -1.21 115.29 114.90 2jpo s HIS 70 Ca 0.14 0.76 0.00 0.00 -0.00 0.00 0.00 55.06 55.96 2jpo s HIS 70 Cb -0.02 -3.92 0.00 0.00 -0.00 0.00 0.00 32.58 28.64 2jpo s HIS 70 CO 0.10 -3.25 0.00 0.41 -0.00 0.00 0.00 174.74 172.00 2jpo n GLY 71 N 3.09 0.72 2.24 -2.22 0.00 0.58 -4.88 105.19 104.73 2jpo n GLY 71 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.69 -0.00 0.00 1.61 5.15 -0.35 -4.76 115.26 116.21 2jpo n ASN 72 Ca -0.12 -2.62 0.12 0.00 -0.60 0.00 0.00 54.58 51.35 2jpo n ASN 72 Cb 0.44 -0.60 0.70 0.00 -0.53 0.00 0.00 39.78 39.79 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 1.73 2.46 -0.01 5.20 0.00 -1.26 -1.23 120.51 127.40 2jpo n ALA 73 Ca 0.23 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2jpo n ALA 73 Cb 0.52 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.08 -0.92 0.00 1.57 -1.86 0.10 116.57 115.38 2jpo h LYS 74 Ca 0.00 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2jpo h LYS 74 Cb 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 2jpo h LYS 74 CO 0.00 0.42 0.60 0.22 -0.57 0.00 0.00 179.45 180.12 2jpo h ASP 75 N -0.94 0.90 0.32 0.86 3.58 -1.81 -0.60 116.42 118.72 2jpo h ASP 75 Ca -0.01 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2jpo h ASP 75 Cb 0.55 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2jpo h ASP 75 CO 0.01 0.56 -0.16 0.15 -2.88 0.00 0.00 179.24 176.93 2jpo h PHE 76 N 1.01 -0.41 -0.92 0.28 3.57 -1.65 -1.13 116.94 117.69 2jpo h PHE 76 Ca 0.40 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.90 2jpo h PHE 76 Cb 0.25 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 2jpo h PHE 76 CO -0.00 -0.26 0.59 0.00 -2.23 0.00 0.00 178.31 176.42 2jpo h ALA 77 N 0.25 1.16 -0.68 2.41 0.00 -0.09 -1.25 119.26 121.06 2jpo h ALA 77 Ca -0.04 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2jpo h ALA 77 Cb 0.34 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2jpo h ALA 77 CO 0.06 0.58 0.43 0.52 0.00 0.00 0.00 179.25 180.84 2jpo h MET 78 N 1.25 0.82 0.00 0.00 2.86 -0.97 -0.49 114.93 118.39 2jpo h MET 78 Ca 0.33 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2jpo h MET 78 Cb -0.12 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.36 2jpo h MET 78 CO -0.07 0.54 0.00 1.63 1.06 0.00 0.00 176.91 180.07 2jpo n LYS 79 N -4.67 0.77 0.00 1.72 4.76 -0.44 -3.99 118.16 116.30 2jpo n LYS 79 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2jpo n LYS 79 Cb 0.08 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.00 0.00 0.00 2.13 8.25 -0.33 -5.04 115.22 119.23 2jpo n HIS 80 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2jpo n HIS 80 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2jpo n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpo n GLY 81 N 0.11 0.89 3.32 -1.41 0.00 -0.39 -5.00 105.19 102.71 2jpo n GLY 81 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.89 1.88 0.34 4.61 0.00 -0.77 -5.03 121.76 121.90 2jpo s ALA 82 Ca 0.00 -1.78 0.05 0.00 0.00 0.00 0.00 51.96 50.24 2jpo s ALA 82 Cb 0.00 1.19 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 2jpo s ALA 82 CO 0.00 -0.52 0.20 -0.25 0.00 0.00 0.00 175.76 175.18 2jpo n ASP 83 N -0.90 0.25 0.10 0.00 9.92 -1.26 -4.18 116.55 120.47 2jpo n ASP 83 Ca 0.02 -2.99 0.05 0.00 -0.53 0.00 0.00 54.79 51.33 2jpo n ASP 83 Cb 0.65 1.24 0.26 0.00 -0.64 0.00 0.00 41.12 42.63 2jpo n ASP 83 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2jpo n GLU 84 N -0.70 0.06 -0.02 -1.24 2.13 -1.26 -0.23 120.64 119.38 2jpo n GLU 84 Ca 0.01 0.50 -0.00 0.00 0.66 0.00 0.00 57.16 58.33 2jpo n GLU 84 Cb 0.55 -1.87 -0.00 0.00 0.27 0.00 0.00 31.44 30.40 2jpo n GLU 84 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2jpo h THR 85 N 0.00 0.00 -0.77 6.31 2.02 -1.98 -3.30 112.91 115.19 2jpo h THR 85 Ca 0.00 -0.41 0.07 0.00 0.77 0.00 0.00 66.41 66.84 2jpo h THR 85 Cb 0.32 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.66 2jpo h THR 85 CO 0.00 0.00 0.45 0.24 0.37 0.00 0.00 175.52 176.58 2jpo h MET 86 N -0.41 0.78 -0.73 6.66 2.86 -1.31 0.17 114.93 122.95 2jpo h MET 86 Ca 0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2jpo h MET 86 Cb 0.03 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 2jpo h MET 86 CO 0.00 0.52 0.34 0.00 1.06 0.00 0.00 176.91 178.82 2jpo h ALA 87 N 1.39 0.94 -0.25 6.32 0.00 -0.84 -2.42 119.26 124.40 2jpo h ALA 87 Ca 0.35 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2jpo h ALA 87 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jpo h ALA 87 CO -0.19 0.51 -0.51 0.37 0.00 0.00 0.00 179.25 179.43 2jpo h GLN 88 N 1.02 0.70 -0.27 0.00 -0.00 -1.42 -2.31 115.11 112.83 2jpo h GLN 88 Ca 0.25 -0.42 0.06 0.00 -0.00 0.00 0.00 58.65 58.54 2jpo h GLN 88 Cb 0.14 0.04 -0.08 0.00 0.00 0.00 0.00 27.48 27.58 2jpo h GLN 88 CO -0.03 1.04 -0.31 1.96 0.00 0.00 0.00 178.83 181.49 2jpo h GLN 89 N 0.55 -0.30 -0.77 1.69 4.20 -0.34 -0.54 115.11 119.60 2jpo h GLN 89 Ca 0.02 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2jpo h GLN 89 Cb 1.07 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 2jpo h GLN 89 CO 0.10 -0.20 0.48 -0.07 -0.67 0.00 0.00 178.83 178.48 2jpo h LEU 90 N -0.31 0.91 -0.59 1.46 3.38 -1.40 -1.44 115.31 117.33 2jpo h LEU 90 Ca 0.14 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2jpo h LEU 90 Cb 0.53 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 2jpo h LEU 90 CO -0.44 0.69 0.13 1.62 0.09 0.00 0.00 178.44 180.52 2jpo h VAL 91 N 1.05 0.65 0.00 1.22 3.04 -0.76 -1.97 116.25 119.48 2jpo h VAL 91 Ca 0.28 -0.09 -0.06 0.00 -1.01 0.00 0.00 66.70 65.82 2jpo h VAL 91 Cb -0.07 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 2jpo h VAL 91 CO -0.06 0.05 -0.29 -0.78 -1.01 0.00 0.00 177.57 175.49 2jpo h ASP 92 N 0.26 0.00 -0.23 3.17 3.58 -0.16 0.55 116.42 123.59 2jpo h ASP 92 Ca 0.31 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 2jpo h ASP 92 Cb 0.45 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2jpo h ASP 92 CO -0.39 0.29 0.04 0.40 -2.88 0.00 0.00 179.24 176.69 2jpo h ILE 93 N 0.00 1.23 -0.09 2.25 2.04 -0.59 0.14 117.51 122.48 2jpo h ILE 93 Ca -0.00 -0.77 -0.21 0.00 1.00 0.00 0.00 64.86 64.88 2jpo h ILE 93 Cb 0.92 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2jpo h ILE 93 CO 0.04 0.24 -0.78 -0.29 0.00 0.00 0.00 178.15 177.35 2jpo h ILE 94 N 0.19 1.34 -0.69 -0.67 6.09 -0.77 0.94 117.51 123.94 2jpo h ILE 94 Ca 0.07 -2.12 -0.04 0.00 -1.37 0.00 0.00 64.86 61.40 2jpo h ILE 94 Cb 0.33 2.11 -0.03 0.00 0.47 0.00 0.00 36.82 39.70 2jpo h ILE 94 CO 0.00 0.65 0.29 0.45 -3.07 0.00 0.00 178.15 176.47 2jpo h HIS 95 N 0.37 1.04 -0.03 2.19 3.86 -0.95 0.24 115.15 121.86 2jpo h HIS 95 Ca -0.05 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2jpo h HIS 95 Cb 1.39 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 2jpo h HIS 95 CO 0.06 0.80 0.02 0.78 0.86 0.00 0.00 177.93 180.46 2jpo h GLY 96 N 0.98 0.05 1.39 2.45 0.00 -0.35 -2.31 103.07 105.28 2jpo h GLY 96 Ca 0.23 -0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.37 2jpo h GLY 96 CO -0.02 0.02 -0.57 0.00 0.00 0.00 0.00 176.54 175.96 2jpo h GLU 98 N 0.48 0.95 0.04 0.00 4.11 -0.44 -0.49 114.58 119.24 2jpo h GLU 98 Ca 0.00 -0.22 -0.00 0.00 0.07 0.00 0.00 59.36 59.22 2jpo h GLU 98 Cb 1.14 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2jpo h GLU 98 CO 0.11 0.86 -0.02 0.87 0.07 0.00 0.00 179.01 180.90 2jpo h LYS 99 N 0.87 -0.05 0.00 1.06 6.56 -1.35 -3.10 116.57 120.56 2jpo h LYS 99 Ca 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 2jpo h LYS 99 Cb 0.32 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 2jpo h LYS 99 CO -0.00 0.05 0.00 0.43 -2.06 0.00 0.00 179.45 177.87 2jpo n SER 100 N -5.07 0.52 -4.72 0.86 7.64 -0.08 -4.78 113.62 107.99 2jpo n SER 100 Ca -0.08 0.66 -0.43 0.00 1.01 0.00 0.00 58.87 60.04 2jpo n SER 100 Cb 0.08 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 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 -1.73 2.06 -0.91 -0.43 0.00 -0.24 -4.97 120.51 114.30 2jpo n ALA 101 Ca 0.01 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.56 2jpo n ALA 101 Cb 0.15 -2.40 0.21 0.00 0.00 0.00 0.00 19.45 17.41 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 -0.30 -0.12 -1.05 0.00 0.04 -1.26 -4.85 135.00 127.46 2jpo s PRO 102 Ca 0.67 0.67 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 2jpo s PRO 102 Cb -0.55 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2jpo s PRO 102 CO 0.47 -3.14 1.87 -1.25 0.04 0.00 0.00 177.00 174.99 2jpo s PRO 103 N -4.75 2.76 -0.45 0.56 0.04 -1.26 -4.64 135.00 127.26 2jpo s PRO 103 Ca 0.67 -0.85 0.06 0.00 0.04 0.00 0.00 61.00 60.92 2jpo s PRO 103 Cb -0.21 -5.20 0.22 0.00 0.04 0.00 0.00 34.50 29.34 2jpo s PRO 103 CO 0.60 -3.40 0.62 -1.71 0.04 0.00 0.00 177.00 173.15 2jpo n ASN 104 N 13.16 -1.56 -4.56 6.66 5.15 -1.26 -5.09 115.26 127.76 2jpo n ASN 104 Ca 0.42 -2.82 -0.35 0.00 -0.60 0.00 0.00 54.58 51.23 2jpo n ASN 104 Cb 0.47 0.53 -0.04 0.00 -0.53 0.00 0.00 39.78 40.21 2jpo n ASN 104 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2jpo s ASP 105 N -0.57 5.62 0.00 1.20 1.01 -1.26 -3.70 116.67 118.97 2jpo s ASP 105 Ca 0.33 -0.56 -0.01 0.00 0.71 0.00 0.00 52.55 53.01 2jpo s ASP 105 Cb 0.12 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 2jpo s ASP 105 CO -0.15 -2.25 0.02 -0.62 0.21 0.00 0.00 175.17 172.38 2jpo s ASP 106 N 6.75 0.07 -0.02 0.27 -1.08 -1.26 -4.98 116.67 116.43 2jpo s ASP 106 Ca 0.59 -0.16 -0.21 0.00 -0.52 0.00 0.00 52.55 52.25 2jpo s ASP 106 Cb -0.07 0.09 -0.24 0.00 -1.46 0.00 0.00 42.92 41.24 2jpo s ASP 106 CO 0.05 -0.14 1.06 0.07 0.52 0.00 0.00 175.17 176.72 2jpo h LYS 107 N 5.44 0.34 0.17 4.34 2.10 -1.99 0.57 116.57 127.53 2jpo h LYS 107 Ca -0.28 -0.38 -0.25 0.00 -2.00 0.00 0.00 60.65 57.75 2jpo h LYS 107 Cb 1.21 0.11 0.02 0.00 -0.90 0.00 0.00 32.23 32.67 2jpo h LYS 107 CO 0.45 1.07 -1.13 0.00 -2.00 0.00 0.00 179.45 177.84 2jpo h MET 109 N -0.21 0.03 -0.02 0.00 2.86 -1.83 -1.22 114.93 114.53 2jpo h MET 109 Ca -0.21 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2jpo h MET 109 Cb 1.81 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.49 2jpo h MET 109 CO 0.17 0.90 0.01 -0.22 1.06 0.00 0.00 176.91 178.83 2jpo h LYS 110 N 0.01 0.04 -0.17 1.72 3.64 -0.96 -3.15 116.57 117.70 2jpo h LYS 110 Ca -0.10 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2jpo h LYS 110 Cb 1.85 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 2jpo h LYS 110 CO 0.12 0.19 0.12 1.15 -2.27 0.00 0.00 179.45 178.76 2jpo h THR 111 N -0.12 0.92 -0.03 1.00 2.02 -1.63 0.04 112.91 115.11 2jpo h THR 111 Ca 0.01 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jpo h THR 111 Cb 0.16 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2jpo h THR 111 CO -0.00 0.00 0.02 0.40 0.37 0.00 0.00 175.52 176.31 2jpo h ILE 112 N 0.01 1.02 0.04 3.11 2.04 -1.19 0.41 117.51 122.96 2jpo h ILE 112 Ca 0.08 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2jpo h ILE 112 Cb 0.30 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2jpo h ILE 112 CO -0.00 0.02 -0.02 -0.78 0.00 0.00 0.00 178.15 177.36 2jpo h ASP 113 N 0.02 -0.05 -0.80 1.72 3.58 -1.03 -1.11 116.42 118.75 2jpo h ASP 113 Ca 0.01 -0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.49 2jpo h ASP 113 Cb 0.01 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 2jpo h ASP 113 CO -0.00 -0.00 0.48 0.58 -2.88 0.00 0.00 179.24 177.42 2jpo h VAL 114 N -0.09 1.00 -0.25 2.25 2.07 -1.19 0.33 116.25 120.36 2jpo h VAL 114 Ca -0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2jpo h VAL 114 Cb 0.08 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2jpo h VAL 114 CO 0.01 0.16 0.08 0.00 0.02 0.00 0.00 177.57 177.83 2jpo h ALA 115 N 1.40 0.33 -0.03 1.67 0.00 -0.73 -1.04 119.26 120.86 2jpo h ALA 115 Ca 0.36 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 2jpo h ALA 115 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jpo h ALA 115 CO -0.19 -0.03 -0.77 0.00 0.00 0.00 0.00 179.25 178.26 2jpo h MET 116 N 0.24 0.25 -0.90 0.00 -0.00 -0.44 -2.77 114.93 111.31 2jpo h MET 116 Ca 0.08 -0.23 0.03 0.00 -0.00 0.00 0.00 59.70 59.58 2jpo h MET 116 Cb 0.25 0.05 -0.05 0.00 -0.00 0.00 0.00 31.60 31.85 2jpo h MET 116 CO -0.00 0.90 0.59 0.00 -0.00 0.00 0.00 176.91 178.40 2jpo h PHE 118 N 1.14 -0.73 -0.07 0.00 3.04 -0.89 0.13 116.94 119.56 2jpo h PHE 118 Ca 0.35 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.32 2jpo h PHE 118 Cb -0.01 0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 2jpo h PHE 118 CO -0.00 -0.39 0.09 1.57 -2.02 0.00 0.00 178.31 177.55 2jpo h LYS 119 N -0.63 0.00 -0.15 1.11 5.09 -1.55 0.79 116.57 121.22 2jpo h LYS 119 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.68 2jpo h LYS 119 Cb 0.51 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.84 2jpo h LYS 119 CO 0.03 0.00 0.08 0.87 -2.09 0.00 0.00 179.45 178.34 2jpo h LYS 120 N 0.00 0.21 0.00 0.07 1.57 -0.43 -3.01 116.57 114.98 2jpo h LYS 120 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jpo h LYS 120 Cb 0.21 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jpo h LYS 120 CO -0.00 0.24 0.00 0.39 -0.57 0.00 0.00 179.45 179.51 2jpo n GLU 121 N -4.92 0.14 0.29 3.15 -0.58 0.07 -2.86 120.64 115.93 2jpo n GLU 121 Ca -0.04 0.05 0.13 0.00 -0.42 0.00 0.00 57.16 56.88 2jpo n GLU 121 Cb 0.08 -1.50 0.84 0.00 -0.57 0.00 0.00 31.44 30.29 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 0.00 0.61 0.00 -3.67 2.04 -0.86 -1.55 117.51 114.08 2jpo h ILE 122 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jpo h ILE 122 Cb 0.36 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2jpo h ILE 122 CO 0.00 0.03 0.00 1.41 0.00 0.00 0.00 178.15 179.59 2jpo n HIS 123 N -3.92 0.00 -1.00 1.37 8.25 -1.14 -1.90 115.22 116.89 2jpo n HIS 123 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 2jpo n HIS 123 Cb 0.11 -0.35 0.15 0.00 1.12 0.00 0.00 29.99 31.02 2jpo n HIS 123 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2jpo n LYS 124 N -1.35 1.60 -0.06 -0.41 -0.00 -0.58 -4.44 118.16 112.92 2jpo n LYS 124 Ca 0.01 -2.55 -0.19 0.00 -0.00 0.00 0.00 58.31 55.57 2jpo n LYS 124 Cb 0.02 -1.52 -0.13 0.00 -0.00 0.00 0.00 35.03 33.40 2jpo n LYS 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jpo n LEU 125 N -1.25 2.70 0.00 -5.58 4.77 -0.80 -5.01 117.00 111.83 2jpo n LEU 125 Ca 0.16 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2jpo n LEU 125 Cb 0.65 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2jpo n LEU 125 CO 0.03 0.88 0.00 0.59 -1.33 0.00 0.00 177.39 177.56 2jpo n ASN 126 N -3.36 0.00 -5.00 -1.43 5.03 -1.25 -4.99 115.26 104.27 2jpo n ASN 126 Ca -0.38 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 54.89 2jpo n ASN 126 Cb 1.02 -0.04 0.01 0.00 -1.02 0.00 0.00 39.78 39.75 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 -2.75 2.68 -0.31 3.10 1.48 -1.26 -5.12 118.94 116.77 2jpo s TRP 127 Ca 0.00 -0.44 -0.01 0.00 -1.06 0.00 0.00 56.10 54.59 2jpo s TRP 127 Cb 0.00 -2.34 0.06 0.00 -1.16 0.00 0.00 33.47 30.03 2jpo s TRP 127 CO 0.00 -0.45 0.01 0.08 -4.06 0.00 0.00 176.95 172.53 2jpo s VAL 128 N -2.39 2.85 0.76 -0.66 1.01 -1.26 -4.91 120.40 115.79 2jpo s VAL 128 Ca 0.55 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 2jpo s VAL 128 Cb -0.09 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.63 2jpo s VAL 128 CO 0.33 -0.20 1.09 -2.16 0.00 0.00 0.00 175.10 174.16 2jpo s PRO 129 N 1.19 2.34 0.87 2.72 0.04 -1.26 -5.05 135.00 135.85 2jpo s PRO 129 Ca -0.03 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2jpo s PRO 129 Cb -0.20 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.55 2jpo s PRO 129 CO -0.03 -1.58 1.10 -0.80 0.04 0.00 0.00 177.00 175.73 2jpo s ASN 130 N -3.34 3.60 0.35 6.66 0.01 -1.26 -4.79 114.94 116.17 2jpo s ASN 130 Ca 0.62 1.72 0.04 0.00 -0.71 0.00 0.00 52.86 54.53 2jpo s ASN 130 Cb -0.17 -2.37 0.65 0.00 0.41 0.00 0.00 41.25 39.77 2jpo s ASN 130 CO 0.55 -2.60 1.92 0.24 -1.51 0.00 0.00 177.10 175.70 2jpo h MET 131 N -1.52 0.56 0.29 -0.60 2.86 -1.96 -0.26 114.93 114.29 2jpo h MET 131 Ca -0.47 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.06 2jpo h MET 131 Cb 1.27 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 2jpo h MET 131 CO 0.51 0.52 -0.23 0.38 1.06 0.00 0.00 176.91 179.15 2jpo h ASP 132 N 0.55 -0.61 -0.71 1.22 3.04 -1.98 -2.68 116.42 115.25 2jpo h ASP 132 Ca 0.13 0.04 0.16 0.00 -3.24 0.00 0.00 57.03 54.12 2jpo h ASP 132 Cb 0.22 0.19 -0.12 0.00 -1.04 0.00 0.00 39.33 38.58 2jpo h ASP 132 CO -0.00 -0.33 -0.01 -0.07 -2.04 0.00 0.00 179.24 176.79 2jpo h LEU 133 N -0.50 -0.34 -0.02 0.15 4.07 -1.82 0.26 115.31 117.10 2jpo h LEU 133 Ca -0.04 0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2jpo h LEU 133 Cb 0.42 0.33 -0.00 0.00 1.08 0.00 0.00 40.66 42.49 2jpo h LEU 133 CO 0.00 -0.16 0.01 0.58 -1.08 0.00 0.00 178.44 177.79 2jpo h VAL 134 N 0.10 1.14 0.12 1.22 2.07 -1.10 -3.13 116.25 116.68 2jpo h VAL 134 Ca 0.38 -0.41 -0.28 0.00 0.82 0.00 0.00 66.70 67.21 2jpo h VAL 134 Cb 0.64 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2jpo h VAL 134 CO -0.62 0.11 -1.22 0.40 0.02 0.00 0.00 177.57 176.25 2jpo h ILE 135 N -0.14 1.41 -0.81 4.57 2.04 -1.09 -3.25 117.51 120.23 2jpo h ILE 135 Ca 0.01 -2.79 0.14 0.00 1.00 0.00 0.00 64.86 63.22 2jpo h ILE 135 Cb 0.17 2.82 -0.06 0.00 -0.74 0.00 0.00 36.82 39.01 2jpo h ILE 135 CO -0.00 0.82 0.54 1.23 0.00 0.00 0.00 178.15 180.74 2jpo h GLY 136 N 1.08 0.94 0.37 5.37 0.00 -0.56 -2.03 103.07 108.24 2jpo h GLY 136 Ca -0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2jpo h GLY 136 CO 0.21 0.08 -0.01 -2.09 0.00 0.00 0.00 176.54 174.73 2jpo h GLU 137 N 0.55 -0.04 -0.16 4.80 4.57 -1.57 -1.26 114.58 121.47 2jpo h GLU 137 Ca 0.40 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.61 2jpo h GLU 137 Cb 0.77 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 2jpo h GLU 137 CO -0.16 0.56 -0.01 -0.24 -1.18 0.00 0.00 179.01 177.98 2jpo h VAL 138 N -0.67 0.88 -0.63 0.32 3.04 -1.62 -1.93 116.25 115.63 2jpo h VAL 138 Ca -0.00 -0.02 0.13 0.00 -1.01 0.00 0.00 66.70 65.80 2jpo h VAL 138 Cb 0.61 0.83 -0.11 0.00 -2.01 0.00 0.00 31.29 30.61 2jpo h VAL 138 CO 0.01 0.01 -0.08 -0.07 -1.01 0.00 0.00 177.57 176.42 2jpo h LEU 139 N 0.04 -0.44 -1.00 3.16 4.07 -1.42 0.05 115.31 119.77 2jpo h LEU 139 Ca 0.08 0.17 -0.08 0.00 0.08 0.00 0.00 57.88 58.13 2jpo h LEU 139 Cb 0.10 0.34 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2jpo h LEU 139 CO -0.13 -0.17 -0.19 0.00 -1.08 0.00 0.00 178.44 176.87 2jpo h ALA 140 N 1.60 1.16 0.17 1.53 0.00 -0.64 -3.32 119.26 119.77 2jpo h ALA 140 Ca 0.32 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2jpo h ALA 140 Cb 0.51 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jpo h ALA 140 CO -0.60 0.53 -1.66 1.49 0.00 0.00 0.00 179.25 179.01 2jpo h GLU 141 N 0.45 0.37 0.00 0.00 4.57 -0.69 0.17 114.58 119.45 2jpo h GLU 141 Ca 0.07 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 2jpo h GLU 141 Cb 0.59 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2jpo h GLU 141 CO 0.04 1.30 0.00 0.28 -1.18 0.00 0.00 179.01 179.45