#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr2 s PRO 2 N 0.00 3.44 0.47 0.03 0.02 -1.26 -5.05 135.00 132.64 2jr2 s PRO 2 Ca 0.00 1.36 -0.04 0.00 0.02 0.00 0.00 61.00 62.34 2jr2 s PRO 2 Cb 0.00 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 2jr2 s PRO 2 CO 0.00 -0.74 0.76 -1.50 -0.33 0.00 0.00 177.00 175.19 2jr2 s ILE 3 N -2.14 4.89 -0.99 2.83 2.07 -1.26 -4.95 121.20 121.65 2jr2 s ILE 3 Ca 0.67 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 60.01 2jr2 s ILE 3 Cb -0.18 -3.85 0.00 0.00 0.13 0.00 0.00 42.46 38.56 2jr2 s ILE 3 CO 0.29 -0.80 0.35 1.33 -1.91 0.00 0.00 174.94 174.20 2jr2 n VAL 4 N -2.21 0.01 0.19 4.00 0.24 -1.26 -3.59 118.33 115.71 2jr2 n VAL 4 Ca -0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 2jr2 n VAL 4 Cb 0.55 -0.35 0.36 0.00 -1.47 0.00 0.00 33.84 32.93 2jr2 n VAL 4 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2jr2 h SER 5 N 0.32 0.00 -0.45 -1.34 0.02 -2.04 -2.70 113.55 107.35 2jr2 h SER 5 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2jr2 h SER 5 Cb 0.35 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.76 2jr2 h SER 5 CO 0.00 0.39 0.27 1.17 -1.14 0.00 0.00 176.83 177.52 2jr2 n LYS 6 N -3.73 1.81 0.00 3.45 4.81 -1.24 -4.96 118.16 118.29 2jr2 n LYS 6 Ca -0.01 -1.47 0.00 0.00 -0.87 0.00 0.00 58.31 55.96 2jr2 n LYS 6 Cb 0.47 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.90 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jr2 n TYR 7 N -0.20 0.00 -3.65 5.64 4.01 -1.02 -4.38 117.16 117.56 2jr2 n TYR 7 Ca 0.27 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.97 2jr2 n TYR 7 Cb 1.01 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.99 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 -1.05 0.40 7.72 1.04 -1.26 -4.85 113.70 111.70 2jr2 s SER 8 Ca 0.00 1.54 0.09 0.00 0.48 0.00 0.00 55.95 58.06 2jr2 s SER 8 Cb 0.00 1.88 0.83 0.00 0.10 0.00 0.00 66.02 68.82 2jr2 s SER 8 CO 0.00 -0.23 1.96 -1.13 0.98 0.00 0.00 173.24 174.82 2jr2 h ASN 9 N 7.54 0.28 -0.83 7.02 -1.24 -2.00 -0.52 115.58 125.84 2jr2 h ASN 9 Ca -0.24 -0.04 0.12 0.00 0.71 0.00 0.00 56.30 56.85 2jr2 h ASN 9 Cb 1.16 -0.07 -0.08 0.00 0.73 0.00 0.00 38.32 40.06 2jr2 h ASN 9 CO 0.13 0.36 0.45 -0.33 -1.29 0.00 0.00 177.43 176.75 2jr2 h GLU 10 N 0.30 0.69 -0.18 6.67 5.08 -1.96 -1.09 114.58 124.09 2jr2 h GLU 10 Ca 0.07 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 2jr2 h GLU 10 Cb 0.25 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2jr2 h GLU 10 CO 0.01 0.46 -0.71 -0.09 -1.00 0.00 0.00 179.01 177.68 2jr2 h ARG 11 N 0.71 0.80 -0.11 2.33 2.43 -1.55 -2.43 114.38 116.56 2jr2 h ARG 11 Ca 0.42 -0.62 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 2jr2 h ARG 11 Cb 0.48 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 2jr2 h ARG 11 CO -0.29 1.23 -0.10 0.28 -1.51 0.00 0.00 179.97 179.57 2jr2 h VAL 12 N 0.55 0.70 -0.76 0.20 2.07 -0.61 0.25 116.25 118.65 2jr2 h VAL 12 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2jr2 h VAL 12 Cb 1.34 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2jr2 h VAL 12 CO 0.15 0.00 0.49 -0.33 0.02 0.00 0.00 177.57 177.89 2jr2 h GLU 13 N -0.13 1.01 -0.10 1.57 5.08 -1.24 -2.09 114.58 118.68 2jr2 h GLU 13 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jr2 h GLU 13 Cb 0.24 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2jr2 h GLU 13 CO -0.19 0.69 0.00 -0.22 -1.00 0.00 0.00 179.01 178.29 2jr2 h LYS 14 N 1.04 0.17 -0.75 2.33 3.64 -0.79 -2.33 116.57 119.88 2jr2 h LYS 14 Ca 0.28 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2jr2 h LYS 14 Cb -0.09 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2jr2 h LYS 14 CO -0.06 0.42 0.45 0.82 -2.27 0.00 0.00 179.45 178.81 2jr2 h ILE 15 N -0.09 1.21 -0.37 2.00 2.04 -0.24 0.40 117.51 122.45 2jr2 h ILE 15 Ca 0.03 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.44 2jr2 h ILE 15 Cb 0.34 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2jr2 h ILE 15 CO 0.00 0.22 0.24 0.40 0.00 0.00 0.00 178.15 179.02 2jr2 h ILE 16 N 1.02 1.09 -0.66 -0.67 2.04 -1.38 -0.04 117.51 118.90 2jr2 h ILE 16 Ca 0.27 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 2jr2 h ILE 16 Cb -0.04 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2jr2 h ILE 16 CO -0.05 0.09 0.18 -0.61 0.00 0.00 0.00 178.15 177.76 2jr2 h GLN 17 N 0.50 1.05 -0.78 2.37 5.75 -0.82 -1.57 115.11 121.60 2jr2 h GLN 17 Ca 0.14 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 2jr2 h GLN 17 Cb -0.05 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.32 2jr2 h GLN 17 CO -0.03 0.93 0.34 0.22 -2.65 0.00 0.00 178.83 177.63 2jr2 h ASP 18 N 0.98 1.05 -0.46 -0.69 3.58 0.24 0.31 116.42 121.42 2jr2 h ASP 18 Ca 0.21 -0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2jr2 h ASP 18 Cb 0.33 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2jr2 h ASP 18 CO -0.00 0.90 -0.02 -0.07 -2.88 0.00 0.00 179.24 177.18 2jr2 h LEU 19 N 1.12 0.82 -0.85 2.28 3.38 -0.80 -2.28 115.31 118.98 2jr2 h LEU 19 Ca 0.27 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2jr2 h LEU 19 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2jr2 h LEU 19 CO -0.03 0.93 0.31 -0.07 0.09 0.00 0.00 178.44 179.68 2jr2 h LEU 20 N 0.68 1.07 -1.58 1.67 3.38 -0.60 -2.22 115.31 117.71 2jr2 h LEU 20 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jr2 h LEU 20 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2jr2 h LEU 20 CO 0.03 0.94 -0.09 0.44 0.09 0.00 0.00 178.44 179.85 2jr2 h ASP 21 N 1.13 0.14 -0.24 -0.43 3.32 -0.20 0.58 116.42 120.73 2jr2 h ASP 21 Ca 0.26 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2jr2 h ASP 21 Cb 0.21 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2jr2 h ASP 21 CO -0.02 0.26 0.07 0.58 -1.72 0.00 0.00 179.24 178.41 2jr2 h VAL 22 N 0.15 1.19 -0.62 -1.35 2.07 -0.83 0.28 116.25 117.14 2jr2 h VAL 22 Ca 0.03 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2jr2 h VAL 22 Cb 0.27 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2jr2 h VAL 22 CO 0.01 0.20 0.28 -0.07 0.02 0.00 0.00 177.57 178.02 2jr2 h LEU 23 N 0.21 0.81 -0.28 2.57 3.38 -0.80 -0.50 115.31 120.70 2jr2 h LEU 23 Ca 0.08 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 2jr2 h LEU 23 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jr2 h LEU 23 CO -0.00 0.70 -0.86 0.58 0.09 0.00 0.00 178.44 178.94 2jr2 h VAL 24 N 0.89 1.44 -0.61 1.22 2.07 -0.81 0.42 116.25 120.86 2jr2 h VAL 24 Ca 0.22 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.25 2jr2 h VAL 24 Cb 0.12 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2jr2 h VAL 24 CO -0.03 0.72 0.21 0.50 0.02 0.00 0.00 177.57 178.99 2jr2 h LYS 25 N 0.18 0.92 0.00 1.57 3.11 0.22 -1.72 116.57 120.85 2jr2 h LYS 25 Ca -0.05 -0.17 -0.13 0.00 -2.81 0.00 0.00 60.65 57.49 2jr2 h LYS 25 Cb 1.48 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 32.54 2jr2 h LYS 25 CO 0.14 0.78 -0.60 0.93 -2.81 0.00 0.00 179.45 177.89 2jr2 h GLU 26 N 0.90 0.00 -5.32 1.90 4.39 -1.06 -3.48 114.58 111.90 2jr2 h GLU 26 Ca 0.20 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.69 2jr2 h GLU 26 Cb 0.24 0.00 0.17 0.00 -0.10 0.00 0.00 28.75 29.06 2jr2 h GLU 26 CO -0.01 0.60 -0.74 0.39 -1.16 0.00 0.00 179.01 178.09 2jr2 n GLU 27 N -3.28 -2.05 -2.18 2.33 1.02 0.06 -5.01 120.64 111.53 2jr2 n GLU 27 Ca 0.01 0.89 -0.29 0.00 -0.02 0.00 0.00 57.16 57.74 2jr2 n GLU 27 Cb 0.76 -5.61 0.01 0.00 -0.02 0.00 0.00 31.44 26.57 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 4.68 0.59 2.62 -7.23 -0.75 -5.04 120.40 111.93 2jr2 s VAL 28 Ca 0.40 0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 61.11 2jr2 s VAL 28 Cb -0.05 -3.83 0.03 0.00 0.56 0.00 0.00 36.38 33.09 2jr2 s VAL 28 CO 0.70 -0.98 0.84 0.42 -0.31 0.00 0.00 175.10 175.78 2jr2 s THR 29 N -3.02 2.82 0.25 5.32 -4.23 -1.26 -4.85 115.64 110.67 2jr2 s THR 29 Ca 0.52 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.54 2jr2 s THR 29 Cb -0.11 -3.11 0.22 0.00 1.34 0.00 0.00 72.50 70.84 2jr2 s THR 29 CO 0.50 -0.09 1.79 -0.65 -0.54 0.00 0.00 174.62 175.63 2jr2 h PRO 30 N -0.11 0.67 0.11 3.99 0.11 -1.98 0.38 132.00 135.17 2jr2 h PRO 30 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2jr2 h PRO 30 Cb 1.29 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jr2 h PRO 30 CO 0.56 0.45 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.30 2jr2 h ASP 31 N 0.69 -0.12 -0.71 -2.05 5.19 -2.00 -2.03 116.42 115.40 2jr2 h ASP 31 Ca 0.41 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.61 2jr2 h ASP 31 Cb 0.46 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 2jr2 h ASP 31 CO -0.29 0.09 0.26 0.25 -3.12 0.00 0.00 179.24 176.43 2jr2 h LEU 32 N -0.33 1.01 0.31 1.55 5.85 -1.84 -1.72 115.31 120.14 2jr2 h LEU 32 Ca -0.01 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2jr2 h LEU 32 Cb 0.27 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2jr2 h LEU 32 CO 0.02 0.92 -0.15 0.00 -0.34 0.00 0.00 178.44 178.90 2jr2 h ALA 33 N 1.22 -0.42 -0.77 1.25 0.00 -0.19 -1.04 119.26 119.31 2jr2 h ALA 33 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jr2 h ALA 33 Cb 0.25 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jr2 h ALA 33 CO -0.01 -0.73 0.51 -0.07 0.00 0.00 0.00 179.25 178.95 2jr2 h LEU 34 N -0.44 0.88 -0.64 0.00 3.38 -1.21 0.18 115.31 117.48 2jr2 h LEU 34 Ca -0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2jr2 h LEU 34 Cb 0.33 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2jr2 h LEU 34 CO 0.07 0.64 0.25 -0.03 0.09 0.00 0.00 178.44 179.46 2jr2 h MET 35 N 1.04 0.95 -0.13 1.13 4.05 -1.17 0.97 114.93 121.78 2jr2 h MET 35 Ca 0.28 -0.18 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 2jr2 h MET 35 Cb -0.12 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.53 2jr2 h MET 35 CO -0.06 0.81 -0.18 0.00 0.23 0.00 0.00 176.91 177.71 2jr2 h LEU 37 N -0.04 0.75 -0.53 0.00 3.38 -0.52 -0.46 115.31 117.89 2jr2 h LEU 37 Ca 0.01 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2jr2 h LEU 37 Cb 0.74 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2jr2 h LEU 37 CO 0.04 0.61 0.31 1.23 0.09 0.00 0.00 178.44 180.72 2jr2 h GLY 38 N 0.82 0.75 1.72 0.83 0.00 -0.83 0.60 103.07 106.95 2jr2 h GLY 38 Ca 0.22 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2jr2 h GLY 38 CO -0.04 0.18 -0.32 3.43 0.00 0.00 0.00 176.54 179.79 2jr2 h ASN 39 N 0.60 0.33 -0.48 0.19 2.35 -1.22 -1.75 115.58 115.60 2jr2 h ASN 39 Ca 0.22 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2jr2 h ASN 39 Cb 0.05 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2jr2 h ASN 39 CO -0.11 0.64 0.05 0.00 -1.65 0.00 0.00 177.43 176.36 2jr2 h ALA 40 N 1.39 0.63 -0.19 -0.83 0.00 -0.28 -2.46 119.26 117.52 2jr2 h ALA 40 Ca 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2jr2 h ALA 40 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jr2 h ALA 40 CO 0.05 0.39 0.03 0.28 0.00 0.00 0.00 179.25 180.00 2jr2 h VAL 41 N 0.67 1.22 0.00 0.00 2.07 -0.63 -2.90 116.25 116.69 2jr2 h VAL 41 Ca 0.14 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2jr2 h VAL 41 Cb 0.43 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jr2 h VAL 41 CO 0.01 0.23 -0.14 0.00 0.02 0.00 0.00 177.57 177.69 2jr2 h THR 42 N 0.10 0.57 0.00 2.57 1.03 -1.31 0.05 112.91 115.93 2jr2 h THR 42 Ca 0.06 -0.62 0.00 0.00 -0.01 0.00 0.00 66.41 65.83 2jr2 h THR 42 Cb 0.31 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 2jr2 h THR 42 CO 0.00 0.13 0.00 0.78 -0.01 0.00 0.00 175.52 176.43 2jr2 h ASN 43 N 0.00 0.00 0.12 0.00 2.35 -1.24 -1.35 115.58 115.45 2jr2 h ASN 43 Ca -0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 2jr2 h ASN 43 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2jr2 h ASN 43 CO 0.02 0.00 -1.54 0.40 -1.65 0.00 0.00 177.43 174.65 2jr2 h ILE 44 N 0.00 0.94 0.00 2.81 1.08 -0.90 -3.35 117.51 118.09 2jr2 h ILE 44 Ca 0.00 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 2jr2 h ILE 44 Cb 0.81 2.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.21 2jr2 h ILE 44 CO 0.00 0.73 0.00 0.40 -0.69 0.00 0.00 178.15 178.59 2jr2 h ILE 45 N -0.24 0.00 0.00 -0.67 2.04 -1.12 -1.75 117.51 115.76 2jr2 h ILE 45 Ca -0.33 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2jr2 h ILE 45 Cb 1.81 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 2jr2 h ILE 45 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.21 2jr2 n ALA 46 N -2.08 2.18 0.67 1.87 0.00 -0.51 -3.14 120.51 119.49 2jr2 n ALA 46 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.48 2jr2 n ALA 46 Cb 0.29 -1.41 0.31 0.00 0.00 0.00 0.00 19.45 18.64 2jr2 n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jr2 n GLN 47 N -1.47 0.23 -3.98 0.00 6.02 -0.66 -4.85 117.38 112.66 2jr2 n GLN 47 Ca 0.07 0.12 -0.21 0.00 -0.01 0.00 0.00 57.00 56.97 2jr2 n GLN 47 Cb 0.29 -1.70 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 2jr2 n GLN 47 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2jr2 s VAL 48 N -3.11 5.19 0.53 5.09 -7.23 -1.19 -5.08 120.40 114.61 2jr2 s VAL 48 Ca 0.09 -1.02 -0.21 0.00 -1.81 0.00 0.00 61.98 59.03 2jr2 s VAL 48 Cb 0.14 -3.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.19 2jr2 s VAL 48 CO 0.65 -0.33 1.16 -0.81 -0.31 0.00 0.00 175.10 175.46 2jr2 n PRO 49 N -1.38 1.39 -0.35 4.82 -0.04 -1.26 -4.63 135.00 133.55 2jr2 n PRO 49 Ca -0.09 0.51 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 2jr2 n PRO 49 Cb 0.57 -2.33 0.24 0.00 -0.04 0.00 0.00 33.50 31.94 2jr2 n PRO 49 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jr2 h GLU 50 N 1.19 0.88 -0.10 0.54 4.81 -1.95 0.49 114.58 120.45 2jr2 h GLU 50 Ca -0.49 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2jr2 h GLU 50 Cb 1.33 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2jr2 h GLU 50 CO 0.55 0.58 -0.05 0.77 -0.73 0.00 0.00 179.01 180.14 2jr2 h SER 51 N 0.91 -0.16 0.75 1.04 0.02 -2.01 -2.21 113.55 111.88 2jr2 h SER 51 Ca 0.50 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.33 2jr2 h SER 51 Cb 0.55 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2jr2 h SER 51 CO -0.29 -0.07 -0.73 0.11 -1.14 0.00 0.00 176.83 174.71 2jr2 h LYS 52 N -0.04 0.00 -0.46 3.45 1.57 -1.69 -3.30 116.57 116.10 2jr2 h LYS 52 Ca 0.06 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 2jr2 h LYS 52 Cb 0.13 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 2jr2 h LYS 52 CO -0.13 0.73 0.01 -0.09 -0.57 0.00 0.00 179.45 179.40 2jr2 h ARG 53 N 0.00 0.12 -0.37 3.15 2.43 0.57 0.34 114.38 120.61 2jr2 h ARG 53 Ca -0.01 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 2jr2 h ARG 53 Cb 1.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2jr2 h ARG 53 CO 0.09 0.08 -0.03 0.28 -1.51 0.00 0.00 179.97 178.88 2jr2 h VAL 54 N 0.12 1.27 -0.67 0.20 2.07 -1.56 -2.42 116.25 115.26 2jr2 h VAL 54 Ca 0.23 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2jr2 h VAL 54 Cb 0.34 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2jr2 h VAL 54 CO -0.37 0.35 0.35 0.00 0.02 0.00 0.00 177.57 177.92 2jr2 h ALA 55 N 0.85 1.37 -0.06 1.67 0.00 -1.36 -1.84 119.26 119.89 2jr2 h ALA 55 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jr2 h ALA 55 Cb 0.52 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jr2 h ALA 55 CO 0.03 0.51 0.01 0.28 0.00 0.00 0.00 179.25 180.07 2jr2 h VAL 56 N 0.93 1.23 -0.26 0.00 2.07 -0.21 -2.33 116.25 117.68 2jr2 h VAL 56 Ca 0.24 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 2jr2 h VAL 56 Cb 0.04 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2jr2 h VAL 56 CO -0.04 0.19 -0.22 1.62 0.02 0.00 0.00 177.57 179.15 2jr2 h VAL 57 N -0.16 1.26 -0.36 2.57 3.04 -1.22 0.19 116.25 121.57 2jr2 h VAL 57 Ca 0.02 -1.21 -0.08 0.00 -1.01 0.00 0.00 66.70 64.42 2jr2 h VAL 57 Cb 0.30 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 2jr2 h VAL 57 CO 0.00 0.39 -0.12 0.44 -1.01 0.00 0.00 177.57 177.27 2jr2 h ASP 58 N 0.44 0.62 -0.15 3.17 5.19 -1.31 0.87 116.42 125.24 2jr2 h ASP 58 Ca 0.07 -0.17 -0.23 0.00 -0.62 0.00 0.00 57.03 56.08 2jr2 h ASP 58 Cb 0.62 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.98 2jr2 h ASP 58 CO 0.04 0.77 -0.79 0.78 -3.12 0.00 0.00 179.24 176.92 2jr2 h ASN 59 N 0.58 0.95 -0.25 6.45 2.35 -0.93 -2.49 115.58 122.24 2jr2 h ASN 59 Ca 0.10 -0.63 -0.02 0.00 -0.55 0.00 0.00 56.30 55.21 2jr2 h ASN 59 Cb 0.55 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2jr2 h ASN 59 CO 0.03 1.43 0.10 0.15 -1.65 0.00 0.00 177.43 177.49 2jr2 h PHE 60 N 0.54 0.39 -0.35 1.19 3.57 -0.70 -1.10 116.94 120.48 2jr2 h PHE 60 Ca -0.06 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.35 2jr2 h PHE 60 Cb 1.42 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 2jr2 h PHE 60 CO 0.09 0.42 -0.02 1.79 -2.23 0.00 0.00 178.31 178.35 2jr2 h THR 61 N 0.26 1.21 -0.13 4.41 1.35 -0.89 -0.44 112.91 118.68 2jr2 h THR 61 Ca 0.08 -0.86 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 2jr2 h THR 61 Cb 0.20 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 2jr2 h THR 61 CO -0.01 0.29 0.05 0.50 -0.25 0.00 0.00 175.52 176.11 2jr2 h LYS 62 N 0.53 0.20 -0.34 4.72 3.64 -1.21 -2.51 116.57 121.59 2jr2 h LYS 62 Ca 0.11 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2jr2 h LYS 62 Cb 0.38 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2jr2 h LYS 62 CO 0.02 0.30 0.12 0.00 -2.27 0.00 0.00 179.45 177.62 2jr2 h ALA 63 N 0.88 1.57 0.50 5.00 0.00 -0.67 -0.27 119.26 126.29 2jr2 h ALA 63 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jr2 h ALA 63 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jr2 h ALA 63 CO -0.00 0.33 -0.24 -0.07 0.00 0.00 0.00 179.25 179.27 2jr2 h LEU 64 N 0.49 -0.57 -1.15 0.00 3.38 -0.92 0.40 115.31 116.94 2jr2 h LEU 64 Ca 0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2jr2 h LEU 64 Cb 0.13 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2jr2 h LEU 64 CO -0.01 -0.35 0.22 0.11 0.09 0.00 0.00 178.44 178.51 2jr2 h LYS 65 N -0.77 0.82 -0.28 1.13 1.57 -1.19 0.15 116.57 118.01 2jr2 h LYS 65 Ca -0.07 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2jr2 h LYS 65 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2jr2 h LYS 65 CO 0.11 0.68 0.17 0.37 -0.57 0.00 0.00 179.45 180.22 2jr2 h GLN 66 N 0.81 0.38 -0.03 3.15 5.75 -0.91 -0.47 115.11 123.78 2jr2 h GLN 66 Ca 0.19 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.49 2jr2 h GLN 66 Cb 0.17 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2jr2 h GLN 66 CO -0.02 0.28 -0.74 0.66 -2.65 0.00 0.00 178.83 176.36 2jr2 h SER 67 N 0.36 0.25 -0.21 -0.69 4.64 -0.44 -1.44 113.55 116.01 2jr2 h SER 67 Ca 0.10 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 2jr2 h SER 67 Cb -0.00 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2jr2 h SER 67 CO -0.02 0.90 -0.17 0.58 -0.87 0.00 0.00 176.83 177.25 2jr2 h VAL 68 N 0.13 1.32 -0.21 0.95 2.07 -0.85 -1.54 116.25 118.13 2jr2 h VAL 68 Ca -0.02 -1.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 2jr2 h VAL 68 Cb 1.30 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2jr2 h VAL 68 CO 0.11 0.40 -0.29 -0.07 0.02 0.00 0.00 177.57 177.74 2jr2 h LEU 69 N 0.18 0.41 -0.55 2.57 3.38 -1.08 -1.80 115.31 118.42 2jr2 h LEU 69 Ca 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jr2 h LEU 69 Cb 0.70 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2jr2 h LEU 69 CO 0.04 0.69 0.00 1.21 0.09 0.00 0.00 178.44 180.47 2jr2 n GLU 70 N -4.11 1.36 0.00 1.13 4.07 -0.55 -3.04 120.64 119.51 2jr2 n GLU 70 Ca -0.01 -0.55 0.11 0.00 -0.06 0.00 0.00 57.16 56.66 2jr2 n GLU 70 Cb 0.42 -1.31 0.13 0.00 -0.06 0.00 0.00 31.44 30.62 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 -0.21 0.00 -2.47 4.31 -0.00 -0.59 -4.41 115.22 111.86 2jr2 n HIS 71 Ca 0.13 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.90 2jr2 n HIS 71 Cb 0.18 -0.11 -0.03 0.00 -0.12 0.00 0.00 29.99 29.92 2jr2 n HIS 71 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jr2 s HIS 72 N -2.82 2.37 -0.61 1.57 5.65 -1.17 -4.06 115.29 116.22 2jr2 s HIS 72 Ca 0.14 0.37 -0.14 0.00 0.25 0.00 0.00 55.06 55.68 2jr2 s HIS 72 Cb 0.17 -4.46 0.02 0.00 -1.18 0.00 0.00 32.58 27.13 2jr2 s HIS 72 CO 0.69 -1.88 0.64 1.58 -0.65 0.00 0.00 174.74 175.13 2jr2 n HIS 73 N 9.27 -2.83 -2.58 3.88 -0.00 -1.26 -4.90 115.22 116.81 2jr2 n HIS 73 Ca 0.10 1.14 -0.42 0.00 -0.00 0.00 0.00 57.72 58.54 2jr2 n HIS 73 Cb 0.49 -3.20 -0.03 0.00 -0.00 0.00 0.00 29.99 27.25 2jr2 n HIS 73 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jr2 s HIS 74 N -2.51 3.57 -0.39 1.57 -0.00 -1.26 -5.00 115.29 111.28 2jr2 s HIS 74 Ca 0.16 1.53 0.01 0.00 -0.00 0.00 0.00 55.06 56.77 2jr2 s HIS 74 Cb -0.03 -3.25 0.12 0.00 -0.00 0.00 0.00 32.58 29.42 2jr2 s HIS 74 CO 0.82 -0.56 0.17 -3.38 -0.00 0.00 0.00 174.74 171.80 2jr2 s HIS 75 N 1.00 2.02 0.00 0.38 -3.43 -1.26 -5.14 115.29 108.86 2jr2 s HIS 75 Ca 0.55 -2.23 0.00 0.00 -0.80 0.00 0.00 55.06 52.58 2jr2 s HIS 75 Cb -0.25 -1.91 0.00 0.00 -1.43 0.00 0.00 32.58 29.00 2jr2 s HIS 75 CO 0.29 -0.83 0.21 1.58 -2.00 0.00 0.00 174.74 173.99