#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr5 s TYR 2 N 0.00 3.06 0.00 3.17 2.02 -1.26 -5.05 117.35 119.30 2jr5 s TYR 2 Ca 0.00 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2jr5 s TYR 2 Cb 0.00 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 2jr5 s TYR 2 CO 0.00 -0.23 0.00 0.25 -1.57 0.00 0.00 175.55 174.00 2jr5 n THR 3 N 4.30 0.00 0.18 -0.71 -2.24 -1.26 -4.94 114.28 109.62 2jr5 n THR 3 Ca -0.17 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2jr5 n THR 3 Cb 0.52 -0.45 0.57 0.00 -2.10 0.00 0.00 70.33 68.86 2jr5 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jr5 h ALA 4 N 0.49 1.89 -0.79 6.98 0.00 -1.98 -0.93 119.26 124.91 2jr5 h ALA 4 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jr5 h ALA 4 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2jr5 h ALA 4 CO 0.00 0.10 0.51 1.49 0.00 0.00 0.00 179.25 181.35 2jr5 h GLU 5 N 0.16 1.04 -0.34 0.00 4.22 -1.99 0.14 114.58 117.81 2jr5 h GLU 5 Ca 0.04 -0.07 -0.14 0.00 0.08 0.00 0.00 59.36 59.27 2jr5 h GLU 5 Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2jr5 h GLU 5 CO -0.01 0.70 -0.35 1.96 -2.18 0.00 0.00 179.01 179.14 2jr5 h GLN 6 N 1.07 0.78 -0.40 1.92 7.50 -1.59 -2.68 115.11 121.71 2jr5 h GLN 6 Ca 0.29 -0.38 -0.02 0.00 0.50 0.00 0.00 58.65 59.04 2jr5 h GLN 6 Cb -0.10 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.41 2jr5 h GLN 6 CO -0.06 1.01 0.18 0.87 -1.50 0.00 0.00 178.83 179.33 2jr5 h LYS 7 N 0.65 0.56 -0.70 1.46 1.57 -0.55 -2.22 116.57 117.33 2jr5 h LYS 7 Ca 0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2jr5 h LYS 7 Cb 0.90 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 2jr5 h LYS 7 CO 0.08 0.44 0.32 0.00 -0.57 0.00 0.00 179.45 179.72 2jr5 h ALA 8 N 1.64 0.90 -0.52 3.86 0.00 -0.41 0.52 119.26 125.25 2jr5 h ALA 8 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jr5 h ALA 8 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2jr5 h ALA 8 CO -0.02 0.48 0.20 0.00 0.00 0.00 0.00 179.25 179.91 2jr5 h ARG 9 N 0.98 0.75 -0.24 0.00 3.08 -1.24 -1.93 114.38 115.78 2jr5 h ARG 9 Ca 0.24 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2jr5 h ARG 9 Cb 0.15 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2jr5 h ARG 9 CO -0.03 0.63 -0.37 0.82 -1.07 0.00 0.00 179.97 179.95 2jr5 h ILE 10 N 0.74 1.31 -0.96 2.04 2.04 -0.94 -3.28 117.51 118.47 2jr5 h ILE 10 Ca 0.18 -1.57 0.17 0.00 1.00 0.00 0.00 64.86 64.64 2jr5 h ILE 10 Cb 0.16 1.74 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 2jr5 h ILE 10 CO -0.02 0.49 0.61 0.50 0.00 0.00 0.00 178.15 179.74 2jr5 h LYS 11 N 0.38 0.70 0.00 2.37 1.63 0.81 0.83 116.57 123.29 2jr5 h LYS 11 Ca 0.02 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 2jr5 h LYS 11 Cb 0.96 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.42 2jr5 h LYS 11 CO 0.08 0.46 -0.51 -1.49 -3.45 0.00 0.00 179.45 174.55 2jr5 h TRP 12 N 0.72 0.00 -0.03 1.91 4.06 -1.53 -3.32 115.95 117.75 2jr5 h TRP 12 Ca 0.52 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.47 2jr5 h TRP 12 Cb 0.85 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 2jr5 h TRP 12 CO -0.00 0.51 0.00 0.00 -3.56 0.00 0.00 178.44 175.39 2jr5 n ALA 13 N -2.37 2.35 0.20 1.49 0.00 0.12 -4.64 120.51 117.65 2jr5 n ALA 13 Ca -0.01 -0.69 0.06 0.00 0.00 0.00 0.00 53.44 52.80 2jr5 n ALA 13 Cb 0.56 -0.10 0.40 0.00 0.00 0.00 0.00 19.45 20.31 2jr5 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jr5 n ARG 15 N -3.67 1.05 0.00 0.00 1.85 -1.26 -4.57 116.66 110.05 2jr5 n ARG 15 Ca -0.01 -0.53 0.00 0.00 -1.00 0.00 0.00 57.85 56.32 2jr5 n ARG 15 Cb 0.45 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 2jr5 n ARG 15 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2jr5 n ARG 16 N -0.52 0.00 -0.33 2.89 3.00 -0.42 -1.16 116.66 120.12 2jr5 n ARG 16 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2jr5 n ARG 16 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.78 2jr5 n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jr5 n GLY 17 N 0.00 0.92 2.73 5.14 0.00 -1.26 -4.93 105.19 107.78 2jr5 n GLY 17 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2jr5 n GLY 17 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jr5 s MET 18 N 0.00 0.39 0.52 1.61 0.00 -0.31 -5.01 119.30 116.50 2jr5 s MET 18 Ca 0.00 0.10 0.29 0.00 0.00 0.00 0.00 55.69 56.09 2jr5 s MET 18 Cb 0.00 -1.05 1.40 0.00 0.00 0.00 0.00 34.83 35.18 2jr5 s MET 18 CO 0.00 -0.38 2.03 -0.07 0.00 0.00 0.00 175.02 176.60 2jr5 h LEU 19 N 8.36 0.00 -1.75 4.11 4.07 -2.00 -1.36 115.31 126.74 2jr5 h LEU 19 Ca -0.17 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 2jr5 h LEU 19 Cb 1.13 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 2jr5 h LEU 19 CO 0.24 0.11 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.25 2jr5 h GLU 20 N 0.00 0.00 0.00 1.13 5.08 -1.95 -3.03 114.58 115.81 2jr5 h GLU 20 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jr5 h GLU 20 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jr5 h GLU 20 CO 0.01 0.13 -1.73 1.28 -1.00 0.00 0.00 179.01 177.71 2jr5 n LEU 21 N -3.54 0.25 -0.23 1.33 4.77 -0.52 -4.34 117.00 114.72 2jr5 n LEU 21 Ca -0.01 -0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 2jr5 n LEU 21 Cb 0.28 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.47 2jr5 n LEU 21 CO 0.30 0.03 1.06 -0.78 -1.33 0.00 0.00 177.39 176.67 2jr5 h ASP 22 N 0.00 0.46 1.24 -1.43 1.82 -1.39 -0.69 116.42 116.42 2jr5 h ASP 22 Ca 0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2jr5 h ASP 22 Cb 0.91 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.88 2jr5 h ASP 22 CO 0.00 0.28 0.00 1.33 -1.61 0.00 0.00 179.24 179.24 2jr5 n VAL 23 N -4.85 0.68 -0.02 2.25 0.24 -1.26 -1.93 118.33 113.45 2jr5 n VAL 23 Ca 0.09 -0.12 0.08 0.00 -2.04 0.00 0.00 64.34 62.35 2jr5 n VAL 23 Cb 0.22 -0.79 -0.15 0.00 -1.47 0.00 0.00 33.84 31.65 2jr5 n VAL 23 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2jr5 n VAL 24 N -2.29 0.15 -0.07 3.34 3.14 -0.79 -4.45 118.33 117.36 2jr5 n VAL 24 Ca 0.04 -0.49 -0.06 0.00 -2.96 0.00 0.00 64.34 60.87 2jr5 n VAL 24 Cb 0.37 -0.02 -0.02 0.00 -1.06 0.00 0.00 33.84 33.11 2jr5 n VAL 24 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2jr5 n ILE 25 N -2.24 1.32 0.12 1.55 5.41 -0.33 -4.42 119.36 120.77 2jr5 n ILE 25 Ca -0.07 0.21 -0.13 0.00 1.00 0.00 0.00 62.75 63.76 2jr5 n ILE 25 Cb 0.58 -2.30 -0.08 0.00 -0.71 0.00 0.00 39.64 37.14 2jr5 n ILE 25 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2jr5 h MET 26 N -0.91 -0.29 -0.81 0.38 4.05 -1.61 0.23 114.93 115.97 2jr5 h MET 26 Ca 0.00 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.50 2jr5 h MET 26 Cb 0.66 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.47 2jr5 h MET 26 CO 0.00 0.02 0.49 -1.35 0.23 0.00 0.00 176.91 176.30 2jr5 h PRO 27 N -0.62 0.88 -0.29 0.39 0.11 -1.78 0.15 132.00 130.84 2jr5 h PRO 27 Ca -0.03 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.90 2jr5 h PRO 27 Cb 0.45 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2jr5 h PRO 27 CO 0.05 0.58 -0.36 0.74 -0.21 0.00 0.00 178.00 178.80 2jr5 h PHE 28 N 0.90 0.76 -0.52 0.65 -1.00 -1.76 -2.25 116.94 113.72 2jr5 h PHE 28 Ca 0.35 -0.21 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 2jr5 h PHE 28 Cb 0.16 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 2jr5 h PHE 28 CO -0.04 0.91 0.22 0.35 -1.61 0.00 0.00 178.31 178.15 2jr5 h PHE 29 N 0.54 0.78 -0.36 -0.55 3.57 0.12 -0.77 116.94 120.28 2jr5 h PHE 29 Ca 0.05 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2jr5 h PHE 29 Cb 0.87 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2jr5 h PHE 29 CO 0.04 0.64 0.03 0.93 -2.23 0.00 0.00 178.31 177.71 2jr5 h GLU 30 N 0.71 0.54 0.10 1.11 5.08 -0.56 0.73 114.58 122.29 2jr5 h GLU 30 Ca 0.18 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2jr5 h GLU 30 Cb 0.17 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2jr5 h GLU 30 CO -0.02 0.55 -0.05 0.93 -1.00 0.00 0.00 179.01 179.42 2jr5 h GLU 31 N 0.52 -0.13 0.00 2.33 4.39 -1.12 -3.25 114.58 117.32 2jr5 h GLU 31 Ca 0.12 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 2jr5 h GLU 31 Cb 0.29 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2jr5 h GLU 31 CO 0.01 0.19 -0.30 0.00 -1.16 0.00 0.00 179.01 177.74 2jr5 h PHE 33 N 0.00 0.77 0.00 0.00 3.57 0.45 0.35 116.94 122.08 2jr5 h PHE 33 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2jr5 h PHE 33 Cb 1.02 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2jr5 h PHE 33 CO 0.00 0.31 -0.08 0.22 -2.23 0.00 0.00 178.31 176.53 2jr5 h ASP 34 N 0.68 0.00 0.00 0.41 3.58 -1.67 -3.02 116.42 116.40 2jr5 h ASP 34 Ca 0.41 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.50 2jr5 h ASP 34 Cb 0.63 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.62 2jr5 h ASP 34 CO -0.17 0.08 -2.36 -0.24 -2.88 0.00 0.00 179.24 173.67 2jr5 n SER 35 N -3.36 1.10 -4.75 2.28 2.88 0.37 -5.00 113.62 107.14 2jr5 n SER 35 Ca -0.01 -0.06 -0.34 0.00 -1.33 0.00 0.00 58.87 57.12 2jr5 n SER 35 Cb 0.25 0.34 0.06 0.00 -0.75 0.00 0.00 64.21 64.11 2jr5 n SER 35 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jr5 s LEU 36 N -5.89 3.46 0.48 2.46 1.43 0.97 -5.05 118.68 116.54 2jr5 s LEU 36 Ca -0.20 2.25 0.08 0.00 -1.03 0.00 0.00 54.13 55.22 2jr5 s LEU 36 Cb 0.07 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.73 2jr5 s LEU 36 CO 0.69 -1.83 0.51 0.42 0.23 0.00 0.00 176.35 176.37 2jr5 s THR 37 N -1.96 2.39 0.32 5.49 -4.23 -1.26 -4.92 115.64 111.45 2jr5 s THR 37 Ca 0.73 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2jr5 s THR 37 Cb -0.27 -2.62 0.24 0.00 1.34 0.00 0.00 72.50 71.20 2jr5 s THR 37 CO 0.39 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 176.10 2jr5 h GLU 38 N 0.70 0.94 -0.89 3.99 5.08 -1.97 0.18 114.58 122.61 2jr5 h GLU 38 Ca -0.37 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 57.96 2jr5 h GLU 38 Cb 1.28 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 2jr5 h GLU 38 CO 0.51 0.66 0.56 0.77 -1.00 0.00 0.00 179.01 180.52 2jr5 h SER 39 N 0.96 0.90 -0.09 1.42 0.02 -1.99 0.32 113.55 115.09 2jr5 h SER 39 Ca 0.25 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 2jr5 h SER 39 Cb -0.04 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 2jr5 h SER 39 CO -0.05 0.59 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.80 2jr5 h GLU 40 N 1.04 0.23 -0.65 3.45 4.39 -1.60 -3.10 114.58 118.34 2jr5 h GLU 40 Ca 0.38 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.99 2jr5 h GLU 40 Cb 0.13 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 2jr5 h GLU 40 CO -0.16 0.66 0.39 1.96 -1.16 0.00 0.00 179.01 180.71 2jr5 h GLN 41 N -0.18 0.74 -0.51 2.33 4.20 -0.22 -1.49 115.11 119.97 2jr5 h GLN 41 Ca 0.01 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 2jr5 h GLN 41 Cb 0.62 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2jr5 h GLN 41 CO 0.02 0.49 -0.09 0.22 -0.67 0.00 0.00 178.83 178.80 2jr5 h ASP 42 N 0.76 0.97 -0.48 1.46 3.58 -0.43 0.18 116.42 122.46 2jr5 h ASP 42 Ca 0.27 -0.35 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 2jr5 h ASP 42 Cb 0.06 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2jr5 h ASP 42 CO -0.12 1.09 -0.02 -0.78 -2.88 0.00 0.00 179.24 176.53 2jr5 h ASP 43 N 0.83 0.84 -0.37 2.28 1.82 -1.44 -1.60 116.42 118.79 2jr5 h ASP 43 Ca 0.13 -0.32 -0.10 0.00 -0.39 0.00 0.00 57.03 56.36 2jr5 h ASP 43 Cb 0.65 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 2jr5 h ASP 43 CO 0.04 0.96 -0.16 0.15 -1.61 0.00 0.00 179.24 178.62 2jr5 h PHE 44 N 0.71 0.87 -0.86 0.28 3.57 -0.95 -2.30 116.94 118.25 2jr5 h PHE 44 Ca 0.13 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 2jr5 h PHE 44 Cb 0.54 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 2jr5 h PHE 44 CO 0.04 0.94 0.46 0.28 -2.23 0.00 0.00 178.31 177.80 2jr5 h VAL 45 N 0.56 1.26 -0.65 1.41 2.07 -0.59 -1.39 116.25 118.90 2jr5 h VAL 45 Ca 0.08 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.00 2jr5 h VAL 45 Cb 0.70 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2jr5 h VAL 45 CO 0.05 0.29 0.43 0.00 0.02 0.00 0.00 177.57 178.37 2jr5 h ALA 46 N 1.25 1.75 -0.26 1.67 0.00 -1.08 -1.55 119.26 121.03 2jr5 h ALA 46 Ca 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2jr5 h ALA 46 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jr5 h ALA 46 CO -0.05 0.15 -0.02 1.25 0.00 0.00 0.00 179.25 180.59 2jr5 h LEU 47 N 0.67 0.47 -1.80 0.00 6.46 -0.71 -3.01 115.31 117.39 2jr5 h LEU 47 Ca 0.28 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 2jr5 h LEU 47 Cb 0.25 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2jr5 h LEU 47 CO -0.09 0.68 -0.14 -0.07 -0.62 0.00 0.00 178.44 178.21 2jr5 h LEU 48 N 0.25 0.00 -0.82 2.25 3.38 -0.48 0.74 115.31 120.63 2jr5 h LEU 48 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2jr5 h LEU 48 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jr5 h LEU 48 CO 0.02 0.14 -0.10 -0.33 0.09 0.00 0.00 178.44 178.26 2jr5 h GLU 49 N 0.00 0.00 -6.55 1.13 5.08 -1.28 -3.45 114.58 109.51 2jr5 h GLU 49 Ca -0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 2jr5 h GLU 49 Cb 0.27 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.54 2jr5 h GLU 49 CO 0.02 0.10 -0.17 -1.12 -1.00 0.00 0.00 179.01 176.84 2jr5 s SER 50 N -6.03 5.36 0.71 1.42 0.01 0.25 -5.10 113.70 110.32 2jr5 s SER 50 Ca 0.03 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.53 2jr5 s SER 50 Cb 0.08 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.16 2jr5 s SER 50 CO 0.62 -1.07 1.08 -1.81 0.41 0.00 0.00 173.24 172.47 2jr5 s ASP 51 N -4.52 5.04 -0.50 2.44 1.11 -1.26 -4.93 116.67 114.05 2jr5 s ASP 51 Ca 0.59 1.79 0.05 0.00 0.18 0.00 0.00 52.55 55.16 2jr5 s ASP 51 Cb -0.08 -2.52 0.40 0.00 1.07 0.00 0.00 42.92 41.79 2jr5 s ASP 51 CO 0.36 -1.68 1.11 -0.90 1.18 0.00 0.00 175.17 175.25 2jr5 n ASP 52 N -3.02 4.80 0.08 0.27 5.75 -1.26 -4.74 116.55 118.43 2jr5 n ASP 52 Ca 0.09 -3.72 -0.13 0.00 -0.01 0.00 0.00 54.79 51.02 2jr5 n ASP 52 Cb 0.53 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 2jr5 n ASP 52 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 2jr5 h PRO 53 N 2.71 0.35 -0.36 0.11 0.11 -1.99 -2.75 132.00 130.18 2jr5 h PRO 53 Ca 0.27 -0.42 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 2jr5 h PRO 53 Cb 0.78 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 2jr5 h PRO 53 CO 0.87 1.11 -0.01 -0.44 -0.21 0.00 0.00 178.00 179.33 2jr5 h ASP 54 N 0.17 0.63 -0.07 -2.05 5.19 -1.94 -0.85 116.42 117.51 2jr5 h ASP 54 Ca -0.09 -0.31 0.01 0.00 -0.62 0.00 0.00 57.03 56.02 2jr5 h ASP 54 Cb 1.67 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 2jr5 h ASP 54 CO 0.17 0.79 0.00 0.25 -3.12 0.00 0.00 179.24 177.33 2jr5 h LEU 55 N 0.45 -0.02 -0.73 1.55 6.46 -1.90 0.97 115.31 122.09 2jr5 h LEU 55 Ca 0.10 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 2jr5 h LEU 55 Cb 0.47 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 2jr5 h LEU 55 CO 0.02 -0.00 0.33 0.15 -0.62 0.00 0.00 178.44 178.32 2jr5 h PHE 56 N 0.02 1.07 -0.50 1.25 3.57 -1.47 -2.60 116.94 118.29 2jr5 h PHE 56 Ca 0.03 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 2jr5 h PHE 56 Cb 0.03 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2jr5 h PHE 56 CO -0.11 0.80 -0.07 0.00 -2.23 0.00 0.00 178.31 176.69 2jr5 h ALA 57 N 1.16 0.94 -0.19 2.41 0.00 -0.60 -2.26 119.26 120.71 2jr5 h ALA 57 Ca 0.25 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2jr5 h ALA 57 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jr5 h ALA 57 CO -0.03 0.63 -0.52 -1.49 0.00 0.00 0.00 179.25 177.84 2jr5 h TRP 58 N 0.81 0.66 -0.45 0.00 4.06 -0.66 0.31 115.95 120.67 2jr5 h TRP 58 Ca 0.14 -0.23 -0.05 0.00 2.06 0.00 0.00 58.89 60.81 2jr5 h TRP 58 Cb 0.58 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 2jr5 h TRP 58 CO 0.03 0.94 0.07 0.28 -3.56 0.00 0.00 178.44 176.21 2jr5 h VAL 59 N 0.42 1.25 0.00 1.49 2.07 -1.28 -2.46 116.25 117.73 2jr5 h VAL 59 Ca 0.01 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2jr5 h VAL 59 Cb 1.05 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2jr5 h VAL 59 CO 0.10 0.32 0.00 -0.03 0.02 0.00 0.00 177.57 177.97 2jr5 h MET 60 N 0.61 0.00 -1.02 1.57 1.85 -1.34 -3.47 114.93 113.12 2jr5 h MET 60 Ca 0.14 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.21 2jr5 h MET 60 Cb 0.38 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.42 2jr5 h MET 60 CO 0.01 0.00 -0.02 0.41 -0.40 0.00 0.00 176.91 176.91 2jr5 n GLY 61 N 1.15 0.83 0.00 1.39 0.00 0.31 -4.96 105.19 103.90 2jr5 n GLY 61 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2jr5 n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jr5 n HIS 62 N -2.78 0.00 -4.33 1.61 8.25 0.83 -5.01 115.22 113.79 2jr5 n HIS 62 Ca -0.00 -0.08 -0.19 0.00 -0.26 0.00 0.00 57.72 57.19 2jr5 n HIS 62 Cb 0.50 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.50 2jr5 n HIS 62 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2jr5 s GLY 63 N -0.16 1.37 0.02 -1.41 0.00 -0.95 -4.95 107.32 101.24 2jr5 s GLY 63 Ca 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 44.72 43.17 2jr5 s GLY 63 CO 0.00 -1.67 -0.12 0.50 0.00 0.00 0.00 173.10 171.80 2jr5 s ARG 64 N -3.41 0.89 0.22 2.90 3.00 -1.26 -4.54 118.95 116.75 2jr5 s ARG 64 Ca 0.20 -0.58 0.08 0.00 0.00 0.00 0.00 55.73 55.43 2jr5 s ARG 64 Cb -0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 34.95 34.02 2jr5 s ARG 64 CO 0.06 0.22 0.01 0.00 0.00 0.00 0.00 175.30 175.59 2jr5 h GLU 66 N 2.28 0.61 -4.59 0.00 4.39 -2.03 -3.40 114.58 111.85 2jr5 h GLU 66 Ca -0.46 -0.51 -0.71 0.00 0.34 0.00 0.00 59.36 58.02 2jr5 h GLU 66 Cb 1.23 0.11 -0.24 0.00 -0.10 0.00 0.00 28.75 29.74 2jr5 h GLU 66 CO 0.59 1.13 -0.51 1.21 -1.16 0.00 0.00 179.01 180.27 2jr5 s ASN 67 N -7.06 5.75 0.03 1.42 2.47 -1.26 -4.93 114.94 111.35 2jr5 s ASN 67 Ca -0.08 -0.99 0.22 0.00 0.42 0.00 0.00 52.86 52.43 2jr5 s ASN 67 Cb 0.09 -2.03 0.91 0.00 -1.45 0.00 0.00 41.25 38.77 2jr5 s ASN 67 CO 0.88 -0.39 1.69 0.18 -3.72 0.00 0.00 177.10 175.74 2jr5 n LEU 68 N 5.00 0.08 -0.28 3.21 4.77 -1.26 -2.19 117.00 126.33 2jr5 n LEU 68 Ca -0.12 0.51 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 2jr5 n LEU 68 Cb 0.46 -0.50 0.18 0.00 -2.33 0.00 0.00 43.42 41.23 2jr5 n LEU 68 CO 0.37 -0.16 1.24 1.23 -1.33 0.00 0.00 177.39 178.74 2jr5 h GLY 69 N 3.64 1.21 1.74 -0.72 0.00 -1.97 -1.43 103.07 105.54 2jr5 h GLY 69 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 2jr5 h GLY 69 CO 0.00 0.46 -0.38 1.41 0.00 0.00 0.00 176.54 178.04 2jr5 h LEU 70 N 1.16 0.30 -1.40 3.11 3.38 -1.84 -2.49 115.31 117.53 2jr5 h LEU 70 Ca 0.31 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2jr5 h LEU 70 Cb -0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2jr5 h LEU 70 CO -0.06 0.66 -0.20 0.00 0.09 0.00 0.00 178.44 178.92 2jr5 h ALA 71 N 1.36 1.12 0.36 1.53 0.00 -1.43 -3.06 119.26 119.15 2jr5 h ALA 71 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jr5 h ALA 71 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jr5 h ALA 71 CO 0.06 0.25 -0.18 0.00 0.00 0.00 0.00 179.25 179.39 2jr5 h ALA 72 N 1.80 -0.49 0.00 0.00 0.00 -0.80 0.11 119.26 119.88 2jr5 h ALA 72 Ca -0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2jr5 h ALA 72 Cb 0.61 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2jr5 h ALA 72 CO 0.03 -0.75 -0.57 0.00 0.00 0.00 0.00 179.25 177.96 2jr5 h MET 73 N -0.55 0.00 -0.57 0.00 -0.00 -1.65 -2.30 114.93 109.86 2jr5 h MET 73 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.57 2jr5 h MET 73 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.99 2jr5 h MET 73 CO 0.08 0.57 0.05 0.28 -0.00 0.00 0.00 176.91 177.89 2jr5 h VAL 74 N 0.00 1.26 -0.32 -0.10 2.07 -1.41 -1.25 116.25 116.50 2jr5 h VAL 74 Ca -0.01 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 2jr5 h VAL 74 Cb 1.11 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2jr5 h VAL 74 CO 0.07 0.38 -0.02 -0.78 0.02 0.00 0.00 177.57 177.24 2jr5 h ASP 75 N 0.86 0.47 -0.25 0.57 1.82 -0.56 0.18 116.42 119.51 2jr5 h ASP 75 Ca 0.17 -0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 56.65 2jr5 h ASP 75 Cb 0.47 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 2jr5 h ASP 75 CO 0.02 0.55 -0.07 0.11 -1.61 0.00 0.00 179.24 178.25 2jr5 h LYS 76 N 0.47 0.62 -0.61 0.28 1.57 -1.02 0.57 116.57 118.45 2jr5 h LYS 76 Ca 0.10 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2jr5 h LYS 76 Cb 0.35 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2jr5 h LYS 76 CO 0.01 0.69 0.02 0.82 -0.57 0.00 0.00 179.45 180.42 2jr5 h ILE 77 N 0.58 1.27 -0.48 1.86 2.04 -0.09 -2.46 117.51 120.22 2jr5 h ILE 77 Ca 0.11 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 2jr5 h ILE 77 Cb 0.47 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2jr5 h ILE 77 CO 0.02 0.41 0.24 0.58 0.00 0.00 0.00 178.15 179.41 2jr5 h VAL 78 N 0.97 1.16 -0.56 1.67 2.07 -0.31 -0.43 116.25 120.83 2jr5 h VAL 78 Ca 0.18 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2jr5 h VAL 78 Cb 0.53 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2jr5 h VAL 78 CO 0.03 0.18 0.25 0.00 0.02 0.00 0.00 177.57 178.05 2jr5 h ALA 79 N 1.60 1.39 -0.27 1.67 0.00 -0.46 0.46 119.26 123.65 2jr5 h ALA 79 Ca 0.17 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2jr5 h ALA 79 Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2jr5 h ALA 79 CO -0.03 0.47 -0.51 1.25 0.00 0.00 0.00 179.25 180.44 2jr5 h HIS 80 N 0.79 1.03 -0.75 0.00 6.17 -0.94 -3.07 115.15 118.38 2jr5 h HIS 80 Ca 0.19 -0.37 -0.03 0.00 0.71 0.00 0.00 60.37 60.87 2jr5 h HIS 80 Cb 0.11 -0.19 -0.04 0.00 2.52 0.00 0.00 27.41 29.81 2jr5 h HIS 80 CO 0.01 1.19 0.35 -0.97 0.71 0.00 0.00 177.93 179.22 2jr5 h ASN 81 N 0.59 0.98 -0.85 3.26 -0.73 -0.43 -2.27 115.58 116.14 2jr5 h ASN 81 Ca 0.01 -0.12 0.13 0.00 1.87 0.00 0.00 56.30 58.20 2jr5 h ASN 81 Cb 1.12 -0.25 -0.06 0.00 0.27 0.00 0.00 38.32 39.39 2jr5 h ASN 81 CO 0.11 0.84 0.55 0.25 -0.37 0.00 0.00 177.43 178.81 2jr5 h LEU 82 N 1.07 0.62 -0.28 0.34 5.85 -0.01 0.17 115.31 123.07 2jr5 h LEU 82 Ca 0.26 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.84 2jr5 h LEU 82 Cb 0.12 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jr5 h LEU 82 CO -0.03 0.33 -0.49 -1.28 -0.34 0.00 0.00 178.44 176.62 2jr5 h SER 83 N 0.66 0.93 0.65 1.25 0.87 -1.35 -0.58 113.55 115.97 2jr5 h SER 83 Ca 0.41 -0.53 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 2jr5 h SER 83 Cb 0.67 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2jr5 h SER 83 CO -0.17 1.28 -0.37 0.07 -0.53 0.00 0.00 176.83 177.11 2jr5 h LYS 84 N 0.61 0.00 0.29 2.24 2.10 -1.19 -1.78 116.57 118.85 2jr5 h LYS 84 Ca 0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 2jr5 h LYS 84 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2jr5 h LYS 84 CO 0.11 0.37 -0.14 0.28 -2.00 0.00 0.00 179.45 178.07 2jr5 h VAL 85 N 0.00 0.73 0.00 0.07 2.07 -0.70 0.32 116.25 118.75 2jr5 h VAL 85 Ca -0.00 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2jr5 h VAL 85 Cb 0.79 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2jr5 h VAL 85 CO 0.05 0.11 -0.02 0.08 0.02 0.00 0.00 177.57 177.80 2jr5 h ARG 86 N -0.69 0.00 0.00 1.57 0.11 -1.01 0.31 114.38 114.67 2jr5 h ARG 86 Ca -0.04 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 2jr5 h ARG 86 Cb 0.48 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2jr5 h ARG 86 CO 0.07 0.02 -0.34 1.25 0.10 0.00 0.00 179.97 181.07 2jr5 h LEU 87 N 0.00 0.00 -0.13 0.08 5.85 -1.15 -3.40 115.31 116.56 2jr5 h LEU 87 Ca -0.00 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 2jr5 h LEU 87 Cb 0.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2jr5 h LEU 87 CO 0.00 0.84 -0.34 -0.33 -0.34 0.00 0.00 178.44 178.27 2jr5 h GLU 88 N -1.00 0.00 -3.74 1.25 5.08 -0.15 -3.34 114.58 112.67 2jr5 h GLU 88 Ca -0.06 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.57 2jr5 h GLU 88 Cb 0.57 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2jr5 h GLU 88 CO -0.04 0.34 2.67 1.58 -1.00 0.00 0.00 179.01 182.57 2jr5 n HIS 89 N -3.21 3.24 -2.52 4.33 -0.00 0.11 -4.93 115.22 112.24 2jr5 n HIS 89 Ca 0.02 -2.90 -0.42 0.00 0.46 0.00 0.00 57.72 54.89 2jr5 n HIS 89 Cb 0.65 -2.29 -0.03 0.00 -0.12 0.00 0.00 29.99 28.21 2jr5 n HIS 89 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jr5 s HIS 90 N 1.91 2.41 -0.27 1.57 -3.43 -1.26 -4.85 115.29 111.38 2jr5 s HIS 90 Ca 0.44 0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 54.97 2jr5 s HIS 90 Cb 0.12 -4.52 0.13 0.00 -1.43 0.00 0.00 32.58 26.88 2jr5 s HIS 90 CO -0.05 -1.84 0.28 -1.58 -2.00 0.00 0.00 174.74 169.55 2jr5 s HIS 91 N 5.53 -0.41 -0.01 0.38 2.46 -1.26 -5.13 115.29 116.85 2jr5 s HIS 91 Ca 0.43 -0.06 -0.28 0.00 0.47 0.00 0.00 55.06 55.61 2jr5 s HIS 91 Cb -0.08 -0.43 0.10 0.00 -0.13 0.00 0.00 32.58 32.03 2jr5 s HIS 91 CO 0.22 -0.84 0.85 -3.38 -2.47 0.00 0.00 174.74 169.11 2jr5 s HIS 92 N 2.35 -0.40 -0.31 3.88 -3.43 -1.26 -5.11 115.29 111.01 2jr5 s HIS 92 Ca 0.09 0.37 -0.28 0.00 -0.80 0.00 0.00 55.06 54.44 2jr5 s HIS 92 Cb -0.14 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.48 2jr5 s HIS 92 CO -0.28 -0.56 2.08 -3.38 -2.00 0.00 0.00 174.74 170.60 2jr5 s HIS 93 N -2.74 1.40 0.00 0.38 -3.43 -1.26 -5.33 115.29 104.31 2jr5 s HIS 93 Ca 0.02 0.71 0.00 0.00 -0.80 0.00 0.00 55.06 54.99 2jr5 s HIS 93 Cb -0.01 -3.96 0.00 0.00 -1.43 0.00 0.00 32.58 27.18 2jr5 s HIS 93 CO -0.06 -3.41 0.00 1.58 -2.00 0.00 0.00 174.74 170.85