#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 0.05 -2.74 0.03 -0.02 -1.26 -3.94 135.00 127.12 2jr2 n PRO 2 Ca 0.00 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 2jr2 n PRO 2 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2jr2 n PRO 2 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jr2 s ILE 3 N -3.07 4.27 -0.54 4.25 1.01 -1.26 -4.54 121.20 121.32 2jr2 s ILE 3 Ca 0.08 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 2jr2 s ILE 3 Cb 0.11 -4.90 0.03 0.00 0.01 0.00 0.00 42.46 37.71 2jr2 s ILE 3 CO 0.35 -1.71 0.64 0.52 0.00 0.00 0.00 174.94 174.74 2jr2 n VAL 4 N 6.20 -6.72 -0.06 2.92 0.31 -1.26 -4.88 118.33 114.83 2jr2 n VAL 4 Ca 0.24 0.27 -0.03 0.00 -0.01 0.00 0.00 64.34 64.81 2jr2 n VAL 4 Cb 0.50 -4.97 0.21 0.00 -0.91 0.00 0.00 33.84 28.66 2jr2 n VAL 4 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2jr2 h SER 5 N 1.47 0.64 0.00 4.52 0.02 -1.80 -3.46 113.55 114.93 2jr2 h SER 5 Ca -0.34 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2jr2 h SER 5 Cb 1.24 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2jr2 h SER 5 CO 0.25 0.73 0.00 0.29 -1.14 0.00 0.00 176.83 176.96 2jr2 n LYS 6 N -4.22 -0.46 0.00 3.45 5.02 -1.26 -4.83 118.16 115.85 2jr2 n LYS 6 Ca 0.02 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2jr2 n LYS 6 Cb 0.29 -3.75 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jr2 n TYR 7 N -2.22 -0.52 -3.32 2.13 4.01 -1.26 -4.56 117.16 111.42 2jr2 n TYR 7 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2jr2 n TYR 7 Cb 0.12 0.14 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 2jr2 n TYR 7 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2jr2 s SER 8 N -4.00 6.68 0.42 7.72 1.04 -1.26 -4.96 113.70 119.34 2jr2 s SER 8 Ca 0.00 0.81 0.16 0.00 0.48 0.00 0.00 55.95 57.40 2jr2 s SER 8 Cb 0.00 -2.28 1.06 0.00 0.10 0.00 0.00 66.02 64.89 2jr2 s SER 8 CO 0.00 0.01 1.90 0.78 0.98 0.00 0.00 173.24 176.90 2jr2 h ASN 9 N 6.71 0.40 0.52 7.02 2.35 -1.97 -1.56 115.58 129.05 2jr2 h ASN 9 Ca -0.41 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.34 2jr2 h ASN 9 Cb 1.18 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2jr2 h ASN 9 CO 0.76 0.19 -0.26 -0.08 -1.65 0.00 0.00 177.43 176.39 2jr2 h GLU 10 N 0.42 -0.69 -0.43 0.81 4.81 -1.96 -2.55 114.58 114.99 2jr2 h GLU 10 Ca 0.40 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 2jr2 h GLU 10 Cb 0.94 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 2jr2 h GLU 10 CO -0.14 -0.46 0.25 -0.09 -0.73 0.00 0.00 179.01 177.84 2jr2 h ARG 11 N -0.71 0.48 -0.01 1.92 2.43 -1.72 0.86 114.38 117.63 2jr2 h ARG 11 Ca -0.07 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2jr2 h ARG 11 Cb 0.55 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2jr2 h ARG 11 CO 0.11 0.32 -0.20 0.28 -1.51 0.00 0.00 179.97 178.97 2jr2 h VAL 12 N 0.50 0.52 0.00 0.20 2.07 -1.33 -0.77 116.25 117.44 2jr2 h VAL 12 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2jr2 h VAL 12 Cb 0.03 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2jr2 h VAL 12 CO -0.09 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.17 2jr2 h GLU 13 N -0.32 0.00 -0.13 1.57 5.08 -1.29 -2.51 114.58 116.99 2jr2 h GLU 13 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2jr2 h GLU 13 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jr2 h GLU 13 CO -0.20 0.00 0.03 -0.22 -1.00 0.00 0.00 179.01 177.62 2jr2 h LYS 14 N 0.00 0.20 -0.13 2.33 3.64 -0.09 -0.70 116.57 121.83 2jr2 h LYS 14 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2jr2 h LYS 14 Cb 0.77 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2jr2 h LYS 14 CO 0.00 0.38 0.06 0.82 -2.27 0.00 0.00 179.45 178.44 2jr2 h ILE 15 N -0.00 1.00 -0.23 2.00 2.04 -0.94 0.95 117.51 122.32 2jr2 h ILE 15 Ca 0.04 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2jr2 h ILE 15 Cb 0.27 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2jr2 h ILE 15 CO 0.00 0.02 -0.04 0.40 0.00 0.00 0.00 178.15 178.54 2jr2 h ILE 16 N 0.14 0.79 -0.66 -0.67 2.04 -1.44 0.04 117.51 117.75 2jr2 h ILE 16 Ca 0.05 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 2jr2 h ILE 16 Cb 0.01 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2jr2 h ILE 16 CO -0.03 0.00 0.16 -0.61 0.00 0.00 0.00 178.15 177.67 2jr2 h GLN 17 N 0.02 1.05 -0.48 2.37 5.75 -0.85 0.34 115.11 123.32 2jr2 h GLN 17 Ca 0.11 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.27 2jr2 h GLN 17 Cb 0.16 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2jr2 h GLN 17 CO -0.22 0.94 -0.04 0.22 -2.65 0.00 0.00 178.83 177.09 2jr2 h ASP 18 N 0.98 0.80 -0.27 -0.69 3.58 -0.45 0.11 116.42 120.47 2jr2 h ASP 18 Ca 0.21 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2jr2 h ASP 18 Cb 0.37 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2jr2 h ASP 18 CO 0.00 0.89 0.03 -0.07 -2.88 0.00 0.00 179.24 177.21 2jr2 h LEU 19 N 0.76 0.44 -1.43 2.28 3.38 -0.66 -2.53 115.31 117.55 2jr2 h LEU 19 Ca 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2jr2 h LEU 19 Cb 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2jr2 h LEU 19 CO 0.03 0.60 0.16 -0.07 0.09 0.00 0.00 178.44 179.25 2jr2 h LEU 20 N 0.26 0.49 -0.48 1.67 3.38 -0.53 -1.89 115.31 118.20 2jr2 h LEU 20 Ca 0.08 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2jr2 h LEU 20 Cb 0.36 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2jr2 h LEU 20 CO 0.01 0.44 0.12 -0.78 0.09 0.00 0.00 178.44 178.32 2jr2 h ASP 21 N 0.54 0.73 -0.73 -0.43 3.58 -0.61 -0.06 116.42 119.44 2jr2 h ASP 21 Ca 0.14 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.37 2jr2 h ASP 21 Cb 0.10 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 2jr2 h ASP 21 CO -0.01 0.77 0.47 0.58 -2.88 0.00 0.00 179.24 178.17 2jr2 h VAL 22 N 0.66 1.14 -0.43 2.25 2.07 -1.00 0.33 116.25 121.27 2jr2 h VAL 22 Ca 0.15 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2jr2 h VAL 22 Cb 0.32 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2jr2 h VAL 22 CO 0.00 0.17 0.20 -0.07 0.02 0.00 0.00 177.57 177.90 2jr2 h LEU 23 N 0.94 0.56 -0.42 2.57 3.38 -0.83 0.14 115.31 121.65 2jr2 h LEU 23 Ca 0.28 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2jr2 h LEU 23 Cb -0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2jr2 h LEU 23 CO -0.08 0.54 -0.79 1.62 0.09 0.00 0.00 178.44 179.81 2jr2 h VAL 24 N 0.55 1.52 -0.66 1.22 3.04 -0.76 -1.02 116.25 120.14 2jr2 h VAL 24 Ca 0.15 -2.59 -0.08 0.00 -1.01 0.00 0.00 66.70 63.17 2jr2 h VAL 24 Cb 0.12 2.41 -0.03 0.00 -2.01 0.00 0.00 31.29 31.79 2jr2 h VAL 24 CO -0.02 0.75 0.10 0.50 -1.01 0.00 0.00 177.57 177.88 2jr2 h LYS 25 N 0.05 1.10 0.00 4.17 3.11 -0.05 -1.56 116.57 123.39 2jr2 h LYS 25 Ca -0.02 -0.30 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 2jr2 h LYS 25 Cb 1.39 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 2jr2 h LYS 25 CO 0.11 1.02 0.00 0.39 -2.81 0.00 0.00 179.45 178.16 2jr2 n GLU 26 N -4.21 0.04 -3.53 1.90 -0.58 0.45 -4.92 120.64 109.79 2jr2 n GLU 26 Ca 0.04 0.10 -0.22 0.00 -0.42 0.00 0.00 57.16 56.66 2jr2 n GLU 26 Cb 0.30 -1.55 0.08 0.00 -0.57 0.00 0.00 31.44 29.70 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 -1.62 -7.50 -2.49 3.49 1.02 -0.53 -4.93 120.64 108.07 2jr2 n GLU 27 Ca 0.06 0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 57.61 2jr2 n GLU 27 Cb 0.31 -5.83 -0.04 0.00 -0.02 0.00 0.00 31.44 25.86 2jr2 n GLU 27 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2jr2 s VAL 28 N -3.33 3.88 0.33 2.62 -7.23 -0.50 -5.01 120.40 111.16 2jr2 s VAL 28 Ca 0.42 1.57 -0.27 0.00 -1.81 0.00 0.00 61.98 61.89 2jr2 s VAL 28 Cb -0.18 -4.00 -0.09 0.00 0.56 0.00 0.00 36.38 32.66 2jr2 s VAL 28 CO 0.72 0.24 1.03 -0.89 -0.31 0.00 0.00 175.10 175.90 2jr2 s THR 29 N -0.01 3.77 0.28 5.32 2.01 -1.26 -4.79 115.64 120.96 2jr2 s THR 29 Ca 0.51 1.55 -0.05 0.00 0.31 0.00 0.00 61.69 64.01 2jr2 s THR 29 Cb -0.30 -3.90 0.41 0.00 0.01 0.00 0.00 72.50 68.73 2jr2 s THR 29 CO 0.34 0.20 1.57 -0.65 -0.69 0.00 0.00 174.62 175.39 2jr2 h PRO 30 N 3.21 0.01 -0.02 4.92 0.11 -1.98 0.44 132.00 138.69 2jr2 h PRO 30 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jr2 h PRO 30 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jr2 h PRO 30 CO 0.65 0.01 0.01 -0.44 -0.21 0.00 0.00 178.00 178.02 2jr2 h ASP 31 N 0.01 0.02 -0.70 -2.05 3.32 -2.00 -0.59 116.42 114.43 2jr2 h ASP 31 Ca 0.50 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.54 2jr2 h ASP 31 Cb 0.87 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 2jr2 h ASP 31 CO -0.94 0.04 0.46 0.25 -1.72 0.00 0.00 179.24 177.34 2jr2 h LEU 32 N 0.00 0.80 -1.02 1.55 5.85 -1.39 -2.50 115.31 118.59 2jr2 h LEU 32 Ca 0.01 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2jr2 h LEU 32 Cb 0.02 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 2jr2 h LEU 32 CO -0.00 0.57 0.66 0.00 -0.34 0.00 0.00 178.44 179.33 2jr2 h ALA 33 N 1.27 1.31 -0.36 1.25 0.00 0.22 0.68 119.26 123.63 2jr2 h ALA 33 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jr2 h ALA 33 Cb -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 2jr2 h ALA 33 CO -0.06 0.62 0.23 -0.07 0.00 0.00 0.00 179.25 179.96 2jr2 h LEU 34 N 1.32 0.43 -1.10 0.00 3.38 -0.73 0.37 115.31 118.98 2jr2 h LEU 34 Ca 0.38 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 2jr2 h LEU 34 Cb -0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2jr2 h LEU 34 CO -0.10 0.33 0.08 -0.03 0.09 0.00 0.00 178.44 178.82 2jr2 h MET 35 N 0.48 0.72 0.01 1.13 4.05 -0.91 -0.21 114.93 120.20 2jr2 h MET 35 Ca 0.13 -0.15 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2jr2 h MET 35 Cb -0.02 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2jr2 h MET 35 CO -0.03 0.68 -0.01 0.00 0.23 0.00 0.00 176.91 177.79 2jr2 h LEU 37 N -0.78 -0.06 -1.44 0.00 3.38 -0.22 -0.60 115.31 115.59 2jr2 h LEU 37 Ca -0.00 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2jr2 h LEU 37 Cb 0.74 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2jr2 h LEU 37 CO 0.00 0.07 0.38 1.23 0.09 0.00 0.00 178.44 180.22 2jr2 h GLY 38 N -0.20 0.81 1.02 0.83 0.00 -1.18 0.25 103.07 104.60 2jr2 h GLY 38 Ca -0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 2jr2 h GLY 38 CO 0.01 0.30 -0.15 -0.57 0.00 0.00 0.00 176.54 176.12 2jr2 h ASN 39 N 0.78 0.86 -0.50 0.19 -0.73 -1.28 -0.57 115.58 114.33 2jr2 h ASN 39 Ca 0.21 -0.39 -0.04 0.00 1.87 0.00 0.00 56.30 57.95 2jr2 h ASN 39 Cb -0.09 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.24 2jr2 h ASN 39 CO -0.05 1.05 0.15 0.00 -0.37 0.00 0.00 177.43 178.21 2jr2 h ALA 40 N 0.84 0.65 -0.86 1.57 0.00 -0.20 -2.59 119.26 118.67 2jr2 h ALA 40 Ca 0.10 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jr2 h ALA 40 Cb 0.70 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2jr2 h ALA 40 CO 0.05 0.32 0.54 0.28 0.00 0.00 0.00 179.25 180.43 2jr2 h VAL 41 N 0.67 1.07 -0.72 0.00 2.07 -0.36 -1.10 116.25 117.88 2jr2 h VAL 41 Ca 0.16 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.42 2jr2 h VAL 41 Cb 0.28 -0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 2jr2 h VAL 41 CO -0.00 0.18 0.38 0.74 0.02 0.00 0.00 177.57 178.89 2jr2 h THR 42 N 1.00 0.89 -0.02 2.57 2.02 -0.73 0.21 112.91 118.85 2jr2 h THR 42 Ca 0.37 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 67.18 2jr2 h THR 42 Cb 0.12 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2jr2 h THR 42 CO -0.16 0.12 -0.65 0.78 0.37 0.00 0.00 175.52 175.98 2jr2 h ASN 43 N 0.66 0.12 -0.31 4.18 2.35 -1.03 -1.37 115.58 120.17 2jr2 h ASN 43 Ca 0.35 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 2jr2 h ASN 43 Cb 0.32 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2jr2 h ASN 43 CO -0.24 0.74 -0.26 0.40 -1.65 0.00 0.00 177.43 176.42 2jr2 h ILE 44 N 0.07 1.30 0.00 2.81 1.08 -0.29 -2.76 117.51 119.71 2jr2 h ILE 44 Ca -0.01 -1.41 -0.04 0.00 -0.39 0.00 0.00 64.86 63.01 2jr2 h ILE 44 Cb 1.16 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.43 2jr2 h ILE 44 CO 0.09 0.46 -0.20 0.40 -0.69 0.00 0.00 178.15 178.21 2jr2 h ILE 45 N 0.47 0.70 0.00 -0.67 2.04 -0.50 -1.55 117.51 118.00 2jr2 h ILE 45 Ca 0.05 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2jr2 h ILE 45 Cb 0.82 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2jr2 h ILE 45 CO 0.07 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.41 2jr2 h ALA 46 N 1.80 1.00 -0.01 1.87 0.00 -0.95 -0.25 119.26 122.72 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jr2 h ALA 46 CO 0.03 0.00 -0.22 1.04 0.00 0.00 0.00 179.25 180.09 2jr2 n GLN 47 N -2.62 0.87 -3.42 0.00 6.02 -0.59 -4.85 117.38 112.81 2jr2 n GLN 47 Ca 0.01 -0.49 -0.38 0.00 -0.01 0.00 0.00 57.00 56.12 2jr2 n GLN 47 Cb 0.22 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 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 -2.47 5.03 0.47 5.09 1.01 -0.11 -5.06 120.40 124.37 2jr2 s VAL 48 Ca 0.26 0.92 -0.24 0.00 0.00 0.00 0.00 61.98 62.92 2jr2 s VAL 48 Cb 0.19 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 2jr2 s VAL 48 CO 0.50 0.50 1.31 -2.16 0.00 0.00 0.00 175.10 175.26 2jr2 s PRO 49 N -0.58 3.59 0.47 2.72 0.04 -1.26 -4.74 135.00 135.24 2jr2 s PRO 49 Ca 0.25 2.15 0.23 0.00 0.04 0.00 0.00 61.00 63.67 2jr2 s PRO 49 Cb -0.17 -2.50 1.26 0.00 0.04 0.00 0.00 34.50 33.14 2jr2 s PRO 49 CO 0.13 -0.80 1.89 1.49 0.04 0.00 0.00 177.00 179.75 2jr2 h GLU 50 N 2.07 0.21 -0.78 4.56 4.57 -1.97 -1.05 114.58 122.18 2jr2 h GLU 50 Ca -0.50 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 57.80 2jr2 h GLU 50 Cb 1.27 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.76 2jr2 h GLU 50 CO 0.60 0.14 0.52 1.03 -1.18 0.00 0.00 179.01 180.11 2jr2 h SER 51 N 0.22 0.52 0.00 1.04 0.87 -2.03 -2.44 113.55 111.72 2jr2 h SER 51 Ca 0.42 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2jr2 h SER 51 Cb 1.33 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2jr2 h SER 51 CO -0.10 0.28 0.00 2.29 -0.53 0.00 0.00 176.83 178.77 2jr2 n LYS 52 N -4.50 0.25 -0.07 2.24 2.85 -0.72 -4.76 118.16 113.46 2jr2 n LYS 52 Ca 0.14 -0.75 -0.08 0.00 -1.05 0.00 0.00 58.31 56.57 2jr2 n LYS 52 Cb 0.45 -0.95 0.08 0.00 -0.65 0.00 0.00 35.03 33.97 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 0.73 -0.06 -1.58 2.43 -0.70 -1.05 114.38 114.14 2jr2 h ARG 53 Ca 0.00 -0.32 -0.24 0.00 -0.81 0.00 0.00 59.98 58.61 2jr2 h ARG 53 Cb 0.21 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2jr2 h ARG 53 CO 0.00 0.93 -0.92 0.28 -1.51 0.00 0.00 179.97 178.76 2jr2 h VAL 54 N 0.62 1.30 -0.57 0.20 2.07 -1.86 -3.11 116.25 114.91 2jr2 h VAL 54 Ca 0.08 -2.17 -0.04 0.00 0.82 0.00 0.00 66.70 65.38 2jr2 h VAL 54 Cb 0.80 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2jr2 h VAL 54 CO 0.07 0.67 0.18 0.00 0.02 0.00 0.00 177.57 178.51 2jr2 h ALA 55 N 0.54 0.74 -0.45 1.67 0.00 -1.81 -2.56 119.26 117.40 2jr2 h ALA 55 Ca -0.09 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2jr2 h ALA 55 Cb 1.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2jr2 h ALA 55 CO 0.18 0.40 -0.22 -0.39 0.00 0.00 0.00 179.25 179.22 2jr2 h VAL 56 N 0.79 1.27 -0.07 0.00 -1.51 -1.27 -2.35 116.25 113.12 2jr2 h VAL 56 Ca 0.18 -1.37 -0.13 0.00 -1.23 0.00 0.00 66.70 64.16 2jr2 h VAL 56 Cb 0.27 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 2jr2 h VAL 56 CO -0.01 0.47 -0.53 1.62 -1.23 0.00 0.00 177.57 177.89 2jr2 h VAL 57 N 0.79 1.36 -0.02 7.19 3.04 -1.46 0.66 116.25 127.82 2jr2 h VAL 57 Ca 0.11 -1.82 -0.01 0.00 -1.01 0.00 0.00 66.70 63.96 2jr2 h VAL 57 Cb 0.77 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 2jr2 h VAL 57 CO 0.06 0.53 -0.04 -0.78 -1.01 0.00 0.00 177.57 176.33 2jr2 h ASP 58 N 0.14 0.08 -0.64 3.17 3.58 -1.37 -2.21 116.42 119.17 2jr2 h ASP 58 Ca 0.00 -0.57 -0.04 0.00 0.42 0.00 0.00 57.03 56.84 2jr2 h ASP 58 Cb 0.99 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 2jr2 h ASP 58 CO 0.08 0.63 0.26 0.78 -2.88 0.00 0.00 179.24 178.10 2jr2 h ASN 59 N -0.47 0.91 -0.06 2.28 2.35 -1.38 0.25 115.58 119.46 2jr2 h ASN 59 Ca 0.00 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2jr2 h ASN 59 Cb 0.62 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 2jr2 h ASN 59 CO 0.01 0.82 -0.24 0.15 -1.65 0.00 0.00 177.43 176.53 2jr2 h PHE 60 N 0.97 -0.63 -0.06 1.19 3.57 -0.86 -1.30 116.94 119.82 2jr2 h PHE 60 Ca 0.23 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.55 2jr2 h PHE 60 Cb 0.20 0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.25 2jr2 h PHE 60 CO 0.02 -0.32 -0.75 1.79 -2.23 0.00 0.00 178.31 176.81 2jr2 h THR 61 N -0.34 1.33 -0.15 4.41 1.35 -1.01 -1.99 112.91 116.51 2jr2 h THR 61 Ca 0.08 -2.05 0.02 0.00 -0.55 0.00 0.00 66.41 63.91 2jr2 h THR 61 Cb 0.45 2.30 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 2jr2 h THR 61 CO -0.25 0.62 0.02 0.50 -0.25 0.00 0.00 175.52 176.16 2jr2 h LYS 62 N 0.25 0.07 -0.06 4.72 3.64 -0.48 -1.94 116.57 122.77 2jr2 h LYS 62 Ca -0.08 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 2jr2 h LYS 62 Cb 1.41 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2jr2 h LYS 62 CO 0.15 0.05 -0.55 0.00 -2.27 0.00 0.00 179.45 176.83 2jr2 h ALA 63 N 1.12 0.97 0.31 5.00 0.00 -1.29 -2.57 119.26 122.80 2jr2 h ALA 63 Ca 0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2jr2 h ALA 63 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jr2 h ALA 63 CO -0.11 0.69 -0.15 -0.07 0.00 0.00 0.00 179.25 179.61 2jr2 h LEU 64 N 0.14 -0.36 -0.57 0.00 3.38 -1.05 -0.51 115.31 116.34 2jr2 h LEU 64 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jr2 h LEU 64 Cb 1.01 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 2jr2 h LEU 64 CO 0.08 -0.25 0.34 0.11 0.09 0.00 0.00 178.44 178.82 2jr2 h LYS 65 N -0.43 0.66 -0.32 1.13 1.57 -1.31 -1.29 116.57 116.57 2jr2 h LYS 65 Ca -0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2jr2 h LYS 65 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2jr2 h LYS 65 CO 0.07 0.44 0.21 0.37 -0.57 0.00 0.00 179.45 179.96 2jr2 h GLN 66 N 0.68 0.41 -0.49 3.15 4.15 -1.30 -0.26 115.11 121.45 2jr2 h GLN 66 Ca 0.23 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.52 2jr2 h GLN 66 Cb 0.03 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2jr2 h GLN 66 CO -0.10 0.27 -0.11 0.77 -1.93 0.00 0.00 178.83 177.73 2jr2 h SER 67 N 0.43 0.95 -0.04 -0.69 0.02 -0.76 -1.99 113.55 111.47 2jr2 h SER 67 Ca 0.12 -0.36 -0.13 0.00 -0.84 0.00 0.00 61.79 60.58 2jr2 h SER 67 Cb -0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 2jr2 h SER 67 CO -0.04 1.09 -0.41 0.58 -1.14 0.00 0.00 176.83 176.91 2jr2 h VAL 68 N 0.80 1.30 -0.05 2.27 2.07 -1.11 0.06 116.25 121.59 2jr2 h VAL 68 Ca 0.13 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 2jr2 h VAL 68 Cb 0.67 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2jr2 h VAL 68 CO 0.05 0.50 0.01 0.25 0.02 0.00 0.00 177.57 178.40 2jr2 h LEU 69 N 0.46 0.07 -0.26 2.57 6.46 -0.84 -2.96 115.31 120.82 2jr2 h LEU 69 Ca 0.04 -0.21 -0.19 0.00 -0.12 0.00 0.00 57.88 57.40 2jr2 h LEU 69 Cb 0.91 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2jr2 h LEU 69 CO 0.08 0.27 -0.56 1.05 -0.62 0.00 0.00 178.44 178.66 2jr2 h GLU 70 N -0.12 0.84 -2.35 1.25 4.11 -1.35 -3.29 114.58 113.67 2jr2 h GLU 70 Ca 0.02 -0.55 -0.78 0.00 0.07 0.00 0.00 59.36 58.12 2jr2 h GLU 70 Cb 0.22 0.07 -0.22 0.00 0.50 0.00 0.00 28.75 29.33 2jr2 h GLU 70 CO -0.00 1.18 1.48 1.58 0.07 0.00 0.00 179.01 183.32 2jr2 n HIS 71 N -4.03 2.69 0.05 2.06 -0.00 0.00 -4.59 115.22 111.40 2jr2 n HIS 71 Ca -0.05 -2.62 -0.20 0.00 0.46 0.00 0.00 57.72 55.31 2jr2 n HIS 71 Cb 0.63 -1.42 -0.11 0.00 -0.12 0.00 0.00 29.99 28.98 2jr2 n HIS 71 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2jr2 h HIS 72 N 4.24 0.99 0.00 1.57 2.07 -1.60 -3.44 115.15 118.97 2jr2 h HIS 72 Ca 0.59 -0.56 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 2jr2 h HIS 72 Cb 0.31 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.19 2jr2 h HIS 72 CO 1.42 1.39 0.00 0.72 -3.07 0.00 0.00 177.93 178.40 2jr2 n HIS 73 N -3.89 0.00 -2.98 6.12 8.25 -1.26 -5.11 115.22 116.34 2jr2 n HIS 73 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 2jr2 n HIS 73 Cb 0.88 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.00 2jr2 n HIS 73 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jr2 n HIS 74 N -0.82 -3.00 0.12 4.41 -0.00 -1.26 -4.95 115.22 109.72 2jr2 n HIS 74 Ca 0.00 1.27 0.07 0.00 -0.00 0.00 0.00 57.72 59.06 2jr2 n HIS 74 Cb 0.00 -3.20 -0.10 0.00 -0.00 0.00 0.00 29.99 26.69 2jr2 n HIS 74 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jr2 n HIS 75 N 0.27 0.00 -0.97 1.57 -0.00 -1.26 -5.11 115.22 109.72 2jr2 n HIS 75 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2jr2 n HIS 75 Cb 0.37 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2jr2 n HIS 75 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38