#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 4.08 -0.72 0.03 0.04 -1.26 -4.99 135.00 132.18 2jr2 s PRO 2 Ca 0.00 1.26 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 2jr2 s PRO 2 Cb 0.00 -3.77 0.07 0.00 0.04 0.00 0.00 34.50 30.84 2jr2 s PRO 2 CO 0.00 -0.90 1.03 0.42 0.04 0.00 0.00 177.00 177.60 2jr2 s ILE 3 N 3.78 4.31 0.14 0.56 1.01 -1.26 -4.78 121.20 124.97 2jr2 s ILE 3 Ca 0.50 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2jr2 s ILE 3 Cb -0.15 -4.73 0.00 0.00 0.01 0.00 0.00 42.46 37.58 2jr2 s ILE 3 CO 0.16 -1.52 0.00 0.52 0.00 0.00 0.00 174.94 174.10 2jr2 n VAL 4 N 5.94 -2.73 -1.26 2.92 0.31 -1.26 -5.05 118.33 117.21 2jr2 n VAL 4 Ca 0.02 0.96 -0.03 0.00 -0.01 0.00 0.00 64.34 65.28 2jr2 n VAL 4 Cb 0.46 -1.87 0.02 0.00 -0.91 0.00 0.00 33.84 31.55 2jr2 n VAL 4 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2jr2 n SER 5 N -0.17 0.03 0.19 4.52 2.88 -1.26 -4.97 113.62 114.84 2jr2 n SER 5 Ca 0.00 -1.07 0.08 0.00 -1.33 0.00 0.00 58.87 56.55 2jr2 n SER 5 Cb 0.00 -0.12 0.20 0.00 -0.75 0.00 0.00 64.21 63.54 2jr2 n SER 5 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2jr2 h LYS 6 N 0.00 0.00 -6.22 -1.46 3.64 -2.02 -3.41 116.57 107.10 2jr2 h LYS 6 Ca -0.05 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.75 2jr2 h LYS 6 Cb 0.14 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.87 2jr2 h LYS 6 CO 0.04 0.27 0.80 1.52 -2.27 0.00 0.00 179.45 179.81 2jr2 s TYR 7 N -3.22 2.66 0.73 1.91 -0.85 -1.26 -5.01 117.35 112.30 2jr2 s TYR 7 Ca 0.04 0.16 -0.12 0.00 -0.52 0.00 0.00 57.07 56.63 2jr2 s TYR 7 Cb 0.07 -4.34 0.03 0.00 0.38 0.00 0.00 41.96 38.11 2jr2 s TYR 7 CO 0.69 -1.54 1.09 0.45 -1.52 0.00 0.00 175.55 174.73 2jr2 s SER 8 N 3.01 4.77 0.11 -0.18 0.15 -1.26 -4.81 113.70 115.49 2jr2 s SER 8 Ca 0.36 1.87 -0.21 0.00 0.70 0.00 0.00 55.95 58.67 2jr2 s SER 8 Cb -0.10 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 2jr2 s SER 8 CO 0.21 -1.86 1.72 -1.13 1.20 0.00 0.00 173.24 173.38 2jr2 h ASN 9 N -0.70 -0.11 -0.27 5.45 -1.24 -1.96 -0.20 115.58 116.55 2jr2 h ASN 9 Ca -0.45 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 56.59 2jr2 h ASN 9 Cb 1.23 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 40.34 2jr2 h ASN 9 CO 0.53 -0.04 0.15 -0.33 -1.29 0.00 0.00 177.43 176.44 2jr2 h GLU 10 N 0.00 0.42 -0.27 6.67 4.39 -2.00 -1.56 114.58 122.23 2jr2 h GLU 10 Ca 0.06 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2jr2 h GLU 10 Cb 0.09 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2jr2 h GLU 10 CO -0.13 0.33 -0.05 -0.09 -1.16 0.00 0.00 179.01 177.91 2jr2 h ARG 11 N 0.42 0.51 -0.57 2.33 2.43 -1.65 -2.30 114.38 115.55 2jr2 h ARG 11 Ca 0.11 -0.18 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2jr2 h ARG 11 Cb 0.05 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 2jr2 h ARG 11 CO -0.02 0.70 0.25 0.28 -1.51 0.00 0.00 179.97 179.68 2jr2 h VAL 12 N 0.26 0.86 -0.94 0.20 2.07 -0.23 0.24 116.25 118.71 2jr2 h VAL 12 Ca 0.07 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.46 2jr2 h VAL 12 Cb 0.51 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2jr2 h VAL 12 CO 0.02 0.08 0.61 -0.08 0.02 0.00 0.00 177.57 178.23 2jr2 h GLU 13 N 0.46 1.16 0.00 1.57 4.81 -1.21 -1.44 114.58 119.94 2jr2 h GLU 13 Ca 0.27 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2jr2 h GLU 13 Cb 0.27 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2jr2 h GLU 13 CO -0.24 0.77 -0.25 0.87 -0.73 0.00 0.00 179.01 179.43 2jr2 h LYS 14 N 1.20 0.00 -0.23 1.92 1.57 -0.68 -0.03 116.57 120.31 2jr2 h LYS 14 Ca 0.37 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2jr2 h LYS 14 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2jr2 h LYS 14 CO -0.11 0.25 0.02 0.82 -0.57 0.00 0.00 179.45 179.86 2jr2 h ILE 15 N 0.00 1.24 -0.67 1.86 2.04 0.09 0.38 117.51 122.45 2jr2 h ILE 15 Ca -0.00 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2jr2 h ILE 15 Cb 1.16 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 2jr2 h ILE 15 CO 0.03 0.26 0.37 0.40 0.00 0.00 0.00 178.15 179.21 2jr2 h ILE 16 N 0.19 1.21 -0.16 -0.67 2.04 -1.14 -1.90 117.51 117.07 2jr2 h ILE 16 Ca 0.07 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.42 2jr2 h ILE 16 Cb 0.36 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2jr2 h ILE 16 CO 0.01 0.23 0.08 -0.61 0.00 0.00 0.00 178.15 177.86 2jr2 h GLN 17 N 0.91 0.17 -0.81 2.37 5.75 -0.81 -0.81 115.11 121.89 2jr2 h GLN 17 Ca 0.24 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.80 2jr2 h GLN 17 Cb 0.03 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.49 2jr2 h GLN 17 CO -0.04 0.11 0.53 0.22 -2.65 0.00 0.00 178.83 177.00 2jr2 h ASP 18 N 0.18 0.73 -0.47 -0.69 3.58 0.05 0.41 116.42 120.20 2jr2 h ASP 18 Ca 0.06 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 2jr2 h ASP 18 Cb 0.01 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2jr2 h ASP 18 CO -0.04 0.46 0.03 -0.07 -2.88 0.00 0.00 179.24 176.74 2jr2 h LEU 19 N 0.82 0.80 -0.89 2.28 3.38 -0.92 -2.52 115.31 118.26 2jr2 h LEU 19 Ca 0.36 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jr2 h LEU 19 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2jr2 h LEU 19 CO -0.13 0.89 0.06 -0.07 0.09 0.00 0.00 178.44 179.28 2jr2 h LEU 20 N 0.68 0.84 -0.85 1.67 3.38 0.57 -0.71 115.31 120.88 2jr2 h LEU 20 Ca 0.14 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2jr2 h LEU 20 Cb 0.46 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2jr2 h LEU 20 CO 0.02 0.86 0.54 0.44 0.09 0.00 0.00 178.44 180.39 2jr2 h ASP 21 N 0.83 0.87 -0.36 -0.43 3.32 -0.17 0.65 116.42 121.13 2jr2 h ASP 21 Ca 0.17 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2jr2 h ASP 21 Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2jr2 h ASP 21 CO 0.01 0.58 0.03 0.58 -1.72 0.00 0.00 179.24 178.71 2jr2 h VAL 22 N 1.01 1.25 -0.67 -1.35 2.07 -0.98 -1.60 116.25 115.98 2jr2 h VAL 22 Ca 0.35 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2jr2 h VAL 22 Cb 0.09 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2jr2 h VAL 22 CO -0.14 0.31 0.35 -0.07 0.02 0.00 0.00 177.57 178.03 2jr2 h LEU 23 N 0.44 0.84 -0.21 2.57 3.38 -0.43 -0.84 115.31 121.07 2jr2 h LEU 23 Ca 0.11 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 2jr2 h LEU 23 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2jr2 h LEU 23 CO 0.01 0.69 -0.90 1.62 0.09 0.00 0.00 178.44 179.95 2jr2 h VAL 24 N 0.94 1.63 -0.58 1.22 3.04 -0.83 -1.27 116.25 120.39 2jr2 h VAL 24 Ca 0.24 -3.03 -0.08 0.00 -1.01 0.00 0.00 66.70 62.82 2jr2 h VAL 24 Cb 0.06 2.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.96 2jr2 h VAL 24 CO -0.04 0.87 0.04 0.11 -1.01 0.00 0.00 177.57 177.54 2jr2 h LYS 25 N 0.01 0.97 0.00 4.17 1.57 -0.62 -2.51 116.57 120.17 2jr2 h LYS 25 Ca -0.02 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2jr2 h LYS 25 Cb 1.59 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2jr2 h LYS 25 CO 0.12 0.93 -0.23 0.39 -0.57 0.00 0.00 179.45 180.09 2jr2 n GLU 26 N -4.21 0.28 -3.59 3.15 -0.58 -0.38 -4.95 120.64 110.36 2jr2 n GLU 26 Ca 0.03 0.17 -0.20 0.00 -0.42 0.00 0.00 57.16 56.74 2jr2 n GLU 26 Cb 0.31 -1.77 0.06 0.00 -0.57 0.00 0.00 31.44 29.47 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 -2.23 -5.84 -2.30 3.49 -0.58 -0.52 -4.93 120.64 107.72 2jr2 n GLU 27 Ca 0.05 0.73 -0.40 0.00 -0.42 0.00 0.00 57.16 57.11 2jr2 n GLU 27 Cb 0.44 -5.52 -0.03 0.00 -0.57 0.00 0.00 31.44 25.75 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 -3.50 3.13 0.55 2.62 -7.23 -0.94 -5.05 120.40 109.98 2jr2 s VAL 28 Ca 0.07 1.10 -0.00 0.00 -1.81 0.00 0.00 61.98 61.34 2jr2 s VAL 28 Cb -0.03 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 33.25 2jr2 s VAL 28 CO 0.77 0.23 0.78 0.42 -0.31 0.00 0.00 175.10 177.00 2jr2 s THR 29 N -1.21 2.98 0.15 5.32 -4.23 -1.26 -4.81 115.64 112.58 2jr2 s THR 29 Ca 0.49 -0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 60.16 2jr2 s THR 29 Cb -0.34 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 2jr2 s THR 29 CO 0.45 -0.10 1.56 -0.65 -0.54 0.00 0.00 174.62 175.33 2jr2 h PRO 30 N 0.06 -0.29 -0.87 3.99 0.11 -1.98 0.52 132.00 133.54 2jr2 h PRO 30 Ca -0.43 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 2jr2 h PRO 30 Cb 1.29 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.42 2jr2 h PRO 30 CO 0.55 -0.19 0.47 -0.44 -0.21 0.00 0.00 178.00 178.18 2jr2 h ASP 31 N -0.30 1.10 -0.20 -2.05 5.19 -1.99 -0.70 116.42 117.48 2jr2 h ASP 31 Ca 0.13 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 2jr2 h ASP 31 Cb 0.57 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2jr2 h ASP 31 CO -0.65 0.89 0.03 0.25 -3.12 0.00 0.00 179.24 176.64 2jr2 h LEU 32 N 1.22 0.31 -0.05 1.55 5.85 -1.74 -1.79 115.31 120.67 2jr2 h LEU 32 Ca 0.31 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jr2 h LEU 32 Cb 0.04 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2jr2 h LEU 32 CO -0.05 0.49 0.03 0.00 -0.34 0.00 0.00 178.44 178.58 2jr2 h ALA 33 N 0.83 0.07 -0.74 1.25 0.00 0.34 -0.89 119.26 120.11 2jr2 h ALA 33 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jr2 h ALA 33 Cb 0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2jr2 h ALA 33 CO 0.00 -0.41 0.42 -0.07 0.00 0.00 0.00 179.25 179.19 2jr2 h LEU 34 N 0.03 0.89 -0.28 0.00 3.38 -1.12 0.40 115.31 118.61 2jr2 h LEU 34 Ca 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2jr2 h LEU 34 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jr2 h LEU 34 CO -0.00 0.70 0.03 -0.03 0.09 0.00 0.00 178.44 179.23 2jr2 h MET 35 N 1.02 0.47 -0.16 1.13 4.05 -0.99 0.12 114.93 120.57 2jr2 h MET 35 Ca 0.26 -0.14 -0.08 0.00 -0.28 0.00 0.00 59.70 59.47 2jr2 h MET 35 Cb -0.01 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2jr2 h MET 35 CO -0.05 0.60 -0.21 0.00 0.23 0.00 0.00 176.91 177.49 2jr2 h LEU 37 N 0.05 0.67 -0.59 0.00 3.38 -0.22 -1.92 115.31 116.69 2jr2 h LEU 37 Ca 0.02 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2jr2 h LEU 37 Cb 0.76 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2jr2 h LEU 37 CO 0.05 0.60 0.30 1.23 0.09 0.00 0.00 178.44 180.71 2jr2 h GLY 38 N 0.69 0.84 1.43 0.83 0.00 -0.77 0.92 103.07 107.01 2jr2 h GLY 38 Ca 0.18 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2jr2 h GLY 38 CO -0.02 0.11 -0.16 3.43 0.00 0.00 0.00 176.54 179.90 2jr2 h ASN 39 N 0.56 0.67 -0.34 0.19 2.35 -1.29 -1.42 115.58 116.30 2jr2 h ASN 39 Ca 0.27 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2jr2 h ASN 39 Cb 0.19 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2jr2 h ASN 39 CO -0.19 0.84 0.01 0.00 -1.65 0.00 0.00 177.43 176.45 2jr2 h ALA 40 N 1.22 0.45 -0.84 -0.83 0.00 -0.53 -2.66 119.26 116.07 2jr2 h ALA 40 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jr2 h ALA 40 Cb 0.62 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2jr2 h ALA 40 CO 0.04 0.20 0.48 0.28 0.00 0.00 0.00 179.25 180.25 2jr2 h VAL 41 N 0.40 1.24 -0.47 0.00 2.07 -0.64 -2.55 116.25 116.30 2jr2 h VAL 41 Ca 0.10 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.10 2jr2 h VAL 41 Cb 0.43 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2jr2 h VAL 41 CO 0.02 0.27 0.15 0.74 0.02 0.00 0.00 177.57 178.76 2jr2 h THR 42 N 1.16 0.83 -0.68 2.57 2.02 -1.11 0.01 112.91 117.71 2jr2 h THR 42 Ca 0.30 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.38 2jr2 h THR 42 Cb 0.00 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 2jr2 h THR 42 CO -0.05 0.06 0.45 -1.13 0.37 0.00 0.00 175.52 175.22 2jr2 h ASN 43 N 0.32 0.79 -0.14 4.18 -1.24 -1.12 0.88 115.58 119.24 2jr2 h ASN 43 Ca 0.22 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 2jr2 h ASN 43 Cb 0.24 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 2jr2 h ASN 43 CO -0.24 0.57 0.01 0.40 -1.29 0.00 0.00 177.43 176.88 2jr2 h ILE 44 N 0.93 1.24 -0.01 2.57 1.08 -1.04 -3.01 117.51 119.27 2jr2 h ILE 44 Ca 0.25 -0.79 -0.08 0.00 -0.39 0.00 0.00 64.86 63.85 2jr2 h ILE 44 Cb -0.11 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 2jr2 h ILE 44 CO -0.05 0.23 -0.39 0.40 -0.69 0.00 0.00 178.15 177.65 2jr2 h ILE 45 N -0.01 1.28 0.00 -0.67 2.04 -0.80 -2.36 117.51 116.98 2jr2 h ILE 45 Ca 0.04 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 2jr2 h ILE 45 Cb 0.35 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2jr2 h ILE 45 CO 0.01 0.38 -0.09 0.00 0.00 0.00 0.00 178.15 178.45 2jr2 h ALA 46 N 1.60 1.22 0.00 1.87 0.00 -0.70 -1.25 119.26 122.00 2jr2 h ALA 46 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jr2 h ALA 46 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jr2 h ALA 46 CO 0.05 0.12 -0.11 1.04 0.00 0.00 0.00 179.25 180.35 2jr2 n GLN 47 N -3.51 0.03 -2.70 0.00 6.02 -0.89 -4.81 117.38 111.51 2jr2 n GLN 47 Ca -0.02 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 2jr2 n GLN 47 Cb 0.23 -1.53 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 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 -3.01 4.25 0.59 5.09 1.01 -0.47 -5.02 120.40 122.83 2jr2 s VAL 48 Ca 0.13 2.01 -0.20 0.00 0.00 0.00 0.00 61.98 63.92 2jr2 s VAL 48 Cb 0.18 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2jr2 s VAL 48 CO 0.57 0.37 1.32 -2.84 0.00 0.00 0.00 175.10 174.52 2jr2 s PRO 49 N -0.48 2.89 0.47 2.72 0.02 -1.26 -4.59 135.00 134.77 2jr2 s PRO 49 Ca 0.45 2.12 0.24 0.00 0.02 0.00 0.00 61.00 63.83 2jr2 s PRO 49 Cb -0.25 -2.06 1.26 0.00 0.02 0.00 0.00 34.50 33.46 2jr2 s PRO 49 CO 0.31 -1.35 1.86 1.49 -0.33 0.00 0.00 177.00 178.98 2jr2 h GLU 50 N 1.04 0.23 -0.79 5.54 4.57 -1.95 0.67 114.58 123.89 2jr2 h GLU 50 Ca -0.51 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 57.78 2jr2 h GLU 50 Cb 1.31 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.77 2jr2 h GLU 50 CO 0.55 0.15 0.39 1.03 -1.18 0.00 0.00 179.01 179.96 2jr2 h SER 51 N 0.23 0.48 0.00 1.04 0.87 -2.04 -3.19 113.55 110.95 2jr2 h SER 51 Ca 0.47 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2jr2 h SER 51 Cb 1.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 2jr2 h SER 51 CO -0.12 0.24 0.00 2.29 -0.53 0.00 0.00 176.83 178.71 2jr2 n LYS 52 N -4.87 0.07 0.01 2.24 2.85 -0.66 -4.74 118.16 113.06 2jr2 n LYS 52 Ca 0.14 -0.63 -0.01 0.00 -1.05 0.00 0.00 58.31 56.76 2jr2 n LYS 52 Cb 0.36 -0.89 0.27 0.00 -0.65 0.00 0.00 35.03 34.13 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 0.50 0.01 -1.58 2.43 -0.88 0.83 114.38 115.70 2jr2 h ARG 53 Ca 0.00 -0.13 -0.24 0.00 -0.81 0.00 0.00 59.98 58.80 2jr2 h ARG 53 Cb 0.25 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2jr2 h ARG 53 CO 0.00 0.59 -1.25 0.28 -1.51 0.00 0.00 179.97 178.08 2jr2 h VAL 54 N 0.47 1.42 -0.35 0.20 2.07 -1.85 -3.24 116.25 114.98 2jr2 h VAL 54 Ca 0.09 -3.16 -0.16 0.00 0.82 0.00 0.00 66.70 64.29 2jr2 h VAL 54 Cb 0.42 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2jr2 h VAL 54 CO 0.02 0.82 -0.42 0.00 0.02 0.00 0.00 177.57 178.01 2jr2 h ALA 55 N 0.96 0.52 -0.50 1.67 0.00 -1.72 -2.48 119.26 117.71 2jr2 h ALA 55 Ca -0.11 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 2jr2 h ALA 55 Cb 1.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2jr2 h ALA 55 CO 0.12 0.65 -0.15 -0.39 0.00 0.00 0.00 179.25 179.48 2jr2 h VAL 56 N 0.71 1.27 -0.14 0.00 -1.51 -0.95 -1.10 116.25 114.53 2jr2 h VAL 56 Ca 0.05 -1.31 -0.13 0.00 -1.23 0.00 0.00 66.70 64.08 2jr2 h VAL 56 Cb 1.02 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 2jr2 h VAL 56 CO 0.10 0.46 -0.47 1.62 -1.23 0.00 0.00 177.57 178.05 2jr2 h VAL 57 N 0.85 1.33 -0.16 7.19 3.04 -1.59 0.68 116.25 127.59 2jr2 h VAL 57 Ca 0.12 -1.67 -0.02 0.00 -1.01 0.00 0.00 66.70 64.12 2jr2 h VAL 57 Cb 0.72 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 2jr2 h VAL 57 CO 0.06 0.51 0.01 -0.78 -1.01 0.00 0.00 177.57 176.36 2jr2 h ASP 58 N 0.29 0.27 -0.71 3.17 1.82 -1.24 0.03 116.42 120.04 2jr2 h ASP 58 Ca 0.02 -0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.35 2jr2 h ASP 58 Cb 0.94 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.84 2jr2 h ASP 58 CO 0.08 0.48 0.37 0.78 -1.61 0.00 0.00 179.24 179.34 2jr2 h ASN 59 N 0.04 0.91 0.06 2.28 2.35 -1.09 0.61 115.58 120.74 2jr2 h ASN 59 Ca 0.05 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2jr2 h ASN 59 Cb 0.34 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2jr2 h ASN 59 CO 0.01 0.76 -0.08 0.15 -1.65 0.00 0.00 177.43 176.61 2jr2 h PHE 60 N 1.02 -0.20 -0.37 1.19 3.57 -0.53 0.14 116.94 121.75 2jr2 h PHE 60 Ca 0.25 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2jr2 h PHE 60 Cb 0.07 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2jr2 h PHE 60 CO 0.01 -0.12 -0.09 1.79 -2.23 0.00 0.00 178.31 177.67 2jr2 h THR 61 N -0.17 1.24 0.03 4.41 1.35 -0.66 -0.38 112.91 118.72 2jr2 h THR 61 Ca 0.01 -1.04 -0.00 0.00 -0.55 0.00 0.00 66.41 64.83 2jr2 h THR 61 Cb 0.17 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2jr2 h THR 61 CO -0.03 0.35 -0.01 0.50 -0.25 0.00 0.00 175.52 176.07 2jr2 h LYS 62 N 0.58 -0.03 -0.63 4.72 1.63 -0.55 -2.55 116.57 119.73 2jr2 h LYS 62 Ca 0.11 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 2jr2 h LYS 62 Cb 0.50 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 2jr2 h LYS 62 CO 0.03 0.06 0.17 0.00 -3.45 0.00 0.00 179.45 176.25 2jr2 h ALA 63 N 0.86 1.11 0.60 5.00 0.00 -0.41 -1.50 119.26 124.91 2jr2 h ALA 63 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2jr2 h ALA 63 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jr2 h ALA 63 CO 0.01 0.60 -0.48 -0.07 0.00 0.00 0.00 179.25 179.31 2jr2 h LEU 64 N 0.93 -1.28 -1.20 0.00 3.38 -0.98 -0.35 115.31 115.81 2jr2 h LEU 64 Ca 0.20 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2jr2 h LEU 64 Cb 0.31 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2jr2 h LEU 64 CO -0.00 -0.68 0.37 0.11 0.09 0.00 0.00 178.44 178.34 2jr2 h LYS 65 N -1.05 0.93 -0.13 1.13 1.57 -1.37 -1.03 116.57 116.62 2jr2 h LYS 65 Ca -0.08 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2jr2 h LYS 65 Cb 0.88 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2jr2 h LYS 65 CO 0.01 0.68 0.08 0.37 -0.57 0.00 0.00 179.45 180.01 2jr2 h GLN 66 N 0.94 0.16 0.00 3.15 4.15 -1.13 -0.90 115.11 121.48 2jr2 h GLN 66 Ca 0.24 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.56 2jr2 h GLN 66 Cb 0.02 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2jr2 h GLN 66 CO -0.04 0.10 -0.43 0.77 -1.93 0.00 0.00 178.83 177.31 2jr2 h SER 67 N 0.16 0.00 0.05 -0.69 0.02 -0.51 -2.83 113.55 109.76 2jr2 h SER 67 Ca 0.05 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 2jr2 h SER 67 Cb -0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2jr2 h SER 67 CO -0.02 0.43 -0.50 0.58 -1.14 0.00 0.00 176.83 176.18 2jr2 h VAL 68 N 0.00 1.54 -0.32 2.27 2.07 -0.98 -2.42 116.25 118.42 2jr2 h VAL 68 Ca -0.00 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 65.22 2jr2 h VAL 68 Cb 0.95 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 2jr2 h VAL 68 CO 0.06 0.62 -0.13 -0.07 0.02 0.00 0.00 177.57 178.07 2jr2 h LEU 69 N -0.41 0.53 0.07 2.57 3.38 -1.17 -3.26 115.31 117.01 2jr2 h LEU 69 Ca -0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2jr2 h LEU 69 Cb 1.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2jr2 h LEU 69 CO 0.10 0.68 -0.03 -0.08 0.09 0.00 0.00 178.44 179.20 2jr2 h GLU 70 N 0.50 -0.09 0.00 1.13 4.81 -1.61 -3.44 114.58 115.88 2jr2 h GLU 70 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2jr2 h GLU 70 Cb 0.51 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2jr2 h GLU 70 CO 0.03 -0.06 0.00 1.58 -0.73 0.00 0.00 179.01 179.83 2jr2 n HIS 71 N -2.57 0.00 0.00 0.92 -0.00 -0.91 -4.64 115.22 108.02 2jr2 n HIS 71 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2jr2 n HIS 71 Cb 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 2jr2 n HIS 71 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jr2 n HIS 72 N 0.00 0.00 -3.89 1.57 8.25 -1.26 -3.67 115.22 116.21 2jr2 n HIS 72 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2jr2 n HIS 72 Cb 0.00 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 2jr2 n HIS 72 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jr2 s HIS 73 N 0.00 1.40 -1.10 4.41 3.76 -1.26 -5.06 115.29 117.44 2jr2 s HIS 73 Ca 0.00 -0.68 -0.22 0.00 -0.15 0.00 0.00 55.06 54.01 2jr2 s HIS 73 Cb 0.00 -1.19 0.01 0.00 1.11 0.00 0.00 32.58 32.51 2jr2 s HIS 73 CO 0.00 -0.49 1.71 -1.01 -0.85 0.00 0.00 174.74 174.09 2jr2 s HIS 74 N 1.73 2.35 -0.03 1.40 0.09 -1.24 -4.88 115.29 114.71 2jr2 s HIS 74 Ca 0.05 -0.54 0.01 0.00 -0.00 0.00 0.00 55.06 54.58 2jr2 s HIS 74 Cb -0.12 -4.47 0.02 0.00 -0.00 0.00 0.00 32.58 28.01 2jr2 s HIS 74 CO -0.08 -1.75 -0.02 -1.58 -0.00 0.00 0.00 174.74 171.31 2jr2 s HIS 75 N 6.80 0.49 0.00 1.40 5.65 -1.26 -5.23 115.29 123.14 2jr2 s HIS 75 Ca 0.57 -0.09 0.00 0.00 0.25 0.00 0.00 55.06 55.79 2jr2 s HIS 75 Cb -0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 32.58 30.89 2jr2 s HIS 75 CO 0.00 -0.15 0.14 1.58 -0.65 0.00 0.00 174.74 175.67