#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 1.38 0.00 2.03 1.51 -1.26 -5.04 117.35 115.97 2jr5 s TYR 2 Ca 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 57.07 54.84 2jr5 s TYR 2 Cb 0.00 -1.28 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 2jr5 s TYR 2 CO 0.00 -0.71 0.00 0.25 -1.11 0.00 0.00 175.55 173.98 2jr5 n THR 3 N 4.95 0.00 -0.33 -0.71 -2.24 -1.26 -4.91 114.28 109.78 2jr5 n THR 3 Ca -0.07 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.73 2jr5 n THR 3 Cb 0.45 -1.29 0.20 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.38 1.44 -0.76 6.98 0.00 -2.00 -2.22 119.26 122.33 2jr5 h ALA 4 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jr5 h ALA 4 Cb 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2jr5 h ALA 4 CO 0.00 0.43 0.47 0.93 0.00 0.00 0.00 179.25 181.08 2jr5 h GLU 5 N 1.12 1.02 -0.17 0.00 3.07 -1.98 -0.28 114.58 117.36 2jr5 h GLU 5 Ca 0.40 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 2jr5 h GLU 5 Cb 0.13 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 2jr5 h GLU 5 CO -0.15 0.71 0.04 1.96 -1.40 0.00 0.00 179.01 180.17 2jr5 h GLN 6 N 1.04 0.27 -0.02 2.33 7.50 -1.77 -1.55 115.11 122.91 2jr5 h GLN 6 Ca 0.27 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.27 2jr5 h GLN 6 Cb -0.06 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.42 2jr5 h GLN 6 CO -0.05 0.42 -0.38 1.57 -1.50 0.00 0.00 178.83 178.88 2jr5 h LYS 7 N 0.08 0.05 -0.63 1.46 2.10 -1.36 -2.34 116.57 115.94 2jr5 h LYS 7 Ca 0.05 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 2jr5 h LYS 7 Cb 0.27 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.57 2jr5 h LYS 7 CO 0.00 0.43 0.31 0.00 -2.00 0.00 0.00 179.45 178.19 2jr5 h ALA 8 N 1.57 0.81 -0.17 0.07 0.00 -0.60 0.40 119.26 121.34 2jr5 h ALA 8 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2jr5 h ALA 8 Cb 0.70 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jr5 h ALA 8 CO 0.05 0.36 -0.25 0.00 0.00 0.00 0.00 179.25 179.42 2jr5 h ARG 9 N 0.86 0.31 -0.49 0.00 3.08 -0.99 -1.94 114.38 115.22 2jr5 h ARG 9 Ca 0.22 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 2jr5 h ARG 9 Cb 0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2jr5 h ARG 9 CO -0.03 0.54 0.05 0.82 -1.07 0.00 0.00 179.97 180.29 2jr5 h ILE 10 N 0.28 1.25 -0.84 2.04 2.04 -0.87 -2.86 117.51 118.56 2jr5 h ILE 10 Ca 0.04 -0.97 0.14 0.00 1.00 0.00 0.00 64.86 65.07 2jr5 h ILE 10 Cb 0.59 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 2jr5 h ILE 10 CO 0.04 0.34 0.55 0.50 0.00 0.00 0.00 178.15 179.58 2jr5 h LYS 11 N 0.69 0.60 0.00 2.37 1.63 0.46 0.16 116.57 122.48 2jr5 h LYS 11 Ca 0.14 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2jr5 h LYS 11 Cb 0.43 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2jr5 h LYS 11 CO 0.01 0.40 -0.08 -1.49 -3.45 0.00 0.00 179.45 174.84 2jr5 h TRP 12 N 0.62 0.00 -0.86 1.91 4.06 -1.14 -2.50 115.95 118.04 2jr5 h TRP 12 Ca 0.41 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.97 2jr5 h TRP 12 Cb 0.72 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 28.64 2jr5 h TRP 12 CO -0.00 0.08 0.50 0.00 -3.56 0.00 0.00 178.44 175.47 2jr5 n ALA 13 N -2.19 5.10 0.30 1.49 0.00 0.56 -4.52 120.51 121.25 2jr5 n ALA 13 Ca -0.01 -2.52 0.16 0.00 0.00 0.00 0.00 53.44 51.06 2jr5 n ALA 13 Cb 0.26 -1.36 0.95 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.78 -1.38 -3.40 0.00 5.12 -1.26 -4.68 116.66 107.27 2jr5 n ARG 15 Ca -0.03 1.25 -0.37 0.00 -1.93 0.00 0.00 57.85 56.77 2jr5 n ARG 15 Cb 0.08 -1.07 -0.07 0.00 -1.16 0.00 0.00 32.46 30.25 2jr5 n ARG 15 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2jr5 s ARG 16 N -2.73 4.27 0.00 5.56 3.03 -1.26 -4.67 118.95 123.15 2jr5 s ARG 16 Ca 0.00 0.27 0.00 0.00 2.03 0.00 0.00 55.73 58.03 2jr5 s ARG 16 Cb 0.00 -3.46 0.00 0.00 -1.03 0.00 0.00 34.95 30.46 2jr5 s ARG 16 CO 0.00 0.12 0.00 0.41 -1.13 0.00 0.00 175.30 174.70 2jr5 n GLY 17 N 3.49 -0.36 2.86 3.88 0.00 -1.26 -5.10 105.19 108.70 2jr5 n GLY 17 Ca -0.09 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2jr5 n GLY 17 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jr5 s MET 18 N 0.00 1.27 0.46 1.61 -1.94 -1.26 -5.01 119.30 114.42 2jr5 s MET 18 Ca 0.00 -0.28 0.11 0.00 -1.71 0.00 0.00 55.69 53.81 2jr5 s MET 18 Cb 0.00 -1.65 1.05 0.00 2.01 0.00 0.00 34.83 36.24 2jr5 s MET 18 CO 0.00 -0.35 2.10 -0.07 -0.01 0.00 0.00 175.02 176.68 2jr5 h LEU 19 N 8.19 0.26 -0.66 -0.03 3.38 -1.99 -0.86 115.31 123.60 2jr5 h LEU 19 Ca -0.25 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 2jr5 h LEU 19 Cb 1.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2jr5 h LEU 19 CO 0.37 0.19 -0.49 -0.33 0.09 0.00 0.00 178.44 178.27 2jr5 h GLU 20 N 0.31 0.45 -0.05 1.13 5.08 -2.00 -2.87 114.58 116.63 2jr5 h GLU 20 Ca 0.09 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 58.05 2jr5 h GLU 20 Cb -0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2jr5 h GLU 20 CO -0.02 0.85 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.16 2jr5 h LEU 21 N 0.36 0.20 -1.69 1.33 3.38 -1.61 -2.53 115.31 114.75 2jr5 h LEU 21 Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2jr5 h LEU 21 Cb 0.99 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2jr5 h LEU 21 CO 0.09 0.76 0.11 -0.78 0.09 0.00 0.00 178.44 178.71 2jr5 h ASP 22 N 0.13 0.28 0.99 -0.43 3.58 -1.12 -1.42 116.42 118.42 2jr5 h ASP 22 Ca -0.01 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.31 2jr5 h ASP 22 Cb 1.10 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 2jr5 h ASP 22 CO 0.09 0.24 -0.57 0.58 -2.88 0.00 0.00 179.24 176.70 2jr5 h VAL 23 N 0.32 1.14 -0.07 2.25 2.07 -1.25 -3.33 116.25 117.38 2jr5 h VAL 23 Ca 0.08 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 65.43 2jr5 h VAL 23 Cb 0.04 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2jr5 h VAL 23 CO -0.01 0.56 -0.02 0.58 0.02 0.00 0.00 177.57 178.70 2jr5 h VAL 24 N 0.00 1.29 -0.81 2.57 2.07 -1.02 -3.26 116.25 117.10 2jr5 h VAL 24 Ca -0.01 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.64 2jr5 h VAL 24 Cb 1.21 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 2jr5 h VAL 24 CO 0.07 0.25 0.53 0.40 0.02 0.00 0.00 177.57 178.85 2jr5 h ILE 25 N -0.20 1.09 0.34 4.57 2.04 -1.63 -2.24 117.51 121.48 2jr5 h ILE 25 Ca 0.02 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2jr5 h ILE 25 Cb 0.41 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2jr5 h ILE 25 CO 0.01 0.17 -0.24 -0.03 0.00 0.00 0.00 178.15 178.06 2jr5 h MET 26 N 0.95 -0.55 0.02 2.37 4.05 -1.71 -1.46 114.93 118.60 2jr5 h MET 26 Ca 0.33 0.04 -0.29 0.00 -0.28 0.00 0.00 59.70 59.50 2jr5 h MET 26 Cb 0.12 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 2jr5 h MET 26 CO -0.11 -0.37 -1.59 -1.00 0.23 0.00 0.00 176.91 174.08 2jr5 h PRO 27 N -0.57 0.05 -0.31 0.39 0.14 -1.73 -3.37 132.00 126.60 2jr5 h PRO 27 Ca -0.03 -0.08 -0.10 0.00 0.14 0.00 0.00 66.00 65.93 2jr5 h PRO 27 Cb 0.49 0.03 -0.01 0.00 0.14 0.00 0.00 31.00 31.64 2jr5 h PRO 27 CO 0.01 0.71 -0.21 0.74 0.14 0.00 0.00 178.00 179.39 2jr5 h PHE 28 N 0.01 0.65 -0.20 1.56 -1.00 -1.39 -2.32 116.94 114.26 2jr5 h PHE 28 Ca -0.24 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.41 2jr5 h PHE 28 Cb 1.97 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 41.36 2jr5 h PHE 28 CO 0.01 0.75 0.10 0.35 -1.61 0.00 0.00 178.31 177.92 2jr5 h PHE 29 N 0.52 0.19 -1.00 -0.55 3.57 -1.44 0.10 116.94 118.34 2jr5 h PHE 29 Ca 0.08 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.70 2jr5 h PHE 29 Cb 0.65 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 2jr5 h PHE 29 CO 0.03 0.11 0.63 0.93 -2.23 0.00 0.00 178.31 177.77 2jr5 h GLU 30 N 0.21 0.97 0.09 1.11 4.39 -1.64 0.16 114.58 119.88 2jr5 h GLU 30 Ca 0.08 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2jr5 h GLU 30 Cb 0.02 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2jr5 h GLU 30 CO -0.05 0.64 -0.04 0.93 -1.16 0.00 0.00 179.01 179.33 2jr5 h GLU 31 N 1.00 -0.11 0.00 2.33 4.39 -0.89 -3.34 114.58 117.96 2jr5 h GLU 31 Ca 0.49 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 60.06 2jr5 h GLU 31 Cb 0.46 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2jr5 h GLU 31 CO -0.25 0.37 -0.66 0.00 -1.16 0.00 0.00 179.01 177.31 2jr5 h PHE 33 N 0.00 0.66 0.00 0.00 3.57 -0.80 0.19 116.94 120.56 2jr5 h PHE 33 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2jr5 h PHE 33 Cb 1.20 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 2jr5 h PHE 33 CO 0.00 0.18 -0.04 0.22 -2.23 0.00 0.00 178.31 176.45 2jr5 h ASP 34 N 0.50 0.00 -0.01 0.41 3.58 -1.65 -2.62 116.42 116.64 2jr5 h ASP 34 Ca 0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.93 2jr5 h ASP 34 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2jr5 h ASP 34 CO -0.21 0.04 0.00 -1.54 -2.88 0.00 0.00 179.24 174.65 2jr5 n SER 35 N -4.00 2.05 -3.12 2.28 3.41 0.44 -5.03 113.62 109.65 2jr5 n SER 35 Ca -0.03 -2.10 -0.09 0.00 -0.26 0.00 0.00 58.87 56.39 2jr5 n SER 35 Cb 0.12 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 2jr5 n SER 35 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jr5 n LEU 36 N -0.57 0.00 -4.02 1.04 4.77 0.15 -5.10 117.00 113.27 2jr5 n LEU 36 Ca 0.02 -0.94 -0.10 0.00 -0.03 0.00 0.00 56.01 54.96 2jr5 n LEU 36 Cb 0.29 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2jr5 n LEU 36 CO 0.00 -0.66 -0.04 -0.89 -1.33 0.00 0.00 177.39 174.47 2jr5 s THR 37 N -0.91 0.05 0.23 -5.08 2.01 -1.26 -5.00 115.64 105.67 2jr5 s THR 37 Ca 0.27 -1.54 -0.08 0.00 0.31 0.00 0.00 61.69 60.65 2jr5 s THR 37 Cb -0.02 -2.04 0.19 0.00 0.01 0.00 0.00 72.50 70.64 2jr5 s THR 37 CO 0.18 -0.21 1.87 -0.33 -0.69 0.00 0.00 174.62 175.44 2jr5 h GLU 38 N 2.53 0.99 -0.19 4.92 3.07 -1.98 0.41 114.58 124.33 2jr5 h GLU 38 Ca -0.32 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.52 2jr5 h GLU 38 Cb 1.23 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.89 2jr5 h GLU 38 CO 0.47 0.65 -0.04 0.66 -1.40 0.00 0.00 179.01 179.36 2jr5 h SER 39 N 1.02 -0.16 -0.23 1.42 4.64 -2.00 -0.26 113.55 117.98 2jr5 h SER 39 Ca 0.32 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 2jr5 h SER 39 Cb 0.00 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2jr5 h SER 39 CO -0.11 -0.05 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.37 2jr5 h GLU 40 N 0.01 0.60 0.00 4.77 4.39 -1.72 -2.09 114.58 120.55 2jr5 h GLU 40 Ca 0.09 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2jr5 h GLU 40 Cb 0.14 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2jr5 h GLU 40 CO -0.19 0.69 -0.26 1.96 -1.16 0.00 0.00 179.01 180.06 2jr5 h GLN 41 N 0.56 0.00 -0.21 2.33 4.20 0.31 0.19 115.11 122.49 2jr5 h GLN 41 Ca 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2jr5 h GLN 41 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2jr5 h GLN 41 CO 0.03 0.26 -0.06 0.22 -0.67 0.00 0.00 178.83 178.60 2jr5 h ASP 42 N 0.00 0.43 -0.30 1.46 3.58 -0.36 -1.13 116.42 120.09 2jr5 h ASP 42 Ca -0.00 -0.38 -0.07 0.00 0.42 0.00 0.00 57.03 57.00 2jr5 h ASP 42 Cb 0.51 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2jr5 h ASP 42 CO 0.03 0.71 -0.02 0.44 -2.88 0.00 0.00 179.24 177.52 2jr5 h ASP 43 N 0.14 0.63 0.01 2.28 3.32 -1.16 0.01 116.42 121.66 2jr5 h ASP 43 Ca 0.05 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2jr5 h ASP 43 Cb 0.53 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2jr5 h ASP 43 CO 0.02 0.72 -0.00 0.15 -1.72 0.00 0.00 179.24 178.41 2jr5 h PHE 44 N 0.62 -0.01 -0.48 4.55 3.57 -0.48 0.17 116.94 124.88 2jr5 h PHE 44 Ca 0.12 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 2jr5 h PHE 44 Cb 0.43 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2jr5 h PHE 44 CO 0.02 0.07 -0.08 0.28 -2.23 0.00 0.00 178.31 176.37 2jr5 h VAL 45 N -0.08 1.26 -0.48 1.41 2.07 -1.03 -1.56 116.25 117.84 2jr5 h VAL 45 Ca -0.00 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2jr5 h VAL 45 Cb 0.08 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2jr5 h VAL 45 CO 0.00 0.40 0.30 0.00 0.02 0.00 0.00 177.57 178.29 2jr5 h ALA 46 N 1.13 0.61 -0.38 1.67 0.00 -0.75 -2.79 119.26 118.74 2jr5 h ALA 46 Ca 0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2jr5 h ALA 46 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jr5 h ALA 46 CO 0.04 0.09 -0.15 1.25 0.00 0.00 0.00 179.25 180.48 2jr5 h LEU 47 N 0.64 0.68 -1.46 0.00 5.85 -0.37 -2.30 115.31 118.35 2jr5 h LEU 47 Ca 0.17 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2jr5 h LEU 47 Cb -0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2jr5 h LEU 47 CO -0.03 0.84 0.03 -0.07 -0.34 0.00 0.00 178.44 178.87 2jr5 h LEU 48 N 0.62 0.35 0.00 2.25 3.38 -1.05 -1.06 115.31 119.80 2jr5 h LEU 48 Ca 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jr5 h LEU 48 Cb 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2jr5 h LEU 48 CO 0.04 0.39 -0.37 -0.62 0.09 0.00 0.00 178.44 177.98 2jr5 n GLU 49 N -4.35 0.19 -2.46 1.13 1.02 -1.06 -4.80 120.64 110.32 2jr5 n GLU 49 Ca 0.01 0.09 -0.23 0.00 -0.02 0.00 0.00 57.16 57.00 2jr5 n GLU 49 Cb 0.19 -1.66 0.07 0.00 -0.02 0.00 0.00 31.44 30.02 2jr5 n GLU 49 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jr5 s SER 50 N -3.91 4.83 0.67 1.62 0.01 -0.40 -5.07 113.70 111.43 2jr5 s SER 50 Ca 0.09 0.06 -0.13 0.00 1.31 0.00 0.00 55.95 57.28 2jr5 s SER 50 Cb 0.15 -0.72 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 2jr5 s SER 50 CO 0.66 -1.52 1.08 -0.62 0.41 0.00 0.00 173.24 173.25 2jr5 s ASP 51 N -4.55 5.29 -0.47 2.44 2.15 -1.26 -4.96 116.67 115.31 2jr5 s ASP 51 Ca 0.61 1.82 0.05 0.00 0.43 0.00 0.00 52.55 55.46 2jr5 s ASP 51 Cb -0.09 -2.53 0.40 0.00 -0.30 0.00 0.00 42.92 40.41 2jr5 s ASP 51 CO 0.42 -1.51 1.08 -0.90 -0.17 0.00 0.00 175.17 174.10 2jr5 n ASP 52 N -2.65 4.68 -0.07 -0.34 5.75 -1.26 -4.78 116.55 117.87 2jr5 n ASP 52 Ca 0.09 -3.71 -0.08 0.00 -0.01 0.00 0.00 54.79 51.08 2jr5 n ASP 52 Cb 0.53 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 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 2.67 0.00 -0.10 0.11 0.14 -1.99 -2.58 132.00 130.25 2jr5 h PRO 53 Ca 0.26 0.00 -0.11 0.00 0.14 0.00 0.00 66.00 66.29 2jr5 h PRO 53 Cb 0.83 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.95 2jr5 h PRO 53 CO 0.85 0.43 -0.45 0.38 0.14 0.00 0.00 178.00 179.35 2jr5 h ASP 54 N -1.00 0.25 -0.11 1.44 2.03 -1.88 -2.71 116.42 114.44 2jr5 h ASP 54 Ca -0.05 -0.11 0.02 0.00 -0.73 0.00 0.00 57.03 56.16 2jr5 h ASP 54 Cb 0.56 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.97 2jr5 h ASP 54 CO -0.03 0.67 -0.00 0.25 -1.03 0.00 0.00 179.24 179.10 2jr5 h LEU 55 N 0.19 -0.05 -1.48 0.15 6.46 -1.87 -0.68 115.31 118.03 2jr5 h LEU 55 Ca 0.01 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2jr5 h LEU 55 Cb 0.88 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 2jr5 h LEU 55 CO 0.07 -0.01 0.36 0.15 -0.62 0.00 0.00 178.44 178.39 2jr5 h PHE 56 N 0.03 0.66 -0.01 1.25 3.57 -1.31 -2.19 116.94 118.96 2jr5 h PHE 56 Ca 0.05 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 2jr5 h PHE 56 Cb 0.06 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2jr5 h PHE 56 CO -0.14 0.41 -0.76 0.00 -2.23 0.00 0.00 178.31 175.60 2jr5 h ALA 57 N 1.67 0.73 0.00 2.41 0.00 -1.07 -3.13 119.26 119.87 2jr5 h ALA 57 Ca 0.20 -0.67 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 2jr5 h ALA 57 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jr5 h ALA 57 CO -0.05 0.91 -0.79 -1.49 0.00 0.00 0.00 179.25 177.83 2jr5 h TRP 58 N 0.04 0.00 -0.16 0.00 4.06 -0.56 0.28 115.95 119.61 2jr5 h TRP 58 Ca -0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 2jr5 h TRP 58 Cb 1.33 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.48 2jr5 h TRP 58 CO 0.01 0.79 -0.19 0.28 -3.56 0.00 0.00 178.44 175.78 2jr5 h VAL 59 N 0.00 1.21 0.00 1.49 2.07 -1.36 -2.10 116.25 117.56 2jr5 h VAL 59 Ca -0.01 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2jr5 h VAL 59 Cb 1.55 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2jr5 h VAL 59 CO 0.10 0.30 -1.11 1.15 0.02 0.00 0.00 177.57 178.03 2jr5 n MET 60 N -4.21 0.32 -2.38 1.57 0.00 -1.20 -4.92 117.12 106.30 2jr5 n MET 60 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 57.70 57.62 2jr5 n MET 60 Cb 0.32 -1.59 0.03 0.00 0.00 0.00 0.00 33.22 31.97 2jr5 n MET 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jr5 n GLY 61 N 1.36 0.21 0.55 3.17 0.00 0.22 -4.97 105.19 105.73 2jr5 n GLY 61 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.98 0.00 -4.08 1.61 -0.00 0.72 -5.00 115.22 106.49 2jr5 n HIS 62 Ca -0.08 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.72 57.57 2jr5 n HIS 62 Cb 0.55 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.99 30.51 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 0.03 3.89 3.04 1.57 0.00 -1.14 -4.96 105.19 107.61 2jr5 n GLY 63 Ca 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 2jr5 n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jr5 s ARG 64 N -2.30 0.38 0.06 1.61 3.03 -1.26 -4.86 118.95 115.61 2jr5 s ARG 64 Ca 0.06 -0.47 0.01 0.00 2.03 0.00 0.00 55.73 57.35 2jr5 s ARG 64 Cb 0.00 0.15 -0.03 0.00 -1.03 0.00 0.00 34.95 34.04 2jr5 s ARG 64 CO 0.04 -0.08 -0.05 0.00 -1.13 0.00 0.00 175.30 174.08 2jr5 h GLU 66 N 3.55 0.74 -6.12 0.00 4.39 -2.02 -3.44 114.58 111.69 2jr5 h GLU 66 Ca -0.34 -0.53 -0.69 0.00 0.34 0.00 0.00 59.36 58.14 2jr5 h GLU 66 Cb 1.17 0.09 -0.27 0.00 -0.10 0.00 0.00 28.75 29.64 2jr5 h GLU 66 CO 0.57 1.15 -0.82 0.54 -1.16 0.00 0.00 179.01 179.30 2jr5 s ASN 67 N -6.87 3.64 0.18 1.42 2.20 -1.26 -4.99 114.94 109.26 2jr5 s ASN 67 Ca -0.11 -0.34 0.25 0.00 -0.94 0.00 0.00 52.86 51.72 2jr5 s ASN 67 Cb 0.08 -0.90 0.90 0.00 -2.00 0.00 0.00 41.25 39.33 2jr5 s ASN 67 CO 0.87 0.29 1.76 0.18 -2.94 0.00 0.00 177.10 177.26 2jr5 n LEU 68 N 2.70 0.62 -0.06 3.54 4.77 -1.26 -3.66 117.00 123.64 2jr5 n LEU 68 Ca -0.17 0.59 -0.08 0.00 -0.03 0.00 0.00 56.01 56.31 2jr5 n LEU 68 Cb 0.52 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2jr5 n LEU 68 CO 0.26 -0.27 0.92 1.23 -1.33 0.00 0.00 177.39 178.20 2jr5 h GLY 69 N 3.84 0.31 1.43 -0.72 0.00 -1.99 0.42 103.07 106.36 2jr5 h GLY 69 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 2jr5 h GLY 69 CO 0.00 0.03 -0.24 1.41 0.00 0.00 0.00 176.54 177.74 2jr5 h LEU 70 N 0.20 0.66 -1.22 3.11 3.38 -1.99 -2.94 115.31 116.51 2jr5 h LEU 70 Ca 0.11 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2jr5 h LEU 70 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jr5 h LEU 70 CO -0.11 0.89 -0.32 0.00 0.09 0.00 0.00 178.44 178.98 2jr5 h ALA 71 N 1.16 1.15 -0.56 1.53 0.00 -1.46 -3.19 119.26 117.89 2jr5 h ALA 71 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jr5 h ALA 71 Cb 0.72 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jr5 h ALA 71 CO 0.06 0.40 0.36 0.00 0.00 0.00 0.00 179.25 180.07 2jr5 h ALA 72 N 1.68 0.72 0.00 0.00 0.00 0.01 0.42 119.26 122.08 2jr5 h ALA 72 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2jr5 h ALA 72 Cb 0.72 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jr5 h ALA 72 CO 0.04 0.11 -0.60 0.00 0.00 0.00 0.00 179.25 178.80 2jr5 h MET 73 N 0.73 0.00 -0.40 0.00 -0.00 -1.67 -2.98 114.93 110.60 2jr5 h MET 73 Ca 0.21 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.83 2jr5 h MET 73 Cb -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.54 2jr5 h MET 73 CO -0.07 0.60 -0.12 0.28 -0.00 0.00 0.00 176.91 177.61 2jr5 h VAL 74 N 0.00 1.25 -0.87 -0.10 2.07 -1.31 -2.59 116.25 114.70 2jr5 h VAL 74 Ca -0.01 -1.15 0.10 0.00 0.82 0.00 0.00 66.70 66.47 2jr5 h VAL 74 Cb 1.14 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 2jr5 h VAL 74 CO 0.08 0.39 0.51 -0.78 0.02 0.00 0.00 177.57 177.79 2jr5 h ASP 75 N 0.65 0.75 -0.70 0.57 3.58 -0.79 0.16 116.42 120.63 2jr5 h ASP 75 Ca 0.11 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 2jr5 h ASP 75 Cb 0.57 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 2jr5 h ASP 75 CO 0.04 0.42 0.28 0.11 -2.88 0.00 0.00 179.24 177.20 2jr5 h LYS 76 N 0.85 1.07 -0.11 0.28 1.57 -1.48 0.36 116.57 119.11 2jr5 h LYS 76 Ca 0.42 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2jr5 h LYS 76 Cb 0.39 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2jr5 h LYS 76 CO -0.25 0.88 0.02 0.82 -0.57 0.00 0.00 179.45 180.35 2jr5 h ILE 77 N 1.05 1.21 -0.79 1.86 2.04 -0.88 -2.69 117.51 119.30 2jr5 h ILE 77 Ca 0.24 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2jr5 h ILE 77 Cb 0.21 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2jr5 h ILE 77 CO -0.02 0.19 0.46 0.58 0.00 0.00 0.00 178.15 179.36 2jr5 h VAL 78 N -0.03 1.22 -0.51 1.67 2.07 -0.45 0.16 116.25 120.39 2jr5 h VAL 78 Ca 0.04 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2jr5 h VAL 78 Cb 0.27 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2jr5 h VAL 78 CO 0.00 0.24 0.31 0.00 0.02 0.00 0.00 177.57 178.15 2jr5 h ALA 79 N 1.41 0.65 -0.16 1.67 0.00 -0.80 0.31 119.26 122.34 2jr5 h ALA 79 Ca 0.28 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2jr5 h ALA 79 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2jr5 h ALA 79 CO -0.05 0.03 -0.61 1.25 0.00 0.00 0.00 179.25 179.87 2jr5 h HIS 80 N 0.63 0.70 -0.45 0.00 6.17 -1.14 -3.14 115.15 117.92 2jr5 h HIS 80 Ca 0.20 -0.27 -0.04 0.00 0.71 0.00 0.00 60.37 60.97 2jr5 h HIS 80 Cb -0.01 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 29.78 2jr5 h HIS 80 CO -0.06 1.01 0.12 -0.97 0.71 0.00 0.00 177.93 178.75 2jr5 h ASN 81 N 0.41 0.68 -0.62 3.26 -1.24 -0.40 -2.54 115.58 115.12 2jr5 h ASN 81 Ca -0.00 -0.22 0.07 0.00 0.71 0.00 0.00 56.30 56.85 2jr5 h ASN 81 Cb 1.16 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 40.00 2jr5 h ASN 81 CO 0.11 0.72 0.41 0.25 -1.29 0.00 0.00 177.43 177.64 2jr5 h LEU 82 N 0.60 0.51 0.13 0.34 6.46 -0.40 -1.93 115.31 121.02 2jr5 h LEU 82 Ca 0.14 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2jr5 h LEU 82 Cb 0.30 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2jr5 h LEU 82 CO -0.00 0.33 -0.06 -1.28 -0.62 0.00 0.00 178.44 176.80 2jr5 h SER 83 N 0.58 -0.15 0.70 1.25 0.87 -1.41 0.33 113.55 115.72 2jr5 h SER 83 Ca 0.27 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2jr5 h SER 83 Cb 0.32 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2jr5 h SER 83 CO -0.08 0.06 -0.12 0.07 -0.53 0.00 0.00 176.83 176.23 2jr5 h LYS 84 N -0.36 0.00 0.06 2.24 2.10 -1.27 0.16 116.57 119.50 2jr5 h LYS 84 Ca -0.02 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.40 2jr5 h LYS 84 Cb 0.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2jr5 h LYS 84 CO 0.03 0.12 -1.10 0.28 -2.00 0.00 0.00 179.45 176.78 2jr5 h VAL 85 N 0.00 1.61 0.00 0.07 2.07 -1.11 -3.10 116.25 115.79 2jr5 h VAL 85 Ca -0.00 -3.22 -0.15 0.00 0.82 0.00 0.00 66.70 64.15 2jr5 h VAL 85 Cb 0.50 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 2jr5 h VAL 85 CO 0.02 0.93 -0.73 0.08 0.02 0.00 0.00 177.57 177.88 2jr5 h ARG 86 N 0.04 0.00 -0.29 1.57 0.11 0.08 -3.05 114.38 112.84 2jr5 h ARG 86 Ca -0.07 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.90 2jr5 h ARG 86 Cb 1.84 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.91 2jr5 h ARG 86 CO 0.16 0.70 -0.26 -0.07 0.10 0.00 0.00 179.97 180.60 2jr5 h LEU 87 N 0.00 0.72 0.00 0.08 3.38 -1.08 -3.45 115.31 114.97 2jr5 h LEU 87 Ca -0.01 -0.46 -0.32 0.00 0.09 0.00 0.00 57.88 57.17 2jr5 h LEU 87 Cb 1.55 -0.20 0.07 0.00 0.09 0.00 0.00 40.66 42.17 2jr5 h LEU 87 CO 0.09 1.03 0.12 -0.62 0.09 0.00 0.00 178.44 179.15 2jr5 n GLU 88 N -4.30 -0.07 -2.93 1.13 -0.58 -1.17 -5.00 120.64 107.72 2jr5 n GLU 88 Ca -0.04 -1.84 -0.44 0.00 -0.42 0.00 0.00 57.16 54.43 2jr5 n GLU 88 Cb 0.45 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 2jr5 n GLU 88 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jr5 n HIS 89 N -2.57 4.18 0.00 -0.32 8.25 -1.26 -4.87 115.22 118.63 2jr5 n HIS 89 Ca 0.12 -3.26 0.00 0.00 -0.26 0.00 0.00 57.72 54.32 2jr5 n HIS 89 Cb 0.42 -1.86 0.00 0.00 1.12 0.00 0.00 29.99 29.66 2jr5 n HIS 89 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jr5 n HIS 90 N 3.78 0.00 -0.67 4.41 -0.00 -1.16 -4.92 115.22 116.66 2jr5 n HIS 90 Ca 0.32 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.58 2jr5 n HIS 90 Cb 0.39 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.21 2jr5 n HIS 90 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jr5 n HIS 91 N 0.00 -1.78 -2.65 1.57 8.25 -1.26 -4.95 115.22 114.39 2jr5 n HIS 91 Ca 0.00 0.98 -0.02 0.00 -0.26 0.00 0.00 57.72 58.42 2jr5 n HIS 91 Cb 0.00 -1.62 0.00 0.00 1.12 0.00 0.00 29.99 29.49 2jr5 n HIS 91 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jr5 n HIS 92 N -3.12 -2.40 0.57 4.41 8.25 -1.26 -4.97 115.22 116.69 2jr5 n HIS 92 Ca -0.04 0.93 0.11 0.00 -0.26 0.00 0.00 57.72 58.46 2jr5 n HIS 92 Cb 0.32 -3.51 -0.08 0.00 1.12 0.00 0.00 29.99 27.84 2jr5 n HIS 92 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jr5 n HIS 93 N -1.25 0.09 -1.12 4.41 -0.00 -1.26 -5.30 115.22 110.79 2jr5 n HIS 93 Ca 0.03 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2jr5 n HIS 93 Cb 0.46 -0.29 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 2jr5 n HIS 93 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38