#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 0.55 -0.63 -1.34 4.64 -1.91 -2.85 113.55 112.01 1st7 h SER 2 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1st7 h SER 2 Cb 0.00 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1st7 h SER 2 CO 0.00 0.36 0.13 0.06 -0.87 0.00 0.00 176.83 176.51 1st7 h GLN 3 N 0.63 1.05 -0.34 4.77 3.07 -1.99 -0.48 115.11 121.81 1st7 h GLN 3 Ca 0.27 -0.26 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1st7 h GLN 3 Cb 0.25 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 1st7 h GLN 3 CO -0.08 0.95 0.22 1.25 0.09 0.00 0.00 178.83 181.26 1st7 h LEU 4 N 0.99 0.40 -0.81 0.06 5.85 -1.93 -1.78 115.31 118.09 1st7 h LEU 4 Ca 0.20 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1st7 h LEU 4 Cb 0.39 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1st7 h LEU 4 CO 0.01 0.32 0.44 0.15 -0.34 0.00 0.00 178.44 179.01 1st7 h PHE 5 N 0.45 0.79 -0.19 1.25 3.04 -1.30 -2.69 116.94 118.29 1st7 h PHE 5 Ca 0.12 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.89 1st7 h PHE 5 Cb -0.02 -0.23 0.01 0.00 2.56 0.00 0.00 35.95 38.26 1st7 h PHE 5 CO -0.05 0.28 -0.72 0.93 -2.02 0.00 0.00 178.31 176.74 1st7 h GLU 6 N 0.71 0.81 -0.66 1.11 5.08 -0.38 0.23 114.58 121.47 1st7 h GLU 6 Ca 0.41 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1st7 h GLU 6 Cb 0.44 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1st7 h GLU 6 CO -0.28 1.23 0.42 0.93 -1.00 0.00 0.00 179.01 180.31 1st7 h GLU 7 N 0.57 0.87 0.00 2.33 5.08 -1.03 -2.94 114.58 119.46 1st7 h GLU 7 Ca -0.03 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 1st7 h GLU 7 Cb 1.34 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1st7 h GLU 7 CO 0.15 0.60 -1.32 1.63 -1.00 0.00 0.00 179.01 179.07 1st7 n LYS 8 N -4.61 0.62 -0.09 2.33 4.01 -1.06 -3.59 118.16 115.77 1st7 n LYS 8 Ca 0.05 0.19 -0.12 0.00 -0.51 0.00 0.00 58.31 57.92 1st7 n LYS 8 Cb 0.03 -1.81 -0.04 0.00 -0.51 0.00 0.00 35.03 32.70 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 1.59 0.35 0.00 7.82 0.00 -0.49 -1.78 119.26 126.75 1st7 h ALA 9 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1st7 h ALA 9 Cb 1.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1st7 h ALA 9 CO 0.03 0.17 0.04 0.87 0.00 0.00 0.00 179.25 180.36 1st7 h LYS 10 N 0.24 0.00 0.00 0.00 1.57 -1.67 -2.18 116.57 114.53 1st7 h LYS 10 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1st7 h LYS 10 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1st7 h LYS 10 CO 0.03 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.85 1st7 h ALA 11 N 1.92 0.00 0.00 3.86 0.00 -1.48 -3.38 119.26 120.18 1st7 h ALA 11 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1st7 h ALA 11 Cb 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1st7 h ALA 11 CO 0.00 0.06 -0.04 -0.39 0.00 0.00 0.00 179.25 178.87 1st7 h VAL 12 N -1.00 0.64 0.00 0.00 -1.51 -0.99 0.16 116.25 113.55 1st7 h VAL 12 Ca -0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1st7 h VAL 12 Cb 0.16 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1st7 h VAL 12 CO -0.00 0.04 0.00 0.59 -1.23 0.00 0.00 177.57 176.97 1st7 n ASN 13 N -3.93 0.41 -1.34 4.19 3.02 -0.85 -3.72 115.26 113.04 1st7 n ASN 13 Ca -0.03 0.57 0.01 0.00 -0.03 0.00 0.00 54.58 55.11 1st7 n ASN 13 Cb 0.13 -0.67 -0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1st7 n ASN 13 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1st7 n GLU 14 N -1.92 0.00 -1.77 3.52 0.28 0.32 -4.97 120.64 116.10 1st7 n GLU 14 Ca 0.04 -1.72 -0.32 0.00 -0.16 0.00 0.00 57.16 55.00 1st7 n GLU 14 Cb 0.28 0.10 0.04 0.00 1.43 0.00 0.00 31.44 33.29 1st7 n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1st7 s LEU 15 N 0.00 3.35 0.42 -1.84 1.43 0.07 -4.94 118.68 117.17 1st7 s LEU 15 Ca 0.25 1.86 0.22 0.00 -1.03 0.00 0.00 54.13 55.43 1st7 s LEU 15 Cb 0.28 -4.53 0.80 0.00 0.03 0.00 0.00 46.19 42.77 1st7 s LEU 15 CO -0.12 -1.50 1.77 1.55 0.23 0.00 0.00 176.35 178.28 1st7 h PRO 16 N -0.07 0.00 -3.57 1.29 0.13 -1.86 -2.97 132.00 124.95 1st7 h PRO 16 Ca -0.46 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.89 1st7 h PRO 16 Cb 1.23 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 1st7 h PRO 16 CO 0.55 0.27 0.29 0.99 -0.23 0.00 0.00 178.00 179.87 1st7 s THR 17 N -3.58 5.63 0.59 1.56 2.01 -1.24 -5.06 115.64 115.55 1st7 s THR 17 Ca 0.01 -3.33 -0.19 0.00 0.31 0.00 0.00 61.69 58.48 1st7 s THR 17 Cb 0.10 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1st7 s THR 17 CO 0.65 -1.14 1.12 0.29 -0.69 0.00 0.00 174.62 174.85 1st7 n LYS 18 N 2.86 1.13 -1.08 4.92 5.02 -1.12 -4.74 118.16 125.15 1st7 n LYS 18 Ca 0.21 0.43 -0.32 0.00 -2.02 0.00 0.00 58.31 56.62 1st7 n LYS 18 Cb 0.40 -2.32 0.12 0.00 -0.02 0.00 0.00 35.03 33.21 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 -2.86 1.72 0.71 1.97 0.02 -1.26 -5.00 135.00 130.31 1st7 s PRO 19 Ca 0.76 1.48 -0.11 0.00 0.02 0.00 0.00 61.00 63.15 1st7 s PRO 19 Cb -0.42 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.31 1st7 s PRO 19 CO 0.47 -2.10 1.07 -1.12 -0.33 0.00 0.00 177.00 174.99 1st7 s SER 20 N -2.73 5.23 0.02 2.53 0.01 -1.26 -4.83 113.70 112.68 1st7 s SER 20 Ca 0.67 1.59 -0.29 0.00 1.31 0.00 0.00 55.95 59.23 1st7 s SER 20 Cb -0.22 -2.44 -0.16 0.00 0.21 0.00 0.00 66.02 63.40 1st7 s SER 20 CO 0.54 -1.54 1.20 0.74 0.41 0.00 0.00 173.24 174.59 1st7 h THR 21 N -0.78 0.00 0.00 1.44 2.02 -2.00 0.83 112.91 114.41 1st7 h THR 21 Ca -0.44 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 1st7 h THR 21 Cb 1.22 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1st7 h THR 21 CO 0.57 0.00 -0.28 -0.78 0.37 0.00 0.00 175.52 175.40 1st7 h ASP 22 N -1.26 0.00 0.19 4.18 3.58 -2.03 -3.32 116.42 117.76 1st7 h ASP 22 Ca -0.11 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.16 1st7 h ASP 22 Cb 0.79 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 1st7 h ASP 22 CO 0.17 0.28 -0.71 -0.33 -2.88 0.00 0.00 179.24 175.77 1st7 h GLU 23 N 0.00 0.46 -1.00 0.28 5.08 -1.92 -2.96 114.58 114.53 1st7 h GLU 23 Ca -0.00 -0.37 0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1st7 h GLU 23 Cb 1.08 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 1st7 h GLU 23 CO 0.04 1.00 0.61 1.25 -1.00 0.00 0.00 179.01 180.91 1st7 h LEU 24 N 0.32 0.74 -0.13 1.33 5.85 -0.93 -2.38 115.31 120.10 1st7 h LEU 24 Ca -0.03 0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.57 1st7 h LEU 24 Cb 1.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1st7 h LEU 24 CO 0.13 0.26 -0.98 -0.07 -0.34 0.00 0.00 178.44 177.44 1st7 h LEU 25 N 0.72 0.19 -0.77 2.25 -0.00 -1.70 0.29 115.31 116.29 1st7 h LEU 25 Ca 0.57 -0.18 -0.13 0.00 -0.00 0.00 0.00 57.88 58.14 1st7 h LEU 25 Cb 0.95 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1st7 h LEU 25 CO -0.35 1.06 -0.58 1.05 -0.00 0.00 0.00 178.44 179.62 1st7 h GLU 26 N 0.06 0.12 -0.42 1.13 4.11 -1.60 -2.93 114.58 115.06 1st7 h GLU 26 Ca -0.05 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.21 1st7 h GLU 26 Cb 1.67 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1st7 h GLU 26 CO 0.14 0.66 -0.08 1.25 0.07 0.00 0.00 179.01 181.06 1st7 h LEU 27 N 0.09 0.79 -0.46 3.06 7.12 -1.14 -3.06 115.31 121.71 1st7 h LEU 27 Ca -0.00 -0.35 0.08 0.00 0.13 0.00 0.00 57.88 57.74 1st7 h LEU 27 Cb 1.04 -0.22 -0.10 0.00 -0.53 0.00 0.00 40.66 40.86 1st7 h LEU 27 CO 0.08 0.96 -0.36 0.22 -0.13 0.00 0.00 178.44 179.21 1st7 h TYR 28 N 0.61 -1.01 -0.55 1.25 5.03 -0.42 -1.41 116.97 120.48 1st7 h TYR 28 Ca 0.11 0.07 0.10 0.00 2.58 0.00 0.00 58.73 61.59 1st7 h TYR 28 Cb 0.60 0.51 -0.08 0.00 1.55 0.00 0.00 36.73 39.31 1st7 h TYR 28 CO 0.05 -0.40 0.08 0.00 -1.32 0.00 0.00 178.16 176.57 1st7 h ALA 29 N 0.73 0.60 -0.26 1.82 0.00 -1.41 0.26 119.26 121.01 1st7 h ALA 29 Ca 0.18 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1st7 h ALA 29 Cb 0.55 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1st7 h ALA 29 CO -0.59 -0.33 -0.02 -0.07 0.00 0.00 0.00 179.25 178.23 1st7 h LEU 30 N 0.21 0.46 0.34 0.00 4.07 -1.51 -0.07 115.31 118.80 1st7 h LEU 30 Ca 0.28 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1st7 h LEU 30 Cb 0.41 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1st7 h LEU 30 CO -0.39 0.68 -0.25 0.22 -1.08 0.00 0.00 178.44 177.62 1st7 h TYR 31 N 0.23 -0.66 -0.92 1.13 3.20 -0.61 -2.05 116.97 117.30 1st7 h TYR 31 Ca 0.07 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1st7 h TYR 31 Cb 0.46 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 1st7 h TYR 31 CO 0.04 -0.38 0.60 0.87 -1.64 0.00 0.00 178.16 177.65 1st7 h LYS 32 N -0.58 0.95 0.35 1.82 1.79 -0.57 -0.38 116.57 119.94 1st7 h LYS 32 Ca -0.03 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1st7 h LYS 32 Cb 0.51 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1st7 h LYS 32 CO 0.00 0.63 -0.47 1.96 -1.08 0.00 0.00 179.45 180.49 1st7 h GLN 33 N 0.98 -0.82 -0.00 3.15 4.20 -0.31 -2.29 115.11 120.02 1st7 h GLN 33 Ca 0.42 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1st7 h GLN 33 Cb 0.32 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1st7 h GLN 33 CO -0.18 -0.55 -0.45 0.00 -0.67 0.00 0.00 178.83 176.99 1st7 n ALA 34 N -2.80 3.46 0.38 3.87 0.00 -0.92 -0.68 120.51 123.81 1st7 n ALA 34 Ca -0.10 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.80 1st7 n ALA 34 Cb 0.41 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 0.42 0.00 0.08 0.00 2.02 -0.98 -3.38 112.91 111.08 1st7 h THR 35 Ca 0.00 -0.22 -0.32 0.00 0.77 0.00 0.00 66.41 66.64 1st7 h THR 35 Cb 0.51 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1st7 h THR 35 CO 0.00 0.00 -1.74 -0.37 0.37 0.00 0.00 175.52 173.78 1st7 h VAL 36 N -1.22 0.88 0.00 3.16 -1.51 -1.54 -3.49 116.25 112.53 1st7 h VAL 36 Ca -0.10 -2.61 0.00 0.00 -1.23 0.00 0.00 66.70 62.76 1st7 h VAL 36 Cb 0.77 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 32.50 1st7 h VAL 36 CO 0.17 0.75 0.00 0.61 -1.23 0.00 0.00 177.57 177.87 1st7 n GLY 37 N 1.75 3.24 3.44 5.19 0.00 0.15 -5.02 105.19 113.94 1st7 n GLY 37 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.30 3.03 -0.94 1.61 1.01 -1.26 -4.61 116.67 115.21 1st7 s ASP 38 Ca 0.00 -1.14 -0.26 0.00 0.71 0.00 0.00 52.55 51.86 1st7 s ASP 38 Cb 0.00 -0.22 -0.20 0.00 1.01 0.00 0.00 42.92 43.52 1st7 s ASP 38 CO 0.00 -0.24 2.22 -0.46 0.21 0.00 0.00 175.17 176.90 1st7 n ASN 39 N -0.60 1.40 -0.01 0.27 6.94 -0.83 -4.83 115.26 117.60 1st7 n ASN 39 Ca -0.06 -2.02 -0.01 0.00 -0.02 0.00 0.00 54.58 52.47 1st7 n ASN 39 Cb 0.62 -1.66 -0.00 0.00 -2.36 0.00 0.00 39.78 36.38 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 12.03 -0.03 -1.34 0.53 3.58 -1.94 -3.41 116.42 125.85 1st7 h ASP 40 Ca 0.00 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.76 1st7 h ASP 40 Cb 1.00 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.95 1st7 h ASP 40 CO 1.01 0.23 1.82 -0.54 -2.88 0.00 0.00 179.24 178.88 1st7 s LYS 41 N -1.45 3.96 -0.61 0.28 -0.14 -1.26 -4.85 119.74 115.66 1st7 s LYS 41 Ca -0.01 -2.06 -0.06 0.00 -1.36 0.00 0.00 55.97 52.48 1st7 s LYS 41 Cb 0.00 -5.35 -0.07 0.00 -1.68 0.00 0.00 37.83 30.73 1st7 s LYS 41 CO 0.02 -2.09 3.05 -1.91 -0.76 0.00 0.00 175.35 173.66 1st7 n GLU 42 N 7.57 2.81 -3.19 1.68 2.13 -1.26 -4.11 120.64 126.26 1st7 n GLU 42 Ca 0.43 -2.02 -0.09 0.00 0.66 0.00 0.00 57.16 56.14 1st7 n GLU 42 Cb 0.46 -2.27 -0.04 0.00 0.27 0.00 0.00 31.44 29.86 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 -0.05 0.82 0.80 5.31 2.20 -1.26 -5.13 119.74 122.43 1st7 s LYS 43 Ca 0.63 -0.80 -0.12 0.00 -0.36 0.00 0.00 55.97 55.32 1st7 s LYS 43 Cb 0.30 -0.36 0.07 0.00 -1.51 0.00 0.00 37.83 36.33 1st7 s LYS 43 CO -0.10 -1.24 1.11 -1.25 -0.36 0.00 0.00 175.35 173.52 1st7 s PRO 44 N 1.35 2.05 0.00 4.03 0.04 -1.26 -5.08 135.00 136.13 1st7 s PRO 44 Ca 0.21 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1st7 s PRO 44 Cb -0.07 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1st7 s PRO 44 CO -0.06 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1st7 n GLY 45 N -2.41 -1.40 0.18 0.56 0.00 -1.26 -4.96 105.19 95.89 1st7 n GLY 45 Ca 0.07 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.62 0.98 0.17 -0.61 -5.35 -1.26 -4.08 119.36 107.58 1st7 n ILE 46 Ca 0.00 -0.34 0.10 0.00 -0.27 0.00 0.00 62.75 62.24 1st7 n ILE 46 Cb 0.00 -1.28 0.26 0.00 -1.74 0.00 0.00 39.64 36.88 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 -3.22 0.76 -2.37 4.28 1.16 -1.26 -4.81 117.46 111.99 1st7 n PHE 47 Ca -0.32 -0.38 -0.43 0.00 -1.87 0.00 0.00 57.45 54.46 1st7 n PHE 47 Cb 0.80 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.67 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 1.21 4.69 0.06 5.98 4.13 -1.26 -4.80 115.26 125.26 1st7 n ASN 48 Ca 0.20 -2.92 0.09 0.00 1.68 0.00 0.00 54.58 53.63 1st7 n ASN 48 Cb 0.49 -1.68 0.40 0.00 -1.54 0.00 0.00 39.78 37.45 1st7 n ASN 48 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 1st7 n MET 49 N 7.00 0.09 -0.08 3.52 0.00 -1.26 -1.47 117.12 124.92 1st7 n MET 49 Ca 0.47 0.32 -0.10 0.00 0.00 0.00 0.00 57.70 58.39 1st7 n MET 49 Cb 0.43 -1.66 -0.05 0.00 0.00 0.00 0.00 33.22 31.94 1st7 n MET 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1st7 h LYS 50 N 0.00 0.00 -0.21 3.17 3.64 -2.00 -3.41 116.57 117.76 1st7 h LYS 50 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1st7 h LYS 50 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1st7 h LYS 50 CO 0.00 0.35 0.15 -0.44 -2.27 0.00 0.00 179.45 177.24 1st7 h ASP 51 N -1.00 0.08 -0.53 4.20 5.19 -1.93 -1.23 116.42 121.20 1st7 h ASP 51 Ca -0.11 -0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.36 1st7 h ASP 51 Cb 0.74 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.18 1st7 h ASP 51 CO -0.07 0.05 0.24 0.03 -3.12 0.00 0.00 179.24 176.37 1st7 h ARG 52 N 0.09 0.44 0.07 3.56 2.47 -1.49 0.28 114.38 119.81 1st7 h ARG 52 Ca 0.10 -0.03 -0.23 0.00 -1.26 0.00 0.00 59.98 58.56 1st7 h ARG 52 Cb 0.27 -0.10 0.02 0.00 -1.65 0.00 0.00 29.97 28.51 1st7 h ARG 52 CO -0.01 0.29 -0.93 1.88 0.56 0.00 0.00 179.97 181.76 1st7 h TYR 53 N 0.45 0.80 -0.09 3.04 0.05 -1.61 -3.21 116.97 116.40 1st7 h TYR 53 Ca 0.25 -0.49 -0.17 0.00 0.05 0.00 0.00 58.73 58.38 1st7 h TYR 53 Cb 0.21 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1st7 h TYR 53 CO -0.13 1.33 -0.65 0.87 -1.05 0.00 0.00 178.16 178.53 1st7 h LYS 54 N 0.04 0.37 -0.02 4.88 6.56 -1.13 -0.06 116.57 127.21 1st7 h LYS 54 Ca -0.14 -0.27 -0.08 0.00 -1.06 0.00 0.00 60.65 59.11 1st7 h LYS 54 Cb 1.64 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 33.34 1st7 h LYS 54 CO 0.18 0.89 -0.35 2.35 -2.06 0.00 0.00 179.45 180.46 1st7 h TRP 55 N 0.26 0.04 0.00 -1.35 7.01 -0.59 -2.55 115.95 118.77 1st7 h TRP 55 Ca -0.01 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 1st7 h TRP 55 Cb 1.19 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.24 1st7 h TRP 55 CO 0.04 0.38 -0.27 1.49 -2.79 0.00 0.00 178.44 177.29 1st7 h GLU 56 N 0.03 0.00 0.00 2.65 4.81 -1.36 0.13 114.58 120.84 1st7 h GLU 56 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1st7 h GLU 56 Cb 0.64 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1st7 h GLU 56 CO 0.05 0.27 -0.10 0.00 -0.73 0.00 0.00 179.01 178.50 1st7 h ALA 57 N 1.73 1.06 0.00 2.92 0.00 -0.62 -1.47 119.26 122.89 1st7 h ALA 57 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1st7 h ALA 57 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1st7 h ALA 57 CO 0.04 0.12 -0.39 2.35 0.00 0.00 0.00 179.25 181.37 1st7 h TRP 58 N 0.00 0.00 0.00 0.00 7.01 -1.14 -3.39 115.95 118.43 1st7 h TRP 58 Ca -0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1st7 h TRP 58 Cb 0.50 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 1st7 h TRP 58 CO 0.00 0.65 -0.02 1.05 -2.79 0.00 0.00 178.44 177.33 1st7 h GLU 59 N -1.00 0.00 -0.04 2.65 -0.00 -0.72 -0.37 114.58 115.10 1st7 h GLU 59 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 1st7 h GLU 59 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.45 1st7 h GLU 59 CO -0.05 0.02 -0.03 -0.97 -0.00 0.00 0.00 179.01 177.98 1st7 h ASN 60 N 0.00 0.05 -0.80 3.06 -0.73 -1.46 -1.88 115.58 113.83 1st7 h ASN 60 Ca -0.00 -0.00 -0.41 0.00 1.87 0.00 0.00 56.30 57.76 1st7 h ASN 60 Cb 0.16 -0.01 -0.24 0.00 0.27 0.00 0.00 38.32 38.50 1st7 h ASN 60 CO 0.00 0.10 0.43 0.18 -0.37 0.00 0.00 177.43 177.77 1st7 n LEU 61 N -4.46 5.96 -0.10 0.34 4.32 -0.15 -4.86 117.00 118.06 1st7 n LEU 61 Ca -0.02 -3.64 0.04 0.00 -0.02 0.00 0.00 56.01 52.37 1st7 n LEU 61 Cb 0.14 -0.78 0.08 0.00 -1.62 0.00 0.00 43.42 41.24 1st7 n LEU 61 CO 0.35 1.10 0.22 2.29 -1.22 0.00 0.00 177.39 180.13 1st7 n LYS 62 N -1.09 -0.02 0.00 3.23 0.00 -0.71 -2.77 118.16 116.79 1st7 n LYS 62 Ca 0.51 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 59.24 1st7 n LYS 62 Cb 1.48 -0.67 0.00 0.00 -0.00 0.00 0.00 35.03 35.84 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 -1.14 1.00 1.07 2.58 0.00 -1.26 -1.96 105.19 105.47 1st7 n GLY 63 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 2.40 -0.28 1.61 2.85 -1.23 -4.66 118.16 118.85 1st7 n LYS 64 Ca 0.00 -2.11 0.03 0.00 -1.05 0.00 0.00 58.31 55.18 1st7 n LYS 64 Cb 0.09 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.06 1st7 n LYS 64 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1st7 n SER 65 N 1.33 -0.33 0.01 -5.58 3.41 -1.12 -1.48 113.62 109.86 1st7 n SER 65 Ca 0.19 1.30 0.14 0.00 -0.26 0.00 0.00 58.87 60.23 1st7 n SER 65 Cb 0.57 -0.37 0.57 0.00 -0.26 0.00 0.00 64.21 64.72 1st7 n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1st7 n GLN 66 N -5.19 0.03 -0.01 4.33 6.02 -1.26 -0.03 117.38 121.26 1st7 n GLN 66 Ca 0.11 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.91 1st7 n GLN 66 Cb 0.36 -1.53 -0.13 0.00 1.02 0.00 0.00 30.24 29.95 1st7 n GLN 66 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1st7 h GLU 67 N 0.00 0.20 0.10 -1.09 5.08 -1.62 -3.40 114.58 113.84 1st7 h GLU 67 Ca 0.00 -0.34 -0.35 0.00 -1.00 0.00 0.00 59.36 57.67 1st7 h GLU 67 Cb 0.52 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1st7 h GLU 67 CO 0.00 1.16 -1.96 -0.25 -1.00 0.00 0.00 179.01 176.96 1st7 n ASP 68 N -3.96 1.88 0.23 1.42 8.00 -0.95 -4.08 116.55 119.09 1st7 n ASP 68 Ca -0.27 0.24 -0.15 0.00 0.71 0.00 0.00 54.79 55.32 1st7 n ASP 68 Cb 0.87 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.25 -1.08 -0.96 2.24 0.00 -0.71 -2.08 119.26 116.92 1st7 h ALA 69 Ca -0.40 -0.15 0.30 0.00 0.00 0.00 0.00 54.91 54.65 1st7 h ALA 69 Cb 2.03 0.66 -0.17 0.00 0.00 0.00 0.00 17.79 20.31 1st7 h ALA 69 CO 0.08 -1.10 0.22 1.05 0.00 0.00 0.00 179.25 179.50 1st7 h GLU 70 N -0.82 0.07 0.03 0.00 4.11 -1.76 0.17 114.58 116.38 1st7 h GLU 70 Ca -0.05 -0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.08 1st7 h GLU 70 Cb 0.71 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1st7 h GLU 70 CO -0.06 0.05 -1.63 0.87 0.07 0.00 0.00 179.01 178.31 1st7 h LYS 71 N 0.07 0.07 0.07 1.06 1.57 -1.68 -3.26 116.57 114.47 1st7 h LYS 71 Ca 0.65 -0.12 -0.24 0.00 -1.87 0.00 0.00 60.65 59.06 1st7 h LYS 71 Cb 1.45 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 1st7 h LYS 71 CO -0.80 0.74 -1.09 0.93 -0.57 0.00 0.00 179.45 178.67 1st7 h GLU 72 N 0.02 0.27 0.21 3.15 4.39 -1.10 -3.39 114.58 118.13 1st7 h GLU 72 Ca -0.26 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.05 1st7 h GLU 72 Cb 1.99 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 30.76 1st7 h GLU 72 CO 0.10 1.13 -0.12 -0.92 -1.16 0.00 0.00 179.01 178.04 1st7 h TYR 73 N 0.11 -0.30 -0.94 4.33 3.20 -0.75 -2.71 116.97 119.90 1st7 h TYR 73 Ca -0.10 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.92 1st7 h TYR 73 Cb 1.78 0.10 -0.16 0.00 1.54 0.00 0.00 36.73 39.99 1st7 h TYR 73 CO 0.05 -0.18 -0.34 1.51 -1.64 0.00 0.00 178.16 177.56 1st7 n ILE 74 N -5.23 -0.47 -0.02 1.81 0.00 -1.23 -0.66 119.36 113.55 1st7 n ILE 74 Ca -0.09 2.20 -0.17 0.00 0.00 0.00 0.00 62.75 64.69 1st7 n ILE 74 Cb 0.15 -2.94 -0.07 0.00 0.00 0.00 0.00 39.64 36.78 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 1.44 0.30 -0.20 1.51 0.00 -1.72 -1.42 119.26 119.17 1st7 h ALA 75 Ca 0.36 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1st7 h ALA 75 Cb 0.59 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1st7 h ALA 75 CO -0.94 0.67 -0.26 1.37 0.00 0.00 0.00 179.25 180.09 1st7 h LEU 76 N 0.53 0.57 -1.59 0.00 8.10 -1.16 -3.11 115.31 118.64 1st7 h LEU 76 Ca -0.05 -0.51 -0.03 0.00 0.11 0.00 0.00 57.88 57.40 1st7 h LEU 76 Cb 1.40 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 41.45 1st7 h LEU 76 CO 0.16 0.96 -0.08 0.58 -4.11 0.00 0.00 178.44 175.95 1st7 h VAL 77 N 0.19 1.13 -0.94 0.15 2.07 -0.95 -1.26 116.25 116.65 1st7 h VAL 77 Ca 0.02 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1st7 h VAL 77 Cb 0.82 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1st7 h VAL 77 CO 0.06 0.17 0.62 -0.78 0.02 0.00 0.00 177.57 177.66 1st7 h ASP 78 N 0.16 1.05 1.50 0.57 3.58 -1.20 0.21 116.42 122.29 1st7 h ASP 78 Ca 0.04 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 1st7 h ASP 78 Cb 0.25 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1st7 h ASP 78 CO 0.01 0.75 -0.24 1.56 -2.88 0.00 0.00 179.24 178.44 1st7 h GLN 79 N 1.24 0.00 0.71 0.28 4.20 -1.32 0.16 115.11 120.37 1st7 h GLN 79 Ca 0.35 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.03 1st7 h GLN 79 Cb -0.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1st7 h GLN 79 CO -0.09 0.24 -0.34 -0.07 -0.67 0.00 0.00 178.83 177.90 1st7 h LEU 80 N 0.00 -0.80 -1.34 1.46 4.07 -0.69 -3.31 115.31 114.70 1st7 h LEU 80 Ca -0.00 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 1st7 h LEU 80 Cb 1.05 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1st7 h LEU 80 CO 0.03 -0.42 -0.20 0.40 -1.08 0.00 0.00 178.44 177.17 1st7 h ILE 81 N -1.26 1.20 -0.94 1.22 2.04 -0.48 0.29 117.51 119.58 1st7 h ILE 81 Ca -0.10 -0.92 0.20 0.00 1.00 0.00 0.00 64.86 65.03 1st7 h ILE 81 Cb 0.73 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 1st7 h ILE 81 CO 0.16 0.28 0.61 0.00 0.00 0.00 0.00 178.15 179.20 1st7 h ALA 82 N 1.62 2.01 0.14 1.87 0.00 -1.09 0.11 119.26 123.91 1st7 h ALA 82 Ca 0.03 0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 1st7 h ALA 82 Cb 0.46 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1st7 h ALA 82 CO 0.03 -0.32 -1.75 0.87 0.00 0.00 0.00 179.25 178.08 1st7 h LYS 83 N 0.55 0.30 0.00 0.00 1.57 -1.26 -3.42 116.57 114.31 1st7 h LYS 83 Ca 0.51 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1st7 h LYS 83 Cb 1.06 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1st7 h LYS 83 CO -0.25 1.25 -1.08 0.66 -0.57 0.00 0.00 179.45 179.46 1st7 n TYR 84 N -3.66 0.10 0.11 -1.35 4.01 0.89 -4.24 117.16 113.01 1st7 n TYR 84 Ca -0.28 0.03 -0.15 0.00 -0.16 0.00 0.00 57.90 57.34 1st7 n TYR 84 Cb 1.01 -0.26 -0.08 0.00 -0.31 0.00 0.00 39.34 39.71 1st7 n TYR 84 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1st7 h SER 85 N 0.00 -1.34 0.00 7.72 4.64 -1.03 -3.30 113.55 120.24 1st7 h SER 85 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1st7 h SER 85 Cb 0.65 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1st7 h SER 85 CO 0.00 -0.51 0.00 -1.20 -0.87 0.00 0.00 176.83 174.25