#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1st7 h SER 2 N 0.00 0.00 0.18 4.52 0.02 -1.93 -2.96 113.55 113.37 1st7 h SER 2 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1st7 h SER 2 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1st7 h SER 2 CO 0.00 0.00 -0.60 -0.61 -1.14 0.00 0.00 176.83 174.48 1st7 h GLN 3 N 0.00 0.43 -0.29 3.45 4.15 -2.00 -2.89 115.11 117.96 1st7 h GLN 3 Ca 0.00 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 1st7 h GLN 3 Cb 0.53 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1st7 h GLN 3 CO 0.00 0.90 0.12 1.25 -1.93 0.00 0.00 178.83 179.18 1st7 h LEU 4 N 0.32 0.39 -0.67 -2.39 5.85 -1.95 -2.46 115.31 114.41 1st7 h LEU 4 Ca -0.01 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.71 1st7 h LEU 4 Cb 1.14 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 41.95 1st7 h LEU 4 CO 0.11 0.44 -0.01 0.15 -0.34 0.00 0.00 178.44 178.78 1st7 h PHE 5 N 0.32 -0.07 0.01 1.25 3.04 -1.43 -0.71 116.94 119.36 1st7 h PHE 5 Ca 0.10 0.05 -0.25 0.00 3.98 0.00 0.00 57.97 61.84 1st7 h PHE 5 Cb 0.16 0.14 0.01 0.00 2.56 0.00 0.00 35.95 38.82 1st7 h PHE 5 CO -0.01 -0.20 -1.03 0.93 -2.02 0.00 0.00 178.31 175.98 1st7 h GLU 6 N 0.10 0.58 -0.23 1.11 5.08 -1.41 0.60 114.58 120.41 1st7 h GLU 6 Ca 0.35 -0.64 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1st7 h GLU 6 Cb 0.59 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 1st7 h GLU 6 CO -0.59 1.25 -0.14 1.49 -1.00 0.00 0.00 179.01 180.01 1st7 h GLU 7 N 0.32 -0.13 0.00 2.33 4.81 -0.93 -3.00 114.58 117.98 1st7 h GLU 7 Ca -0.12 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 1st7 h GLU 7 Cb 1.68 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.06 1st7 h GLU 7 CO 0.19 -0.09 -1.08 0.87 -0.73 0.00 0.00 179.01 178.18 1st7 h LYS 8 N -0.13 0.00 -0.24 1.92 1.79 -1.16 -3.29 116.57 115.46 1st7 h LYS 8 Ca 0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1st7 h LYS 8 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1st7 h LYS 8 CO -0.31 0.36 0.11 0.00 -1.08 0.00 0.00 179.45 178.53 1st7 h ALA 9 N 1.47 0.31 0.00 3.86 0.00 -0.83 -1.16 119.26 122.91 1st7 h ALA 9 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1st7 h ALA 9 Cb 1.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1st7 h ALA 9 CO 0.05 -0.11 0.00 0.87 0.00 0.00 0.00 179.25 180.06 1st7 h LYS 10 N 0.25 0.00 0.24 0.00 1.57 -1.69 -1.81 116.57 115.13 1st7 h LYS 10 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1st7 h LYS 10 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1st7 h LYS 10 CO -0.01 0.00 -0.12 0.00 -0.57 0.00 0.00 179.45 178.76 1st7 h ALA 11 N 2.01 -0.32 0.00 3.86 0.00 -1.46 -3.36 119.26 119.99 1st7 h ALA 11 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1st7 h ALA 11 Cb 0.24 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1st7 h ALA 11 CO 0.00 -0.31 -0.14 -0.39 0.00 0.00 0.00 179.25 178.41 1st7 h VAL 12 N -1.06 0.96 0.00 0.00 -1.51 -0.96 -0.10 116.25 113.57 1st7 h VAL 12 Ca -0.03 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1st7 h VAL 12 Cb 0.32 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1st7 h VAL 12 CO 0.05 0.14 0.00 0.78 -1.23 0.00 0.00 177.57 177.31 1st7 h ASN 13 N 0.00 0.00 -0.04 4.19 2.35 -1.51 -3.25 115.58 117.32 1st7 h ASN 13 Ca -0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1st7 h ASN 13 Cb 0.27 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 38.34 1st7 h ASN 13 CO 0.02 0.00 -0.91 1.21 -1.65 0.00 0.00 177.43 176.10 1st7 n GLU 14 N -3.04 0.56 -1.57 0.81 4.07 -0.18 -4.88 120.64 116.41 1st7 n GLU 14 Ca 0.01 -2.45 -0.33 0.00 -0.06 0.00 0.00 57.16 54.33 1st7 n GLU 14 Cb 0.30 -0.54 0.07 0.00 -0.06 0.00 0.00 31.44 31.21 1st7 n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1st7 s LEU 15 N -1.09 3.29 0.46 4.31 1.43 -0.45 -4.93 118.68 121.69 1st7 s LEU 15 Ca 0.35 2.04 0.26 0.00 -1.03 0.00 0.00 54.13 55.75 1st7 s LEU 15 Cb 0.38 -4.55 0.70 0.00 0.03 0.00 0.00 46.19 42.75 1st7 s LEU 15 CO -0.13 -1.87 1.74 1.55 0.23 0.00 0.00 176.35 177.86 1st7 h PRO 16 N -0.30 0.00 -3.02 1.29 0.13 -1.85 -3.16 132.00 125.08 1st7 h PRO 16 Ca -0.46 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.96 1st7 h PRO 16 Cb 1.25 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.03 1st7 h PRO 16 CO 0.52 0.00 0.02 2.41 -0.23 0.00 0.00 178.00 180.72 1st7 n THR 17 N -3.02 3.44 -1.02 1.56 -1.04 -1.24 -5.06 114.28 107.90 1st7 n THR 17 Ca 0.03 -5.32 -0.34 0.00 -2.04 0.00 0.00 64.05 56.38 1st7 n THR 17 Cb 0.45 -2.27 0.12 0.00 -1.82 0.00 0.00 70.33 66.80 1st7 n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1st7 n LYS 18 N 1.83 0.03 -1.70 -2.82 5.02 -1.20 -4.55 118.16 114.77 1st7 n LYS 18 Ca 0.24 0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 56.17 1st7 n LYS 18 Cb 0.37 -2.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.24 1st7 n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1st7 n PRO 19 N -2.30 2.25 -2.72 1.97 -0.02 -1.26 -4.95 135.00 127.97 1st7 n PRO 19 Ca 0.11 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.98 1st7 n PRO 19 Cb 0.51 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1st7 n PRO 19 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1st7 s SER 20 N 0.14 7.59 0.26 2.55 0.01 -1.26 -4.82 113.70 118.17 1st7 s SER 20 Ca 0.63 1.95 -0.06 0.00 1.31 0.00 0.00 55.95 59.78 1st7 s SER 20 Cb -0.58 -2.61 0.48 0.00 0.21 0.00 0.00 66.02 63.53 1st7 s SER 20 CO 0.54 0.09 1.61 0.74 0.41 0.00 0.00 173.24 176.63 1st7 h THR 21 N 3.30 0.23 0.00 1.44 2.02 -1.99 0.24 112.91 118.16 1st7 h THR 21 Ca -0.45 -0.02 -0.18 0.00 0.77 0.00 0.00 66.41 66.54 1st7 h THR 21 Cb 1.20 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1st7 h THR 21 CO 0.69 0.01 -1.01 0.44 0.37 0.00 0.00 175.52 176.01 1st7 h ASP 22 N 0.06 0.00 0.44 4.18 3.32 -2.02 -3.33 116.42 119.06 1st7 h ASP 22 Ca 0.45 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.27 1st7 h ASP 22 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1st7 h ASP 22 CO -0.77 0.74 -0.99 -0.33 -1.72 0.00 0.00 179.24 176.18 1st7 h GLU 23 N 0.00 0.34 -0.91 3.56 4.39 -1.52 -3.20 114.58 117.25 1st7 h GLU 23 Ca -0.08 -0.40 0.20 0.00 0.34 0.00 0.00 59.36 59.42 1st7 h GLU 23 Cb 1.63 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 30.34 1st7 h GLU 23 CO 0.08 1.10 0.60 1.25 -1.16 0.00 0.00 179.01 180.88 1st7 h LEU 24 N 0.18 0.44 -0.21 1.33 6.46 -0.70 -0.96 115.31 121.84 1st7 h LEU 24 Ca -0.08 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1st7 h LEU 24 Cb 1.64 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.52 1st7 h LEU 24 CO 0.17 0.18 0.07 -0.07 -0.62 0.00 0.00 178.44 178.16 1st7 h LEU 25 N 0.44 0.31 -0.36 2.25 3.38 -1.67 0.32 115.31 119.98 1st7 h LEU 25 Ca 0.48 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1st7 h LEU 25 Cb 1.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1st7 h LEU 25 CO -0.19 0.43 0.11 -0.33 0.09 0.00 0.00 178.44 178.55 1st7 h GLU 26 N 0.18 0.57 -0.49 1.13 5.08 -1.55 -2.74 114.58 116.75 1st7 h GLU 26 Ca 0.07 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1st7 h GLU 26 Cb 0.23 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1st7 h GLU 26 CO -0.00 0.59 0.32 1.25 -1.00 0.00 0.00 179.01 180.17 1st7 h LEU 27 N 0.44 0.55 -0.27 1.33 7.12 -1.09 -2.59 115.31 120.80 1st7 h LEU 27 Ca 0.12 -0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.17 1st7 h LEU 27 Cb 0.27 -0.13 -0.08 0.00 -0.53 0.00 0.00 40.66 40.18 1st7 h LEU 27 CO -0.00 0.40 -0.42 0.22 -0.13 0.00 0.00 178.44 178.50 1st7 h TYR 28 N 0.65 -1.23 -0.54 1.25 5.03 -0.37 -1.32 116.97 120.46 1st7 h TYR 28 Ca 0.18 0.06 0.11 0.00 2.58 0.00 0.00 58.73 61.66 1st7 h TYR 28 Cb -0.06 0.57 -0.09 0.00 1.55 0.00 0.00 36.73 38.70 1st7 h TYR 28 CO -0.04 -0.46 0.02 0.00 -1.32 0.00 0.00 178.16 176.36 1st7 h ALA 29 N 0.27 0.54 0.07 1.82 0.00 -1.15 0.24 119.26 121.05 1st7 h ALA 29 Ca 0.10 0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.88 1st7 h ALA 29 Cb 0.60 0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.67 1st7 h ALA 29 CO -0.48 -0.37 -1.16 -0.07 0.00 0.00 0.00 179.25 177.16 1st7 h LEU 30 N 0.14 0.86 0.53 0.00 -0.00 -1.47 -1.64 115.31 113.73 1st7 h LEU 30 Ca 0.28 -0.75 -0.02 0.00 -0.00 0.00 0.00 57.88 57.39 1st7 h LEU 30 Cb 0.42 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1st7 h LEU 30 CO -0.44 1.56 -0.34 0.22 -0.00 0.00 0.00 178.44 179.44 1st7 h TYR 31 N 0.31 -0.90 -0.59 1.13 3.20 -0.86 -2.52 116.97 116.74 1st7 h TYR 31 Ca -0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1st7 h TYR 31 Cb 1.83 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 40.39 1st7 h TYR 31 CO 0.11 -0.51 0.37 0.87 -1.64 0.00 0.00 178.16 177.35 1st7 h LYS 32 N -0.83 0.78 0.04 1.82 1.79 -0.64 -0.54 116.57 118.99 1st7 h LYS 32 Ca -0.06 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1st7 h LYS 32 Cb 0.68 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 1st7 h LYS 32 CO 0.05 0.53 -0.42 1.96 -1.08 0.00 0.00 179.45 180.50 1st7 h GLN 33 N 0.80 -0.53 -0.00 3.15 4.20 -0.99 -1.92 115.11 119.82 1st7 h GLN 33 Ca 0.21 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1st7 h GLN 33 Cb -0.06 0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1st7 h GLN 33 CO -0.04 -0.36 -0.45 0.00 -0.67 0.00 0.00 178.83 177.31 1st7 n ALA 34 N -2.85 3.43 0.11 3.87 0.00 -0.98 -0.81 120.51 123.28 1st7 n ALA 34 Ca -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 1st7 n ALA 34 Cb 0.32 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 1st7 n ALA 34 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1st7 h THR 35 N 0.02 0.00 0.04 0.00 2.02 -0.95 -3.38 112.91 110.66 1st7 h THR 35 Ca 0.00 -0.01 -0.29 0.00 0.77 0.00 0.00 66.41 66.87 1st7 h THR 35 Cb 0.50 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1st7 h THR 35 CO 0.00 0.00 -1.63 -0.37 0.37 0.00 0.00 175.52 173.89 1st7 h VAL 36 N -0.29 0.98 0.00 3.16 -1.51 -1.47 -3.49 116.25 113.62 1st7 h VAL 36 Ca -0.03 -2.76 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 1st7 h VAL 36 Cb 0.22 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1st7 h VAL 36 CO 0.05 0.67 0.00 0.61 -1.23 0.00 0.00 177.57 177.67 1st7 n GLY 37 N 1.62 2.59 3.67 5.19 0.00 0.01 -5.05 105.19 113.21 1st7 n GLY 37 Ca -0.17 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 1st7 n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1st7 s ASP 38 N -0.08 4.05 -0.93 1.61 1.01 -1.26 -4.54 116.67 116.53 1st7 s ASP 38 Ca 0.00 -1.34 -0.25 0.00 0.71 0.00 0.00 52.55 51.67 1st7 s ASP 38 Cb 0.00 -0.28 -0.09 0.00 1.01 0.00 0.00 42.92 43.55 1st7 s ASP 38 CO 0.00 -0.54 2.08 0.54 0.21 0.00 0.00 175.17 177.47 1st7 s ASN 39 N -3.79 4.64 -0.11 0.27 4.22 -0.85 -4.81 114.94 114.51 1st7 s ASN 39 Ca 0.33 -0.66 -0.03 0.00 -2.14 0.00 0.00 52.86 50.36 1st7 s ASN 39 Cb 0.07 -2.56 -0.02 0.00 1.28 0.00 0.00 41.25 40.01 1st7 s ASN 39 CO 0.17 -3.27 0.06 -0.78 -2.04 0.00 0.00 177.10 171.23 1st7 h ASP 40 N 11.45 0.00 -1.77 3.54 3.58 -1.95 -3.41 116.42 127.87 1st7 h ASP 40 Ca 0.08 -0.09 -0.70 0.00 0.42 0.00 0.00 57.03 56.75 1st7 h ASP 40 Cb 0.99 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.90 1st7 h ASP 40 CO 1.14 0.56 1.47 -0.54 -2.88 0.00 0.00 179.24 179.00 1st7 s LYS 41 N -1.65 3.90 0.00 0.28 3.01 -1.26 -4.85 119.74 119.17 1st7 s LYS 41 Ca -0.03 -2.08 -0.01 0.00 -1.01 0.00 0.00 55.97 52.84 1st7 s LYS 41 Cb -0.00 -5.19 -0.05 0.00 -1.01 0.00 0.00 37.83 31.59 1st7 s LYS 41 CO 0.08 -1.94 1.57 -1.91 0.51 0.00 0.00 175.35 173.65 1st7 n GLU 42 N 6.92 0.79 -2.98 1.68 2.13 -1.26 -3.90 120.64 124.01 1st7 n GLU 42 Ca 0.37 -0.17 -0.02 0.00 0.66 0.00 0.00 57.16 58.00 1st7 n GLU 42 Cb 0.46 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.81 1st7 n GLU 42 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1st7 s LYS 43 N 1.02 0.95 0.89 5.31 2.20 -1.26 -5.13 119.74 123.72 1st7 s LYS 43 Ca 0.11 -0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 54.93 1st7 s LYS 43 Cb 0.05 0.02 0.12 0.00 -1.51 0.00 0.00 37.83 36.52 1st7 s LYS 43 CO 0.00 -1.26 1.10 -1.25 -0.36 0.00 0.00 175.35 173.58 1st7 s PRO 44 N 1.35 1.32 0.00 4.03 0.04 -1.25 -5.08 135.00 135.41 1st7 s PRO 44 Ca 0.23 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1st7 s PRO 44 Cb -0.02 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1st7 s PRO 44 CO -0.06 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1st7 n GLY 45 N -1.37 -1.19 0.12 0.56 0.00 -1.26 -5.01 105.19 97.04 1st7 n GLY 45 Ca 0.07 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 1st7 n GLY 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1st7 n ILE 46 N -0.71 1.52 0.90 -0.61 -5.35 -1.26 -4.16 119.36 109.70 1st7 n ILE 46 Ca 0.00 -0.16 0.09 0.00 -0.27 0.00 0.00 62.75 62.41 1st7 n ILE 46 Cb 0.00 -2.08 0.26 0.00 -1.74 0.00 0.00 39.64 36.08 1st7 n ILE 46 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1st7 n PHE 47 N -4.35 0.40 -2.02 4.28 1.16 -1.26 -4.82 117.46 110.85 1st7 n PHE 47 Ca -0.37 -0.20 -0.42 0.00 -1.87 0.00 0.00 57.45 54.59 1st7 n PHE 47 Cb 0.72 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.59 1st7 n PHE 47 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1st7 n ASN 48 N 0.59 4.24 -0.12 5.98 4.13 -1.26 -4.82 115.26 124.00 1st7 n ASN 48 Ca 0.15 -2.87 -0.05 0.00 1.68 0.00 0.00 54.58 53.49 1st7 n ASN 48 Cb 0.35 -1.68 0.03 0.00 -1.54 0.00 0.00 39.78 36.94 1st7 n ASN 48 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 1st7 h MET 49 N 6.48 0.17 -0.29 3.52 2.86 -1.92 -0.31 114.93 125.45 1st7 h MET 49 Ca 0.53 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 58.17 1st7 h MET 49 Cb 0.71 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1st7 h MET 49 CO 1.75 0.11 0.15 0.87 1.06 0.00 0.00 176.91 180.85 1st7 h LYS 50 N 0.17 0.31 -0.44 1.72 1.57 -2.00 -2.64 116.57 115.27 1st7 h LYS 50 Ca 0.19 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1st7 h LYS 50 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1st7 h LYS 50 CO -0.27 0.21 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.26 1st7 h ASP 51 N 0.32 0.78 -0.93 0.86 3.32 -1.86 -1.05 116.42 117.87 1st7 h ASP 51 Ca 0.12 -0.24 0.08 0.00 0.02 0.00 0.00 57.03 57.01 1st7 h ASP 51 Cb 0.02 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 1st7 h ASP 51 CO -0.07 0.92 0.58 0.03 -1.72 0.00 0.00 179.24 178.97 1st7 h ARG 52 N 0.71 0.97 -0.06 3.56 2.47 -0.90 0.67 114.38 121.81 1st7 h ARG 52 Ca 0.12 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.69 1st7 h ARG 52 Cb 0.60 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1st7 h ARG 52 CO 0.04 0.64 -0.31 1.88 0.56 0.00 0.00 179.97 182.78 1st7 h TYR 53 N 1.00 0.44 -0.16 3.04 0.05 -1.17 -2.84 116.97 117.33 1st7 h TYR 53 Ca 0.42 -0.19 0.04 0.00 0.05 0.00 0.00 58.73 59.05 1st7 h TYR 53 Cb 0.28 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1st7 h TYR 53 CO -0.02 0.93 -0.08 0.87 -1.05 0.00 0.00 178.16 178.81 1st7 h LYS 54 N -0.18 -0.07 0.00 4.88 1.57 -1.05 -1.83 116.57 119.89 1st7 h LYS 54 Ca -0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1st7 h LYS 54 Cb 0.97 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1st7 h LYS 54 CO 0.07 -0.04 -0.52 2.35 -0.57 0.00 0.00 179.45 180.73 1st7 h TRP 55 N -0.07 0.00 -0.20 -1.35 7.01 -0.98 -2.50 115.95 117.85 1st7 h TRP 55 Ca 0.09 0.00 -0.19 0.00 2.11 0.00 0.00 58.89 60.91 1st7 h TRP 55 Cb 0.20 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1st7 h TRP 55 CO -0.23 0.52 -0.61 1.49 -2.79 0.00 0.00 178.44 176.82 1st7 h GLU 56 N 0.00 0.70 0.00 2.65 4.81 -1.34 0.59 114.58 121.99 1st7 h GLU 56 Ca -0.01 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 1st7 h GLU 56 Cb 0.96 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1st7 h GLU 56 CO 0.07 1.10 -0.16 0.00 -0.73 0.00 0.00 179.01 179.29 1st7 h ALA 57 N 0.78 1.21 0.09 2.92 0.00 -1.19 -2.50 119.26 120.58 1st7 h ALA 57 Ca -0.01 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1st7 h ALA 57 Cb 1.20 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1st7 h ALA 57 CO 0.12 0.20 -0.77 2.35 0.00 0.00 0.00 179.25 181.16 1st7 h TRP 58 N 0.00 0.33 -0.11 0.00 7.01 -1.14 -3.30 115.95 118.73 1st7 h TRP 58 Ca -0.00 -0.24 0.03 0.00 2.11 0.00 0.00 58.89 60.79 1st7 h TRP 58 Cb 0.47 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1st7 h TRP 58 CO 0.00 1.30 0.16 1.49 -2.79 0.00 0.00 178.44 178.60 1st7 h GLU 59 N -0.58 0.00 -0.92 2.65 4.81 -0.78 -0.65 114.58 119.11 1st7 h GLU 59 Ca -0.16 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.26 1st7 h GLU 59 Cb 1.47 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.74 1st7 h GLU 59 CO 0.06 0.00 0.49 -0.97 -0.73 0.00 0.00 179.01 177.86 1st7 h ASN 60 N 0.00 0.56 -1.01 1.04 -0.73 -1.53 -2.24 115.58 111.67 1st7 h ASN 60 Ca 0.05 0.11 -0.58 0.00 1.87 0.00 0.00 56.30 57.76 1st7 h ASN 60 Cb 0.38 0.03 -0.41 0.00 0.27 0.00 0.00 38.32 38.60 1st7 h ASN 60 CO -0.00 0.16 -0.53 0.18 -0.37 0.00 0.00 177.43 176.87 1st7 n LEU 61 N -4.89 5.29 -0.32 0.34 4.32 -0.26 -4.87 117.00 116.61 1st7 n LEU 61 Ca 0.21 -4.81 0.22 0.00 -0.02 0.00 0.00 56.01 51.61 1st7 n LEU 61 Cb 0.56 -0.47 0.44 0.00 -1.62 0.00 0.00 43.42 42.33 1st7 n LEU 61 CO 0.18 2.06 1.04 0.07 -1.22 0.00 0.00 177.39 179.52 1st7 h LYS 62 N 2.29 0.21 0.00 3.23 2.10 -1.27 -3.33 116.57 119.81 1st7 h LYS 62 Ca 0.39 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.92 1st7 h LYS 62 Cb 1.25 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 1st7 h LYS 62 CO 0.90 0.14 -1.40 0.41 -2.00 0.00 0.00 179.45 177.51 1st7 n GLY 63 N -1.32 -0.10 2.79 0.07 0.00 -1.26 -2.01 105.19 103.36 1st7 n GLY 63 Ca 0.30 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1st7 n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1st7 n LYS 64 N -2.75 3.23 -0.03 1.61 5.02 -1.26 -4.76 118.16 119.22 1st7 n LYS 64 Ca -0.13 -4.59 -0.01 0.00 -2.02 0.00 0.00 58.31 51.56 1st7 n LYS 64 Cb 0.63 -2.38 -0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1st7 n LYS 64 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1st7 h SER 65 N 5.05 0.00 0.79 4.39 0.87 -1.81 -3.38 113.55 119.46 1st7 h SER 65 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1st7 h SER 65 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1st7 h SER 65 CO 1.01 0.32 0.00 0.00 -0.53 0.00 0.00 176.83 177.63 1st7 n GLN 66 N -3.35 0.04 -0.00 2.24 6.02 -1.26 0.21 117.38 121.27 1st7 n GLN 66 Ca -0.02 0.17 -0.02 0.00 -0.01 0.00 0.00 57.00 57.12 1st7 n GLN 66 Cb 0.08 -1.56 -0.11 0.00 1.02 0.00 0.00 30.24 29.67 1st7 n GLN 66 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1st7 n GLU 67 N -1.63 0.64 -0.10 -1.09 0.28 -1.26 -4.41 120.64 113.07 1st7 n GLU 67 Ca 0.05 0.15 -0.24 0.00 -0.16 0.00 0.00 57.16 56.96 1st7 n GLU 67 Cb 0.26 -1.73 -0.11 0.00 1.43 0.00 0.00 31.44 31.29 1st7 n GLU 67 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1st7 n ASP 68 N -2.82 1.93 -0.27 -1.84 9.92 0.52 -4.48 116.55 119.51 1st7 n ASP 68 Ca -0.14 0.33 -0.12 0.00 -0.53 0.00 0.00 54.79 54.33 1st7 n ASP 68 Cb 0.90 -0.87 -0.09 0.00 -0.64 0.00 0.00 41.12 40.41 1st7 n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1st7 h ALA 69 N -0.51 -0.62 -0.96 2.24 0.00 -0.49 0.96 119.26 119.87 1st7 h ALA 69 Ca -0.47 0.07 0.23 0.00 0.00 0.00 0.00 54.91 54.73 1st7 h ALA 69 Cb 1.54 1.22 -0.18 0.00 0.00 0.00 0.00 17.79 20.37 1st7 h ALA 69 CO -0.22 -0.99 -0.11 1.05 0.00 0.00 0.00 179.25 178.98 1st7 h GLU 70 N -0.20 0.01 0.00 0.00 4.11 -1.79 0.36 114.58 117.07 1st7 h GLU 70 Ca 0.13 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.29 1st7 h GLU 70 Cb 0.51 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1st7 h GLU 70 CO -0.76 0.01 -1.55 0.87 0.07 0.00 0.00 179.01 177.65 1st7 h LYS 71 N 0.01 0.00 0.00 1.06 1.57 -1.31 -3.26 116.57 114.64 1st7 h LYS 71 Ca 0.52 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.17 1st7 h LYS 71 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1st7 h LYS 71 CO -0.95 0.55 -0.59 0.93 -0.57 0.00 0.00 179.45 178.82 1st7 h GLU 72 N 0.00 0.00 0.17 3.15 4.39 -0.67 -3.37 114.58 118.25 1st7 h GLU 72 Ca -0.23 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1st7 h GLU 72 Cb 1.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 1st7 h GLU 72 CO 0.08 0.59 -0.08 -0.92 -1.16 0.00 0.00 179.01 177.53 1st7 h TYR 73 N 0.00 -0.21 -0.95 4.33 3.20 -0.97 -3.12 116.97 119.25 1st7 h TYR 73 Ca -0.01 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.05 1st7 h TYR 73 Cb 1.05 0.07 -0.18 0.00 1.54 0.00 0.00 36.73 39.21 1st7 h TYR 73 CO 0.00 0.21 -0.24 1.51 -1.64 0.00 0.00 178.16 178.00 1st7 n ILE 74 N -4.96 -0.40 0.01 1.81 0.00 -1.23 -0.83 119.36 113.75 1st7 n ILE 74 Ca -0.08 2.18 -0.11 0.00 0.00 0.00 0.00 62.75 64.73 1st7 n ILE 74 Cb 0.26 -3.01 0.02 0.00 0.00 0.00 0.00 39.64 36.92 1st7 n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1st7 h ALA 75 N 1.88 0.59 -0.02 1.51 0.00 -1.73 -0.79 119.26 120.70 1st7 h ALA 75 Ca 0.45 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1st7 h ALA 75 Cb 0.69 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1st7 h ALA 75 CO -0.98 0.71 -0.37 1.37 0.00 0.00 0.00 179.25 179.99 1st7 h LEU 76 N 0.41 0.36 -1.77 0.00 8.10 -1.33 -3.27 115.31 117.80 1st7 h LEU 76 Ca -0.01 -0.74 -0.02 0.00 0.11 0.00 0.00 57.88 57.22 1st7 h LEU 76 Cb 1.22 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 41.33 1st7 h LEU 76 CO 0.12 1.04 -0.11 0.58 -4.11 0.00 0.00 178.44 175.97 1st7 h VAL 77 N -0.29 1.08 -0.80 0.15 2.07 -1.01 -0.55 116.25 116.89 1st7 h VAL 77 Ca -0.04 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1st7 h VAL 77 Cb 1.08 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1st7 h VAL 77 CO 0.07 0.11 0.51 0.44 0.02 0.00 0.00 177.57 178.73 1st7 h ASP 78 N 0.01 0.85 0.91 0.57 3.32 -1.20 0.19 116.42 121.07 1st7 h ASP 78 Ca 0.00 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1st7 h ASP 78 Cb 0.19 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1st7 h ASP 78 CO 0.01 0.59 -0.58 1.56 -1.72 0.00 0.00 179.24 179.11 1st7 h GLN 79 N 1.00 0.00 0.13 3.56 1.08 -1.22 -2.62 115.11 117.05 1st7 h GLN 79 Ca 0.32 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 1st7 h GLN 79 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1st7 h GLN 79 CO -0.11 0.58 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.21 1st7 h LEU 80 N 0.00 -0.15 -1.35 1.46 3.38 -0.57 -3.23 115.31 114.85 1st7 h LEU 80 Ca -0.01 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1st7 h LEU 80 Cb 1.19 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1st7 h LEU 80 CO 0.08 0.27 -0.14 0.40 0.09 0.00 0.00 178.44 179.13 1st7 h ILE 81 N -0.61 1.19 -0.49 1.22 2.04 -0.65 0.33 117.51 120.53 1st7 h ILE 81 Ca -0.02 -0.84 0.09 0.00 1.00 0.00 0.00 64.86 65.09 1st7 h ILE 81 Cb 0.47 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1st7 h ILE 81 CO 0.03 0.26 0.33 0.00 0.00 0.00 0.00 178.15 178.78 1st7 h ALA 82 N 1.61 2.09 0.15 1.87 0.00 -1.53 0.21 119.26 123.65 1st7 h ALA 82 Ca 0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 1st7 h ALA 82 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1st7 h ALA 82 CO 0.02 -0.20 -1.82 -0.22 0.00 0.00 0.00 179.25 177.04 1st7 h LYS 83 N 0.28 0.31 -0.01 0.00 3.64 -1.27 -3.42 116.57 116.10 1st7 h LYS 83 Ca 0.22 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1st7 h LYS 83 Cb 0.52 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1st7 h LYS 83 CO -0.05 1.21 -0.57 0.66 -2.27 0.00 0.00 179.45 178.43 1st7 n TYR 84 N -3.50 0.00 0.25 1.91 4.01 0.10 -4.02 117.16 115.91 1st7 n TYR 84 Ca -0.26 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.31 1st7 n TYR 84 Cb 1.06 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.91 1st7 n TYR 84 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1st7 h SER 85 N 0.97 -1.39 0.00 7.72 0.87 -0.83 -3.29 113.55 117.60 1st7 h SER 85 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1st7 h SER 85 Cb 0.57 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1st7 h SER 85 CO 0.00 -0.63 0.00 -1.20 -0.53 0.00 0.00 176.83 174.47