#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 -0.07 0.42 3.04 0.00 -1.26 -2.07 119.26 119.32 1o84 h ALA 2 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1o84 h ALA 2 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1o84 h ALA 2 CO 0.00 -0.11 -0.29 -0.22 0.00 0.00 0.00 179.25 178.63 1o84 h LYS 3 N -0.94 -0.66 -0.02 0.00 3.64 -0.89 0.45 116.57 118.15 1o84 h LYS 3 Ca -0.01 0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.23 1o84 h LYS 3 Cb 0.58 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1o84 h LYS 3 CO 0.01 -0.44 -0.81 0.93 -2.27 0.00 0.00 179.45 176.87 1o84 h GLU 4 N -0.69 0.26 0.00 1.90 4.39 -1.04 -3.40 114.58 116.01 1o84 h GLU 4 Ca -0.04 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1o84 h GLU 4 Cb 0.58 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1o84 h GLU 4 CO 0.03 0.94 -0.15 1.19 -1.16 0.00 0.00 179.01 179.86 1o84 n PHE 5 N -3.74 0.00 -2.47 4.33 3.01 -0.91 -5.03 117.46 112.66 1o84 n PHE 5 Ca -0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 1o84 n PHE 5 Cb 0.76 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.24 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 0.92 0.10 3.63 1.37 0.00 0.15 -4.22 105.19 107.14 1o84 n GLY 6 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.71 4.96 0.53 -0.61 1.01 -1.01 -4.91 121.20 118.47 1o84 s ILE 7 Ca 0.09 1.19 -0.22 0.00 0.00 0.00 0.00 60.65 61.72 1o84 s ILE 7 Cb -0.04 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 1o84 s ILE 7 CO 0.12 0.01 1.25 -2.65 0.00 0.00 0.00 174.94 173.67 1o84 n PRO 8 N 5.75 1.57 -0.16 2.79 -0.02 -1.26 -3.94 135.00 139.72 1o84 n PRO 8 Ca 0.00 0.57 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1o84 n PRO 8 Cb 0.49 -2.43 0.23 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.38 1.35 0.00 3.55 0.00 -1.96 -1.68 119.26 121.90 1o84 h ALA 9 Ca -0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1o84 h ALA 9 Cb 1.32 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1o84 h ALA 9 CO 0.56 0.51 -0.15 0.00 0.00 0.00 0.00 179.25 180.17 1o84 h ALA 10 N 1.45 1.68 0.00 0.00 0.00 -2.00 -1.19 119.26 119.20 1o84 h ALA 10 Ca 0.22 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1o84 h ALA 10 Cb 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1o84 h ALA 10 CO -0.03 0.19 -1.23 0.28 0.00 0.00 0.00 179.25 178.46 1o84 h VAL 11 N 0.00 1.28 0.12 0.00 2.07 -1.67 -3.06 116.25 114.99 1o84 h VAL 11 Ca -0.00 -3.00 -0.28 0.00 0.82 0.00 0.00 66.70 64.23 1o84 h VAL 11 Cb 0.28 2.62 0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1o84 h VAL 11 CO 0.02 0.73 -1.19 0.00 0.02 0.00 0.00 177.57 177.15 1o84 h ALA 12 N 1.06 -0.02 0.01 1.67 0.00 -1.16 -2.10 119.26 118.72 1o84 h ALA 12 Ca -0.11 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 1o84 h ALA 12 Cb 1.81 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1o84 h ALA 12 CO 0.10 0.64 -0.00 0.78 0.00 0.00 0.00 179.25 180.77 1o84 h GLY 13 N 0.20 -0.01 -0.04 0.00 0.00 -1.35 -0.15 103.07 101.73 1o84 h GLY 13 Ca -0.18 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1o84 h GLY 13 CO 0.23 -0.00 -0.44 -0.84 0.00 0.00 0.00 176.54 175.49 1o84 h THR 14 N -0.19 0.12 -0.72 4.70 2.02 -1.51 0.57 112.91 117.91 1o84 h THR 14 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1o84 h THR 14 Cb 0.18 0.12 -0.11 0.00 -1.74 0.00 0.00 68.15 66.61 1o84 h THR 14 CO 0.00 0.00 0.17 0.58 0.37 0.00 0.00 175.52 176.64 1o84 h VAL 15 N -0.49 0.53 -0.31 3.16 2.07 -1.03 -0.90 116.25 119.27 1o84 h VAL 15 Ca 0.08 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 1o84 h VAL 15 Cb 0.63 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1o84 h VAL 15 CO -0.42 0.05 -0.48 -0.07 0.02 0.00 0.00 177.57 176.67 1o84 h LEU 16 N 0.27 0.93 -0.03 2.57 3.38 -0.16 -1.40 115.31 120.89 1o84 h LEU 16 Ca 0.40 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1o84 h LEU 16 Cb 0.68 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1o84 h LEU 16 CO -0.50 1.25 -0.28 0.78 0.09 0.00 0.00 178.44 179.79 1o84 h ASN 17 N 0.68 -0.83 -0.95 -0.43 2.35 0.21 0.13 115.58 116.73 1o84 h ASN 17 Ca 0.03 0.12 0.18 0.00 -0.55 0.00 0.00 56.30 56.07 1o84 h ASN 17 Cb 1.07 0.34 -0.10 0.00 0.05 0.00 0.00 38.32 39.68 1o84 h ASN 17 CO 0.11 -0.34 0.55 0.58 -1.65 0.00 0.00 177.43 176.68 1o84 h VAL 18 N -0.41 0.71 0.92 2.81 2.07 -1.02 0.95 116.25 122.28 1o84 h VAL 18 Ca 0.07 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1o84 h VAL 18 Cb 0.51 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1o84 h VAL 18 CO -0.26 0.13 -0.44 0.58 0.02 0.00 0.00 177.57 177.60 1o84 h VAL 19 N 0.72 0.01 -0.04 2.57 2.07 -0.66 0.38 116.25 121.30 1o84 h VAL 19 Ca 0.54 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.98 1o84 h VAL 19 Cb 0.82 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1o84 h VAL 19 CO -0.38 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.13 1o84 h GLU 20 N -1.32 0.00 -0.63 1.57 5.08 -0.14 -0.58 114.58 118.56 1o84 h GLU 20 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1o84 h GLU 20 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1o84 h GLU 20 CO 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 1o84 n ALA 21 N -1.99 2.54 -3.16 3.43 0.00 0.27 -4.95 120.51 116.66 1o84 n ALA 21 Ca -0.01 -1.39 -0.19 0.00 0.00 0.00 0.00 53.44 51.85 1o84 n ALA 21 Cb 0.32 -0.85 0.05 0.00 0.00 0.00 0.00 19.45 18.97 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 1.24 -0.26 3.78 0.00 0.00 -0.23 -4.99 105.19 104.73 1o84 n GLY 22 Ca 0.22 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.05 1.61 0.28 -0.02 0.00 0.09 -5.00 107.32 101.23 1o84 s GLY 23 Ca 0.37 -0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 1o84 s GLY 23 CO 0.46 0.22 1.60 -0.98 0.00 0.00 0.00 173.10 174.40 1o84 s TRP 24 N -3.13 2.78 0.32 1.90 0.51 -1.26 -4.90 118.94 115.15 1o84 s TRP 24 Ca 0.62 0.75 0.06 0.00 -2.12 0.00 0.00 56.10 55.41 1o84 s TRP 24 Cb -0.15 -4.07 0.71 0.00 -0.81 0.00 0.00 33.47 29.15 1o84 s TRP 24 CO 0.55 -3.62 1.83 0.28 -0.51 0.00 0.00 176.95 175.47 1o84 h VAL 25 N 3.44 0.82 0.00 4.03 2.07 -1.98 0.13 116.25 124.76 1o84 h VAL 25 Ca -0.47 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1o84 h VAL 25 Cb 1.22 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1o84 h VAL 25 CO 0.81 0.15 -0.18 0.71 0.02 0.00 0.00 177.57 179.08 1o84 h THR 26 N 0.82 0.75 0.20 2.57 1.35 -1.98 0.69 112.91 117.30 1o84 h THR 26 Ca 0.51 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1o84 h THR 26 Cb 0.71 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1o84 h THR 26 CO -0.28 0.18 -0.10 0.74 -0.25 0.00 0.00 175.52 175.81 1o84 h THR 27 N 0.00 0.90 -0.99 6.82 2.02 -1.11 -1.82 112.91 118.73 1o84 h THR 27 Ca -0.00 -0.68 0.13 0.00 0.77 0.00 0.00 66.41 66.63 1o84 h THR 27 Cb 0.43 1.29 -0.08 0.00 -1.74 0.00 0.00 68.15 68.04 1o84 h THR 27 CO 0.02 0.15 0.62 0.40 0.37 0.00 0.00 175.52 177.08 1o84 h ILE 28 N -0.62 0.89 -0.35 3.11 2.04 -1.08 -1.99 117.51 119.52 1o84 h ILE 28 Ca -0.03 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.38 1o84 h ILE 28 Cb 0.45 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1o84 h ILE 28 CO 0.04 0.17 -0.31 0.58 0.00 0.00 0.00 178.15 178.64 1o84 h VAL 29 N 0.93 1.29 -0.43 1.67 2.07 -0.81 -1.23 116.25 119.73 1o84 h VAL 29 Ca 0.50 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 1o84 h VAL 29 Cb 0.56 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1o84 h VAL 29 CO -0.26 0.48 -0.25 0.77 0.02 0.00 0.00 177.57 178.33 1o84 h SER 30 N 0.60 0.98 -0.01 0.57 4.64 -0.73 -0.63 113.55 118.97 1o84 h SER 30 Ca 0.06 -0.42 0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1o84 h SER 30 Cb 0.89 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1o84 h SER 30 CO 0.08 1.18 -0.06 0.40 -0.87 0.00 0.00 176.83 177.55 1o84 h ILE 31 N 0.77 0.83 -0.38 0.95 2.04 -1.37 -1.54 117.51 118.81 1o84 h ILE 31 Ca 0.09 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.85 1o84 h ILE 31 Cb 0.83 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1o84 h ILE 31 CO 0.07 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.97 1o84 h LEU 32 N -0.11 0.72 -0.96 1.44 3.38 -1.09 -2.46 115.31 116.24 1o84 h LEU 32 Ca 0.03 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1o84 h LEU 32 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1o84 h LEU 32 CO -0.08 0.91 0.01 0.74 0.09 0.00 0.00 178.44 180.11 1o84 h THR 33 N 0.64 1.24 0.00 0.22 2.02 -1.07 -2.95 112.91 113.01 1o84 h THR 33 Ca 0.10 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 1o84 h THR 33 Cb 0.67 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1o84 h THR 33 CO 0.05 0.34 -0.41 0.00 0.37 0.00 0.00 175.52 175.87 1o84 h ALA 34 N 1.29 1.31 0.00 6.16 0.00 -0.81 -2.85 119.26 124.36 1o84 h ALA 34 Ca 0.14 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1o84 h ALA 34 Cb 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1o84 h ALA 34 CO 0.02 0.51 -0.00 0.28 0.00 0.00 0.00 179.25 180.05 1o84 h VAL 35 N 0.00 0.06 0.00 0.00 2.07 -1.31 -3.48 116.25 113.59 1o84 h VAL 35 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1o84 h VAL 35 Cb 0.73 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1o84 h VAL 35 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1o84 n GLY 36 N -0.94 0.15 0.22 2.17 0.00 -1.08 -4.58 105.19 101.13 1o84 n GLY 36 Ca -0.03 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 0.84 0.00 -0.13 1.61 4.64 -1.90 -0.98 113.55 117.63 1o84 h SER 37 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1o84 h SER 37 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1o84 h SER 37 CO 0.00 0.19 -0.50 1.23 -0.87 0.00 0.00 176.83 176.88 1o84 h GLY 38 N 2.53 0.76 0.98 -0.77 0.00 -1.81 0.74 103.07 105.51 1o84 h GLY 38 Ca -0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.39 1o84 h GLY 38 CO 0.03 0.76 -0.11 -1.33 0.00 0.00 0.00 176.54 175.89 1o84 h GLY 39 N 0.92 0.84 0.93 4.60 0.00 -1.50 -2.11 103.07 106.75 1o84 h GLY 39 Ca 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.66 1o84 h GLY 39 CO 0.10 0.64 0.20 1.41 0.00 0.00 0.00 176.54 178.89 1o84 h LEU 40 N 0.59 0.32 -0.77 3.11 3.38 -1.10 -0.25 115.31 120.59 1o84 h LEU 40 Ca 0.10 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.22 1o84 h LEU 40 Cb 0.64 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1o84 h LEU 40 CO 0.04 0.24 0.31 0.28 0.09 0.00 0.00 178.44 179.40 1o84 h SER 41 N 0.41 0.29 0.38 -0.43 0.02 -0.85 0.35 113.55 113.71 1o84 h SER 41 Ca 0.13 0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 61.04 1o84 h SER 41 Cb -0.00 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1o84 h SER 41 CO -0.06 0.10 -0.63 0.25 -1.14 0.00 0.00 176.83 175.35 1o84 h LEU 42 N 0.44 0.28 -0.07 5.07 5.85 -0.87 0.31 115.31 126.32 1o84 h LEU 42 Ca 0.43 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1o84 h LEU 42 Cb 0.66 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1o84 h LEU 42 CO -0.41 0.84 0.04 -0.07 -0.34 0.00 0.00 178.44 178.49 1o84 h LEU 43 N 0.18 0.08 -1.07 2.25 3.38 -0.60 -2.87 115.31 116.65 1o84 h LEU 43 Ca -0.01 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1o84 h LEU 43 Cb 1.15 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 1o84 h LEU 43 CO 0.10 0.13 0.62 0.00 0.09 0.00 0.00 178.44 179.38 1o84 h ALA 44 N 0.95 1.47 -0.00 1.53 0.00 0.01 -2.88 119.26 120.34 1o84 h ALA 44 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1o84 h ALA 44 Cb 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1o84 h ALA 44 CO -0.00 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1o84 h ALA 45 N 1.49 1.74 -0.58 0.00 0.00 -0.71 -2.44 119.26 118.77 1o84 h ALA 45 Ca 0.42 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 1o84 h ALA 45 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1o84 h ALA 45 CO -0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.01 1o84 h ALA 46 N 2.00 0.78 0.00 0.00 0.00 -1.49 -3.48 119.26 117.07 1o84 h ALA 46 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1o84 h ALA 46 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1o84 h ALA 46 CO -0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1o84 n GLY 47 N -0.33 1.33 0.00 0.00 0.00 -0.92 -3.65 105.19 101.62 1o84 n GLY 47 Ca 0.02 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 1.53 1.34 -0.59 1.61 1.74 -1.26 -4.94 116.66 116.09 1o84 n ARG 48 Ca 0.00 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 1o84 n ARG 48 Cb 0.00 -1.31 0.21 0.00 -1.02 0.00 0.00 32.46 30.34 1o84 n ARG 48 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1o84 n GLU 49 N -1.53 -1.51 -2.94 5.56 1.02 -1.24 -5.02 120.64 114.99 1o84 n GLU 49 Ca 0.02 -0.40 -0.32 0.00 -0.02 0.00 0.00 57.16 56.44 1o84 n GLU 49 Cb 0.29 -2.18 -0.06 0.00 -0.02 0.00 0.00 31.44 29.48 1o84 n GLU 49 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1o84 s SER 50 N -2.40 6.80 0.28 1.62 1.04 -1.26 -4.93 113.70 114.84 1o84 s SER 50 Ca 0.66 1.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.51 1o84 s SER 50 Cb -0.23 -2.44 0.39 0.00 0.10 0.00 0.00 66.02 63.84 1o84 s SER 50 CO 0.63 -0.31 1.82 -0.29 0.98 0.00 0.00 173.24 176.07 1o84 h ILE 51 N 1.77 1.23 0.16 -1.02 6.09 -1.95 0.13 117.51 123.93 1o84 h ILE 51 Ca -0.48 -0.83 -0.00 0.00 -1.37 0.00 0.00 64.86 62.17 1o84 h ILE 51 Cb 1.18 0.69 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 1o84 h ILE 51 CO 0.63 0.31 -0.11 0.50 -3.07 0.00 0.00 178.15 176.41 1o84 h LYS 52 N 0.80 -0.26 -0.21 2.19 3.64 -1.93 0.26 116.57 121.06 1o84 h LYS 52 Ca 0.17 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1o84 h LYS 52 Cb 0.31 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1o84 h LYS 52 CO 0.00 -0.18 0.02 0.00 -2.27 0.00 0.00 179.45 177.03 1o84 h ALA 53 N 0.56 0.20 0.29 5.00 0.00 -1.82 0.17 119.26 123.67 1o84 h ALA 53 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1o84 h ALA 53 Cb 0.24 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1o84 h ALA 53 CO -0.00 -0.41 -0.23 -0.92 0.00 0.00 0.00 179.25 177.69 1o84 h TYR 54 N 0.10 -0.61 -0.45 0.00 3.20 -0.51 -2.55 116.97 116.15 1o84 h TYR 54 Ca 0.09 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1o84 h TYR 54 Cb 0.10 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1o84 h TYR 54 CO -0.16 -0.35 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.93 1o84 h LEU 55 N -0.53 0.71 -0.24 2.82 3.38 -0.17 -1.79 115.31 119.49 1o84 h LEU 55 Ca -0.02 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1o84 h LEU 55 Cb 0.47 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1o84 h LEU 55 CO -0.01 0.79 -0.37 0.50 0.09 0.00 0.00 178.44 179.43 1o84 h LYS 56 N 0.69 -0.37 -0.18 1.13 3.64 -0.58 -0.34 116.57 120.57 1o84 h LYS 56 Ca 0.13 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1o84 h LYS 56 Cb 0.45 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 1o84 h LYS 56 CO 0.02 -0.24 -0.33 -0.22 -2.27 0.00 0.00 179.45 176.41 1o84 h LYS 57 N -0.38 -0.36 -1.00 1.90 3.64 -1.22 -0.37 116.57 118.77 1o84 h LYS 57 Ca 0.11 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.74 1o84 h LYS 57 Cb 0.58 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.37 1o84 h LYS 57 CO -0.45 -0.24 0.61 0.93 -2.27 0.00 0.00 179.45 178.04 1o84 h GLU 58 N -0.38 0.62 -0.06 1.90 4.39 -0.89 -0.41 114.58 119.75 1o84 h GLU 58 Ca 0.11 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.53 1o84 h GLU 58 Cb 0.55 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1o84 h GLU 58 CO -0.39 0.41 -0.90 0.82 -1.16 0.00 0.00 179.01 177.79 1o84 h ILE 59 N 0.64 1.31 -0.60 3.13 2.04 -0.87 -1.95 117.51 121.21 1o84 h ILE 59 Ca 0.60 -2.19 0.06 0.00 1.00 0.00 0.00 64.86 64.33 1o84 h ILE 59 Cb 1.10 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 39.35 1o84 h ILE 59 CO -0.39 0.67 0.30 0.50 0.00 0.00 0.00 178.15 179.23 1o84 h LYS 60 N 0.40 0.54 0.12 2.37 3.64 0.32 0.51 116.57 124.46 1o84 h LYS 60 Ca -0.08 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.07 1o84 h LYS 60 Cb 1.53 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 33.25 1o84 h LYS 60 CO 0.17 0.35 -0.83 1.57 -2.27 0.00 0.00 179.45 178.45 1o84 h LYS 61 N 0.55 0.35 -0.00 1.90 2.10 -1.19 -3.39 116.57 116.89 1o84 h LYS 61 Ca 0.27 -0.54 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1o84 h LYS 61 Cb 0.22 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1o84 h LYS 61 CO -0.20 1.23 -0.52 1.63 -2.00 0.00 0.00 179.45 179.59 1o84 n LYS 62 N -4.11 2.69 -0.57 0.07 5.02 -0.73 -5.10 118.16 115.43 1o84 n LYS 62 Ca -0.13 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1o84 n LYS 62 Cb 0.81 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 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 1.24 -3.62 0.01 0.72 0.00 0.18 -4.15 105.19 99.56 1o84 n GLY 63 Ca 0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 46.02 45.08 1o84 n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o84 n LYS 64 N -0.83 -0.01 -0.28 1.61 4.81 -1.26 -1.19 118.16 121.01 1o84 n LYS 64 Ca 0.00 0.04 0.09 0.00 -0.87 0.00 0.00 58.31 57.58 1o84 n LYS 64 Cb 0.00 -0.07 0.25 0.00 0.02 0.00 0.00 35.03 35.23 1o84 n LYS 64 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1o84 h ARG 65 N 0.00 0.36 0.03 1.64 2.43 -1.97 -0.41 114.38 116.45 1o84 h ARG 65 Ca 0.00 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 1o84 h ARG 65 Cb 0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1o84 h ARG 65 CO -0.01 0.24 -0.96 0.00 -1.51 0.00 0.00 179.97 177.73 1o84 h ALA 66 N 1.65 0.41 -0.20 2.80 0.00 -1.31 -2.60 119.26 120.01 1o84 h ALA 66 Ca 0.49 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1o84 h ALA 66 Cb 0.87 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1o84 h ALA 66 CO -0.50 0.95 -0.19 0.28 0.00 0.00 0.00 179.25 179.79 1o84 h VAL 67 N 0.10 1.23 -0.49 0.00 2.07 -0.88 0.15 116.25 118.43 1o84 h VAL 67 Ca -0.06 -1.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.30 1o84 h VAL 67 Cb 1.63 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1o84 h VAL 67 CO 0.15 0.33 -0.13 0.40 0.02 0.00 0.00 177.57 178.34 1o84 h ILE 68 N 0.33 1.27 -0.10 4.57 2.04 -0.94 -1.11 117.51 123.56 1o84 h ILE 68 Ca 0.06 -1.26 -0.17 0.00 1.00 0.00 0.00 64.86 64.49 1o84 h ILE 68 Cb 0.52 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1o84 h ILE 68 CO 0.03 0.44 -0.66 0.00 0.00 0.00 0.00 178.15 177.97 1o84 h ALA 69 N 1.02 0.69 0.00 1.87 0.00 -1.06 -2.32 119.26 119.46 1o84 h ALA 69 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1o84 h ALA 69 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1o84 h ALA 69 CO 0.05 0.74 0.00 1.87 0.00 0.00 0.00 179.25 181.91