#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 2.19 0.95 1.12 2.02 -1.26 -5.05 117.35 117.32 2jr5 s TYR 2 Ca 0.00 -1.06 -0.15 0.00 -0.37 0.00 0.00 57.07 55.49 2jr5 s TYR 2 Cb 0.00 -1.55 0.21 0.00 -0.40 0.00 0.00 41.96 40.22 2jr5 s TYR 2 CO 0.00 -0.52 1.30 0.95 -1.57 0.00 0.00 175.55 175.71 2jr5 s THR 3 N 0.95 2.01 0.18 -0.71 -4.23 -1.26 -4.63 115.64 107.96 2jr5 s THR 3 Ca -0.06 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.25 2jr5 s THR 3 Cb -0.15 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.84 2jr5 s THR 3 CO -0.02 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 175.84 2jr5 h ALA 4 N -1.58 0.68 -0.39 3.99 0.00 -2.00 0.57 119.26 120.53 2jr5 h ALA 4 Ca -0.43 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2jr5 h ALA 4 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jr5 h ALA 4 CO 0.35 -0.09 -0.09 0.93 0.00 0.00 0.00 179.25 180.35 2jr5 h GLU 5 N 0.50 0.75 -0.33 0.00 3.07 -1.99 -2.20 114.58 114.37 2jr5 h GLU 5 Ca 0.24 -0.29 -0.16 0.00 -0.50 0.00 0.00 59.36 58.65 2jr5 h GLU 5 Cb 0.16 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2jr5 h GLU 5 CO -0.17 0.89 -0.42 0.37 -1.40 0.00 0.00 179.01 178.27 2jr5 h GLN 6 N 0.55 0.84 -0.09 2.33 4.15 -1.70 -2.65 115.11 118.55 2jr5 h GLN 6 Ca 0.10 -0.46 -0.10 0.00 0.77 0.00 0.00 58.65 58.96 2jr5 h GLN 6 Cb 0.61 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2jr5 h GLN 6 CO 0.04 1.10 -0.39 1.57 -1.93 0.00 0.00 178.83 179.22 2jr5 h LYS 7 N 0.68 0.19 -0.59 1.69 5.09 0.08 -2.68 116.57 121.03 2jr5 h LYS 7 Ca 0.05 -0.08 0.01 0.00 0.09 0.00 0.00 60.65 60.72 2jr5 h LYS 7 Cb 1.00 -0.01 -0.03 0.00 0.10 0.00 0.00 32.23 33.30 2jr5 h LYS 7 CO 0.10 0.55 0.39 0.00 -2.09 0.00 0.00 179.45 178.40 2jr5 h ALA 8 N 1.44 1.61 -0.07 0.07 0.00 -1.04 -0.33 119.26 120.93 2jr5 h ALA 8 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jr5 h ALA 8 Cb 0.76 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jr5 h ALA 8 CO 0.06 0.36 -0.04 0.00 0.00 0.00 0.00 179.25 179.62 2jr5 h ARG 9 N 0.78 0.10 -0.09 0.00 3.08 -1.25 0.82 114.38 117.82 2jr5 h ARG 9 Ca 0.22 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.14 2jr5 h ARG 9 Cb -0.05 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2jr5 h ARG 9 CO -0.05 0.16 -0.40 0.82 -1.07 0.00 0.00 179.97 179.43 2jr5 h ILE 10 N 0.10 1.39 -0.29 2.04 2.04 -1.13 -2.71 117.51 118.96 2jr5 h ILE 10 Ca 0.03 -1.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.04 2jr5 h ILE 10 Cb 0.15 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2jr5 h ILE 10 CO 0.01 0.52 -0.18 0.07 0.00 0.00 0.00 178.15 178.56 2jr5 h LYS 11 N -0.01 0.51 -0.92 2.37 5.09 -0.59 0.12 116.57 123.15 2jr5 h LYS 11 Ca -0.02 -0.17 0.02 0.00 0.09 0.00 0.00 60.65 60.56 2jr5 h LYS 11 Cb 1.04 -0.04 -0.05 0.00 0.10 0.00 0.00 32.23 33.28 2jr5 h LYS 11 CO 0.08 0.68 0.61 -1.49 -2.09 0.00 0.00 179.45 177.24 2jr5 h TRP 12 N 0.47 1.15 0.08 0.07 4.06 -0.90 -2.90 115.95 117.97 2jr5 h TRP 12 Ca 0.08 0.03 -0.27 0.00 2.06 0.00 0.00 58.89 60.79 2jr5 h TRP 12 Cb 0.59 -0.39 0.03 0.00 -1.00 0.00 0.00 29.16 28.39 2jr5 h TRP 12 CO 0.02 0.71 -1.09 0.00 -3.56 0.00 0.00 178.44 174.52 2jr5 h ALA 13 N 1.44 0.02 0.00 1.49 0.00 -0.89 -3.29 119.26 118.03 2jr5 h ALA 13 Ca 0.34 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2jr5 h ALA 13 Cb -0.11 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jr5 h ALA 13 CO -0.08 0.62 -0.29 0.00 0.00 0.00 0.00 179.25 179.50 2jr5 s ARG 15 N -4.20 4.13 0.15 0.00 3.52 -1.10 -4.93 118.95 116.52 2jr5 s ARG 15 Ca -0.03 -2.78 -0.01 0.00 -0.13 0.00 0.00 55.73 52.78 2jr5 s ARG 15 Cb 0.14 -4.91 -0.04 0.00 -1.56 0.00 0.00 34.95 28.58 2jr5 s ARG 15 CO 0.69 -1.61 0.06 1.03 -0.81 0.00 0.00 175.30 174.66 2jr5 s ARG 16 N 0.70 1.00 0.00 5.12 1.81 -1.25 -4.93 118.95 121.39 2jr5 s ARG 16 Ca 0.39 -1.48 0.00 0.00 -1.72 0.00 0.00 55.73 52.92 2jr5 s ARG 16 Cb -0.05 0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.60 2jr5 s ARG 16 CO -0.02 -0.26 0.00 0.41 -0.68 0.00 0.00 175.30 174.75 2jr5 n GLY 17 N -0.15 2.03 3.49 -3.53 0.00 -1.26 -4.82 105.19 100.95 2jr5 n GLY 17 Ca -0.05 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 2jr5 n GLY 17 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2jr5 s MET 18 N 0.00 0.68 0.55 1.61 0.23 -1.26 -5.03 119.30 116.07 2jr5 s MET 18 Ca 0.00 0.83 0.34 0.00 -1.03 0.00 0.00 55.69 55.83 2jr5 s MET 18 Cb 0.00 0.32 1.40 0.00 -1.53 0.00 0.00 34.83 35.02 2jr5 s MET 18 CO 0.00 -0.09 2.00 -0.07 -2.03 0.00 0.00 175.02 174.83 2jr5 h LEU 19 N 5.33 0.00 -2.75 0.18 3.38 -1.95 -2.94 115.31 116.56 2jr5 h LEU 19 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2jr5 h LEU 19 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2jr5 h LEU 19 CO 0.14 0.02 0.06 -0.33 0.09 0.00 0.00 178.44 178.42 2jr5 h GLU 20 N 0.00 0.00 0.00 1.13 5.08 -1.97 0.56 114.58 119.38 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 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jr5 h GLU 20 CO 0.00 0.00 -0.35 1.28 -1.00 0.00 0.00 179.01 178.94 2jr5 n LEU 21 N -3.18 0.76 -0.32 1.33 4.77 -1.11 -3.92 117.00 115.32 2jr5 n LEU 21 Ca -0.03 0.38 0.01 0.00 -0.03 0.00 0.00 56.01 56.35 2jr5 n LEU 21 Cb 0.13 -0.24 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2jr5 n LEU 21 CO 0.20 -0.11 1.20 -0.78 -1.33 0.00 0.00 177.39 176.58 2jr5 h ASP 22 N 0.00 0.87 -0.07 -1.43 1.82 -1.07 -1.68 116.42 114.87 2jr5 h ASP 22 Ca 0.00 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.60 2jr5 h ASP 22 Cb 0.74 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 2jr5 h ASP 22 CO 0.00 0.56 -0.10 0.58 -1.61 0.00 0.00 179.24 178.67 2jr5 h VAL 23 N 1.01 1.19 -0.54 2.25 2.07 -1.72 -1.21 116.25 119.30 2jr5 h VAL 23 Ca 0.39 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2jr5 h VAL 23 Cb 0.17 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2jr5 h VAL 23 CO -0.17 0.27 0.00 1.33 0.02 0.00 0.00 177.57 179.01 2jr5 n VAL 24 N -4.26 0.85 0.01 2.57 0.24 -0.79 -4.53 118.33 112.42 2jr5 n VAL 24 Ca 0.00 -0.92 -0.01 0.00 -2.04 0.00 0.00 64.34 61.37 2jr5 n VAL 24 Cb 0.27 0.64 -0.00 0.00 -1.47 0.00 0.00 33.84 33.28 2jr5 n VAL 24 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2jr5 n ILE 25 N 1.31 0.50 0.11 1.34 2.08 -0.70 -4.70 119.36 119.29 2jr5 n ILE 25 Ca 0.20 0.13 -0.13 0.00 0.56 0.00 0.00 62.75 63.51 2jr5 n ILE 25 Cb 0.56 -1.56 -0.06 0.00 -0.75 0.00 0.00 39.64 37.84 2jr5 n ILE 25 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 2jr5 h MET 26 N -0.05 -0.46 -0.07 0.38 4.05 -1.46 0.26 114.93 117.58 2jr5 h MET 26 Ca -0.02 0.03 -0.19 0.00 -0.28 0.00 0.00 59.70 59.24 2jr5 h MET 26 Cb 0.67 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.58 2jr5 h MET 26 CO -0.01 -0.31 -0.75 -1.00 0.23 0.00 0.00 176.91 175.07 2jr5 h PRO 27 N -0.48 0.38 -0.23 0.39 0.13 -1.80 -3.09 132.00 127.30 2jr5 h PRO 27 Ca 0.03 -0.33 -0.15 0.00 -0.87 0.00 0.00 66.00 64.69 2jr5 h PRO 27 Cb 0.51 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2jr5 h PRO 27 CO -0.16 0.97 -0.47 0.74 -0.23 0.00 0.00 178.00 178.84 2jr5 h PHE 28 N 0.26 0.73 -0.92 1.56 0.04 -1.79 -2.85 116.94 113.96 2jr5 h PHE 28 Ca -0.03 -0.24 0.07 0.00 2.80 0.00 0.00 57.97 60.57 2jr5 h PHE 28 Cb 1.33 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 39.27 2jr5 h PHE 28 CO 0.04 0.96 0.58 0.35 -0.60 0.00 0.00 178.31 179.64 2jr5 h PHE 29 N 0.48 1.07 -0.77 -0.55 3.57 -0.46 0.18 116.94 120.46 2jr5 h PHE 29 Ca 0.03 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2jr5 h PHE 29 Cb 1.00 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 2jr5 h PHE 29 CO 0.04 0.53 0.46 0.93 -2.23 0.00 0.00 178.31 178.04 2jr5 h GLU 30 N 1.03 0.81 0.01 1.11 5.08 -1.43 0.19 114.58 121.39 2jr5 h GLU 30 Ca 0.41 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2jr5 h GLU 30 Cb 0.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2jr5 h GLU 30 CO -0.19 0.54 -0.01 0.93 -1.00 0.00 0.00 179.01 179.28 2jr5 h GLU 31 N 0.83 -0.02 -0.23 2.33 5.08 -1.30 -3.10 114.58 118.17 2jr5 h GLU 31 Ca 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2jr5 h GLU 31 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2jr5 h GLU 31 CO -0.18 0.69 0.14 0.00 -1.00 0.00 0.00 179.01 178.65 2jr5 h PHE 33 N 0.28 0.65 0.00 0.00 3.57 -0.75 0.46 116.94 121.14 2jr5 h PHE 33 Ca 0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2jr5 h PHE 33 Cb 0.04 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2jr5 h PHE 33 CO -0.04 0.38 -0.22 0.22 -2.23 0.00 0.00 178.31 176.42 2jr5 h ASP 34 N 0.67 0.00 0.00 0.41 3.58 -1.37 -3.29 116.42 116.42 2jr5 h ASP 34 Ca 0.23 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.58 2jr5 h ASP 34 Cb 0.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2jr5 h ASP 34 CO -0.06 0.22 -1.56 -1.20 -2.88 0.00 0.00 179.24 173.75 2jr5 n SER 35 N -4.02 2.72 -4.89 2.28 7.64 -0.35 -5.03 113.62 111.97 2jr5 n SER 35 Ca -0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.56 2jr5 n SER 35 Cb 0.29 1.01 0.05 0.00 -1.01 0.00 0.00 64.21 64.56 2jr5 n SER 35 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jr5 s LEU 36 N -4.29 2.84 0.29 -3.43 1.43 0.15 -5.08 118.68 110.59 2jr5 s LEU 36 Ca -0.04 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 2jr5 s LEU 36 Cb 0.04 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 2jr5 s LEU 36 CO 0.39 -1.44 0.34 0.42 0.23 0.00 0.00 176.35 176.30 2jr5 s THR 37 N -3.38 4.33 0.35 5.49 -4.23 -1.26 -4.91 115.64 112.02 2jr5 s THR 37 Ca 0.59 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2jr5 s THR 37 Cb -0.11 -3.47 0.26 0.00 1.34 0.00 0.00 72.50 70.52 2jr5 s THR 37 CO 0.51 -0.25 2.01 -0.33 -0.54 0.00 0.00 174.62 176.02 2jr5 h GLU 38 N 1.17 0.82 -0.62 3.99 5.08 -1.97 0.17 114.58 123.22 2jr5 h GLU 38 Ca -0.48 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 57.88 2jr5 h GLU 38 Cb 1.25 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 2jr5 h GLU 38 CO 0.58 0.55 0.34 0.77 -1.00 0.00 0.00 179.01 180.24 2jr5 h SER 39 N 0.85 0.50 0.18 1.42 0.02 -2.00 0.20 113.55 114.71 2jr5 h SER 39 Ca 0.23 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.06 2jr5 h SER 39 Cb -0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2jr5 h SER 39 CO -0.05 0.33 -0.56 -0.33 -1.14 0.00 0.00 176.83 175.08 2jr5 h GLU 40 N 0.63 0.40 -0.11 3.45 5.08 -1.59 -2.94 114.58 119.50 2jr5 h GLU 40 Ca 0.28 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2jr5 h GLU 40 Cb 0.17 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2jr5 h GLU 40 CO -0.17 0.86 -0.20 1.96 -1.00 0.00 0.00 179.01 180.45 2jr5 h GLN 41 N 0.31 0.18 -0.43 2.33 1.08 0.15 0.17 115.11 118.90 2jr5 h GLN 41 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2jr5 h GLN 41 Cb 1.08 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 2jr5 h GLN 41 CO 0.10 0.38 0.28 0.22 -0.95 0.00 0.00 178.83 178.86 2jr5 h ASP 42 N 0.17 0.50 -0.48 1.46 1.82 -0.46 0.41 116.42 119.85 2jr5 h ASP 42 Ca 0.03 -0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.56 2jr5 h ASP 42 Cb 0.46 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 2jr5 h ASP 42 CO 0.03 0.37 -0.04 0.44 -1.61 0.00 0.00 179.24 178.43 2jr5 h ASP 43 N 0.58 0.86 -0.32 2.28 5.19 -1.40 -1.77 116.42 121.85 2jr5 h ASP 43 Ca 0.16 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 2jr5 h ASP 43 Cb -0.05 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.21 2jr5 h ASP 43 CO -0.03 0.99 0.15 0.15 -3.12 0.00 0.00 179.24 177.37 2jr5 h PHE 44 N 0.72 0.47 -0.55 4.55 3.57 -0.24 -1.21 116.94 124.25 2jr5 h PHE 44 Ca 0.13 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2jr5 h PHE 44 Cb 0.57 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2jr5 h PHE 44 CO 0.04 0.42 0.02 0.28 -2.23 0.00 0.00 178.31 176.85 2jr5 h VAL 45 N 0.38 1.25 -0.89 1.41 2.07 -0.19 -1.62 116.25 118.66 2jr5 h VAL 45 Ca 0.11 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.65 2jr5 h VAL 45 Cb 0.14 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2jr5 h VAL 45 CO -0.01 0.38 0.58 0.00 0.02 0.00 0.00 177.57 178.54 2jr5 h ALA 46 N 1.15 1.57 -0.42 1.67 0.00 -0.95 -0.54 119.26 121.74 2jr5 h ALA 46 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2jr5 h ALA 46 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jr5 h ALA 46 CO 0.02 0.28 0.02 -0.07 0.00 0.00 0.00 179.25 179.50 2jr5 h LEU 47 N 0.96 0.72 -1.30 0.00 3.38 -0.53 -2.83 115.31 115.70 2jr5 h LEU 47 Ca 0.39 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2jr5 h LEU 47 Cb 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2jr5 h LEU 47 CO -0.16 0.83 -0.35 -0.07 0.09 0.00 0.00 178.44 178.79 2jr5 h LEU 48 N 0.58 0.00 0.00 1.67 3.38 -0.35 -1.87 115.31 118.72 2jr5 h LEU 48 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 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 0.35 -0.06 -0.62 0.09 0.00 0.00 178.44 178.22 2jr5 n GLU 49 N -4.12 0.20 -2.79 1.13 -0.58 -0.31 -4.57 120.64 109.59 2jr5 n GLU 49 Ca -0.02 0.15 -0.21 0.00 -0.42 0.00 0.00 57.16 56.67 2jr5 n GLU 49 Cb 0.39 -1.72 0.06 0.00 -0.57 0.00 0.00 31.44 29.60 2jr5 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2jr5 s SER 50 N -4.14 4.96 0.60 1.62 0.01 -0.70 -5.10 113.70 110.96 2jr5 s SER 50 Ca 0.11 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 2jr5 s SER 50 Cb 0.14 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 2jr5 s SER 50 CO 0.59 -1.39 1.01 -0.62 0.41 0.00 0.00 173.24 173.25 2jr5 s ASP 51 N -4.59 6.27 -0.52 2.44 2.15 -1.26 -5.00 116.67 116.15 2jr5 s ASP 51 Ca 0.61 1.41 0.04 0.00 0.43 0.00 0.00 52.55 55.05 2jr5 s ASP 51 Cb -0.07 -2.46 0.40 0.00 -0.30 0.00 0.00 42.92 40.48 2jr5 s ASP 51 CO 0.40 -0.83 1.19 -0.90 -0.17 0.00 0.00 175.17 174.86 2jr5 n ASP 52 N -2.61 5.01 -0.07 -0.34 5.75 -1.26 -4.76 116.55 118.27 2jr5 n ASP 52 Ca 0.06 -3.73 -0.09 0.00 -0.01 0.00 0.00 54.79 51.02 2jr5 n ASP 52 Cb 0.54 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 2jr5 n ASP 52 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2jr5 h PRO 53 N 2.74 0.00 -0.58 0.11 0.14 -1.98 -2.76 132.00 129.66 2jr5 h PRO 53 Ca 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 66.41 2jr5 h PRO 53 Cb 0.74 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 31.85 2jr5 h PRO 53 CO 0.91 0.50 0.24 -0.44 0.14 0.00 0.00 178.00 179.35 2jr5 h ASP 54 N -1.00 0.75 0.03 1.44 5.19 -1.94 -1.15 116.42 119.73 2jr5 h ASP 54 Ca -0.07 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2jr5 h ASP 54 Cb 0.66 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.98 2jr5 h ASP 54 CO -0.04 0.67 -0.01 0.25 -3.12 0.00 0.00 179.24 176.98 2jr5 h LEU 55 N 0.82 -0.03 -1.38 1.55 6.46 -1.86 -1.40 115.31 119.47 2jr5 h LEU 55 Ca 0.20 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2jr5 h LEU 55 Cb 0.14 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2jr5 h LEU 55 CO -0.02 0.14 0.24 0.15 -0.62 0.00 0.00 178.44 178.33 2jr5 h PHE 56 N -0.20 0.64 -0.16 1.25 3.57 -1.27 -1.91 116.94 118.85 2jr5 h PHE 56 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2jr5 h PHE 56 Cb 0.19 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2jr5 h PHE 56 CO -0.02 0.47 -0.20 0.00 -2.23 0.00 0.00 178.31 176.33 2jr5 h ALA 57 N 1.60 1.36 0.00 2.41 0.00 -0.78 -2.48 119.26 121.37 2jr5 h ALA 57 Ca 0.17 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2jr5 h ALA 57 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jr5 h ALA 57 CO -0.02 0.44 -0.78 -1.49 0.00 0.00 0.00 179.25 177.39 2jr5 h TRP 58 N 0.25 0.00 -0.91 0.00 4.06 -0.53 0.22 115.95 119.04 2jr5 h TRP 58 Ca 0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 2jr5 h TRP 58 Cb 0.51 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.63 2jr5 h TRP 58 CO 0.01 0.78 0.54 0.28 -3.56 0.00 0.00 178.44 176.49 2jr5 h VAL 59 N 0.00 1.25 0.00 1.49 2.07 -0.95 -1.87 116.25 118.23 2jr5 h VAL 59 Ca -0.01 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2jr5 h VAL 59 Cb 1.57 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2jr5 h VAL 59 CO 0.10 0.27 -0.51 0.24 0.02 0.00 0.00 177.57 177.69 2jr5 h MET 60 N 1.26 0.00 -1.85 1.57 2.86 -1.39 -3.49 114.93 113.89 2jr5 h MET 60 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2jr5 h MET 60 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2jr5 h MET 60 CO -0.06 0.18 0.00 0.41 1.06 0.00 0.00 176.91 178.50 2jr5 n GLY 61 N 1.19 0.51 1.18 8.32 0.00 0.47 -5.00 105.19 111.86 2jr5 n GLY 61 Ca 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.55 2jr5 n GLY 61 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jr5 n HIS 62 N -1.17 0.00 -4.53 1.61 -0.00 0.40 -4.99 115.22 106.54 2jr5 n HIS 62 Ca 0.00 -0.36 -0.26 0.00 -0.00 0.00 0.00 57.72 57.10 2jr5 n HIS 62 Cb 0.49 -0.06 -0.07 0.00 -0.00 0.00 0.00 29.99 30.35 2jr5 n HIS 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jr5 n GLY 63 N 0.32 3.31 3.37 1.57 0.00 -1.21 -4.94 105.19 107.61 2jr5 n GLY 63 Ca 0.01 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.69 2jr5 n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jr5 s ARG 64 N -3.56 1.42 -0.07 1.61 0.52 -1.26 -4.91 118.95 112.70 2jr5 s ARG 64 Ca 0.17 -1.70 -0.05 0.00 -0.52 0.00 0.00 55.73 53.63 2jr5 s ARG 64 Cb 0.01 -0.94 0.02 0.00 0.52 0.00 0.00 34.95 34.56 2jr5 s ARG 64 CO 0.12 0.02 0.16 0.00 0.02 0.00 0.00 175.30 175.62 2jr5 h GLU 66 N 6.39 0.42 -4.84 0.00 4.39 -2.05 -3.40 114.58 115.48 2jr5 h GLU 66 Ca -0.31 -0.25 -0.65 0.00 0.34 0.00 0.00 59.36 58.48 2jr5 h GLU 66 Cb 1.18 0.02 -0.36 0.00 -0.10 0.00 0.00 28.75 29.49 2jr5 h GLU 66 CO 0.41 0.84 -0.82 0.54 -1.16 0.00 0.00 179.01 178.82 2jr5 s ASN 67 N -6.90 3.65 0.27 1.42 4.22 -1.26 -4.99 114.94 111.36 2jr5 s ASN 67 Ca -0.06 -0.98 0.24 0.00 -2.14 0.00 0.00 52.86 49.92 2jr5 s ASN 67 Cb 0.12 -1.42 0.99 0.00 1.28 0.00 0.00 41.25 42.22 2jr5 s ASN 67 CO 0.82 -0.11 1.72 0.18 -2.04 0.00 0.00 177.10 177.67 2jr5 n LEU 68 N 4.58 0.70 -0.17 3.54 4.77 -1.26 -2.43 117.00 126.73 2jr5 n LEU 68 Ca -0.17 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 2jr5 n LEU 68 Cb 0.46 -0.58 0.38 0.00 -2.33 0.00 0.00 43.42 41.36 2jr5 n LEU 68 CO 0.22 -0.57 1.21 1.23 -1.33 0.00 0.00 177.39 178.15 2jr5 h GLY 69 N 2.27 0.90 1.18 -0.72 0.00 -1.97 -0.03 103.07 104.70 2jr5 h GLY 69 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 2jr5 h GLY 69 CO 0.00 0.19 -0.55 1.41 0.00 0.00 0.00 176.54 177.59 2jr5 h LEU 70 N 0.68 0.96 -1.40 3.11 3.38 -1.87 -3.17 115.31 116.99 2jr5 h LEU 70 Ca 0.31 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2jr5 h LEU 70 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2jr5 h LEU 70 CO -0.11 1.31 -0.18 0.00 0.09 0.00 0.00 178.44 179.55 2jr5 h ALA 71 N 0.71 1.10 -0.81 1.53 0.00 -1.36 -3.07 119.26 117.35 2jr5 h ALA 71 Ca 0.01 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2jr5 h ALA 71 Cb 1.15 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2jr5 h ALA 71 CO 0.12 0.23 0.48 0.00 0.00 0.00 0.00 179.25 180.08 2jr5 h ALA 72 N 1.82 1.11 -0.13 0.00 0.00 -1.02 0.25 119.26 121.29 2jr5 h ALA 72 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2jr5 h ALA 72 Cb 0.60 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jr5 h ALA 72 CO 0.02 0.19 -0.69 0.52 0.00 0.00 0.00 179.25 179.30 2jr5 h MET 73 N 0.87 0.53 -0.64 0.00 2.86 -1.69 -3.06 114.93 113.80 2jr5 h MET 73 Ca 0.36 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2jr5 h MET 73 Cb 0.21 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2jr5 h MET 73 CO -0.19 1.03 0.24 0.28 1.06 0.00 0.00 176.91 179.33 2jr5 h VAL 74 N 0.38 1.23 -0.58 -2.22 2.07 -1.37 -2.44 116.25 113.32 2jr5 h VAL 74 Ca -0.02 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.84 2jr5 h VAL 74 Cb 1.27 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 2jr5 h VAL 74 CO 0.13 0.29 0.23 -0.78 0.02 0.00 0.00 177.57 177.45 2jr5 h ASP 75 N 0.92 0.25 -0.12 0.57 3.58 -0.44 -0.10 116.42 121.08 2jr5 h ASP 75 Ca 0.21 0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.65 2jr5 h ASP 75 Cb 0.20 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2jr5 h ASP 75 CO -0.02 0.16 -0.18 0.11 -2.88 0.00 0.00 179.24 176.43 2jr5 h LYS 76 N 0.42 0.51 0.08 0.28 1.79 -1.38 0.22 116.57 118.49 2jr5 h LYS 76 Ca 0.28 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2jr5 h LYS 76 Cb 0.32 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2jr5 h LYS 76 CO -0.27 0.68 -0.04 0.82 -1.08 0.00 0.00 179.45 179.56 2jr5 h ILE 77 N 0.47 1.09 -0.64 1.86 2.04 -1.02 -2.29 117.51 119.02 2jr5 h ILE 77 Ca 0.08 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 2jr5 h ILE 77 Cb 0.58 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2jr5 h ILE 77 CO 0.04 0.15 0.30 0.58 0.00 0.00 0.00 178.15 179.23 2jr5 h VAL 78 N -0.39 1.22 -0.65 1.67 2.07 -0.73 -1.08 116.25 118.36 2jr5 h VAL 78 Ca -0.01 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.91 2jr5 h VAL 78 Cb 0.34 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2jr5 h VAL 78 CO 0.02 0.25 0.43 0.00 0.02 0.00 0.00 177.57 178.29 2jr5 h ALA 79 N 1.13 1.58 -0.20 1.67 0.00 -0.58 0.21 119.26 123.07 2jr5 h ALA 79 Ca 0.22 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2jr5 h ALA 79 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jr5 h ALA 79 CO -0.03 0.37 -0.62 0.45 0.00 0.00 0.00 179.25 179.43 2jr5 h HIS 80 N 0.84 0.90 -0.34 0.00 -0.00 -0.86 -2.95 115.15 112.74 2jr5 h HIS 80 Ca 0.25 -0.34 -0.11 0.00 -0.00 0.00 0.00 60.37 60.16 2jr5 h HIS 80 Cb -0.03 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 2jr5 h HIS 80 CO -0.00 1.14 -0.24 -0.97 -0.00 0.00 0.00 177.93 177.85 2jr5 h ASN 81 N 0.52 0.67 -0.52 2.45 -1.24 -0.34 -2.72 115.58 114.40 2jr5 h ASN 81 Ca -0.01 -0.24 0.03 0.00 0.71 0.00 0.00 56.30 56.79 2jr5 h ASN 81 Cb 1.21 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 40.03 2jr5 h ASN 81 CO 0.12 0.90 0.30 0.25 -1.29 0.00 0.00 177.43 177.71 2jr5 h LEU 82 N 0.58 0.47 -0.39 0.34 5.85 -0.57 -1.60 115.31 120.00 2jr5 h LEU 82 Ca 0.08 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 2jr5 h LEU 82 Cb 0.72 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2jr5 h LEU 82 CO 0.06 0.33 -0.50 0.77 -0.34 0.00 0.00 178.44 178.76 2jr5 h SER 83 N 0.59 0.89 0.40 1.25 4.64 -1.40 -1.66 113.55 118.25 2jr5 h SER 83 Ca 0.21 -0.45 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 2jr5 h SER 83 Cb 0.05 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2jr5 h SER 83 CO -0.11 1.23 -0.36 0.07 -0.87 0.00 0.00 176.83 176.79 2jr5 h LYS 84 N 0.64 0.00 -0.13 4.77 2.10 -1.32 -2.01 116.57 120.61 2jr5 h LYS 84 Ca 0.03 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.50 2jr5 h LYS 84 Cb 1.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2jr5 h LYS 84 CO 0.11 0.36 -0.66 0.28 -2.00 0.00 0.00 179.45 177.54 2jr5 h VAL 85 N 0.00 1.34 0.00 0.07 2.07 -0.99 -0.06 116.25 118.68 2jr5 h VAL 85 Ca -0.00 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2jr5 h VAL 85 Cb 0.66 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2jr5 h VAL 85 CO 0.05 0.61 0.00 0.08 0.02 0.00 0.00 177.57 178.32 2jr5 h ARG 86 N 0.38 0.00 0.00 1.57 0.11 -0.93 0.19 114.38 115.71 2jr5 h ARG 86 Ca -0.02 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.97 2jr5 h ARG 86 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 2jr5 h ARG 86 CO 0.12 0.00 -0.54 1.25 0.10 0.00 0.00 179.97 180.90 2jr5 h LEU 87 N 0.00 0.00 -0.31 0.08 5.85 -1.18 -3.39 115.31 116.35 2jr5 h LEU 87 Ca 0.00 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.07 2jr5 h LEU 87 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2jr5 h LEU 87 CO 0.00 1.10 -0.34 -0.33 -0.34 0.00 0.00 178.44 178.53 2jr5 h GLU 88 N -1.00 0.00 0.00 1.25 5.08 -1.01 -3.46 114.58 115.43 2jr5 h GLU 88 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2jr5 h GLU 88 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2jr5 h GLU 88 CO -0.08 0.34 0.00 0.72 -1.00 0.00 0.00 179.01 178.99 2jr5 n HIS 89 N -3.25 0.00 -3.90 4.33 8.25 0.68 -5.07 115.22 116.26 2jr5 n HIS 89 Ca 0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 2jr5 n HIS 89 Cb 0.62 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.57 2jr5 n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jr5 s HIS 90 N 1.33 2.09 -0.17 4.41 2.46 -1.24 -4.48 115.29 119.70 2jr5 s HIS 90 Ca 0.00 -1.53 -0.13 0.00 0.47 0.00 0.00 55.06 53.87 2jr5 s HIS 90 Cb 0.00 -1.46 0.05 0.00 -0.13 0.00 0.00 32.58 31.04 2jr5 s HIS 90 CO 0.00 -0.73 0.44 -1.58 -2.47 0.00 0.00 174.74 170.40 2jr5 s HIS 91 N 1.50 -0.54 0.52 3.88 5.04 -1.26 -4.94 115.29 119.49 2jr5 s HIS 91 Ca -0.04 1.24 0.04 0.00 -1.54 0.00 0.00 55.06 54.76 2jr5 s HIS 91 Cb -0.18 0.21 0.10 0.00 0.04 0.00 0.00 32.58 32.74 2jr5 s HIS 91 CO -0.07 -0.28 0.72 0.72 -2.34 0.00 0.00 174.74 173.49 2jr5 n HIS 92 N 3.34 -2.70 -3.49 3.88 8.25 -1.26 -4.57 115.22 118.66 2jr5 n HIS 92 Ca -0.17 -1.57 -0.11 0.00 -0.26 0.00 0.00 57.72 55.61 2jr5 n HIS 92 Cb 0.56 -0.51 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 2jr5 n HIS 92 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jr5 s HIS 93 N -2.14 -0.47 0.00 4.41 -0.00 -1.26 -5.06 115.29 110.77 2jr5 s HIS 93 Ca 0.51 0.23 0.00 0.00 -0.00 0.00 0.00 55.06 55.80 2jr5 s HIS 93 Cb -0.03 0.56 0.00 0.00 -0.00 0.00 0.00 32.58 33.10 2jr5 s HIS 93 CO 0.33 -0.89 0.26 1.58 -0.00 0.00 0.00 174.74 176.02