#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 -2.86 -1.48 2.12 -0.04 -1.26 -4.77 135.00 126.72 2jr2 n PRO 2 Ca 0.00 -0.61 -0.53 0.00 -0.04 0.00 0.00 63.50 62.32 2jr2 n PRO 2 Cb 0.00 -0.84 -0.08 0.00 -0.04 0.00 0.00 33.50 32.54 2jr2 n PRO 2 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2jr2 n ILE 3 N -4.15 0.20 -3.58 0.52 3.06 -1.26 -4.90 119.36 109.25 2jr2 n ILE 3 Ca 0.06 -0.18 -0.40 0.00 -2.50 0.00 0.00 62.75 59.73 2jr2 n ILE 3 Cb 0.25 -1.41 -0.11 0.00 0.54 0.00 0.00 39.64 38.91 2jr2 n ILE 3 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2jr2 s VAL 4 N 6.30 4.92 -2.44 9.51 0.11 -1.26 -4.91 120.40 132.63 2jr2 s VAL 4 Ca 1.08 -0.41 0.22 0.00 -2.93 0.00 0.00 61.98 59.95 2jr2 s VAL 4 Cb -0.99 -3.56 0.42 0.00 -1.53 0.00 0.00 36.38 30.73 2jr2 s VAL 4 CO 0.55 -0.03 1.47 -1.54 -3.33 0.00 0.00 175.10 172.22 2jr2 n SER 5 N 5.05 2.49 -0.56 3.54 3.41 -1.26 -4.91 113.62 121.38 2jr2 n SER 5 Ca -0.13 -1.84 -0.07 0.00 -0.26 0.00 0.00 58.87 56.57 2jr2 n SER 5 Cb 0.49 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.87 -1.25 -1.32 4.33 5.02 -1.26 -4.56 118.16 119.99 2jr2 n LYS 6 Ca 0.17 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 2jr2 n LYS 6 Cb 0.47 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jr2 n TYR 7 N -2.42 -3.23 -2.50 2.13 4.01 -1.26 -4.83 117.16 109.06 2jr2 n TYR 7 Ca -0.07 1.76 -0.43 0.00 -0.16 0.00 0.00 57.90 59.00 2jr2 n TYR 7 Cb 0.42 -3.00 -0.02 0.00 -0.31 0.00 0.00 39.34 36.43 2jr2 n TYR 7 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2jr2 s SER 8 N -1.30 6.49 0.25 7.72 0.01 -1.26 -4.89 113.70 120.72 2jr2 s SER 8 Ca 0.00 0.57 -0.03 0.00 1.31 0.00 0.00 55.95 57.80 2jr2 s SER 8 Cb 0.00 -2.55 0.49 0.00 0.21 0.00 0.00 66.02 64.17 2jr2 s SER 8 CO 0.00 -1.35 1.74 -1.13 0.41 0.00 0.00 173.24 172.91 2jr2 h ASN 9 N 9.86 0.38 -0.71 2.44 -1.24 -1.97 0.57 115.58 124.91 2jr2 h ASN 9 Ca -0.25 0.10 0.04 0.00 0.71 0.00 0.00 56.30 56.90 2jr2 h ASN 9 Cb 1.08 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 40.14 2jr2 h ASN 9 CO 1.12 0.15 0.44 -0.08 -1.29 0.00 0.00 177.43 177.77 2jr2 h GLU 10 N 0.51 0.82 -0.27 6.67 4.81 -1.98 0.19 114.58 125.33 2jr2 h GLU 10 Ca 0.43 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.57 2jr2 h GLU 10 Cb 0.64 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2jr2 h GLU 10 CO -0.39 0.54 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.34 2jr2 h ARG 11 N 0.85 0.48 -0.53 1.92 2.43 -1.38 0.20 114.38 118.35 2jr2 h ARG 11 Ca 0.29 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2jr2 h ARG 11 Cb 0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2jr2 h ARG 11 CO -0.12 0.65 0.34 0.28 -1.51 0.00 0.00 179.97 179.61 2jr2 h VAL 12 N 0.26 1.11 -0.81 0.20 2.07 -0.65 0.15 116.25 118.59 2jr2 h VAL 12 Ca 0.07 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.42 2jr2 h VAL 12 Cb 0.44 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 2jr2 h VAL 12 CO 0.02 0.13 0.49 -0.08 0.02 0.00 0.00 177.57 178.14 2jr2 h GLU 13 N 0.69 0.86 -0.04 1.57 4.81 -0.44 -0.97 114.58 121.05 2jr2 h GLU 13 Ca 0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2jr2 h GLU 13 Cb -0.05 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 2jr2 h GLU 13 CO -0.06 0.57 0.00 -0.22 -0.73 0.00 0.00 179.01 178.57 2jr2 h LYS 14 N 0.88 0.08 -0.66 1.92 3.64 -0.13 -2.02 116.57 120.28 2jr2 h LYS 14 Ca 0.36 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 2jr2 h LYS 14 Cb 0.19 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 2jr2 h LYS 14 CO -0.18 0.34 0.37 0.82 -2.27 0.00 0.00 179.45 178.53 2jr2 h ILE 15 N -0.20 0.97 -0.93 2.00 2.04 -0.34 0.36 117.51 121.41 2jr2 h ILE 15 Ca 0.01 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2jr2 h ILE 15 Cb 0.30 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2jr2 h ILE 15 CO 0.00 0.12 0.56 0.40 0.00 0.00 0.00 178.15 179.24 2jr2 h ILE 16 N 0.68 1.25 -0.26 -0.67 2.04 -1.17 -0.98 117.51 118.40 2jr2 h ILE 16 Ca 0.29 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2jr2 h ILE 16 Cb 0.17 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2jr2 h ILE 16 CO -0.18 0.26 0.06 -0.61 0.00 0.00 0.00 178.15 177.68 2jr2 h GLN 17 N 1.27 0.42 -0.89 2.37 5.75 -0.28 -0.64 115.11 123.11 2jr2 h GLN 17 Ca 0.33 -0.10 0.06 0.00 -0.15 0.00 0.00 58.65 58.79 2jr2 h GLN 17 Cb -0.06 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.38 2jr2 h GLN 17 CO -0.06 0.52 0.58 -0.44 -2.65 0.00 0.00 178.83 176.78 2jr2 h ASP 18 N 0.24 0.90 -0.40 -0.69 3.32 -0.02 0.31 116.42 120.08 2jr2 h ASP 18 Ca 0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2jr2 h ASP 18 Cb 0.30 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2jr2 h ASP 18 CO 0.00 0.58 0.07 -0.07 -1.72 0.00 0.00 179.24 178.11 2jr2 h LEU 19 N 1.02 0.62 -1.06 1.55 3.38 -0.89 -2.47 115.31 117.46 2jr2 h LEU 19 Ca 0.38 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2jr2 h LEU 19 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2jr2 h LEU 19 CO -0.14 0.71 0.21 -0.07 0.09 0.00 0.00 178.44 179.24 2jr2 h LEU 20 N 0.50 0.81 -0.65 1.67 3.38 0.18 -2.31 115.31 118.90 2jr2 h LEU 20 Ca 0.12 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jr2 h LEU 20 Cb 0.35 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2jr2 h LEU 20 CO 0.01 0.75 0.40 0.44 0.09 0.00 0.00 178.44 180.13 2jr2 h ASP 21 N 0.86 0.66 -0.74 -0.43 3.32 -0.22 -0.90 116.42 118.98 2jr2 h ASP 21 Ca 0.20 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2jr2 h ASP 21 Cb 0.22 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2jr2 h ASP 21 CO -0.01 0.46 0.39 0.58 -1.72 0.00 0.00 179.24 178.94 2jr2 h VAL 22 N 0.79 1.23 -0.41 -1.35 2.07 -1.00 0.28 116.25 117.87 2jr2 h VAL 22 Ca 0.26 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2jr2 h VAL 22 Cb 0.01 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2jr2 h VAL 22 CO -0.10 0.26 0.25 -0.07 0.02 0.00 0.00 177.57 177.93 2jr2 h LEU 23 N 1.02 0.48 -0.51 2.57 3.38 -0.85 -1.09 115.31 120.31 2jr2 h LEU 23 Ca 0.26 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 2jr2 h LEU 23 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2jr2 h LEU 23 CO -0.04 0.38 -0.21 0.58 0.09 0.00 0.00 178.44 179.24 2jr2 h VAL 24 N 0.54 1.27 -0.71 1.22 2.07 -0.93 -1.08 116.25 118.62 2jr2 h VAL 24 Ca 0.15 -1.37 0.13 0.00 0.82 0.00 0.00 66.70 66.43 2jr2 h VAL 24 Cb -0.02 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2jr2 h VAL 24 CO -0.03 0.47 0.48 0.50 0.02 0.00 0.00 177.57 179.01 2jr2 h LYS 25 N 0.86 0.43 -0.00 1.57 3.64 0.05 -1.48 116.57 121.64 2jr2 h LYS 25 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2jr2 h LYS 25 Cb 0.78 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2jr2 h LYS 25 CO 0.06 0.29 -0.92 0.39 -2.27 0.00 0.00 179.45 177.00 2jr2 n GLU 26 N -4.48 0.02 -3.70 1.90 -0.58 -0.46 -4.97 120.64 108.38 2jr2 n GLU 26 Ca 0.13 -0.02 -0.23 0.00 -0.42 0.00 0.00 57.16 56.62 2jr2 n GLU 26 Cb 0.46 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.47 -5.60 -1.95 3.49 -0.58 -0.45 -4.86 120.64 109.21 2jr2 n GLU 27 Ca 0.04 0.67 -0.42 0.00 -0.42 0.00 0.00 57.16 57.03 2jr2 n GLU 27 Cb 0.33 -5.42 -0.03 0.00 -0.57 0.00 0.00 31.44 25.76 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 -3.51 3.49 0.57 2.62 -7.23 -0.94 -4.99 120.40 110.42 2jr2 s VAL 28 Ca 0.20 0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 60.77 2jr2 s VAL 28 Cb -0.10 -3.39 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 2jr2 s VAL 28 CO 0.80 -0.07 1.18 0.28 -0.31 0.00 0.00 175.10 176.98 2jr2 s THR 29 N 4.26 2.84 0.33 5.32 -1.32 -1.26 -4.64 115.64 121.17 2jr2 s THR 29 Ca 0.76 0.53 0.08 0.00 -1.21 0.00 0.00 61.69 61.85 2jr2 s THR 29 Cb -0.34 -3.21 0.39 0.00 -1.51 0.00 0.00 72.50 67.82 2jr2 s THR 29 CO 0.31 -0.11 1.58 -0.65 -2.21 0.00 0.00 174.62 173.54 2jr2 h PRO 30 N 1.02 0.02 0.45 7.08 0.11 -1.98 0.34 132.00 139.04 2jr2 h PRO 30 Ca -0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jr2 h PRO 30 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2jr2 h PRO 30 CO 0.56 0.02 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.58 2jr2 h ASP 31 N 0.02 -0.91 -0.57 -2.05 5.19 -1.99 -1.00 116.42 115.11 2jr2 h ASP 31 Ca 0.68 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 57.12 2jr2 h ASP 31 Cb 1.54 0.29 -0.03 0.00 0.18 0.00 0.00 39.33 41.32 2jr2 h ASP 31 CO -0.86 -0.51 0.24 0.25 -3.12 0.00 0.00 179.24 175.24 2jr2 h LEU 32 N -0.79 0.78 0.62 1.55 5.85 -1.18 -0.89 115.31 121.25 2jr2 h LEU 32 Ca -0.04 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2jr2 h LEU 32 Cb 0.67 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2jr2 h LEU 32 CO -0.00 0.73 -0.39 0.00 -0.34 0.00 0.00 178.44 178.44 2jr2 h ALA 33 N 1.08 -0.99 -0.21 1.25 0.00 -0.35 -0.64 119.26 119.41 2jr2 h ALA 33 Ca 0.19 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2jr2 h ALA 33 Cb 0.19 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jr2 h ALA 33 CO -0.02 -1.07 -0.18 -0.07 0.00 0.00 0.00 179.25 177.91 2jr2 h LEU 34 N -0.96 0.35 -0.07 0.00 3.38 -1.14 0.50 115.31 117.37 2jr2 h LEU 34 Ca -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2jr2 h LEU 34 Cb 0.78 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2jr2 h LEU 34 CO 0.07 0.55 0.02 -0.03 0.09 0.00 0.00 178.44 179.13 2jr2 h MET 35 N 0.33 0.11 -0.35 1.13 4.05 -0.97 0.17 114.93 119.41 2jr2 h MET 35 Ca 0.06 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 2jr2 h MET 35 Cb 0.51 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 2jr2 h MET 35 CO 0.03 0.29 -0.09 0.00 0.23 0.00 0.00 176.91 177.38 2jr2 h LEU 37 N 0.46 0.47 -0.46 0.00 3.38 -0.85 0.38 115.31 118.68 2jr2 h LEU 37 Ca 0.09 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jr2 h LEU 37 Cb 0.60 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2jr2 h LEU 37 CO 0.04 0.40 0.26 1.23 0.09 0.00 0.00 178.44 180.45 2jr2 h GLY 38 N 0.51 0.64 1.33 0.83 0.00 -0.61 -0.20 103.07 105.56 2jr2 h GLY 38 Ca 0.14 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.15 2jr2 h GLY 38 CO -0.02 0.15 -0.29 3.43 0.00 0.00 0.00 176.54 179.80 2jr2 h ASN 39 N 0.51 0.78 -0.01 0.19 2.35 -1.22 -0.83 115.58 117.35 2jr2 h ASN 39 Ca 0.19 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2jr2 h ASN 39 Cb 0.05 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2jr2 h ASN 39 CO -0.11 1.03 0.01 0.00 -1.65 0.00 0.00 177.43 176.71 2jr2 h ALA 40 N 1.02 0.01 -0.78 -0.83 0.00 -0.51 -0.78 119.26 117.40 2jr2 h ALA 40 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jr2 h ALA 40 Cb 0.82 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2jr2 h ALA 40 CO 0.07 -0.47 0.42 0.28 0.00 0.00 0.00 179.25 179.54 2jr2 h VAL 41 N -0.01 1.23 -0.61 0.00 2.07 -0.95 -1.61 116.25 116.37 2jr2 h VAL 41 Ca 0.00 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 66.99 2jr2 h VAL 41 Cb 0.02 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 2jr2 h VAL 41 CO -0.00 0.26 0.32 0.74 0.02 0.00 0.00 177.57 178.91 2jr2 h THR 42 N 1.08 0.94 -0.44 2.57 2.02 -0.83 -0.38 112.91 117.88 2jr2 h THR 42 Ca 0.27 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 2jr2 h THR 42 Cb 0.04 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2jr2 h THR 42 CO -0.04 0.11 -0.07 -1.13 0.37 0.00 0.00 175.52 174.76 2jr2 h ASN 43 N 0.59 0.74 -0.03 4.18 -1.24 -0.70 0.39 115.58 119.52 2jr2 h ASN 43 Ca 0.27 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 2jr2 h ASN 43 Cb 0.19 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 2jr2 h ASN 43 CO -0.19 0.85 0.01 0.40 -1.29 0.00 0.00 177.43 177.22 2jr2 h ILE 44 N 0.70 1.14 0.00 2.57 1.08 -0.48 -2.86 117.51 119.66 2jr2 h ILE 44 Ca 0.13 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2jr2 h ILE 44 Cb 0.53 1.37 -0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2jr2 h ILE 44 CO 0.03 0.11 -0.11 0.40 -0.69 0.00 0.00 178.15 177.90 2jr2 h ILE 45 N -0.12 0.24 0.00 -0.67 2.04 -0.96 -2.39 117.51 115.64 2jr2 h ILE 45 Ca 0.01 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2jr2 h ILE 45 Cb 0.17 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2jr2 h ILE 45 CO -0.00 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.25 2jr2 h ALA 46 N 1.89 1.00 -0.00 1.87 0.00 -0.70 -1.31 119.26 122.02 2jr2 h ALA 46 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jr2 h ALA 46 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jr2 h ALA 46 CO 0.01 0.00 -0.14 1.04 0.00 0.00 0.00 179.25 180.16 2jr2 n GLN 47 N -2.85 0.17 -3.29 0.00 6.02 -0.90 -4.75 117.38 111.78 2jr2 n GLN 47 Ca 0.01 -0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.57 2jr2 n GLN 47 Cb 0.29 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 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 -2.86 5.16 0.25 5.09 1.01 -0.49 -5.04 120.40 123.51 2jr2 s VAL 48 Ca 0.17 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 2jr2 s VAL 48 Cb 0.19 -3.82 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 2jr2 s VAL 48 CO 0.56 0.26 1.21 -2.65 0.00 0.00 0.00 175.10 174.48 2jr2 n PRO 49 N 4.14 1.60 0.30 2.72 -0.02 -1.26 -4.59 135.00 137.89 2jr2 n PRO 49 Ca -0.06 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.17 2jr2 n PRO 49 Cb 0.51 -2.09 0.99 0.00 -0.02 0.00 0.00 33.50 32.89 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 3.15 0.00 -0.47 -0.52 5.08 -1.93 0.18 114.58 120.06 2jr2 h GLU 50 Ca -0.43 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2jr2 h GLU 50 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2jr2 h GLU 50 CO 0.68 0.00 0.31 1.03 -1.00 0.00 0.00 179.01 180.04 2jr2 h SER 51 N 0.00 0.54 0.00 1.42 0.87 -2.03 -3.10 113.55 111.25 2jr2 h SER 51 Ca 0.03 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2jr2 h SER 51 Cb 0.32 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2jr2 h SER 51 CO -0.00 0.39 -0.08 2.29 -0.53 0.00 0.00 176.83 178.90 2jr2 n LYS 52 N -4.47 1.43 0.12 2.24 2.85 0.42 -4.73 118.16 116.03 2jr2 n LYS 52 Ca 0.04 -1.78 -0.19 0.00 -1.05 0.00 0.00 58.31 55.34 2jr2 n LYS 52 Cb 0.06 -1.08 -0.15 0.00 -0.65 0.00 0.00 35.03 33.22 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 0.36 -0.61 -1.58 2.43 -0.88 -3.21 114.38 110.90 2jr2 h ARG 53 Ca 0.00 -0.61 -0.09 0.00 -0.81 0.00 0.00 59.98 58.47 2jr2 h ARG 53 Cb 0.92 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2jr2 h ARG 53 CO 0.00 1.29 0.02 0.28 -1.51 0.00 0.00 179.97 180.05 2jr2 h VAL 54 N 0.10 1.26 -0.02 0.20 2.07 -1.85 -1.51 116.25 116.50 2jr2 h VAL 54 Ca -0.18 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 2jr2 h VAL 54 Cb 2.04 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2jr2 h VAL 54 CO 0.23 0.41 0.01 0.00 0.02 0.00 0.00 177.57 178.24 2jr2 h ALA 55 N 1.05 0.03 -0.26 1.67 0.00 -1.89 -1.93 119.26 117.93 2jr2 h ALA 55 Ca 0.18 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 2jr2 h ALA 55 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jr2 h ALA 55 CO 0.03 -0.45 -0.47 -0.39 0.00 0.00 0.00 179.25 177.97 2jr2 h VAL 56 N -0.02 1.29 -0.13 0.00 -1.51 -1.52 -1.91 116.25 112.46 2jr2 h VAL 56 Ca 0.01 -1.67 -0.11 0.00 -1.23 0.00 0.00 66.70 63.70 2jr2 h VAL 56 Cb 0.05 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 2jr2 h VAL 56 CO -0.00 0.54 -0.40 1.62 -1.23 0.00 0.00 177.57 178.10 2jr2 h VAL 57 N 0.53 1.30 -0.02 7.19 3.04 -1.29 -0.23 116.25 126.78 2jr2 h VAL 57 Ca 0.02 -1.50 -0.22 0.00 -1.01 0.00 0.00 66.70 63.98 2jr2 h VAL 57 Cb 1.08 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 2jr2 h VAL 57 CO 0.11 0.45 -0.92 -0.78 -1.01 0.00 0.00 177.57 175.42 2jr2 h ASP 58 N 0.24 0.59 0.12 3.17 3.58 -1.30 -2.21 116.42 120.61 2jr2 h ASP 58 Ca 0.02 -0.45 -0.17 0.00 0.42 0.00 0.00 57.03 56.85 2jr2 h ASP 58 Cb 0.81 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2jr2 h ASP 58 CO 0.06 1.24 -0.63 0.78 -2.88 0.00 0.00 179.24 177.82 2jr2 h ASN 59 N 0.27 0.56 0.37 2.28 2.35 -1.18 0.65 115.58 120.88 2jr2 h ASN 59 Ca -0.08 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2jr2 h ASN 59 Cb 1.55 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.75 2jr2 h ASN 59 CO 0.16 1.05 -0.24 0.15 -1.65 0.00 0.00 177.43 176.90 2jr2 h PHE 60 N 0.36 -0.63 -0.37 1.19 3.57 -1.01 -0.31 116.94 119.74 2jr2 h PHE 60 Ca -0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 2jr2 h PHE 60 Cb 1.18 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 2jr2 h PHE 60 CO 0.05 -0.37 -0.25 1.79 -2.23 0.00 0.00 178.31 177.29 2jr2 h THR 61 N -0.59 1.27 -0.37 4.41 1.35 -1.38 0.23 112.91 117.83 2jr2 h THR 61 Ca -0.04 -1.37 0.05 0.00 -0.55 0.00 0.00 66.41 64.50 2jr2 h THR 61 Cb 0.49 1.26 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 2jr2 h THR 61 CO 0.03 0.46 0.11 0.50 -0.25 0.00 0.00 175.52 176.37 2jr2 h LYS 62 N 0.65 0.25 -0.32 4.72 3.64 -0.77 -2.00 116.57 122.74 2jr2 h LYS 62 Ca 0.08 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 2jr2 h LYS 62 Cb 0.77 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2jr2 h LYS 62 CO 0.06 0.16 -0.30 0.00 -2.27 0.00 0.00 179.45 177.11 2jr2 h ALA 63 N 1.25 0.89 0.57 5.00 0.00 -0.67 -2.55 119.26 123.76 2jr2 h ALA 63 Ca 0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2jr2 h ALA 63 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jr2 h ALA 63 CO -0.19 0.63 -0.50 -0.07 0.00 0.00 0.00 179.25 179.11 2jr2 h LEU 64 N 0.57 -1.34 -1.40 0.00 3.38 -0.60 0.37 115.31 116.28 2jr2 h LEU 64 Ca 0.07 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2jr2 h LEU 64 Cb 0.79 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2jr2 h LEU 64 CO 0.07 -0.69 0.28 0.11 0.09 0.00 0.00 178.44 178.29 2jr2 h LYS 65 N -1.05 0.68 -0.11 1.13 1.57 -1.38 -0.96 116.57 116.44 2jr2 h LYS 65 Ca -0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2jr2 h LYS 65 Cb 0.90 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2jr2 h LYS 65 CO -0.02 0.50 0.04 0.37 -0.57 0.00 0.00 179.45 179.77 2jr2 h GLN 66 N 0.69 0.16 0.00 3.15 4.15 -1.26 -1.01 115.11 120.99 2jr2 h GLN 66 Ca 0.18 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2jr2 h GLN 66 Cb 0.02 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2jr2 h GLN 66 CO -0.03 0.29 0.00 0.43 -1.93 0.00 0.00 178.83 177.59 2jr2 n SER 67 N -4.90 0.00 -0.08 -0.69 7.64 0.10 -1.60 113.62 114.09 2jr2 n SER 67 Ca -0.06 0.49 -0.22 0.00 1.01 0.00 0.00 58.87 60.09 2jr2 n SER 67 Cb 0.12 -0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.71 2jr2 n SER 67 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2jr2 n VAL 68 N -1.50 1.60 -0.24 0.44 0.31 -0.44 -2.75 118.33 115.76 2jr2 n VAL 68 Ca 0.05 -0.26 -0.04 0.00 -0.01 0.00 0.00 64.34 64.08 2jr2 n VAL 68 Cb 0.24 -1.92 0.13 0.00 -0.91 0.00 0.00 33.84 31.38 2jr2 n VAL 68 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2jr2 h LEU 69 N -0.67 0.98 -4.56 7.52 3.38 -1.03 -2.77 115.31 118.16 2jr2 h LEU 69 Ca -0.41 -0.14 -0.64 0.00 0.09 0.00 0.00 57.88 56.78 2jr2 h LEU 69 Cb 1.56 -0.25 -0.38 0.00 0.09 0.00 0.00 40.66 41.68 2jr2 h LEU 69 CO -0.14 0.87 -0.21 -0.62 0.09 0.00 0.00 178.44 178.42 2jr2 n GLU 70 N -4.29 3.24 -2.37 1.13 1.02 -0.63 -4.96 120.64 113.79 2jr2 n GLU 70 Ca 0.06 -4.18 -0.38 0.00 -0.02 0.00 0.00 57.16 52.65 2jr2 n GLU 70 Cb 0.18 -2.26 -0.02 0.00 -0.02 0.00 0.00 31.44 29.32 2jr2 n GLU 70 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jr2 n HIS 71 N -0.53 3.95 -1.71 -0.32 -0.00 -1.05 -4.82 115.22 110.73 2jr2 n HIS 71 Ca 0.44 -2.36 -0.41 0.00 0.46 0.00 0.00 57.72 55.85 2jr2 n HIS 71 Cb 0.57 -2.62 -0.03 0.00 -0.12 0.00 0.00 29.99 27.79 2jr2 n HIS 71 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jr2 s HIS 72 N 6.55 1.32 -0.14 1.57 -3.43 -1.26 -4.82 115.29 115.08 2jr2 s HIS 72 Ca 0.59 0.78 0.18 0.00 -0.80 0.00 0.00 55.06 55.81 2jr2 s HIS 72 Cb 0.03 -3.91 -0.13 0.00 -1.43 0.00 0.00 32.58 27.13 2jr2 s HIS 72 CO 0.10 -3.40 0.79 1.58 -2.00 0.00 0.00 174.74 171.81 2jr2 n HIS 73 N 12.29 0.87 -4.89 0.38 -0.00 -1.26 -4.91 115.22 117.69 2jr2 n HIS 73 Ca 0.29 0.28 -0.31 0.00 0.46 0.00 0.00 57.72 58.44 2jr2 n HIS 73 Cb 0.48 -1.03 -0.14 0.00 -0.12 0.00 0.00 29.99 29.18 2jr2 n HIS 73 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jr2 s HIS 74 N -3.01 2.53 0.14 1.57 -3.43 -1.26 -5.11 115.29 106.72 2jr2 s HIS 74 Ca -0.03 -0.28 -0.08 0.00 -0.80 0.00 0.00 55.06 53.86 2jr2 s HIS 74 Cb 0.09 -1.51 0.03 0.00 -1.43 0.00 0.00 32.58 29.76 2jr2 s HIS 74 CO 0.82 0.16 0.42 -2.39 -2.00 0.00 0.00 174.74 171.74 2jr2 n HIS 75 N 1.99 -1.33 -0.66 0.38 -0.00 -1.26 -5.24 115.22 109.11 2jr2 n HIS 75 Ca -0.16 -0.74 0.00 0.00 -0.00 0.00 0.00 57.72 56.82 2jr2 n HIS 75 Cb 0.52 0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.87 2jr2 n HIS 75 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92