#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 s GLN 3 N 0.00 3.28 -0.30 5.31 -0.21 -1.26 -4.68 119.66 121.79 3mr8 s GLN 3 Ca 0.00 0.01 0.03 0.00 0.02 0.00 0.00 55.36 55.42 3mr8 s GLN 3 Cb 0.00 -2.38 0.08 0.00 1.00 0.00 0.00 33.01 31.71 3mr8 s GLN 3 CO 0.00 -0.35 -0.02 0.71 -2.12 0.00 0.00 175.29 173.51 3mr8 s TYR 4 N -2.77 3.52 0.10 0.91 1.51 -0.60 -4.93 117.35 115.10 3mr8 s TYR 4 Ca 0.49 -2.66 0.04 0.00 -1.01 0.00 0.00 57.07 53.93 3mr8 s TYR 4 Cb -0.10 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 3mr8 s TYR 4 CO 0.43 -0.91 0.08 -0.47 -1.11 0.00 0.00 175.55 173.57 3mr8 s TYR 5 N 1.00 3.14 -0.12 2.71 6.14 -1.25 -1.81 117.35 127.17 3mr8 s TYR 5 Ca 0.01 0.03 -0.30 0.00 0.64 0.00 0.00 57.07 57.46 3mr8 s TYR 5 Cb -0.20 -1.58 0.09 0.00 0.42 0.00 0.00 41.96 40.69 3mr8 s TYR 5 CO -0.06 0.51 0.78 0.20 0.64 0.00 0.00 175.55 177.62 3mr8 s GLY 6 N -2.54 -0.48 -0.15 8.97 0.00 -1.16 -3.36 107.32 108.60 3mr8 s GLY 6 Ca 0.29 1.65 -0.15 0.00 0.00 0.00 0.00 44.72 46.51 3mr8 s GLY 6 CO 0.22 1.12 0.34 -1.59 0.00 0.00 0.00 173.10 173.19 3mr8 s THR 7 N -0.90 5.28 0.04 0.90 2.01 -1.26 -2.30 115.64 119.41 3mr8 s THR 7 Ca -0.07 0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.63 3mr8 s THR 7 Cb -0.01 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3mr8 s THR 7 CO 0.06 0.37 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.45 3mr8 s GLY 8 N 0.53 1.77 -0.29 4.40 0.00 -0.34 -4.13 107.32 109.27 3mr8 s GLY 8 Ca 0.19 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 43.57 3mr8 s GLY 8 CO 0.05 -1.00 1.09 -1.60 0.00 0.00 0.00 173.10 171.64 3mr8 s ARG 9 N -1.71 0.41 -0.30 2.90 3.52 -1.26 -0.44 118.95 122.07 3mr8 s ARG 9 Ca 0.19 0.51 -0.17 0.00 -0.13 0.00 0.00 55.73 56.14 3mr8 s ARG 9 Cb -0.11 0.18 0.20 0.00 -1.56 0.00 0.00 34.95 33.66 3mr8 s ARG 9 CO 0.10 -0.05 1.23 0.50 -0.81 0.00 0.00 175.30 176.27 3mr8 s ARG 10 N 0.36 0.08 -1.34 5.12 3.00 -1.13 -4.72 118.95 120.31 3mr8 s ARG 10 Ca 0.02 0.15 -0.07 0.00 -1.00 0.00 0.00 55.73 54.84 3mr8 s ARG 10 Cb -0.05 0.04 0.02 0.00 0.00 0.00 0.00 34.95 34.96 3mr8 s ARG 10 CO -0.09 -0.02 1.07 1.63 0.00 0.00 0.00 175.30 177.89 3mr8 n LYS 11 N 3.53 -7.03 -1.99 5.12 5.02 -1.26 -1.39 118.16 120.17 3mr8 n LYS 11 Ca -0.15 0.78 -0.17 0.00 -2.02 0.00 0.00 58.31 56.76 3mr8 n LYS 11 Cb 0.56 -5.77 -0.04 0.00 -0.02 0.00 0.00 35.03 29.77 3mr8 n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3mr8 n GLU 12 N -4.68 -1.67 -3.57 1.97 1.02 -1.26 -4.35 120.64 108.10 3mr8 n GLU 12 Ca -0.09 0.91 -0.40 0.00 -0.02 0.00 0.00 57.16 57.56 3mr8 n GLU 12 Cb 0.59 -5.40 -0.06 0.00 -0.02 0.00 0.00 31.44 26.55 3mr8 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mr8 s ALA 13 N -2.66 3.95 0.87 0.62 0.00 -0.48 -3.45 121.76 120.61 3mr8 s ALA 13 Ca 0.00 -3.46 -0.12 0.00 0.00 0.00 0.00 51.96 48.39 3mr8 s ALA 13 Cb 0.00 -3.00 0.12 0.00 0.00 0.00 0.00 23.12 20.24 3mr8 s ALA 13 CO 0.00 -2.17 1.10 0.08 0.00 0.00 0.00 175.76 174.76 3mr8 s VAL 14 N -0.38 2.69 -0.29 0.00 1.01 -1.03 -2.85 120.40 119.55 3mr8 s VAL 14 Ca 0.21 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 3mr8 s VAL 14 Cb -0.14 -2.81 0.19 0.00 0.00 0.00 0.00 36.38 33.62 3mr8 s VAL 14 CO -0.07 -0.29 0.79 0.00 0.00 0.00 0.00 175.10 175.52 3mr8 s ALA 15 N -3.03 -3.05 0.54 5.51 0.00 0.41 -1.51 121.76 120.63 3mr8 s ALA 15 Ca 0.63 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 53.64 3mr8 s ALA 15 Cb -0.17 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 3mr8 s ALA 15 CO 0.56 -1.85 1.22 1.03 0.00 0.00 0.00 175.76 176.71 3mr8 s ARG 16 N 2.89 3.25 -0.39 0.00 0.52 -0.83 -1.19 118.95 123.19 3mr8 s ARG 16 Ca 0.16 1.87 0.01 0.00 -0.52 0.00 0.00 55.73 57.25 3mr8 s ARG 16 Cb -0.08 -2.12 0.12 0.00 0.52 0.00 0.00 34.95 33.39 3mr8 s ARG 16 CO -0.23 -0.99 0.18 0.08 0.02 0.00 0.00 175.30 174.35 3mr8 s VAL 17 N -1.54 1.27 -0.62 3.52 1.01 -0.97 -1.11 120.40 121.95 3mr8 s VAL 17 Ca 0.72 -2.13 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 3mr8 s VAL 17 Cb -0.31 -1.91 0.13 0.00 0.00 0.00 0.00 36.38 34.28 3mr8 s VAL 17 CO 0.35 -0.80 0.66 -0.36 0.00 0.00 0.00 175.10 174.95 3mr8 s PHE 18 N 0.84 3.19 -0.06 5.22 0.40 0.47 -2.98 117.98 125.06 3mr8 s PHE 18 Ca 0.14 -1.23 -0.05 0.00 -0.60 0.00 0.00 56.93 55.20 3mr8 s PHE 18 Cb -0.22 -3.92 -0.04 0.00 0.51 0.00 0.00 43.02 39.35 3mr8 s PHE 18 CO -0.09 -1.17 0.15 -1.17 0.70 0.00 0.00 175.22 173.65 3mr8 s LEU 19 N 1.98 4.34 -0.10 -0.37 0.20 -0.75 -0.63 118.68 123.35 3mr8 s LEU 19 Ca 0.10 0.39 -0.03 0.00 0.69 0.00 0.00 54.13 55.28 3mr8 s LEU 19 Cb -0.24 -2.32 0.05 0.00 -0.43 0.00 0.00 46.19 43.25 3mr8 s LEU 19 CO 0.02 0.33 0.12 -0.13 -0.29 0.00 0.00 176.35 176.41 3mr8 s ARG 20 N -1.48 0.02 0.18 1.98 0.52 0.14 -1.55 118.95 118.77 3mr8 s ARG 20 Ca 0.21 0.35 -0.33 0.00 -0.52 0.00 0.00 55.73 55.44 3mr8 s ARG 20 Cb -0.12 -0.74 -0.14 0.00 0.52 0.00 0.00 34.95 34.47 3mr8 s ARG 20 CO 0.11 -0.42 1.46 -2.30 0.02 0.00 0.00 175.30 174.17 3mr8 n PRO 21 N 5.31 1.93 0.00 3.54 -0.02 -1.26 0.03 135.00 144.54 3mr8 n PRO 21 Ca -0.05 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3mr8 n PRO 21 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3mr8 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mr8 n GLY 22 N 2.75 -0.94 0.00 -1.23 0.00 -0.33 -4.69 105.19 100.74 3mr8 n GLY 22 Ca 0.15 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3mr8 n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mr8 n ASN 23 N 0.00 0.00 0.00 1.61 5.03 -1.26 -3.94 115.26 116.70 3mr8 n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3mr8 n ASN 23 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3mr8 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mr8 n GLY 24 N 2.81 0.00 3.62 7.41 0.00 -1.19 0.91 105.19 118.74 3mr8 n GLY 24 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3mr8 n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mr8 s LYS 25 N 0.00 3.49 -0.27 1.61 2.20 -1.26 -4.79 119.74 120.72 3mr8 s LYS 25 Ca 0.00 2.25 -0.03 0.00 -0.36 0.00 0.00 55.97 57.82 3mr8 s LYS 25 Cb 0.00 -4.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.04 3mr8 s LYS 25 CO 0.00 -1.70 -0.01 0.08 -0.36 0.00 0.00 175.35 173.36 3mr8 s VAL 26 N 6.95 3.25 -0.12 4.02 1.01 -1.26 -2.58 120.40 131.66 3mr8 s VAL 26 Ca 0.96 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 3mr8 s VAL 26 Cb -0.37 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3mr8 s VAL 26 CO 0.38 0.12 -0.06 -0.89 0.00 0.00 0.00 175.10 174.64 3mr8 s THR 27 N 1.37 3.72 -0.16 3.92 2.01 -0.47 -1.66 115.64 124.38 3mr8 s THR 27 Ca 0.00 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 3mr8 s THR 27 Cb -0.17 -2.58 0.05 0.00 0.01 0.00 0.00 72.50 69.81 3mr8 s THR 27 CO -0.02 0.54 0.06 -0.69 -0.69 0.00 0.00 174.62 173.82 3mr8 s VAL 28 N -0.08 0.14 -1.46 3.82 1.01 -1.26 -1.70 120.40 120.88 3mr8 s VAL 28 Ca 0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 3mr8 s VAL 28 Cb -0.13 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.63 3mr8 s VAL 28 CO 0.03 -0.17 1.04 0.59 0.00 0.00 0.00 175.10 176.58 3mr8 n ASN 29 N 5.20 -5.06 -0.19 3.32 4.13 -0.46 -4.57 115.26 117.64 3mr8 n ASN 29 Ca -0.07 -0.70 0.01 0.00 1.68 0.00 0.00 54.58 55.50 3mr8 n ASN 29 Cb 0.49 -4.30 -0.00 0.00 -1.54 0.00 0.00 39.78 34.43 3mr8 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mr8 n GLY 30 N -1.78 -2.03 5.92 7.41 0.00 -1.26 -5.04 105.19 108.41 3mr8 n GLY 30 Ca 0.00 -1.41 0.04 0.00 0.00 0.00 0.00 46.02 44.66 3mr8 n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mr8 n GLN 31 N -0.78 -0.55 -4.37 1.61 1.13 -1.26 -4.87 117.38 108.28 3mr8 n GLN 31 Ca 0.00 0.36 -0.26 0.00 -1.94 0.00 0.00 57.00 55.17 3mr8 n GLN 31 Cb 0.04 -0.67 -0.10 0.00 0.11 0.00 0.00 30.24 29.61 3mr8 n GLN 31 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3mr8 s ASP 32 N -4.59 3.86 0.08 1.08 -1.08 -1.26 -4.06 116.67 110.71 3mr8 s ASP 32 Ca 0.00 -0.77 -0.30 0.00 -0.52 0.00 0.00 52.55 50.95 3mr8 s ASP 32 Cb 0.00 -0.48 -0.16 0.00 -1.46 0.00 0.00 42.92 40.82 3mr8 s ASP 32 CO 0.00 0.09 1.64 0.15 0.52 0.00 0.00 175.17 177.57 3mr8 h PHE 33 N 2.81 -0.73 0.00 -5.34 3.57 -1.65 0.48 116.94 116.07 3mr8 h PHE 33 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3mr8 h PHE 33 Cb 1.22 0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.22 3mr8 h PHE 33 CO 0.70 -0.43 0.00 0.09 -2.23 0.00 0.00 178.31 176.44 3mr8 n ASN 34 N -5.41 0.60 -0.08 0.41 4.13 -1.26 -1.94 115.26 111.71 3mr8 n ASN 34 Ca -0.11 0.72 -0.20 0.00 1.68 0.00 0.00 54.58 56.67 3mr8 n ASN 34 Cb 0.31 -0.82 -0.12 0.00 -1.54 0.00 0.00 39.78 37.61 3mr8 n ASN 34 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3mr8 h GLU 35 N 0.00 0.04 -0.05 3.52 4.57 -1.59 -3.41 114.58 117.66 3mr8 h GLU 35 Ca 0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3mr8 h GLU 35 Cb 0.16 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3mr8 h GLU 35 CO 0.00 1.03 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.92 3mr8 h TYR 36 N -0.89 0.12 -3.16 0.92 3.20 0.08 -3.39 116.97 113.85 3mr8 h TYR 36 Ca -0.26 -0.03 -0.65 0.00 3.14 0.00 0.00 58.73 60.93 3mr8 h TYR 36 Cb 1.30 -0.03 -0.16 0.00 1.54 0.00 0.00 36.73 39.39 3mr8 h TYR 36 CO 0.15 0.47 0.28 -0.06 -1.64 0.00 0.00 178.16 177.35 3mr8 s PHE 37 N -4.63 2.92 -0.16 -3.82 0.40 -0.82 -5.02 117.98 106.85 3mr8 s PHE 37 Ca -0.15 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 3mr8 s PHE 37 Cb 0.03 -3.83 0.03 0.00 0.51 0.00 0.00 43.02 39.76 3mr8 s PHE 37 CO 0.69 -1.22 -0.13 -1.14 0.70 0.00 0.00 175.22 174.13 3mr8 s GLN 38 N 3.24 2.16 0.00 0.44 0.74 -1.26 -4.66 119.66 120.31 3mr8 s GLN 38 Ca 0.21 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 55.03 3mr8 s GLN 38 Cb -0.17 -2.13 0.00 0.00 1.10 0.00 0.00 33.01 31.81 3mr8 s GLN 38 CO 0.14 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 3mr8 n GLY 39 N 4.77 0.58 2.91 2.59 0.00 -1.26 -5.07 105.19 109.71 3mr8 n GLY 39 Ca -0.16 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 3mr8 n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr8 s LEU 40 N -0.21 1.30 0.33 0.99 1.43 -1.26 -5.03 118.68 116.22 3mr8 s LEU 40 Ca 0.00 -0.17 0.18 0.00 -1.03 0.00 0.00 54.13 53.10 3mr8 s LEU 40 Cb 0.00 -0.55 0.15 0.00 0.03 0.00 0.00 46.19 45.81 3mr8 s LEU 40 CO 0.00 -0.06 1.49 0.58 0.23 0.00 0.00 176.35 178.59 3mr8 h VAL 41 N 6.13 0.58 0.00 -1.59 2.07 -1.98 -3.07 116.25 118.38 3mr8 h VAL 41 Ca -0.34 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.36 3mr8 h VAL 41 Cb 1.15 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 3mr8 h VAL 41 CO 0.44 0.33 0.00 0.03 0.02 0.00 0.00 177.57 178.39 3mr8 h ARG 42 N 0.00 0.00 0.76 1.57 3.08 -1.98 -3.15 114.38 114.65 3mr8 h ARG 42 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3mr8 h ARG 42 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 3mr8 h ARG 42 CO 0.04 0.00 -0.46 0.00 -1.07 0.00 0.00 179.97 178.48 3mr8 h ALA 43 N 2.19 -1.19 0.00 0.04 0.00 -1.94 -1.40 119.26 116.96 3mr8 h ALA 43 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3mr8 h ALA 43 Cb 0.32 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3mr8 h ALA 43 CO 0.00 -1.18 0.00 -0.39 0.00 0.00 0.00 179.25 177.68 3mr8 h VAL 44 N -1.14 0.00 0.00 0.00 -1.51 -1.76 -1.92 116.25 109.91 3mr8 h VAL 44 Ca -0.10 -0.18 -0.15 0.00 -1.23 0.00 0.00 66.70 65.04 3mr8 h VAL 44 Cb 0.92 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 3mr8 h VAL 44 CO 0.10 0.00 -0.70 0.00 -1.23 0.00 0.00 177.57 175.74 3mr8 h ALA 45 N 2.07 0.69 0.00 5.19 0.00 -1.35 -3.11 119.26 122.75 3mr8 h ALA 45 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 3mr8 h ALA 45 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mr8 h ALA 45 CO 0.00 0.88 -0.33 0.00 0.00 0.00 0.00 179.25 179.80 3mr8 h ALA 46 N 1.30 1.17 -0.06 0.00 0.00 -0.44 -1.95 119.26 119.27 3mr8 h ALA 46 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3mr8 h ALA 46 Cb 1.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3mr8 h ALA 46 CO 0.09 0.42 0.00 1.28 0.00 0.00 0.00 179.25 181.04 3mr8 n LEU 47 N -3.74 0.47 -0.27 0.00 4.32 -1.18 -4.21 117.00 112.41 3mr8 n LEU 47 Ca -0.01 -0.21 0.04 0.00 -0.02 0.00 0.00 56.01 55.81 3mr8 n LEU 47 Cb 0.43 -0.04 0.18 0.00 -1.62 0.00 0.00 43.42 42.37 3mr8 n LEU 47 CO 0.36 0.11 1.07 -0.08 -1.22 0.00 0.00 177.39 177.63 3mr8 h GLU 48 N 0.59 0.58 -0.05 3.23 4.57 -1.43 0.69 114.58 122.76 3mr8 h GLU 48 Ca 0.00 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3mr8 h GLU 48 Cb 0.13 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3mr8 h GLU 48 CO 0.00 0.38 0.03 -1.00 -1.18 0.00 0.00 179.01 177.25 3mr8 h PRO 49 N 0.60 0.00 -0.03 0.92 0.13 -1.83 -0.59 132.00 131.20 3mr8 h PRO 49 Ca 0.41 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.37 3mr8 h PRO 49 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3mr8 h PRO 49 CO -0.33 0.00 -0.73 -0.07 -0.23 0.00 0.00 178.00 176.64 3mr8 h LEU 50 N 0.00 0.24 -0.16 1.56 3.38 -1.18 -2.81 115.31 116.34 3mr8 h LEU 50 Ca 0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3mr8 h LEU 50 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mr8 h LEU 50 CO -0.00 0.89 -0.28 0.03 0.09 0.00 0.00 178.44 179.17 3mr8 h ARG 51 N 0.13 0.00 -0.00 1.13 3.08 -0.75 -2.47 114.38 115.49 3mr8 h ARG 51 Ca -0.02 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.82 3mr8 h ARG 51 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3mr8 h ARG 51 CO 0.11 0.28 -0.88 0.00 -1.07 0.00 0.00 179.97 178.41 3mr8 h ALA 52 N 1.72 0.49 0.00 0.04 0.00 -1.08 -3.18 119.26 117.25 3mr8 h ALA 52 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3mr8 h ALA 52 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3mr8 h ALA 52 CO 0.04 0.87 -0.18 1.33 0.00 0.00 0.00 179.25 181.31 3mr8 n VAL 53 N -3.70 0.03 -2.77 0.00 0.24 -1.07 -4.94 118.33 106.12 3mr8 n VAL 53 Ca -0.04 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.14 3mr8 n VAL 53 Cb 0.80 -0.25 0.02 0.00 -1.47 0.00 0.00 33.84 32.95 3mr8 n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3mr8 n ASP 54 N -1.54 -3.69 -2.98 -1.34 8.00 -1.13 -4.98 116.55 108.90 3mr8 n ASP 54 Ca 0.06 -0.17 -0.14 0.00 0.71 0.00 0.00 54.79 55.25 3mr8 n ASP 54 Cb 0.34 -2.43 0.02 0.00 -0.02 0.00 0.00 41.12 39.03 3mr8 n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mr8 n ALA 55 N -3.04 1.52 0.02 2.24 0.00 -0.95 -5.00 120.51 115.31 3mr8 n ALA 55 Ca -0.02 -2.79 -0.01 0.00 0.00 0.00 0.00 53.44 50.62 3mr8 n ALA 55 Cb 0.54 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 19.00 3mr8 n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3mr8 h LEU 56 N 2.94 -0.05 -7.71 0.00 6.46 -1.94 -3.35 115.31 111.66 3mr8 h LEU 56 Ca 0.00 0.00 -0.75 0.00 -0.12 0.00 0.00 57.88 57.01 3mr8 h LEU 56 Cb 1.05 0.02 -0.21 0.00 -0.73 0.00 0.00 40.66 40.79 3mr8 h LEU 56 CO 0.38 -0.03 1.01 -0.83 -0.62 0.00 0.00 178.44 178.34 3mr8 s GLY 57 N -1.04 2.59 0.00 3.75 0.00 -1.26 -4.25 107.32 107.10 3mr8 s GLY 57 Ca -0.01 -3.43 0.00 0.00 0.00 0.00 0.00 44.72 41.29 3mr8 s GLY 57 CO 0.03 1.82 0.04 -2.13 0.00 0.00 0.00 173.10 172.86 3mr8 n ARG 58 N 4.89 0.00 -3.76 2.90 0.63 0.26 -4.81 116.66 116.77 3mr8 n ARG 58 Ca 0.31 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.11 3mr8 n ARG 58 Cb 0.43 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.21 3mr8 n ARG 58 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3mr8 s PHE 59 N 0.00 -0.30 -0.37 -0.14 0.40 -0.99 -1.19 117.98 115.40 3mr8 s PHE 59 Ca 0.00 0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 56.90 3mr8 s PHE 59 Cb 0.00 0.08 -0.00 0.00 0.51 0.00 0.00 43.02 43.60 3mr8 s PHE 59 CO 0.00 -0.18 0.34 -0.51 0.70 0.00 0.00 175.22 175.57 3mr8 s ASP 60 N 0.64 6.14 0.28 1.36 1.01 0.11 -3.19 116.67 123.02 3mr8 s ASP 60 Ca -0.04 -0.46 -0.03 0.00 0.71 0.00 0.00 52.55 52.73 3mr8 s ASP 60 Cb -0.06 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 3mr8 s ASP 60 CO -0.04 -0.38 0.51 0.00 0.21 0.00 0.00 175.17 175.48 3mr8 s ALA 61 N 1.92 3.69 -0.31 5.23 0.00 -1.07 -0.68 121.76 130.55 3mr8 s ALA 61 Ca 0.09 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3mr8 s ALA 61 Cb -0.17 -2.18 0.16 0.00 0.00 0.00 0.00 23.12 20.93 3mr8 s ALA 61 CO 0.11 0.22 0.40 -0.47 0.00 0.00 0.00 175.76 176.02 3mr8 s TYR 62 N -2.09 -0.86 -0.05 0.00 5.04 0.20 -1.37 117.35 118.23 3mr8 s TYR 62 Ca 0.42 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 3mr8 s TYR 62 Cb -0.10 -0.22 -0.03 0.00 0.35 0.00 0.00 41.96 41.95 3mr8 s TYR 62 CO 0.31 -0.98 -0.01 0.42 -1.34 0.00 0.00 175.55 173.95 3mr8 s ILE 63 N 2.34 4.12 -0.80 3.14 1.09 -0.69 -0.39 121.20 130.00 3mr8 s ILE 63 Ca 0.11 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.21 3mr8 s ILE 63 Cb -0.13 -2.77 0.20 0.00 -1.06 0.00 0.00 42.46 38.70 3mr8 s ILE 63 CO -0.26 0.51 0.65 -0.89 -0.10 0.00 0.00 174.94 174.84 3mr8 s THR 64 N -0.96 3.82 -0.09 2.92 2.01 -0.27 -1.36 115.64 121.72 3mr8 s THR 64 Ca 0.16 -3.88 -0.15 0.00 0.31 0.00 0.00 61.69 58.12 3mr8 s THR 64 Cb -0.11 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 3mr8 s THR 64 CO 0.05 -1.03 0.38 0.54 -0.69 0.00 0.00 174.62 173.87 3mr8 s VAL 65 N -1.22 5.19 0.07 3.82 0.11 -1.26 -1.97 120.40 125.13 3mr8 s VAL 65 Ca 0.25 0.76 -0.03 0.00 -2.93 0.00 0.00 61.98 60.03 3mr8 s VAL 65 Cb -0.08 -3.71 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 3mr8 s VAL 65 CO -0.12 0.44 0.04 -0.60 -3.33 0.00 0.00 175.10 171.53 3mr8 s ARG 66 N -0.05 0.71 0.83 1.54 6.06 -0.57 -4.92 118.95 122.55 3mr8 s ARG 66 Ca 0.22 -1.16 0.00 0.00 -2.50 0.00 0.00 55.73 52.28 3mr8 s ARG 66 Cb -0.15 0.25 0.00 0.00 0.06 0.00 0.00 34.95 35.11 3mr8 s ARG 66 CO 0.09 -0.17 0.00 0.41 -2.50 0.00 0.00 175.30 173.13 3mr8 n GLY 67 N 0.04 -1.67 3.34 8.12 0.00 -1.26 -2.47 105.19 111.29 3mr8 n GLY 67 Ca -0.14 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.83 3mr8 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr8 n GLY 68 N -2.35 -1.61 3.95 -0.02 0.00 -1.22 -4.60 105.19 99.34 3mr8 n GLY 68 Ca 0.01 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 3mr8 n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mr8 s GLY 69 N -6.36 1.77 0.12 -0.02 0.00 -1.26 -4.94 107.32 96.63 3mr8 s GLY 69 Ca 0.00 -1.40 -0.19 0.00 0.00 0.00 0.00 44.72 43.13 3mr8 s GLY 69 CO 0.00 -0.71 1.74 1.70 0.00 0.00 0.00 173.10 175.83 3mr8 h LYS 70 N -1.21 0.33 -0.08 2.90 1.63 -2.01 -2.77 116.57 115.36 3mr8 h LYS 70 Ca -0.41 -0.03 -0.20 0.00 -0.85 0.00 0.00 60.65 59.16 3mr8 h LYS 70 Cb 1.25 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3mr8 h LYS 70 CO 0.39 0.27 -0.77 1.03 -3.45 0.00 0.00 179.45 176.92 3mr8 h SER 71 N 0.30 0.58 -0.30 4.20 0.87 -1.99 -3.01 113.55 114.20 3mr8 h SER 71 Ca 0.09 -0.39 0.08 0.00 -1.23 0.00 0.00 61.79 60.33 3mr8 h SER 71 Cb 0.03 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3mr8 h SER 71 CO -0.02 1.15 0.21 1.23 -0.53 0.00 0.00 176.83 178.88 3mr8 h GLY 72 N 1.13 0.06 1.03 5.77 0.00 -1.86 0.18 103.07 109.38 3mr8 h GLY 72 Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 3mr8 h GLY 72 CO 0.14 0.01 -0.02 1.46 0.00 0.00 0.00 176.54 178.13 3mr8 h GLN 73 N 0.05 0.92 -0.46 4.80 4.20 -1.35 -1.44 115.11 121.83 3mr8 h GLN 73 Ca 0.14 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3mr8 h GLN 73 Cb 0.50 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3mr8 h GLN 73 CO -0.01 0.96 0.25 0.82 -0.67 0.00 0.00 178.83 180.18 3mr8 h ILE 74 N 0.79 1.16 0.00 2.54 2.04 -0.68 0.23 117.51 123.59 3mr8 h ILE 74 Ca 0.14 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3mr8 h ILE 74 Cb 0.56 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3mr8 h ILE 74 CO 0.03 0.17 -0.38 0.44 0.00 0.00 0.00 178.15 178.41 3mr8 h ASP 75 N 0.60 0.00 -0.39 1.72 3.32 -1.33 0.01 116.42 120.35 3mr8 h ASP 75 Ca 0.16 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3mr8 h ASP 75 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3mr8 h ASP 75 CO -0.03 0.38 -0.10 0.00 -1.72 0.00 0.00 179.24 177.78 3mr8 h ALA 76 N 1.62 0.54 -0.18 3.45 0.00 -0.24 -2.60 119.26 121.84 3mr8 h ALA 76 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3mr8 h ALA 76 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3mr8 h ALA 76 CO 0.05 0.41 -0.32 0.82 0.00 0.00 0.00 179.25 180.22 3mr8 h ILE 77 N 0.57 1.28 0.29 0.00 2.04 -0.25 -0.54 117.51 120.90 3mr8 h ILE 77 Ca 0.10 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 3mr8 h ILE 77 Cb 0.63 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3mr8 h ILE 77 CO 0.04 0.42 -0.17 0.50 0.00 0.00 0.00 178.15 178.94 3mr8 h LYS 78 N 0.32 -0.43 -0.01 2.37 3.64 -0.79 0.19 116.57 121.87 3mr8 h LYS 78 Ca 0.04 0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 3mr8 h LYS 78 Cb 0.72 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 3mr8 h LYS 78 CO 0.06 -0.28 -0.69 1.25 -2.27 0.00 0.00 179.45 177.51 3mr8 h LEU 79 N -0.44 0.07 -0.19 5.20 7.12 -1.47 -3.06 115.31 122.53 3mr8 h LEU 79 Ca -0.03 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.92 3mr8 h LEU 79 Cb 0.36 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 3mr8 h LEU 79 CO 0.04 0.74 0.05 1.23 -0.13 0.00 0.00 178.44 180.36 3mr8 h GLY 80 N 1.95 0.33 1.57 3.75 0.00 -0.87 -2.23 103.07 107.57 3mr8 h GLY 80 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3mr8 h GLY 80 CO 0.09 0.19 0.18 -2.22 0.00 0.00 0.00 176.54 174.79 3mr8 h ILE 81 N 0.13 1.14 -0.07 2.60 2.04 -1.01 -2.00 117.51 120.35 3mr8 h ILE 81 Ca 0.06 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3mr8 h ILE 81 Cb 0.26 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3mr8 h ILE 81 CO 0.00 0.17 0.04 0.00 0.00 0.00 0.00 178.15 178.35 3mr8 h ALA 82 N 1.64 0.09 0.00 1.87 0.00 -1.38 -1.76 119.26 119.72 3mr8 h ALA 82 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3mr8 h ALA 82 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mr8 h ALA 82 CO -0.02 -0.37 -0.21 0.00 0.00 0.00 0.00 179.25 178.66 3mr8 h ARG 83 N 0.01 0.00 0.24 0.00 3.08 -1.13 -1.69 114.38 114.89 3mr8 h ARG 83 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3mr8 h ARG 83 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3mr8 h ARG 83 CO -0.00 0.21 -0.12 0.00 -1.07 0.00 0.00 179.97 178.99 3mr8 h ALA 84 N 1.79 -0.33 0.00 0.04 0.00 -0.88 -2.16 119.26 117.72 3mr8 h ALA 84 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3mr8 h ALA 84 Cb 0.42 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3mr8 h ALA 84 CO 0.03 -0.48 -0.54 1.37 0.00 0.00 0.00 179.25 179.62 3mr8 h LEU 85 N -0.74 0.00 -0.38 0.00 8.10 -1.27 -2.85 115.31 118.18 3mr8 h LEU 85 Ca -0.03 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.90 3mr8 h LEU 85 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 3mr8 h LEU 85 CO 0.06 0.54 -0.25 1.62 -4.11 0.00 0.00 178.44 176.30 3mr8 h VAL 86 N 0.00 0.48 -0.95 0.15 3.04 -1.38 -3.02 116.25 114.57 3mr8 h VAL 86 Ca -0.01 -1.48 0.04 0.00 -1.01 0.00 0.00 66.70 64.24 3mr8 h VAL 86 Cb 1.03 2.08 -0.06 0.00 -2.01 0.00 0.00 31.29 32.33 3mr8 h VAL 86 CO 0.07 0.25 0.62 -0.61 -1.01 0.00 0.00 177.57 176.89 3mr8 h GLN 87 N 0.00 1.16 -0.41 4.17 4.15 -1.13 -1.61 115.11 121.44 3mr8 h GLN 87 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3mr8 h GLN 87 Cb 1.06 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.48 3mr8 h GLN 87 CO 0.03 0.77 0.00 0.66 -1.93 0.00 0.00 178.83 178.36 3mr8 n TYR 88 N -4.48 1.47 -3.30 3.99 4.02 -1.23 -4.84 117.16 112.79 3mr8 n TYR 88 Ca 0.13 -0.80 -0.08 0.00 -0.01 0.00 0.00 57.90 57.14 3mr8 n TYR 88 Cb 0.09 -0.40 -0.06 0.00 -0.02 0.00 0.00 39.34 38.96 3mr8 n TYR 88 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3mr8 s ASN 89 N -1.38 0.21 0.16 7.72 0.01 -0.60 -5.02 114.94 116.04 3mr8 s ASN 89 Ca 0.48 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.40 3mr8 s ASN 89 Cb 0.37 1.18 -0.04 0.00 0.41 0.00 0.00 41.25 43.18 3mr8 s ASN 89 CO 0.13 -0.34 1.36 1.55 -1.51 0.00 0.00 177.10 178.28 3mr8 h PRO 90 N 8.15 0.15 0.00 -0.60 0.13 -1.89 -3.25 132.00 134.69 3mr8 h PRO 90 Ca -0.10 -0.18 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 3mr8 h PRO 90 Cb 1.13 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3mr8 h PRO 90 CO 0.26 0.96 -0.61 -0.44 -0.23 0.00 0.00 178.00 177.94 3mr8 h ASP 91 N 0.07 0.00 0.74 1.44 3.32 -1.95 -2.94 116.42 117.10 3mr8 h ASP 91 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3mr8 h ASP 91 Cb 1.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.11 3mr8 h ASP 91 CO 0.13 0.61 0.00 -1.22 -1.72 0.00 0.00 179.24 177.04 3mr8 n TYR 92 N -3.76 0.28 0.14 4.55 4.02 -1.23 -1.44 117.16 119.72 3mr8 n TYR 92 Ca -0.01 0.10 0.03 0.00 -0.01 0.00 0.00 57.90 58.01 3mr8 n TYR 92 Cb 0.62 -0.66 0.03 0.00 -0.02 0.00 0.00 39.34 39.31 3mr8 n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3mr8 h ARG 93 N 0.00 0.00 0.00 -0.72 2.43 -1.60 -1.54 114.38 112.95 3mr8 h ARG 93 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3mr8 h ARG 93 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3mr8 h ARG 93 CO 0.00 0.45 0.00 0.00 -1.51 0.00 0.00 179.97 178.91 3mr8 n ALA 94 N -2.22 2.45 -0.57 2.80 0.00 -0.52 -2.24 120.51 120.21 3mr8 n ALA 94 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3mr8 n ALA 94 Cb 0.72 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3mr8 n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3mr8 n LYS 95 N -0.80 0.00 -0.07 0.00 -0.00 -1.21 -4.77 118.16 111.31 3mr8 n LYS 95 Ca 0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.35 3mr8 n LYS 95 Cb 0.06 -0.16 -0.15 0.00 -0.00 0.00 0.00 35.03 34.77 3mr8 n LYS 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3mr8 n LEU 96 N 0.00 0.24 -0.03 -5.58 7.94 -0.58 -4.18 117.00 114.81 3mr8 n LEU 96 Ca 0.00 0.11 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 3mr8 n LEU 96 Cb 0.10 0.37 -0.11 0.00 0.53 0.00 0.00 43.42 44.31 3mr8 n LEU 96 CO 0.00 0.42 0.55 0.50 -1.11 0.00 0.00 177.39 177.76 3mr8 h LYS 97 N 0.00 0.01 0.00 1.96 1.63 -1.69 -3.10 116.57 115.38 3mr8 h LYS 97 Ca -0.44 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.36 3mr8 h LYS 97 Cb 2.08 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.71 3mr8 h LYS 97 CO 0.04 0.66 -0.01 -1.35 -3.45 0.00 0.00 179.45 175.34 3mr8 h PRO 98 N -0.64 0.00 0.00 1.90 0.11 -1.80 0.22 132.00 131.79 3mr8 h PRO 98 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3mr8 h PRO 98 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3mr8 h PRO 98 CO 0.00 0.01 0.00 -0.11 -0.21 0.00 0.00 178.00 177.69 3mr8 n LEU 99 N -4.43 0.00 -2.04 2.35 -0.00 -1.22 -4.97 117.00 106.69 3mr8 n LEU 99 Ca -0.03 0.31 -0.03 0.00 -0.00 0.00 0.00 56.01 56.27 3mr8 n LEU 99 Cb 0.09 -0.31 -0.02 0.00 -0.00 0.00 0.00 43.42 43.18 3mr8 n LEU 99 CO 0.33 -0.06 -0.33 0.61 -0.00 0.00 0.00 177.39 177.94 3mr8 n GLY 100 N 0.81 -4.08 0.40 -3.96 0.00 0.76 -5.05 105.19 94.06 3mr8 n GLY 100 Ca 0.11 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.80 3mr8 n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mr8 n PHE 101 N 0.81 -0.16 -2.52 1.61 3.72 -1.22 -4.99 117.46 114.70 3mr8 n PHE 101 Ca -0.20 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 3mr8 n PHE 101 Cb 0.31 0.10 -0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3mr8 n PHE 101 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3mr8 n LEU 102 N -1.70 4.85 -3.63 4.37 4.77 -1.26 -4.73 117.00 119.67 3mr8 n LEU 102 Ca 0.00 -3.87 -0.05 0.00 -0.03 0.00 0.00 56.01 52.06 3mr8 n LEU 102 Cb 0.00 -1.75 -0.06 0.00 -2.33 0.00 0.00 43.42 39.28 3mr8 n LEU 102 CO 0.00 0.03 0.38 -0.89 -1.33 0.00 0.00 177.39 175.58 3mr8 s THR 103 N 4.71 -0.22 -1.37 -5.08 2.01 -1.26 -5.01 115.64 109.42 3mr8 s THR 103 Ca 0.55 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.64 3mr8 s THR 103 Cb 0.04 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.69 3mr8 s THR 103 CO 0.08 0.00 1.17 -1.14 -0.69 0.00 0.00 174.62 174.04 3mr8 n ARG 104 N 4.49 0.11 -2.87 4.92 0.00 -1.26 -4.89 116.66 117.16 3mr8 n ARG 104 Ca -0.18 0.22 -0.09 0.00 -0.00 0.00 0.00 57.85 57.81 3mr8 n ARG 104 Cb 0.57 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.54 3mr8 n ARG 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3mr8 n ASP 105 N -1.31 -7.85 0.24 6.15 4.64 -1.26 -4.71 116.55 112.45 3mr8 n ASP 105 Ca 0.04 0.58 0.13 0.00 -1.38 0.00 0.00 54.79 54.15 3mr8 n ASP 105 Cb 0.07 -5.21 0.67 0.00 -1.04 0.00 0.00 41.12 35.62 3mr8 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mr8 h ALA 106 N 2.10 1.18 -1.64 -1.67 0.00 -2.00 -3.42 119.26 113.80 3mr8 h ALA 106 Ca -0.03 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 3mr8 h ALA 106 Cb 0.94 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3mr8 h ALA 106 CO 0.19 -0.18 1.39 0.54 0.00 0.00 0.00 179.25 181.19 3mr8 n ARG 107 N -2.51 1.67 -3.79 0.00 1.74 -1.26 -4.92 116.66 107.59 3mr8 n ARG 107 Ca -0.02 0.50 -0.12 0.00 -0.77 0.00 0.00 57.85 57.44 3mr8 n ARG 107 Cb 0.25 -2.82 -0.09 0.00 -1.02 0.00 0.00 32.46 28.78 3mr8 n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3mr8 s VAL 108 N 7.08 0.08 0.38 1.55 -7.23 -1.26 -4.83 120.40 116.15 3mr8 s VAL 108 Ca 1.03 -0.63 -0.28 0.00 -1.81 0.00 0.00 61.98 60.29 3mr8 s VAL 108 Cb -0.61 -0.70 -0.11 0.00 0.56 0.00 0.00 36.38 35.52 3mr8 s VAL 108 CO 0.44 -0.34 1.46 1.33 -0.31 0.00 0.00 175.10 177.67 3mr8 n VAL 109 N 1.07 2.03 -3.91 1.32 0.24 -1.26 -5.01 118.33 112.81 3mr8 n VAL 109 Ca -0.21 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.38 3mr8 n VAL 109 Cb 0.57 -1.91 -0.03 0.00 -1.47 0.00 0.00 33.84 30.99 3mr8 n VAL 109 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3mr8 s GLU 110 N -2.09 2.90 0.26 7.34 -1.05 -1.26 -5.07 118.70 119.73 3mr8 s GLU 110 Ca 0.54 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.92 3mr8 s GLU 110 Cb -0.49 -2.58 -0.11 0.00 -0.44 0.00 0.00 34.13 30.51 3mr8 s GLU 110 CO 0.63 0.24 1.59 0.50 0.95 0.00 0.00 175.26 179.17 3mr8 s ARG 111 N -3.95 4.15 -0.40 -4.83 3.52 -1.26 -4.92 118.95 111.26 3mr8 s ARG 111 Ca 0.38 2.52 -0.28 0.00 -0.13 0.00 0.00 55.73 58.22 3mr8 s ARG 111 Cb -0.07 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 3mr8 s ARG 111 CO 0.27 -0.62 1.71 0.21 -0.81 0.00 0.00 175.30 176.06 3mr8 s LYS 112 N -0.07 3.27 0.59 5.12 2.36 -1.26 -4.45 119.74 125.29 3mr8 s LYS 112 Ca 0.65 1.16 -0.19 0.00 -2.55 0.00 0.00 55.97 55.04 3mr8 s LYS 112 Cb -0.47 -4.19 -0.04 0.00 -1.05 0.00 0.00 37.83 32.09 3mr8 s LYS 112 CO 0.43 -1.94 1.21 0.15 1.55 0.00 0.00 175.35 176.75 3mr8 s LYS 113 N 5.72 2.97 0.67 4.03 -0.14 -1.26 -4.70 119.74 127.03 3mr8 s LYS 113 Ca 0.73 1.84 -0.12 0.00 -1.36 0.00 0.00 55.97 57.05 3mr8 s LYS 113 Cb -0.18 -1.93 -0.00 0.00 -1.68 0.00 0.00 37.83 34.03 3mr8 s LYS 113 CO 0.31 -1.21 1.06 1.52 -0.76 0.00 0.00 175.35 176.27 3mr8 s TYR 114 N -1.58 3.02 0.00 3.18 -0.85 -1.26 -3.33 117.35 116.53 3mr8 s TYR 114 Ca 0.77 1.46 0.00 0.00 -0.52 0.00 0.00 57.07 58.79 3mr8 s TYR 114 Cb -0.31 -2.94 0.00 0.00 0.38 0.00 0.00 41.96 39.10 3mr8 s TYR 114 CO 0.33 -1.24 0.00 0.41 -1.52 0.00 0.00 175.55 173.53 3mr8 n GLY 115 N -1.58 1.81 0.00 5.49 0.00 -1.26 -4.93 105.19 104.72 3mr8 n GLY 115 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3mr8 n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mr8 n LYS 116 N 0.00 1.11 0.00 1.61 4.76 -1.21 -4.76 118.16 119.66 3mr8 n LYS 116 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3mr8 n LYS 116 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3mr8 n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3mr8 n HIS 117 N -0.72 0.00 -2.72 2.13 8.25 -0.76 -4.90 115.22 116.50 3mr8 n HIS 117 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3mr8 n HIS 117 Cb 0.00 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.21 3mr8 n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mr8 n LYS 118 N -1.91 1.40 0.00 -0.41 5.02 -1.24 -4.98 118.16 116.05 3mr8 n LYS 118 Ca 0.00 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.12 3mr8 n LYS 118 Cb 0.44 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 3mr8 n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mr8 n ALA 119 N -0.95 0.00 0.07 7.82 0.00 -1.26 -4.21 120.51 121.98 3mr8 n ALA 119 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3mr8 n ALA 119 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.26 3mr8 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mr8 n ARG 120 N -1.76 0.00 -1.59 0.00 1.74 -1.26 -4.50 116.66 109.28 3mr8 n ARG 120 Ca 0.00 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 3mr8 n ARG 120 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3mr8 n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3mr8 n ARG 121 N -2.89 1.98 -3.53 5.56 0.00 -1.26 -4.86 116.66 111.66 3mr8 n ARG 121 Ca 0.00 0.61 -0.33 0.00 -0.00 0.00 0.00 57.85 58.13 3mr8 n ARG 121 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 32.46 29.44 3mr8 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mr8 s ALA 122 N 6.86 3.67 0.80 5.13 0.00 -1.26 -1.83 121.76 135.14 3mr8 s ALA 122 Ca 0.99 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 3mr8 s ALA 122 Cb -0.51 -2.31 0.05 0.00 0.00 0.00 0.00 23.12 20.35 3mr8 s ALA 122 CO 0.42 0.57 0.99 -0.35 0.00 0.00 0.00 175.76 177.38 3mr8 n PRO 123 N 0.30 0.19 -1.61 0.00 -0.04 -1.26 -4.77 135.00 127.80 3mr8 n PRO 123 Ca -0.03 0.13 -0.50 0.00 -0.04 0.00 0.00 63.50 63.06 3mr8 n PRO 123 Cb 0.52 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 3mr8 n PRO 123 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3mr8 n GLN 124 N -2.56 1.70 -1.83 0.54 6.02 -1.26 -4.91 117.38 115.07 3mr8 n GLN 124 Ca 0.12 0.58 -0.37 0.00 -0.01 0.00 0.00 57.00 57.32 3mr8 n GLN 124 Cb 0.51 -2.57 0.05 0.00 1.02 0.00 0.00 30.24 29.25 3mr8 n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3mr8 s TYR 125 N 5.29 2.24 0.21 1.08 6.14 -1.26 -5.02 117.35 126.03 3mr8 s TYR 125 Ca 0.99 1.45 -0.19 0.00 0.64 0.00 0.00 57.07 59.96 3mr8 s TYR 125 Cb -0.76 -3.68 0.03 0.00 0.42 0.00 0.00 41.96 37.97 3mr8 s TYR 125 CO 0.52 -2.73 0.59 -1.54 0.64 0.00 0.00 175.55 173.03 3mr8 s SER 126 N -1.28 -0.31 0.00 4.32 1.04 -1.26 -5.06 113.70 111.15 3mr8 s SER 126 Ca 0.77 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.76 3mr8 s SER 126 Cb -0.37 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3mr8 s SER 126 CO 0.41 -1.13 0.00 1.17 0.98 0.00 0.00 173.24 174.67 3mr8 n LYS 127 N -0.38 1.56 0.00 4.02 0.00 -1.26 -5.31 118.16 116.79 3mr8 n LYS 127 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.22 3mr8 n LYS 127 Cb 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 35.03 35.37 3mr8 n LYS 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94