#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 0.41 -1.94 0.03 -0.04 -1.26 -4.95 135.00 127.25 2jr2 n PRO 2 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 2jr2 n PRO 2 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2jr2 n PRO 2 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jr2 s ILE 3 N -0.38 3.31 -0.66 0.52 -1.09 -1.26 -4.91 121.20 116.73 2jr2 s ILE 3 Ca 0.00 0.22 -0.27 0.00 -2.23 0.00 0.00 60.65 58.37 2jr2 s ILE 3 Cb 0.00 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 2jr2 s ILE 3 CO 0.00 -0.64 1.47 -0.69 -1.23 0.00 0.00 174.94 173.85 2jr2 s VAL 4 N 9.22 3.65 -0.14 2.92 1.01 -1.26 -4.76 120.40 131.04 2jr2 s VAL 4 Ca 0.76 0.43 0.18 0.00 0.00 0.00 0.00 61.98 63.35 2jr2 s VAL 4 Cb -0.16 -4.53 0.44 0.00 0.00 0.00 0.00 36.38 32.13 2jr2 s VAL 4 CO 0.24 -1.42 1.18 -1.20 0.00 0.00 0.00 175.10 173.90 2jr2 n SER 5 N 10.29 1.79 -3.95 3.32 7.64 -1.26 -4.98 113.62 126.48 2jr2 n SER 5 Ca 0.10 -2.84 -0.43 0.00 1.01 0.00 0.00 58.87 56.71 2jr2 n SER 5 Cb 0.50 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 -0.34 3.65 -0.37 1.43 4.81 -1.26 -4.96 118.16 121.11 2jr2 n LYS 6 Ca 0.15 -3.63 0.05 0.00 -0.87 0.00 0.00 58.31 54.01 2jr2 n LYS 6 Cb 0.93 -2.91 -0.01 0.00 0.02 0.00 0.00 35.03 33.05 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jr2 n TYR 7 N 3.91 -2.38 -3.91 5.64 4.01 -1.26 -4.74 117.16 118.44 2jr2 n TYR 7 Ca 0.38 0.46 -0.35 0.00 -0.16 0.00 0.00 57.90 58.24 2jr2 n TYR 7 Cb 0.37 -0.64 -0.09 0.00 -0.31 0.00 0.00 39.34 38.67 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 -4.78 5.89 0.25 7.72 0.15 -1.26 -5.00 113.70 116.68 2jr2 s SER 8 Ca 0.00 0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.78 2jr2 s SER 8 Cb 0.00 -2.00 0.34 0.00 -1.71 0.00 0.00 66.02 62.65 2jr2 s SER 8 CO 0.00 0.20 1.89 0.78 1.20 0.00 0.00 173.24 177.31 2jr2 h ASN 9 N 6.48 1.02 -0.82 5.45 2.35 -2.00 -1.08 115.58 126.99 2jr2 h ASN 9 Ca -0.40 -0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.42 2jr2 h ASN 9 Cb 1.17 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 39.25 2jr2 h ASN 9 CO 0.71 0.68 0.49 -0.08 -1.65 0.00 0.00 177.43 177.58 2jr2 h GLU 10 N 1.18 0.84 -0.11 0.81 4.81 -2.00 -0.72 114.58 119.39 2jr2 h GLU 10 Ca 0.40 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.38 2jr2 h GLU 10 Cb 0.07 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2jr2 h GLU 10 CO -0.14 0.56 -0.74 -0.09 -0.73 0.00 0.00 179.01 177.86 2jr2 h ARG 11 N 0.87 0.56 -0.39 1.92 2.43 -1.71 -2.37 114.38 115.69 2jr2 h ARG 11 Ca 0.37 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2jr2 h ARG 11 Cb 0.24 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2jr2 h ARG 11 CO -0.20 1.08 0.26 0.28 -1.51 0.00 0.00 179.97 179.88 2jr2 h VAL 12 N 0.39 1.10 -0.71 0.20 2.07 -0.62 -0.17 116.25 118.51 2jr2 h VAL 12 Ca -0.04 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2jr2 h VAL 12 Cb 1.33 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2jr2 h VAL 12 CO 0.14 0.10 0.43 -0.33 0.02 0.00 0.00 177.57 177.92 2jr2 h GLU 13 N 0.54 0.95 -0.29 1.57 5.08 -1.09 -2.00 114.58 119.33 2jr2 h GLU 13 Ca 0.14 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2jr2 h GLU 13 Cb -0.06 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2jr2 h GLU 13 CO -0.03 0.66 -0.00 0.87 -1.00 0.00 0.00 179.01 179.51 2jr2 h LYS 14 N 0.97 0.52 -0.40 2.33 1.57 -0.82 0.51 116.57 121.25 2jr2 h LYS 14 Ca 0.25 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2jr2 h LYS 14 Cb -0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2jr2 h LYS 14 CO -0.05 0.67 0.23 0.82 -0.57 0.00 0.00 179.45 180.55 2jr2 h ILE 15 N 0.31 1.14 -0.30 1.86 2.04 -0.69 0.43 117.51 122.30 2jr2 h ILE 15 Ca 0.08 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2jr2 h ILE 15 Cb 0.44 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2jr2 h ILE 15 CO 0.02 0.14 0.16 0.40 0.00 0.00 0.00 178.15 178.86 2jr2 h ILE 16 N 0.52 1.14 -0.13 -0.67 2.04 -1.31 -1.26 117.51 117.83 2jr2 h ILE 16 Ca 0.14 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2jr2 h ILE 16 Cb 0.03 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2jr2 h ILE 16 CO -0.02 0.14 0.06 -0.61 0.00 0.00 0.00 178.15 177.71 2jr2 h GLN 17 N 0.36 0.19 -0.64 2.37 5.75 -0.52 -0.47 115.11 122.14 2jr2 h GLN 17 Ca 0.10 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 2jr2 h GLN 17 Cb 0.08 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 2jr2 h GLN 17 CO -0.02 0.26 0.34 0.22 -2.65 0.00 0.00 178.83 176.99 2jr2 h ASP 18 N 0.08 0.48 -0.30 -0.69 3.58 -0.07 0.43 116.42 119.93 2jr2 h ASP 18 Ca 0.04 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2jr2 h ASP 18 Cb 0.14 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2jr2 h ASP 18 CO -0.00 0.31 0.13 -0.07 -2.88 0.00 0.00 179.24 176.73 2jr2 h LEU 19 N 0.62 0.41 -1.01 2.28 3.38 -1.03 -2.51 115.31 117.45 2jr2 h LEU 19 Ca 0.30 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2jr2 h LEU 19 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jr2 h LEU 19 CO -0.20 0.44 0.12 -0.07 0.09 0.00 0.00 178.44 178.82 2jr2 h LEU 20 N 0.35 0.78 -0.65 1.67 3.38 -0.47 -2.46 115.31 117.91 2jr2 h LEU 20 Ca 0.10 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.02 2jr2 h LEU 20 Cb 0.15 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 2jr2 h LEU 20 CO -0.01 0.77 0.30 -0.78 0.09 0.00 0.00 178.44 178.80 2jr2 h ASP 21 N 0.80 0.36 -0.31 -0.43 1.82 0.13 0.34 116.42 119.13 2jr2 h ASP 21 Ca 0.17 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.87 2jr2 h ASP 21 Cb 0.31 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 2jr2 h ASP 21 CO 0.00 0.22 0.16 0.58 -1.61 0.00 0.00 179.24 178.58 2jr2 h VAL 22 N 0.52 1.15 -0.45 2.25 2.07 -1.03 0.34 116.25 121.10 2jr2 h VAL 22 Ca 0.32 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2jr2 h VAL 22 Cb 0.34 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2jr2 h VAL 22 CO -0.27 0.15 0.22 -0.07 0.02 0.00 0.00 177.57 177.62 2jr2 h LEU 23 N 0.37 0.58 -0.62 2.57 3.38 -0.87 -1.74 115.31 118.99 2jr2 h LEU 23 Ca 0.11 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2jr2 h LEU 23 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jr2 h LEU 23 CO -0.02 0.54 -0.35 0.58 0.09 0.00 0.00 178.44 179.29 2jr2 h VAL 24 N 0.58 1.28 -0.76 1.22 2.07 -0.26 -1.47 116.25 118.91 2jr2 h VAL 24 Ca 0.15 -1.50 0.06 0.00 0.82 0.00 0.00 66.70 66.24 2jr2 h VAL 24 Cb 0.11 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2jr2 h VAL 24 CO -0.02 0.49 0.45 0.50 0.02 0.00 0.00 177.57 179.01 2jr2 h LYS 25 N 0.59 0.80 0.00 1.57 3.64 0.06 -1.20 116.57 122.03 2jr2 h LYS 25 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jr2 h LYS 25 Cb 0.87 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2jr2 h LYS 25 CO 0.08 0.53 -0.16 0.39 -2.27 0.00 0.00 179.45 178.01 2jr2 n GLU 26 N -4.71 0.13 -3.63 1.90 -0.58 -0.69 -4.93 120.64 108.13 2jr2 n GLU 26 Ca 0.11 0.08 -0.21 0.00 -0.42 0.00 0.00 57.16 56.71 2jr2 n GLU 26 Cb 0.18 -1.63 0.06 0.00 -0.57 0.00 0.00 31.44 29.48 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 -1.84 -5.91 -1.91 3.49 -0.58 -0.45 -4.90 120.64 108.53 2jr2 n GLU 27 Ca 0.06 0.72 -0.41 0.00 -0.42 0.00 0.00 57.16 57.10 2jr2 n GLU 27 Cb 0.38 -5.53 -0.02 0.00 -0.57 0.00 0.00 31.44 25.71 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 -3.48 2.36 0.56 2.62 -7.23 -0.81 -5.01 120.40 109.42 2jr2 s VAL 28 Ca 0.15 0.33 -0.16 0.00 -1.81 0.00 0.00 61.98 60.49 2jr2 s VAL 28 Cb -0.07 -3.21 -0.06 0.00 0.56 0.00 0.00 36.38 33.61 2jr2 s VAL 28 CO 0.78 0.06 1.02 0.42 -0.31 0.00 0.00 175.10 177.07 2jr2 s THR 29 N -0.46 4.24 0.22 5.32 -4.23 -1.26 -4.79 115.64 114.68 2jr2 s THR 29 Ca 0.57 1.03 -0.15 0.00 -1.18 0.00 0.00 61.69 61.96 2jr2 s THR 29 Cb -0.44 -3.58 0.25 0.00 1.34 0.00 0.00 72.50 70.06 2jr2 s THR 29 CO 0.51 -0.66 1.60 -0.65 -0.54 0.00 0.00 174.62 174.88 2jr2 h PRO 30 N 0.56 -0.04 -0.29 3.99 0.11 -1.99 0.36 132.00 134.70 2jr2 h PRO 30 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2jr2 h PRO 30 Cb 1.20 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2jr2 h PRO 30 CO 0.60 -0.03 0.17 0.22 -0.21 0.00 0.00 178.00 178.75 2jr2 h ASP 31 N -0.04 0.29 -0.56 -2.05 3.58 -2.00 -1.18 116.42 114.45 2jr2 h ASP 31 Ca 0.32 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 2jr2 h ASP 31 Cb 0.54 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2jr2 h ASP 31 CO -0.73 0.21 0.26 0.25 -2.88 0.00 0.00 179.24 176.35 2jr2 h LEU 32 N 0.36 0.74 0.10 2.28 5.85 -1.56 -2.09 115.31 121.00 2jr2 h LEU 32 Ca 0.11 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2jr2 h LEU 32 Cb -0.01 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2jr2 h LEU 32 CO -0.05 0.68 -0.05 0.00 -0.34 0.00 0.00 178.44 178.68 2jr2 h ALA 33 N 1.10 -0.14 -0.64 1.25 0.00 -0.07 -1.81 119.26 118.95 2jr2 h ALA 33 Ca 0.19 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jr2 h ALA 33 Cb 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2jr2 h ALA 33 CO -0.02 -0.56 0.41 -0.07 0.00 0.00 0.00 179.25 179.01 2jr2 h LEU 34 N -0.18 0.68 -1.09 0.00 3.38 -1.13 0.22 115.31 117.20 2jr2 h LEU 34 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2jr2 h LEU 34 Cb 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2jr2 h LEU 34 CO 0.02 0.49 0.33 -0.03 0.09 0.00 0.00 178.44 179.34 2jr2 h MET 35 N 0.81 0.97 0.02 1.13 4.05 -1.23 -0.30 114.93 120.39 2jr2 h MET 35 Ca 0.25 -0.13 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 2jr2 h MET 35 Cb -0.03 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 30.59 2jr2 h MET 35 CO -0.08 0.75 -0.36 0.00 0.23 0.00 0.00 176.91 177.45 2jr2 h LEU 37 N -0.49 -0.32 -1.41 0.00 3.38 -0.47 -1.94 115.31 114.05 2jr2 h LEU 37 Ca -0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jr2 h LEU 37 Cb 1.16 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2jr2 h LEU 37 CO 0.07 -0.20 0.31 1.23 0.09 0.00 0.00 178.44 179.94 2jr2 h GLY 38 N -0.41 0.76 0.91 0.83 0.00 -1.20 -0.14 103.07 103.82 2jr2 h GLY 38 Ca -0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2jr2 h GLY 38 CO 0.06 0.30 -0.05 -0.57 0.00 0.00 0.00 176.54 176.28 2jr2 h ASN 39 N 0.72 0.60 -0.44 0.19 -0.73 -1.42 0.18 115.58 114.68 2jr2 h ASN 39 Ca 0.19 -0.34 -0.05 0.00 1.87 0.00 0.00 56.30 57.97 2jr2 h ASN 39 Cb -0.02 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 2jr2 h ASN 39 CO -0.04 0.80 0.09 0.00 -0.37 0.00 0.00 177.43 177.92 2jr2 h ALA 40 N 0.82 0.59 -0.34 1.57 0.00 -0.80 -2.52 119.26 118.57 2jr2 h ALA 40 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jr2 h ALA 40 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jr2 h ALA 40 CO 0.03 0.29 0.17 0.28 0.00 0.00 0.00 179.25 180.02 2jr2 h VAL 41 N 0.59 1.15 0.00 0.00 2.07 -0.91 -2.26 116.25 116.89 2jr2 h VAL 41 Ca 0.14 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2jr2 h VAL 41 Cb 0.35 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2jr2 h VAL 41 CO 0.01 0.16 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 2jr2 h THR 42 N 0.42 0.10 0.02 2.57 1.03 -0.87 -1.54 112.91 114.64 2jr2 h THR 42 Ca 0.12 -0.56 -0.25 0.00 -0.01 0.00 0.00 66.41 65.71 2jr2 h THR 42 Cb 0.10 1.51 -0.03 0.00 -1.07 0.00 0.00 68.15 68.65 2jr2 h THR 42 CO -0.02 0.04 -1.25 -1.13 -0.01 0.00 0.00 175.52 173.15 2jr2 h ASN 43 N 0.00 0.08 -0.10 0.00 -1.24 -1.15 -3.24 115.58 109.93 2jr2 h ASN 43 Ca -0.00 -0.10 -0.20 0.00 0.71 0.00 0.00 56.30 56.71 2jr2 h ASN 43 Cb 0.50 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.53 2jr2 h ASN 43 CO 0.00 1.08 -0.67 0.40 -1.29 0.00 0.00 177.43 176.95 2jr2 h ILE 44 N 0.01 1.30 0.00 2.57 1.08 -0.75 -2.81 117.51 118.91 2jr2 h ILE 44 Ca -0.11 -1.90 0.00 0.00 -0.39 0.00 0.00 64.86 62.45 2jr2 h ILE 44 Cb 1.87 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 37.49 2jr2 h ILE 44 CO 0.13 0.60 0.00 0.40 -0.69 0.00 0.00 178.15 178.59 2jr2 h ILE 45 N 0.52 0.00 0.00 -0.67 2.04 -1.40 -0.55 117.51 117.45 2jr2 h ILE 45 Ca -0.02 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2jr2 h ILE 45 Cb 1.27 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2jr2 h ILE 45 CO 0.14 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2jr2 n ALA 46 N -1.90 1.95 0.05 1.87 0.00 -1.06 -1.70 120.51 119.72 2jr2 n ALA 46 Ca -0.01 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2jr2 n ALA 46 Cb 0.13 -1.33 0.26 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.49 2.60 -3.79 0.00 6.02 -0.22 -4.88 117.38 115.63 2jr2 n GLN 47 Ca 0.05 -2.45 -0.36 0.00 -0.01 0.00 0.00 57.00 54.24 2jr2 n GLN 47 Cb 0.24 -1.54 -0.11 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.31 4.87 0.20 5.09 1.01 -0.69 -5.06 120.40 124.51 2jr2 s VAL 48 Ca 0.43 0.01 -0.32 0.00 0.00 0.00 0.00 61.98 62.09 2jr2 s VAL 48 Cb 0.24 -3.26 -0.14 0.00 0.00 0.00 0.00 36.38 33.22 2jr2 s VAL 48 CO 0.33 0.36 1.34 -2.65 0.00 0.00 0.00 175.10 174.48 2jr2 n PRO 49 N 4.35 1.69 -0.43 2.72 -0.02 -1.26 -4.37 135.00 137.68 2jr2 n PRO 49 Ca -0.16 0.60 0.36 0.00 -2.02 0.00 0.00 63.50 62.28 2jr2 n PRO 49 Cb 0.52 -2.22 0.66 0.00 -0.02 0.00 0.00 33.50 32.44 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 4.17 0.12 -0.27 -0.52 4.39 -1.96 0.47 114.58 120.98 2jr2 h GLU 50 Ca -0.45 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.33 2jr2 h GLU 50 Cb 1.30 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2jr2 h GLU 50 CO 0.76 0.08 0.28 1.03 -1.16 0.00 0.00 179.01 179.99 2jr2 h SER 51 N 0.13 0.00 0.00 1.42 0.87 -2.04 -2.49 113.55 111.44 2jr2 h SER 51 Ca 0.74 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 2jr2 h SER 51 Cb 2.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.41 2jr2 h SER 51 CO -0.27 0.00 0.00 2.29 -0.53 0.00 0.00 176.83 178.32 2jr2 n LYS 52 N -3.88 -0.26 -0.06 2.24 2.85 0.82 -4.78 118.16 115.08 2jr2 n LYS 52 Ca 0.04 -0.31 -0.11 0.00 -1.05 0.00 0.00 58.31 56.88 2jr2 n LYS 52 Cb 0.42 -0.73 -0.04 0.00 -0.65 0.00 0.00 35.03 34.03 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 0.30 0.00 -1.58 2.43 0.22 0.26 114.38 116.01 2jr2 h ARG 53 Ca 0.00 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 2jr2 h ARG 53 Cb 0.32 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2jr2 h ARG 53 CO 0.00 0.36 -0.34 0.28 -1.51 0.00 0.00 179.97 178.76 2jr2 h VAL 54 N 0.18 1.24 -0.03 0.20 2.07 -1.84 -1.70 116.25 116.36 2jr2 h VAL 54 Ca 0.07 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 2jr2 h VAL 54 Cb 0.17 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2jr2 h VAL 54 CO -0.01 0.33 -0.06 0.00 0.02 0.00 0.00 177.57 177.86 2jr2 h ALA 55 N 1.66 0.04 -0.27 1.67 0.00 -1.69 -2.46 119.26 118.21 2jr2 h ALA 55 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 2jr2 h ALA 55 Cb 0.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jr2 h ALA 55 CO 0.04 -0.11 -0.35 -0.39 0.00 0.00 0.00 179.25 178.44 2jr2 h VAL 56 N -0.47 1.29 -0.28 0.00 -1.51 -0.39 0.36 116.25 115.25 2jr2 h VAL 56 Ca -0.00 -1.48 -0.13 0.00 -1.23 0.00 0.00 66.70 63.86 2jr2 h VAL 56 Cb 0.66 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 2jr2 h VAL 56 CO 0.01 0.47 -0.35 1.62 -1.23 0.00 0.00 177.57 178.10 2jr2 h VAL 57 N 0.50 1.29 -0.14 7.19 3.04 -1.39 0.19 116.25 126.92 2jr2 h VAL 57 Ca 0.05 -1.49 -0.12 0.00 -1.01 0.00 0.00 66.70 64.14 2jr2 h VAL 57 Cb 0.84 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2jr2 h VAL 57 CO 0.07 0.47 -0.37 -0.78 -1.01 0.00 0.00 177.57 175.96 2jr2 h ASP 58 N 0.51 0.57 -0.89 3.17 3.58 -1.18 -2.00 116.42 120.18 2jr2 h ASP 58 Ca 0.05 -0.58 0.03 0.00 0.42 0.00 0.00 57.03 56.95 2jr2 h ASP 58 Cb 0.84 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 2jr2 h ASP 58 CO 0.07 1.05 0.59 0.78 -2.88 0.00 0.00 179.24 178.85 2jr2 h ASN 59 N 0.11 0.98 0.30 2.28 2.35 -0.86 0.41 115.58 121.15 2jr2 h ASN 59 Ca -0.01 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2jr2 h ASN 59 Cb 0.98 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 2jr2 h ASN 59 CO 0.08 0.68 -0.17 0.15 -1.65 0.00 0.00 177.43 176.53 2jr2 h PHE 60 N 1.14 -0.43 -0.23 1.19 3.57 -0.85 0.21 116.94 121.54 2jr2 h PHE 60 Ca 0.35 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.74 2jr2 h PHE 60 Cb -0.02 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2jr2 h PHE 60 CO -0.00 -0.27 -0.29 1.79 -2.23 0.00 0.00 178.31 177.32 2jr2 h THR 61 N -0.44 1.27 -0.37 4.41 1.35 -0.92 -1.35 112.91 116.86 2jr2 h THR 61 Ca -0.04 -1.33 -0.06 0.00 -0.55 0.00 0.00 66.41 64.43 2jr2 h THR 61 Cb 0.35 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2jr2 h THR 61 CO 0.05 0.42 -0.01 0.50 -0.25 0.00 0.00 175.52 176.23 2jr2 h LYS 62 N 0.40 0.66 -0.76 4.72 3.64 -0.03 -2.53 116.57 122.68 2jr2 h LYS 62 Ca 0.05 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 2jr2 h LYS 62 Cb 0.71 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2jr2 h LYS 62 CO 0.05 0.77 0.27 0.00 -2.27 0.00 0.00 179.45 178.28 2jr2 h ALA 63 N 0.86 1.04 -0.19 5.00 0.00 -0.34 -2.51 119.26 123.13 2jr2 h ALA 63 Ca 0.10 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jr2 h ALA 63 Cb 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jr2 h ALA 63 CO 0.02 0.66 -0.00 -0.07 0.00 0.00 0.00 179.25 179.86 2jr2 h LEU 64 N 1.11 -0.08 -1.44 0.00 3.38 -1.09 0.18 115.31 117.37 2jr2 h LEU 64 Ca 0.25 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2jr2 h LEU 64 Cb 0.26 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2jr2 h LEU 64 CO -0.01 -0.02 0.30 0.11 0.09 0.00 0.00 178.44 178.91 2jr2 h LYS 65 N 0.05 0.68 0.12 1.13 1.57 -1.29 -1.21 116.57 117.61 2jr2 h LYS 65 Ca 0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2jr2 h LYS 65 Cb 0.11 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2jr2 h LYS 65 CO -0.15 0.48 -0.06 0.37 -0.57 0.00 0.00 179.45 179.52 2jr2 h GLN 66 N 0.69 -0.15 0.00 3.15 4.15 -0.91 -2.47 115.11 119.57 2jr2 h GLN 66 Ca 0.18 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2jr2 h GLN 66 Cb -0.02 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.70 2jr2 h GLN 66 CO -0.03 0.18 0.00 -1.13 -1.93 0.00 0.00 178.83 175.92 2jr2 n SER 67 N -5.00 0.00 0.01 -0.69 3.41 0.56 -0.49 113.62 111.42 2jr2 n SER 67 Ca -0.09 0.36 -0.22 0.00 -0.26 0.00 0.00 58.87 58.66 2jr2 n SER 67 Cb 0.21 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.59 2jr2 n SER 67 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2jr2 h VAL 68 N 0.00 0.73 0.06 -3.33 2.07 -1.16 -3.35 116.25 111.27 2jr2 h VAL 68 Ca 0.00 -2.37 -0.18 0.00 0.82 0.00 0.00 66.70 64.97 2jr2 h VAL 68 Cb 0.21 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 2jr2 h VAL 68 CO 0.00 0.85 -0.91 -0.07 0.02 0.00 0.00 177.57 177.46 2jr2 h LEU 69 N -0.01 0.19 0.00 2.57 3.38 -0.80 -3.38 115.31 117.27 2jr2 h LEU 69 Ca -0.40 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 56.75 2jr2 h LEU 69 Cb 1.99 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2jr2 h LEU 69 CO 0.09 1.39 -0.57 -1.84 0.09 0.00 0.00 178.44 177.59 2jr2 n GLU 70 N -4.26 0.28 -2.09 1.13 -0.00 0.36 -4.75 120.64 111.31 2jr2 n GLU 70 Ca -0.21 0.09 -0.38 0.00 -0.00 0.00 0.00 57.16 56.67 2jr2 n GLU 70 Cb 0.72 -1.69 -0.03 0.00 -0.00 0.00 0.00 31.44 30.44 2jr2 n GLU 70 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2jr2 s HIS 71 N -3.16 1.73 -0.17 -1.84 2.46 -1.26 -4.91 115.29 108.15 2jr2 s HIS 71 Ca 0.07 0.69 -0.18 0.00 0.47 0.00 0.00 55.06 56.11 2jr2 s HIS 71 Cb 0.13 -4.14 0.05 0.00 -0.13 0.00 0.00 32.58 28.50 2jr2 s HIS 71 CO 0.71 -2.25 0.50 -1.58 -2.47 0.00 0.00 174.74 169.66 2jr2 s HIS 72 N 8.85 -0.53 -0.35 3.88 5.65 -1.26 -4.97 115.29 126.56 2jr2 s HIS 72 Ca 0.64 1.26 -0.26 0.00 0.25 0.00 0.00 55.06 56.95 2jr2 s HIS 72 Cb -0.12 0.19 0.01 0.00 -1.18 0.00 0.00 32.58 31.49 2jr2 s HIS 72 CO 0.18 -0.29 0.96 -1.01 -0.65 0.00 0.00 174.74 173.92 2jr2 s HIS 73 N 0.07 3.11 0.00 3.88 3.76 -1.26 -4.83 115.29 120.02 2jr2 s HIS 73 Ca -0.02 0.91 0.00 0.00 -0.15 0.00 0.00 55.06 55.80 2jr2 s HIS 73 Cb -0.03 -3.62 0.00 0.00 1.11 0.00 0.00 32.58 30.04 2jr2 s HIS 73 CO 0.01 -0.78 0.00 1.58 -0.85 0.00 0.00 174.74 174.71 2jr2 n HIS 74 N 6.74 0.00 -3.20 1.40 -0.00 -1.26 -5.15 115.22 113.75 2jr2 n HIS 74 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 2jr2 n HIS 74 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2jr2 n HIS 74 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jr2 n HIS 75 N -0.51 -0.81 -1.73 1.57 8.25 -1.26 -5.36 115.22 115.38 2jr2 n HIS 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jr2 n HIS 75 Cb 0.00 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2jr2 n HIS 75 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59