#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8p h ALA 3 N 0.00 2.06 -0.32 -1.67 0.00 -1.85 -0.84 119.26 116.64 1i8p h ALA 3 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1i8p h ALA 3 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1i8p h ALA 3 CO 0.00 -0.15 0.09 -0.22 0.00 0.00 0.00 179.25 178.97 1i8p h LYS 4 N 0.27 0.50 -0.05 0.00 1.63 -1.95 -2.48 116.57 114.49 1i8p h LYS 4 Ca 0.19 -0.12 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1i8p h LYS 4 Cb 0.43 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1i8p h LYS 4 CO -0.04 0.56 -0.26 0.00 -3.45 0.00 0.00 179.45 176.26 1i8p h ALA 5 N 0.92 1.47 0.00 5.00 0.00 -1.72 -2.25 119.26 122.68 1i8p h ALA 5 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1i8p h ALA 5 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1i8p h ALA 5 CO -0.00 0.38 -0.06 0.78 0.00 0.00 0.00 179.25 180.35 1i8p h GLY 6 N 0.87 0.00 0.46 0.00 0.00 -0.74 -2.37 103.07 101.29 1i8p h GLY 6 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.45 1i8p h GLY 6 CO 0.04 0.00 0.52 0.83 0.00 0.00 0.00 176.54 177.93 1i8p h GLU 7 N 0.00 0.82 -0.33 4.80 5.08 -1.06 0.58 114.58 124.47 1i8p h GLU 7 Ca -0.00 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1i8p h GLU 7 Cb 0.16 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1i8p h GLU 7 CO 0.01 0.54 -0.36 0.00 -1.00 0.00 0.00 179.01 178.19 1i8p h ALA 8 N 1.50 0.75 -0.30 3.43 0.00 -1.58 -2.89 119.26 120.17 1i8p h ALA 8 Ca 0.44 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1i8p h ALA 8 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1i8p h ALA 8 CO -0.27 0.66 -0.42 0.28 0.00 0.00 0.00 179.25 179.50 1i8p h VAL 9 N 0.62 1.29 -0.21 0.00 2.07 -1.44 -2.72 116.25 115.86 1i8p h VAL 9 Ca 0.06 -1.60 0.06 0.00 0.82 0.00 0.00 66.70 66.04 1i8p h VAL 9 Cb 0.90 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1i8p h VAL 9 CO 0.08 0.52 0.16 0.15 0.02 0.00 0.00 177.57 178.49 1i8p h PHE 10 N 0.60 0.00 -0.99 1.57 3.57 -0.69 -2.54 116.94 118.45 1i8p h PHE 10 Ca 0.05 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.74 1i8p h PHE 10 Cb 0.97 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.61 1i8p h PHE 10 CO 0.05 0.00 0.61 0.87 -2.23 0.00 0.00 178.31 177.61 1i8p h LYS 11 N 0.00 0.70 -0.37 1.11 1.57 -1.38 -0.65 116.57 117.56 1i8p h LYS 11 Ca 0.10 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1i8p h LYS 11 Cb 0.41 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1i8p h LYS 11 CO -0.00 0.46 0.00 1.96 -0.57 0.00 0.00 179.45 181.30 1i8p h GLN 12 N 0.72 0.65 -0.13 3.15 4.20 -1.64 -2.84 115.11 119.21 1i8p h GLN 12 Ca 0.56 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 59.08 1i8p h GLN 12 Cb 0.94 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1i8p h GLN 12 CO -0.34 0.75 0.09 0.00 -0.67 0.00 0.00 178.83 178.66 1i8p n MET 14 N -4.51 0.04 0.04 0.00 2.81 -0.38 -0.79 117.12 114.32 1i8p n MET 14 Ca -0.01 0.38 0.10 0.00 -1.81 0.00 0.00 57.70 56.37 1i8p n MET 14 Cb 0.13 -1.59 0.55 0.00 -0.71 0.00 0.00 33.22 31.60 1i8p n MET 14 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1i8p h THR 15 N 0.00 0.95 0.00 2.03 2.02 -1.40 -3.34 112.91 113.17 1i8p h THR 15 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1i8p h THR 15 Cb 0.17 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1i8p h THR 15 CO 0.00 0.05 -0.03 0.00 0.37 0.00 0.00 175.52 175.91 1i8p s HIS 17 N -0.57 1.57 0.38 0.00 3.76 0.03 -0.82 115.29 119.63 1i8p s HIS 17 Ca 0.00 -0.38 0.08 0.00 -0.15 0.00 0.00 55.06 54.61 1i8p s HIS 17 Cb 0.00 -0.91 -0.07 0.00 1.11 0.00 0.00 32.58 32.71 1i8p s HIS 17 CO 0.00 0.10 0.02 1.03 -0.85 0.00 0.00 174.74 175.04 1i8p s ARG 18 N -1.38 2.01 -0.02 1.40 1.81 -1.26 -4.10 118.95 117.41 1i8p s ARG 18 Ca 0.04 -1.93 -0.25 0.00 -1.72 0.00 0.00 55.73 51.88 1i8p s ARG 18 Cb -0.09 -1.79 -0.18 0.00 -0.45 0.00 0.00 34.95 32.44 1i8p s ARG 18 CO 0.02 0.02 1.16 0.00 -0.68 0.00 0.00 175.30 175.83 1i8p h ALA 19 N 1.77 -0.15 -0.17 2.13 0.00 -1.94 -1.75 119.26 119.15 1i8p h ALA 19 Ca -0.43 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1i8p h ALA 19 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1i8p h ALA 19 CO 0.73 -0.34 0.00 -0.25 0.00 0.00 0.00 179.25 179.39 1i8p n ASP 20 N -4.94 2.35 -3.91 0.00 8.00 -1.26 -0.64 116.55 116.15 1i8p n ASP 20 Ca -0.09 -1.71 -0.09 0.00 0.71 0.00 0.00 54.79 53.62 1i8p n ASP 20 Cb 0.26 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 41.17 1i8p n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1i8p s LYS 21 N -0.93 0.75 0.52 -1.24 1.02 -1.26 -5.01 119.74 113.60 1i8p s LYS 21 Ca 0.17 -0.96 -0.15 0.00 0.02 0.00 0.00 55.97 55.05 1i8p s LYS 21 Cb 0.10 0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 37.64 1i8p s LYS 21 CO 0.14 -0.21 0.97 -0.80 -0.92 0.00 0.00 175.35 174.52 1i8p s ASN 22 N -2.72 6.54 0.00 2.83 0.01 -1.26 -3.84 114.94 116.50 1i8p s ASN 22 Ca 0.03 1.48 0.00 0.00 -0.71 0.00 0.00 52.86 53.67 1i8p s ASN 22 Cb 0.04 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1i8p s ASN 22 CO -0.09 -0.61 0.00 0.80 -1.51 0.00 0.00 177.10 175.68 1i8p n MET 23 N -1.76 0.00 -0.20 -0.60 1.56 -1.26 -4.93 117.12 109.94 1i8p n MET 23 Ca 0.06 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.44 1i8p n MET 23 Cb 0.54 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.96 1i8p n MET 23 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1i8p h VAL 24 N 0.00 1.08 -1.59 1.12 2.07 -1.88 -3.43 116.25 113.62 1i8p h VAL 24 Ca 0.00 -0.24 -0.53 0.00 0.82 0.00 0.00 66.70 66.75 1i8p h VAL 24 Cb 0.00 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 1i8p h VAL 24 CO 0.00 0.13 -0.45 -0.83 0.02 0.00 0.00 177.57 176.44 1i8p s GLY 25 N -2.79 2.22 0.67 2.17 0.00 -0.00 -5.05 107.32 104.55 1i8p s GLY 25 Ca -0.13 -2.00 -0.15 0.00 0.00 0.00 0.00 44.72 42.45 1i8p s GLY 25 CO 0.75 -1.81 1.12 2.56 0.00 0.00 0.00 173.10 175.72 1i8p s PRO 26 N -3.99 2.68 0.31 2.90 0.04 -1.26 -4.68 135.00 131.00 1i8p s PRO 26 Ca 0.44 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1i8p s PRO 26 Cb 0.00 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1i8p s PRO 26 CO 0.25 -1.35 1.29 0.00 0.04 0.00 0.00 177.00 177.23 1i8p n ALA 27 N -2.51 1.08 0.69 8.56 0.00 -1.25 -4.58 120.51 122.50 1i8p n ALA 27 Ca 0.11 0.38 0.07 0.00 0.00 0.00 0.00 53.44 54.00 1i8p n ALA 27 Cb 0.52 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 1i8p n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i8p n LEU 28 N 1.19 1.06 -4.72 0.00 4.77 -0.66 -4.85 117.00 113.80 1i8p n LEU 28 Ca 0.07 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 1i8p n LEU 28 Cb 0.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1i8p n LEU 28 CO 0.62 0.23 1.35 0.00 -1.33 0.00 0.00 177.39 178.26 1i8p n ALA 29 N -0.84 2.71 -1.00 -1.18 0.00 0.19 -1.83 120.51 118.56 1i8p n ALA 29 Ca 0.04 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.89 1i8p n ALA 29 Cb 0.27 -2.51 -0.00 0.00 0.00 0.00 0.00 19.45 17.21 1i8p n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8p n GLY 30 N 3.83 0.47 0.20 0.00 0.00 0.40 -4.90 105.19 105.19 1i8p n GLY 30 Ca 0.16 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1i8p n GLY 30 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1i8p h VAL 31 N 0.00 1.27 -2.89 1.61 3.04 -1.60 -3.33 116.25 114.36 1i8p h VAL 31 Ca -0.00 -1.29 -0.56 0.00 -1.01 0.00 0.00 66.70 63.84 1i8p h VAL 31 Cb 0.06 1.60 -0.04 0.00 -2.01 0.00 0.00 31.29 30.90 1i8p h VAL 31 CO 0.00 0.38 1.17 -0.69 -1.01 0.00 0.00 177.57 177.42 1i8p s VAL 32 N -4.27 3.70 0.00 1.51 1.01 -1.26 -1.65 120.40 119.44 1i8p s VAL 32 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1i8p s VAL 32 Cb 0.14 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1i8p s VAL 32 CO 0.74 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1i8p n GLY 33 N 5.28 0.88 3.76 4.51 0.00 0.60 -4.99 105.19 115.22 1i8p n GLY 33 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1i8p n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i8p s ARG 34 N -0.53 3.55 0.20 1.61 3.52 -0.66 -4.80 118.95 121.84 1i8p s ARG 34 Ca 0.00 -0.26 -0.32 0.00 -0.13 0.00 0.00 55.73 55.02 1i8p s ARG 34 Cb 0.00 -3.13 -0.14 0.00 -1.56 0.00 0.00 34.95 30.12 1i8p s ARG 34 CO 0.00 0.58 1.38 1.17 -0.81 0.00 0.00 175.30 177.63 1i8p n LYS 35 N 2.57 1.80 -1.88 5.12 4.81 -1.26 -1.28 118.16 128.05 1i8p n LYS 35 Ca -0.18 0.64 -0.38 0.00 -0.87 0.00 0.00 58.31 57.52 1i8p n LYS 35 Cb 0.54 -2.29 0.03 0.00 0.02 0.00 0.00 35.03 33.32 1i8p n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i8p s ALA 36 N 0.14 2.94 -0.31 3.14 0.00 0.58 -3.42 121.76 124.82 1i8p s ALA 36 Ca 0.73 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1i8p s ALA 36 Cb -0.72 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1i8p s ALA 36 CO 0.48 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1i8p n GLY 37 N 0.66 0.36 0.14 0.00 0.00 -1.26 -4.12 105.19 100.96 1i8p n GLY 37 Ca 0.09 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.33 1i8p n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i8p n THR 38 N -3.66 0.67 -1.81 2.61 -2.24 -1.22 -4.90 114.28 103.72 1i8p n THR 38 Ca -0.04 -0.75 -0.42 0.00 -2.27 0.00 0.00 64.05 60.57 1i8p n THR 38 Cb 0.40 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1i8p n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i8p s ALA 39 N -0.89 3.79 0.34 6.98 0.00 -1.26 -4.87 121.76 125.86 1i8p s ALA 39 Ca 0.07 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 1i8p s ALA 39 Cb 0.06 -3.65 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 1i8p s ALA 39 CO 0.01 -0.91 1.40 0.00 0.00 0.00 0.00 175.76 176.26 1i8p s ALA 40 N 0.48 3.55 0.00 0.00 0.00 -1.26 -2.31 121.76 122.22 1i8p s ALA 40 Ca 0.67 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1i8p s ALA 40 Cb -0.47 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1i8p s ALA 40 CO 0.41 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1i8p n GLY 41 N 0.86 2.22 3.84 0.00 0.00 -1.26 -4.94 105.19 105.91 1i8p n GLY 41 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1i8p n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i8p s PHE 42 N -3.22 3.62 -0.44 1.61 5.36 -0.98 -5.07 117.98 118.86 1i8p s PHE 42 Ca 0.00 0.69 -0.18 0.00 -0.96 0.00 0.00 56.93 56.48 1i8p s PHE 42 Cb 0.00 -2.13 0.03 0.00 -0.34 0.00 0.00 43.02 40.59 1i8p s PHE 42 CO 0.00 0.62 0.49 0.99 -1.46 0.00 0.00 175.22 175.85 1i8p s THR 43 N -0.78 5.04 0.37 0.12 2.01 -1.26 -4.85 115.64 116.30 1i8p s THR 43 Ca 0.18 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 1i8p s THR 43 Cb -0.14 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1i8p s THR 43 CO 0.07 -0.52 0.60 -0.31 -0.69 0.00 0.00 174.62 173.77 1i8p s TYR 44 N 2.25 3.51 0.89 4.92 2.02 -1.26 -5.08 117.35 124.60 1i8p s TYR 44 Ca 0.13 0.47 -0.10 0.00 -0.37 0.00 0.00 57.07 57.19 1i8p s TYR 44 Cb -0.18 -1.99 0.13 0.00 -0.40 0.00 0.00 41.96 39.52 1i8p s TYR 44 CO 0.13 0.04 1.12 -1.54 -1.57 0.00 0.00 175.55 173.73 1i8p s SER 45 N -4.01 3.28 0.30 2.29 1.04 -1.26 -4.81 113.70 110.54 1i8p s SER 45 Ca 0.42 2.02 -0.00 0.00 0.48 0.00 0.00 55.95 58.87 1i8p s SER 45 Cb -0.10 -2.52 0.50 0.00 0.10 0.00 0.00 66.02 64.00 1i8p s SER 45 CO 0.38 -2.85 1.94 -0.65 0.98 0.00 0.00 173.24 173.04 1i8p h PRO 46 N -1.69 1.03 -0.59 4.02 0.11 -1.96 0.39 132.00 133.31 1i8p h PRO 46 Ca -0.44 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1i8p h PRO 46 Cb 1.26 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1i8p h PRO 46 CO 0.45 0.68 0.16 1.25 -0.21 0.00 0.00 178.00 180.33 1i8p h LEU 47 N 1.06 0.88 0.06 2.35 5.85 -1.83 0.87 115.31 124.55 1i8p h LEU 47 Ca 0.35 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1i8p h LEU 47 Cb 0.05 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1i8p h LEU 47 CO -0.11 0.87 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.71 1i8p h ASN 48 N 0.84 -0.07 -0.59 1.25 -0.73 -1.86 -1.98 115.58 112.45 1i8p h ASN 48 Ca 0.19 -0.52 0.09 0.00 1.87 0.00 0.00 56.30 57.92 1i8p h ASN 48 Cb 0.33 0.02 -0.07 0.00 0.27 0.00 0.00 38.32 38.87 1i8p h ASN 48 CO -0.00 0.52 0.22 -0.74 -0.37 0.00 0.00 177.43 177.07 1i8p h HIS 49 N -0.70 0.39 -0.13 0.67 2.76 -0.83 -2.03 115.15 115.28 1i8p h HIS 49 Ca -0.01 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 1i8p h HIS 49 Cb 0.59 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1i8p h HIS 49 CO 0.12 0.11 -0.28 -0.91 -1.30 0.00 0.00 177.93 175.67 1i8p h ASN 50 N 0.41 0.24 -0.48 3.26 2.35 -0.87 -1.43 115.58 119.06 1i8p h ASN 50 Ca 0.29 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1i8p h ASN 50 Cb 0.34 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1i8p h ASN 50 CO -0.29 0.52 0.28 0.28 -1.65 0.00 0.00 177.43 176.58 1i8p h SER 51 N 0.22 0.59 -0.52 5.81 0.02 -0.69 -0.65 113.55 118.33 1i8p h SER 51 Ca 0.03 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1i8p h SER 51 Cb 0.61 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1i8p h SER 51 CO 0.04 0.49 0.21 1.23 -1.14 0.00 0.00 176.83 177.66 1i8p h GLY 52 N 0.64 0.83 1.74 -3.77 0.00 -1.11 -1.85 103.07 99.55 1i8p h GLY 52 Ca 0.17 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1i8p h GLY 52 CO -0.03 0.42 0.16 0.83 0.00 0.00 0.00 176.54 177.92 1i8p h GLU 53 N 0.69 0.29 -0.01 4.80 4.39 -0.97 0.11 114.58 123.88 1i8p h GLU 53 Ca 0.17 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1i8p h GLU 53 Cb 0.20 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1i8p h GLU 53 CO -0.01 0.19 0.00 0.00 -1.16 0.00 0.00 179.01 178.03 1i8p n ALA 54 N -2.51 2.62 0.00 3.43 0.00 -0.28 -4.90 120.51 118.88 1i8p n ALA 54 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1i8p n ALA 54 Cb 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1i8p n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8p n GLY 55 N 0.89 1.14 3.65 0.00 0.00 0.38 -5.06 105.19 106.17 1i8p n GLY 55 Ca 0.17 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.69 1i8p n GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i8p n LEU 56 N 0.00 3.09 -4.31 0.99 7.94 -0.73 -4.95 117.00 119.03 1i8p n LEU 56 Ca 0.00 0.85 -0.32 0.00 -1.11 0.00 0.00 56.01 55.43 1i8p n LEU 56 Cb 0.00 -1.33 -0.16 0.00 0.53 0.00 0.00 43.42 42.46 1i8p n LEU 56 CO 0.00 -0.25 -0.53 -0.69 -1.11 0.00 0.00 177.39 174.82 1i8p s VAL 57 N 4.79 2.38 0.02 1.96 1.01 -1.26 -0.31 120.40 128.99 1i8p s VAL 57 Ca 0.97 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1i8p s VAL 57 Cb -0.75 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1i8p s VAL 57 CO 0.52 0.56 1.15 0.26 0.00 0.00 0.00 175.10 177.60 1i8p s TRP 58 N -0.09 3.43 0.40 5.22 0.52 -0.40 -4.92 118.94 123.11 1i8p s TRP 58 Ca -0.05 1.37 0.05 0.00 0.02 0.00 0.00 56.10 57.49 1i8p s TRP 58 Cb -0.14 -3.35 -0.06 0.00 -1.15 0.00 0.00 33.47 28.77 1i8p s TRP 58 CO 0.04 -0.99 0.03 0.95 0.02 0.00 0.00 176.95 177.01 1i8p s THR 59 N 1.35 1.46 0.44 2.01 -4.23 -1.26 -0.30 115.64 115.11 1i8p s THR 59 Ca 0.56 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.18 1i8p s THR 59 Cb -0.26 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.11 1i8p s THR 59 CO 0.27 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.41 1i8p h ALA 60 N 1.79 1.75 -0.06 3.99 0.00 -1.96 -1.65 119.26 123.13 1i8p h ALA 60 Ca -0.42 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1i8p h ALA 60 Cb 1.26 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1i8p h ALA 60 CO 0.74 0.21 -0.39 -0.44 0.00 0.00 0.00 179.25 179.36 1i8p h ASP 61 N 0.32 0.45 1.66 0.00 3.32 -2.00 -3.35 116.42 116.83 1i8p h ASP 61 Ca 0.08 -0.67 -0.00 0.00 0.02 0.00 0.00 57.03 56.46 1i8p h ASP 61 Cb 0.04 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1i8p h ASP 61 CO -0.01 1.05 -0.34 -0.55 -1.72 0.00 0.00 179.24 177.67 1i8p h ASN 62 N -0.12 0.00 0.16 6.45 7.08 -1.88 -3.25 115.58 124.02 1i8p h ASN 62 Ca -0.03 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.12 1i8p h ASN 62 Cb 1.06 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.29 1i8p h ASN 62 CO 0.08 0.02 -0.24 0.40 -2.08 0.00 0.00 177.43 175.61 1i8p h ILE 63 N 0.00 1.21 0.43 6.14 2.04 -1.44 -2.35 117.51 123.54 1i8p h ILE 63 Ca -0.00 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1i8p h ILE 63 Cb 1.02 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1i8p h ILE 63 CO 0.00 0.29 -0.39 0.58 0.00 0.00 0.00 178.15 178.64 1i8p h VAL 64 N 0.13 0.22 -0.47 1.67 2.07 -1.68 -1.03 116.25 117.16 1i8p h VAL 64 Ca 0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1i8p h VAL 64 Cb 0.50 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1i8p h VAL 64 CO 0.03 0.00 -0.03 1.55 0.02 0.00 0.00 177.57 179.14 1i8p h PRO 65 N -0.82 0.79 -0.76 1.57 0.13 -1.73 -2.63 132.00 128.55 1i8p h PRO 65 Ca -0.04 -0.23 0.17 0.00 -0.87 0.00 0.00 66.00 65.04 1i8p h PRO 65 Cb 0.72 -0.08 -0.12 0.00 0.13 0.00 0.00 31.00 31.65 1i8p h PRO 65 CO -0.04 0.82 0.15 -0.92 -0.23 0.00 0.00 178.00 177.78 1i8p h TYR 66 N 0.73 0.22 0.00 1.56 3.20 -1.12 -2.22 116.97 119.35 1i8p h TYR 66 Ca 0.14 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1i8p h TYR 66 Cb 0.49 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1i8p h TYR 66 CO 0.03 -0.13 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.20 1i8p h LEU 67 N 0.22 0.00 -0.67 2.82 3.38 -0.80 -2.10 115.31 118.17 1i8p h LEU 67 Ca 0.43 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.27 1i8p h LEU 67 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1i8p h LEU 67 CO -0.56 0.14 -0.42 0.00 0.09 0.00 0.00 178.44 177.70 1i8p h ALA 68 N 1.86 0.85 -1.07 1.53 0.00 -1.42 0.12 119.26 121.12 1i8p h ALA 68 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1i8p h ALA 68 Cb 0.44 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 17.92 1i8p h ALA 68 CO 0.02 0.65 -0.45 0.34 0.00 0.00 0.00 179.25 179.80 1i8p s ASP 69 N -6.86 -1.36 0.17 0.00 -1.08 -0.95 -4.35 116.67 102.24 1i8p s ASP 69 Ca -0.07 -0.62 -0.17 0.00 -0.52 0.00 0.00 52.55 51.16 1i8p s ASP 69 Cb 0.12 1.88 0.12 0.00 -1.46 0.00 0.00 42.92 43.58 1i8p s ASP 69 CO 0.82 -0.21 1.65 -0.65 0.52 0.00 0.00 175.17 177.31 1i8p h PRO 70 N 7.23 -0.03 -0.22 4.34 0.11 -1.64 -1.22 132.00 140.58 1i8p h PRO 70 Ca 0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1i8p h PRO 70 Cb 1.17 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1i8p h PRO 70 CO 0.12 -0.02 0.12 -0.91 -0.21 0.00 0.00 178.00 177.10 1i8p h ASN 71 N -0.03 0.27 -0.81 -2.05 2.35 -1.92 -1.69 115.58 111.71 1i8p h ASN 71 Ca 0.21 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1i8p h ASN 71 Cb 0.35 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 1i8p h ASN 71 CO -0.46 0.28 0.39 0.00 -1.65 0.00 0.00 177.43 176.00 1i8p h ALA 72 N 1.00 1.04 0.07 -0.83 0.00 -1.90 -1.40 119.26 117.24 1i8p h ALA 72 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1i8p h ALA 72 Cb 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1i8p h ALA 72 CO -0.01 0.60 -0.03 0.35 0.00 0.00 0.00 179.25 180.16 1i8p h PHE 73 N 1.14 -0.09 -0.47 0.00 3.57 -0.99 -0.88 116.94 119.23 1i8p h PHE 73 Ca 0.28 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 1i8p h PHE 73 Cb 0.11 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1i8p h PHE 73 CO 0.01 0.05 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.95 1i8p h LEU 74 N -0.20 0.87 -0.56 0.59 3.38 -1.13 -1.47 115.31 116.79 1i8p h LEU 74 Ca -0.01 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 1i8p h LEU 74 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1i8p h LEU 74 CO 0.02 1.00 0.02 0.11 0.09 0.00 0.00 178.44 179.68 1i8p h LYS 75 N 0.78 0.97 -0.47 1.13 1.57 -1.20 -1.83 116.57 117.52 1i8p h LYS 75 Ca 0.13 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 1i8p h LYS 75 Cb 0.64 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1i8p h LYS 75 CO 0.04 0.97 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.45 1i8p h LYS 76 N 0.86 0.98 -0.14 3.15 3.64 -1.09 -0.85 116.57 123.12 1i8p h LYS 76 Ca 0.16 -0.42 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1i8p h LYS 76 Cb 0.52 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1i8p h LYS 76 CO 0.03 1.09 -0.11 0.35 -2.27 0.00 0.00 179.45 178.54 1i8p h PHE 77 N 0.84 -0.26 -0.35 1.91 3.57 -1.10 0.16 116.94 121.71 1i8p h PHE 77 Ca 0.11 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1i8p h PHE 77 Cb 0.80 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1i8p h PHE 77 CO 0.05 -0.16 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.61 1i8p h LEU 78 N -0.12 0.77 -0.50 0.59 3.38 -1.25 -2.49 115.31 115.69 1i8p h LEU 78 Ca 0.09 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1i8p h LEU 78 Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1i8p h LEU 78 CO -0.21 1.01 0.32 0.74 0.09 0.00 0.00 178.44 180.39 1i8p h THR 79 N 0.63 1.11 0.00 0.22 2.02 -0.89 0.35 112.91 116.35 1i8p h THR 79 Ca 0.08 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1i8p h THR 79 Cb 0.80 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1i8p h THR 79 CO 0.07 0.12 -0.15 -0.33 0.37 0.00 0.00 175.52 175.60 1i8p h GLU 80 N 0.65 0.00 -0.10 6.66 5.08 -0.40 -0.97 114.58 125.50 1i8p h GLU 80 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1i8p h GLU 80 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1i8p h GLU 80 CO -0.05 0.15 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 1i8p n LYS 81 N -4.28 1.43 -0.92 2.33 4.76 -0.89 -4.89 118.16 115.70 1i8p n LYS 81 Ca -0.02 -0.65 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 1i8p n LYS 81 Cb 0.22 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1i8p n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i8p n GLY 82 N 0.98 0.53 2.21 0.72 0.00 -0.37 -4.94 105.19 104.32 1i8p n GLY 82 Ca 0.15 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 1i8p n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i8p n LYS 83 N -2.54 3.19 -0.23 1.61 5.02 0.06 -4.88 118.16 120.41 1i8p n LYS 83 Ca 0.00 -4.03 0.12 0.00 -2.02 0.00 0.00 58.31 52.38 1i8p n LYS 83 Cb 0.06 -2.13 0.40 0.00 -0.02 0.00 0.00 35.03 33.34 1i8p n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i8p h ALA 84 N 2.29 1.87 0.00 7.82 0.00 -1.80 0.20 119.26 129.63 1i8p h ALA 84 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1i8p h ALA 84 Cb 1.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1i8p h ALA 84 CO 0.63 -0.08 -0.01 0.38 0.00 0.00 0.00 179.25 180.17 1i8p h ASP 85 N 0.64 0.00 0.62 0.00 2.03 -1.92 -0.76 116.42 117.02 1i8p h ASP 85 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 1i8p h ASP 85 Cb 0.65 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1i8p h ASP 85 CO -0.16 0.01 -0.15 0.00 -1.03 0.00 0.00 179.24 177.91 1i8p n GLN 86 N -3.17 0.29 -1.80 4.15 6.02 0.69 -4.46 117.38 119.09 1i8p n GLN 86 Ca -0.02 -0.09 -0.34 0.00 -0.01 0.00 0.00 57.00 56.55 1i8p n GLN 86 Cb 0.16 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 1i8p n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i8p n ALA 87 N -1.28 6.51 -2.46 -1.58 0.00 -0.29 -4.71 120.51 116.69 1i8p n ALA 87 Ca 0.10 -3.65 -0.26 0.00 0.00 0.00 0.00 53.44 49.63 1i8p n ALA 87 Cb 0.31 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 1i8p n ALA 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1i8p s VAL 88 N -2.85 2.52 0.00 0.00 -7.23 -1.26 -4.94 120.40 106.64 1i8p s VAL 88 Ca 0.54 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1i8p s VAL 88 Cb 0.34 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1i8p s VAL 88 CO -0.23 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1i8p n GLY 89 N -0.09 -1.01 3.40 2.32 0.00 -1.26 -4.68 105.19 103.88 1i8p n GLY 89 Ca -0.10 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 1i8p n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i8p s VAL 90 N 0.00 0.05 0.47 1.61 -7.23 -1.26 -5.04 120.40 109.00 1i8p s VAL 90 Ca 0.00 -1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 58.79 1i8p s VAL 90 Cb 0.00 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 35.10 1i8p s VAL 90 CO 0.00 -0.24 1.00 0.28 -0.31 0.00 0.00 175.10 175.83 1i8p s THR 91 N -3.93 4.12 0.32 5.32 -1.32 -1.26 -4.65 115.64 114.23 1i8p s THR 91 Ca 0.14 1.28 0.37 0.00 -1.21 0.00 0.00 61.69 62.27 1i8p s THR 91 Cb 0.02 -3.53 0.41 0.00 -1.51 0.00 0.00 72.50 67.88 1i8p s THR 91 CO -0.01 -0.33 2.13 0.11 -2.21 0.00 0.00 174.62 174.31 1i8p h LYS 92 N 1.60 0.00 -6.39 7.08 1.57 -1.98 -3.42 116.57 115.03 1i8p h LYS 92 Ca -0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.72 1i8p h LYS 92 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 1i8p h LYS 92 CO 0.60 0.01 1.18 1.41 -0.57 0.00 0.00 179.45 182.08 1i8p s MET 93 N -3.86 3.44 -0.96 3.15 1.75 -1.26 -4.94 119.30 116.62 1i8p s MET 93 Ca -0.01 1.18 -0.03 0.00 -1.25 0.00 0.00 55.69 55.57 1i8p s MET 93 Cb 0.11 -4.12 0.24 0.00 2.84 0.00 0.00 34.83 33.90 1i8p s MET 93 CO 0.50 -1.73 0.90 0.25 -0.65 0.00 0.00 175.02 174.29 1i8p n THR 94 N 7.25 3.48 -3.63 10.11 -2.24 -1.26 -4.94 114.28 123.05 1i8p n THR 94 Ca 0.20 -5.22 -0.09 0.00 -2.27 0.00 0.00 64.05 56.66 1i8p n THR 94 Cb 0.47 -2.41 -0.07 0.00 -2.10 0.00 0.00 70.33 66.22 1i8p n THR 94 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1i8p s PHE 95 N -1.46 -0.47 0.01 4.78 2.19 -1.26 -5.17 117.98 116.60 1i8p s PHE 95 Ca 0.29 1.13 -0.02 0.00 0.33 0.00 0.00 56.93 58.66 1i8p s PHE 95 Cb -0.07 0.37 -0.01 0.00 -1.31 0.00 0.00 43.02 42.00 1i8p s PHE 95 CO -0.10 -0.24 0.03 0.15 1.83 0.00 0.00 175.22 176.88 1i8p s LYS 96 N 0.14 0.35 -0.23 10.12 1.02 -1.26 -4.65 119.74 125.24 1i8p s LYS 96 Ca 0.03 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1i8p s LYS 96 Cb -0.05 0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1i8p s LYS 96 CO -0.06 -0.07 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.09 1i8p s LEU 97 N -1.36 2.43 0.10 3.17 2.96 0.43 -5.01 118.68 121.40 1i8p s LEU 97 Ca -0.15 -1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 52.56 1i8p s LEU 97 Cb -0.09 -1.13 -0.16 0.00 0.50 0.00 0.00 46.19 45.31 1i8p s LEU 97 CO -0.00 -0.23 1.24 0.00 -1.32 0.00 0.00 176.35 176.04 1i8p h ALA 98 N 7.98 0.25 -2.35 5.97 0.00 -1.86 -3.32 119.26 125.93 1i8p h ALA 98 Ca -0.18 -0.72 -0.54 0.00 0.00 0.00 0.00 54.91 53.46 1i8p h ALA 98 Cb 1.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1i8p h ALA 98 CO 0.41 0.78 0.89 1.21 0.00 0.00 0.00 179.25 182.54 1i8p s ASN 99 N -7.17 6.81 0.18 0.00 3.84 -1.26 -4.92 114.94 112.42 1i8p s ASN 99 Ca -0.07 2.14 -0.09 0.00 0.21 0.00 0.00 52.86 55.04 1i8p s ASN 99 Cb 0.08 -2.56 0.08 0.00 -0.55 0.00 0.00 41.25 38.30 1i8p s ASN 99 CO 0.89 -0.76 1.66 -0.08 -2.79 0.00 0.00 177.10 176.02 1i8p h GLU 100 N 8.11 1.07 -0.41 0.43 4.81 -1.99 -2.03 114.58 124.56 1i8p h GLU 100 Ca -0.38 -0.30 -0.15 0.00 -0.13 0.00 0.00 59.36 58.40 1i8p h GLU 100 Cb 1.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1i8p h GLU 100 CO 0.92 1.01 -0.32 0.37 -0.73 0.00 0.00 179.01 180.25 1i8p h GLN 101 N 0.98 0.94 -0.31 1.92 5.75 -1.99 -1.08 115.11 121.32 1i8p h GLN 101 Ca 0.19 -0.47 -0.03 0.00 -0.15 0.00 0.00 58.65 58.19 1i8p h GLN 101 Cb 0.48 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1i8p h GLN 101 CO 0.02 1.13 0.07 1.96 -2.65 0.00 0.00 178.83 179.36 1i8p h GLN 102 N 0.77 0.45 -0.11 1.69 4.20 -1.92 -0.46 115.11 119.73 1i8p h GLN 102 Ca 0.08 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1i8p h GLN 102 Cb 0.91 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1i8p h GLN 102 CO 0.08 0.42 -0.13 0.00 -0.67 0.00 0.00 178.83 178.54 1i8p h ARG 103 N 0.44 0.28 -0.83 1.46 3.08 -1.05 -0.86 114.38 116.89 1i8p h ARG 103 Ca 0.11 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1i8p h ARG 103 Cb 0.18 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1i8p h ARG 103 CO -0.00 0.71 0.45 0.87 -1.07 0.00 0.00 179.97 180.92 1i8p h LYS 104 N -0.14 1.17 -0.36 0.04 1.57 -1.05 -1.58 116.57 116.21 1i8p h LYS 104 Ca 0.01 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1i8p h LYS 104 Cb 0.67 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1i8p h LYS 104 CO 0.03 0.86 -0.35 -0.44 -0.57 0.00 0.00 179.45 178.98 1i8p h ASP 105 N 1.17 0.87 0.57 0.86 3.32 -1.00 -1.41 116.42 120.80 1i8p h ASP 105 Ca 0.29 -0.38 -0.14 0.00 0.02 0.00 0.00 57.03 56.82 1i8p h ASP 105 Cb 0.04 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1i8p h ASP 105 CO -0.05 1.13 -0.65 1.62 -1.72 0.00 0.00 179.24 179.58 1i8p h VAL 106 N 0.68 1.45 -0.38 -1.35 3.04 -0.95 -1.43 116.25 117.31 1i8p h VAL 106 Ca 0.07 -2.18 -0.10 0.00 -1.01 0.00 0.00 66.70 63.48 1i8p h VAL 106 Cb 0.91 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 32.34 1i8p h VAL 106 CO 0.08 0.63 -0.16 0.58 -1.01 0.00 0.00 177.57 177.69 1i8p h VAL 107 N 0.05 1.26 -0.44 1.51 2.07 -1.14 0.36 116.25 119.93 1i8p h VAL 107 Ca -0.01 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1i8p h VAL 107 Cb 1.16 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1i8p h VAL 107 CO 0.09 0.40 0.18 0.00 0.02 0.00 0.00 177.57 178.26 1i8p h ALA 108 N 1.19 0.57 -0.65 1.67 0.00 -0.78 -1.34 119.26 119.93 1i8p h ALA 108 Ca 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1i8p h ALA 108 Cb 0.63 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1i8p h ALA 108 CO 0.04 0.17 0.42 -0.92 0.00 0.00 0.00 179.25 178.96 1i8p h TYR 109 N 0.56 0.80 -0.90 0.00 3.20 -0.93 -2.78 116.97 116.92 1i8p h TYR 109 Ca 0.15 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1i8p h TYR 109 Cb 0.18 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 1i8p h TYR 109 CO 0.00 0.49 0.59 -0.07 -1.64 0.00 0.00 178.16 177.53 1i8p h LEU 110 N 0.85 0.97 -2.39 2.82 3.38 -0.48 -0.82 115.31 119.63 1i8p h LEU 110 Ca 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1i8p h LEU 110 Cb -0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1i8p h LEU 110 CO -0.07 0.66 -0.03 0.00 0.09 0.00 0.00 178.44 179.09 1i8p h ALA 111 N 1.48 1.19 -0.01 1.53 0.00 -0.97 0.70 119.26 123.17 1i8p h ALA 111 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1i8p h ALA 111 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1i8p h ALA 111 CO -0.11 0.04 -0.08 0.25 0.00 0.00 0.00 179.25 179.35 1i8p n THR 112 N -3.39 0.00 -2.92 0.00 -2.24 -0.32 -4.58 114.28 100.82 1i8p n THR 112 Ca -0.02 -0.17 -0.44 0.00 -2.27 0.00 0.00 64.05 61.15 1i8p n THR 112 Cb 0.15 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1i8p n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i8p s LEU 113 N -2.18 4.95 0.00 3.22 1.43 0.24 -5.06 118.68 121.27 1i8p s LEU 113 Ca 0.35 -1.87 0.32 0.00 -1.03 0.00 0.00 54.13 51.90 1i8p s LEU 113 Cb 0.21 -2.40 1.90 0.00 0.03 0.00 0.00 46.19 45.93 1i8p s LEU 113 CO 0.40 -1.12 2.23 0.29 0.23 0.00 0.00 176.35 178.37