#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 2.45 -4.84 0.03 -0.02 -1.26 -4.82 135.00 126.54 2jr2 n PRO 2 Ca 0.00 -1.54 -0.25 0.00 -2.02 0.00 0.00 63.50 59.69 2jr2 n PRO 2 Cb 0.00 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 30.88 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 2.71 1.38 -1.45 4.25 1.01 -1.26 -5.05 121.20 122.80 2jr2 s ILE 3 Ca 0.50 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 2jr2 s ILE 3 Cb 0.15 -1.15 0.04 0.00 0.01 0.00 0.00 42.46 41.51 2jr2 s ILE 3 CO -0.04 0.39 2.55 0.52 0.00 0.00 0.00 174.94 178.37 2jr2 n VAL 4 N 2.66 4.69 0.00 2.92 0.31 -1.26 -4.91 118.33 122.73 2jr2 n VAL 4 Ca -0.15 -3.57 0.00 0.00 -0.01 0.00 0.00 64.34 60.61 2jr2 n VAL 4 Cb 0.54 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 2jr2 n VAL 4 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jr2 n SER 5 N 2.94 0.00 0.00 4.52 7.64 -1.26 -0.60 113.62 126.86 2jr2 n SER 5 Ca 0.66 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2jr2 n SER 5 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2jr2 n SER 5 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jr2 n LYS 6 N 0.00 1.11 -4.94 1.43 5.02 -1.26 -5.06 118.16 114.46 2jr2 n LYS 6 Ca 0.00 -0.86 -0.28 0.00 -2.02 0.00 0.00 58.31 55.15 2jr2 n LYS 6 Cb 0.00 -0.77 -0.15 0.00 -0.02 0.00 0.00 35.03 34.09 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2jr2 s TYR 7 N -0.41 2.03 0.37 2.13 2.02 0.23 -5.13 117.35 118.59 2jr2 s TYR 7 Ca 0.00 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 2jr2 s TYR 7 Cb 0.00 -1.26 -0.09 0.00 -0.40 0.00 0.00 41.96 40.21 2jr2 s TYR 7 CO 0.00 0.04 0.81 -1.54 -1.57 0.00 0.00 175.55 173.29 2jr2 s SER 8 N -0.87 6.78 0.28 2.29 1.04 -1.26 -4.41 113.70 117.55 2jr2 s SER 8 Ca 0.09 1.39 -0.03 0.00 0.48 0.00 0.00 55.95 57.87 2jr2 s SER 8 Cb -0.09 -2.42 0.38 0.00 0.10 0.00 0.00 66.02 63.99 2jr2 s SER 8 CO 0.01 -0.29 1.95 0.78 0.98 0.00 0.00 173.24 176.67 2jr2 h ASN 9 N 1.99 1.03 -0.61 7.02 4.21 -1.99 -0.56 115.58 126.67 2jr2 h ASN 9 Ca -0.48 -0.03 0.13 0.00 1.21 0.00 0.00 56.30 57.13 2jr2 h ASN 9 Cb 1.18 -0.26 -0.11 0.00 -1.12 0.00 0.00 38.32 38.01 2jr2 h ASN 9 CO 0.64 0.74 -0.07 -0.08 -1.29 0.00 0.00 177.43 177.37 2jr2 h GLU 10 N 1.21 0.06 -0.11 0.81 4.22 -1.99 0.12 114.58 118.91 2jr2 h GLU 10 Ca 0.33 -0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.57 2jr2 h GLU 10 Cb -0.13 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.12 2jr2 h GLU 10 CO -0.08 0.04 -0.73 -0.09 -2.18 0.00 0.00 179.01 175.97 2jr2 h ARG 11 N 0.06 0.68 -0.12 1.92 2.43 -1.66 -1.53 114.38 116.16 2jr2 h ARG 11 Ca 0.31 -0.59 0.03 0.00 -0.81 0.00 0.00 59.98 58.91 2jr2 h ARG 11 Cb 0.49 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2jr2 h ARG 11 CO -0.57 1.20 -0.05 0.28 -1.51 0.00 0.00 179.97 179.32 2jr2 h VAL 12 N 0.36 0.82 -0.71 0.20 2.07 -0.62 0.20 116.25 118.56 2jr2 h VAL 12 Ca -0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2jr2 h VAL 12 Cb 1.38 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2jr2 h VAL 12 CO 0.15 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.66 2jr2 h GLU 13 N -0.04 1.07 -0.65 1.57 5.08 -0.81 -2.31 114.58 118.49 2jr2 h GLU 13 Ca 0.07 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2jr2 h GLU 13 Cb 0.14 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2jr2 h GLU 13 CO -0.15 0.89 0.21 -0.22 -1.00 0.00 0.00 179.01 178.75 2jr2 h LYS 14 N 1.04 1.01 -0.77 2.33 3.64 -0.64 -0.95 116.57 122.23 2jr2 h LYS 14 Ca 0.23 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2jr2 h LYS 14 Cb 0.25 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2jr2 h LYS 14 CO -0.01 0.88 0.48 0.82 -2.27 0.00 0.00 179.45 179.35 2jr2 h ILE 15 N 0.95 1.21 -0.75 2.00 2.04 -0.27 0.41 117.51 123.09 2jr2 h ILE 15 Ca 0.21 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2jr2 h ILE 15 Cb 0.29 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2jr2 h ILE 15 CO -0.01 0.22 0.41 0.40 0.00 0.00 0.00 178.15 179.17 2jr2 h ILE 16 N 1.06 1.23 -0.27 -0.67 2.04 -1.09 -0.47 117.51 119.33 2jr2 h ILE 16 Ca 0.28 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2jr2 h ILE 16 Cb -0.07 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2jr2 h ILE 16 CO -0.06 0.26 0.13 -0.61 0.00 0.00 0.00 178.15 177.87 2jr2 h GLN 17 N 1.04 0.39 -0.69 2.37 5.75 -0.22 0.16 115.11 123.91 2jr2 h GLN 17 Ca 0.26 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.82 2jr2 h GLN 17 Cb 0.04 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.44 2jr2 h GLN 17 CO -0.04 0.39 0.29 -0.44 -2.65 0.00 0.00 178.83 176.37 2jr2 h ASP 18 N 0.30 0.31 -0.46 -0.69 3.32 0.15 0.79 116.42 120.14 2jr2 h ASP 18 Ca 0.09 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 2jr2 h ASP 18 Cb 0.13 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2jr2 h ASP 18 CO -0.01 0.16 0.13 -0.07 -1.72 0.00 0.00 179.24 177.73 2jr2 h LEU 19 N 0.47 0.68 -0.72 1.55 3.38 -0.73 -2.52 115.31 117.43 2jr2 h LEU 19 Ca 0.36 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jr2 h LEU 19 Cb 0.47 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2jr2 h LEU 19 CO -0.33 0.72 0.47 -0.07 0.09 0.00 0.00 178.44 179.32 2jr2 h LEU 20 N 0.61 0.84 -1.04 1.67 3.38 0.07 -2.02 115.31 118.82 2jr2 h LEU 20 Ca 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jr2 h LEU 20 Cb 0.29 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2jr2 h LEU 20 CO -0.00 0.62 0.46 0.44 0.09 0.00 0.00 178.44 180.05 2jr2 h ASP 21 N 0.98 1.01 -0.39 -0.43 3.32 -0.72 0.84 116.42 121.04 2jr2 h ASP 21 Ca 0.26 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2jr2 h ASP 21 Cb -0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 2jr2 h ASP 21 CO -0.06 0.80 0.23 0.58 -1.72 0.00 0.00 179.24 179.08 2jr2 h VAL 22 N 1.14 1.13 -0.18 -1.35 2.07 -0.99 0.09 116.25 118.16 2jr2 h VAL 22 Ca 0.29 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2jr2 h VAL 22 Cb 0.00 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2jr2 h VAL 22 CO -0.05 0.13 -0.06 -0.07 0.02 0.00 0.00 177.57 177.54 2jr2 h LEU 23 N 0.50 0.37 -0.95 2.57 3.38 -0.76 -2.93 115.31 117.50 2jr2 h LEU 23 Ca 0.14 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2jr2 h LEU 23 Cb 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2jr2 h LEU 23 CO -0.03 0.67 -0.04 0.58 0.09 0.00 0.00 178.44 179.72 2jr2 h VAL 24 N 0.07 1.24 -0.93 1.22 2.07 -0.83 -2.41 116.25 116.68 2jr2 h VAL 24 Ca 0.04 -1.02 0.14 0.00 0.82 0.00 0.00 66.70 66.68 2jr2 h VAL 24 Cb 0.52 0.95 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 2jr2 h VAL 24 CO 0.02 0.35 0.54 0.50 0.02 0.00 0.00 177.57 179.01 2jr2 h LYS 25 N 0.68 0.79 -0.02 1.57 3.64 -0.81 -0.29 116.57 122.13 2jr2 h LYS 25 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2jr2 h LYS 25 Cb 0.47 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2jr2 h LYS 25 CO 0.02 0.52 -0.01 0.39 -2.27 0.00 0.00 179.45 178.11 2jr2 n GLU 26 N -4.74 1.75 -3.87 1.90 -0.58 -1.05 -4.93 120.64 109.12 2jr2 n GLU 26 Ca 0.18 -1.11 -0.27 0.00 -0.42 0.00 0.00 57.16 55.54 2jr2 n GLU 26 Cb 0.40 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.35 -4.84 -2.05 3.49 4.71 -0.12 -4.89 120.64 117.29 2jr2 n GLU 27 Ca 0.18 0.56 -0.41 0.00 -0.01 0.00 0.00 57.16 57.48 2jr2 n GLU 27 Cb 0.40 -5.22 -0.02 0.00 -1.01 0.00 0.00 31.44 25.58 2jr2 n GLU 27 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2jr2 s VAL 28 N -3.51 2.69 0.44 2.62 -7.23 -0.94 -5.02 120.40 109.45 2jr2 s VAL 28 Ca 0.36 0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 61.02 2jr2 s VAL 28 Cb -0.18 -3.39 -0.07 0.00 0.56 0.00 0.00 36.38 33.30 2jr2 s VAL 28 CO 0.84 0.12 0.84 0.42 -0.31 0.00 0.00 175.10 177.01 2jr2 s THR 29 N -0.44 4.71 0.25 5.32 -4.23 -1.26 -4.81 115.64 115.17 2jr2 s THR 29 Ca 0.55 0.81 -0.08 0.00 -1.18 0.00 0.00 61.69 61.79 2jr2 s THR 29 Cb -0.41 -3.73 0.29 0.00 1.34 0.00 0.00 72.50 69.99 2jr2 s THR 29 CO 0.47 -0.59 1.62 -0.65 -0.54 0.00 0.00 174.62 174.93 2jr2 h PRO 30 N 1.10 0.07 -0.11 3.99 0.11 -1.98 0.44 132.00 135.62 2jr2 h PRO 30 Ca -0.47 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2jr2 h PRO 30 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2jr2 h PRO 30 CO 0.63 0.05 0.04 -0.44 -0.21 0.00 0.00 178.00 178.06 2jr2 h ASP 31 N 0.07 0.04 -0.52 -2.05 5.19 -2.00 -0.96 116.42 116.19 2jr2 h ASP 31 Ca 0.41 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.77 2jr2 h ASP 31 Cb 0.71 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2jr2 h ASP 31 CO -0.71 0.04 0.08 0.25 -3.12 0.00 0.00 179.24 175.79 2jr2 h LEU 32 N 0.09 0.83 -0.04 1.55 5.85 -1.56 -2.54 115.31 119.49 2jr2 h LEU 32 Ca 0.04 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2jr2 h LEU 32 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2jr2 h LEU 32 CO -0.05 0.88 -0.04 0.00 -0.34 0.00 0.00 178.44 178.89 2jr2 h ALA 33 N 0.98 -0.01 -0.65 1.25 0.00 0.11 -1.44 119.26 119.51 2jr2 h ALA 33 Ca 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2jr2 h ALA 33 Cb 0.40 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jr2 h ALA 33 CO 0.01 -0.52 0.29 -0.07 0.00 0.00 0.00 179.25 178.95 2jr2 h LEU 34 N -0.06 0.87 -0.82 0.00 3.38 -1.14 0.17 115.31 117.71 2jr2 h LEU 34 Ca 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jr2 h LEU 34 Cb 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2jr2 h LEU 34 CO -0.08 0.78 0.53 -0.03 0.09 0.00 0.00 178.44 179.73 2jr2 h MET 35 N 0.90 1.09 -0.02 1.13 4.05 -1.22 0.15 114.93 121.01 2jr2 h MET 35 Ca 0.22 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 2jr2 h MET 35 Cb 0.16 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2jr2 h MET 35 CO -0.02 0.74 -0.06 0.00 0.23 0.00 0.00 176.91 177.79 2jr2 h LEU 37 N -0.54 -0.28 -1.31 0.00 3.38 -0.54 -1.67 115.31 114.34 2jr2 h LEU 37 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2jr2 h LEU 37 Cb 0.71 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2jr2 h LEU 37 CO 0.01 -0.19 0.11 1.23 0.09 0.00 0.00 178.44 179.69 2jr2 h GLY 38 N -0.30 0.62 0.94 0.83 0.00 -0.82 -0.28 103.07 104.06 2jr2 h GLY 38 Ca -0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2jr2 h GLY 38 CO 0.03 0.30 0.04 -0.57 0.00 0.00 0.00 176.54 176.34 2jr2 h ASN 39 N 0.57 0.66 -0.60 0.19 -0.73 -1.21 -0.85 115.58 113.60 2jr2 h ASN 39 Ca 0.13 -0.28 -0.05 0.00 1.87 0.00 0.00 56.30 57.97 2jr2 h ASN 39 Cb 0.20 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 2jr2 h ASN 39 CO -0.01 0.78 0.17 0.00 -0.37 0.00 0.00 177.43 178.00 2jr2 h ALA 40 N 0.91 0.79 -0.82 1.57 0.00 -0.75 -2.58 119.26 118.38 2jr2 h ALA 40 Ca 0.12 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jr2 h ALA 40 Cb 0.41 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2jr2 h ALA 40 CO 0.01 0.47 0.52 0.28 0.00 0.00 0.00 179.25 180.54 2jr2 h VAL 41 N 0.86 1.12 -0.61 0.00 2.07 -0.85 -2.00 116.25 116.84 2jr2 h VAL 41 Ca 0.19 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2jr2 h VAL 41 Cb 0.31 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2jr2 h VAL 41 CO -0.00 0.19 0.38 0.74 0.02 0.00 0.00 177.57 178.89 2jr2 h THR 42 N 1.02 1.17 -0.00 2.57 2.02 -0.78 -0.05 112.91 118.85 2jr2 h THR 42 Ca 0.33 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 2jr2 h THR 42 Cb 0.02 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2jr2 h THR 42 CO -0.12 0.18 -0.65 0.78 0.37 0.00 0.00 175.52 176.08 2jr2 h ASN 43 N 0.84 0.01 -0.10 4.18 4.21 -1.08 -1.31 115.58 122.34 2jr2 h ASN 43 Ca 0.22 -0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.68 2jr2 h ASN 43 Cb -0.04 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.15 2jr2 h ASN 43 CO -0.04 0.65 -0.10 0.40 -1.29 0.00 0.00 177.43 177.05 2jr2 h ILE 44 N 0.01 1.36 0.00 2.81 1.08 -0.54 -2.97 117.51 119.26 2jr2 h ILE 44 Ca -0.01 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.21 2jr2 h ILE 44 Cb 1.15 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 2jr2 h ILE 44 CO 0.08 0.35 0.00 0.40 -0.69 0.00 0.00 178.15 178.30 2jr2 h ILE 45 N -0.16 0.00 0.00 -0.67 2.04 -1.02 -1.99 117.51 115.71 2jr2 h ILE 45 Ca 0.02 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2jr2 h ILE 45 Cb 0.61 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2jr2 h ILE 45 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.17 2jr2 n ALA 46 N -1.85 1.78 0.77 1.87 0.00 -0.50 -1.76 120.51 120.82 2jr2 n ALA 46 Ca 0.02 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2jr2 n ALA 46 Cb 0.25 -1.39 0.28 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.19 2.04 -3.87 0.00 6.02 -0.75 -4.81 117.38 113.83 2jr2 n GLN 47 Ca 0.03 -1.59 -0.35 0.00 -0.01 0.00 0.00 57.00 55.07 2jr2 n GLN 47 Cb 0.26 -1.42 -0.14 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.59 3.50 0.22 5.09 1.01 -0.72 -5.08 120.40 122.83 2jr2 s VAL 48 Ca 0.34 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 2jr2 s VAL 48 Cb 0.18 -2.67 -0.15 0.00 0.00 0.00 0.00 36.38 33.75 2jr2 s VAL 48 CO 0.26 0.31 1.22 -2.65 0.00 0.00 0.00 175.10 174.24 2jr2 n PRO 49 N 4.80 1.51 -0.34 2.72 -0.02 -1.26 -4.25 135.00 138.16 2jr2 n PRO 49 Ca -0.17 0.54 0.31 0.00 -2.02 0.00 0.00 63.50 62.15 2jr2 n PRO 49 Cb 0.50 -2.06 0.57 0.00 -0.02 0.00 0.00 33.50 32.48 2jr2 n PRO 49 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2jr2 h GLU 50 N 3.34 0.09 -0.89 -0.52 3.07 -1.95 0.43 114.58 118.16 2jr2 h GLU 50 Ca -0.43 -0.01 0.24 0.00 -0.50 0.00 0.00 59.36 58.66 2jr2 h GLU 50 Cb 1.32 -0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 29.07 2jr2 h GLU 50 CO 0.70 0.06 0.32 1.03 -1.40 0.00 0.00 179.01 179.72 2jr2 h SER 51 N 0.09 0.17 -0.01 1.42 0.87 -2.03 -1.59 113.55 112.48 2jr2 h SER 51 Ca 0.82 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.56 2jr2 h SER 51 Cb 2.14 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 64.31 2jr2 h SER 51 CO -0.69 -0.10 -0.20 2.29 -0.53 0.00 0.00 176.83 177.61 2jr2 n LYS 52 N -5.14 2.50 -0.02 2.24 2.85 0.49 -4.61 118.16 116.47 2jr2 n LYS 52 Ca 0.22 -0.47 -0.12 0.00 -1.05 0.00 0.00 58.31 56.90 2jr2 n LYS 52 Cb 0.70 -1.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.01 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 0.79 0.16 -0.17 -1.58 2.43 0.73 -0.04 114.38 116.70 2jr2 h ARG 53 Ca 0.00 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 2jr2 h ARG 53 Cb 0.26 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2jr2 h ARG 53 CO 0.00 0.31 -0.19 0.28 -1.51 0.00 0.00 179.97 178.86 2jr2 h VAL 54 N -0.01 1.22 -0.19 0.20 2.07 -1.78 -1.33 116.25 116.42 2jr2 h VAL 54 Ca 0.03 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 2jr2 h VAL 54 Cb 0.21 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2jr2 h VAL 54 CO -0.00 0.31 -0.13 0.00 0.02 0.00 0.00 177.57 177.76 2jr2 h ALA 55 N 1.55 0.27 -0.14 1.67 0.00 -1.72 -2.16 119.26 118.72 2jr2 h ALA 55 Ca 0.05 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 2jr2 h ALA 55 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jr2 h ALA 55 CO 0.03 0.14 -0.71 -0.39 0.00 0.00 0.00 179.25 178.33 2jr2 h VAL 56 N 0.10 1.32 -0.16 0.00 -1.51 -0.83 -2.54 116.25 112.63 2jr2 h VAL 56 Ca 0.04 -1.99 -0.15 0.00 -1.23 0.00 0.00 66.70 63.37 2jr2 h VAL 56 Cb 0.65 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2jr2 h VAL 56 CO 0.04 0.62 -0.52 1.62 -1.23 0.00 0.00 177.57 178.09 2jr2 h VAL 57 N 0.44 1.33 -0.07 7.19 3.04 -1.30 -1.35 116.25 125.53 2jr2 h VAL 57 Ca -0.03 -1.77 -0.02 0.00 -1.01 0.00 0.00 66.70 63.87 2jr2 h VAL 57 Cb 1.30 1.77 -0.00 0.00 -2.01 0.00 0.00 31.29 32.35 2jr2 h VAL 57 CO 0.14 0.54 -0.02 -0.78 -1.01 0.00 0.00 177.57 176.44 2jr2 h ASP 58 N 0.36 0.14 -0.52 3.17 3.58 -1.38 -1.38 116.42 120.40 2jr2 h ASP 58 Ca 0.01 -0.38 0.01 0.00 0.42 0.00 0.00 57.03 57.09 2jr2 h ASP 58 Cb 1.04 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 2jr2 h ASP 58 CO 0.09 0.49 0.34 0.78 -2.88 0.00 0.00 179.24 178.07 2jr2 h ASN 59 N -0.22 0.59 0.42 2.28 2.35 -1.43 0.42 115.58 119.99 2jr2 h ASN 59 Ca 0.02 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2jr2 h ASN 59 Cb 0.43 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2jr2 h ASN 59 CO 0.01 0.42 -0.24 0.15 -1.65 0.00 0.00 177.43 176.12 2jr2 h PHE 60 N 0.69 -0.63 -0.31 1.19 3.57 -1.02 0.13 116.94 120.56 2jr2 h PHE 60 Ca 0.19 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 2jr2 h PHE 60 Cb -0.06 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2jr2 h PHE 60 CO -0.00 -0.38 -0.31 1.79 -2.23 0.00 0.00 178.31 177.18 2jr2 h THR 61 N -0.63 1.28 -0.59 4.41 1.35 -0.56 -0.41 112.91 117.77 2jr2 h THR 61 Ca -0.05 -1.43 -0.10 0.00 -0.55 0.00 0.00 66.41 64.29 2jr2 h THR 61 Cb 0.51 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 2jr2 h THR 61 CO 0.06 0.46 -0.01 0.50 -0.25 0.00 0.00 175.52 176.29 2jr2 h LYS 62 N 0.55 1.04 -0.49 4.72 3.64 -0.13 -0.15 116.57 125.76 2jr2 h LYS 62 Ca 0.07 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 2jr2 h LYS 62 Cb 0.80 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2jr2 h LYS 62 CO 0.07 1.02 0.11 0.00 -2.27 0.00 0.00 179.45 178.37 2jr2 h ALA 63 N 1.03 0.65 -0.36 5.00 0.00 -0.44 -2.52 119.26 122.62 2jr2 h ALA 63 Ca 0.17 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2jr2 h ALA 63 Cb 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jr2 h ALA 63 CO 0.03 0.35 0.16 -0.07 0.00 0.00 0.00 179.25 179.72 2jr2 h LEU 64 N 0.68 0.21 -0.27 0.00 3.38 -0.76 -1.49 115.31 117.06 2jr2 h LEU 64 Ca 0.15 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2jr2 h LEU 64 Cb 0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2jr2 h LEU 64 CO 0.00 0.16 0.10 0.11 0.09 0.00 0.00 178.44 178.90 2jr2 h LYS 65 N 0.33 0.21 0.00 1.13 1.57 -0.86 0.13 116.57 119.08 2jr2 h LYS 65 Ca 0.16 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2jr2 h LYS 65 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2jr2 h LYS 65 CO -0.13 0.14 0.00 -0.56 -0.57 0.00 0.00 179.45 178.33 2jr2 h GLN 66 N 0.22 0.00 0.18 3.15 -0.00 -1.30 -1.17 115.11 116.18 2jr2 h GLN 66 Ca 0.12 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.49 2jr2 h GLN 66 Cb 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.58 2jr2 h GLN 66 CO -0.12 0.00 -1.29 0.77 -0.00 0.00 0.00 178.83 178.20 2jr2 h SER 67 N 0.00 0.59 0.57 0.06 0.02 -0.18 -3.24 113.55 111.37 2jr2 h SER 67 Ca 0.00 -0.92 -0.15 0.00 -0.84 0.00 0.00 61.79 59.88 2jr2 h SER 67 Cb 0.56 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2jr2 h SER 67 CO 0.00 1.60 -0.69 0.58 -1.14 0.00 0.00 176.83 177.19 2jr2 h VAL 68 N -0.13 1.46 0.00 2.27 2.07 -0.63 -2.10 116.25 119.19 2jr2 h VAL 68 Ca -0.24 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.02 2jr2 h VAL 68 Cb 1.90 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 2jr2 h VAL 68 CO 0.17 0.65 0.00 0.18 0.02 0.00 0.00 177.57 178.60 2jr2 n LEU 69 N -3.77 0.00 -4.19 2.57 4.77 -0.46 -4.72 117.00 111.20 2jr2 n LEU 69 Ca -0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2jr2 n LEU 69 Cb 0.67 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.66 2jr2 n LEU 69 CO 0.44 0.00 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.39 2jr2 s GLU 70 N -2.00 0.89 -0.23 3.23 2.56 -0.79 -5.03 118.70 117.33 2jr2 s GLU 70 Ca 0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 54.97 53.74 2jr2 s GLU 70 Cb 0.02 -0.51 0.12 0.00 2.00 0.00 0.00 34.13 35.76 2jr2 s GLU 70 CO 0.04 0.07 0.39 -3.38 -0.56 0.00 0.00 175.26 171.82 2jr2 s HIS 71 N -2.78 -0.82 -0.27 5.30 -3.43 -1.26 -4.89 115.29 107.14 2jr2 s HIS 71 Ca 0.09 1.07 -0.24 0.00 -0.80 0.00 0.00 55.06 55.17 2jr2 s HIS 71 Cb -0.01 0.11 0.08 0.00 -1.43 0.00 0.00 32.58 31.33 2jr2 s HIS 71 CO -0.00 -0.64 0.74 -3.38 -2.00 0.00 0.00 174.74 169.46 2jr2 s HIS 72 N 2.57 -0.79 0.00 0.38 -3.43 -1.26 -5.10 115.29 107.66 2jr2 s HIS 72 Ca 0.08 1.88 0.00 0.00 -0.80 0.00 0.00 55.06 56.22 2jr2 s HIS 72 Cb -0.14 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 2jr2 s HIS 72 CO -0.15 -0.38 0.00 0.72 -2.00 0.00 0.00 174.74 172.93 2jr2 n HIS 73 N 2.79 0.00 -1.68 0.38 8.25 -1.26 -5.02 115.22 118.68 2jr2 n HIS 73 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2jr2 n HIS 73 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2jr2 n HIS 73 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jr2 n HIS 74 N -0.51 0.00 -2.88 4.41 8.25 -1.26 -5.07 115.22 118.16 2jr2 n HIS 74 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 2jr2 n HIS 74 Cb 0.00 0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.22 2jr2 n HIS 74 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jr2 n HIS 75 N 0.00 -3.46 0.69 4.41 -0.00 -1.26 -5.37 115.22 110.24 2jr2 n HIS 75 Ca 0.00 1.45 0.08 0.00 0.46 0.00 0.00 57.72 59.71 2jr2 n HIS 75 Cb 0.51 -3.77 0.07 0.00 -0.12 0.00 0.00 29.99 26.68 2jr2 n HIS 75 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52