#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p78 s ASN 2 N 0.00 5.14 0.14 6.12 2.20 -1.26 -4.93 114.94 122.35 1p78 s ASN 2 Ca 0.00 -0.81 -0.27 0.00 -0.94 0.00 0.00 52.86 50.84 1p78 s ASN 2 Cb 0.00 0.11 -0.03 0.00 -2.00 0.00 0.00 41.25 39.33 1p78 s ASN 2 CO 0.00 -1.19 1.59 0.50 -2.94 0.00 0.00 177.10 175.07 1p78 h LYS 3 N 0.36 -0.40 -0.47 3.55 3.64 -2.05 -0.82 116.57 120.37 1p78 h LYS 3 Ca -0.33 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.17 1p78 h LYS 3 Cb 1.29 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 33.10 1p78 h LYS 3 CO 0.44 -0.27 -0.26 0.78 -2.27 0.00 0.00 179.45 177.87 1p78 h GLY 4 N -0.42 -0.01 1.01 5.01 0.00 -1.99 0.15 103.07 106.83 1p78 h GLY 4 Ca 0.10 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 1p78 h GLY 4 CO -0.41 -0.21 0.47 0.83 0.00 0.00 0.00 176.54 177.22 1p78 h GLU 5 N -0.16 1.13 0.15 4.80 5.08 -1.84 0.13 114.58 123.86 1p78 h GLU 5 Ca 0.21 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1p78 h GLU 5 Cb 0.50 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1p78 h GLU 5 CO -0.56 0.81 -0.08 1.25 -1.00 0.00 0.00 179.01 179.43 1p78 h LEU 6 N 1.13 -0.20 -0.51 1.33 5.85 -0.36 -1.39 115.31 121.16 1p78 h LEU 6 Ca 0.29 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.12 1p78 h LEU 6 Cb -0.01 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 1p78 h LEU 6 CO -0.05 -0.14 -0.09 0.58 -0.34 0.00 0.00 178.44 178.40 1p78 h VAL 7 N -0.22 0.52 -0.11 1.05 2.07 0.11 -0.35 116.25 119.32 1p78 h VAL 7 Ca -0.02 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1p78 h VAL 7 Cb 0.18 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1p78 h VAL 7 CO 0.02 0.00 -0.37 0.44 0.02 0.00 0.00 177.57 177.69 1p78 h ASP 8 N 0.03 -1.14 -0.70 0.57 5.19 -0.77 -0.73 116.42 118.87 1p78 h ASP 8 Ca 0.25 0.16 0.06 0.00 -0.62 0.00 0.00 57.03 56.87 1p78 h ASP 8 Cb 0.38 0.47 -0.04 0.00 0.18 0.00 0.00 39.33 40.32 1p78 h ASP 8 CO -0.50 -0.40 0.46 0.00 -3.12 0.00 0.00 179.24 175.68 1p78 h ALA 9 N 0.26 1.71 0.07 3.45 0.00 -0.53 -3.06 119.26 121.15 1p78 h ALA 9 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1p78 h ALA 9 Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1p78 h ALA 9 CO -0.36 0.19 -0.03 0.28 0.00 0.00 0.00 179.25 179.33 1p78 h VAL 10 N 0.74 1.24 -1.18 0.00 2.07 -0.62 -2.87 116.25 115.64 1p78 h VAL 10 Ca 0.30 -1.28 0.38 0.00 0.82 0.00 0.00 66.70 66.91 1p78 h VAL 10 Cb 0.23 2.05 -0.13 0.00 -1.52 0.00 0.00 31.29 31.92 1p78 h VAL 10 CO -0.09 0.31 0.74 0.00 0.02 0.00 0.00 177.57 178.54 1p78 h ALA 11 N 0.15 2.44 -0.04 1.67 0.00 -1.05 -0.19 119.26 122.24 1p78 h ALA 11 Ca -0.01 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1p78 h ALA 11 Cb 0.57 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1p78 h ALA 11 CO 0.01 -1.03 -0.20 0.93 0.00 0.00 0.00 179.25 178.96 1p78 h GLU 12 N 0.19 0.21 -0.32 0.00 5.08 -1.52 0.43 114.58 118.66 1p78 h GLU 12 Ca 0.76 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.82 1p78 h GLU 12 Cb 2.15 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.42 1p78 h GLU 12 CO -0.45 0.82 -0.30 0.87 -1.00 0.00 0.00 179.01 178.95 1p78 h LYS 13 N -0.34 0.68 0.00 2.33 1.57 -0.82 -3.30 116.57 116.68 1p78 h LYS 13 Ca -0.01 -0.30 -0.35 0.00 -1.87 0.00 0.00 60.65 58.11 1p78 h LYS 13 Cb 0.85 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.08 1p78 h LYS 13 CO 0.04 0.89 -2.33 0.00 -0.57 0.00 0.00 179.45 177.49 1p78 n ALA 14 N -2.50 1.52 -1.29 3.86 0.00 -0.86 -5.07 120.51 116.17 1p78 n ALA 14 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1p78 n ALA 14 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1p78 n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1p78 n SER 15 N -2.74 -1.72 -0.34 0.00 7.64 0.14 -5.08 113.62 111.51 1p78 n SER 15 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.56 1p78 n SER 15 Cb 1.12 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1p78 n SER 15 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1p78 n VAL 16 N -0.42 0.00 -3.70 0.44 0.24 -0.36 -5.02 118.33 109.52 1p78 n VAL 16 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 1p78 n VAL 16 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1p78 n VAL 16 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p78 s THR 17 N -1.71 5.20 0.11 3.34 2.01 -1.26 -4.75 115.64 118.59 1p78 s THR 17 Ca 0.00 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1p78 s THR 17 Cb 0.00 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1p78 s THR 17 CO 0.00 -0.26 1.59 0.11 -0.69 0.00 0.00 174.62 175.38 1p78 h LYS 18 N 1.67 -0.61 -0.95 4.92 1.57 -1.96 1.08 116.57 122.29 1p78 h LYS 18 Ca -0.49 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.52 1p78 h LYS 18 Cb 1.20 0.14 -0.11 0.00 0.08 0.00 0.00 32.23 33.54 1p78 h LYS 18 CO 0.66 -0.40 0.54 -0.22 -0.57 0.00 0.00 179.45 179.45 1p78 h LYS 19 N -0.63 0.64 0.25 3.15 3.64 -1.98 0.21 116.57 121.84 1p78 h LYS 19 Ca 0.03 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1p78 h LYS 19 Cb 0.66 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1p78 h LYS 19 CO -0.23 0.42 -0.12 0.37 -2.27 0.00 0.00 179.45 177.62 1p78 h GLN 20 N 0.66 -0.33 -0.99 1.90 4.15 -1.70 -1.11 115.11 117.68 1p78 h GLN 20 Ca 0.56 0.02 0.19 0.00 0.77 0.00 0.00 58.65 60.19 1p78 h GLN 20 Cb 0.91 0.07 -0.11 0.00 0.21 0.00 0.00 27.48 28.57 1p78 h GLN 20 CO -0.41 -0.22 0.60 0.00 -1.93 0.00 0.00 178.83 176.87 1p78 h ALA 21 N -1.62 1.64 0.85 3.38 0.00 0.12 -0.06 119.26 123.57 1p78 h ALA 21 Ca -0.03 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1p78 h ALA 21 Cb 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1p78 h ALA 21 CO 0.06 -0.05 -0.42 0.22 0.00 0.00 0.00 179.25 179.05 1p78 h ASP 22 N 0.75 -1.01 -0.93 0.00 1.82 -0.99 0.06 116.42 116.13 1p78 h ASP 22 Ca 0.57 0.04 0.25 0.00 -0.39 0.00 0.00 57.03 57.50 1p78 h ASP 22 Cb 0.89 0.27 -0.13 0.00 0.68 0.00 0.00 39.33 41.03 1p78 h ASP 22 CO -0.38 -0.71 0.42 0.00 -1.61 0.00 0.00 179.24 176.96 1p78 h ALA 23 N -1.01 1.55 -0.04 -0.78 0.00 0.26 -1.52 119.26 117.72 1p78 h ALA 23 Ca -0.12 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1p78 h ALA 23 Cb 0.89 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1p78 h ALA 23 CO 0.18 -0.40 -0.26 0.28 0.00 0.00 0.00 179.25 179.05 1p78 h VAL 24 N 0.37 1.47 -0.46 0.00 2.07 -0.86 -1.95 116.25 116.89 1p78 h VAL 24 Ca 0.60 -1.76 0.05 0.00 0.82 0.00 0.00 66.70 66.41 1p78 h VAL 24 Cb 1.21 2.49 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 1p78 h VAL 24 CO -0.56 0.49 0.20 0.25 0.02 0.00 0.00 177.57 177.97 1p78 h LEU 25 N -0.32 0.25 0.06 2.57 5.85 -0.36 -2.23 115.31 121.12 1p78 h LEU 25 Ca -0.02 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1p78 h LEU 25 Cb 0.94 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1p78 h LEU 25 CO 0.05 0.18 -0.42 0.74 -0.34 0.00 0.00 178.44 178.65 1p78 h THR 26 N 0.40 0.15 -0.96 1.05 2.02 -1.34 -0.08 112.91 114.15 1p78 h THR 26 Ca 0.21 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.60 1p78 h THR 26 Cb 0.17 0.15 -0.18 0.00 -1.74 0.00 0.00 68.15 66.55 1p78 h THR 26 CO -0.18 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.53 1p78 h ALA 27 N -0.12 0.74 -0.37 6.16 0.00 -0.98 0.84 119.26 125.53 1p78 h ALA 27 Ca 0.03 0.36 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1p78 h ALA 27 Cb 0.67 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1p78 h ALA 27 CO -0.28 -0.42 0.01 0.00 0.00 0.00 0.00 179.25 178.56 1p78 h ALA 28 N 1.95 0.49 -0.57 0.00 0.00 -0.74 -1.09 119.26 119.31 1p78 h ALA 28 Ca 0.48 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1p78 h ALA 28 Cb 0.80 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1p78 h ALA 28 CO -0.96 0.25 0.18 -0.07 0.00 0.00 0.00 179.25 178.64 1p78 h LEU 29 N 0.46 0.82 -0.48 0.00 3.38 0.71 0.99 115.31 121.19 1p78 h LEU 29 Ca 0.11 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1p78 h LEU 29 Cb 0.44 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1p78 h LEU 29 CO 0.02 0.81 -0.40 -0.33 0.09 0.00 0.00 178.44 178.62 1p78 h GLU 30 N 0.79 0.81 -0.63 1.13 5.08 -0.90 -2.63 114.58 118.24 1p78 h GLU 30 Ca 0.18 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1p78 h GLU 30 Cb 0.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1p78 h GLU 30 CO -0.01 1.06 0.25 1.15 -1.00 0.00 0.00 179.01 180.46 1p78 h THR 31 N 0.66 1.23 0.27 1.13 2.02 -1.03 -1.08 112.91 116.11 1p78 h THR 31 Ca 0.05 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1p78 h THR 31 Cb 0.97 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1p78 h THR 31 CO 0.09 0.29 -0.34 0.40 0.37 0.00 0.00 175.52 176.33 1p78 h ILE 32 N 0.88 0.29 -0.25 3.11 2.04 -0.73 -0.79 117.51 122.05 1p78 h ILE 32 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 1p78 h ILE 32 Cb 0.21 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.51 1p78 h ILE 32 CO -0.02 0.00 -0.20 0.40 0.00 0.00 0.00 178.15 178.33 1p78 h ILE 33 N -0.66 0.46 -0.31 -0.67 2.04 -1.41 -1.30 117.51 115.65 1p78 h ILE 33 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1p78 h ILE 33 Cb 0.63 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1p78 h ILE 33 CO -0.11 0.00 -0.10 -0.33 0.00 0.00 0.00 178.15 177.61 1p78 h GLU 34 N -0.19 -0.03 -0.11 2.37 4.39 -1.09 -0.76 114.58 119.15 1p78 h GLU 34 Ca 0.14 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1p78 h GLU 34 Cb 0.41 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1p78 h GLU 34 CO -0.37 -0.02 0.06 0.00 -1.16 0.00 0.00 179.01 177.52 1p78 h ALA 35 N 1.26 0.15 -0.26 3.43 0.00 -0.57 -0.54 119.26 122.72 1p78 h ALA 35 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p78 h ALA 35 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1p78 h ALA 35 CO -0.34 -0.32 0.16 0.28 0.00 0.00 0.00 179.25 179.04 1p78 h VAL 36 N 0.09 1.06 -0.46 0.00 2.07 -1.10 0.37 116.25 118.28 1p78 h VAL 36 Ca 0.04 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1p78 h VAL 36 Cb 0.08 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1p78 h VAL 36 CO -0.01 0.06 0.30 0.28 0.02 0.00 0.00 177.57 178.22 1p78 h SER 37 N 0.34 0.53 -0.22 0.57 0.02 -1.04 -1.95 113.55 111.80 1p78 h SER 37 Ca 0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1p78 h SER 37 Cb -0.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1p78 h SER 37 CO -0.03 0.39 0.00 -1.54 -1.14 0.00 0.00 176.83 174.52 1p78 n SER 38 N -4.46 1.88 0.00 3.07 3.41 -0.22 -4.86 113.62 112.44 1p78 n SER 38 Ca 0.04 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1p78 n SER 38 Cb 0.06 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1p78 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p78 n GLY 39 N 0.60 0.54 3.90 5.00 0.00 -0.73 -5.03 105.19 109.46 1p78 n GLY 39 Ca 0.09 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1p78 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p78 s ASP 40 N -2.39 6.43 -0.21 1.61 3.68 0.12 -4.97 116.67 120.95 1p78 s ASP 40 Ca 0.00 0.44 -0.25 0.00 2.13 0.00 0.00 52.55 54.87 1p78 s ASP 40 Cb 0.00 -2.03 -0.01 0.00 -1.45 0.00 0.00 42.92 39.43 1p78 s ASP 40 CO 0.00 0.18 0.82 -0.75 0.13 0.00 0.00 175.17 175.55 1p78 s LYS 41 N -2.24 4.24 -0.23 4.34 2.20 -1.26 -3.47 119.74 123.32 1p78 s LYS 41 Ca 0.33 0.96 -0.22 0.00 -0.36 0.00 0.00 55.97 56.68 1p78 s LYS 41 Cb -0.13 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1p78 s LYS 41 CO 0.22 -0.41 0.70 0.08 -0.36 0.00 0.00 175.35 175.58 1p78 s VAL 42 N 2.46 4.94 -0.12 4.02 1.01 0.11 -4.94 120.40 127.87 1p78 s VAL 42 Ca 0.36 1.30 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 1p78 s VAL 42 Cb -0.16 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1p78 s VAL 42 CO 0.10 0.02 -0.03 -0.89 0.00 0.00 0.00 175.10 174.29 1p78 s THR 43 N 2.44 3.99 -0.33 3.92 2.01 -1.26 -0.19 115.64 126.23 1p78 s THR 43 Ca 0.30 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 1p78 s THR 43 Cb -0.16 -2.71 0.12 0.00 0.01 0.00 0.00 72.50 69.76 1p78 s THR 43 CO 0.09 0.54 0.16 -0.76 -0.69 0.00 0.00 174.62 173.96 1p78 s LEU 44 N -0.17 1.35 0.02 4.42 1.43 -0.55 -5.00 118.68 120.18 1p78 s LEU 44 Ca 0.04 -1.79 -0.36 0.00 -1.03 0.00 0.00 54.13 50.99 1p78 s LEU 44 Cb -0.13 -0.58 -0.14 0.00 0.03 0.00 0.00 46.19 45.37 1p78 s LEU 44 CO 0.02 -0.38 1.60 0.55 0.23 0.00 0.00 176.35 178.38 1p78 n VAL 45 N 4.61 0.17 0.00 -1.59 3.14 -1.26 -1.29 118.33 122.11 1p78 n VAL 45 Ca 0.02 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1p78 n VAL 45 Cb 0.40 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.81 1p78 n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1p78 n GLY 46 N 3.51 2.49 0.08 7.55 0.00 -1.26 -4.75 105.19 112.81 1p78 n GLY 46 Ca 0.20 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 1p78 n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p78 h PHE 47 N 0.00 0.00 0.00 1.61 3.57 -1.59 -2.46 116.94 118.06 1p78 h PHE 47 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1p78 h PHE 47 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1p78 h PHE 47 CO 0.00 1.11 0.00 0.41 -2.23 0.00 0.00 178.31 177.60 1p78 n GLY 48 N 1.56 0.76 3.55 2.40 0.00 -0.42 -0.26 105.19 112.79 1p78 n GLY 48 Ca -0.16 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 1p78 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p78 s SER 49 N 0.00 4.05 -0.01 1.61 1.04 -0.19 -1.48 113.70 118.72 1p78 s SER 49 Ca 0.00 -0.81 0.08 0.00 0.48 0.00 0.00 55.95 55.70 1p78 s SER 49 Cb 0.00 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.53 1p78 s SER 49 CO 0.00 0.03 -0.25 -0.36 0.98 0.00 0.00 173.24 173.64 1p78 s PHE 50 N -2.30 2.27 0.15 5.02 0.40 0.74 -0.69 117.98 123.56 1p78 s PHE 50 Ca 0.30 -0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 56.05 1p78 s PHE 50 Cb -0.06 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 42.04 1p78 s PHE 50 CO 0.17 -0.02 0.39 -1.83 0.70 0.00 0.00 175.22 174.62 1p78 s GLU 51 N -0.65 1.14 -0.02 0.44 -1.05 0.54 -0.71 118.70 118.39 1p78 s GLU 51 Ca 0.10 -0.85 -0.12 0.00 -0.15 0.00 0.00 54.97 53.94 1p78 s GLU 51 Cb -0.10 0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 33.99 1p78 s GLU 51 CO -0.01 -0.45 0.35 0.45 0.95 0.00 0.00 175.26 176.55 1p78 s SER 52 N -2.86 6.69 -0.02 0.83 0.15 -1.26 0.14 113.70 117.38 1p78 s SER 52 Ca 0.07 0.83 0.05 0.00 0.70 0.00 0.00 55.95 57.60 1p78 s SER 52 Cb 0.02 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 62.12 1p78 s SER 52 CO -0.08 0.32 -0.17 -0.13 1.20 0.00 0.00 173.24 174.38 1p78 s ARG 53 N -1.19 1.51 0.37 5.44 0.52 0.19 -4.89 118.95 120.89 1p78 s ARG 53 Ca 0.23 -0.62 -0.25 0.00 -0.52 0.00 0.00 55.73 54.57 1p78 s ARG 53 Cb -0.15 -1.42 -0.09 0.00 0.52 0.00 0.00 34.95 33.81 1p78 s ARG 53 CO 0.12 0.34 1.04 -1.21 0.02 0.00 0.00 175.30 175.61 1p78 s GLU 54 N -0.29 4.31 -0.10 3.54 0.41 -1.26 -0.41 118.70 124.90 1p78 s GLU 54 Ca 0.04 1.53 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 1p78 s GLU 54 Cb -0.08 -2.69 0.02 0.00 -1.78 0.00 0.00 34.13 29.60 1p78 s GLU 54 CO 0.00 -0.02 -0.08 1.03 -0.49 0.00 0.00 175.26 175.70 1p78 s ARG 55 N -2.25 1.53 0.66 1.61 1.81 0.11 -4.89 118.95 117.54 1p78 s ARG 55 Ca 0.54 -0.28 -0.15 0.00 -1.72 0.00 0.00 55.73 54.13 1p78 s ARG 55 Cb -0.23 -1.52 -0.00 0.00 -0.45 0.00 0.00 34.95 32.75 1p78 s ARG 55 CO 0.29 -0.20 1.10 0.15 -0.68 0.00 0.00 175.30 175.97 1p78 s LYS 56 N 1.46 2.83 0.44 3.54 1.02 -1.26 -0.17 119.74 127.60 1p78 s LYS 56 Ca 0.00 1.35 -0.24 0.00 0.02 0.00 0.00 55.97 57.10 1p78 s LYS 56 Cb -0.13 -1.96 -0.10 0.00 -0.52 0.00 0.00 37.83 35.12 1p78 s LYS 56 CO -0.05 -1.22 1.15 0.00 -0.92 0.00 0.00 175.35 174.31 1p78 n ALA 57 N -2.46 0.79 -3.10 5.17 0.00 -1.26 -4.39 120.51 115.25 1p78 n ALA 57 Ca 0.10 0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 1p78 n ALA 57 Cb 0.52 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.69 1p78 n ALA 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1p78 s ARG 58 N -2.20 0.47 0.16 0.00 1.70 0.12 -4.89 118.95 114.32 1p78 s ARG 58 Ca 0.63 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 55.21 1p78 s ARG 58 Cb -0.52 0.20 -0.07 0.00 -0.57 0.00 0.00 34.95 33.99 1p78 s ARG 58 CO 0.56 -0.11 1.06 -1.21 -1.08 0.00 0.00 175.30 174.53 1p78 s GLU 59 N -1.34 4.62 0.00 3.89 2.02 -1.26 0.42 118.70 127.05 1p78 s GLU 59 Ca -0.14 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.49 1p78 s GLU 59 Cb -0.07 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1p78 s GLU 59 CO 0.02 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1p78 n GLY 60 N 2.12 5.93 3.20 -1.39 0.00 0.30 -4.85 105.19 110.50 1p78 n GLY 60 Ca 0.03 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 1p78 n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p78 s ARG 61 N -0.21 0.33 -0.08 1.61 3.52 -1.26 -1.59 118.95 121.27 1p78 s ARG 61 Ca 0.00 0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 56.00 1p78 s ARG 61 Cb 0.00 -0.05 -0.06 0.00 -1.56 0.00 0.00 34.95 33.28 1p78 s ARG 61 CO 0.00 -0.16 1.92 1.21 -0.81 0.00 0.00 175.30 177.46 1p78 s ASN 62 N 1.31 6.24 0.55 -2.12 3.84 -0.60 -4.89 114.94 119.27 1p78 s ASN 62 Ca -0.09 2.25 0.33 0.00 0.21 0.00 0.00 52.86 55.56 1p78 s ASN 62 Cb -0.09 -2.53 1.33 0.00 -0.55 0.00 0.00 41.25 39.41 1p78 s ASN 62 CO -0.11 -1.28 1.97 1.55 -2.79 0.00 0.00 177.10 176.44 1p78 h PRO 63 N 11.50 0.00 0.00 0.43 0.13 -1.94 0.18 132.00 142.29 1p78 h PRO 63 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1p78 h PRO 63 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1p78 h PRO 63 CO 0.96 0.00 -0.44 0.87 -0.23 0.00 0.00 178.00 179.16 1p78 h LYS 64 N 0.00 0.00 0.00 0.86 1.79 -1.98 -3.39 116.57 113.85 1p78 h LYS 64 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1p78 h LYS 64 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1p78 h LYS 64 CO 0.00 0.30 -0.51 0.25 -1.08 0.00 0.00 179.45 178.41 1p78 n THR 65 N -4.63 0.27 -0.80 -0.16 -2.24 -1.25 -4.94 114.28 100.53 1p78 n THR 65 Ca -0.10 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1p78 n THR 65 Cb 0.29 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1p78 n THR 65 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p78 n ASN 66 N -1.94 -1.35 -4.77 3.42 2.85 0.63 -4.99 115.26 109.11 1p78 n ASN 66 Ca 0.04 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.15 1p78 n ASN 66 Cb 0.41 -1.61 -0.00 0.00 1.24 0.00 0.00 39.78 39.81 1p78 n ASN 66 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1p78 s GLU 67 N -0.72 3.61 0.38 1.20 2.02 -1.25 -4.72 118.70 119.22 1p78 s GLU 67 Ca 0.00 1.76 -0.26 0.00 0.02 0.00 0.00 54.97 56.50 1p78 s GLU 67 Cb 0.00 -2.29 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1p78 s GLU 67 CO 0.00 -0.68 1.17 0.21 0.02 0.00 0.00 175.26 175.98 1p78 s LYS 68 N -2.86 4.13 0.21 1.61 2.47 -1.26 -1.56 119.74 122.48 1p78 s LYS 68 Ca 0.67 1.84 -0.03 0.00 -1.56 0.00 0.00 55.97 56.89 1p78 s LYS 68 Cb -0.28 -2.74 -0.03 0.00 -1.46 0.00 0.00 37.83 33.31 1p78 s LYS 68 CO 0.33 -0.25 0.18 0.00 0.16 0.00 0.00 175.35 175.78 1p78 s MET 69 N -2.20 1.26 -0.21 4.03 0.23 -0.62 -4.89 119.30 116.90 1p78 s MET 69 Ca 0.55 -1.58 -0.06 0.00 -1.03 0.00 0.00 55.69 53.58 1p78 s MET 69 Cb -0.31 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.27 1p78 s MET 69 CO 0.39 -0.43 0.02 -2.00 -2.03 0.00 0.00 175.02 170.97 1p78 s GLU 70 N -4.13 3.65 -0.33 3.16 2.12 -1.26 -0.54 118.70 121.38 1p78 s GLU 70 Ca 0.37 -0.50 -0.26 0.00 0.36 0.00 0.00 54.97 54.94 1p78 s GLU 70 Cb 0.06 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.31 1p78 s GLU 70 CO 0.12 -0.01 0.91 0.42 -0.54 0.00 0.00 175.26 176.16 1p78 s ILE 71 N 1.09 4.64 0.72 -3.70 1.01 0.17 -4.91 121.20 120.22 1p78 s ILE 71 Ca 0.03 1.33 -0.14 0.00 0.00 0.00 0.00 60.65 61.87 1p78 s ILE 71 Cb -0.14 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.07 1p78 s ILE 71 CO 0.02 -0.41 1.16 -2.16 0.00 0.00 0.00 174.94 173.55 1p78 s PRO 72 N 3.32 2.31 0.57 2.79 0.04 -1.26 -0.70 135.00 142.07 1p78 s PRO 72 Ca 0.38 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 1p78 s PRO 72 Cb -0.13 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1p78 s PRO 72 CO 0.15 -1.66 0.95 0.00 0.04 0.00 0.00 177.00 176.48 1p78 n ALA 73 N -2.74 0.13 -3.48 8.56 0.00 -1.26 -4.56 120.51 117.16 1p78 n ALA 73 Ca 0.12 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1p78 n ALA 73 Cb 0.51 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 1p78 n ALA 73 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1p78 n THR 74 N -1.52 0.00 -4.98 0.00 5.66 0.77 -4.88 114.28 109.32 1p78 n THR 74 Ca 0.13 -0.83 -0.28 0.00 -3.05 0.00 0.00 64.05 60.02 1p78 n THR 74 Cb 0.46 0.51 -0.16 0.00 -1.55 0.00 0.00 70.33 69.59 1p78 n THR 74 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1p78 s ARG 75 N -2.37 2.03 0.02 1.09 0.52 -1.26 0.07 118.95 119.06 1p78 s ARG 75 Ca 0.14 -0.71 0.08 0.00 -0.52 0.00 0.00 55.73 54.72 1p78 s ARG 75 Cb -0.00 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.69 1p78 s ARG 75 CO 0.10 0.29 -0.24 0.14 0.02 0.00 0.00 175.30 175.61 1p78 s VAL 76 N -0.04 1.94 0.40 3.52 -7.23 0.46 -4.91 120.40 114.54 1p78 s VAL 76 Ca -0.04 -1.22 -0.26 0.00 -1.81 0.00 0.00 61.98 58.65 1p78 s VAL 76 Cb -0.12 -1.65 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 1p78 s VAL 76 CO 0.03 0.38 1.27 -2.16 -0.31 0.00 0.00 175.10 174.31 1p78 s PRO 77 N -1.00 4.02 0.01 4.82 0.04 -1.26 0.54 135.00 142.17 1p78 s PRO 77 Ca 0.10 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1p78 s PRO 77 Cb -0.09 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1p78 s PRO 77 CO 0.01 -0.43 -0.05 0.00 0.04 0.00 0.00 177.00 176.57 1p78 s ALA 78 N -1.28 0.40 -0.01 8.56 0.00 0.37 -4.84 121.76 124.96 1p78 s ALA 78 Ca 0.56 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.27 1p78 s ALA 78 Cb -0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1p78 s ALA 78 CO 0.47 0.06 -0.17 0.12 0.00 0.00 0.00 175.76 176.24 1p78 s PHE 79 N -0.38 2.59 -0.18 0.00 5.36 -1.26 -0.34 117.98 123.77 1p78 s PHE 79 Ca -0.01 -0.24 -0.00 0.00 -0.96 0.00 0.00 56.93 55.72 1p78 s PHE 79 Cb -0.03 -1.55 0.05 0.00 -0.34 0.00 0.00 43.02 41.15 1p78 s PHE 79 CO -0.00 0.18 -0.05 -1.12 -1.46 0.00 0.00 175.22 172.77 1p78 s SER 80 N -1.00 3.08 0.20 6.13 0.01 0.13 -4.98 113.70 117.28 1p78 s SER 80 Ca 0.13 -0.80 -0.31 0.00 1.31 0.00 0.00 55.95 56.28 1p78 s SER 80 Cb -0.10 -0.96 -0.09 0.00 0.21 0.00 0.00 66.02 65.07 1p78 s SER 80 CO 0.02 -0.20 1.44 0.00 0.41 0.00 0.00 173.24 174.91 1p78 s ALA 81 N 1.59 3.64 0.87 1.44 0.00 -1.26 -1.02 121.76 127.02 1p78 s ALA 81 Ca -0.01 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 1p78 s ALA 81 Cb -0.16 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.51 1p78 s ALA 81 CO -0.07 -0.70 1.13 0.20 0.00 0.00 0.00 175.76 176.32 1p78 s GLY 82 N 0.68 1.59 0.17 0.00 0.00 0.65 -4.79 107.32 105.62 1p78 s GLY 82 Ca 0.62 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.74 1p78 s GLY 82 CO 0.37 0.05 1.80 1.70 0.00 0.00 0.00 173.10 177.01 1p78 h LYS 83 N -1.33 0.51 -0.66 2.90 3.64 -1.87 -2.06 116.57 117.70 1p78 h LYS 83 Ca -0.49 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1p78 h LYS 83 Cb 1.32 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1p78 h LYS 83 CO 0.62 0.34 0.39 1.25 -2.27 0.00 0.00 179.45 179.78 1p78 h LEU 84 N 0.53 0.60 0.09 5.20 5.85 -1.91 -1.69 115.31 123.98 1p78 h LEU 84 Ca 0.21 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1p78 h LEU 84 Cb 0.08 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1p78 h LEU 84 CO -0.12 0.40 -0.04 0.15 -0.34 0.00 0.00 178.44 178.49 1p78 h PHE 85 N 0.73 -0.11 -0.97 1.25 3.04 -0.94 -2.06 116.94 117.89 1p78 h PHE 85 Ca 0.29 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.33 1p78 h PHE 85 Cb 0.12 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 1p78 h PHE 85 CO -0.07 0.02 0.62 0.00 -2.02 0.00 0.00 178.31 176.87 1p78 h ARG 86 N -0.23 0.97 0.00 1.11 3.08 -1.21 -2.29 114.38 115.81 1p78 h ARG 86 Ca -0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1p78 h ARG 86 Cb 0.19 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1p78 h ARG 86 CO 0.02 0.64 -0.10 0.93 -1.07 0.00 0.00 179.97 180.39 1p78 h GLU 87 N 1.00 0.00 0.00 0.04 5.08 -1.15 0.41 114.58 119.96 1p78 h GLU 87 Ca 0.45 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.61 1p78 h GLU 87 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1p78 h GLU 87 CO -0.21 0.10 -0.98 0.87 -1.00 0.00 0.00 179.01 177.79 1p78 h LYS 88 N 0.00 0.01 0.07 2.33 1.79 -0.97 -1.71 116.57 118.08 1p78 h LYS 88 Ca -0.00 -0.01 -0.28 0.00 -2.18 0.00 0.00 60.65 58.18 1p78 h LYS 88 Cb 1.07 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.74 1p78 h LYS 88 CO 0.01 0.98 -1.15 0.28 -1.08 0.00 0.00 179.45 178.49 1p78 h VAL 89 N 0.00 1.30 -2.76 0.50 2.07 -1.18 -3.39 116.25 112.78 1p78 h VAL 89 Ca -0.01 -2.41 -0.60 0.00 0.82 0.00 0.00 66.70 64.50 1p78 h VAL 89 Cb 1.72 2.57 -0.40 0.00 -1.52 0.00 0.00 31.29 33.67 1p78 h VAL 89 CO 0.13 0.74 -0.80 0.00 0.02 0.00 0.00 177.57 177.65 1p78 s ALA 90 N -3.12 1.77 -0.10 1.67 0.00 0.11 -5.11 121.76 116.99 1p78 s ALA 90 Ca -0.09 -2.44 -0.37 0.00 0.00 0.00 0.00 51.96 49.06 1p78 s ALA 90 Cb 0.06 -1.77 -0.14 0.00 0.00 0.00 0.00 23.12 21.27 1p78 s ALA 90 CO 0.92 -2.06 1.72 -2.30 0.00 0.00 0.00 175.76 174.04 1p78 n PRO 91 N 3.45 1.67 0.00 0.00 -0.02 -0.64 -4.39 135.00 135.07 1p78 n PRO 91 Ca 0.14 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.28 1p78 n PRO 91 Cb 0.38 -2.36 0.27 0.00 -0.02 0.00 0.00 33.50 31.77 1p78 n PRO 91 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18