#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6d n ALA 2 N 0.00 -0.97 -2.60 3.04 0.00 -1.24 -4.83 120.51 113.90 1i6d n ALA 2 Ca 0.00 0.30 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 1i6d n ALA 2 Cb 0.00 -4.05 -0.11 0.00 0.00 0.00 0.00 19.45 15.29 1i6d n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i6d s ASP 3 N -2.92 5.95 0.38 0.00 -1.08 -1.26 -4.87 116.67 112.88 1i6d s ASP 3 Ca 0.36 -0.78 0.17 0.00 -0.52 0.00 0.00 52.55 51.78 1i6d s ASP 3 Cb -0.16 -2.11 0.77 0.00 -1.46 0.00 0.00 42.92 39.97 1i6d s ASP 3 CO 0.44 -0.36 1.80 1.55 0.52 0.00 0.00 175.17 179.12 1i6d h PRO 4 N 8.52 0.00 -0.20 4.34 0.13 -1.85 -1.43 132.00 141.51 1i6d h PRO 4 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1i6d h PRO 4 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1i6d h PRO 4 CO 0.68 0.36 0.10 0.00 -0.23 0.00 0.00 178.00 178.92 1i6d h ALA 5 N 1.64 0.25 -0.98 -0.56 0.00 -1.95 -1.04 119.26 116.61 1i6d h ALA 5 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1i6d h ALA 5 Cb 0.76 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1i6d h ALA 5 CO 0.05 -0.21 0.65 0.00 0.00 0.00 0.00 179.25 179.74 1i6d h ALA 6 N 0.99 1.33 -0.82 0.00 0.00 -1.91 -3.05 119.26 115.80 1i6d h ALA 6 Ca 0.07 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1i6d h ALA 6 Cb 0.08 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 1i6d h ALA 6 CO -0.01 0.60 0.54 0.78 0.00 0.00 0.00 179.25 181.16 1i6d h GLY 7 N 1.29 1.03 0.93 0.00 0.00 -1.13 -2.25 103.07 102.95 1i6d h GLY 7 Ca 0.37 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1i6d h GLY 7 CO -0.10 0.12 0.43 -2.09 0.00 0.00 0.00 176.54 174.90 1i6d h GLU 8 N 0.65 0.84 -0.36 4.80 4.22 -1.07 0.21 114.58 123.87 1i6d h GLU 8 Ca 0.40 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.67 1i6d h GLU 8 Cb 0.64 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1i6d h GLU 8 CO -0.16 0.56 -0.27 1.57 -2.18 0.00 0.00 179.01 178.52 1i6d h LYS 9 N 0.87 0.75 -0.88 1.92 2.10 -1.56 -3.18 116.57 116.58 1i6d h LYS 9 Ca 0.26 -0.32 0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1i6d h LYS 9 Cb -0.04 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.22 1i6d h LYS 9 CO -0.08 0.93 0.58 0.28 -2.00 0.00 0.00 179.45 179.17 1i6d h VAL 10 N 0.64 1.20 0.00 0.07 2.07 -1.32 -2.38 116.25 116.53 1i6d h VAL 10 Ca 0.08 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1i6d h VAL 10 Cb 0.79 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1i6d h VAL 10 CO 0.07 0.21 0.11 0.15 0.02 0.00 0.00 177.57 178.13 1i6d h PHE 11 N 1.17 0.00 -1.11 1.57 3.04 -0.93 -2.66 116.94 118.01 1i6d h PHE 11 Ca 0.33 0.00 0.34 0.00 3.98 0.00 0.00 57.97 62.63 1i6d h PHE 11 Cb -0.08 0.00 -0.13 0.00 2.56 0.00 0.00 35.95 38.30 1i6d h PHE 11 CO -0.00 0.00 0.68 0.78 -2.02 0.00 0.00 178.31 177.75 1i6d h GLY 12 N 0.00 1.61 1.93 2.40 0.00 -1.43 0.11 103.07 107.69 1i6d h GLY 12 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1i6d h GLY 12 CO 0.00 -0.37 -0.32 0.50 0.00 0.00 0.00 176.54 176.35 1i6d h LYS 13 N 0.27 0.08 0.09 4.80 1.57 -1.69 -3.36 116.57 118.32 1i6d h LYS 13 Ca 0.73 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 59.16 1i6d h LYS 13 Cb 1.92 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.20 1i6d h LYS 13 CO -0.47 0.39 -1.73 0.00 -0.57 0.00 0.00 179.45 177.08 1i6d h LYS 15 N 0.05 0.22 -0.59 0.00 2.10 -1.19 -1.55 116.57 115.61 1i6d h LYS 15 Ca -0.31 -0.01 0.07 0.00 -2.00 0.00 0.00 60.65 58.39 1i6d h LYS 15 Cb 2.02 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 33.26 1i6d h LYS 15 CO 0.12 0.15 0.39 0.00 -2.00 0.00 0.00 179.45 178.11 1i6d h ALA 16 N 1.73 1.86 0.00 0.07 0.00 -1.82 -3.32 119.26 117.78 1i6d h ALA 16 Ca 0.26 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.77 1i6d h ALA 16 Cb 0.71 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1i6d h ALA 16 CO -0.05 0.03 -2.45 0.00 0.00 0.00 0.00 179.25 176.78 1i6d s HIS 18 N -2.51 2.93 -0.13 0.00 3.76 -0.62 -1.58 115.29 117.13 1i6d s HIS 18 Ca -0.31 -0.49 0.18 0.00 -0.15 0.00 0.00 55.06 54.28 1i6d s HIS 18 Cb 0.08 -1.92 -0.13 0.00 1.11 0.00 0.00 32.58 31.72 1i6d s HIS 18 CO 0.63 -0.15 0.80 1.63 -0.85 0.00 0.00 174.74 176.80 1i6d n LYS 19 N 3.62 0.62 0.00 1.40 5.02 -1.26 -4.20 118.16 123.36 1i6d n LYS 19 Ca -0.18 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1i6d n LYS 19 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1i6d n LYS 19 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1i6d n LEU 20 N -2.84 0.00 -2.10 -0.35 4.77 -1.26 -4.86 117.00 110.36 1i6d n LEU 20 Ca -0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 1i6d n LEU 20 Cb 0.81 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.75 1i6d n LEU 20 CO 0.43 0.00 1.71 0.47 -1.33 0.00 0.00 177.39 178.67 1i6d n ASP 21 N 0.26 5.32 -1.37 -1.43 8.00 -1.26 -4.40 116.55 121.68 1i6d n ASP 21 Ca 0.00 -2.46 -0.07 0.00 0.71 0.00 0.00 54.79 52.97 1i6d n ASP 21 Cb 0.00 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 39.68 1i6d n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6d n GLY 22 N 2.59 0.53 3.02 0.44 0.00 -1.26 -4.95 105.19 105.55 1i6d n GLY 22 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 1i6d n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i6d s ASN 23 N -1.66 0.01 0.56 1.61 0.01 -1.26 -4.98 114.94 109.23 1i6d s ASN 23 Ca 0.00 -0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.05 1i6d s ASN 23 Cb 0.00 0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.86 1i6d s ASN 23 CO 0.00 -0.19 0.84 1.51 -1.51 0.00 0.00 177.10 177.75 1i6d s ASP 24 N -0.69 5.51 0.00 -1.22 1.47 -1.26 -4.11 116.67 116.37 1i6d s ASP 24 Ca -0.08 0.47 0.00 0.00 1.18 0.00 0.00 52.55 54.12 1i6d s ASP 24 Cb -0.05 -1.47 0.00 0.00 -0.34 0.00 0.00 42.92 41.06 1i6d s ASP 24 CO 0.00 -1.05 0.00 0.61 0.68 0.00 0.00 175.17 175.42 1i6d n GLY 25 N -2.46 0.53 0.09 2.12 0.00 -1.26 -4.99 105.19 99.21 1i6d n GLY 25 Ca 0.05 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1i6d n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i6d h VAL 26 N 0.00 1.23 -0.79 1.61 2.07 -1.91 -3.46 116.25 115.00 1i6d h VAL 26 Ca 0.00 -1.33 -0.53 0.00 0.82 0.00 0.00 66.70 65.66 1i6d h VAL 26 Cb 0.00 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1i6d h VAL 26 CO 0.00 0.32 -0.23 -0.83 0.02 0.00 0.00 177.57 176.84 1i6d s GLY 27 N -3.39 2.09 1.10 2.17 0.00 -0.62 -5.03 107.32 103.65 1i6d s GLY 27 Ca -0.15 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 42.73 1i6d s GLY 27 CO 0.60 -1.80 1.09 2.56 0.00 0.00 0.00 173.10 175.54 1i6d s PRO 28 N -4.41 -0.42 -0.31 2.90 0.04 -1.26 -4.65 135.00 126.88 1i6d s PRO 28 Ca 0.47 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1i6d s PRO 28 Cb -0.04 -1.66 -0.00 0.00 0.04 0.00 0.00 34.50 32.84 1i6d s PRO 28 CO 0.29 -3.26 1.38 -3.38 0.04 0.00 0.00 177.00 172.07 1i6d s HIS 29 N -2.91 2.52 -2.00 0.56 -3.43 -1.26 -4.20 115.29 104.58 1i6d s HIS 29 Ca 0.68 0.77 0.20 0.00 -0.80 0.00 0.00 55.06 55.91 1i6d s HIS 29 Cb -0.16 -4.01 1.19 0.00 -1.43 0.00 0.00 32.58 28.17 1i6d s HIS 29 CO 0.58 -1.97 1.63 1.28 -2.00 0.00 0.00 174.74 174.26 1i6d n LEU 30 N 8.04 0.00 -4.64 5.38 4.77 -1.26 -4.75 117.00 124.53 1i6d n LEU 30 Ca 0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 1i6d n LEU 30 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1i6d n LEU 30 CO 0.65 0.00 1.22 0.21 -1.33 0.00 0.00 177.39 178.14 1i6d s ASN 31 N -1.84 6.68 -0.17 -1.43 2.47 -1.26 -3.23 114.94 116.16 1i6d s ASN 31 Ca 0.30 1.64 -0.00 0.00 0.42 0.00 0.00 52.86 55.22 1i6d s ASN 31 Cb 0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1i6d s ASN 31 CO 0.23 -1.00 0.03 0.61 -3.72 0.00 0.00 177.10 173.25 1i6d n GLY 32 N 4.16 0.43 0.09 1.21 0.00 0.27 -4.90 105.19 106.45 1i6d n GLY 32 Ca 0.16 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 1i6d n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1i6d h VAL 33 N -0.07 1.28 -3.10 1.61 3.04 -1.77 -3.41 116.25 113.83 1i6d h VAL 33 Ca -0.05 -2.99 -0.57 0.00 -1.01 0.00 0.00 66.70 62.08 1i6d h VAL 33 Cb 1.04 2.72 -0.05 0.00 -2.01 0.00 0.00 31.29 32.99 1i6d h VAL 33 CO 0.06 0.80 1.03 -0.69 -1.01 0.00 0.00 177.57 177.76 1i6d s VAL 34 N -2.64 3.99 0.00 1.51 1.01 -1.26 -1.53 120.40 121.48 1i6d s VAL 34 Ca -0.05 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1i6d s VAL 34 Cb 0.08 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1i6d s VAL 34 CO 0.84 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1i6d n GLY 35 N 4.59 1.05 3.85 4.51 0.00 0.26 -4.98 105.19 114.46 1i6d n GLY 35 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1i6d n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i6d s ARG 36 N -0.67 3.99 0.55 1.61 3.52 -0.58 -4.48 118.95 122.88 1i6d s ARG 36 Ca 0.00 0.59 -0.21 0.00 -0.13 0.00 0.00 55.73 55.98 1i6d s ARG 36 Cb 0.00 -2.56 -0.05 0.00 -1.56 0.00 0.00 34.95 30.77 1i6d s ARG 36 CO 0.00 0.24 1.23 2.41 -0.81 0.00 0.00 175.30 178.37 1i6d n THR 37 N -0.12 3.67 -2.18 4.11 -1.04 -1.26 -0.35 114.28 117.11 1i6d n THR 37 Ca 0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.10 1i6d n THR 37 Cb 0.53 -1.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.53 1i6d n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i6d s VAL 38 N -1.34 3.74 -1.12 12.58 1.01 -0.49 -1.07 120.40 133.71 1i6d s VAL 38 Ca 0.72 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1i6d s VAL 38 Cb -0.43 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1i6d s VAL 38 CO 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.55 1i6d n ALA 39 N 6.11 -0.27 -1.57 5.51 0.00 -1.26 -4.75 120.51 124.28 1i6d n ALA 39 Ca 0.15 0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1i6d n ALA 39 Cb 0.43 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 1i6d n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6d n GLY 40 N -1.25 4.51 2.79 0.00 0.00 -0.24 -4.69 105.19 106.32 1i6d n GLY 40 Ca -0.13 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 1i6d n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6d s VAL 41 N -2.29 0.92 -0.72 1.61 1.01 -1.26 -4.82 120.40 114.85 1i6d s VAL 41 Ca 0.58 -1.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 1i6d s VAL 41 Cb 0.36 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1i6d s VAL 41 CO -0.22 -0.34 1.50 -1.81 0.00 0.00 0.00 175.10 174.23 1i6d s ASP 42 N 1.65 5.86 0.00 3.32 1.11 -1.26 -2.88 116.67 124.47 1i6d s ASP 42 Ca 0.01 -0.26 0.00 0.00 0.18 0.00 0.00 52.55 52.49 1i6d s ASP 42 Cb -0.18 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.26 1i6d s ASP 42 CO -0.13 -2.02 0.00 0.61 1.18 0.00 0.00 175.17 174.81 1i6d n GLY 43 N 5.61 1.81 3.75 0.21 0.00 -1.26 -5.15 105.19 110.17 1i6d n GLY 43 Ca 0.11 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1i6d n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i6d s PHE 44 N 0.00 3.29 -0.87 1.61 5.36 -1.14 -4.91 117.98 121.32 1i6d s PHE 44 Ca 0.00 0.28 -0.24 0.00 -0.96 0.00 0.00 56.93 56.01 1i6d s PHE 44 Cb 0.00 -1.82 0.06 0.00 -0.34 0.00 0.00 43.02 40.92 1i6d s PHE 44 CO 0.00 0.55 1.29 1.21 -1.46 0.00 0.00 175.22 176.81 1i6d s ASN 45 N -1.06 6.36 0.66 6.13 2.47 -1.26 -4.94 114.94 123.30 1i6d s ASN 45 Ca 0.15 -1.13 -0.11 0.00 0.42 0.00 0.00 52.86 52.19 1i6d s ASN 45 Cb -0.12 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.14 1i6d s ASN 45 CO 0.05 -1.56 1.05 -0.31 -3.72 0.00 0.00 177.10 172.60 1i6d s TYR 46 N 4.84 3.35 0.42 0.43 2.02 -1.26 -5.07 117.35 122.07 1i6d s TYR 46 Ca 0.38 1.36 -0.24 0.00 -0.37 0.00 0.00 57.07 58.20 1i6d s TYR 46 Cb -0.05 -2.81 -0.08 0.00 -0.40 0.00 0.00 41.96 38.62 1i6d s TYR 46 CO 0.01 -0.98 1.12 -1.54 -1.57 0.00 0.00 175.55 172.60 1i6d s SER 47 N -3.95 6.50 0.26 2.29 1.04 -1.26 -4.90 113.70 113.67 1i6d s SER 47 Ca 0.57 2.22 -0.02 0.00 0.48 0.00 0.00 55.95 59.20 1i6d s SER 47 Cb -0.13 -2.60 0.52 0.00 0.10 0.00 0.00 66.02 63.92 1i6d s SER 47 CO 0.54 -0.68 1.75 0.44 0.98 0.00 0.00 173.24 176.27 1i6d h ASP 48 N 2.41 0.45 -0.25 7.02 3.32 -1.98 -1.71 116.42 125.68 1i6d h ASP 48 Ca -0.49 0.10 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1i6d h ASP 48 Cb 1.23 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1i6d h ASP 48 CO 0.62 0.18 0.17 -0.65 -1.72 0.00 0.00 179.24 177.83 1i6d h PRO 49 N 0.56 0.21 -0.33 3.56 0.11 -1.85 0.38 132.00 134.64 1i6d h PRO 49 Ca 0.45 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.46 1i6d h PRO 49 Cb 0.67 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1i6d h PRO 49 CO -0.38 0.14 -0.14 1.98 -0.21 0.00 0.00 178.00 179.39 1i6d h MET 50 N 0.22 0.67 -0.24 1.05 4.05 -1.64 -2.96 114.93 116.07 1i6d h MET 50 Ca 0.10 -0.29 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 1i6d h MET 50 Cb 0.15 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1i6d h MET 50 CO -0.02 0.88 0.06 0.87 0.23 0.00 0.00 176.91 178.92 1i6d h LYS 51 N 0.44 0.39 -0.98 0.39 1.57 -1.03 -3.15 116.57 114.20 1i6d h LYS 51 Ca 0.07 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1i6d h LYS 51 Cb 0.67 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.84 1i6d h LYS 51 CO 0.04 0.50 0.19 0.00 -0.57 0.00 0.00 179.45 179.61 1i6d n ALA 52 N -2.30 3.45 0.02 3.86 0.00 0.10 -4.59 120.51 121.05 1i6d n ALA 52 Ca -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 53.44 52.46 1i6d n ALA 52 Cb 0.18 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 1i6d n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i6d h HIS 53 N 0.48 -0.15 -1.82 0.00 6.17 -1.47 -3.48 115.15 114.87 1i6d h HIS 53 Ca 0.18 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.26 1i6d h HIS 53 Cb 1.53 0.05 0.00 0.00 2.52 0.00 0.00 27.41 31.51 1i6d h HIS 53 CO 0.51 -0.02 0.00 0.41 0.71 0.00 0.00 177.93 179.54 1i6d n GLY 54 N 1.34 -1.34 0.00 5.26 0.00 -1.26 -5.13 105.19 104.06 1i6d n GLY 54 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1i6d n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6d n GLY 55 N -0.09 -1.83 3.18 -0.02 0.00 -1.26 -5.05 105.19 100.13 1i6d n GLY 55 Ca 0.00 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1i6d n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6d s ASP 56 N -0.58 1.72 -1.34 1.61 1.01 -1.26 -1.40 116.67 116.43 1i6d s ASP 56 Ca 0.00 -0.66 -0.15 0.00 0.71 0.00 0.00 52.55 52.44 1i6d s ASP 56 Cb 0.00 -0.05 0.08 0.00 1.01 0.00 0.00 42.92 43.96 1i6d s ASP 56 CO 0.00 -0.10 1.88 0.79 0.21 0.00 0.00 175.17 177.95 1i6d n TRP 57 N 1.11 4.18 -1.44 4.23 5.03 0.53 -4.89 117.44 126.19 1i6d n TRP 57 Ca -0.20 -2.94 -0.31 0.00 3.03 0.00 0.00 57.50 57.08 1i6d n TRP 57 Cb 0.55 -2.50 0.08 0.00 -1.03 0.00 0.00 31.31 28.40 1i6d n TRP 57 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1i6d s THR 58 N 3.25 3.55 0.20 -0.99 -4.23 -1.26 -0.58 115.64 115.58 1i6d s THR 58 Ca 0.49 0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 61.38 1i6d s THR 58 Cb 0.07 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.96 1i6d s THR 58 CO 0.01 -0.66 1.65 1.55 -0.54 0.00 0.00 174.62 176.63 1i6d h PRO 59 N -0.97 0.05 -0.46 3.99 0.13 -1.98 0.24 132.00 133.00 1i6d h PRO 59 Ca -0.45 -0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1i6d h PRO 59 Cb 1.23 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1i6d h PRO 59 CO 0.55 0.03 0.04 1.49 -0.23 0.00 0.00 178.00 179.88 1i6d h GLU 60 N 0.05 0.15 -0.21 0.86 4.81 -2.00 -0.94 114.58 117.30 1i6d h GLU 60 Ca 0.29 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1i6d h GLU 60 Cb 0.46 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1i6d h GLU 60 CO -0.56 0.10 0.01 0.00 -0.73 0.00 0.00 179.01 177.83 1i6d h ALA 61 N 1.39 0.28 -0.30 2.92 0.00 -1.82 -3.09 119.26 118.64 1i6d h ALA 61 Ca 0.23 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1i6d h ALA 61 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i6d h ALA 61 CO -0.35 -0.01 0.19 -0.07 0.00 0.00 0.00 179.25 179.02 1i6d h LEU 62 N 0.14 0.33 -1.34 0.00 3.38 -0.94 -1.43 115.31 115.44 1i6d h LEU 62 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1i6d h LEU 62 Cb 0.38 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1i6d h LEU 62 CO 0.01 0.24 0.23 0.06 0.09 0.00 0.00 178.44 179.07 1i6d h GLN 63 N 0.40 0.68 0.23 1.13 3.07 -1.28 0.16 115.11 119.49 1i6d h GLN 63 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 58.65 58.76 1i6d h GLN 63 Cb -0.03 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.40 1i6d h GLN 63 CO -0.03 0.53 -0.11 0.93 0.09 0.00 0.00 178.83 180.24 1i6d h GLU 64 N 0.68 -0.30 -0.75 0.06 5.08 -1.52 -2.25 114.58 115.59 1i6d h GLU 64 Ca 0.17 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1i6d h GLU 64 Cb 0.08 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1i6d h GLU 64 CO -0.02 -0.02 0.48 0.35 -1.00 0.00 0.00 179.01 178.80 1i6d h PHE 65 N -0.57 0.90 0.00 4.33 3.57 -1.16 -2.44 116.94 121.57 1i6d h PHE 65 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1i6d h PHE 65 Cb 0.42 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1i6d h PHE 65 CO 0.01 0.53 0.00 1.28 -2.23 0.00 0.00 178.31 177.90 1i6d n LEU 66 N -4.61 0.53 0.08 0.59 4.77 0.55 -1.17 117.00 117.73 1i6d n LEU 66 Ca 0.08 0.59 -0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1i6d n LEU 66 Cb 0.07 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 1i6d n LEU 66 CO 0.34 -0.29 0.44 0.74 -1.33 0.00 0.00 177.39 177.29 1i6d h THR 67 N 0.00 0.81 -2.69 -5.08 2.02 -1.13 0.18 112.91 107.01 1i6d h THR 67 Ca 0.00 -0.98 -0.41 0.00 0.77 0.00 0.00 66.41 65.79 1i6d h THR 67 Cb 0.51 1.30 -0.38 0.00 -1.74 0.00 0.00 68.15 67.84 1i6d h THR 67 CO 0.00 0.19 -0.70 0.21 0.37 0.00 0.00 175.52 175.59 1i6d s ASN 68 N -5.36 2.22 0.23 4.18 3.84 -0.94 -4.13 114.94 114.97 1i6d s ASN 68 Ca -0.13 -0.67 0.04 0.00 0.21 0.00 0.00 52.86 52.32 1i6d s ASN 68 Cb 0.01 0.04 0.21 0.00 -0.55 0.00 0.00 41.25 40.96 1i6d s ASN 68 CO 0.50 -0.37 1.53 1.55 -2.79 0.00 0.00 177.10 177.52 1i6d h PRO 69 N 8.36 0.22 -0.16 0.43 0.13 -1.35 -3.16 132.00 136.47 1i6d h PRO 69 Ca -0.17 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1i6d h PRO 69 Cb 1.11 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1i6d h PRO 69 CO 0.33 0.79 -0.24 0.87 -0.23 0.00 0.00 178.00 179.53 1i6d h LYS 70 N 0.15 0.28 -0.28 0.86 6.56 -1.87 -1.67 116.57 120.60 1i6d h LYS 70 Ca -0.01 -0.09 -0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1i6d h LYS 70 Cb 1.18 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.80 1i6d h LYS 70 CO 0.10 0.50 0.01 0.00 -2.06 0.00 0.00 179.45 178.00 1i6d h ALA 71 N 1.51 0.38 -0.01 3.86 0.00 -1.95 -3.24 119.26 119.81 1i6d h ALA 71 Ca 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1i6d h ALA 71 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1i6d h ALA 71 CO 0.04 0.12 -0.06 0.28 0.00 0.00 0.00 179.25 179.63 1i6d h VAL 72 N 0.29 1.55 -3.40 0.00 2.07 -1.59 -3.41 116.25 111.76 1i6d h VAL 72 Ca 0.08 -1.69 -0.71 0.00 0.82 0.00 0.00 66.70 65.20 1i6d h VAL 72 Cb 0.42 2.66 -0.32 0.00 -1.52 0.00 0.00 31.29 32.53 1i6d h VAL 72 CO 0.01 0.44 -0.44 -0.69 0.02 0.00 0.00 177.57 176.91 1i6d s VAL 73 N -3.40 3.83 -0.65 2.57 1.01 -0.63 -5.07 120.40 118.06 1i6d s VAL 73 Ca -0.17 -1.98 -0.27 0.00 0.00 0.00 0.00 61.98 59.56 1i6d s VAL 73 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1i6d s VAL 73 CO 0.70 -0.75 1.42 -0.75 0.00 0.00 0.00 175.10 175.71 1i6d s LYS 74 N 1.16 3.14 0.00 2.72 2.20 -1.22 -2.51 119.74 125.23 1i6d s LYS 74 Ca 0.08 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1i6d s LYS 74 Cb -0.24 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.89 1i6d s LYS 74 CO -0.02 -2.16 0.00 0.41 -0.36 0.00 0.00 175.35 173.21 1i6d n GLY 75 N 5.38 0.85 3.74 5.54 0.00 -1.26 -4.75 105.19 114.69 1i6d n GLY 75 Ca 0.09 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1i6d n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i6d s THR 76 N -2.31 4.15 -2.00 2.61 -1.32 -1.04 -4.43 115.64 111.29 1i6d s THR 76 Ca 0.00 1.92 0.09 0.00 -1.21 0.00 0.00 61.69 62.49 1i6d s THR 76 Cb 0.00 -4.23 0.25 0.00 -1.51 0.00 0.00 72.50 67.02 1i6d s THR 76 CO 0.00 0.36 1.01 2.29 -2.21 0.00 0.00 174.62 176.07 1i6d n LYS 77 N 2.20 0.56 -2.33 7.08 2.85 -1.26 -4.79 118.16 122.46 1i6d n LYS 77 Ca 0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.85 1i6d n LYS 77 Cb 0.47 -1.25 -0.02 0.00 -0.65 0.00 0.00 35.03 33.58 1i6d n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i6d s MET 78 N -2.00 3.37 -1.30 -1.58 1.75 -1.26 -4.96 119.30 113.31 1i6d s MET 78 Ca 0.13 0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 55.13 1i6d s MET 78 Cb 0.06 -4.11 0.10 0.00 2.84 0.00 0.00 34.83 33.73 1i6d s MET 78 CO 0.10 -1.84 1.77 0.00 -0.65 0.00 0.00 175.02 174.40 1i6d n ALA 79 N 9.53 4.21 -3.42 4.11 0.00 -1.26 -4.87 120.51 128.81 1i6d n ALA 79 Ca 0.15 -4.01 -0.14 0.00 0.00 0.00 0.00 53.44 49.43 1i6d n ALA 79 Cb 0.49 -3.38 -0.15 0.00 0.00 0.00 0.00 19.45 16.41 1i6d n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1i6d s PHE 80 N 2.89 0.07 -0.06 0.00 5.36 -1.26 -5.11 117.98 119.87 1i6d s PHE 80 Ca 0.48 0.06 -0.02 0.00 -0.96 0.00 0.00 56.93 56.49 1i6d s PHE 80 Cb 0.05 -0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.53 1i6d s PHE 80 CO 0.02 -0.06 0.12 0.00 -1.46 0.00 0.00 175.22 173.84 1i6d h ALA 81 N 6.85 -0.11 0.00 11.12 0.00 -1.94 -3.41 119.26 131.78 1i6d h ALA 81 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1i6d h ALA 81 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i6d h ALA 81 CO 0.49 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1i6d n GLY 82 N 1.57 2.20 3.41 0.00 0.00 -1.26 -4.40 105.19 106.70 1i6d n GLY 82 Ca -0.01 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 1i6d n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6d s LEU 83 N 0.00 5.30 0.28 0.99 1.43 0.62 -4.99 118.68 122.32 1i6d s LEU 83 Ca 0.00 -1.19 0.11 0.00 -1.03 0.00 0.00 54.13 52.01 1i6d s LEU 83 Cb 0.00 -2.34 0.39 0.00 0.03 0.00 0.00 46.19 44.27 1i6d s LEU 83 CO 0.00 -0.89 1.63 1.55 0.23 0.00 0.00 176.35 178.87 1i6d h PRO 84 N 8.98 0.01 -5.87 1.29 0.13 -1.90 -3.40 132.00 131.24 1i6d h PRO 84 Ca -0.28 -0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.26 1i6d h PRO 84 Cb 1.10 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.15 1i6d h PRO 84 CO 0.99 0.59 0.46 0.15 -0.23 0.00 0.00 178.00 179.96 1i6d s LYS 85 N -3.68 4.24 0.23 0.86 1.02 -1.26 -4.99 119.74 116.15 1i6d s LYS 85 Ca -0.02 1.00 -0.07 0.00 0.02 0.00 0.00 55.97 56.91 1i6d s LYS 85 Cb 0.13 -3.62 0.37 0.00 -0.52 0.00 0.00 37.83 34.19 1i6d s LYS 85 CO 0.76 -0.45 1.72 0.97 -0.92 0.00 0.00 175.35 177.43 1i6d h ILE 86 N 5.33 0.65 -0.63 2.17 6.09 -2.00 -2.35 117.51 126.77 1i6d h ILE 86 Ca -0.25 -0.12 0.12 0.00 -1.37 0.00 0.00 64.86 63.25 1i6d h ILE 86 Cb 1.11 0.28 -0.09 0.00 0.47 0.00 0.00 36.82 38.58 1i6d h ILE 86 CO 0.87 0.06 0.13 1.05 -3.07 0.00 0.00 178.15 177.18 1i6d h GLU 87 N 0.34 0.24 -0.45 2.19 4.11 -1.99 -0.78 114.58 118.24 1i6d h GLU 87 Ca 0.36 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.64 1i6d h GLU 87 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1i6d h GLU 87 CO -0.41 0.16 -0.25 -0.44 0.07 0.00 0.00 179.01 178.15 1i6d h ASP 88 N 0.25 0.96 0.28 3.06 5.19 -1.88 0.45 116.42 124.73 1i6d h ASP 88 Ca 0.34 -0.38 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1i6d h ASP 88 Cb 0.52 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1i6d h ASP 88 CO -0.44 1.15 -0.24 0.03 -3.12 0.00 0.00 179.24 176.63 1i6d h ARG 89 N 0.80 -0.51 -0.60 3.56 3.08 -1.35 -1.97 114.38 117.39 1i6d h ARG 89 Ca 0.10 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1i6d h ARG 89 Cb 0.81 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.94 1i6d h ARG 89 CO 0.07 -0.34 0.38 0.00 -1.07 0.00 0.00 179.97 179.01 1i6d h ALA 90 N 0.12 0.78 -0.28 0.04 0.00 -1.11 -1.22 119.26 117.59 1i6d h ALA 90 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1i6d h ALA 90 Cb 0.47 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1i6d h ALA 90 CO -0.02 0.14 -0.04 -0.91 0.00 0.00 0.00 179.25 178.41 1i6d h ASN 91 N 0.76 -0.19 -0.50 0.00 2.35 -0.97 -1.57 115.58 115.45 1i6d h ASN 91 Ca 0.24 0.07 0.04 0.00 -0.55 0.00 0.00 56.30 56.10 1i6d h ASN 91 Cb -0.01 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1i6d h ASN 91 CO -0.08 -0.06 0.26 0.25 -1.65 0.00 0.00 177.43 176.14 1i6d h LEU 92 N 0.04 0.39 -0.64 1.61 5.85 -1.27 -2.10 115.31 119.18 1i6d h LEU 92 Ca 0.13 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1i6d h LEU 92 Cb 0.19 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1i6d h LEU 92 CO -0.26 0.27 0.37 0.40 -0.34 0.00 0.00 178.44 178.88 1i6d h ILE 93 N 0.51 1.19 -0.73 4.05 2.04 -1.13 0.31 117.51 123.76 1i6d h ILE 93 Ca 0.21 -0.45 0.10 0.00 1.00 0.00 0.00 64.86 65.72 1i6d h ILE 93 Cb 0.10 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1i6d h ILE 93 CO -0.14 0.20 0.36 0.00 0.00 0.00 0.00 178.15 178.58 1i6d h ALA 94 N 1.18 1.01 -0.15 1.87 0.00 -1.26 -0.54 119.26 121.38 1i6d h ALA 94 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1i6d h ALA 94 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1i6d h ALA 94 CO -0.04 -0.05 0.10 -0.92 0.00 0.00 0.00 179.25 178.34 1i6d h TYR 95 N 0.60 0.19 -0.06 0.00 3.20 -1.04 -2.09 116.97 117.78 1i6d h TYR 95 Ca 0.36 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 1i6d h TYR 95 Cb 0.40 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1i6d h TYR 95 CO -0.11 0.12 0.02 -0.07 -1.64 0.00 0.00 178.16 176.48 1i6d h LEU 96 N 0.20 0.07 -0.10 2.82 3.38 -0.80 0.25 115.31 121.13 1i6d h LEU 96 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1i6d h LEU 96 Cb -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1i6d h LEU 96 CO -0.01 0.08 0.03 -0.33 0.09 0.00 0.00 178.44 178.29 1i6d h GLU 97 N 0.08 0.16 -0.75 1.13 5.08 -1.06 -3.34 114.58 115.88 1i6d h GLU 97 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1i6d h GLU 97 Cb 0.04 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1i6d h GLU 97 CO -0.00 0.33 0.37 0.78 -1.00 0.00 0.00 179.01 179.49 1i6d h GLY 98 N -0.04 1.13 -7.27 -3.84 0.00 -1.00 -3.31 103.07 88.73 1i6d h GLY 98 Ca 0.03 -0.53 -0.69 0.00 0.00 0.00 0.00 47.33 46.14 1i6d h GLY 98 CO -0.00 0.51 2.43 -1.06 0.00 0.00 0.00 176.54 178.42 1i6d n GLN 99 N -4.33 3.12 0.00 4.80 1.13 0.04 -5.06 117.38 117.08 1i6d n GLN 99 Ca 0.07 -3.12 0.14 0.00 -1.94 0.00 0.00 57.00 52.15 1i6d n GLN 99 Cb 0.12 -3.40 0.44 0.00 0.11 0.00 0.00 30.24 27.52 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56