#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 0.10 -1.34 0.02 -1.98 -1.12 113.55 109.22 1st7 h SER 2 Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 1st7 h SER 2 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1st7 h SER 2 CO 0.00 0.23 -1.28 1.56 -1.14 0.00 0.00 176.83 176.20 1st7 h GLN 3 N 0.00 0.21 -0.66 3.45 7.50 -2.01 -3.36 115.11 120.24 1st7 h GLN 3 Ca -0.00 -0.36 0.12 0.00 0.50 0.00 0.00 58.65 58.90 1st7 h GLN 3 Cb 0.94 0.14 -0.09 0.00 0.05 0.00 0.00 27.48 28.52 1st7 h GLN 3 CO 0.03 1.17 0.21 1.25 -1.50 0.00 0.00 178.83 179.99 1st7 h LEU 4 N -0.40 0.14 -0.85 1.46 5.85 -1.95 -1.37 115.31 118.18 1st7 h LEU 4 Ca -0.28 0.10 0.18 0.00 0.84 0.00 0.00 57.88 58.73 1st7 h LEU 4 Cb 1.67 0.11 -0.16 0.00 0.37 0.00 0.00 40.66 42.66 1st7 h LEU 4 CO 0.04 0.07 -0.15 0.15 -0.34 0.00 0.00 178.44 178.21 1st7 h PHE 5 N 0.35 -0.34 0.24 1.25 3.04 -1.35 -0.22 116.94 119.92 1st7 h PHE 5 Ca 0.35 0.07 -0.33 0.00 3.98 0.00 0.00 57.97 62.04 1st7 h PHE 5 Cb 0.51 0.28 0.04 0.00 2.56 0.00 0.00 35.95 39.33 1st7 h PHE 5 CO -0.20 -0.35 -1.47 0.93 -2.02 0.00 0.00 178.31 175.19 1st7 h GLU 6 N 0.02 0.52 -0.66 1.11 5.08 -1.42 -0.83 114.58 118.40 1st7 h GLU 6 Ca 0.43 -0.88 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 1st7 h GLU 6 Cb 0.71 0.33 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1st7 h GLU 6 CO -0.84 1.42 0.08 0.93 -1.00 0.00 0.00 179.01 179.60 1st7 h GLU 7 N 0.14 1.11 0.00 2.33 5.08 -0.88 -1.75 114.58 120.61 1st7 h GLU 7 Ca -0.25 -0.31 -0.18 0.00 -1.00 0.00 0.00 59.36 57.62 1st7 h GLU 7 Cb 2.16 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 1st7 h GLU 7 CO 0.27 1.03 -0.95 0.87 -1.00 0.00 0.00 179.01 179.23 1st7 h LYS 8 N 1.03 0.00 -0.37 2.33 1.79 -1.19 -3.14 116.57 117.02 1st7 h LYS 8 Ca 0.20 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1st7 h LYS 8 Cb 0.48 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1st7 h LYS 8 CO 0.02 0.67 0.14 0.00 -1.08 0.00 0.00 179.45 179.20 1st7 h ALA 9 N 1.24 0.49 0.00 3.86 0.00 -0.89 -1.04 119.26 122.91 1st7 h ALA 9 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1st7 h ALA 9 Cb 1.63 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1st7 h ALA 9 CO 0.09 0.10 -0.04 0.87 0.00 0.00 0.00 179.25 180.27 1st7 h LYS 10 N 0.46 0.00 0.37 0.00 1.57 -1.43 -2.09 116.57 115.45 1st7 h LYS 10 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1st7 h LYS 10 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1st7 h LYS 10 CO -0.01 0.04 -0.18 0.00 -0.57 0.00 0.00 179.45 178.74 1st7 h ALA 11 N 1.96 -0.49 -0.11 3.86 0.00 -1.40 -3.33 119.26 119.74 1st7 h ALA 11 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1st7 h ALA 11 Cb 0.10 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1st7 h ALA 11 CO 0.01 -0.47 0.00 -0.39 0.00 0.00 0.00 179.25 178.39 1st7 h VAL 12 N -1.10 1.08 0.00 0.00 -1.51 -0.85 0.11 116.25 113.98 1st7 h VAL 12 Ca -0.05 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1st7 h VAL 12 Cb 0.43 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1st7 h VAL 12 CO 0.08 0.09 -0.06 0.78 -1.23 0.00 0.00 177.57 177.24 1st7 h ASN 13 N 0.16 0.00 0.00 4.19 2.35 -1.55 -3.23 115.58 117.50 1st7 h ASN 13 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1st7 h ASN 13 Cb 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1st7 h ASN 13 CO 0.00 0.06 -0.33 -0.62 -1.65 0.00 0.00 177.43 174.89 1st7 n GLU 14 N -3.18 0.88 -1.65 0.81 1.02 0.17 -4.90 120.64 113.79 1st7 n GLU 14 Ca 0.01 -2.26 -0.32 0.00 -0.02 0.00 0.00 57.16 54.57 1st7 n GLU 14 Cb 0.34 -1.11 0.05 0.00 -0.02 0.00 0.00 31.44 30.71 1st7 n GLU 14 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1st7 s LEU 15 N -1.91 3.27 0.38 -4.62 1.43 0.03 -4.94 118.68 112.32 1st7 s LEU 15 Ca 0.25 1.84 0.21 0.00 -1.03 0.00 0.00 54.13 55.40 1st7 s LEU 15 Cb 0.24 -4.53 0.59 0.00 0.03 0.00 0.00 46.19 42.52 1st7 s LEU 15 CO -0.02 -1.60 1.68 1.55 0.23 0.00 0.00 176.35 178.19 1st7 h PRO 16 N -0.33 0.00 -3.46 1.29 0.13 -1.86 -3.17 132.00 124.60 1st7 h PRO 16 Ca -0.45 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.92 1st7 h PRO 16 Cb 1.23 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.05 1st7 h PRO 16 CO 0.55 0.31 0.17 0.99 -0.23 0.00 0.00 178.00 179.78 1st7 s THR 17 N -3.39 5.19 0.85 1.56 2.01 -1.25 -5.06 115.64 115.55 1st7 s THR 17 Ca 0.02 -3.58 -0.13 0.00 0.31 0.00 0.00 61.69 58.31 1st7 s THR 17 Cb 0.09 -4.16 0.09 0.00 0.01 0.00 0.00 72.50 68.52 1st7 s THR 17 CO 0.68 -1.13 1.05 0.29 -0.69 0.00 0.00 174.62 174.82 1st7 n LYS 18 N 2.59 -0.04 -2.18 4.92 5.02 -1.20 -4.73 118.16 122.55 1st7 n LYS 18 Ca 0.22 0.06 -0.36 0.00 -2.02 0.00 0.00 58.31 56.21 1st7 n LYS 18 Cb 0.38 -2.32 0.01 0.00 -0.02 0.00 0.00 35.03 33.09 1st7 n LYS 18 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1st7 s PRO 19 N -4.11 3.35 0.41 1.97 0.02 -1.26 -4.97 135.00 130.42 1st7 s PRO 19 Ca 0.69 1.73 -0.24 0.00 0.02 0.00 0.00 61.00 63.20 1st7 s PRO 19 Cb -0.27 -2.09 -0.08 0.00 0.02 0.00 0.00 34.50 32.08 1st7 s PRO 19 CO 0.55 -0.88 1.14 0.45 -0.33 0.00 0.00 177.00 177.94 1st7 s SER 20 N -1.60 6.49 0.13 2.53 0.15 -1.26 -4.77 113.70 115.37 1st7 s SER 20 Ca 0.72 2.27 -0.25 0.00 0.70 0.00 0.00 55.95 59.38 1st7 s SER 20 Cb -0.27 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.38 1st7 s SER 20 CO 0.31 -0.69 1.24 0.41 1.20 0.00 0.00 173.24 175.71 1st7 n THR 21 N -0.09 -0.55 0.04 6.45 -1.04 -1.26 -0.21 114.28 117.62 1st7 n THR 21 Ca 0.05 1.95 -0.12 0.00 -2.04 0.00 0.00 64.05 63.89 1st7 n THR 21 Cb 0.48 -2.41 -0.14 0.00 -1.82 0.00 0.00 70.33 66.44 1st7 n THR 21 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1st7 h ASP 22 N 0.00 0.19 -0.25 8.00 3.32 -2.02 -3.31 116.42 122.35 1st7 h ASP 22 Ca 0.13 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 1st7 h ASP 22 Cb 0.33 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1st7 h ASP 22 CO -0.76 1.22 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.44 1st7 h GLU 23 N 0.03 0.71 -0.95 3.56 5.08 -1.74 -1.67 114.58 119.60 1st7 h GLU 23 Ca -0.18 -0.27 0.27 0.00 -1.00 0.00 0.00 59.36 58.17 1st7 h GLU 23 Cb 1.94 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 31.11 1st7 h GLU 23 CO 0.13 0.86 0.67 1.25 -1.00 0.00 0.00 179.01 180.93 1st7 h LEU 24 N 0.63 0.10 -0.41 1.33 6.46 -0.68 -2.10 115.31 120.63 1st7 h LEU 24 Ca 0.09 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.70 1st7 h LEU 24 Cb 0.69 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1st7 h LEU 24 CO 0.05 0.03 -0.47 0.17 -0.62 0.00 0.00 178.44 177.60 1st7 h LEU 25 N 0.09 0.89 -0.26 2.25 8.10 -1.41 0.25 115.31 125.23 1st7 h LEU 25 Ca 0.47 -0.44 -0.03 0.00 0.11 0.00 0.00 57.88 57.98 1st7 h LEU 25 Cb 1.70 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 41.66 1st7 h LEU 25 CO -0.06 1.22 0.03 -0.08 -4.11 0.00 0.00 178.44 175.44 1st7 h GLU 26 N 0.65 0.44 -0.28 0.17 4.57 -1.48 -2.07 114.58 116.58 1st7 h GLU 26 Ca 0.03 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 1st7 h GLU 26 Cb 1.06 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1st7 h GLU 26 CO 0.10 0.57 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.26 1st7 h LEU 27 N 0.24 0.48 0.68 1.64 -0.00 -1.29 -2.53 115.31 114.53 1st7 h LEU 27 Ca 0.08 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1st7 h LEU 27 Cb 0.35 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1st7 h LEU 27 CO 0.01 0.67 -0.49 0.22 -0.00 0.00 0.00 178.44 178.85 1st7 h TYR 28 N 0.45 -1.33 -0.76 1.13 5.03 -0.45 -1.81 116.97 119.23 1st7 h TYR 28 Ca 0.08 -0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.53 1st7 h TYR 28 Cb 0.56 0.49 -0.10 0.00 1.55 0.00 0.00 36.73 39.23 1st7 h TYR 28 CO 0.02 -0.70 0.29 0.00 -1.32 0.00 0.00 178.16 176.45 1st7 h ALA 29 N -1.01 1.08 0.15 1.82 0.00 -1.03 0.22 119.26 120.48 1st7 h ALA 29 Ca -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1st7 h ALA 29 Cb 0.93 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1st7 h ALA 29 CO 0.04 -0.23 -0.07 -0.07 0.00 0.00 0.00 179.25 178.92 1st7 h LEU 30 N 0.42 -0.17 -0.08 0.00 4.07 -1.52 -0.33 115.31 117.70 1st7 h LEU 30 Ca 0.42 -0.26 0.04 0.00 0.08 0.00 0.00 57.88 58.16 1st7 h LEU 30 Cb 0.67 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.41 1st7 h LEU 30 CO -0.42 0.18 -0.17 0.22 -1.08 0.00 0.00 178.44 177.17 1st7 h TYR 31 N -0.55 -0.43 -0.18 1.13 3.20 -0.68 -0.96 116.97 118.50 1st7 h TYR 31 Ca -0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1st7 h TYR 31 Cb 0.42 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1st7 h TYR 31 CO 0.03 -0.24 0.03 0.87 -1.64 0.00 0.00 178.16 177.22 1st7 h LYS 32 N -0.23 0.25 0.73 1.82 1.79 -0.70 -0.43 116.57 119.79 1st7 h LYS 32 Ca 0.08 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1st7 h LYS 32 Cb 0.34 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1st7 h LYS 32 CO -0.21 0.24 -0.35 1.96 -1.08 0.00 0.00 179.45 180.01 1st7 h GLN 33 N 0.25 -0.94 -0.01 3.15 1.08 0.26 -1.96 115.11 116.94 1st7 h GLN 33 Ca 0.06 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1st7 h GLN 33 Cb 0.12 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1st7 h GLN 33 CO -0.00 -0.63 0.00 0.00 -0.95 0.00 0.00 178.83 177.25 1st7 n ALA 34 N -2.60 2.64 0.09 3.87 0.00 -0.72 0.16 120.51 123.95 1st7 n ALA 34 Ca -0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 52.97 1st7 n ALA 34 Cb 0.39 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1st7 n ALA 34 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1st7 h THR 35 N 1.00 0.00 0.06 0.00 1.35 -1.13 -3.43 112.91 110.77 1st7 h THR 35 Ca 0.00 -0.64 -0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1st7 h THR 35 Cb 0.21 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1st7 h THR 35 CO 0.00 0.00 -0.03 0.58 -0.25 0.00 0.00 175.52 175.82 1st7 h VAL 36 N -0.95 0.85 0.00 6.82 2.07 -1.29 -3.48 116.25 120.26 1st7 h VAL 36 Ca -0.03 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1st7 h VAL 36 Cb 0.24 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1st7 h VAL 36 CO 0.05 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.52 1st7 n GLY 37 N 1.34 0.60 3.29 2.17 0.00 0.12 -5.03 105.19 107.69 1st7 n GLY 37 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.98 1.15 -0.17 1.61 1.11 -1.26 -4.57 116.67 111.55 1st7 s ASP 38 Ca 0.00 -1.50 -0.29 0.00 0.18 0.00 0.00 52.55 50.93 1st7 s ASP 38 Cb 0.00 0.36 -0.02 0.00 1.07 0.00 0.00 42.92 44.33 1st7 s ASP 38 CO 0.00 -0.86 1.41 0.54 1.18 0.00 0.00 175.17 177.44 1st7 s ASN 39 N -3.31 6.75 0.00 0.27 4.22 -0.08 -4.73 114.94 118.06 1st7 s ASN 39 Ca 0.37 1.74 0.00 0.00 -2.14 0.00 0.00 52.86 52.83 1st7 s ASN 39 Cb 0.06 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.05 1st7 s ASN 39 CO 0.16 -0.92 0.00 -0.67 -2.04 0.00 0.00 177.10 173.63 1st7 n ASP 40 N 7.16 0.00 -4.47 3.54 2.03 -1.26 -4.79 116.55 118.76 1st7 n ASP 40 Ca 0.16 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 1st7 n ASP 40 Cb 0.45 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.82 1st7 n ASP 40 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1st7 s LYS 41 N -0.00 3.48 0.00 -0.67 1.02 -1.26 -4.89 119.74 117.42 1st7 s LYS 41 Ca 0.00 -1.46 -0.05 0.00 0.02 0.00 0.00 55.97 54.48 1st7 s LYS 41 Cb 0.00 -4.81 -0.23 0.00 -0.52 0.00 0.00 37.83 32.28 1st7 s LYS 41 CO 0.00 -1.84 3.23 -1.91 -0.92 0.00 0.00 175.35 173.92 1st7 n GLU 42 N 7.12 1.75 -3.17 1.68 2.13 -1.26 -3.95 120.64 124.94 1st7 n GLU 42 Ca 0.18 -0.85 0.01 0.00 0.66 0.00 0.00 57.16 57.16 1st7 n GLU 42 Cb 0.48 -1.90 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 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 1.14 0.83 0.73 5.31 2.20 -1.26 -5.15 119.74 123.54 1st7 s LYS 43 Ca 0.57 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.76 1st7 s LYS 43 Cb 0.27 0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.71 1st7 s LYS 43 CO 0.00 -1.18 1.07 -1.25 -0.36 0.00 0.00 175.35 173.63 1st7 s PRO 44 N 1.79 2.66 0.83 4.03 0.04 -1.25 -5.03 135.00 138.06 1st7 s PRO 44 Ca 0.17 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1st7 s PRO 44 Cb -0.04 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.62 1st7 s PRO 44 CO -0.07 -1.26 1.11 0.20 0.04 0.00 0.00 177.00 177.02 1st7 s GLY 45 N -3.87 1.61 -0.01 0.56 0.00 -1.26 -4.92 107.32 99.42 1st7 s GLY 45 Ca 0.59 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.93 1st7 s GLY 45 CO 0.55 0.14 0.79 0.16 0.00 0.00 0.00 173.10 174.74 1st7 h ILE 46 N -1.19 1.07 -0.34 0.90 3.07 -2.03 -2.74 117.51 116.25 1st7 h ILE 46 Ca -0.48 -2.70 -0.11 0.00 1.55 0.00 0.00 64.86 63.12 1st7 h ILE 46 Cb 1.29 2.75 -0.06 0.00 -0.27 0.00 0.00 36.82 40.53 1st7 h ILE 46 CO 0.61 0.82 0.01 2.22 -1.05 0.00 0.00 178.15 180.75 1st7 n PHE 47 N -3.49 1.14 -2.72 0.16 1.16 -1.26 -5.00 117.46 107.45 1st7 n PHE 47 Ca -0.19 -1.24 -0.42 0.00 -1.87 0.00 0.00 57.45 53.73 1st7 n PHE 47 Cb 1.05 -0.43 -0.03 0.00 -1.61 0.00 0.00 39.48 38.46 1st7 n PHE 47 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1st7 s ASN 48 N -2.15 6.25 0.08 5.98 3.84 -1.03 -4.87 114.94 123.04 1st7 s ASN 48 Ca 0.44 -0.95 0.19 0.00 0.21 0.00 0.00 52.86 52.75 1st7 s ASN 48 Cb 0.38 -2.48 0.80 0.00 -0.55 0.00 0.00 41.25 39.39 1st7 s ASN 48 CO 0.05 -1.56 1.60 1.15 -2.79 0.00 0.00 177.10 175.56 1st7 n MET 49 N 8.32 0.06 -0.05 0.43 0.00 -1.26 -2.79 117.12 121.84 1st7 n MET 49 Ca 0.05 0.26 -0.03 0.00 0.00 0.00 0.00 57.70 57.98 1st7 n MET 49 Cb 0.48 -1.61 -0.01 0.00 0.00 0.00 0.00 33.22 32.07 1st7 n MET 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1st7 n LYS 50 N -1.73 0.29 0.20 3.17 4.01 -1.26 -4.70 118.16 118.13 1st7 n LYS 50 Ca 0.04 0.36 0.04 0.00 -0.51 0.00 0.00 58.31 58.24 1st7 n LYS 50 Cb 0.22 -1.28 0.46 0.00 -0.51 0.00 0.00 35.03 33.92 1st7 n LYS 50 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1st7 h ASP 51 N -0.62 0.05 -0.72 4.39 3.32 -1.93 -2.20 116.42 118.70 1st7 h ASP 51 Ca 0.00 -0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.15 1st7 h ASP 51 Cb 0.38 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1st7 h ASP 51 CO 0.00 0.25 0.48 0.03 -1.72 0.00 0.00 179.24 178.28 1st7 h ARG 52 N 0.05 0.52 0.05 3.56 2.47 -1.80 -0.60 114.38 118.63 1st7 h ARG 52 Ca 0.01 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 1st7 h ARG 52 Cb 0.37 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1st7 h ARG 52 CO 0.03 0.35 -0.60 1.88 0.56 0.00 0.00 179.97 182.18 1st7 h TYR 53 N 0.54 0.21 -0.28 3.04 -1.99 -1.68 -3.09 116.97 113.72 1st7 h TYR 53 Ca 0.34 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.95 1st7 h TYR 53 Cb 0.60 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.29 1st7 h TYR 53 CO -0.00 1.23 0.08 0.87 -0.00 0.00 0.00 178.16 180.34 1st7 h LYS 54 N -0.73 0.19 -0.03 4.88 1.79 -1.38 -2.00 116.57 119.29 1st7 h LYS 54 Ca -0.13 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.21 1st7 h LYS 54 Cb 1.33 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1st7 h LYS 54 CO 0.02 0.12 -0.52 2.35 -1.08 0.00 0.00 179.45 180.34 1st7 h TRP 55 N 0.19 0.10 -0.08 -1.35 7.01 -1.27 -2.34 115.95 118.22 1st7 h TRP 55 Ca 0.12 -0.03 -0.18 0.00 2.11 0.00 0.00 58.89 60.91 1st7 h TRP 55 Cb 0.11 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1st7 h TRP 55 CO -0.14 0.59 -0.72 1.49 -2.79 0.00 0.00 178.44 176.86 1st7 h GLU 56 N 0.07 0.40 -0.10 2.65 4.81 -1.40 -0.14 114.58 120.86 1st7 h GLU 56 Ca -0.00 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 1st7 h GLU 56 Cb 0.94 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1st7 h GLU 56 CO 0.07 0.96 -0.34 0.00 -0.73 0.00 0.00 179.01 178.98 1st7 h ALA 57 N 0.95 1.25 -0.38 2.92 0.00 -1.26 -2.64 119.26 120.10 1st7 h ALA 57 Ca -0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1st7 h ALA 57 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1st7 h ALA 57 CO 0.12 0.52 -0.24 2.35 0.00 0.00 0.00 179.25 182.00 1st7 h TRP 58 N 0.17 0.86 0.00 0.00 7.01 -1.10 -2.82 115.95 120.08 1st7 h TRP 58 Ca 0.02 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.81 1st7 h TRP 58 Cb 0.69 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1st7 h TRP 58 CO 0.01 0.92 -0.05 1.49 -2.79 0.00 0.00 178.44 178.02 1st7 h GLU 59 N 0.66 0.00 0.00 2.65 4.81 -0.69 -0.78 114.58 121.23 1st7 h GLU 59 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1st7 h GLU 59 Cb 0.75 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1st7 h GLU 59 CO 0.06 0.05 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.42 1st7 h ASN 60 N 0.00 0.00 -0.03 1.04 -0.26 -1.21 -3.09 115.58 112.04 1st7 h ASN 60 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1st7 h ASN 60 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1st7 h ASN 60 CO 0.01 0.06 -0.05 0.18 -1.06 0.00 0.00 177.43 176.56 1st7 n LEU 61 N -3.16 2.78 -0.07 1.61 4.77 -0.33 -4.94 117.00 117.66 1st7 n LEU 61 Ca 0.01 -0.97 0.09 0.00 -0.03 0.00 0.00 56.01 55.11 1st7 n LEU 61 Cb 0.37 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1st7 n LEU 61 CO 0.30 0.47 0.40 2.29 -1.33 0.00 0.00 177.39 179.52 1st7 n LYS 62 N 1.12 0.00 -0.73 3.23 2.85 -0.99 -1.28 118.16 122.37 1st7 n LYS 62 Ca 0.13 0.33 -0.04 0.00 -1.05 0.00 0.00 58.31 57.68 1st7 n LYS 62 Cb 0.55 -0.82 -0.04 0.00 -0.65 0.00 0.00 35.03 34.08 1st7 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1st7 n GLY 63 N -1.07 0.35 0.89 2.58 0.00 -1.26 -0.90 105.19 105.79 1st7 n GLY 63 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1st7 n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1st7 n LYS 64 N 0.00 0.08 -0.45 1.61 4.81 -0.40 -4.83 118.16 118.97 1st7 n LYS 64 Ca -0.15 0.03 -0.04 0.00 -0.87 0.00 0.00 58.31 57.28 1st7 n LYS 64 Cb 0.52 -0.63 0.02 0.00 0.02 0.00 0.00 35.03 34.95 1st7 n LYS 64 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1st7 n SER 65 N -3.30 4.69 0.14 3.14 7.64 -1.14 -3.18 113.62 121.62 1st7 n SER 65 Ca -0.06 -2.46 -0.00 0.00 1.01 0.00 0.00 58.87 57.35 1st7 n SER 65 Cb 0.42 -0.89 0.16 0.00 -1.01 0.00 0.00 64.21 62.89 1st7 n SER 65 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1st7 h GLN 66 N 0.76 0.00 -0.32 1.43 4.15 -1.85 0.29 115.11 119.56 1st7 h GLN 66 Ca 0.09 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 1st7 h GLN 66 Cb 1.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1st7 h GLN 66 CO 0.21 0.61 -0.15 0.93 -1.93 0.00 0.00 178.83 178.50 1st7 h GLU 67 N 0.00 0.67 0.25 1.69 5.08 -1.95 -2.99 114.58 117.33 1st7 h GLU 67 Ca -0.01 -0.29 -0.34 0.00 -1.00 0.00 0.00 59.36 57.73 1st7 h GLU 67 Cb 1.16 -0.02 0.04 0.00 0.50 0.00 0.00 28.75 30.42 1st7 h GLU 67 CO 0.08 0.88 -1.50 -0.44 -1.00 0.00 0.00 179.01 177.03 1st7 h ASP 68 N 0.44 0.82 -0.60 1.42 3.32 -1.80 -3.37 116.42 116.66 1st7 h ASP 68 Ca 0.07 -0.90 0.06 0.00 0.02 0.00 0.00 57.03 56.29 1st7 h ASP 68 Cb 0.67 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.87 1st7 h ASP 68 CO 0.05 1.70 -0.47 0.00 -1.72 0.00 0.00 179.24 178.80 1st7 h ALA 69 N 0.17 -0.56 -0.74 3.45 0.00 -0.44 0.61 119.26 121.75 1st7 h ALA 69 Ca -0.26 0.05 0.17 0.00 0.00 0.00 0.00 54.91 54.87 1st7 h ALA 69 Cb 2.16 1.19 -0.13 0.00 0.00 0.00 0.00 17.79 21.02 1st7 h ALA 69 CO 0.27 -0.84 -0.01 1.05 0.00 0.00 0.00 179.25 179.71 1st7 h GLU 70 N -0.14 0.09 0.00 0.00 4.11 -1.70 -0.63 114.58 116.31 1st7 h GLU 70 Ca 0.10 -0.01 -0.26 0.00 0.07 0.00 0.00 59.36 59.27 1st7 h GLU 70 Cb 0.40 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1st7 h GLU 70 CO -0.64 0.06 -1.52 0.87 0.07 0.00 0.00 179.01 177.85 1st7 h LYS 71 N 0.09 0.00 0.00 1.06 1.57 -1.58 -3.32 116.57 114.39 1st7 h LYS 71 Ca 0.40 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.12 1st7 h LYS 71 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1st7 h LYS 71 CO -0.67 0.55 -1.15 0.93 -0.57 0.00 0.00 179.45 178.55 1st7 h GLU 72 N 0.00 0.00 -0.08 3.15 4.39 -0.85 -3.39 114.58 117.79 1st7 h GLU 72 Ca -0.22 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1st7 h GLU 72 Cb 1.90 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.55 1st7 h GLU 72 CO 0.08 0.12 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.10 1st7 h TYR 73 N 0.00 0.19 -0.95 4.33 3.20 -1.22 -2.53 116.97 119.98 1st7 h TYR 73 Ca -0.06 -0.04 0.17 0.00 3.14 0.00 0.00 58.73 61.94 1st7 h TYR 73 Cb 1.23 -0.05 -0.17 0.00 1.54 0.00 0.00 36.73 39.29 1st7 h TYR 73 CO 0.00 0.50 -0.30 1.51 -1.64 0.00 0.00 178.16 178.23 1st7 n ILE 74 N -4.78 -0.45 0.08 1.81 3.06 -1.25 -0.66 119.36 117.18 1st7 n ILE 74 Ca -0.07 2.21 -0.03 0.00 -2.50 0.00 0.00 62.75 62.36 1st7 n ILE 74 Cb 0.24 -3.00 0.19 0.00 0.54 0.00 0.00 39.64 37.62 1st7 n ILE 74 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1st7 h ALA 75 N 1.64 1.04 -0.01 1.51 0.00 -1.71 -1.51 119.26 120.22 1st7 h ALA 75 Ca 0.40 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1st7 h ALA 75 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1st7 h ALA 75 CO -0.97 0.62 0.00 -0.07 0.00 0.00 0.00 179.25 178.83 1st7 h LEU 76 N 0.23 0.01 -1.15 0.00 3.38 -0.88 -3.21 115.31 113.69 1st7 h LEU 76 Ca 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1st7 h LEU 76 Cb 0.87 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1st7 h LEU 76 CO 0.07 0.27 -0.08 0.58 0.09 0.00 0.00 178.44 179.36 1st7 h VAL 77 N -0.24 0.20 -0.54 1.22 2.07 -0.72 0.13 116.25 118.37 1st7 h VAL 77 Ca 0.00 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1st7 h VAL 77 Cb 0.26 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1st7 h VAL 77 CO 0.00 0.08 0.25 0.44 0.02 0.00 0.00 177.57 178.36 1st7 h ASP 78 N 0.00 0.72 0.93 0.57 3.32 -1.33 0.70 116.42 121.33 1st7 h ASP 78 Ca -0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1st7 h ASP 78 Cb 0.66 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1st7 h ASP 78 CO 0.01 0.66 0.00 1.56 -1.72 0.00 0.00 179.24 179.75 1st7 h GLN 79 N 0.73 0.00 0.00 3.56 4.20 -1.02 -2.40 115.11 120.19 1st7 h GLN 79 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1st7 h GLN 79 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1st7 h GLN 79 CO -0.02 0.00 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.02 1st7 h LEU 80 N 0.00 0.00 -1.43 1.46 4.07 -1.07 -3.40 115.31 114.94 1st7 h LEU 80 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1st7 h LEU 80 Cb 0.47 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1st7 h LEU 80 CO 0.00 0.26 -0.29 0.40 -1.08 0.00 0.00 178.44 177.74 1st7 h ILE 81 N -0.48 1.17 -0.98 1.22 2.04 -0.84 0.10 117.51 119.75 1st7 h ILE 81 Ca 0.00 -0.99 0.20 0.00 1.00 0.00 0.00 64.86 65.07 1st7 h ILE 81 Cb 0.05 1.54 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 1st7 h ILE 81 CO 0.00 0.28 0.62 0.00 0.00 0.00 0.00 178.15 179.05 1st7 h ALA 82 N 1.71 1.92 0.15 1.87 0.00 -1.65 0.17 119.26 123.44 1st7 h ALA 82 Ca -0.00 0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.61 1st7 h ALA 82 Cb 0.52 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1st7 h ALA 82 CO 0.04 -0.27 -1.85 -0.22 0.00 0.00 0.00 179.25 176.95 1st7 h LYS 83 N 0.60 0.33 0.00 0.00 3.64 -1.24 -3.43 116.57 116.47 1st7 h LYS 83 Ca 0.55 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1st7 h LYS 83 Cb 1.07 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1st7 h LYS 83 CO -0.30 1.25 -1.31 0.66 -2.27 0.00 0.00 179.45 177.48 1st7 n TYR 84 N -3.53 0.04 0.11 1.91 4.01 0.16 -4.47 117.16 115.40 1st7 n TYR 84 Ca -0.27 0.01 -0.13 0.00 -0.16 0.00 0.00 57.90 57.35 1st7 n TYR 84 Cb 1.06 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 39.81 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 0.00 -0.72 0.00 7.72 0.87 -1.23 -3.32 113.55 116.87 1st7 h SER 85 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1st7 h SER 85 Cb 0.69 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1st7 h SER 85 CO 0.00 -0.35 0.00 -0.24 -0.53 0.00 0.00 176.83 175.71