#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 -0.01 4.52 0.02 -1.93 0.72 113.55 116.87 1st7 h SER 2 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 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 0.00 -0.16 1.56 -1.14 0.00 0.00 176.83 177.09 1st7 h GLN 3 N 0.00 0.13 -0.47 3.45 4.20 -2.01 -3.29 115.11 117.13 1st7 h GLN 3 Ca 0.29 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.93 1st7 h GLN 3 Cb 1.30 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.06 1st7 h GLN 3 CO -0.00 0.84 0.21 1.25 -0.67 0.00 0.00 178.83 180.47 1st7 h LEU 4 N -0.54 0.29 -0.75 1.46 5.85 -1.80 -2.55 115.31 117.27 1st7 h LEU 4 Ca -0.02 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1st7 h LEU 4 Cb 0.89 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.77 1st7 h LEU 4 CO 0.03 0.20 -0.32 0.15 -0.34 0.00 0.00 178.44 178.17 1st7 h PHE 5 N 0.43 -0.85 0.02 1.25 3.57 -0.95 0.30 116.94 120.71 1st7 h PHE 5 Ca 0.21 0.08 -0.28 0.00 3.53 0.00 0.00 57.97 61.51 1st7 h PHE 5 Cb 0.15 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1st7 h PHE 5 CO -0.12 -0.38 -1.55 1.05 -2.23 0.00 0.00 178.31 175.08 1st7 h GLU 6 N -0.08 0.04 -0.75 1.11 4.11 -1.62 0.46 114.58 117.85 1st7 h GLU 6 Ca 0.30 -0.07 0.03 0.00 0.07 0.00 0.00 59.36 59.69 1st7 h GLU 6 Cb 0.57 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1st7 h GLU 6 CO -0.80 0.71 0.48 1.49 0.07 0.00 0.00 179.01 180.95 1st7 h GLU 7 N 0.01 0.92 0.00 1.06 4.81 -0.89 -0.64 114.58 119.85 1st7 h GLU 7 Ca -0.23 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1st7 h GLU 7 Cb 1.96 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 1st7 h GLU 7 CO 0.10 0.61 -1.21 1.63 -0.73 0.00 0.00 179.01 179.41 1st7 n LYS 8 N -4.61 0.61 -0.06 1.92 4.01 0.96 -3.36 118.16 117.64 1st7 n LYS 8 Ca 0.08 0.13 -0.11 0.00 -0.51 0.00 0.00 58.31 57.89 1st7 n LYS 8 Cb 0.07 -1.80 -0.05 0.00 -0.51 0.00 0.00 35.03 32.74 1st7 n LYS 8 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1st7 h ALA 9 N 1.83 0.24 0.00 7.82 0.00 -0.69 -1.64 119.26 126.82 1st7 h ALA 9 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1st7 h ALA 9 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1st7 h ALA 9 CO 0.01 -0.06 0.00 0.87 0.00 0.00 0.00 179.25 180.07 1st7 h LYS 10 N 0.08 0.00 0.39 0.00 1.57 -1.26 -1.55 116.57 115.79 1st7 h LYS 10 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1st7 h LYS 10 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1st7 h LYS 10 CO 0.01 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 178.70 1st7 h ALA 11 N 2.04 -0.52 -0.06 3.86 0.00 -1.50 -3.31 119.26 119.76 1st7 h ALA 11 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 11 Cb 0.25 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1st7 h ALA 11 CO 0.00 -0.50 -0.05 -0.39 0.00 0.00 0.00 179.25 178.31 1st7 h VAL 12 N -1.11 1.08 0.00 0.00 -1.51 -0.74 0.90 116.25 114.88 1st7 h VAL 12 Ca -0.05 -0.34 -0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1st7 h VAL 12 Cb 0.45 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1st7 h VAL 12 CO 0.09 0.11 -0.14 0.78 -1.23 0.00 0.00 177.57 177.18 1st7 h ASN 13 N 0.09 0.00 -0.21 4.19 2.35 -1.46 -3.22 115.58 117.32 1st7 h ASN 13 Ca 0.02 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.57 1st7 h ASN 13 Cb 0.15 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.24 1st7 h ASN 13 CO 0.01 0.14 -0.86 -0.62 -1.65 0.00 0.00 177.43 174.44 1st7 n GLU 14 N -3.36 1.42 -1.68 0.81 1.02 0.03 -4.86 120.64 114.02 1st7 n GLU 14 Ca -0.00 -3.05 -0.32 0.00 -0.02 0.00 0.00 57.16 53.77 1st7 n GLU 14 Cb 0.34 -1.18 0.04 0.00 -0.02 0.00 0.00 31.44 30.63 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 -2.31 3.23 0.37 -4.62 1.43 0.09 -4.95 118.68 111.93 1st7 s LEU 15 Ca 0.37 1.70 0.20 0.00 -1.03 0.00 0.00 54.13 55.37 1st7 s LEU 15 Cb 0.37 -4.51 0.51 0.00 0.03 0.00 0.00 46.19 42.59 1st7 s LEU 15 CO -0.08 -1.43 1.65 1.55 0.23 0.00 0.00 176.35 178.27 1st7 h PRO 16 N -0.41 0.00 -3.63 1.29 0.13 -1.84 -3.18 132.00 124.35 1st7 h PRO 16 Ca -0.45 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.89 1st7 h PRO 16 Cb 1.22 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.07 1st7 h PRO 16 CO 0.56 0.34 0.31 0.99 -0.23 0.00 0.00 178.00 179.97 1st7 s THR 17 N -3.34 5.78 0.77 1.56 2.01 -1.24 -5.04 115.64 116.14 1st7 s THR 17 Ca 0.02 -3.17 -0.14 0.00 0.31 0.00 0.00 61.69 58.72 1st7 s THR 17 Cb 0.09 -4.50 0.06 0.00 0.01 0.00 0.00 72.50 68.16 1st7 s THR 17 CO 0.69 -1.13 1.21 -0.54 -0.69 0.00 0.00 174.62 174.16 1st7 s LYS 18 N -0.84 1.84 0.43 4.92 1.02 -1.21 -4.75 119.74 121.15 1st7 s LYS 18 Ca 0.27 1.77 -0.26 0.00 0.02 0.00 0.00 55.97 57.77 1st7 s LYS 18 Cb -0.10 -1.80 -0.09 0.00 -0.52 0.00 0.00 37.83 35.32 1st7 s LYS 18 CO -0.08 -2.06 1.41 -2.14 -0.92 0.00 0.00 175.35 171.56 1st7 s PRO 19 N -4.04 3.81 0.65 -1.68 0.02 -1.26 -4.99 135.00 127.52 1st7 s PRO 19 Ca 0.74 2.40 -0.12 0.00 0.02 0.00 0.00 61.00 64.04 1st7 s PRO 19 Cb -0.29 -2.73 -0.02 0.00 0.02 0.00 0.00 34.50 31.48 1st7 s PRO 19 CO 0.48 -0.71 1.05 -1.12 -0.33 0.00 0.00 177.00 176.37 1st7 s SER 20 N -0.49 5.74 0.28 2.53 0.01 -1.26 -4.82 113.70 115.70 1st7 s SER 20 Ca 0.59 1.58 -0.02 0.00 1.31 0.00 0.00 55.95 59.41 1st7 s SER 20 Cb -0.43 -2.49 0.40 0.00 0.21 0.00 0.00 66.02 63.71 1st7 s SER 20 CO 0.56 -1.20 1.89 0.00 0.41 0.00 0.00 173.24 174.90 1st7 h THR 21 N -0.38 1.22 0.00 1.44 1.03 -2.01 -1.36 112.91 112.86 1st7 h THR 21 Ca -0.44 -0.61 -0.11 0.00 -0.01 0.00 0.00 66.41 65.23 1st7 h THR 21 Cb 1.20 0.33 -0.02 0.00 -1.07 0.00 0.00 68.15 68.60 1st7 h THR 21 CO 0.59 0.26 -1.29 0.47 -0.01 0.00 0.00 175.52 175.54 1st7 n ASP 22 N -4.34 0.84 -0.02 0.00 8.00 -1.26 -4.33 116.55 115.45 1st7 n ASP 22 Ca 0.07 0.35 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 1st7 n ASP 22 Cb 0.13 0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 1st7 n ASP 22 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1st7 h GLU 23 N 0.00 -0.03 -1.10 -1.24 4.39 -1.81 -3.26 114.58 111.54 1st7 h GLU 23 Ca -0.11 0.00 0.40 0.00 0.34 0.00 0.00 59.36 59.99 1st7 h GLU 23 Cb 1.38 0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.88 1st7 h GLU 23 CO 0.03 0.55 0.64 1.25 -1.16 0.00 0.00 179.01 180.33 1st7 h LEU 24 N -0.64 0.36 -0.10 1.33 5.85 -1.46 -0.68 115.31 119.97 1st7 h LEU 24 Ca -0.00 0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 1st7 h LEU 24 Cb 0.60 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1st7 h LEU 24 CO 0.01 -0.27 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.43 1st7 h LEU 25 N 0.12 0.46 -0.87 2.25 3.38 -1.76 0.34 115.31 119.23 1st7 h LEU 25 Ca 0.81 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1st7 h LEU 25 Cb 2.17 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.75 1st7 h LEU 25 CO -0.61 1.00 0.40 -0.08 0.09 0.00 0.00 178.44 179.23 1st7 h GLU 26 N -0.05 1.22 0.00 1.13 4.57 -1.41 -2.89 114.58 117.15 1st7 h GLU 26 Ca -0.01 -0.18 -0.18 0.00 -1.18 0.00 0.00 59.36 57.81 1st7 h GLU 26 Cb 0.96 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 1st7 h GLU 26 CO 0.07 0.94 -0.84 -0.07 -1.18 0.00 0.00 179.01 177.92 1st7 h LEU 27 N 1.20 0.00 -0.08 1.64 -0.00 -1.15 -3.20 115.31 113.73 1st7 h LEU 27 Ca 0.29 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.21 1st7 h LEU 27 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.73 1st7 h LEU 27 CO -0.04 0.84 -0.32 0.22 -0.00 0.00 0.00 178.44 179.15 1st7 h TYR 28 N 0.00 -0.87 -0.31 1.13 5.03 -0.21 0.60 116.97 122.34 1st7 h TYR 28 Ca -0.01 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.41 1st7 h TYR 28 Cb 1.63 0.39 -0.08 0.00 1.55 0.00 0.00 36.73 40.23 1st7 h TYR 28 CO 0.00 -0.40 -0.25 0.00 -1.32 0.00 0.00 178.16 176.19 1st7 h ALA 29 N 0.36 -0.09 -0.47 1.82 0.00 -1.50 0.48 119.26 119.87 1st7 h ALA 29 Ca 0.08 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1st7 h ALA 29 Cb 0.55 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1st7 h ALA 29 CO -0.31 -0.66 0.12 -0.07 0.00 0.00 0.00 179.25 178.33 1st7 h LEU 30 N -0.22 0.70 0.46 0.00 4.07 -1.58 -0.51 115.31 118.22 1st7 h LEU 30 Ca 0.16 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1st7 h LEU 30 Cb 0.47 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1st7 h LEU 30 CO -0.44 0.74 -0.37 0.22 -1.08 0.00 0.00 178.44 177.50 1st7 h TYR 31 N 0.62 -1.01 -0.80 1.13 3.20 -0.27 -2.46 116.97 117.38 1st7 h TYR 31 Ca 0.15 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.09 1st7 h TYR 31 Cb 0.31 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 1st7 h TYR 31 CO 0.02 -0.54 0.52 0.87 -1.64 0.00 0.00 178.16 177.39 1st7 h LYS 32 N -0.83 0.79 0.33 1.82 1.79 -0.97 -0.19 116.57 119.32 1st7 h LYS 32 Ca -0.05 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1st7 h LYS 32 Cb 0.71 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1st7 h LYS 32 CO -0.01 0.53 -0.52 1.96 -1.08 0.00 0.00 179.45 180.33 1st7 h GLN 33 N 0.82 -0.87 -0.00 3.15 4.20 -0.69 -2.27 115.11 119.45 1st7 h GLN 33 Ca 0.35 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1st7 h GLN 33 Cb 0.31 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1st7 h GLN 33 CO -0.13 -0.58 -0.30 0.00 -0.67 0.00 0.00 178.83 177.15 1st7 n ALA 34 N -2.87 3.07 0.34 3.87 0.00 -0.96 -0.33 120.51 123.63 1st7 n ALA 34 Ca -0.10 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 1st7 n ALA 34 Cb 0.44 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 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 0.00 0.07 0.00 0.00 2.02 -0.87 -3.40 112.91 110.73 1st7 h THR 35 Ca 0.00 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 1st7 h THR 35 Cb 0.50 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1st7 h THR 35 CO 0.00 0.01 -0.56 1.62 0.37 0.00 0.00 175.52 176.96 1st7 h VAL 36 N -1.20 0.37 0.00 3.16 3.04 -1.50 -3.50 116.25 116.62 1st7 h VAL 36 Ca -0.09 -1.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 1st7 h VAL 36 Cb 0.70 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1st7 h VAL 36 CO 0.15 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.45 1st7 n GLY 37 N 1.60 1.03 3.27 3.17 0.00 0.56 -5.04 105.19 109.78 1st7 n GLY 37 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.98 1.59 -1.15 1.61 1.01 -1.26 -4.35 116.67 112.15 1st7 s ASP 38 Ca 0.00 -1.14 -0.24 0.00 0.71 0.00 0.00 52.55 51.88 1st7 s ASP 38 Cb 0.00 0.04 -0.12 0.00 1.01 0.00 0.00 42.92 43.85 1st7 s ASP 38 CO 0.00 -0.48 1.97 -0.46 0.21 0.00 0.00 175.17 176.41 1st7 n ASN 39 N -0.29 2.70 -0.02 0.27 6.94 -0.69 -4.81 115.26 119.36 1st7 n ASN 39 Ca -0.07 -2.66 -0.08 0.00 -0.02 0.00 0.00 54.58 51.75 1st7 n ASN 39 Cb 0.63 -1.71 -0.07 0.00 -2.36 0.00 0.00 39.78 36.26 1st7 n ASN 39 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1st7 h ASP 40 N 10.03 -0.07 -1.86 0.53 3.58 -1.93 -3.40 116.42 123.29 1st7 h ASP 40 Ca 0.18 -0.46 -0.71 0.00 0.42 0.00 0.00 57.03 56.46 1st7 h ASP 40 Cb 0.94 0.02 -0.15 0.00 1.72 0.00 0.00 39.33 41.85 1st7 h ASP 40 CO 1.21 0.62 1.49 -0.54 -2.88 0.00 0.00 179.24 179.14 1st7 s LYS 41 N -2.41 3.99 -0.38 0.28 -0.14 -1.26 -4.84 119.74 114.98 1st7 s LYS 41 Ca -0.11 -2.30 -0.06 0.00 -1.36 0.00 0.00 55.97 52.15 1st7 s LYS 41 Cb -0.01 -5.16 -0.13 0.00 -1.68 0.00 0.00 37.83 30.84 1st7 s LYS 41 CO 0.40 -1.89 3.24 -1.91 -0.76 0.00 0.00 175.35 174.42 1st7 n GLU 42 N 6.50 2.44 -3.06 1.68 2.13 -1.26 -4.27 120.64 124.80 1st7 n GLU 42 Ca 0.38 -1.66 -0.07 0.00 0.66 0.00 0.00 57.16 56.47 1st7 n GLU 42 Cb 0.45 -2.16 -0.02 0.00 0.27 0.00 0.00 31.44 29.97 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 0.21 0.92 0.00 5.31 2.20 -1.26 -5.15 119.74 121.96 1st7 s LYS 43 Ca 0.64 -0.94 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1st7 s LYS 43 Cb 0.32 -0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1st7 s LYS 43 CO -0.08 -1.28 0.00 -0.35 -0.36 0.00 0.00 175.35 173.28 1st7 n PRO 44 N 3.54 0.60 -1.13 4.03 -0.04 -1.26 -5.08 135.00 135.66 1st7 n PRO 44 Ca 0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.43 1st7 n PRO 44 Cb 0.54 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.14 1st7 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1st7 n GLY 45 N 5.00 -1.73 0.12 0.55 0.00 -1.26 -5.03 105.19 102.84 1st7 n GLY 45 Ca 0.00 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.47 1.52 0.75 -0.61 -5.35 -1.26 -4.31 119.36 106.63 1st7 n ILE 46 Ca 0.11 -0.23 0.11 0.00 -0.27 0.00 0.00 62.75 62.46 1st7 n ILE 46 Cb 0.39 -2.00 0.28 0.00 -1.74 0.00 0.00 39.64 36.57 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 -4.32 0.38 -1.91 4.28 1.16 -1.26 -4.96 117.46 110.83 1st7 n PHE 47 Ca -0.43 -0.19 -0.42 0.00 -1.87 0.00 0.00 57.45 54.53 1st7 n PHE 47 Cb 0.78 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.62 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 -1.47 6.60 -0.02 5.98 3.84 -1.26 -4.89 114.94 123.72 1st7 s ASN 48 Ca 0.35 2.40 -0.05 0.00 0.21 0.00 0.00 52.86 55.77 1st7 s ASN 48 Cb 0.20 -2.54 -0.28 0.00 -0.55 0.00 0.00 41.25 38.07 1st7 s ASN 48 CO 0.28 -0.94 0.77 0.24 -2.79 0.00 0.00 177.10 174.66 1st7 h MET 49 N 9.44 0.28 0.06 0.43 2.86 -1.96 -3.38 114.93 122.67 1st7 h MET 49 Ca -0.42 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 56.73 1st7 h MET 49 Cb 1.20 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.04 1st7 h MET 49 CO 0.94 1.16 -0.03 0.87 1.06 0.00 0.00 176.91 180.91 1st7 h LYS 50 N 0.08 -0.08 -0.83 1.72 1.79 -2.02 -3.38 116.57 113.85 1st7 h LYS 50 Ca -0.28 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.27 1st7 h LYS 50 Cb 2.04 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 32.65 1st7 h LYS 50 CO 0.16 0.49 0.54 -0.44 -1.08 0.00 0.00 179.45 179.12 1st7 h ASP 51 N -0.90 0.76 -0.81 0.86 5.19 -1.98 -2.33 116.42 117.21 1st7 h ASP 51 Ca -0.01 0.01 0.15 0.00 -0.62 0.00 0.00 57.03 56.56 1st7 h ASP 51 Cb 0.61 -0.15 -0.10 0.00 0.18 0.00 0.00 39.33 39.87 1st7 h ASP 51 CO 0.01 0.47 0.38 0.03 -3.12 0.00 0.00 179.24 177.02 1st7 h ARG 52 N 0.86 0.52 0.15 3.56 3.08 -1.73 0.18 114.38 120.99 1st7 h ARG 52 Ca 0.37 -0.03 -0.35 0.00 0.07 0.00 0.00 59.98 60.04 1st7 h ARG 52 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1st7 h ARG 52 CO -0.14 0.34 -1.83 0.10 -1.07 0.00 0.00 179.97 177.37 1st7 h TYR 53 N 0.54 0.57 0.00 3.04 -0.00 -1.64 -3.27 116.97 116.20 1st7 h TYR 53 Ca 0.45 -0.41 0.00 0.00 -0.00 0.00 0.00 58.73 58.77 1st7 h TYR 53 Cb 0.67 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.38 1st7 h TYR 53 CO -0.12 1.66 -0.34 1.57 -0.00 0.00 0.00 178.16 180.93 1st7 h LYS 54 N 0.09 0.00 -0.14 0.10 5.09 -1.38 -0.30 116.57 120.03 1st7 h LYS 54 Ca -0.36 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.24 1st7 h LYS 54 Cb 2.06 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.38 1st7 h LYS 54 CO 0.14 0.00 -0.50 2.35 -2.09 0.00 0.00 179.45 179.35 1st7 h TRP 55 N 0.00 0.45 0.00 0.07 7.01 -0.82 -2.44 115.95 120.23 1st7 h TRP 55 Ca 0.00 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 60.85 1st7 h TRP 55 Cb 0.82 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1st7 h TRP 55 CO 0.00 0.79 -0.01 1.49 -2.79 0.00 0.00 178.44 177.93 1st7 h GLU 56 N 0.29 0.00 0.00 2.65 4.81 -1.52 0.13 114.58 120.94 1st7 h GLU 56 Ca 0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1st7 h GLU 56 Cb 0.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1st7 h GLU 56 CO 0.08 0.01 -0.25 0.00 -0.73 0.00 0.00 179.01 178.12 1st7 h ALA 57 N 1.99 1.02 0.07 2.92 0.00 -0.95 -2.37 119.26 121.94 1st7 h ALA 57 Ca -0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1st7 h ALA 57 Cb 0.88 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1st7 h ALA 57 CO 0.00 0.31 -0.45 2.35 0.00 0.00 0.00 179.25 181.46 1st7 h TRP 58 N 0.00 0.26 -0.08 0.00 7.01 -0.84 -3.26 115.95 119.04 1st7 h TRP 58 Ca -0.00 -0.19 0.02 0.00 2.11 0.00 0.00 58.89 60.83 1st7 h TRP 58 Cb 0.77 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1st7 h TRP 58 CO 0.00 1.17 0.35 1.49 -2.79 0.00 0.00 178.44 178.67 1st7 h GLU 59 N -0.70 0.00 0.00 2.65 4.81 -0.77 -0.72 114.58 119.85 1st7 h GLU 59 Ca -0.08 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1st7 h GLU 59 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1st7 h GLU 59 CO 0.06 0.00 -0.19 -0.97 -0.73 0.00 0.00 179.01 177.18 1st7 h ASN 60 N 0.00 0.00 -0.09 1.04 -1.24 -1.46 -3.07 115.58 110.76 1st7 h ASN 60 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1st7 h ASN 60 Cb 0.75 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.80 1st7 h ASN 60 CO -0.00 0.19 0.00 0.18 -1.29 0.00 0.00 177.43 176.51 1st7 n LEU 61 N -3.54 2.83 -0.20 0.34 4.32 -0.29 -4.92 117.00 115.55 1st7 n LEU 61 Ca -0.01 -2.98 0.16 0.00 -0.02 0.00 0.00 56.01 53.16 1st7 n LEU 61 Cb 0.35 -0.44 0.27 0.00 -1.62 0.00 0.00 43.42 41.98 1st7 n LEU 61 CO 0.32 0.69 0.49 2.29 -1.22 0.00 0.00 177.39 179.96 1st7 n LYS 62 N -1.05 -0.01 0.00 3.23 -0.00 -1.14 -1.96 118.16 117.23 1st7 n LYS 62 Ca 0.17 0.48 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 1st7 n LYS 62 Cb 0.69 -0.97 0.00 0.00 -0.00 0.00 0.00 35.03 34.76 1st7 n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1st7 n GLY 63 N -1.22 0.00 0.24 2.58 0.00 -1.26 -1.70 105.19 103.83 1st7 n GLY 63 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1st7 n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1st7 n LYS 64 N -1.54 0.76 -0.09 1.61 2.85 -1.04 -4.64 118.16 116.08 1st7 n LYS 64 Ca 0.00 -0.49 -0.02 0.00 -1.05 0.00 0.00 58.31 56.75 1st7 n LYS 64 Cb 0.29 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.16 1st7 n LYS 64 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1st7 n SER 65 N -0.69 -0.22 0.15 -5.58 7.64 -0.83 -2.23 113.62 111.86 1st7 n SER 65 Ca 0.11 0.48 0.13 0.00 1.01 0.00 0.00 58.87 60.59 1st7 n SER 65 Cb 0.36 -0.10 0.54 0.00 -1.01 0.00 0.00 64.21 64.01 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 0.00 0.00 0.09 1.43 4.15 -1.76 0.94 115.11 119.96 1st7 h GLN 66 Ca 0.03 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.08 1st7 h GLN 66 Cb 0.09 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 1st7 h GLN 66 CO -0.20 0.00 -2.12 0.39 -1.93 0.00 0.00 178.83 174.97 1st7 n GLU 67 N -2.34 0.73 -0.04 1.69 1.02 -0.95 -4.53 120.64 116.21 1st7 n GLU 67 Ca 0.01 0.24 -0.10 0.00 -0.02 0.00 0.00 57.16 57.29 1st7 n GLU 67 Cb 0.20 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 1st7 n GLU 67 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1st7 n ASP 68 N -3.45 0.82 0.16 1.62 8.00 -0.71 -4.12 116.55 118.86 1st7 n ASP 68 Ca -0.36 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.29 1st7 n ASP 68 Cb 1.02 0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 42.15 1st7 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1st7 h ALA 69 N 0.89 -0.98 -0.95 2.24 0.00 -1.12 -2.44 119.26 116.90 1st7 h ALA 69 Ca -0.37 -0.12 0.28 0.00 0.00 0.00 0.00 54.91 54.71 1st7 h ALA 69 Cb 2.07 0.70 -0.17 0.00 0.00 0.00 0.00 17.79 20.39 1st7 h ALA 69 CO 0.06 -1.04 0.19 1.05 0.00 0.00 0.00 179.25 179.51 1st7 h GLU 70 N -0.67 0.08 0.00 0.00 4.11 -1.77 0.17 114.58 116.49 1st7 h GLU 70 Ca -0.03 -0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.25 1st7 h GLU 70 Cb 0.62 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1st7 h GLU 70 CO -0.13 0.05 -1.14 0.87 0.07 0.00 0.00 179.01 178.73 1st7 h LYS 71 N 0.08 0.00 0.11 1.06 1.57 -1.69 -3.19 116.57 114.51 1st7 h LYS 71 Ca 0.62 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 59.13 1st7 h LYS 71 Cb 1.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.67 1st7 h LYS 71 CO -0.80 0.35 -1.19 0.93 -0.57 0.00 0.00 179.45 178.16 1st7 h GLU 72 N 0.00 0.32 0.03 3.15 4.39 -0.93 -3.40 114.58 118.14 1st7 h GLU 72 Ca -0.11 -0.49 0.01 0.00 0.34 0.00 0.00 59.36 59.10 1st7 h GLU 72 Cb 1.51 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 1st7 h GLU 72 CO 0.05 1.21 -0.06 -0.92 -1.16 0.00 0.00 179.01 178.13 1st7 h TYR 73 N 0.11 -0.14 -0.93 4.33 3.20 -0.69 -2.86 116.97 119.99 1st7 h TYR 73 Ca -0.13 0.00 0.16 0.00 3.14 0.00 0.00 58.73 61.90 1st7 h TYR 73 Cb 1.90 0.06 -0.16 0.00 1.54 0.00 0.00 36.73 40.07 1st7 h TYR 73 CO 0.07 -0.09 -0.33 1.51 -1.64 0.00 0.00 178.16 177.68 1st7 n ILE 74 N -5.17 -0.46 0.21 1.81 3.06 -1.21 -0.73 119.36 116.88 1st7 n ILE 74 Ca -0.07 2.17 0.11 0.00 -2.50 0.00 0.00 62.75 62.46 1st7 n ILE 74 Cb 0.10 -2.90 0.24 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 1.45 0.93 0.01 1.51 0.00 -1.74 -1.43 119.26 119.98 1st7 h ALA 75 Ca 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1st7 h ALA 75 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1st7 h ALA 75 CO -0.93 0.16 -0.00 -0.07 0.00 0.00 0.00 179.25 178.40 1st7 h LEU 76 N 0.00 -0.01 -1.67 0.00 3.38 -1.11 -3.33 115.31 112.57 1st7 h LEU 76 Ca -0.00 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 1st7 h LEU 76 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1st7 h LEU 76 CO 0.02 0.71 -0.13 0.58 0.09 0.00 0.00 178.44 179.71 1st7 h VAL 77 N -0.74 0.43 -0.47 1.22 2.07 -0.85 -0.08 116.25 117.83 1st7 h VAL 77 Ca -0.00 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.89 1st7 h VAL 77 Cb 0.72 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1st7 h VAL 77 CO 0.00 0.12 0.21 -0.78 0.02 0.00 0.00 177.57 177.14 1st7 h ASP 78 N 0.00 0.27 1.02 0.57 3.58 -1.38 0.13 116.42 120.62 1st7 h ASP 78 Ca -0.00 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 1st7 h ASP 78 Cb 0.47 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1st7 h ASP 78 CO 0.02 0.19 -0.45 1.56 -2.88 0.00 0.00 179.24 177.68 1st7 h GLN 79 N 0.41 0.00 0.75 0.28 1.08 -1.16 -0.43 115.11 116.04 1st7 h GLN 79 Ca 0.22 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.38 1st7 h GLN 79 Cb 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1st7 h GLN 79 CO -0.18 0.45 -0.36 -0.07 -0.95 0.00 0.00 178.83 177.72 1st7 h LEU 80 N 0.00 -0.85 -1.32 1.46 4.07 -0.96 -3.28 115.31 114.43 1st7 h LEU 80 Ca -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1st7 h LEU 80 Cb 1.08 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 43.02 1st7 h LEU 80 CO 0.06 -0.48 0.05 0.40 -1.08 0.00 0.00 178.44 177.38 1st7 h ILE 81 N -1.25 1.18 -0.66 1.22 2.04 -0.65 0.44 117.51 119.83 1st7 h ILE 81 Ca -0.10 -0.66 0.16 0.00 1.00 0.00 0.00 64.86 65.26 1st7 h ILE 81 Cb 0.78 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1st7 h ILE 81 CO 0.17 0.23 0.45 0.00 0.00 0.00 0.00 178.15 179.00 1st7 h ALA 82 N 1.57 2.35 0.00 1.87 0.00 -1.19 0.49 119.26 124.36 1st7 h ALA 82 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1st7 h ALA 82 Cb 0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1st7 h ALA 82 CO 0.00 -0.53 -0.97 0.87 0.00 0.00 0.00 179.25 178.62 1st7 h LYS 83 N 0.19 0.01 0.00 0.00 1.57 -1.22 -3.44 116.57 113.67 1st7 h LYS 83 Ca 0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1st7 h LYS 83 Cb 0.99 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1st7 h LYS 83 CO -0.06 1.01 -0.74 0.66 -0.57 0.00 0.00 179.45 179.75 1st7 n TYR 84 N -4.45 0.05 0.25 -1.35 4.01 0.14 -4.18 117.16 111.64 1st7 n TYR 84 Ca -0.27 0.01 -0.16 0.00 -0.16 0.00 0.00 57.90 57.33 1st7 n TYR 84 Cb 0.64 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.81 0.00 7.72 0.87 -1.15 -3.30 113.55 116.88 1st7 h SER 85 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1st7 h SER 85 Cb 0.54 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1st7 h SER 85 CO 0.00 -0.47 0.00 -1.20 -0.53 0.00 0.00 176.83 174.63