#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o84 h ALA 2 N 0.00 -0.03 0.60 3.04 0.00 -0.99 -1.21 119.26 120.67 1o84 h ALA 2 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1o84 h ALA 2 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1o84 h ALA 2 CO 0.00 -0.22 -0.29 -0.22 0.00 0.00 0.00 179.25 178.53 1o84 h LYS 3 N -0.64 -0.77 0.00 0.00 3.64 -0.21 -1.26 116.57 117.33 1o84 h LYS 3 Ca -0.00 0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 1o84 h LYS 3 Cb 0.59 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1o84 h LYS 3 CO 0.01 -0.48 -0.75 0.93 -2.27 0.00 0.00 179.45 176.88 1o84 h GLU 4 N -0.89 0.00 0.00 1.90 4.39 -0.27 -3.40 114.58 116.31 1o84 h GLU 4 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1o84 h GLU 4 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1o84 h GLU 4 CO 0.13 0.75 -0.74 1.19 -1.16 0.00 0.00 179.01 179.18 1o84 n PHE 5 N -3.60 0.00 -1.78 4.33 3.01 -0.62 -5.04 117.46 113.77 1o84 n PHE 5 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1o84 n PHE 5 Cb 0.74 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.21 1o84 n PHE 5 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o84 n GLY 6 N 1.86 0.68 3.55 1.37 0.00 -0.48 -4.30 105.19 107.88 1o84 n GLY 6 Ca 0.00 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1o84 n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o84 s ILE 7 N -2.16 5.24 0.42 -0.61 1.01 -1.06 -4.90 121.20 119.14 1o84 s ILE 7 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.42 1o84 s ILE 7 Cb 0.00 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 1o84 s ILE 7 CO 0.00 0.04 1.11 -2.65 0.00 0.00 0.00 174.94 173.44 1o84 n PRO 8 N 5.20 1.57 -0.28 2.79 -0.02 -1.26 -3.92 135.00 139.08 1o84 n PRO 8 Ca -0.11 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1o84 n PRO 8 Cb 0.50 -2.16 0.36 0.00 -0.02 0.00 0.00 33.50 32.17 1o84 n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1o84 h ALA 9 N 1.76 1.78 -0.58 3.55 0.00 -1.96 -1.97 119.26 121.85 1o84 h ALA 9 Ca -0.45 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1o84 h ALA 9 Cb 1.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1o84 h ALA 9 CO 0.58 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.95 1o84 h ALA 10 N 1.59 1.17 -0.12 0.00 0.00 -2.00 -1.59 119.26 118.31 1o84 h ALA 10 Ca 0.45 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1o84 h ALA 10 Cb 0.67 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1o84 h ALA 10 CO -0.21 0.57 -0.11 0.28 0.00 0.00 0.00 179.25 179.78 1o84 h VAL 11 N 0.86 1.35 0.33 0.00 2.07 -1.73 -3.27 116.25 115.85 1o84 h VAL 11 Ca 0.19 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1o84 h VAL 11 Cb 0.31 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1o84 h VAL 11 CO -0.00 0.36 -0.16 0.00 0.02 0.00 0.00 177.57 177.79 1o84 h ALA 12 N 0.60 -0.45 -0.72 1.67 0.00 -1.05 -1.20 119.26 118.10 1o84 h ALA 12 Ca 0.02 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 54.96 1o84 h ALA 12 Cb 0.62 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1o84 h ALA 12 CO 0.03 -0.62 0.51 0.78 0.00 0.00 0.00 179.25 179.95 1o84 h GLY 13 N -0.72 0.11 0.69 0.00 0.00 -1.48 0.11 103.07 101.78 1o84 h GLY 13 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1o84 h GLY 13 CO 0.08 0.00 -0.04 -0.84 0.00 0.00 0.00 176.54 175.74 1o84 h THR 14 N 0.06 1.32 -0.83 4.70 2.02 -1.47 -1.20 112.91 117.50 1o84 h THR 14 Ca 0.35 -1.03 0.13 0.00 0.77 0.00 0.00 66.41 66.62 1o84 h THR 14 Cb 1.30 1.82 -0.09 0.00 -1.74 0.00 0.00 68.15 69.44 1o84 h THR 14 CO -0.02 0.29 0.43 0.58 0.37 0.00 0.00 175.52 177.17 1o84 h VAL 15 N -0.18 0.77 -0.09 3.16 2.07 0.22 -1.54 116.25 120.66 1o84 h VAL 15 Ca 0.02 -0.22 -0.19 0.00 0.82 0.00 0.00 66.70 67.13 1o84 h VAL 15 Cb 0.48 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1o84 h VAL 15 CO 0.01 0.12 -0.73 -0.07 0.02 0.00 0.00 177.57 176.92 1o84 h LEU 16 N 0.65 0.55 -1.07 2.57 3.38 -0.86 -2.31 115.31 118.22 1o84 h LEU 16 Ca 0.44 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1o84 h LEU 16 Cb 0.57 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1o84 h LEU 16 CO -0.33 1.11 0.51 0.78 0.09 0.00 0.00 178.44 180.60 1o84 h ASN 17 N 0.32 1.01 0.12 -0.43 2.35 -0.68 -0.97 115.58 117.31 1o84 h ASN 17 Ca -0.03 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.57 1o84 h ASN 17 Cb 1.32 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1o84 h ASN 17 CO 0.13 0.78 -0.32 0.58 -1.65 0.00 0.00 177.43 176.95 1o84 h VAL 18 N 1.17 1.27 0.69 2.81 2.07 -1.08 -0.24 116.25 122.94 1o84 h VAL 18 Ca 0.31 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1o84 h VAL 18 Cb -0.05 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1o84 h VAL 18 CO -0.06 0.40 -0.33 0.58 0.02 0.00 0.00 177.57 178.19 1o84 h VAL 19 N 0.26 0.00 -0.27 2.57 2.07 -0.83 -0.25 116.25 119.80 1o84 h VAL 19 Ca 0.03 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1o84 h VAL 19 Cb 0.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1o84 h VAL 19 CO 0.05 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 177.55 1o84 h GLU 20 N -1.03 0.00 -0.00 1.57 5.08 -1.16 0.21 114.58 119.26 1o84 h GLU 20 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1o84 h GLU 20 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1o84 h GLU 20 CO 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 178.15 1o84 n ALA 21 N -2.46 2.66 -2.53 3.43 0.00 -0.11 -4.92 120.51 116.58 1o84 n ALA 21 Ca 0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1o84 n ALA 21 Cb 0.39 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.43 1o84 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o84 n GLY 22 N 1.11 0.04 3.78 0.00 0.00 0.75 -5.01 105.19 105.86 1o84 n GLY 22 Ca 0.21 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1o84 n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1o84 s GLY 23 N -2.77 1.62 0.33 -0.02 0.00 -0.12 -4.99 107.32 101.36 1o84 s GLY 23 Ca 0.11 -0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.35 1o84 s GLY 23 CO 0.14 0.26 1.49 0.79 0.00 0.00 0.00 173.10 175.79 1o84 n TRP 24 N -3.59 2.79 -0.31 1.90 8.01 -1.26 -4.88 117.44 120.10 1o84 n TRP 24 Ca 0.07 0.39 0.05 0.00 -1.31 0.00 0.00 57.50 56.70 1o84 n TRP 24 Cb 0.56 -2.53 0.25 0.00 -2.01 0.00 0.00 31.31 27.58 1o84 n TRP 24 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1o84 h VAL 25 N 3.04 1.03 0.00 -0.99 2.07 -1.98 -0.30 116.25 119.12 1o84 h VAL 25 Ca -0.48 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1o84 h VAL 25 Cb 1.24 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1o84 h VAL 25 CO 0.70 0.18 -0.09 0.71 0.02 0.00 0.00 177.57 179.09 1o84 h THR 26 N 1.00 0.40 0.04 2.57 1.35 -1.98 -0.03 112.91 116.26 1o84 h THR 26 Ca 0.41 -0.51 -0.13 0.00 -0.55 0.00 0.00 66.41 65.62 1o84 h THR 26 Cb 0.27 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1o84 h THR 26 CO -0.16 0.09 -0.55 0.74 -0.25 0.00 0.00 175.52 175.39 1o84 h THR 27 N 0.00 1.50 -0.58 6.82 2.02 -1.42 -0.21 112.91 121.04 1o84 h THR 27 Ca -0.00 -2.19 0.03 0.00 0.77 0.00 0.00 66.41 65.01 1o84 h THR 27 Cb 0.36 2.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.58 1o84 h THR 27 CO 0.01 0.62 0.35 0.40 0.37 0.00 0.00 175.52 177.28 1o84 h ILE 28 N -0.32 1.06 -0.76 3.11 2.04 -1.12 -0.55 117.51 120.98 1o84 h ILE 28 Ca -0.08 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1o84 h ILE 28 Cb 1.32 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1o84 h ILE 28 CO 0.11 0.13 0.32 0.58 0.00 0.00 0.00 178.15 179.28 1o84 h VAL 29 N 0.70 1.25 -0.27 1.67 2.07 -0.93 -1.41 116.25 119.33 1o84 h VAL 29 Ca 0.24 -0.77 -0.17 0.00 0.82 0.00 0.00 66.70 66.82 1o84 h VAL 29 Cb 0.03 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1o84 h VAL 29 CO -0.10 0.31 -0.51 0.77 0.02 0.00 0.00 177.57 178.06 1o84 h SER 30 N 1.08 0.84 -0.33 0.57 4.64 -0.34 -0.73 113.55 119.29 1o84 h SER 30 Ca 0.25 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1o84 h SER 30 Cb 0.18 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1o84 h SER 30 CO -0.02 1.20 0.18 0.40 -0.87 0.00 0.00 176.83 177.72 1o84 h ILE 31 N 0.60 1.13 -0.25 0.95 2.04 -0.94 -1.70 117.51 119.33 1o84 h ILE 31 Ca 0.02 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1o84 h ILE 31 Cb 1.08 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1o84 h ILE 31 CO 0.11 0.13 -0.22 -0.07 0.00 0.00 0.00 178.15 178.10 1o84 h LEU 32 N 0.41 0.47 -0.43 1.44 3.38 -1.14 -2.29 115.31 117.14 1o84 h LEU 32 Ca 0.12 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1o84 h LEU 32 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1o84 h LEU 32 CO -0.02 0.69 -0.03 0.74 0.09 0.00 0.00 178.44 179.91 1o84 h THR 33 N 0.42 1.27 -0.17 0.22 2.02 -1.05 -3.14 112.91 112.48 1o84 h THR 33 Ca 0.07 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 1o84 h THR 33 Cb 0.62 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1o84 h THR 33 CO 0.04 0.37 -0.09 0.00 0.37 0.00 0.00 175.52 176.22 1o84 h ALA 34 N 0.89 1.54 0.00 6.16 0.00 -0.77 -1.49 119.26 125.59 1o84 h ALA 34 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1o84 h ALA 34 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1o84 h ALA 34 CO 0.03 0.33 0.00 0.28 0.00 0.00 0.00 179.25 179.89 1o84 h VAL 35 N 0.25 0.00 0.00 0.00 2.07 -1.39 -3.49 116.25 113.69 1o84 h VAL 35 Ca 0.05 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1o84 h VAL 35 Cb 0.33 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1o84 h VAL 35 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 1o84 n GLY 36 N -0.83 -0.27 0.19 2.17 0.00 -0.56 -4.53 105.19 101.35 1o84 n GLY 36 Ca -0.01 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.40 1o84 n GLY 36 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1o84 h SER 37 N 2.01 0.00 0.10 1.61 4.64 -1.90 0.31 113.55 120.32 1o84 h SER 37 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1o84 h SER 37 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1o84 h SER 37 CO 0.00 0.38 -0.06 1.23 -0.87 0.00 0.00 176.83 177.51 1o84 h GLY 38 N 1.56 0.00 0.69 -0.77 0.00 -1.80 -0.89 103.07 101.87 1o84 h GLY 38 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1o84 h GLY 38 CO 0.05 0.00 -1.50 -1.33 0.00 0.00 0.00 176.54 173.76 1o84 h GLY 39 N 0.26 0.35 0.32 4.60 0.00 -1.08 -2.68 103.07 104.82 1o84 h GLY 39 Ca -0.00 -0.89 0.14 0.00 0.00 0.00 0.00 47.33 46.58 1o84 h GLY 39 CO 0.01 0.78 0.52 1.41 0.00 0.00 0.00 176.54 179.26 1o84 h LEU 40 N -0.16 0.70 -0.48 3.11 3.38 -1.33 -0.23 115.31 120.30 1o84 h LEU 40 Ca -0.31 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1o84 h LEU 40 Cb 1.87 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1o84 h LEU 40 CO 0.11 0.33 0.11 0.28 0.09 0.00 0.00 178.44 179.35 1o84 h SER 41 N 0.77 0.73 -0.91 -0.43 0.02 -1.20 0.68 113.55 113.21 1o84 h SER 41 Ca 0.48 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1o84 h SER 41 Cb 0.61 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1o84 h SER 41 CO -0.32 0.78 0.59 0.25 -1.14 0.00 0.00 176.83 176.99 1o84 h LEU 42 N 0.65 1.06 0.16 5.07 5.85 -1.22 0.45 115.31 127.33 1o84 h LEU 42 Ca 0.15 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1o84 h LEU 42 Cb 0.34 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1o84 h LEU 42 CO 0.00 0.78 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.55 1o84 h LEU 43 N 1.24 -0.75 -0.75 2.25 3.38 -0.71 -2.79 115.31 117.18 1o84 h LEU 43 Ca 0.33 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.50 1o84 h LEU 43 Cb -0.12 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 1o84 h LEU 43 CO -0.07 -0.37 0.35 0.00 0.09 0.00 0.00 178.44 178.45 1o84 h ALA 44 N 0.19 1.06 -0.72 1.53 0.00 -0.61 -2.43 119.26 118.29 1o84 h ALA 44 Ca 0.02 0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.21 1o84 h ALA 44 Cb 0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1o84 h ALA 44 CO -0.13 -0.10 0.51 0.00 0.00 0.00 0.00 179.25 179.53 1o84 h ALA 45 N 1.49 2.59 0.00 0.00 0.00 -0.64 -1.88 119.26 120.82 1o84 h ALA 45 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1o84 h ALA 45 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1o84 h ALA 45 CO -0.33 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 178.13 1o84 h ALA 46 N 1.65 1.00 -0.99 0.00 0.00 -1.33 -3.47 119.26 116.11 1o84 h ALA 46 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1o84 h ALA 46 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1o84 h ALA 46 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1o84 n GLY 47 N 0.38 4.17 0.53 0.00 0.00 -0.71 -2.85 105.19 106.71 1o84 n GLY 47 Ca 0.02 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1o84 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o84 n ARG 48 N 13.98 1.43 -1.84 1.61 1.74 -1.26 -4.82 116.66 127.48 1o84 n ARG 48 Ca 0.00 -1.06 -0.34 0.00 -0.77 0.00 0.00 57.85 55.68 1o84 n ARG 48 Cb 0.00 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.01 1o84 n ARG 48 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1o84 s GLU 49 N -2.31 2.83 0.59 5.56 2.02 -1.13 -5.05 118.70 121.21 1o84 s GLU 49 Ca 0.25 1.55 -0.20 0.00 0.02 0.00 0.00 54.97 56.59 1o84 s GLU 49 Cb 0.19 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.45 1o84 s GLU 49 CO 0.46 -1.25 1.28 -1.54 0.02 0.00 0.00 175.26 174.23 1o84 s SER 50 N -2.20 5.08 0.49 -0.19 1.04 -1.26 -4.89 113.70 111.77 1o84 s SER 50 Ca 0.71 2.57 0.19 0.00 0.48 0.00 0.00 55.95 59.90 1o84 s SER 50 Cb -0.24 -2.62 1.25 0.00 0.10 0.00 0.00 66.02 64.52 1o84 s SER 50 CO 0.38 -1.68 2.07 -0.29 0.98 0.00 0.00 173.24 174.70 1o84 h ILE 51 N 1.00 0.91 0.15 -1.02 6.09 -1.93 -0.22 117.51 122.50 1o84 h ILE 51 Ca -0.51 -0.41 -0.01 0.00 -1.37 0.00 0.00 64.86 62.57 1o84 h ILE 51 Cb 1.31 1.23 0.00 0.00 0.47 0.00 0.00 36.82 39.83 1o84 h ILE 51 CO 0.55 0.11 -0.07 0.50 -3.07 0.00 0.00 178.15 176.17 1o84 h LYS 52 N 0.00 -0.20 -0.80 2.19 3.64 -1.92 0.17 116.57 119.66 1o84 h LYS 52 Ca -0.00 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 1o84 h LYS 52 Cb 0.22 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 1o84 h LYS 52 CO 0.01 0.12 0.37 0.00 -2.27 0.00 0.00 179.45 177.68 1o84 h ALA 53 N 0.25 1.16 0.04 5.00 0.00 -1.78 0.49 119.26 124.41 1o84 h ALA 53 Ca -0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1o84 h ALA 53 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1o84 h ALA 53 CO 0.03 -0.15 -0.02 -0.92 0.00 0.00 0.00 179.25 178.20 1o84 h TYR 54 N 0.53 -0.05 -0.34 0.00 3.20 -0.90 -2.61 116.97 116.80 1o84 h TYR 54 Ca 0.43 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.19 1o84 h TYR 54 Cb 0.63 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1o84 h TYR 54 CO -0.13 0.37 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.43 1o84 h LEU 55 N -0.48 0.71 -0.79 2.82 3.38 -0.71 -2.33 115.31 117.91 1o84 h LEU 55 Ca -0.01 -0.27 0.14 0.00 0.09 0.00 0.00 57.88 57.84 1o84 h LEU 55 Cb 0.44 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 1o84 h LEU 55 CO 0.01 0.95 0.36 0.50 0.09 0.00 0.00 178.44 180.34 1o84 h LYS 56 N 0.60 0.50 -0.38 1.13 3.64 -0.93 -0.68 116.57 120.46 1o84 h LYS 56 Ca 0.08 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1o84 h LYS 56 Cb 0.76 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1o84 h LYS 56 CO 0.06 0.33 -0.34 -0.22 -2.27 0.00 0.00 179.45 177.02 1o84 h LYS 57 N 0.52 0.86 -0.63 1.90 3.64 -1.08 -1.37 116.57 120.41 1o84 h LYS 57 Ca 0.44 -0.42 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1o84 h LYS 57 Cb 0.64 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1o84 h LYS 57 CO -0.39 1.06 0.19 0.93 -2.27 0.00 0.00 179.45 178.97 1o84 h GLU 58 N 0.71 0.96 -0.09 1.90 4.39 -1.02 -2.76 114.58 118.67 1o84 h GLU 58 Ca 0.07 -0.19 -0.23 0.00 0.34 0.00 0.00 59.36 59.35 1o84 h GLU 58 Cb 0.90 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1o84 h GLU 58 CO 0.08 0.83 -0.86 0.82 -1.16 0.00 0.00 179.01 178.72 1o84 h ILE 59 N 0.92 1.30 -0.92 3.13 2.04 -1.00 -1.29 117.51 121.69 1o84 h ILE 59 Ca 0.21 -2.10 0.15 0.00 1.00 0.00 0.00 64.86 64.12 1o84 h ILE 59 Cb 0.27 2.13 -0.08 0.00 -0.74 0.00 0.00 36.82 38.41 1o84 h ILE 59 CO -0.01 0.65 0.59 0.50 0.00 0.00 0.00 178.15 179.88 1o84 h LYS 60 N 0.45 0.68 0.07 2.37 3.64 -1.17 0.48 116.57 123.09 1o84 h LYS 60 Ca -0.07 -0.04 -0.36 0.00 -1.27 0.00 0.00 60.65 58.91 1o84 h LYS 60 Cb 1.49 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 1o84 h LYS 60 CO 0.17 0.45 -2.02 1.17 -2.27 0.00 0.00 179.45 176.95 1o84 n LYS 61 N -4.58 0.70 -0.00 1.90 4.81 -1.05 -4.55 118.16 115.39 1o84 n LYS 61 Ca 0.18 0.29 0.08 0.00 -0.87 0.00 0.00 58.31 57.99 1o84 n LYS 61 Cb 0.50 -1.66 -0.12 0.00 0.02 0.00 0.00 35.03 33.77 1o84 n LYS 61 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1o84 n LYS 62 N -3.63 0.94 -0.00 1.64 5.02 -0.50 -5.11 118.16 116.52 1o84 n LYS 62 Ca -0.36 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1o84 n LYS 62 Cb 0.97 -1.36 -0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1o84 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o84 n GLY 63 N 1.47 -2.74 0.29 0.72 0.00 0.17 -4.24 105.19 100.87 1o84 n GLY 63 Ca -0.00 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.77 1o84 n GLY 63 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o84 h LYS 64 N -0.00 0.27 -0.37 1.61 2.10 -1.91 -2.40 116.57 115.87 1o84 h LYS 64 Ca -0.00 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1o84 h LYS 64 Cb 0.00 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 1o84 h LYS 64 CO 0.00 0.18 0.23 -0.09 -2.00 0.00 0.00 179.45 177.76 1o84 h ARG 65 N 0.28 0.51 -0.23 0.07 2.43 -1.97 -1.45 114.38 114.00 1o84 h ARG 65 Ca 0.50 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.51 1o84 h ARG 65 Cb 0.93 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1o84 h ARG 65 CO -0.57 0.38 -0.33 0.00 -1.51 0.00 0.00 179.97 177.94 1o84 h ALA 66 N 1.10 1.00 -0.44 2.80 0.00 -1.62 -1.87 119.26 120.23 1o84 h ALA 66 Ca 0.13 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1o84 h ALA 66 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1o84 h ALA 66 CO -0.03 0.60 -0.05 0.28 0.00 0.00 0.00 179.25 180.06 1o84 h VAL 67 N 0.42 1.24 -0.31 0.00 2.07 -1.19 0.18 116.25 118.67 1o84 h VAL 67 Ca 0.05 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1o84 h VAL 67 Cb 0.78 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1o84 h VAL 67 CO 0.06 0.36 0.15 0.40 0.02 0.00 0.00 177.57 178.56 1o84 h ILE 68 N 0.69 1.16 -0.70 4.57 2.04 -1.01 -1.35 117.51 122.91 1o84 h ILE 68 Ca 0.13 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1o84 h ILE 68 Cb 0.50 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1o84 h ILE 68 CO 0.03 0.17 0.20 0.00 0.00 0.00 0.00 178.15 178.54 1o84 h ALA 69 N 1.00 1.03 0.00 1.87 0.00 -1.04 -1.95 119.26 120.18 1o84 h ALA 69 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1o84 h ALA 69 Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1o84 h ALA 69 CO -0.01 0.64 0.00 1.87 0.00 0.00 0.00 179.25 181.75