#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 1.83 -0.36 0.03 0.05 -1.26 -5.03 135.00 130.26 2jr2 s PRO 2 Ca 0.00 -0.24 -0.23 0.00 0.05 0.00 0.00 61.00 60.59 2jr2 s PRO 2 Cb 0.00 -2.06 0.01 0.00 0.05 0.00 0.00 34.50 32.49 2jr2 s PRO 2 CO 0.00 -1.55 0.75 0.42 0.05 0.00 0.00 177.00 176.67 2jr2 s ILE 3 N -3.44 4.77 0.68 0.56 1.09 -1.26 -5.03 121.20 118.56 2jr2 s ILE 3 Ca 0.63 0.82 -0.16 0.00 -1.10 0.00 0.00 60.65 60.85 2jr2 s ILE 3 Cb -0.09 -4.18 0.01 0.00 -1.06 0.00 0.00 42.46 37.14 2jr2 s ILE 3 CO 0.47 -0.40 1.18 0.68 -0.10 0.00 0.00 174.94 176.77 2jr2 s VAL 4 N 3.01 2.64 0.00 2.92 -7.23 -1.26 -5.03 120.40 115.44 2jr2 s VAL 4 Ca 0.30 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 2jr2 s VAL 4 Cb -0.13 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2jr2 s VAL 4 CO 0.16 -0.15 0.00 -1.20 -0.31 0.00 0.00 175.10 173.60 2jr2 n SER 5 N -2.38 0.00 0.00 4.85 7.64 -1.26 -4.96 113.62 117.51 2jr2 n SER 5 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2jr2 n SER 5 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 0.00 0.00 1.43 3.00 -1.26 -4.91 118.16 116.42 2jr2 n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2jr2 n LYS 6 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.34 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2jr2 n TYR 7 N -2.00 -1.51 -2.76 5.64 4.01 -1.26 -4.53 117.16 114.74 2jr2 n TYR 7 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 2jr2 n TYR 7 Cb 0.00 0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 2jr2 n TYR 7 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jr2 s SER 8 N -4.00 6.79 0.22 7.72 0.15 -1.26 -4.93 113.70 118.40 2jr2 s SER 8 Ca 0.00 0.82 -0.07 0.00 0.70 0.00 0.00 55.95 57.40 2jr2 s SER 8 Cb 0.00 -2.49 0.31 0.00 -1.71 0.00 0.00 66.02 62.13 2jr2 s SER 8 CO 0.00 -0.81 1.81 0.78 1.20 0.00 0.00 173.24 176.22 2jr2 h ASN 9 N 8.20 0.61 -0.54 5.45 2.35 -1.98 0.16 115.58 129.83 2jr2 h ASN 9 Ca -0.22 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2jr2 h ASN 9 Cb 1.07 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 2jr2 h ASN 9 CO 0.98 0.37 0.33 -0.33 -1.65 0.00 0.00 177.43 177.13 2jr2 h GLU 10 N 0.74 0.64 -0.43 0.81 3.07 -1.98 -1.37 114.58 116.05 2jr2 h GLU 10 Ca 0.34 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.09 2jr2 h GLU 10 Cb 0.25 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2jr2 h GLU 10 CO -0.21 0.42 -0.00 -0.09 -1.40 0.00 0.00 179.01 177.73 2jr2 h ARG 11 N 0.65 0.76 -0.28 2.33 2.43 -1.64 -1.28 114.38 117.35 2jr2 h ARG 11 Ca 0.21 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2jr2 h ARG 11 Cb 0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2jr2 h ARG 11 CO -0.09 0.84 0.07 0.28 -1.51 0.00 0.00 179.97 179.56 2jr2 h VAL 12 N 0.60 0.89 -0.68 0.20 2.07 -0.40 0.21 116.25 119.14 2jr2 h VAL 12 Ca 0.12 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2jr2 h VAL 12 Cb 0.50 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2jr2 h VAL 12 CO 0.02 0.03 0.25 -0.33 0.02 0.00 0.00 177.57 177.56 2jr2 h GLU 13 N 0.18 1.01 -0.61 1.57 5.08 -1.16 -0.99 114.58 119.67 2jr2 h GLU 13 Ca 0.13 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2jr2 h GLU 13 Cb 0.12 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2jr2 h GLU 13 CO -0.16 0.84 0.25 -0.22 -1.00 0.00 0.00 179.01 178.72 2jr2 h LYS 14 N 0.99 0.91 -0.34 2.33 3.64 -0.43 -0.01 116.57 123.66 2jr2 h LYS 14 Ca 0.23 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2jr2 h LYS 14 Cb 0.22 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2jr2 h LYS 14 CO -0.02 0.77 0.17 0.82 -2.27 0.00 0.00 179.45 178.93 2jr2 h ILE 15 N 0.85 1.15 -0.44 2.00 2.04 -0.12 0.41 117.51 123.40 2jr2 h ILE 15 Ca 0.20 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2jr2 h ILE 15 Cb 0.20 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2jr2 h ILE 15 CO -0.02 0.16 0.25 0.40 0.00 0.00 0.00 178.15 178.95 2jr2 h ILE 16 N 0.41 1.03 -0.57 -0.67 2.04 -1.00 0.09 117.51 118.85 2jr2 h ILE 16 Ca 0.12 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 2jr2 h ILE 16 Cb 0.10 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2jr2 h ILE 16 CO -0.02 0.09 0.04 -0.61 0.00 0.00 0.00 178.15 177.66 2jr2 h GLN 17 N 0.51 0.96 -0.78 2.37 5.75 -0.67 0.40 115.11 123.65 2jr2 h GLN 17 Ca 0.18 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2jr2 h GLN 17 Cb 0.03 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 2jr2 h GLN 17 CO -0.09 0.92 0.34 0.22 -2.65 0.00 0.00 178.83 177.57 2jr2 h ASP 18 N 0.89 1.04 -0.44 -0.69 3.58 0.35 0.40 116.42 121.56 2jr2 h ASP 18 Ca 0.17 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 2jr2 h ASP 18 Cb 0.46 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2jr2 h ASP 18 CO 0.02 0.91 0.04 -0.07 -2.88 0.00 0.00 179.24 177.25 2jr2 h LEU 19 N 1.11 0.73 -1.34 2.28 3.38 -0.65 -2.48 115.31 118.33 2jr2 h LEU 19 Ca 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2jr2 h LEU 19 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2jr2 h LEU 19 CO -0.03 0.83 0.21 -0.07 0.09 0.00 0.00 178.44 179.47 2jr2 h LEU 20 N 0.60 0.59 -0.69 1.67 3.38 -0.26 -1.67 115.31 118.94 2jr2 h LEU 20 Ca 0.13 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2jr2 h LEU 20 Cb 0.43 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2jr2 h LEU 20 CO 0.01 0.52 0.44 0.44 0.09 0.00 0.00 178.44 179.94 2jr2 h ASP 21 N 0.66 0.74 -0.61 -0.43 3.32 0.09 -0.78 116.42 119.42 2jr2 h ASP 21 Ca 0.17 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jr2 h ASP 21 Cb 0.09 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2jr2 h ASP 21 CO -0.02 0.52 0.36 0.58 -1.72 0.00 0.00 179.24 178.96 2jr2 h VAL 22 N 0.88 1.18 -0.73 -1.35 2.07 -0.89 0.32 116.25 117.74 2jr2 h VAL 22 Ca 0.27 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2jr2 h VAL 22 Cb -0.03 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 2jr2 h VAL 22 CO -0.09 0.19 0.37 -0.07 0.02 0.00 0.00 177.57 177.99 2jr2 h LEU 23 N 0.82 0.93 -0.36 2.57 3.38 -0.79 -1.17 115.31 120.69 2jr2 h LEU 23 Ca 0.22 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 2jr2 h LEU 23 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2jr2 h LEU 23 CO -0.04 0.79 -0.81 0.58 0.09 0.00 0.00 178.44 179.04 2jr2 h VAL 24 N 1.01 1.46 -0.98 1.22 2.07 -0.93 -0.85 116.25 119.25 2jr2 h VAL 24 Ca 0.25 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.33 2jr2 h VAL 24 Cb 0.09 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 2jr2 h VAL 24 CO -0.04 0.72 0.63 0.50 0.02 0.00 0.00 177.57 179.40 2jr2 h LYS 25 N 0.14 1.30 -0.00 1.57 3.64 0.17 -1.10 116.57 122.29 2jr2 h LYS 25 Ca -0.04 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2jr2 h LYS 25 Cb 1.41 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2jr2 h LYS 25 CO 0.13 0.88 -0.33 0.39 -2.27 0.00 0.00 179.45 178.25 2jr2 n GLU 26 N -4.38 0.41 -3.71 1.90 -0.58 -0.49 -4.96 120.64 108.83 2jr2 n GLU 26 Ca 0.11 -0.22 -0.24 0.00 -0.42 0.00 0.00 57.16 56.39 2jr2 n GLU 26 Cb 0.03 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.43 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 -1.10 -3.52 -2.24 3.49 1.02 -0.42 -4.91 120.64 112.96 2jr2 n GLU 27 Ca 0.09 0.56 -0.41 0.00 -0.02 0.00 0.00 57.16 57.38 2jr2 n GLU 27 Cb 0.33 -4.85 -0.03 0.00 -0.02 0.00 0.00 31.44 26.87 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 -3.66 3.09 0.39 2.62 -7.23 -0.40 -5.03 120.40 110.18 2jr2 s VAL 28 Ca 0.15 1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 61.17 2jr2 s VAL 28 Cb -0.05 -3.65 -0.09 0.00 0.56 0.00 0.00 36.38 33.16 2jr2 s VAL 28 CO 0.83 0.21 0.83 -0.89 -0.31 0.00 0.00 175.10 175.78 2jr2 s THR 29 N -0.68 4.58 0.14 5.32 2.01 -1.26 -4.80 115.64 120.96 2jr2 s THR 29 Ca 0.51 1.11 -0.23 0.00 0.31 0.00 0.00 61.69 63.39 2jr2 s THR 29 Cb -0.37 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.52 2jr2 s THR 29 CO 0.45 -0.32 1.26 -2.65 -0.69 0.00 0.00 174.62 172.67 2jr2 n PRO 30 N -0.69 -0.32 0.01 4.92 -0.01 -1.26 0.40 135.00 138.05 2jr2 n PRO 30 Ca 0.05 1.24 -0.10 0.00 -0.01 0.00 0.00 63.50 64.68 2jr2 n PRO 30 Cb 0.54 -1.83 -0.03 0.00 -0.01 0.00 0.00 33.50 32.16 2jr2 n PRO 30 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 2jr2 h ASP 31 N 0.00 -0.61 -0.54 2.55 5.19 -2.00 -1.29 116.42 119.72 2jr2 h ASP 31 Ca 0.17 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.69 2jr2 h ASP 31 Cb 0.37 0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.13 2jr2 h ASP 31 CO -0.78 -0.25 0.35 0.25 -3.12 0.00 0.00 179.24 175.69 2jr2 h LEU 32 N -0.27 0.60 -0.03 1.55 5.85 -1.43 -2.24 115.31 119.33 2jr2 h LEU 32 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jr2 h LEU 32 Cb 0.40 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2jr2 h LEU 32 CO -0.26 0.43 0.02 0.00 -0.34 0.00 0.00 178.44 178.29 2jr2 h ALA 33 N 1.21 0.04 -0.73 1.25 0.00 0.31 -1.35 119.26 119.99 2jr2 h ALA 33 Ca 0.21 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2jr2 h ALA 33 Cb -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2jr2 h ALA 33 CO -0.06 -0.46 0.47 -0.07 0.00 0.00 0.00 179.25 179.13 2jr2 h LEU 34 N 0.04 0.80 -0.51 0.00 3.38 -1.10 0.98 115.31 118.90 2jr2 h LEU 34 Ca 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jr2 h LEU 34 Cb -0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2jr2 h LEU 34 CO -0.01 0.56 0.27 -0.03 0.09 0.00 0.00 178.44 179.33 2jr2 h MET 35 N 0.94 0.72 -0.09 1.13 4.05 -1.12 0.11 114.93 120.67 2jr2 h MET 35 Ca 0.28 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 2jr2 h MET 35 Cb -0.05 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.61 2jr2 h MET 35 CO -0.08 0.57 -0.06 0.00 0.23 0.00 0.00 176.91 177.57 2jr2 h LEU 37 N -0.20 0.87 -0.65 0.00 3.38 -0.73 -2.45 115.31 115.52 2jr2 h LEU 37 Ca 0.02 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2jr2 h LEU 37 Cb 0.53 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2jr2 h LEU 37 CO 0.02 0.68 0.40 1.23 0.09 0.00 0.00 178.44 180.86 2jr2 h GLY 38 N 0.98 0.93 1.41 0.83 0.00 -0.76 -1.12 103.07 105.35 2jr2 h GLY 38 Ca 0.26 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 2jr2 h GLY 38 CO -0.05 0.26 -0.16 3.43 0.00 0.00 0.00 176.54 180.02 2jr2 h ASN 39 N 0.79 0.69 -0.20 0.19 2.35 -1.24 -0.27 115.58 117.89 2jr2 h ASN 39 Ca 0.26 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2jr2 h ASN 39 Cb 0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2jr2 h ASN 39 CO -0.10 0.86 0.06 0.00 -1.65 0.00 0.00 177.43 176.60 2jr2 h ALA 40 N 1.20 0.26 0.08 -0.83 0.00 -0.96 -1.76 119.26 117.25 2jr2 h ALA 40 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jr2 h ALA 40 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jr2 h ALA 40 CO 0.04 -0.12 -0.04 0.28 0.00 0.00 0.00 179.25 179.42 2jr2 h VAL 41 N 0.15 0.94 -0.25 0.00 2.07 -1.04 -2.63 116.25 115.51 2jr2 h VAL 41 Ca 0.06 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2jr2 h VAL 41 Cb 0.23 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2jr2 h VAL 41 CO -0.00 0.02 0.18 0.74 0.02 0.00 0.00 177.57 178.53 2jr2 h THR 42 N -0.16 0.87 -0.00 2.57 2.02 -0.97 -1.66 112.91 115.59 2jr2 h THR 42 Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 2jr2 h THR 42 Cb 0.13 0.88 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2jr2 h THR 42 CO 0.02 0.00 -0.34 -1.13 0.37 0.00 0.00 175.52 174.44 2jr2 h ASN 43 N 0.00 0.30 0.99 4.18 -1.24 -1.05 -3.25 115.58 115.52 2jr2 h ASN 43 Ca 0.12 -0.77 -0.10 0.00 0.71 0.00 0.00 56.30 56.25 2jr2 h ASN 43 Cb 0.47 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2jr2 h ASN 43 CO -0.00 1.04 -0.48 -0.29 -1.29 0.00 0.00 177.43 176.41 2jr2 h ILE 44 N -0.40 1.00 0.00 2.57 2.10 -1.08 -2.58 117.51 119.12 2jr2 h ILE 44 Ca -0.04 -1.90 -0.06 0.00 1.08 0.00 0.00 64.86 63.94 2jr2 h ILE 44 Cb 1.09 2.14 -0.01 0.00 -1.09 0.00 0.00 36.82 38.96 2jr2 h ILE 44 CO 0.07 0.47 -0.26 0.40 -1.08 0.00 0.00 178.15 177.75 2jr2 h ILE 45 N 0.00 1.14 0.00 2.19 2.04 -1.42 -1.69 117.51 119.77 2jr2 h ILE 45 Ca -0.00 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2jr2 h ILE 45 Cb 1.11 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2jr2 h ILE 45 CO 0.06 0.26 -0.05 0.00 0.00 0.00 0.00 178.15 178.42 2jr2 h ALA 46 N 1.74 1.02 0.00 1.87 0.00 -1.49 -2.01 119.26 120.38 2jr2 h ALA 46 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2jr2 h ALA 46 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jr2 h ALA 46 CO 0.03 0.07 -0.39 1.96 0.00 0.00 0.00 179.25 180.92 2jr2 h GLN 47 N 0.00 0.00 -6.70 0.00 4.20 -1.34 -3.45 115.11 107.82 2jr2 h GLN 47 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 2jr2 h GLN 47 Cb 0.55 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.35 2jr2 h GLN 47 CO 0.01 0.39 0.57 0.08 -0.67 0.00 0.00 178.83 179.21 2jr2 s VAL 48 N -3.10 3.44 0.32 -0.54 1.01 -0.76 -4.98 120.40 115.80 2jr2 s VAL 48 Ca 0.04 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.99 2jr2 s VAL 48 Cb 0.08 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 2jr2 s VAL 48 CO 0.72 0.22 1.28 -0.81 0.00 0.00 0.00 175.10 176.51 2jr2 n PRO 49 N 2.22 2.03 -0.24 2.72 -0.04 -1.26 -4.56 135.00 135.87 2jr2 n PRO 49 Ca 0.04 0.71 0.17 0.00 -0.04 0.00 0.00 63.50 64.38 2jr2 n PRO 49 Cb 0.44 -2.28 0.48 0.00 -0.04 0.00 0.00 33.50 32.10 2jr2 n PRO 49 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jr2 h GLU 50 N 2.75 0.46 -0.52 0.54 5.08 -1.93 0.31 114.58 121.26 2jr2 h GLU 50 Ca -0.45 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.03 2jr2 h GLU 50 Cb 1.29 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2jr2 h GLU 50 CO 0.64 0.30 0.38 1.03 -1.00 0.00 0.00 179.01 180.36 2jr2 h SER 51 N 0.47 0.01 0.00 1.42 0.87 -2.02 -2.24 113.55 112.05 2jr2 h SER 51 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2jr2 h SER 51 Cb 1.03 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2jr2 h SER 51 CO -0.18 0.00 0.00 2.29 -0.53 0.00 0.00 176.83 178.41 2jr2 n LYS 52 N -4.38 -0.08 0.03 2.24 2.85 -0.09 -4.73 118.16 114.00 2jr2 n LYS 52 Ca 0.10 -0.57 -0.05 0.00 -1.05 0.00 0.00 58.31 56.74 2jr2 n LYS 52 Cb 0.60 -0.87 0.17 0.00 -0.65 0.00 0.00 35.03 34.27 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 0.45 0.00 -1.58 2.43 0.16 -1.62 114.38 114.22 2jr2 h ARG 53 Ca 0.00 -0.21 -0.25 0.00 -0.81 0.00 0.00 59.98 58.72 2jr2 h ARG 53 Cb 0.24 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2jr2 h ARG 53 CO 0.00 0.75 -0.97 0.28 -1.51 0.00 0.00 179.97 178.52 2jr2 h VAL 54 N 0.38 1.30 -0.47 0.20 2.07 -1.84 -3.13 116.25 114.76 2jr2 h VAL 54 Ca 0.04 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2jr2 h VAL 54 Cb 0.81 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2jr2 h VAL 54 CO 0.07 0.68 0.30 0.00 0.02 0.00 0.00 177.57 178.64 2jr2 h ALA 55 N 0.38 0.60 -0.36 1.67 0.00 -1.81 -0.52 119.26 119.22 2jr2 h ALA 55 Ca -0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2jr2 h ALA 55 Cb 1.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2jr2 h ALA 55 CO 0.19 0.06 -0.14 -0.39 0.00 0.00 0.00 179.25 178.97 2jr2 h VAL 56 N 0.63 1.25 0.11 0.00 -1.51 -1.37 -0.62 116.25 114.74 2jr2 h VAL 56 Ca 0.17 -1.14 -0.27 0.00 -1.23 0.00 0.00 66.70 64.24 2jr2 h VAL 56 Cb -0.06 1.13 0.01 0.00 -2.13 0.00 0.00 31.29 30.24 2jr2 h VAL 56 CO -0.04 0.38 -1.18 1.62 -1.23 0.00 0.00 177.57 177.12 2jr2 h VAL 57 N 0.58 1.46 0.04 7.19 3.04 -1.46 -0.82 116.25 126.28 2jr2 h VAL 57 Ca 0.10 -2.88 -0.00 0.00 -1.01 0.00 0.00 66.70 62.91 2jr2 h VAL 57 Cb 0.57 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.67 2jr2 h VAL 57 CO 0.04 0.85 -0.02 0.44 -1.01 0.00 0.00 177.57 177.86 2jr2 h ASP 58 N 0.12 -0.05 0.40 3.17 3.32 -0.93 -1.13 116.42 121.33 2jr2 h ASP 58 Ca -0.13 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 2jr2 h ASP 58 Cb 1.88 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.44 2jr2 h ASP 58 CO 0.20 0.05 -0.32 0.78 -1.72 0.00 0.00 179.24 178.23 2jr2 h ASN 59 N -0.15 0.00 0.23 6.45 2.35 -1.17 0.72 115.58 124.02 2jr2 h ASN 59 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2jr2 h ASN 59 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2jr2 h ASN 59 CO 0.01 0.32 -0.11 0.15 -1.65 0.00 0.00 177.43 176.15 2jr2 h PHE 60 N 0.00 -0.29 -0.08 1.19 3.57 -0.81 0.93 116.94 121.44 2jr2 h PHE 60 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2jr2 h PHE 60 Cb 0.60 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2jr2 h PHE 60 CO 0.00 -0.08 -0.33 1.79 -2.23 0.00 0.00 178.31 177.46 2jr2 h THR 61 N -0.45 1.27 0.44 4.41 1.35 -0.92 -0.38 112.91 118.63 2jr2 h THR 61 Ca -0.03 -1.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.53 2jr2 h THR 61 Cb 0.34 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2jr2 h THR 61 CO 0.05 0.38 -0.21 0.50 -0.25 0.00 0.00 175.52 175.99 2jr2 h LYS 62 N 0.14 -0.57 -0.65 4.72 3.64 -0.69 -2.54 116.57 120.62 2jr2 h LYS 62 Ca 0.02 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2jr2 h LYS 62 Cb 0.66 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2jr2 h LYS 62 CO 0.05 -0.36 0.39 0.00 -2.27 0.00 0.00 179.45 177.25 2jr2 h ALA 63 N -0.07 0.83 0.04 5.00 0.00 -0.54 -2.55 119.26 121.97 2jr2 h ALA 63 Ca -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jr2 h ALA 63 Cb 0.47 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jr2 h ALA 63 CO 0.10 0.31 -0.06 -0.07 0.00 0.00 0.00 179.25 179.53 2jr2 h LEU 64 N 0.88 -0.18 -0.95 0.00 3.38 -1.01 0.54 115.31 117.98 2jr2 h LEU 64 Ca 0.23 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2jr2 h LEU 64 Cb -0.01 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jr2 h LEU 64 CO -0.04 -0.08 0.26 0.11 0.09 0.00 0.00 178.44 178.78 2jr2 h LYS 65 N -0.11 1.03 -0.57 1.13 1.57 -1.50 0.12 116.57 118.24 2jr2 h LYS 65 Ca -0.00 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 2jr2 h LYS 65 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2jr2 h LYS 65 CO -0.02 0.85 0.12 1.96 -0.57 0.00 0.00 179.45 181.79 2jr2 h GLN 66 N 1.00 0.93 -0.23 3.15 7.50 -1.45 -1.72 115.11 124.29 2jr2 h GLN 66 Ca 0.23 -0.23 -0.15 0.00 0.50 0.00 0.00 58.65 58.99 2jr2 h GLN 66 Cb 0.21 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 2jr2 h GLN 66 CO -0.02 0.87 -0.49 1.03 -1.50 0.00 0.00 178.83 178.72 2jr2 h SER 67 N 0.83 0.67 0.17 1.46 0.87 -0.18 -2.51 113.55 114.86 2jr2 h SER 67 Ca 0.18 -0.33 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 2jr2 h SER 67 Cb 0.37 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jr2 h SER 67 CO 0.01 1.05 -0.29 0.58 -0.53 0.00 0.00 176.83 177.64 2jr2 h VAL 68 N 0.49 1.25 -0.15 2.23 2.07 -0.60 0.58 116.25 122.11 2jr2 h VAL 68 Ca 0.02 -1.18 -0.15 0.00 0.82 0.00 0.00 66.70 66.21 2jr2 h VAL 68 Cb 1.03 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2jr2 h VAL 68 CO 0.10 0.35 -0.54 -0.07 0.02 0.00 0.00 177.57 177.43 2jr2 h LEU 69 N 0.17 0.50 0.03 2.57 3.38 -1.13 -0.15 115.31 120.69 2jr2 h LEU 69 Ca 0.03 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 2jr2 h LEU 69 Cb 0.61 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jr2 h LEU 69 CO 0.04 0.94 -0.37 -0.33 0.09 0.00 0.00 178.44 178.82 2jr2 h GLU 70 N 0.35 0.19 -0.88 1.13 4.39 -0.99 -3.25 114.58 115.52 2jr2 h GLU 70 Ca 0.01 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.33 2jr2 h GLU 70 Cb 1.06 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.72 2jr2 h GLU 70 CO 0.10 1.03 0.16 1.58 -1.16 0.00 0.00 179.01 180.71 2jr2 n HIS 71 N -4.41 1.31 -0.28 4.33 -0.00 0.20 -4.26 115.22 112.10 2jr2 n HIS 71 Ca -0.11 -0.75 0.04 0.00 0.46 0.00 0.00 57.72 57.36 2jr2 n HIS 71 Cb 0.59 -0.45 0.18 0.00 -0.12 0.00 0.00 29.99 30.19 2jr2 n HIS 71 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jr2 h HIS 72 N 1.35 0.80 -0.02 1.57 6.17 -1.05 -3.42 115.15 120.55 2jr2 h HIS 72 Ca 0.15 0.03 0.29 0.00 0.71 0.00 0.00 60.37 61.55 2jr2 h HIS 72 Cb 1.59 -0.23 -0.19 0.00 2.52 0.00 0.00 27.41 31.09 2jr2 h HIS 72 CO 0.68 0.29 0.20 -1.01 0.71 0.00 0.00 177.93 178.80 2jr2 s HIS 73 N -6.02 -0.04 -1.22 5.26 3.76 -1.26 -5.06 115.29 110.70 2jr2 s HIS 73 Ca -0.12 0.03 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 2jr2 s HIS 73 Cb 0.20 0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.86 2jr2 s HIS 73 CO 0.78 -0.02 2.15 1.58 -0.85 0.00 0.00 174.74 178.37 2jr2 n HIS 74 N 5.23 2.91 -0.02 1.40 -0.00 -1.26 -4.36 115.22 119.12 2jr2 n HIS 74 Ca 0.02 -2.57 -0.10 0.00 0.46 0.00 0.00 57.72 55.52 2jr2 n HIS 74 Cb 0.57 -2.26 -0.14 0.00 -0.12 0.00 0.00 29.99 28.05 2jr2 n HIS 74 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jr2 h HIS 75 N 6.61 0.06 0.00 1.57 -0.00 -1.97 -3.54 115.15 117.88 2jr2 h HIS 75 Ca 0.53 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.86 2jr2 h HIS 75 Cb 0.63 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 2jr2 h HIS 75 CO 1.41 1.09 0.00 1.58 -0.00 0.00 0.00 177.93 182.01