#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1st7 n SER 2 N 0.00 1.46 -0.08 -1.34 7.64 -1.26 -4.30 113.62 115.73 1st7 n SER 2 Ca 0.00 -1.96 -0.10 0.00 1.01 0.00 0.00 58.87 57.83 1st7 n SER 2 Cb 0.00 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 1st7 n SER 2 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1st7 h GLN 3 N 1.63 0.39 -0.14 1.43 4.20 -1.99 -0.20 115.11 120.43 1st7 h GLN 3 Ca 0.00 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1st7 h GLN 3 Cb 0.37 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1st7 h GLN 3 CO 0.00 0.35 -0.53 1.37 -0.67 0.00 0.00 178.83 179.35 1st7 h LEU 4 N 0.33 0.44 0.19 1.46 -0.00 -1.94 -1.46 115.31 114.34 1st7 h LEU 4 Ca 0.10 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 57.74 1st7 h LEU 4 Cb 0.08 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1st7 h LEU 4 CO -0.01 0.89 -0.09 0.15 -0.00 0.00 0.00 178.44 179.38 1st7 h PHE 5 N 0.31 -0.24 0.00 0.17 3.04 -1.66 0.20 116.94 118.76 1st7 h PHE 5 Ca 0.01 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1st7 h PHE 5 Cb 1.04 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.62 1st7 h PHE 5 CO 0.03 -0.12 -0.11 0.93 -2.02 0.00 0.00 178.31 177.02 1st7 h GLU 6 N -0.29 0.00 0.31 1.11 5.08 -1.06 0.21 114.58 119.94 1st7 h GLU 6 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1st7 h GLU 6 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1st7 h GLU 6 CO 0.04 0.11 -0.15 1.49 -1.00 0.00 0.00 179.01 179.50 1st7 h GLU 7 N 0.00 -0.41 0.00 2.33 4.81 -0.98 -3.33 114.58 117.00 1st7 h GLU 7 Ca -0.00 0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 1st7 h GLU 7 Cb 0.92 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1st7 h GLU 7 CO 0.01 -0.16 -1.09 0.87 -0.73 0.00 0.00 179.01 177.92 1st7 h LYS 8 N -0.60 0.00 -0.23 1.92 1.79 -0.41 -3.30 116.57 115.73 1st7 h LYS 8 Ca -0.04 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 1st7 h LYS 8 Cb 0.44 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1st7 h LYS 8 CO 0.07 0.38 -0.08 0.00 -1.08 0.00 0.00 179.45 178.75 1st7 h ALA 9 N 1.44 0.32 -0.11 3.86 0.00 -0.74 -1.04 119.26 122.99 1st7 h ALA 9 Ca -0.10 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1st7 h ALA 9 Cb 1.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1st7 h ALA 9 CO 0.06 0.14 0.11 0.87 0.00 0.00 0.00 179.25 180.42 1st7 h LYS 10 N 0.19 0.00 0.17 0.00 1.79 -1.73 -1.63 116.57 115.37 1st7 h LYS 10 Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1st7 h LYS 10 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1st7 h LYS 10 CO 0.03 0.00 -0.08 0.00 -1.08 0.00 0.00 179.45 178.32 1st7 h ALA 11 N 1.89 -0.23 -0.14 3.86 0.00 -1.47 -3.31 119.26 119.87 1st7 h ALA 11 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 11 Cb 0.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1st7 h ALA 11 CO -0.00 -0.25 -0.08 -0.39 0.00 0.00 0.00 179.25 178.53 1st7 h VAL 12 N -0.98 1.14 0.00 0.00 -1.51 -0.84 0.88 116.25 114.95 1st7 h VAL 12 Ca -0.02 -0.60 -0.07 0.00 -1.23 0.00 0.00 66.70 64.78 1st7 h VAL 12 Cb 0.43 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1st7 h VAL 12 CO 0.04 0.19 -0.32 0.78 -1.23 0.00 0.00 177.57 177.02 1st7 h ASN 13 N 0.20 0.00 -0.00 4.19 2.35 -1.47 -3.26 115.58 117.58 1st7 h ASN 13 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1st7 h ASN 13 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1st7 h ASN 13 CO 0.01 0.32 -0.60 1.21 -1.65 0.00 0.00 177.43 176.73 1st7 n GLU 14 N -3.66 2.73 -1.73 0.81 2.13 -0.44 -4.87 120.64 115.62 1st7 n GLU 14 Ca -0.01 -0.02 -0.36 0.00 0.66 0.00 0.00 57.16 57.43 1st7 n GLU 14 Cb 0.44 -1.11 0.07 0.00 0.27 0.00 0.00 31.44 31.10 1st7 n GLU 14 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1st7 s LEU 15 N -2.59 3.53 0.42 4.31 2.96 0.18 -4.90 118.68 122.59 1st7 s LEU 15 Ca 0.05 2.50 0.28 0.00 -0.22 0.00 0.00 54.13 56.74 1st7 s LEU 15 Cb 0.10 -4.61 0.95 0.00 0.50 0.00 0.00 46.19 43.13 1st7 s LEU 15 CO 0.52 -1.98 1.81 1.55 -1.32 0.00 0.00 176.35 176.94 1st7 h PRO 16 N 0.41 0.00 -3.35 0.98 0.13 -1.85 -3.13 132.00 125.19 1st7 h PRO 16 Ca -0.50 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.89 1st7 h PRO 16 Cb 1.32 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.12 1st7 h PRO 16 CO 0.53 0.00 0.16 2.41 -0.23 0.00 0.00 178.00 180.87 1st7 n THR 17 N -2.83 3.75 -1.28 1.56 -1.04 -1.24 -5.06 114.28 108.14 1st7 n THR 17 Ca 0.02 -5.27 -0.34 0.00 -2.04 0.00 0.00 64.05 56.42 1st7 n THR 17 Cb 0.37 -2.44 0.11 0.00 -1.82 0.00 0.00 70.33 66.55 1st7 n THR 17 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1st7 s LYS 18 N -1.47 1.89 0.45 -2.82 1.02 -1.19 -4.75 119.74 112.88 1st7 s LYS 18 Ca 0.30 1.77 -0.24 0.00 0.02 0.00 0.00 55.97 57.82 1st7 s LYS 18 Cb -0.07 -1.80 -0.07 0.00 -0.52 0.00 0.00 37.83 35.37 1st7 s LYS 18 CO -0.09 -2.03 1.25 -2.14 -0.92 0.00 0.00 175.35 171.42 1st7 s PRO 19 N -4.01 3.73 0.34 -1.68 0.02 -1.26 -4.96 135.00 127.18 1st7 s PRO 19 Ca 0.74 1.99 -0.26 0.00 0.02 0.00 0.00 61.00 63.50 1st7 s PRO 19 Cb -0.29 -2.51 -0.10 0.00 0.02 0.00 0.00 34.50 31.62 1st7 s PRO 19 CO 0.48 -0.64 0.98 0.45 -0.33 0.00 0.00 177.00 177.94 1st7 s SER 20 N -1.06 7.18 0.16 2.53 0.15 -1.26 -4.82 113.70 116.58 1st7 s SER 20 Ca 0.62 1.92 -0.31 0.00 0.70 0.00 0.00 55.95 58.88 1st7 s SER 20 Cb -0.34 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.32 1st7 s SER 20 CO 0.42 -0.18 1.54 0.74 1.20 0.00 0.00 173.24 176.96 1st7 h THR 21 N 2.53 0.00 0.00 6.45 2.02 -1.99 0.13 112.91 122.05 1st7 h THR 21 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1st7 h THR 21 Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1st7 h THR 21 CO 0.64 0.00 -0.52 -0.67 0.37 0.00 0.00 175.52 175.34 1st7 n ASP 22 N -5.28 0.61 -0.08 4.18 2.03 -1.26 -3.69 116.55 113.06 1st7 n ASP 22 Ca 0.01 0.08 -0.15 0.00 0.52 0.00 0.00 54.79 55.25 1st7 n ASP 22 Cb 0.28 0.09 -0.12 0.00 -0.72 0.00 0.00 41.12 40.65 1st7 n ASP 22 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1st7 h GLU 23 N 0.00 0.00 -0.99 -0.67 5.08 -1.79 -3.37 114.58 112.83 1st7 h GLU 23 Ca 0.00 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.71 1st7 h GLU 23 Cb 0.67 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.75 1st7 h GLU 23 CO 0.00 0.98 0.47 1.25 -1.00 0.00 0.00 179.01 180.72 1st7 h LEU 24 N -1.00 0.29 -0.23 1.33 7.12 -0.84 -1.76 115.31 120.21 1st7 h LEU 24 Ca -0.07 0.23 0.02 0.00 0.13 0.00 0.00 57.88 58.19 1st7 h LEU 24 Cb 1.05 0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 41.40 1st7 h LEU 24 CO -0.04 -0.30 0.08 -0.07 -0.13 0.00 0.00 178.44 177.98 1st7 h LEU 25 N 0.14 0.10 -0.68 2.25 3.38 -1.73 0.41 115.31 119.17 1st7 h LEU 25 Ca 0.76 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.78 1st7 h LEU 25 Cb 1.85 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 1st7 h LEU 25 CO -0.72 0.09 0.42 -0.33 0.09 0.00 0.00 178.44 178.00 1st7 h GLU 26 N 0.19 0.80 -0.72 1.13 5.08 -1.53 -2.84 114.58 116.69 1st7 h GLU 26 Ca 0.10 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1st7 h GLU 26 Cb 0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1st7 h GLU 26 CO -0.10 0.53 0.23 -0.07 -1.00 0.00 0.00 179.01 178.60 1st7 h LEU 27 N 0.83 1.05 -0.56 1.33 -0.00 -1.15 -2.88 115.31 113.93 1st7 h LEU 27 Ca 0.28 -0.21 0.11 0.00 -0.00 0.00 0.00 57.88 58.06 1st7 h LEU 27 Cb 0.03 -0.27 -0.10 0.00 -0.00 0.00 0.00 40.66 40.32 1st7 h LEU 27 CO -0.11 0.98 -0.06 0.22 -0.00 0.00 0.00 178.44 179.47 1st7 h TYR 28 N 1.07 -0.14 -0.66 1.13 5.03 -0.02 0.16 116.97 123.53 1st7 h TYR 28 Ca 0.23 0.04 0.12 0.00 2.58 0.00 0.00 58.73 61.71 1st7 h TYR 28 Cb 0.30 0.15 -0.09 0.00 1.55 0.00 0.00 36.73 38.64 1st7 h TYR 28 CO 0.02 -0.18 0.22 0.00 -1.32 0.00 0.00 178.16 176.90 1st7 h ALA 29 N 1.53 0.86 -0.02 1.82 0.00 -1.27 0.32 119.26 122.50 1st7 h ALA 29 Ca 0.28 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1st7 h ALA 29 Cb 0.44 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1st7 h ALA 29 CO -0.52 -0.23 -0.04 -0.07 0.00 0.00 0.00 179.25 178.39 1st7 h LEU 30 N 0.38 0.06 -0.18 0.00 4.07 -1.46 -1.21 115.31 116.97 1st7 h LEU 30 Ca 0.35 -0.58 0.05 0.00 0.08 0.00 0.00 57.88 57.78 1st7 h LEU 30 Cb 0.50 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.16 1st7 h LEU 30 CO -0.37 0.64 -0.22 0.22 -1.08 0.00 0.00 178.44 177.63 1st7 h TYR 31 N -0.51 -0.57 -0.66 1.13 3.20 -0.47 -0.49 116.97 118.60 1st7 h TYR 31 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1st7 h TYR 31 Cb 0.63 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1st7 h TYR 31 CO 0.13 -0.29 0.30 0.87 -1.64 0.00 0.00 178.16 177.52 1st7 h LYS 32 N -0.25 0.94 0.57 1.82 1.79 -0.47 -1.00 116.57 119.98 1st7 h LYS 32 Ca 0.12 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1st7 h LYS 32 Cb 0.42 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1st7 h LYS 32 CO -0.33 0.74 -0.36 1.96 -1.08 0.00 0.00 179.45 180.39 1st7 h GLN 33 N 0.94 -0.85 -0.00 3.15 1.08 0.18 -2.27 115.11 117.32 1st7 h GLN 33 Ca 0.23 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1st7 h GLN 33 Cb 0.13 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1st7 h GLN 33 CO -0.03 -0.57 -0.35 0.00 -0.95 0.00 0.00 178.83 176.94 1st7 n ALA 34 N -2.58 3.25 0.27 3.87 0.00 -0.77 -0.44 120.51 124.11 1st7 n ALA 34 Ca -0.12 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1st7 n ALA 34 Cb 0.38 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 0.67 0.00 0.12 0.00 2.02 -1.12 -3.40 112.91 111.20 1st7 h THR 35 Ca 0.00 -0.36 -0.30 0.00 0.77 0.00 0.00 66.41 66.51 1st7 h THR 35 Cb 0.50 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1st7 h THR 35 CO 0.00 0.00 -1.59 -0.37 0.37 0.00 0.00 175.52 173.93 1st7 h VAL 36 N -1.10 0.91 0.00 3.16 -1.51 -1.51 -3.49 116.25 112.71 1st7 h VAL 36 Ca -0.08 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.01 1st7 h VAL 36 Cb 0.57 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 32.35 1st7 h VAL 36 CO 0.12 0.74 0.00 0.61 -1.23 0.00 0.00 177.57 177.81 1st7 n GLY 37 N 1.79 3.35 3.36 5.19 0.00 0.41 -5.01 105.19 114.28 1st7 n GLY 37 Ca -0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.43 2.71 -0.35 1.61 1.01 -1.26 -4.33 116.67 115.63 1st7 s ASP 38 Ca 0.00 -1.02 -0.30 0.00 0.71 0.00 0.00 52.55 51.94 1st7 s ASP 38 Cb 0.00 -0.16 -0.08 0.00 1.01 0.00 0.00 42.92 43.69 1st7 s ASP 38 CO 0.00 -0.14 2.27 -0.46 0.21 0.00 0.00 175.17 177.05 1st7 n ASN 39 N -0.40 2.54 0.00 0.27 6.94 -0.29 -4.88 115.26 119.45 1st7 n ASN 39 Ca -0.08 0.14 -0.01 0.00 -0.02 0.00 0.00 54.58 54.61 1st7 n ASN 39 Cb 0.60 -1.43 -0.01 0.00 -2.36 0.00 0.00 39.78 36.59 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 14.85 -0.08 -4.50 0.53 3.58 -1.94 -3.45 116.42 125.41 1st7 h ASP 40 Ca -0.31 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.67 1st7 h ASP 40 Cb 1.28 0.02 0.09 0.00 1.72 0.00 0.00 39.33 42.44 1st7 h ASP 40 CO 1.04 0.29 0.39 -0.54 -2.88 0.00 0.00 179.24 177.55 1st7 s LYS 41 N -1.77 2.26 0.00 0.28 -0.14 -1.26 -5.00 119.74 114.11 1st7 s LYS 41 Ca -0.01 0.19 0.16 0.00 -1.36 0.00 0.00 55.97 54.95 1st7 s LYS 41 Cb 0.00 -1.99 0.27 0.00 -1.68 0.00 0.00 37.83 34.43 1st7 s LYS 41 CO 0.04 -1.39 1.09 -1.91 -0.76 0.00 0.00 175.35 172.42 1st7 n GLU 42 N -3.19 0.00 -3.29 1.68 2.13 -1.26 -5.02 120.64 111.70 1st7 n GLU 42 Ca 0.08 -1.60 -0.24 0.00 0.66 0.00 0.00 57.16 56.06 1st7 n GLU 42 Cb 0.60 0.11 -0.08 0.00 0.27 0.00 0.00 31.44 32.33 1st7 n GLU 42 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1st7 n LYS 43 N 0.32 0.28 -1.71 5.31 2.85 -1.26 -5.11 118.16 118.84 1st7 n LYS 43 Ca -0.04 -3.02 -0.29 0.00 -1.05 0.00 0.00 58.31 53.91 1st7 n LYS 43 Cb 0.98 -1.60 0.10 0.00 -0.65 0.00 0.00 35.03 33.86 1st7 n LYS 43 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1st7 s PRO 44 N 0.06 1.79 0.00 -1.58 0.04 -1.26 -5.08 135.00 128.96 1st7 s PRO 44 Ca 0.33 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1st7 s PRO 44 Cb 0.05 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1st7 s PRO 44 CO -0.17 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.52 1st7 n GLY 45 N -2.69 -0.28 0.25 0.56 0.00 -1.26 -4.92 105.19 96.84 1st7 n GLY 45 Ca 0.07 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.06 0.76 1.40 -0.61 -5.35 -1.26 -4.43 119.36 109.81 1st7 n ILE 46 Ca 0.00 0.29 0.14 0.00 -0.27 0.00 0.00 62.75 62.91 1st7 n ILE 46 Cb 0.00 -1.82 0.62 0.00 -1.74 0.00 0.00 39.64 36.70 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 -3.43 0.00 -1.47 4.28 1.16 -1.26 -4.71 117.46 112.03 1st7 n PHE 47 Ca -0.06 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.10 1st7 n PHE 47 Cb 0.22 -0.20 -0.02 0.00 -1.61 0.00 0.00 39.48 37.87 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 -1.00 3.60 -0.31 5.98 4.13 -1.26 -4.73 115.26 121.67 1st7 n ASN 48 Ca 0.14 -2.76 -0.04 0.00 1.68 0.00 0.00 54.58 53.61 1st7 n ASN 48 Cb 0.27 -1.44 0.10 0.00 -1.54 0.00 0.00 39.78 37.17 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 6.66 1.22 -0.83 3.52 2.86 -1.91 0.80 114.93 127.24 1st7 h MET 49 Ca 0.53 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 58.01 1st7 h MET 49 Cb 0.62 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1st7 h MET 49 CO 1.90 0.91 0.54 1.57 1.06 0.00 0.00 176.91 182.89 1st7 h LYS 50 N 1.21 1.10 -0.03 1.72 2.10 -2.00 -1.88 116.57 118.79 1st7 h LYS 50 Ca 0.30 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.87 1st7 h LYS 50 Cb 0.07 -0.25 -0.00 0.00 -0.90 0.00 0.00 32.23 31.16 1st7 h LYS 50 CO -0.04 0.74 -0.01 -0.44 -2.00 0.00 0.00 179.45 177.70 1st7 h ASP 51 N 1.13 0.06 -0.44 7.07 5.19 -1.87 -2.83 116.42 124.74 1st7 h ASP 51 Ca 0.30 -0.36 0.05 0.00 -0.62 0.00 0.00 57.03 56.40 1st7 h ASP 51 Cb -0.12 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.30 1st7 h ASP 51 CO -0.06 0.41 -0.55 0.03 -3.12 0.00 0.00 179.24 175.95 1st7 h ARG 52 N -0.29 -0.36 -0.16 3.56 2.47 -0.54 0.31 114.38 119.37 1st7 h ARG 52 Ca 0.01 0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.55 1st7 h ARG 52 Cb 0.38 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1st7 h ARG 52 CO 0.00 -0.24 -0.71 1.88 0.56 0.00 0.00 179.97 181.46 1st7 h TYR 53 N -0.37 0.92 0.00 3.04 0.05 -1.48 -2.88 116.97 116.25 1st7 h TYR 53 Ca 0.08 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1st7 h TYR 53 Cb 0.58 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1st7 h TYR 53 CO -0.74 1.19 -0.40 1.63 -1.05 0.00 0.00 178.16 178.79 1st7 n LYS 54 N -3.92 0.21 -0.04 4.88 4.76 -1.07 -1.22 118.16 121.75 1st7 n LYS 54 Ca -0.06 0.09 -0.08 0.00 -2.87 0.00 0.00 58.31 55.40 1st7 n LYS 54 Cb 0.71 -1.67 0.09 0.00 -1.84 0.00 0.00 35.03 32.33 1st7 n LYS 54 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 1st7 h TRP 55 N 0.00 0.78 0.00 2.13 7.01 -0.44 -2.87 115.95 122.56 1st7 h TRP 55 Ca 0.00 -0.20 -0.07 0.00 2.11 0.00 0.00 58.89 60.73 1st7 h TRP 55 Cb 0.68 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 1st7 h TRP 55 CO 0.00 0.91 -0.32 0.93 -2.79 0.00 0.00 178.44 177.17 1st7 h GLU 56 N 0.56 0.00 0.00 2.65 5.08 -1.09 0.12 114.58 121.91 1st7 h GLU 56 Ca 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1st7 h GLU 56 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1st7 h GLU 56 CO 0.07 0.32 -0.22 0.00 -1.00 0.00 0.00 179.01 178.17 1st7 h ALA 57 N 1.68 1.13 0.08 3.43 0.00 -1.12 -1.91 119.26 122.56 1st7 h ALA 57 Ca -0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1st7 h ALA 57 Cb 0.74 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1st7 h ALA 57 CO 0.04 0.28 -0.65 2.35 0.00 0.00 0.00 179.25 181.27 1st7 h TRP 58 N 0.00 0.30 -0.63 0.00 7.01 -1.01 -3.34 115.95 118.28 1st7 h TRP 58 Ca -0.00 -0.22 0.18 0.00 2.11 0.00 0.00 58.89 60.96 1st7 h TRP 58 Cb 0.62 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 1st7 h TRP 58 CO 0.00 1.25 0.45 1.49 -2.79 0.00 0.00 178.44 178.84 1st7 h GLU 59 N -0.63 0.03 -0.86 2.65 4.57 -0.74 0.12 114.58 119.72 1st7 h GLU 59 Ca -0.13 -0.00 0.23 0.00 -1.18 0.00 0.00 59.36 58.27 1st7 h GLU 59 Cb 1.41 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.95 1st7 h GLU 59 CO 0.06 0.02 0.60 -0.97 -1.18 0.00 0.00 179.01 177.54 1st7 h ASN 60 N 0.03 0.15 -0.02 1.04 -1.24 -1.47 -2.59 115.58 111.50 1st7 h ASN 60 Ca 0.30 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.33 1st7 h ASN 60 Cb 1.16 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.20 1st7 h ASN 60 CO -0.01 0.06 -0.14 0.18 -1.29 0.00 0.00 177.43 176.22 1st7 n LEU 61 N -4.37 2.15 -0.17 0.34 4.77 0.40 -4.93 117.00 115.19 1st7 n LEU 61 Ca 0.18 -0.90 0.17 0.00 -0.03 0.00 0.00 56.01 55.43 1st7 n LEU 61 Cb 0.83 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 42.18 1st7 n LEU 61 CO 0.35 0.39 0.64 2.29 -1.33 0.00 0.00 177.39 179.74 1st7 n LYS 62 N 0.55 0.01 -1.25 3.23 2.85 -0.98 -1.60 118.16 120.96 1st7 n LYS 62 Ca 0.09 0.51 -0.06 0.00 -1.05 0.00 0.00 58.31 57.79 1st7 n LYS 62 Cb 0.41 -1.24 -0.04 0.00 -0.65 0.00 0.00 35.03 33.51 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 -1.29 0.73 0.89 2.58 0.00 -1.26 -1.13 105.19 105.71 1st7 n GLY 63 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.24 0.08 -0.61 1.61 4.81 -0.63 -4.86 118.16 118.32 1st7 n LYS 64 Ca -0.26 0.03 -0.10 0.00 -0.87 0.00 0.00 58.31 57.11 1st7 n LYS 64 Cb 0.72 -0.63 0.04 0.00 0.02 0.00 0.00 35.03 35.19 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 -3.23 4.88 0.01 3.14 7.64 -1.18 -3.07 113.62 121.82 1st7 n SER 65 Ca -0.07 -2.71 0.05 0.00 1.01 0.00 0.00 58.87 57.15 1st7 n SER 65 Cb 0.49 -0.88 0.21 0.00 -1.01 0.00 0.00 64.21 63.02 1st7 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1st7 n GLN 66 N 0.40 0.01 0.03 1.43 6.02 -1.26 0.26 117.38 124.26 1st7 n GLN 66 Ca 0.20 0.35 -0.15 0.00 -0.01 0.00 0.00 57.00 57.39 1st7 n GLN 66 Cb 0.69 -1.52 -0.14 0.00 1.02 0.00 0.00 30.24 30.29 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 0.18 0.00 -1.09 5.08 -1.97 -3.40 114.58 113.38 1st7 h GLU 67 Ca 0.00 -0.30 -0.20 0.00 -1.00 0.00 0.00 59.36 57.86 1st7 h GLU 67 Cb 0.16 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1st7 h GLU 67 CO 0.00 0.97 -1.37 -0.25 -1.00 0.00 0.00 179.01 177.36 1st7 n ASP 68 N -3.34 1.88 -0.28 1.42 8.00 -1.01 -4.60 116.55 118.63 1st7 n ASP 68 Ca -0.20 0.44 -0.01 0.00 0.71 0.00 0.00 54.79 55.74 1st7 n ASP 68 Cb 1.04 -0.87 0.06 0.00 -0.02 0.00 0.00 41.12 41.33 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 -0.82 0.27 -0.94 2.24 0.00 -0.46 0.25 119.26 119.81 1st7 h ALA 69 Ca -0.30 0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.08 1st7 h ALA 69 Cb 1.15 0.76 -0.18 0.00 0.00 0.00 0.00 17.79 19.52 1st7 h ALA 69 CO -0.18 -0.54 -0.13 1.05 0.00 0.00 0.00 179.25 179.45 1st7 h GLU 70 N -0.05 0.01 0.11 0.00 4.11 -1.78 -0.87 114.58 116.10 1st7 h GLU 70 Ca 0.33 -0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.42 1st7 h GLU 70 Cb 0.58 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1st7 h GLU 70 CO -0.82 0.01 -1.86 -0.22 0.07 0.00 0.00 179.01 176.18 1st7 h LYS 71 N 0.01 0.23 0.00 1.06 3.11 -1.25 -3.35 116.57 116.38 1st7 h LYS 71 Ca 0.49 -0.39 -0.15 0.00 -2.81 0.00 0.00 60.65 57.80 1st7 h LYS 71 Cb 0.86 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 32.21 1st7 h LYS 71 CO -0.93 1.07 -0.71 0.93 -2.81 0.00 0.00 179.45 177.01 1st7 h GLU 72 N 0.06 0.00 0.01 1.90 5.08 -1.17 -3.35 114.58 117.11 1st7 h GLU 72 Ca -0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1st7 h GLU 72 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1st7 h GLU 72 CO 0.11 0.71 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.90 1st7 h TYR 73 N 0.00 -0.01 -0.85 4.33 3.20 -1.29 -2.99 116.97 119.37 1st7 h TYR 73 Ca -0.01 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.00 1st7 h TYR 73 Cb 1.41 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.59 1st7 h TYR 73 CO 0.00 0.12 0.45 0.97 -1.64 0.00 0.00 178.16 178.06 1st7 h ILE 74 N -0.14 0.76 0.00 1.81 2.10 -1.69 -0.07 117.51 120.28 1st7 h ILE 74 Ca -0.00 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.71 1st7 h ILE 74 Cb 0.14 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 35.91 1st7 h ILE 74 CO 0.00 0.12 0.00 0.00 -1.08 0.00 0.00 178.15 177.19 1st7 h ALA 75 N 1.54 1.00 0.04 0.18 0.00 -1.70 0.59 119.26 120.91 1st7 h ALA 75 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1st7 h ALA 75 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1st7 h ALA 75 CO -0.34 0.00 -0.02 -0.07 0.00 0.00 0.00 179.25 178.82 1st7 h LEU 76 N 0.00 -0.04 -1.38 0.00 3.38 -1.19 -3.39 115.31 112.69 1st7 h LEU 76 Ca 0.00 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 1st7 h LEU 76 Cb 0.58 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1st7 h LEU 76 CO 0.00 0.70 -0.25 0.58 0.09 0.00 0.00 178.44 179.56 1st7 h VAL 77 N -0.96 0.76 -0.38 1.22 2.07 -0.75 -1.52 116.25 116.70 1st7 h VAL 77 Ca -0.00 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1st7 h VAL 77 Cb 0.59 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1st7 h VAL 77 CO 0.01 0.24 0.05 -0.78 0.02 0.00 0.00 177.57 177.11 1st7 h ASP 78 N 0.00 0.54 0.79 0.57 3.58 -1.08 0.27 116.42 121.08 1st7 h ASP 78 Ca -0.00 -0.09 -0.16 0.00 0.42 0.00 0.00 57.03 57.20 1st7 h ASP 78 Cb 0.62 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1st7 h ASP 78 CO 0.03 0.57 -0.74 1.56 -2.88 0.00 0.00 179.24 177.78 1st7 h GLN 79 N 0.56 0.00 0.09 0.28 4.20 -1.48 -1.93 115.11 116.83 1st7 h GLN 79 Ca 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1st7 h GLN 79 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1st7 h GLN 79 CO 0.00 0.74 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.79 1st7 h LEU 80 N 0.00 -0.10 -1.45 1.46 3.38 -1.01 -3.15 115.31 114.44 1st7 h LEU 80 Ca -0.01 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1st7 h LEU 80 Cb 1.33 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1st7 h LEU 80 CO 0.10 0.41 0.09 0.40 0.09 0.00 0.00 178.44 179.53 1st7 h ILE 81 N -0.65 1.15 -0.01 1.22 2.04 -0.50 0.39 117.51 121.15 1st7 h ILE 81 Ca -0.01 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1st7 h ILE 81 Cb 0.52 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1st7 h ILE 81 CO 0.02 0.18 0.01 0.00 0.00 0.00 0.00 178.15 178.37 1st7 h ALA 82 N 1.65 1.25 0.05 1.87 0.00 -1.39 0.48 119.26 123.16 1st7 h ALA 82 Ca 0.11 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1st7 h ALA 82 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1st7 h ALA 82 CO -0.01 -0.02 -1.22 0.87 0.00 0.00 0.00 179.25 178.88 1st7 h LYS 83 N 0.00 0.12 0.00 0.00 1.57 -0.94 -3.45 116.57 113.87 1st7 h LYS 83 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1st7 h LYS 83 Cb 0.03 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1st7 h LYS 83 CO -0.00 1.10 -1.45 0.66 -0.57 0.00 0.00 179.45 179.19 1st7 n TYR 84 N -4.18 0.11 -0.08 -1.35 4.01 0.12 -4.25 117.16 111.55 1st7 n TYR 84 Ca -0.26 0.03 -0.09 0.00 -0.16 0.00 0.00 57.90 57.42 1st7 n TYR 84 Cb 0.77 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.09 0.00 7.72 0.87 -1.18 -3.30 113.55 116.58 1st7 h SER 85 Ca 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1st7 h SER 85 Cb 0.80 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1st7 h SER 85 CO 0.00 -0.34 0.00 -0.24 -0.53 0.00 0.00 176.83 175.72