#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 3.68 -1.33 0.03 0.02 -1.26 -3.88 135.00 132.26 2jr2 s PRO 2 Ca 0.00 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 62.63 2jr2 s PRO 2 Cb 0.00 -2.32 0.09 0.00 0.02 0.00 0.00 34.50 32.29 2jr2 s PRO 2 CO 0.00 -0.60 0.54 0.44 -0.33 0.00 0.00 177.00 177.05 2jr2 n ILE 3 N -0.66 -0.93 -1.55 2.83 -5.35 -1.26 -4.82 119.36 107.63 2jr2 n ILE 3 Ca 0.08 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.21 2jr2 n ILE 3 Cb 0.49 -1.68 -0.04 0.00 -1.74 0.00 0.00 39.64 36.67 2jr2 n ILE 3 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2jr2 n VAL 4 N -3.97 -0.08 -0.57 7.28 0.24 -1.25 -1.95 118.33 118.04 2jr2 n VAL 4 Ca 0.01 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2jr2 n VAL 4 Cb 0.53 -2.61 0.00 0.00 -1.47 0.00 0.00 33.84 30.28 2jr2 n VAL 4 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2jr2 n SER 5 N 15.69 -1.04 0.00 -1.34 3.41 -1.26 -4.18 113.62 124.91 2jr2 n SER 5 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2jr2 n SER 5 Cb 0.51 -2.58 0.00 0.00 -0.26 0.00 0.00 64.21 61.88 2jr2 n SER 5 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jr2 n LYS 6 N -1.38 0.00 -3.67 4.33 5.02 -0.82 -4.42 118.16 117.23 2jr2 n LYS 6 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2jr2 n LYS 6 Cb 0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.99 2jr2 n LYS 6 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jr2 s TYR 7 N 0.00 -0.64 0.58 2.13 1.13 -1.26 -5.00 117.35 114.30 2jr2 s TYR 7 Ca 0.00 1.30 -0.09 0.00 -1.41 0.00 0.00 57.07 56.87 2jr2 s TYR 7 Cb 0.00 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 41.01 2jr2 s TYR 7 CO 0.00 -0.42 0.97 -1.12 -2.51 0.00 0.00 175.55 172.47 2jr2 s SER 8 N 2.36 6.23 0.41 -0.18 0.01 -1.26 -4.95 113.70 116.31 2jr2 s SER 8 Ca -0.02 1.28 0.09 0.00 1.31 0.00 0.00 55.95 58.61 2jr2 s SER 8 Cb -0.12 -2.40 0.88 0.00 0.21 0.00 0.00 66.02 64.59 2jr2 s SER 8 CO -0.11 -0.80 2.02 -0.55 0.41 0.00 0.00 173.24 174.20 2jr2 h ASN 9 N -0.18 0.49 0.23 2.44 -1.07 -2.00 -0.34 115.58 115.15 2jr2 h ASN 9 Ca -0.45 -0.00 -0.05 0.00 0.07 0.00 0.00 56.30 55.87 2jr2 h ASN 9 Cb 1.19 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 37.33 2jr2 h ASN 9 CO 0.62 0.33 -0.24 1.05 0.07 0.00 0.00 177.43 179.26 2jr2 h GLU 10 N 0.56 0.02 0.03 4.14 4.11 -1.99 -2.07 114.58 119.38 2jr2 h GLU 10 Ca 0.22 -0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.41 2jr2 h GLU 10 Cb 0.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jr2 h GLU 10 CO -0.06 0.25 -1.02 -0.09 0.07 0.00 0.00 179.01 178.17 2jr2 h ARG 11 N 0.02 0.40 -0.26 1.06 2.43 -1.45 -1.48 114.38 115.10 2jr2 h ARG 11 Ca 0.00 -0.48 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2jr2 h ARG 11 Cb 0.43 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2jr2 h ARG 11 CO 0.03 1.15 0.12 0.28 -1.51 0.00 0.00 179.97 180.04 2jr2 h VAL 12 N 0.21 0.99 -0.49 0.20 2.07 -0.90 0.39 116.25 118.72 2jr2 h VAL 12 Ca -0.10 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2jr2 h VAL 12 Cb 1.67 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2jr2 h VAL 12 CO 0.18 0.05 0.14 -0.33 0.02 0.00 0.00 177.57 177.62 2jr2 h GLU 13 N 0.27 0.73 -0.09 1.57 5.08 -1.38 -2.53 114.58 118.22 2jr2 h GLU 13 Ca 0.11 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2jr2 h GLU 13 Cb 0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2jr2 h GLU 13 CO -0.08 0.65 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.30 2jr2 h LYS 14 N 0.71 0.21 -0.87 2.33 3.64 -0.41 -2.36 116.57 119.82 2jr2 h LYS 14 Ca 0.16 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2jr2 h LYS 14 Cb 0.24 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 2jr2 h LYS 14 CO -0.01 0.60 0.57 0.82 -2.27 0.00 0.00 179.45 179.16 2jr2 h ILE 15 N -0.18 1.13 -0.73 2.00 2.04 -0.12 0.45 117.51 122.09 2jr2 h ILE 15 Ca 0.02 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2jr2 h ILE 15 Cb 0.55 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2jr2 h ILE 15 CO 0.02 0.19 0.32 0.40 0.00 0.00 0.00 178.15 179.09 2jr2 h ILE 16 N 1.07 1.24 -0.42 -0.67 2.04 -1.43 -0.74 117.51 118.60 2jr2 h ILE 16 Ca 0.35 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 2jr2 h ILE 16 Cb 0.05 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2jr2 h ILE 16 CO -0.11 0.30 -0.01 -0.61 0.00 0.00 0.00 178.15 177.72 2jr2 h GLN 17 N 1.04 0.75 -0.37 2.37 5.75 -0.41 0.19 115.11 124.43 2jr2 h GLN 17 Ca 0.25 -0.24 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2jr2 h GLN 17 Cb 0.17 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 2jr2 h GLN 17 CO -0.03 0.83 0.01 -0.44 -2.65 0.00 0.00 178.83 176.55 2jr2 h ASP 18 N 0.58 -0.14 -0.33 -0.69 5.19 0.06 0.26 116.42 121.34 2jr2 h ASP 18 Ca 0.12 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 2jr2 h ASP 18 Cb 0.50 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 2jr2 h ASP 18 CO 0.02 -0.03 0.07 -0.07 -3.12 0.00 0.00 179.24 176.11 2jr2 h LEU 19 N 0.11 0.51 -1.43 1.55 3.38 -0.91 -2.51 115.31 116.01 2jr2 h LEU 19 Ca 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2jr2 h LEU 19 Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jr2 h LEU 19 CO -0.30 0.62 0.18 -0.07 0.09 0.00 0.00 178.44 178.96 2jr2 h LEU 20 N 0.38 0.50 -0.71 1.67 3.38 -0.22 -1.72 115.31 118.59 2jr2 h LEU 20 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2jr2 h LEU 20 Cb 0.31 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2jr2 h LEU 20 CO 0.00 0.45 0.27 -0.78 0.09 0.00 0.00 178.44 178.47 2jr2 h ASP 21 N 0.56 1.00 -0.99 -0.43 1.82 -0.21 0.26 116.42 118.43 2jr2 h ASP 21 Ca 0.14 -0.18 0.05 0.00 -0.39 0.00 0.00 57.03 56.65 2jr2 h ASP 21 Cb 0.09 -0.26 -0.06 0.00 0.68 0.00 0.00 39.33 39.78 2jr2 h ASP 21 CO -0.02 0.91 0.64 0.58 -1.61 0.00 0.00 179.24 179.75 2jr2 h VAL 22 N 1.03 1.13 -0.06 2.25 2.07 -0.90 0.39 116.25 122.15 2jr2 h VAL 22 Ca 0.24 -0.42 -0.22 0.00 0.82 0.00 0.00 66.70 67.12 2jr2 h VAL 22 Cb 0.24 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2jr2 h VAL 22 CO -0.02 0.22 -0.85 -0.07 0.02 0.00 0.00 177.57 176.88 2jr2 h LEU 23 N 1.21 0.67 -0.37 2.57 3.38 -0.88 -3.08 115.31 118.81 2jr2 h LEU 23 Ca 0.41 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2jr2 h LEU 23 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2jr2 h LEU 23 CO -0.15 1.26 -0.33 1.62 0.09 0.00 0.00 178.44 180.93 2jr2 h VAL 24 N 0.34 0.62 -0.57 1.22 3.04 -0.05 0.16 116.25 121.02 2jr2 h VAL 24 Ca -0.06 -1.66 0.10 0.00 -1.01 0.00 0.00 66.70 64.07 2jr2 h VAL 24 Cb 1.46 2.14 -0.08 0.00 -2.01 0.00 0.00 31.29 32.80 2jr2 h VAL 24 CO 0.16 0.32 0.10 0.11 -1.01 0.00 0.00 177.57 177.25 2jr2 h LYS 25 N 0.00 0.23 0.00 4.17 1.57 -0.15 -2.98 116.57 119.41 2jr2 h LYS 25 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jr2 h LYS 25 Cb 1.11 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2jr2 h LYS 25 CO 0.04 0.15 -1.02 0.39 -0.57 0.00 0.00 179.45 178.44 2jr2 n GLU 26 N -5.14 0.06 -3.69 3.15 -0.58 -1.07 -4.98 120.64 108.39 2jr2 n GLU 26 Ca 0.08 -0.01 -0.24 0.00 -0.42 0.00 0.00 57.16 56.57 2jr2 n GLU 26 Cb 0.30 -1.50 0.03 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 -1.57 -3.54 -1.83 3.49 1.02 0.50 -4.90 120.64 113.81 2jr2 n GLU 27 Ca 0.04 0.57 -0.37 0.00 -0.02 0.00 0.00 57.16 57.38 2jr2 n GLU 27 Cb 0.35 -4.90 0.05 0.00 -0.02 0.00 0.00 31.44 26.92 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 -3.63 2.20 0.67 2.62 -7.23 -0.85 -5.02 120.40 109.16 2jr2 s VAL 28 Ca 0.16 0.14 -0.10 0.00 -1.81 0.00 0.00 61.98 60.37 2jr2 s VAL 28 Cb -0.05 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.85 2jr2 s VAL 28 CO 0.83 -0.02 1.04 0.42 -0.31 0.00 0.00 175.10 177.06 2jr2 s THR 29 N -1.41 3.49 0.21 5.32 -4.23 -1.26 -4.79 115.64 112.98 2jr2 s THR 29 Ca 0.78 0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 61.51 2jr2 s THR 29 Cb -0.37 -3.45 0.18 0.00 1.34 0.00 0.00 72.50 70.20 2jr2 s THR 29 CO 0.41 -0.56 1.68 -0.65 -0.54 0.00 0.00 174.62 174.96 2jr2 h PRO 30 N -0.52 0.19 -0.48 3.99 0.11 -1.99 0.35 132.00 133.65 2jr2 h PRO 30 Ca -0.45 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 2jr2 h PRO 30 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2jr2 h PRO 30 CO 0.63 0.12 -0.05 0.38 -0.21 0.00 0.00 178.00 178.87 2jr2 h ASP 31 N 0.19 0.87 -0.46 -2.05 2.03 -1.99 -2.20 116.42 112.81 2jr2 h ASP 31 Ca 0.33 -0.33 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 2jr2 h ASP 31 Cb 0.52 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.76 2jr2 h ASP 31 CO -0.47 1.00 -0.01 0.25 -1.03 0.00 0.00 179.24 178.98 2jr2 h LEU 32 N 0.73 0.81 0.52 0.15 5.85 -1.72 -1.63 115.31 120.02 2jr2 h LEU 32 Ca 0.13 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2jr2 h LEU 32 Cb 0.58 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2jr2 h LEU 32 CO 0.03 0.93 -0.27 0.00 -0.34 0.00 0.00 178.44 178.79 2jr2 h ALA 33 N 0.91 -0.72 -0.55 1.25 0.00 -0.23 -1.77 119.26 118.15 2jr2 h ALA 33 Ca 0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jr2 h ALA 33 Cb 0.52 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2jr2 h ALA 33 CO 0.03 -0.91 0.11 -0.07 0.00 0.00 0.00 179.25 178.41 2jr2 h LEU 34 N -0.72 0.81 -0.52 0.00 3.38 -1.40 -1.05 115.31 115.80 2jr2 h LEU 34 Ca -0.07 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2jr2 h LEU 34 Cb 0.56 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2jr2 h LEU 34 CO 0.10 0.80 0.10 -0.03 0.09 0.00 0.00 178.44 179.51 2jr2 h MET 35 N 0.82 0.86 -0.34 1.13 4.05 -1.19 0.89 114.93 121.14 2jr2 h MET 35 Ca 0.18 -0.22 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 2jr2 h MET 35 Cb 0.33 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 2jr2 h MET 35 CO 0.00 0.83 -0.08 0.00 0.23 0.00 0.00 176.91 177.90 2jr2 h LEU 37 N 0.45 0.61 -0.76 0.00 3.38 -1.00 -2.14 115.31 115.84 2jr2 h LEU 37 Ca 0.09 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2jr2 h LEU 37 Cb 0.58 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2jr2 h LEU 37 CO 0.03 0.52 0.43 1.23 0.09 0.00 0.00 178.44 180.74 2jr2 h GLY 38 N 0.65 1.16 1.25 0.83 0.00 -0.77 0.15 103.07 106.34 2jr2 h GLY 38 Ca 0.17 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 2jr2 h GLY 38 CO -0.03 0.14 -0.22 3.43 0.00 0.00 0.00 176.54 179.86 2jr2 h ASN 39 N 0.75 0.87 -0.32 0.19 2.35 -1.32 -1.61 115.58 116.50 2jr2 h ASN 39 Ca 0.36 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2jr2 h ASN 39 Cb 0.29 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2jr2 h ASN 39 CO -0.22 1.06 0.15 0.00 -1.65 0.00 0.00 177.43 176.77 2jr2 h ALA 40 N 1.01 0.41 -0.18 -0.83 0.00 -0.67 -1.33 119.26 117.68 2jr2 h ALA 40 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jr2 h ALA 40 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jr2 h ALA 40 CO 0.06 -0.03 0.11 0.28 0.00 0.00 0.00 179.25 179.67 2jr2 h VAL 41 N 0.38 1.07 -0.78 0.00 2.07 -0.88 -2.37 116.25 115.75 2jr2 h VAL 41 Ca 0.11 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2jr2 h VAL 41 Cb 0.12 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2jr2 h VAL 41 CO -0.01 0.06 0.51 0.74 0.02 0.00 0.00 177.57 178.89 2jr2 h THR 42 N 0.22 1.12 -0.64 2.57 2.02 -1.14 -0.18 112.91 116.87 2jr2 h THR 42 Ca 0.06 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 2jr2 h THR 42 Cb 0.01 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 2jr2 h THR 42 CO -0.01 0.17 0.12 -1.13 0.37 0.00 0.00 175.52 175.04 2jr2 h ASN 43 N 0.95 0.98 -0.16 4.18 -1.24 -0.90 -0.96 115.58 118.43 2jr2 h ASN 43 Ca 0.31 -0.22 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 2jr2 h ASN 43 Cb 0.04 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.83 2jr2 h ASN 43 CO -0.09 0.97 -0.26 0.40 -1.29 0.00 0.00 177.43 177.16 2jr2 h ILE 44 N 0.98 1.35 0.00 2.57 1.08 -0.77 -3.11 117.51 119.61 2jr2 h ILE 44 Ca 0.20 -1.48 -0.03 0.00 -0.39 0.00 0.00 64.86 63.16 2jr2 h ILE 44 Cb 0.39 1.92 -0.00 0.00 -3.07 0.00 0.00 36.82 36.06 2jr2 h ILE 44 CO 0.01 0.44 -0.14 0.40 -0.69 0.00 0.00 178.15 178.17 2jr2 h ILE 45 N 0.09 0.50 0.00 -0.67 2.04 -0.94 -1.49 117.51 117.04 2jr2 h ILE 45 Ca 0.01 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2jr2 h ILE 45 Cb 0.83 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2jr2 h ILE 45 CO 0.06 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.35 2jr2 n ALA 46 N -2.24 1.87 1.10 1.87 0.00 -0.38 -1.85 120.51 120.88 2jr2 n ALA 46 Ca -0.01 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2jr2 n ALA 46 Cb 0.30 -1.32 0.21 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.56 2.17 -3.41 0.00 6.02 -0.56 -4.92 117.38 115.11 2jr2 n GLN 47 Ca 0.04 -1.69 -0.38 0.00 -0.01 0.00 0.00 57.00 54.96 2jr2 n GLN 47 Cb 0.23 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.98 5.17 0.18 5.09 1.01 -0.77 -5.05 120.40 124.05 2jr2 s VAL 48 Ca 0.31 0.84 -0.32 0.00 0.00 0.00 0.00 61.98 62.81 2jr2 s VAL 48 Cb 0.20 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.72 2jr2 s VAL 48 CO 0.31 0.41 1.68 -2.84 0.00 0.00 0.00 175.10 174.65 2jr2 s PRO 49 N 0.14 4.16 0.21 2.72 0.02 -1.26 -4.54 135.00 136.46 2jr2 s PRO 49 Ca 0.23 2.50 0.04 0.00 0.02 0.00 0.00 61.00 63.80 2jr2 s PRO 49 Cb -0.15 -3.18 0.60 0.00 0.02 0.00 0.00 34.50 31.78 2jr2 s PRO 49 CO 0.10 -0.71 1.03 0.39 -0.33 0.00 0.00 177.00 177.48 2jr2 n GLU 50 N 4.24 -0.05 0.17 5.54 -0.58 -1.26 0.35 120.64 129.06 2jr2 n GLU 50 Ca 0.15 0.97 0.18 0.00 -0.42 0.00 0.00 57.16 58.04 2jr2 n GLU 50 Cb 0.37 -1.58 0.69 0.00 -0.57 0.00 0.00 31.44 30.35 2jr2 n GLU 50 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jr2 h SER 51 N 0.00 0.00 0.00 1.62 0.87 -2.04 -1.26 113.55 112.74 2jr2 h SER 51 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2jr2 h SER 51 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2jr2 h SER 51 CO -0.59 0.00 0.00 2.29 -0.53 0.00 0.00 176.83 178.00 2jr2 n LYS 52 N -3.28 -0.05 -0.06 2.24 2.85 0.16 -4.85 118.16 115.17 2jr2 n LYS 52 Ca 0.05 -0.24 -0.15 0.00 -1.05 0.00 0.00 58.31 56.91 2jr2 n LYS 52 Cb 0.64 -0.62 -0.06 0.00 -0.65 0.00 0.00 35.03 34.34 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 0.78 -0.14 -1.58 2.43 0.90 -2.10 114.38 114.67 2jr2 h ARG 53 Ca 0.00 -0.54 -0.14 0.00 -0.81 0.00 0.00 59.98 58.49 2jr2 h ARG 53 Cb 0.48 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2jr2 h ARG 53 CO 0.00 1.16 -0.51 0.28 -1.51 0.00 0.00 179.97 179.39 2jr2 h VAL 54 N 0.52 1.34 0.03 0.20 2.07 -1.84 -2.49 116.25 116.08 2jr2 h VAL 54 Ca -0.01 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.75 2jr2 h VAL 54 Cb 1.18 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2jr2 h VAL 54 CO 0.12 0.54 -0.01 0.00 0.02 0.00 0.00 177.57 178.23 2jr2 h ALA 55 N 1.15 -0.04 -0.36 1.67 0.00 -1.83 -2.56 119.26 117.29 2jr2 h ALA 55 Ca 0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2jr2 h ALA 55 Cb 1.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2jr2 h ALA 55 CO 0.09 -0.42 -0.26 -0.39 0.00 0.00 0.00 179.25 178.28 2jr2 h VAL 56 N -0.24 1.27 -0.30 0.00 -1.51 -1.33 -0.12 116.25 114.01 2jr2 h VAL 56 Ca -0.00 -1.37 -0.17 0.00 -1.23 0.00 0.00 66.70 63.92 2jr2 h VAL 56 Cb 0.23 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.65 2jr2 h VAL 56 CO 0.01 0.45 -0.49 1.62 -1.23 0.00 0.00 177.57 177.93 2jr2 h VAL 57 N 0.64 1.28 -0.07 7.19 3.04 -1.48 -0.31 116.25 126.54 2jr2 h VAL 57 Ca 0.08 -1.68 -0.21 0.00 -1.01 0.00 0.00 66.70 63.89 2jr2 h VAL 57 Cb 0.76 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 2jr2 h VAL 57 CO 0.06 0.55 -0.80 -0.78 -1.01 0.00 0.00 177.57 175.58 2jr2 h ASP 58 N 0.66 0.62 -0.91 3.17 1.82 -1.38 -2.43 116.42 117.97 2jr2 h ASP 58 Ca 0.03 -0.43 -0.01 0.00 -0.39 0.00 0.00 57.03 56.22 2jr2 h ASP 58 Cb 1.08 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.86 2jr2 h ASP 58 CO 0.11 1.20 0.52 -1.13 -1.61 0.00 0.00 179.24 178.33 2jr2 h ASN 59 N 0.33 1.13 -0.06 2.28 -1.24 -0.92 0.33 115.58 117.44 2jr2 h ASN 59 Ca -0.05 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 56.88 2jr2 h ASN 59 Cb 1.41 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 2jr2 h ASN 59 CO 0.15 0.89 -0.00 0.15 -1.29 0.00 0.00 177.43 177.33 2jr2 h PHE 60 N 1.27 -0.00 0.00 0.67 3.57 -0.91 0.22 116.94 121.77 2jr2 h PHE 60 Ca 0.32 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 2jr2 h PHE 60 Cb 0.00 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2jr2 h PHE 60 CO 0.01 -0.01 -0.34 1.79 -2.23 0.00 0.00 178.31 177.53 2jr2 h THR 61 N 0.02 1.15 0.09 4.41 1.35 -0.96 0.36 112.91 119.33 2jr2 h THR 61 Ca 0.03 -1.20 -0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2jr2 h THR 61 Cb 0.03 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2jr2 h THR 61 CO -0.05 0.33 -0.04 0.50 -0.25 0.00 0.00 175.52 176.01 2jr2 h LYS 62 N 0.00 -0.11 -0.37 4.72 3.64 0.16 -2.54 116.57 122.07 2jr2 h LYS 62 Ca -0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2jr2 h LYS 62 Cb 0.63 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2jr2 h LYS 62 CO 0.04 0.23 0.08 0.00 -2.27 0.00 0.00 179.45 177.54 2jr2 h ALA 63 N 0.39 1.45 0.45 5.00 0.00 -0.27 -1.80 119.26 124.48 2jr2 h ALA 63 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2jr2 h ALA 63 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jr2 h ALA 63 CO 0.02 0.40 -0.30 -0.07 0.00 0.00 0.00 179.25 179.30 2jr2 h LEU 64 N 0.53 -0.76 -1.69 0.00 3.38 -0.87 0.44 115.31 116.34 2jr2 h LEU 64 Ca 0.12 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2jr2 h LEU 64 Cb 0.22 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2jr2 h LEU 64 CO -0.00 -0.46 -0.19 0.11 0.09 0.00 0.00 178.44 177.99 2jr2 h LYS 65 N -0.72 0.00 -0.31 1.13 1.57 -1.23 0.32 116.57 117.33 2jr2 h LYS 65 Ca -0.05 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 2jr2 h LYS 65 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2jr2 h LYS 65 CO 0.03 0.19 -0.52 0.37 -0.57 0.00 0.00 179.45 178.95 2jr2 h GLN 66 N 0.00 0.89 0.16 3.15 4.15 -1.00 -2.27 115.11 120.19 2jr2 h GLN 66 Ca -0.00 -0.55 -0.30 0.00 0.77 0.00 0.00 58.65 58.57 2jr2 h GLN 66 Cb 0.39 0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.15 2jr2 h GLN 66 CO 0.02 1.19 -1.36 0.66 -1.93 0.00 0.00 178.83 177.41 2jr2 h SER 67 N 0.69 0.53 0.35 -0.69 4.64 -0.15 -2.93 113.55 116.00 2jr2 h SER 67 Ca 0.02 -0.60 -0.05 0.00 -0.47 0.00 0.00 61.79 60.69 2jr2 h SER 67 Cb 1.13 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2jr2 h SER 67 CO 0.12 1.47 -0.25 0.58 -0.87 0.00 0.00 176.83 177.88 2jr2 h VAL 68 N 0.09 1.01 -0.01 0.95 2.07 -0.44 0.58 116.25 120.50 2jr2 h VAL 68 Ca -0.19 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.42 2jr2 h VAL 68 Cb 2.03 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2jr2 h VAL 68 CO 0.22 0.24 -0.07 0.18 0.02 0.00 0.00 177.57 178.16 2jr2 n LEU 69 N -4.00 0.69 0.00 2.57 4.32 -0.86 -4.75 117.00 114.98 2jr2 n LEU 69 Ca -0.02 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 2jr2 n LEU 69 Cb 0.32 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 2jr2 n LEU 69 CO 0.36 0.12 0.00 1.21 -1.22 0.00 0.00 177.39 177.86 2jr2 n GLU 70 N -0.65 0.00 -3.14 3.23 4.07 0.16 -4.90 120.64 119.42 2jr2 n GLU 70 Ca 0.17 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.13 2jr2 n GLU 70 Cb 0.27 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.63 2jr2 n GLU 70 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 2jr2 n HIS 71 N 0.00 -1.72 0.16 4.31 1.44 -1.02 -4.80 115.22 113.60 2jr2 n HIS 71 Ca 0.00 0.23 0.03 0.00 -2.01 0.00 0.00 57.72 55.97 2jr2 n HIS 71 Cb 0.00 -1.48 0.40 0.00 0.12 0.00 0.00 29.99 29.03 2jr2 n HIS 71 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2jr2 h HIS 72 N -0.32 0.11 -3.46 -1.40 6.17 -1.90 -3.37 115.15 110.98 2jr2 h HIS 72 Ca -0.22 -0.02 -0.57 0.00 0.71 0.00 0.00 60.37 60.28 2jr2 h HIS 72 Cb 1.14 -0.03 -0.39 0.00 2.52 0.00 0.00 27.41 30.65 2jr2 h HIS 72 CO 0.82 0.34 -0.77 -1.01 0.71 0.00 0.00 177.93 178.01 2jr2 s HIS 73 N -4.51 1.79 -0.09 5.26 3.76 -1.26 -4.97 115.29 115.26 2jr2 s HIS 73 Ca -0.04 -1.38 -0.12 0.00 -0.15 0.00 0.00 55.06 53.37 2jr2 s HIS 73 Cb 0.15 -1.36 -0.28 0.00 1.11 0.00 0.00 32.58 32.20 2jr2 s HIS 73 CO 0.72 -0.71 0.53 1.25 -0.85 0.00 0.00 174.74 175.68 2jr2 h HIS 74 N 8.08 0.54 -3.27 1.40 2.76 -2.00 -3.44 115.15 119.22 2jr2 h HIS 74 Ca -0.17 -0.40 -0.57 0.00 -2.20 0.00 0.00 60.37 57.04 2jr2 h HIS 74 Cb 1.09 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.97 2jr2 h HIS 74 CO 0.40 1.67 0.48 -1.58 -1.30 0.00 0.00 177.93 177.60 2jr2 s HIS 75 N -2.53 3.46 -0.06 5.26 5.65 -1.26 -5.23 115.29 120.58 2jr2 s HIS 75 Ca -0.20 1.41 0.00 0.00 0.25 0.00 0.00 55.06 56.53 2jr2 s HIS 75 Cb 0.05 -3.10 0.00 0.00 -1.18 0.00 0.00 32.58 28.36 2jr2 s HIS 75 CO 0.79 -0.24 0.52 0.72 -0.65 0.00 0.00 174.74 175.88