#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr2 n PRO 2 N 0.00 0.20 -2.78 3.17 -0.04 -1.26 -5.02 135.00 129.27 2jr2 n PRO 2 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2jr2 n PRO 2 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2jr2 n PRO 2 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2jr2 s ILE 3 N -0.61 4.68 -0.42 0.52 -4.36 -1.26 -5.01 121.20 114.75 2jr2 s ILE 3 Ca 0.00 1.59 -0.24 0.00 -0.26 0.00 0.00 60.65 61.74 2jr2 s ILE 3 Cb 0.00 -4.26 0.02 0.00 1.25 0.00 0.00 42.46 39.47 2jr2 s ILE 3 CO 0.00 -0.28 0.85 0.68 0.24 0.00 0.00 174.94 176.43 2jr2 s VAL 4 N 3.22 4.60 0.26 8.37 -7.23 -1.26 -4.90 120.40 123.47 2jr2 s VAL 4 Ca 0.39 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 61.35 2jr2 s VAL 4 Cb -0.14 -4.33 0.00 0.00 0.56 0.00 0.00 36.38 32.47 2jr2 s VAL 4 CO 0.11 -0.64 0.00 -1.20 -0.31 0.00 0.00 175.10 173.06 2jr2 n SER 5 N 6.79 -5.93 -3.11 4.85 7.64 -1.26 -4.99 113.62 117.61 2jr2 n SER 5 Ca 0.05 0.50 -0.13 0.00 1.01 0.00 0.00 58.87 60.30 2jr2 n SER 5 Cb 0.48 -3.08 0.01 0.00 -1.01 0.00 0.00 64.21 60.62 2jr2 n SER 5 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jr2 n LYS 6 N -3.40 -1.92 -3.05 1.43 4.81 -1.26 -4.97 118.16 109.80 2jr2 n LYS 6 Ca -0.00 1.69 -0.28 0.00 -0.87 0.00 0.00 58.31 58.85 2jr2 n LYS 6 Cb 0.46 -4.77 -0.02 0.00 0.02 0.00 0.00 35.03 30.71 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2jr2 s TYR 7 N -2.58 3.50 0.21 5.64 2.02 -1.26 -5.02 117.35 119.86 2jr2 s TYR 7 Ca 0.17 0.76 -0.30 0.00 -0.37 0.00 0.00 57.07 57.33 2jr2 s TYR 7 Cb -0.04 -2.22 -0.09 0.00 -0.40 0.00 0.00 41.96 39.21 2jr2 s TYR 7 CO 0.79 -0.01 1.39 -1.12 -1.57 0.00 0.00 175.55 175.03 2jr2 s SER 8 N -3.48 6.76 0.46 2.29 0.01 -1.26 -4.88 113.70 113.60 2jr2 s SER 8 Ca 0.46 2.53 0.12 0.00 1.31 0.00 0.00 55.95 60.37 2jr2 s SER 8 Cb -0.10 -2.61 1.04 0.00 0.21 0.00 0.00 66.02 64.56 2jr2 s SER 8 CO 0.34 -0.63 2.08 -0.55 0.41 0.00 0.00 173.24 174.89 2jr2 h ASN 9 N 5.41 0.28 -0.43 2.44 -1.07 -1.99 -0.87 115.58 119.36 2jr2 h ASN 9 Ca -0.45 -0.00 0.01 0.00 0.07 0.00 0.00 56.30 55.92 2jr2 h ASN 9 Cb 1.21 -0.07 -0.02 0.00 -2.07 0.00 0.00 38.32 37.38 2jr2 h ASN 9 CO 0.79 0.19 0.28 -0.33 0.07 0.00 0.00 177.43 178.43 2jr2 h GLU 10 N 0.32 0.55 -0.41 4.14 5.08 -1.98 0.39 114.58 122.67 2jr2 h GLU 10 Ca 0.12 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 2jr2 h GLU 10 Cb 0.08 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2jr2 h GLU 10 CO -0.03 0.36 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.14 2jr2 h ARG 11 N 0.57 0.80 -0.07 2.33 2.43 -1.58 0.19 114.38 119.05 2jr2 h ARG 11 Ca 0.16 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2jr2 h ARG 11 Cb -0.06 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2jr2 h ARG 11 CO -0.04 0.94 -0.03 0.28 -1.51 0.00 0.00 179.97 179.61 2jr2 h VAL 12 N 0.62 0.90 0.00 0.20 2.07 -0.99 -1.33 116.25 117.71 2jr2 h VAL 12 Ca 0.10 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 2jr2 h VAL 12 Cb 0.66 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2jr2 h VAL 12 CO 0.04 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 177.01 2jr2 h GLU 13 N -0.02 0.00 0.02 1.57 5.08 -0.85 -2.28 114.58 118.11 2jr2 h GLU 13 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jr2 h GLU 13 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2jr2 h GLU 13 CO -0.08 0.30 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.99 2jr2 h LYS 14 N 0.00 -0.03 -0.52 2.33 3.64 -0.01 0.65 116.57 122.64 2jr2 h LYS 14 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2jr2 h LYS 14 Cb 0.81 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2jr2 h LYS 14 CO 0.04 0.09 0.27 0.82 -2.27 0.00 0.00 179.45 178.40 2jr2 h ILE 15 N -0.15 1.18 -0.28 2.00 2.04 -1.08 -0.28 117.51 120.94 2jr2 h ILE 15 Ca -0.00 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2jr2 h ILE 15 Cb 0.13 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2jr2 h ILE 15 CO 0.01 0.20 0.11 0.40 0.00 0.00 0.00 178.15 178.86 2jr2 h ILE 16 N 0.69 0.94 -0.56 -0.67 2.04 -1.29 -1.30 117.51 117.35 2jr2 h ILE 16 Ca 0.18 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 2jr2 h ILE 16 Cb 0.07 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2jr2 h ILE 16 CO -0.03 0.04 0.04 -0.61 0.00 0.00 0.00 178.15 177.60 2jr2 h GLN 17 N 0.24 0.94 -0.41 2.37 5.75 -0.56 -0.14 115.11 123.29 2jr2 h GLN 17 Ca 0.12 -0.25 -0.10 0.00 -0.15 0.00 0.00 58.65 58.27 2jr2 h GLN 17 Cb 0.08 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 2jr2 h GLN 17 CO -0.12 0.90 -0.15 0.22 -2.65 0.00 0.00 178.83 177.04 2jr2 h ASP 18 N 0.87 0.76 -0.18 -0.69 3.58 -0.74 0.40 116.42 120.41 2jr2 h ASP 18 Ca 0.17 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2jr2 h ASP 18 Cb 0.46 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2jr2 h ASP 18 CO 0.02 0.91 -0.01 -0.07 -2.88 0.00 0.00 179.24 177.21 2jr2 h LEU 19 N 0.68 0.32 -1.40 2.28 3.38 -0.91 -2.44 115.31 117.23 2jr2 h LEU 19 Ca 0.11 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2jr2 h LEU 19 Cb 0.63 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2jr2 h LEU 19 CO 0.04 0.57 0.07 -0.07 0.09 0.00 0.00 178.44 179.14 2jr2 h LEU 20 N 0.07 0.43 -0.69 1.67 3.38 -0.72 -2.34 115.31 117.10 2jr2 h LEU 20 Ca 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2jr2 h LEU 20 Cb 0.41 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2jr2 h LEU 20 CO 0.01 0.44 0.30 -0.78 0.09 0.00 0.00 178.44 178.51 2jr2 h ASP 21 N 0.46 0.93 -0.64 -0.43 1.82 -0.02 -0.13 116.42 118.41 2jr2 h ASP 21 Ca 0.11 -0.15 0.01 0.00 -0.39 0.00 0.00 57.03 56.60 2jr2 h ASP 21 Cb 0.20 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 39.94 2jr2 h ASP 21 CO -0.00 0.83 0.42 0.58 -1.61 0.00 0.00 179.24 179.45 2jr2 h VAL 22 N 0.97 1.17 -0.31 2.25 2.07 -0.94 0.39 116.25 121.84 2jr2 h VAL 22 Ca 0.23 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2jr2 h VAL 22 Cb 0.17 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jr2 h VAL 22 CO -0.02 0.16 0.18 -0.07 0.02 0.00 0.00 177.57 177.84 2jr2 h LEU 23 N 0.86 0.38 -0.58 2.57 3.38 -0.94 -1.62 115.31 119.37 2jr2 h LEU 23 Ca 0.23 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 2jr2 h LEU 23 Cb -0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2jr2 h LEU 23 CO -0.05 0.33 -0.50 0.58 0.09 0.00 0.00 178.44 178.89 2jr2 h VAL 24 N 0.39 1.32 -0.86 1.22 2.07 -0.85 -1.44 116.25 118.10 2jr2 h VAL 24 Ca 0.11 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 65.94 2jr2 h VAL 24 Cb 0.03 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2jr2 h VAL 24 CO -0.02 0.54 0.57 0.50 0.02 0.00 0.00 177.57 179.18 2jr2 h LYS 25 N 0.43 1.06 -0.01 1.57 3.64 0.13 -1.06 116.57 122.34 2jr2 h LYS 25 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jr2 h LYS 25 Cb 1.03 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2jr2 h LYS 25 CO 0.09 0.70 -0.45 0.39 -2.27 0.00 0.00 179.45 177.91 2jr2 n GLU 26 N -4.44 0.60 -3.67 1.90 -0.58 -0.64 -4.97 120.64 108.85 2jr2 n GLU 26 Ca 0.11 -0.41 -0.21 0.00 -0.42 0.00 0.00 57.16 56.23 2jr2 n GLU 26 Cb 0.09 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.52 2jr2 n GLU 26 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jr2 n GLU 27 N -0.84 -5.39 -2.27 3.49 -0.58 -0.40 -4.95 120.64 109.70 2jr2 n GLU 27 Ca 0.09 0.67 -0.34 0.00 -0.42 0.00 0.00 57.16 57.16 2jr2 n GLU 27 Cb 0.37 -5.36 -0.01 0.00 -0.57 0.00 0.00 31.44 25.87 2jr2 n GLU 27 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2jr2 s VAL 28 N -3.57 3.69 0.54 2.62 -7.23 -0.73 -5.04 120.40 110.68 2jr2 s VAL 28 Ca 0.08 0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 61.06 2jr2 s VAL 28 Cb -0.04 -3.38 -0.05 0.00 0.56 0.00 0.00 36.38 33.46 2jr2 s VAL 28 CO 0.80 -0.34 0.95 0.42 -0.31 0.00 0.00 175.10 176.62 2jr2 s THR 29 N -2.16 4.69 0.26 5.32 -4.23 -1.26 -4.85 115.64 113.42 2jr2 s THR 29 Ca 0.67 0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 62.02 2jr2 s THR 29 Cb -0.17 -3.81 0.24 0.00 1.34 0.00 0.00 72.50 70.10 2jr2 s THR 29 CO 0.29 -0.90 1.79 1.55 -0.54 0.00 0.00 174.62 176.81 2jr2 h PRO 30 N 0.31 0.73 0.03 3.99 0.13 -1.98 0.43 132.00 135.63 2jr2 h PRO 30 Ca -0.46 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2jr2 h PRO 30 Cb 1.19 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2jr2 h PRO 30 CO 0.62 0.48 -0.11 0.22 -0.23 0.00 0.00 178.00 178.98 2jr2 h ASP 31 N 0.75 -0.32 -0.48 1.44 3.58 -2.00 -0.73 116.42 118.66 2jr2 h ASP 31 Ca 0.45 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.88 2jr2 h ASP 31 Cb 0.53 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2jr2 h ASP 31 CO -0.30 -0.17 0.04 0.25 -2.88 0.00 0.00 179.24 176.18 2jr2 h LEU 32 N -0.21 0.79 -0.52 2.28 5.85 -1.73 -2.57 115.31 119.20 2jr2 h LEU 32 Ca 0.03 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2jr2 h LEU 32 Cb 0.25 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2jr2 h LEU 32 CO -0.09 0.88 0.32 0.00 -0.34 0.00 0.00 178.44 179.21 2jr2 h ALA 33 N 0.94 0.66 -0.76 1.25 0.00 0.01 -0.59 119.26 120.77 2jr2 h ALA 33 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jr2 h ALA 33 Cb 0.45 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2jr2 h ALA 33 CO 0.02 0.15 0.38 -0.07 0.00 0.00 0.00 179.25 179.72 2jr2 h LEU 34 N 0.70 0.99 -1.31 0.00 3.38 -1.05 0.41 115.31 118.44 2jr2 h LEU 34 Ca 0.19 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2jr2 h LEU 34 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2jr2 h LEU 34 CO -0.04 0.84 -0.34 -0.03 0.09 0.00 0.00 178.44 178.96 2jr2 h MET 35 N 1.07 0.00 0.00 1.13 4.05 -1.01 -0.06 114.93 120.11 2jr2 h MET 35 Ca 0.26 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.63 2jr2 h MET 35 Cb 0.10 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 2jr2 h MET 35 CO -0.03 0.34 -0.31 0.00 0.23 0.00 0.00 176.91 177.14 2jr2 h LEU 37 N -1.00 0.03 -1.29 0.00 3.38 -0.17 -1.40 115.31 114.86 2jr2 h LEU 37 Ca -0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2jr2 h LEU 37 Cb 1.06 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2jr2 h LEU 37 CO -0.05 0.07 0.26 1.23 0.09 0.00 0.00 178.44 180.04 2jr2 h GLY 38 N -0.01 0.80 1.08 0.83 0.00 -1.18 -0.13 103.07 104.46 2jr2 h GLY 38 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 2jr2 h GLY 38 CO -0.00 0.35 -0.02 -0.57 0.00 0.00 0.00 176.54 176.30 2jr2 h ASN 39 N 0.75 1.04 -0.29 0.19 -0.73 -1.43 0.23 115.58 115.35 2jr2 h ASN 39 Ca 0.19 -0.31 -0.04 0.00 1.87 0.00 0.00 56.30 58.01 2jr2 h ASN 39 Cb 0.08 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.37 2jr2 h ASN 39 CO -0.03 1.10 0.03 0.00 -0.37 0.00 0.00 177.43 178.17 2jr2 h ALA 40 N 0.97 0.38 -0.78 1.57 0.00 -0.58 -2.57 119.26 118.25 2jr2 h ALA 40 Ca 0.16 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jr2 h ALA 40 Cb 0.58 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2jr2 h ALA 40 CO 0.03 0.09 0.51 0.28 0.00 0.00 0.00 179.25 180.16 2jr2 h VAL 41 N 0.29 1.16 -0.69 0.00 2.07 -0.84 -2.47 116.25 115.78 2jr2 h VAL 41 Ca 0.08 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.32 2jr2 h VAL 41 Cb 0.37 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 2jr2 h VAL 41 CO 0.01 0.19 0.37 0.74 0.02 0.00 0.00 177.57 178.90 2jr2 h THR 42 N 1.02 0.94 -0.66 2.57 2.02 -0.77 -0.81 112.91 117.23 2jr2 h THR 42 Ca 0.30 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2jr2 h THR 42 Cb -0.06 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 2jr2 h THR 42 CO -0.09 0.12 0.43 -1.13 0.37 0.00 0.00 175.52 175.22 2jr2 h ASN 43 N 0.68 0.76 -0.10 4.18 -1.24 -1.04 -0.24 115.58 118.57 2jr2 h ASN 43 Ca 0.31 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 2jr2 h ASN 43 Cb 0.23 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 2jr2 h ASN 43 CO -0.20 0.56 0.01 0.40 -1.29 0.00 0.00 177.43 176.91 2jr2 h ILE 44 N 0.89 1.23 0.00 2.57 1.08 -1.02 -3.05 117.51 119.20 2jr2 h ILE 44 Ca 0.24 -0.71 -0.10 0.00 -0.39 0.00 0.00 64.86 63.90 2jr2 h ILE 44 Cb -0.09 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 2jr2 h ILE 44 CO -0.05 0.20 -0.46 0.40 -0.69 0.00 0.00 178.15 177.55 2jr2 h ILE 45 N -0.07 1.15 0.00 -0.67 2.04 -1.07 -2.75 117.51 116.14 2jr2 h ILE 45 Ca 0.03 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2jr2 h ILE 45 Cb 0.31 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2jr2 h ILE 45 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.61 2jr2 h ALA 46 N 1.54 1.00 -0.02 1.87 0.00 -0.93 -1.10 119.26 121.63 2jr2 h ALA 46 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jr2 h ALA 46 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2jr2 h ALA 46 CO 0.06 0.00 -0.08 1.04 0.00 0.00 0.00 179.25 180.27 2jr2 n GLN 47 N -2.40 1.55 -3.31 0.00 6.02 -1.04 -4.87 117.38 113.33 2jr2 n GLN 47 Ca 0.01 -0.99 -0.38 0.00 -0.01 0.00 0.00 57.00 55.63 2jr2 n GLN 47 Cb 0.19 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 2jr2 n GLN 47 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2jr2 s VAL 48 N -2.13 4.89 0.49 5.09 1.01 -0.42 -5.06 120.40 124.27 2jr2 s VAL 48 Ca 0.33 1.11 -0.23 0.00 0.00 0.00 0.00 61.98 63.19 2jr2 s VAL 48 Cb 0.20 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 2jr2 s VAL 48 CO 0.38 0.51 1.33 -2.84 0.00 0.00 0.00 175.10 174.48 2jr2 s PRO 49 N -0.73 3.47 0.58 2.72 0.02 -1.26 -4.62 135.00 135.17 2jr2 s PRO 49 Ca 0.28 2.17 0.28 0.00 0.02 0.00 0.00 61.00 63.75 2jr2 s PRO 49 Cb -0.18 -2.43 1.58 0.00 0.02 0.00 0.00 34.50 33.49 2jr2 s PRO 49 CO 0.16 -0.91 2.05 1.49 -0.33 0.00 0.00 177.00 179.47 2jr2 h GLU 50 N 1.89 0.00 -0.72 5.54 4.57 -1.96 0.14 114.58 124.04 2jr2 h GLU 50 Ca -0.50 0.00 0.19 0.00 -1.18 0.00 0.00 59.36 57.87 2jr2 h GLU 50 Cb 1.28 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 2jr2 h GLU 50 CO 0.59 0.00 0.51 0.77 -1.18 0.00 0.00 179.01 179.70 2jr2 h SER 51 N 0.00 0.08 0.00 1.04 0.02 -2.04 -3.03 113.55 109.62 2jr2 h SER 51 Ca 0.12 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2jr2 h SER 51 Cb 0.65 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2jr2 h SER 51 CO -0.00 0.04 0.00 2.29 -1.14 0.00 0.00 176.83 178.02 2jr2 n LYS 52 N -4.36 -0.22 0.07 3.45 2.85 -0.44 -4.79 118.16 114.72 2jr2 n LYS 52 Ca 0.14 -0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 2jr2 n LYS 52 Cb 0.73 -0.61 -0.09 0.00 -0.65 0.00 0.00 35.03 34.41 2jr2 n LYS 52 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2jr2 h ARG 53 N 0.00 -0.20 -0.15 -1.58 2.43 -0.66 0.14 114.38 114.36 2jr2 h ARG 53 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2jr2 h ARG 53 Cb 0.38 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2jr2 h ARG 53 CO 0.00 0.17 0.02 0.28 -1.51 0.00 0.00 179.97 178.93 2jr2 h VAL 54 N -0.62 1.09 0.23 0.20 2.07 -1.84 -1.84 116.25 115.55 2jr2 h VAL 54 Ca -0.02 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2jr2 h VAL 54 Cb 0.46 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2jr2 h VAL 54 CO 0.03 0.11 -0.11 0.00 0.02 0.00 0.00 177.57 177.63 2jr2 h ALA 55 N 1.81 -0.31 -0.46 1.67 0.00 -1.78 -1.88 119.26 118.31 2jr2 h ALA 55 Ca 0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2jr2 h ALA 55 Cb 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jr2 h ALA 55 CO 0.00 -0.49 -0.00 -0.39 0.00 0.00 0.00 179.25 178.36 2jr2 h VAL 56 N -0.67 1.24 0.00 0.00 -1.51 -0.51 -0.19 116.25 114.61 2jr2 h VAL 56 Ca -0.03 -0.98 -0.09 0.00 -1.23 0.00 0.00 66.70 64.36 2jr2 h VAL 56 Cb 0.47 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 2jr2 h VAL 56 CO 0.05 0.35 -0.43 1.62 -1.23 0.00 0.00 177.57 177.93 2jr2 h VAL 57 N 0.71 1.00 -0.03 7.19 3.04 -1.40 -0.02 116.25 126.75 2jr2 h VAL 57 Ca 0.14 -1.67 -0.09 0.00 -1.01 0.00 0.00 66.70 64.07 2jr2 h VAL 57 Cb 0.44 1.99 0.01 0.00 -2.01 0.00 0.00 31.29 31.71 2jr2 h VAL 57 CO 0.02 0.42 -0.34 -0.78 -1.01 0.00 0.00 177.57 175.88 2jr2 h ASP 58 N 0.00 0.35 -0.82 3.17 1.82 -0.61 -2.09 116.42 118.24 2jr2 h ASP 58 Ca -0.00 -0.71 -0.04 0.00 -0.39 0.00 0.00 57.03 55.89 2jr2 h ASP 58 Cb 0.95 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.82 2jr2 h ASP 58 CO 0.06 1.01 0.37 0.78 -1.61 0.00 0.00 179.24 179.85 2jr2 h ASN 59 N -0.27 1.10 0.01 2.28 2.35 -0.99 0.48 115.58 120.53 2jr2 h ASN 59 Ca -0.03 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2jr2 h ASN 59 Cb 1.04 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 2jr2 h ASN 59 CO 0.07 0.94 -0.16 0.15 -1.65 0.00 0.00 177.43 176.79 2jr2 h PHE 60 N 1.17 -0.40 -0.31 1.19 3.57 -1.00 0.13 116.94 121.29 2jr2 h PHE 60 Ca 0.28 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.66 2jr2 h PHE 60 Cb 0.16 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2jr2 h PHE 60 CO 0.02 -0.23 -0.35 1.79 -2.23 0.00 0.00 178.31 177.31 2jr2 h THR 61 N -0.26 1.28 0.02 4.41 1.35 -1.13 -0.90 112.91 117.68 2jr2 h THR 61 Ca 0.05 -1.49 -0.00 0.00 -0.55 0.00 0.00 66.41 64.41 2jr2 h THR 61 Cb 0.32 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2jr2 h THR 61 CO -0.15 0.48 -0.01 0.50 -0.25 0.00 0.00 175.52 176.10 2jr2 h LYS 62 N 0.59 -0.02 -0.72 4.72 3.64 -0.71 -2.53 116.57 121.53 2jr2 h LYS 62 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2jr2 h LYS 62 Cb 0.87 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 2jr2 h LYS 62 CO 0.08 0.08 0.46 0.00 -2.27 0.00 0.00 179.45 177.79 2jr2 h ALA 63 N 0.86 1.45 0.47 5.00 0.00 -0.55 -1.89 119.26 124.61 2jr2 h ALA 63 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2jr2 h ALA 63 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jr2 h ALA 63 CO 0.00 0.49 -0.30 -0.07 0.00 0.00 0.00 179.25 179.38 2jr2 h LEU 64 N 0.98 -0.76 -0.90 0.00 3.38 -1.03 0.25 115.31 117.23 2jr2 h LEU 64 Ca 0.26 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.33 2jr2 h LEU 64 Cb -0.08 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2jr2 h LEU 64 CO -0.05 -0.47 0.57 0.11 0.09 0.00 0.00 178.44 178.69 2jr2 h LYS 65 N -0.74 1.04 -0.22 1.13 1.57 -1.11 0.13 116.57 118.37 2jr2 h LYS 65 Ca -0.05 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 2jr2 h LYS 65 Cb 0.61 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2jr2 h LYS 65 CO 0.05 0.69 -0.10 1.96 -0.57 0.00 0.00 179.45 181.47 2jr2 h GLN 66 N 1.07 0.45 -0.35 3.15 4.20 -1.19 -1.78 115.11 120.66 2jr2 h GLN 66 Ca 0.38 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 2jr2 h GLN 66 Cb 0.10 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2jr2 h GLN 66 CO -0.15 0.73 -0.24 1.03 -0.67 0.00 0.00 178.83 179.53 2jr2 h SER 67 N 0.16 0.70 -0.00 1.46 0.87 0.04 0.80 113.55 117.58 2jr2 h SER 67 Ca 0.05 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2jr2 h SER 67 Cb 0.59 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2jr2 h SER 67 CO 0.03 0.92 -0.00 0.58 -0.53 0.00 0.00 176.83 177.83 2jr2 h VAL 68 N 0.60 1.40 -0.06 2.23 2.07 -0.76 -2.39 116.25 119.34 2jr2 h VAL 68 Ca 0.08 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2jr2 h VAL 68 Cb 0.73 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2jr2 h VAL 68 CO 0.06 0.30 -0.04 -0.07 0.02 0.00 0.00 177.57 177.84 2jr2 h LEU 69 N -0.50 0.14 -0.34 2.57 3.38 -1.27 -3.06 115.31 116.24 2jr2 h LEU 69 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2jr2 h LEU 69 Cb 0.50 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jr2 h LEU 69 CO 0.00 0.54 0.00 1.21 0.09 0.00 0.00 178.44 180.28 2jr2 n GLU 70 N -4.78 1.22 0.06 1.13 4.07 0.27 -2.88 120.64 119.73 2jr2 n GLU 70 Ca -0.07 -0.33 0.12 0.00 -0.06 0.00 0.00 57.16 56.82 2jr2 n GLU 70 Cb 0.26 -1.19 0.48 0.00 -0.06 0.00 0.00 31.44 30.93 2jr2 n GLU 70 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2jr2 n HIS 71 N -0.34 0.51 -3.82 4.31 -0.00 -0.90 -4.37 115.22 110.61 2jr2 n HIS 71 Ca 0.09 0.16 -0.30 0.00 0.46 0.00 0.00 57.72 58.13 2jr2 n HIS 71 Cb 0.11 -0.76 -0.15 0.00 -0.12 0.00 0.00 29.99 29.06 2jr2 n HIS 71 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jr2 s HIS 72 N -3.09 1.97 0.02 1.57 0.00 -1.14 -5.10 115.29 109.52 2jr2 s HIS 72 Ca 0.10 -1.69 -0.25 0.00 -3.00 0.00 0.00 55.06 50.22 2jr2 s HIS 72 Cb 0.14 -1.66 -0.05 0.00 -4.00 0.00 0.00 32.58 27.01 2jr2 s HIS 72 CO 0.50 -0.80 0.76 -1.01 -1.00 0.00 0.00 174.74 173.19 2jr2 s HIS 73 N 1.53 3.70 -0.06 0.38 0.09 -1.26 -4.99 115.29 114.68 2jr2 s HIS 73 Ca 0.03 1.44 -0.32 0.00 -0.00 0.00 0.00 55.06 56.21 2jr2 s HIS 73 Cb -0.18 -2.83 -0.10 0.00 -0.00 0.00 0.00 32.58 29.47 2jr2 s HIS 73 CO -0.14 0.22 1.97 -2.39 -0.00 0.00 0.00 174.74 174.40 2jr2 n HIS 74 N 3.06 2.34 1.43 1.40 1.44 -1.26 -4.81 115.22 118.82 2jr2 n HIS 74 Ca -0.02 -0.17 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 2jr2 n HIS 74 Cb 0.50 -2.73 0.00 0.00 0.12 0.00 0.00 29.99 27.89 2jr2 n HIS 74 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jr2 n HIS 75 N 7.72 0.00 -1.64 -1.40 -0.00 -1.26 -5.30 115.22 113.35 2jr2 n HIS 75 Ca 0.23 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.41 2jr2 n HIS 75 Cb 0.36 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 2jr2 n HIS 75 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41