#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 0.08 -1.34 0.02 -1.97 0.28 113.55 110.63 1st7 h SER 2 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1st7 h SER 2 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 1st7 h SER 2 CO 0.00 0.08 -0.83 1.56 -1.14 0.00 0.00 176.83 176.50 1st7 h GLN 3 N 0.00 0.42 -0.59 3.45 1.08 -2.00 -3.29 115.11 114.18 1st7 h GLN 3 Ca -0.00 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1st7 h GLN 3 Cb 0.31 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 1st7 h GLN 3 CO 0.01 1.22 0.37 1.25 -0.95 0.00 0.00 178.83 180.74 1st7 h LEU 4 N -0.12 0.69 -1.00 1.46 5.85 -1.77 -1.94 115.31 118.48 1st7 h LEU 4 Ca -0.13 -0.03 0.34 0.00 0.84 0.00 0.00 57.88 58.89 1st7 h LEU 4 Cb 1.58 -0.17 -0.15 0.00 0.37 0.00 0.00 40.66 42.28 1st7 h LEU 4 CO 0.16 0.52 0.57 0.15 -0.34 0.00 0.00 178.44 179.49 1st7 h PHE 5 N 0.79 0.92 -0.02 1.25 3.57 -1.08 0.90 116.94 123.26 1st7 h PHE 5 Ca 0.21 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1st7 h PHE 5 Cb -0.06 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.45 1st7 h PHE 5 CO -0.03 -0.22 -0.37 0.93 -2.23 0.00 0.00 178.31 176.39 1st7 h GLU 6 N 0.28 0.30 -0.99 1.11 5.08 -1.42 0.22 114.58 119.15 1st7 h GLU 6 Ca 0.75 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.87 1st7 h GLU 6 Cb 1.76 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 31.02 1st7 h GLU 6 CO -0.63 0.97 0.65 0.93 -1.00 0.00 0.00 179.01 179.92 1st7 h GLU 7 N -0.27 1.20 0.05 2.33 5.08 -0.91 -1.83 114.58 120.23 1st7 h GLU 7 Ca -0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1st7 h GLU 7 Cb 1.08 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1st7 h GLU 7 CO 0.07 0.80 -0.02 0.87 -1.00 0.00 0.00 179.01 179.73 1st7 h LYS 8 N 1.24 -0.07 -0.01 2.33 1.79 -0.96 -3.22 116.57 117.67 1st7 h LYS 8 Ca 0.40 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1st7 h LYS 8 Cb 0.02 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1st7 h LYS 8 CO -0.13 0.23 -0.00 0.00 -1.08 0.00 0.00 179.45 178.47 1st7 h ALA 9 N 0.57 0.01 0.00 3.86 0.00 -0.43 -1.76 119.26 121.51 1st7 h ALA 9 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1st7 h ALA 9 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1st7 h ALA 9 CO 0.01 -0.28 0.00 1.63 0.00 0.00 0.00 179.25 180.61 1st7 n LYS 10 N -4.88 0.18 0.09 0.00 5.02 -0.73 -0.95 118.16 116.87 1st7 n LYS 10 Ca -0.08 0.51 -0.05 0.00 -2.02 0.00 0.00 58.31 56.67 1st7 n LYS 10 Cb 0.22 -1.91 -0.02 0.00 -0.02 0.00 0.00 35.03 33.29 1st7 n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1st7 h ALA 11 N 2.16 -0.32 0.00 7.82 0.00 -1.49 -3.36 119.26 124.07 1st7 h ALA 11 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1st7 h ALA 11 Cb 0.22 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1st7 h ALA 11 CO 0.00 -0.30 -0.26 -0.39 0.00 0.00 0.00 179.25 178.30 1st7 h VAL 12 N -1.05 1.07 0.00 0.00 -1.51 -0.38 0.32 116.25 114.70 1st7 h VAL 12 Ca -0.03 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1st7 h VAL 12 Cb 0.24 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1st7 h VAL 12 CO 0.05 0.25 0.00 0.59 -1.23 0.00 0.00 177.57 177.24 1st7 n ASN 13 N -4.06 0.72 -0.07 4.19 3.02 -0.13 -3.85 115.26 115.08 1st7 n ASN 13 Ca -0.02 0.61 -0.08 0.00 -0.03 0.00 0.00 54.58 55.06 1st7 n ASN 13 Cb 0.32 -0.79 -0.10 0.00 -0.61 0.00 0.00 39.78 38.61 1st7 n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1st7 n GLU 14 N -2.22 1.40 -1.15 3.52 2.13 -0.14 -4.96 120.64 119.22 1st7 n GLU 14 Ca 0.04 0.02 -0.36 0.00 0.66 0.00 0.00 57.16 57.52 1st7 n GLU 14 Cb 0.35 -1.35 0.05 0.00 0.27 0.00 0.00 31.44 30.76 1st7 n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1st7 n LEU 15 N -2.65 -1.82 0.12 4.31 4.77 -0.08 -4.89 117.00 116.77 1st7 n LEU 15 Ca -0.25 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.35 1st7 n LEU 15 Cb 0.91 -1.03 0.45 0.00 -2.33 0.00 0.00 43.42 41.42 1st7 n LEU 15 CO 0.26 -4.20 0.88 -0.81 -1.33 0.00 0.00 177.39 172.19 1st7 n PRO 16 N 0.39 0.24 -3.51 3.23 -0.04 -1.26 -3.05 135.00 130.99 1st7 n PRO 16 Ca 0.07 0.32 -0.34 0.00 -0.04 0.00 0.00 63.50 63.51 1st7 n PRO 16 Cb 0.51 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 1st7 n PRO 16 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1st7 n THR 17 N -2.29 3.13 -1.71 0.52 -1.04 -1.23 -5.07 114.28 106.60 1st7 n THR 17 Ca 0.04 -5.25 -0.40 0.00 -2.04 0.00 0.00 64.05 56.40 1st7 n THR 17 Cb 0.34 -2.26 0.02 0.00 -1.82 0.00 0.00 70.33 66.62 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 1.79 1.79 -2.04 -2.82 5.02 -1.17 -4.76 118.16 115.98 1st7 n LYS 18 Ca 0.24 0.65 -0.40 0.00 -2.02 0.00 0.00 58.31 56.77 1st7 n LYS 18 Cb 0.37 -2.43 -0.01 0.00 -0.02 0.00 0.00 35.03 32.94 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 -2.45 4.21 0.69 1.97 0.02 -1.26 -4.93 135.00 133.24 1st7 s PRO 19 Ca 0.65 2.27 -0.15 0.00 0.02 0.00 0.00 61.00 63.79 1st7 s PRO 19 Cb -0.47 -2.97 0.01 0.00 0.02 0.00 0.00 34.50 31.09 1st7 s PRO 19 CO 0.55 -0.33 1.17 -1.12 -0.33 0.00 0.00 177.00 176.93 1st7 s SER 20 N -0.48 4.68 0.19 2.53 0.01 -1.26 -4.54 113.70 114.83 1st7 s SER 20 Ca 0.52 2.22 -0.24 0.00 1.31 0.00 0.00 55.95 59.75 1st7 s SER 20 Cb -0.41 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.33 1st7 s SER 20 CO 0.54 -1.93 1.55 0.74 0.41 0.00 0.00 173.24 174.55 1st7 h THR 21 N -0.02 0.01 -0.07 1.44 2.02 -1.99 0.97 112.91 115.28 1st7 h THR 21 Ca -0.48 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.55 1st7 h THR 21 Cb 1.28 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1st7 h THR 21 CO 0.52 0.00 -0.65 0.44 0.37 0.00 0.00 175.52 176.20 1st7 h ASP 22 N -0.04 0.33 0.01 4.18 5.19 -2.02 -3.29 116.42 120.77 1st7 h ASP 22 Ca 0.25 -0.20 -0.09 0.00 -0.62 0.00 0.00 57.03 56.37 1st7 h ASP 22 Cb 0.52 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 39.94 1st7 h ASP 22 CO -0.92 0.89 -0.35 -0.33 -3.12 0.00 0.00 179.24 175.41 1st7 h GLU 23 N 0.20 0.22 -1.10 3.56 5.08 -1.57 -3.25 114.58 117.73 1st7 h GLU 23 Ca -0.01 -0.25 0.35 0.00 -1.00 0.00 0.00 59.36 58.45 1st7 h GLU 23 Cb 1.18 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.37 1st7 h GLU 23 CO 0.10 0.99 0.67 1.25 -1.00 0.00 0.00 179.01 181.02 1st7 h LEU 24 N -0.43 0.42 -0.04 1.33 5.85 -0.95 -0.98 115.31 120.50 1st7 h LEU 24 Ca -0.05 0.16 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 1st7 h LEU 24 Cb 1.12 0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.28 1st7 h LEU 24 CO 0.07 -0.13 -0.70 0.17 -0.34 0.00 0.00 178.44 177.51 1st7 h LEU 25 N 0.25 0.69 -0.55 2.25 8.10 -1.63 0.17 115.31 124.60 1st7 h LEU 25 Ca 0.74 -0.71 -0.11 0.00 0.11 0.00 0.00 57.88 57.92 1st7 h LEU 25 Cb 1.94 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 41.94 1st7 h LEU 25 CO -0.51 1.30 -0.51 1.05 -4.11 0.00 0.00 178.44 175.66 1st7 h GLU 26 N 0.15 0.00 -0.19 0.17 4.11 -1.55 -2.21 114.58 115.06 1st7 h GLU 26 Ca -0.07 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.17 1st7 h GLU 26 Cb 1.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1st7 h GLU 26 CO 0.14 0.51 -0.63 -0.07 0.07 0.00 0.00 179.01 179.04 1st7 h LEU 27 N 0.00 0.76 -0.15 3.06 -0.00 -1.18 -3.05 115.31 114.76 1st7 h LEU 27 Ca -0.01 -0.44 0.05 0.00 -0.00 0.00 0.00 57.88 57.48 1st7 h LEU 27 Cb 1.16 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 41.55 1st7 h LEU 27 CO 0.07 1.20 -0.16 0.22 -0.00 0.00 0.00 178.44 179.77 1st7 h TYR 28 N 0.49 -0.41 -0.55 1.13 5.03 -0.48 0.51 116.97 122.69 1st7 h TYR 28 Ca -0.01 0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.44 1st7 h TYR 28 Cb 1.21 0.21 -0.10 0.00 1.55 0.00 0.00 36.73 39.60 1st7 h TYR 28 CO 0.06 -0.23 -0.06 0.00 -1.32 0.00 0.00 178.16 176.61 1st7 h ALA 29 N 0.87 0.46 -0.17 1.82 0.00 -1.37 0.31 119.26 121.19 1st7 h ALA 29 Ca 0.10 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1st7 h ALA 29 Cb 0.34 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1st7 h ALA 29 CO -0.26 -0.41 -0.05 -0.07 0.00 0.00 0.00 179.25 178.46 1st7 h LEU 30 N 0.06 0.34 -0.04 0.00 4.07 -1.43 -1.27 115.31 117.04 1st7 h LEU 30 Ca 0.28 -0.38 0.03 0.00 0.08 0.00 0.00 57.88 57.89 1st7 h LEU 30 Cb 0.43 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 1st7 h LEU 30 CO -0.51 0.64 -0.20 0.22 -1.08 0.00 0.00 178.44 177.50 1st7 h TYR 31 N 0.03 -0.53 0.00 1.13 3.20 -0.36 -1.47 116.97 118.97 1st7 h TYR 31 Ca 0.04 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1st7 h TYR 31 Cb 0.49 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1st7 h TYR 31 CO 0.05 -0.29 -0.25 0.87 -1.64 0.00 0.00 178.16 176.91 1st7 h LYS 32 N -0.31 0.00 0.26 1.82 1.79 -0.47 -0.01 116.57 119.65 1st7 h LYS 32 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1st7 h LYS 32 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1st7 h LYS 32 CO -0.22 0.25 -0.12 1.96 -1.08 0.00 0.00 179.45 180.24 1st7 h GLN 33 N 0.00 -0.33 0.00 3.15 1.08 -0.36 -1.94 115.11 116.70 1st7 h GLN 33 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1st7 h GLN 33 Cb 0.44 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1st7 h GLN 33 CO 0.03 -0.09 -0.35 0.00 -0.95 0.00 0.00 178.83 177.48 1st7 n ALA 34 N -2.36 3.03 0.09 3.87 0.00 -0.63 0.12 120.51 124.63 1st7 n ALA 34 Ca -0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1st7 n ALA 34 Cb 0.22 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 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 0.85 0.00 0.00 2.02 -1.03 -3.41 112.91 111.35 1st7 h THR 35 Ca 0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1st7 h THR 35 Cb 0.55 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1st7 h THR 35 CO 0.00 0.18 -0.27 0.58 0.37 0.00 0.00 175.52 176.37 1st7 h VAL 36 N -0.74 0.00 0.00 3.16 2.07 -1.37 -3.49 116.25 115.87 1st7 h VAL 36 Ca -0.03 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1st7 h VAL 36 Cb 0.50 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1st7 h VAL 36 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1st7 n GLY 37 N 1.70 1.85 2.65 2.17 0.00 0.12 -5.05 105.19 108.63 1st7 n GLY 37 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1st7 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1st7 n ASP 38 N 0.00 2.96 -4.68 1.61 9.92 -1.26 -4.41 116.55 120.68 1st7 n ASP 38 Ca 0.00 -2.59 -0.42 0.00 -0.53 0.00 0.00 54.79 51.24 1st7 n ASP 38 Cb 0.00 0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 40.68 1st7 n ASP 38 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1st7 s ASN 39 N -3.05 6.71 -0.08 -2.24 4.22 0.19 -4.72 114.94 115.96 1st7 s ASN 39 Ca 0.02 2.27 -0.01 0.00 -2.14 0.00 0.00 52.86 53.00 1st7 s ASN 39 Cb -0.00 -2.55 -0.00 0.00 1.28 0.00 0.00 41.25 39.97 1st7 s ASN 39 CO 0.01 -0.85 -0.01 -0.78 -2.04 0.00 0.00 177.10 173.43 1st7 h ASP 40 N 8.57 0.00 -4.02 3.54 3.58 -1.92 -3.47 116.42 122.71 1st7 h ASP 40 Ca -0.40 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.58 1st7 h ASP 40 Cb 1.18 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.30 1st7 h ASP 40 CO 0.93 0.41 0.28 -0.54 -2.88 0.00 0.00 179.24 177.44 1st7 s LYS 41 N -1.48 2.70 -0.29 0.28 1.02 -1.26 -5.00 119.74 115.70 1st7 s LYS 41 Ca -0.01 0.11 0.20 0.00 0.02 0.00 0.00 55.97 56.29 1st7 s LYS 41 Cb 0.00 -2.15 0.48 0.00 -0.52 0.00 0.00 37.83 35.65 1st7 s LYS 41 CO 0.02 -0.98 1.12 -1.91 -0.92 0.00 0.00 175.35 172.68 1st7 n GLU 42 N -2.84 1.50 -3.24 1.68 2.13 -1.26 -4.99 120.64 113.62 1st7 n GLU 42 Ca 0.06 -3.11 -0.15 0.00 0.66 0.00 0.00 57.16 54.62 1st7 n GLU 42 Cb 0.58 -1.22 -0.06 0.00 0.27 0.00 0.00 31.44 31.02 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 -3.00 0.80 1.14 5.31 2.20 -1.26 -5.12 119.74 119.81 1st7 s LYS 43 Ca 0.25 -1.10 -0.19 0.00 -0.36 0.00 0.00 55.97 54.57 1st7 s LYS 43 Cb 0.38 -0.65 0.27 0.00 -1.51 0.00 0.00 37.83 36.32 1st7 s LYS 43 CO -0.03 -1.26 1.20 -1.25 -0.36 0.00 0.00 175.35 173.65 1st7 s PRO 44 N 1.08 -0.80 0.41 4.03 0.04 -1.26 -5.07 135.00 133.43 1st7 s PRO 44 Ca 0.23 -0.29 -0.07 0.00 0.04 0.00 0.00 61.00 60.90 1st7 s PRO 44 Cb -0.08 -1.67 0.10 0.00 0.04 0.00 0.00 34.50 32.89 1st7 s PRO 44 CO -0.07 -3.39 0.49 0.41 0.04 0.00 0.00 177.00 174.48 1st7 n GLY 45 N -2.02 -1.67 0.13 0.56 0.00 -1.26 -4.97 105.19 95.96 1st7 n GLY 45 Ca 0.15 -1.62 -0.26 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 -2.93 1.53 0.33 -0.61 -5.35 -1.26 -4.17 119.36 106.90 1st7 n ILE 46 Ca 0.06 -0.25 0.11 0.00 -0.27 0.00 0.00 62.75 62.41 1st7 n ILE 46 Cb 0.23 -1.95 0.20 0.00 -1.74 0.00 0.00 39.64 36.37 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 0.44 -2.40 4.28 1.16 -1.26 -4.85 117.46 110.51 1st7 n PHE 47 Ca -0.46 -0.23 -0.37 0.00 -1.87 0.00 0.00 57.45 54.51 1st7 n PHE 47 Cb 0.80 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.65 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 6.16 0.23 5.98 3.84 -1.26 -4.81 114.94 123.62 1st7 s ASN 48 Ca 0.36 -1.86 -0.05 0.00 0.21 0.00 0.00 52.86 51.52 1st7 s ASN 48 Cb 0.22 -2.58 0.23 0.00 -0.55 0.00 0.00 41.25 38.57 1st7 s ASN 48 CO 0.30 -1.86 1.76 -0.03 -2.79 0.00 0.00 177.10 174.48 1st7 h MET 49 N 8.95 1.02 -0.04 0.43 1.85 -1.90 -1.08 114.93 124.16 1st7 h MET 49 Ca 0.30 -0.23 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1st7 h MET 49 Cb 0.93 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 32.82 1st7 h MET 49 CO 1.37 0.90 0.01 0.87 -0.40 0.00 0.00 176.91 179.66 1st7 h LYS 50 N 0.97 0.06 -0.65 0.39 6.56 -2.00 -0.86 116.57 121.04 1st7 h LYS 50 Ca 0.21 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.76 1st7 h LYS 50 Cb 0.34 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.96 1st7 h LYS 50 CO 0.00 0.30 0.33 -0.44 -2.06 0.00 0.00 179.45 177.57 1st7 h ASP 51 N -0.19 0.83 -0.42 0.86 3.32 -1.95 -2.71 116.42 116.17 1st7 h ASP 51 Ca 0.01 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1st7 h ASP 51 Cb 0.27 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1st7 h ASP 51 CO 0.00 0.72 0.18 0.03 -1.72 0.00 0.00 179.24 178.44 1st7 h ARG 52 N 0.89 0.35 -0.17 3.56 3.08 -1.00 0.50 114.38 121.59 1st7 h ARG 52 Ca 0.22 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 1st7 h ARG 52 Cb 0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1st7 h ARG 52 CO -0.03 0.23 -0.57 0.10 -1.07 0.00 0.00 179.97 178.63 1st7 h TYR 53 N 0.36 0.66 -0.36 3.04 -0.00 -1.15 -0.53 116.97 119.00 1st7 h TYR 53 Ca 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 58.73 58.66 1st7 h TYR 53 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 36.73 36.73 1st7 h TYR 53 CO -0.13 0.97 0.16 0.87 -0.00 0.00 0.00 178.16 180.03 1st7 h LYS 54 N 0.40 0.52 -0.08 0.10 1.57 -1.34 -1.92 116.57 115.83 1st7 h LYS 54 Ca 0.00 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1st7 h LYS 54 Cb 1.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1st7 h LYS 54 CO 0.11 0.49 -0.26 2.35 -0.57 0.00 0.00 179.45 181.57 1st7 h TRP 55 N 0.44 0.15 -0.20 -1.35 7.01 -0.84 -2.25 115.95 118.91 1st7 h TRP 55 Ca 0.12 -0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.98 1st7 h TRP 55 Cb 0.15 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1st7 h TRP 55 CO -0.01 0.39 -0.38 1.49 -2.79 0.00 0.00 178.44 177.15 1st7 h GLU 56 N 0.13 0.43 0.00 2.65 4.81 -0.83 0.56 114.58 122.33 1st7 h GLU 56 Ca 0.02 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1st7 h GLU 56 Cb 0.53 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1st7 h GLU 56 CO 0.04 0.75 -0.23 0.00 -0.73 0.00 0.00 179.01 178.84 1st7 h ALA 57 N 1.23 0.99 0.14 2.92 0.00 -0.96 -3.13 119.26 120.45 1st7 h ALA 57 Ca 0.04 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 1st7 h ALA 57 Cb 0.83 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1st7 h ALA 57 CO 0.07 0.29 -1.12 2.35 0.00 0.00 0.00 179.25 180.83 1st7 h TRP 58 N 0.00 0.53 0.00 0.00 7.01 -0.83 -3.34 115.95 119.32 1st7 h TRP 58 Ca -0.00 -0.39 -0.01 0.00 2.11 0.00 0.00 58.89 60.60 1st7 h TRP 58 Cb 0.80 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.84 1st7 h TRP 58 CO 0.00 1.44 -0.04 1.05 -2.79 0.00 0.00 178.44 178.10 1st7 h GLU 59 N -0.31 0.00 -0.45 2.65 -0.00 -0.95 0.43 114.58 115.95 1st7 h GLU 59 Ca -0.22 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 59.24 1st7 h GLU 59 Cb 1.73 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.46 1st7 h GLU 59 CO 0.12 0.04 0.31 -0.97 -0.00 0.00 0.00 179.01 178.51 1st7 h ASN 60 N 0.00 0.12 -0.02 3.06 -1.24 -1.66 -2.83 115.58 113.00 1st7 h ASN 60 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1st7 h ASN 60 Cb 0.31 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1st7 h ASN 60 CO 0.01 0.07 -0.01 0.18 -1.29 0.00 0.00 177.43 176.39 1st7 n LEU 61 N -4.44 2.41 0.11 0.34 4.77 0.12 -4.93 117.00 115.38 1st7 n LEU 61 Ca 0.07 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1st7 n LEU 61 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1st7 n LEU 61 CO 0.35 0.43 0.43 2.29 -1.33 0.00 0.00 177.39 179.56 1st7 n LYS 62 N 0.94 0.01 -0.29 3.23 2.85 -1.07 -2.05 118.16 121.77 1st7 n LYS 62 Ca 0.10 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.68 1st7 n LYS 62 Cb 0.43 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 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 -0.85 0.97 0.87 2.58 0.00 -1.26 -0.63 105.19 106.87 1st7 n GLY 63 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.09 -0.92 1.61 0.00 -0.87 -4.88 118.16 113.19 1st7 n LYS 64 Ca 0.00 0.04 -0.14 0.00 -0.00 0.00 0.00 58.31 58.21 1st7 n LYS 64 Cb 0.48 -0.66 -0.02 0.00 -0.00 0.00 0.00 35.03 34.84 1st7 n LYS 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1st7 n SER 65 N -3.30 5.99 0.07 -5.58 7.64 -1.18 -2.96 113.62 114.30 1st7 n SER 65 Ca -0.07 -2.83 -0.07 0.00 1.01 0.00 0.00 58.87 56.90 1st7 n SER 65 Cb 0.46 -1.17 0.07 0.00 -1.01 0.00 0.00 64.21 62.56 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 1.88 0.29 -0.65 1.43 4.15 -1.82 0.12 115.11 120.51 1st7 h GLN 66 Ca 0.22 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1st7 h GLN 66 Cb 0.99 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 1st7 h GLN 66 CO 0.50 0.87 0.30 1.05 -1.93 0.00 0.00 178.83 179.62 1st7 h GLU 67 N 0.20 0.92 0.07 1.69 4.11 -1.92 -1.86 114.58 117.80 1st7 h GLU 67 Ca -0.02 -0.12 -0.25 0.00 0.07 0.00 0.00 59.36 59.04 1st7 h GLU 67 Cb 1.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1st7 h GLU 67 CO 0.11 0.72 -1.29 -0.44 0.07 0.00 0.00 179.01 178.18 1st7 h ASP 68 N 0.91 0.24 -0.59 3.06 3.32 -1.81 -3.38 116.42 118.18 1st7 h ASP 68 Ca 0.22 -0.78 0.06 0.00 0.02 0.00 0.00 57.03 56.55 1st7 h ASP 68 Cb 0.11 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.50 1st7 h ASP 68 CO -0.03 1.55 -0.49 0.00 -1.72 0.00 0.00 179.24 178.54 1st7 h ALA 69 N -0.15 -0.61 -1.01 3.45 0.00 -0.53 0.51 119.26 120.92 1st7 h ALA 69 Ca -0.30 0.05 0.24 0.00 0.00 0.00 0.00 54.91 54.90 1st7 h ALA 69 Cb 1.59 1.19 -0.10 0.00 0.00 0.00 0.00 17.79 20.47 1st7 h ALA 69 CO -0.02 -0.90 0.64 1.05 0.00 0.00 0.00 179.25 180.02 1st7 h GLU 70 N -0.19 0.48 0.02 0.00 4.11 -1.56 0.15 114.58 117.60 1st7 h GLU 70 Ca 0.10 -0.03 -0.29 0.00 0.07 0.00 0.00 59.36 59.21 1st7 h GLU 70 Cb 0.44 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1st7 h GLU 70 CO -0.65 0.32 -1.63 0.87 0.07 0.00 0.00 179.01 177.98 1st7 h LYS 71 N 0.49 0.05 0.00 1.06 1.57 -1.59 -3.36 116.57 114.79 1st7 h LYS 71 Ca 0.58 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 59.15 1st7 h LYS 71 Cb 1.31 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1st7 h LYS 71 CO -0.32 0.67 -0.88 0.93 -0.57 0.00 0.00 179.45 179.28 1st7 h GLU 72 N 0.01 0.00 -0.21 3.15 4.39 -0.60 -3.38 114.58 117.94 1st7 h GLU 72 Ca -0.26 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1st7 h GLU 72 Cb 1.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1st7 h GLU 72 CO 0.09 0.47 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.50 1st7 h TYR 73 N 0.00 0.41 -0.83 4.33 3.20 -0.85 -2.81 116.97 120.42 1st7 h TYR 73 Ca -0.06 -0.07 0.15 0.00 3.14 0.00 0.00 58.73 61.88 1st7 h TYR 73 Cb 1.50 -0.11 -0.15 0.00 1.54 0.00 0.00 36.73 39.51 1st7 h TYR 73 CO 0.00 0.57 -0.32 0.97 -1.64 0.00 0.00 178.16 177.74 1st7 h ILE 74 N 0.14 0.10 0.00 1.81 -0.00 -1.73 -0.47 117.51 117.35 1st7 h ILE 74 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 64.86 64.85 1st7 h ILE 74 Cb 0.40 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 37.31 1st7 h ILE 74 CO 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 178.15 177.84 1st7 h ALA 75 N 1.42 1.02 0.09 0.18 0.00 -1.71 -1.32 119.26 118.93 1st7 h ALA 75 Ca 0.33 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1st7 h ALA 75 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1st7 h ALA 75 CO -0.86 0.40 -0.04 -0.07 0.00 0.00 0.00 179.25 178.68 1st7 h LEU 76 N 0.00 -0.10 -1.08 0.00 3.38 -1.14 -3.33 115.31 113.04 1st7 h LEU 76 Ca -0.00 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 1st7 h LEU 76 Cb 0.83 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1st7 h LEU 76 CO 0.04 0.42 -0.37 0.58 0.09 0.00 0.00 178.44 179.21 1st7 h VAL 77 N -0.66 0.95 -0.85 1.22 2.07 -0.89 -0.52 116.25 117.58 1st7 h VAL 77 Ca -0.01 -1.42 0.10 0.00 0.82 0.00 0.00 66.70 66.18 1st7 h VAL 77 Cb 0.53 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 1st7 h VAL 77 CO 0.02 0.36 0.49 0.44 0.02 0.00 0.00 177.57 178.90 1st7 h ASP 78 N 0.00 0.70 1.31 0.57 3.32 -1.38 0.10 116.42 121.04 1st7 h ASP 78 Ca -0.00 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1st7 h ASP 78 Cb 0.81 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1st7 h ASP 78 CO 0.05 0.39 -0.57 1.56 -1.72 0.00 0.00 179.24 178.95 1st7 h GLN 79 N 0.81 0.00 0.42 3.56 4.20 -1.25 -2.53 115.11 120.32 1st7 h GLN 79 Ca 0.41 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.10 1st7 h GLN 79 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1st7 h GLN 79 CO -0.25 0.57 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.21 1st7 h LEU 80 N 0.00 -0.47 -1.25 1.46 4.07 -0.81 -3.29 115.31 115.02 1st7 h LEU 80 Ca -0.01 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 57.77 1st7 h LEU 80 Cb 1.38 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.23 1st7 h LEU 80 CO 0.07 -0.09 -0.30 0.40 -1.08 0.00 0.00 178.44 177.44 1st7 h ILE 81 N -0.92 1.24 -0.91 1.22 2.04 -0.85 0.28 117.51 119.62 1st7 h ILE 81 Ca -0.06 -1.15 0.21 0.00 1.00 0.00 0.00 64.86 64.87 1st7 h ILE 81 Cb 0.56 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 1st7 h ILE 81 CO 0.09 0.34 0.61 0.00 0.00 0.00 0.00 178.15 179.19 1st7 h ALA 82 N 1.58 2.29 0.04 1.87 0.00 -1.56 -0.23 119.26 123.25 1st7 h ALA 82 Ca 0.02 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1st7 h ALA 82 Cb 0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1st7 h ALA 82 CO 0.04 -0.58 -1.10 0.87 0.00 0.00 0.00 179.25 178.48 1st7 h LYS 83 N 0.35 0.08 0.00 0.00 1.57 -1.14 -3.44 116.57 114.00 1st7 h LYS 83 Ca 0.47 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1st7 h LYS 83 Cb 1.26 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1st7 h LYS 83 CO -0.17 1.07 -0.81 0.66 -0.57 0.00 0.00 179.45 179.64 1st7 n TYR 84 N -4.27 0.12 -0.12 -1.35 4.01 0.83 -4.11 117.16 112.27 1st7 n TYR 84 Ca -0.26 0.03 -0.08 0.00 -0.16 0.00 0.00 57.90 57.44 1st7 n TYR 84 Cb 0.73 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.08 0.00 7.72 0.87 -1.30 -3.27 113.55 116.49 1st7 h SER 85 Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1st7 h SER 85 Cb 0.59 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1st7 h SER 85 CO 0.00 -0.32 0.00 -0.24 -0.53 0.00 0.00 176.83 175.74