#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 n THR 5 N 0.00 0.00 -0.03 0.52 -2.24 -1.26 -4.99 114.28 106.28 3mr8 n THR 5 Ca 0.00 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 60.94 3mr8 n THR 5 Cb 0.00 -1.54 -0.11 0.00 -2.10 0.00 0.00 70.33 66.58 3mr8 n THR 5 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3mr8 h ILE 6 N -1.24 1.51 -0.60 2.28 2.04 -2.06 -3.21 117.51 116.23 3mr8 h ILE 6 Ca -0.25 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 3mr8 h ILE 6 Cb 0.74 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 3mr8 h ILE 6 CO 0.20 0.47 0.34 0.78 0.00 0.00 0.00 178.15 179.93 3mr8 h ASN 7 N -0.48 0.73 -0.58 1.72 2.35 -1.98 -1.44 115.58 115.89 3mr8 h ASN 7 Ca -0.01 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3mr8 h ASN 7 Cb 0.85 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 3mr8 h ASN 7 CO 0.03 0.58 0.38 1.56 -1.65 0.00 0.00 177.43 178.34 3mr8 h GLN 8 N 0.83 0.72 -0.22 0.81 4.20 -1.95 0.36 115.11 119.86 3mr8 h GLN 8 Ca 0.21 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 3mr8 h GLN 8 Cb 0.01 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 3mr8 h GLN 8 CO -0.04 0.48 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.25 3mr8 h LEU 9 N 0.74 0.63 -1.23 1.46 3.38 -1.32 0.13 115.31 119.09 3mr8 h LEU 9 Ca 0.22 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.77 3mr8 h LEU 9 Cb -0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3mr8 h LEU 9 CO -0.05 1.00 0.55 0.58 0.09 0.00 0.00 178.44 180.61 3mr8 h VAL 10 N 0.27 1.00 0.00 1.22 2.07 -0.25 -2.54 116.25 118.02 3mr8 h VAL 10 Ca 0.03 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3mr8 h VAL 10 Cb 0.85 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3mr8 h VAL 10 CO 0.07 0.16 0.00 0.54 0.02 0.00 0.00 177.57 178.36 3mr8 n ARG 11 N -4.51 0.00 -0.17 1.57 1.74 0.12 -4.69 116.66 110.72 3mr8 n ARG 11 Ca 0.14 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.31 3mr8 n ARG 11 Cb 0.26 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 32.11 3mr8 n ARG 11 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3mr8 h LYS 12 N 0.00 0.61 -2.88 5.56 3.64 -0.93 -3.48 116.57 119.09 3mr8 h LYS 12 Ca 0.00 -0.04 0.30 0.00 -1.27 0.00 0.00 60.65 59.64 3mr8 h LYS 12 Cb 0.00 -0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 31.53 3mr8 h LYS 12 CO 0.00 0.40 -0.97 0.41 -2.27 0.00 0.00 179.45 177.02 3mr8 n GLY 13 N -1.47 -3.04 3.75 5.01 0.00 -0.96 -4.83 105.19 103.65 3mr8 n GLY 13 Ca 0.12 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 3mr8 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr8 s ARG 14 N -3.77 4.56 -0.13 1.61 1.81 -1.26 -4.97 118.95 116.80 3mr8 s ARG 14 Ca 0.00 1.89 -0.29 0.00 -1.72 0.00 0.00 55.73 55.60 3mr8 s ARG 14 Cb 0.00 -3.19 -0.01 0.00 -0.45 0.00 0.00 34.95 31.30 3mr8 s ARG 14 CO 0.00 0.07 1.06 -2.00 -0.68 0.00 0.00 175.30 173.75 3mr8 s GLU 15 N -1.16 4.36 0.20 3.54 2.12 -1.26 -5.01 118.70 121.49 3mr8 s GLU 15 Ca 0.47 1.45 -0.30 0.00 0.36 0.00 0.00 54.97 56.96 3mr8 s GLU 15 Cb -0.33 -3.58 -0.08 0.00 0.26 0.00 0.00 34.13 30.40 3mr8 s GLU 15 CO 0.42 -0.43 1.19 0.21 -0.54 0.00 0.00 175.26 176.10 3mr8 s LYS 16 N 2.39 4.51 0.45 4.30 2.36 -1.26 -5.01 119.74 127.47 3mr8 s LYS 16 Ca 0.49 1.87 -0.23 0.00 -2.55 0.00 0.00 55.97 55.55 3mr8 s LYS 16 Cb -0.19 -3.23 -0.08 0.00 -1.05 0.00 0.00 37.83 33.28 3mr8 s LYS 16 CO 0.16 -0.05 1.13 0.14 1.55 0.00 0.00 175.35 178.28 3mr8 s VAL 17 N -0.21 3.28 -0.24 4.02 -7.23 -1.26 -5.05 120.40 113.72 3mr8 s VAL 17 Ca 0.52 0.96 -0.06 0.00 -1.81 0.00 0.00 61.98 61.59 3mr8 s VAL 17 Cb -0.33 -3.48 0.12 0.00 0.56 0.00 0.00 36.38 33.25 3mr8 s VAL 17 CO 0.37 -0.02 0.47 -0.60 -0.31 0.00 0.00 175.10 175.02 3mr8 s ARG 18 N -2.67 0.40 -0.12 4.82 3.52 -1.26 -5.15 118.95 118.49 3mr8 s ARG 18 Ca 0.62 0.97 -0.01 0.00 -0.13 0.00 0.00 55.73 57.18 3mr8 s ARG 18 Cb -0.27 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 3mr8 s ARG 18 CO 0.32 -0.39 -0.08 -1.59 -0.81 0.00 0.00 175.30 172.75 3mr8 s LYS 19 N 2.67 3.27 0.45 5.12 0.00 -1.26 -5.11 119.74 124.87 3mr8 s LYS 19 Ca 0.04 -0.58 -0.21 0.00 0.00 0.00 0.00 55.97 55.22 3mr8 s LYS 19 Cb -0.13 -2.71 -0.10 0.00 0.00 0.00 0.00 37.83 34.88 3mr8 s LYS 19 CO -0.16 0.38 0.99 0.15 0.00 0.00 0.00 175.35 176.71 3mr8 s LYS 20 N -0.04 4.08 0.20 1.78 1.02 -1.26 -5.01 119.74 120.51 3mr8 s LYS 20 Ca -0.01 1.24 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 3mr8 s LYS 20 Cb -0.14 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 34.90 3mr8 s LYS 20 CO 0.03 -0.18 1.36 0.45 -0.92 0.00 0.00 175.35 176.09 3mr8 s SER 21 N -2.05 6.82 0.00 2.83 0.15 -1.26 -4.87 113.70 115.32 3mr8 s SER 21 Ca 0.63 2.47 0.09 0.00 0.70 0.00 0.00 55.95 59.84 3mr8 s SER 21 Cb -0.13 -2.61 0.44 0.00 -1.71 0.00 0.00 66.02 62.01 3mr8 s SER 21 CO 0.17 -0.59 1.14 0.29 1.20 0.00 0.00 173.24 175.45 3mr8 n LYS 22 N 2.74 0.13 -3.49 5.44 5.02 -1.26 -4.52 118.16 122.22 3mr8 n LYS 22 Ca 0.07 0.19 -0.15 0.00 -2.02 0.00 0.00 58.31 56.40 3mr8 n LYS 22 Cb 0.42 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.81 3mr8 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mr8 s VAL 23 N -2.54 -0.41 -1.55 -0.18 1.01 -1.26 -5.04 120.40 110.43 3mr8 s VAL 23 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3mr8 s VAL 23 Cb 0.06 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 3mr8 s VAL 23 CO 0.13 -0.13 2.76 -2.65 0.00 0.00 0.00 175.10 175.21 3mr8 n PRO 24 N 5.34 3.43 -0.07 2.72 -0.02 -1.26 -4.66 135.00 140.47 3mr8 n PRO 24 Ca -0.05 -2.25 -0.13 0.00 -2.02 0.00 0.00 63.50 59.05 3mr8 n PRO 24 Cb 0.50 -2.89 -0.06 0.00 -0.02 0.00 0.00 33.50 31.03 3mr8 n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mr8 h ALA 25 N 5.31 0.29 -3.00 3.55 0.00 -1.96 -3.49 119.26 119.95 3mr8 h ALA 25 Ca 0.79 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3mr8 h ALA 25 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mr8 h ALA 25 CO 1.80 0.16 0.00 -0.11 0.00 0.00 0.00 179.25 181.10 3mr8 n LEU 26 N -4.51 0.00 0.00 0.00 -0.00 -1.26 -4.90 117.00 106.32 3mr8 n LEU 26 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 3mr8 n LEU 26 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 3mr8 n LEU 26 CO 0.40 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.96 3mr8 n LYS 27 N 0.00 0.52 0.00 1.96 4.81 -1.26 -4.93 118.16 119.25 3mr8 n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3mr8 n LYS 27 Cb 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.01 3mr8 n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mr8 n GLY 28 N 0.00 0.00 3.67 3.14 0.00 -1.26 -5.13 105.19 105.60 3mr8 n GLY 28 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3mr8 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mr8 s ALA 29 N 0.00 3.61 0.42 4.61 0.00 -1.26 -4.90 121.76 124.25 3mr8 s ALA 29 Ca 0.00 0.32 0.24 0.00 0.00 0.00 0.00 51.96 52.52 3mr8 s ALA 29 Cb 0.00 -3.54 1.32 0.00 0.00 0.00 0.00 23.12 20.90 3mr8 s ALA 29 CO 0.00 -0.97 2.05 -1.35 0.00 0.00 0.00 175.76 175.49 3mr8 h PRO 30 N 7.55 0.00 -3.76 0.00 0.11 -1.95 -3.44 132.00 130.51 3mr8 h PRO 30 Ca -0.24 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.78 3mr8 h PRO 30 Cb 1.09 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 3mr8 h PRO 30 CO 0.95 0.14 -0.27 -0.06 -0.21 0.00 0.00 178.00 178.55 3mr8 s PHE 31 N -4.30 0.23 -0.03 0.65 0.40 -1.26 -4.69 117.98 108.98 3mr8 s PHE 31 Ca -0.03 -0.61 -0.02 0.00 -0.60 0.00 0.00 56.93 55.67 3mr8 s PHE 31 Cb 0.14 0.02 0.02 0.00 0.51 0.00 0.00 43.02 43.70 3mr8 s PHE 31 CO 0.62 -0.70 0.08 0.50 0.70 0.00 0.00 175.22 176.41 3mr8 s ARG 32 N -3.92 0.06 0.51 0.44 6.06 -1.23 -4.92 118.95 115.96 3mr8 s ARG 32 Ca 0.12 0.17 -0.12 0.00 -2.50 0.00 0.00 55.73 53.40 3mr8 s ARG 32 Cb 0.03 -0.06 -0.06 0.00 0.06 0.00 0.00 34.95 34.92 3mr8 s ARG 32 CO -0.04 -0.07 0.91 0.50 -2.50 0.00 0.00 175.30 174.10 3mr8 s ARG 33 N 0.47 3.75 -0.30 5.12 3.52 -1.26 -1.91 118.95 128.34 3mr8 s ARG 33 Ca -0.04 0.67 -0.35 0.00 -0.13 0.00 0.00 55.73 55.88 3mr8 s ARG 33 Cb -0.05 -2.22 0.17 0.00 -1.56 0.00 0.00 34.95 31.29 3mr8 s ARG 33 CO -0.02 -0.28 1.39 0.20 -0.81 0.00 0.00 175.30 175.78 3mr8 s GLY 34 N -3.54 -0.07 -0.19 8.12 0.00 -0.85 -3.00 107.32 107.79 3mr8 s GLY 34 Ca 0.54 2.32 -0.16 0.00 0.00 0.00 0.00 44.72 47.42 3mr8 s GLY 34 CO 0.39 0.83 0.42 0.14 0.00 0.00 0.00 173.10 174.88 3mr8 s VAL 35 N -1.62 5.19 0.15 1.40 1.01 -1.22 -1.83 120.40 123.48 3mr8 s VAL 35 Ca 0.11 0.76 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 3mr8 s VAL 35 Cb -0.01 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 3mr8 s VAL 35 CO -0.05 0.26 1.45 0.00 0.00 0.00 0.00 175.10 176.76 3mr8 n THR 37 N 3.77 0.00 -3.36 0.00 5.66 0.11 -3.37 114.28 117.09 3mr8 n THR 37 Ca 0.12 0.31 -0.38 0.00 -3.05 0.00 0.00 64.05 61.05 3mr8 n THR 37 Cb 0.41 -1.31 -0.06 0.00 -1.55 0.00 0.00 70.33 67.82 3mr8 n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3mr8 s VAL 38 N -0.63 5.03 -0.17 1.08 1.01 -1.20 -4.29 120.40 121.23 3mr8 s VAL 38 Ca 0.00 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 3mr8 s VAL 38 Cb 0.00 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.62 3mr8 s VAL 38 CO 0.00 0.46 -0.03 -0.69 0.00 0.00 0.00 175.10 174.84 3mr8 s VAL 39 N -0.34 1.02 0.16 2.92 1.01 -1.26 -0.66 120.40 123.25 3mr8 s VAL 39 Ca 0.26 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 3mr8 s VAL 39 Cb -0.17 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 35.02 3mr8 s VAL 39 CO 0.13 0.05 0.63 -0.60 0.00 0.00 0.00 175.10 175.31 3mr8 s ARG 40 N 1.66 1.29 0.02 2.72 3.00 -1.01 -5.03 118.95 121.60 3mr8 s ARG 40 Ca -0.00 -0.50 -0.12 0.00 -1.00 0.00 0.00 55.73 54.11 3mr8 s ARG 40 Cb -0.16 0.58 -0.06 0.00 0.00 0.00 0.00 34.95 35.31 3mr8 s ARG 40 CO -0.07 -0.57 0.37 -0.08 0.00 0.00 0.00 175.30 174.95 3mr8 s THR 41 N -3.72 5.11 -0.00 4.11 -1.32 -1.26 -2.46 115.64 116.10 3mr8 s THR 41 Ca 0.02 0.58 0.03 0.00 -1.21 0.00 0.00 61.69 61.12 3mr8 s THR 41 Cb -0.01 -3.65 -0.01 0.00 -1.51 0.00 0.00 72.50 67.32 3mr8 s THR 41 CO -0.11 0.45 -0.10 0.68 -2.21 0.00 0.00 174.62 173.33 3mr8 s VAL 42 N -1.22 0.82 0.17 5.08 -7.23 0.20 -4.90 120.40 113.32 3mr8 s VAL 42 Ca 0.27 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.63 3mr8 s VAL 42 Cb -0.15 -0.70 -0.07 0.00 0.56 0.00 0.00 36.38 36.02 3mr8 s VAL 42 CO 0.15 0.18 1.12 0.42 -0.31 0.00 0.00 175.10 176.66 3mr8 s THR 43 N -0.33 3.84 1.38 5.32 -4.23 -1.26 -0.76 115.64 119.60 3mr8 s THR 43 Ca 0.03 1.56 -0.23 0.00 -1.18 0.00 0.00 61.69 61.88 3mr8 s THR 43 Cb -0.04 -4.00 0.35 0.00 1.34 0.00 0.00 72.50 70.15 3mr8 s THR 43 CO -0.00 0.26 1.00 -2.84 -0.54 0.00 0.00 174.62 172.49 3mr8 s PRO 44 N -0.25 -2.59 0.00 3.99 0.02 -1.26 -4.94 135.00 129.96 3mr8 s PRO 44 Ca 0.50 -0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.46 3mr8 s PRO 44 Cb -0.30 -1.44 0.00 0.00 0.02 0.00 0.00 34.50 32.79 3mr8 s PRO 44 CO 0.35 -4.61 0.00 1.63 -0.33 0.00 0.00 177.00 174.04 3mr8 n LYS 45 N -5.40 3.60 0.43 5.54 5.02 -0.58 -4.82 118.16 121.95 3mr8 n LYS 45 Ca 0.15 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.24 3mr8 n LYS 45 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.52 3mr8 n LYS 45 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3mr8 h LYS 46 N 0.00 -1.11 -0.00 1.97 3.64 -1.96 -3.24 116.57 115.87 3mr8 h LYS 46 Ca 0.00 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3mr8 h LYS 46 Cb 0.00 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3mr8 h LYS 46 CO 0.00 -0.74 -0.23 -0.35 -2.27 0.00 0.00 179.45 175.86 3mr8 n PRO 47 N -5.60 0.45 -4.33 1.90 -0.05 -1.26 -4.94 135.00 121.17 3mr8 n PRO 47 Ca -0.15 -0.20 -0.27 0.00 -0.05 0.00 0.00 63.50 62.83 3mr8 n PRO 47 Cb 0.48 -1.50 -0.06 0.00 -0.05 0.00 0.00 33.50 32.37 3mr8 n PRO 47 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3mr8 n ASN 48 N -1.10 2.66 0.00 3.54 5.03 -1.22 -5.14 115.26 119.03 3mr8 n ASN 48 Ca 0.11 -2.99 0.00 0.00 0.87 0.00 0.00 54.58 52.57 3mr8 n ASN 48 Cb 0.32 0.50 0.00 0.00 -1.02 0.00 0.00 39.78 39.58 3mr8 n ASN 48 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3mr8 n SER 49 N -1.36 0.00 -0.68 6.41 3.41 -1.26 -4.50 113.62 115.63 3mr8 n SER 49 Ca -0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.43 3mr8 n SER 49 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3mr8 n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mr8 n ALA 50 N 0.00 1.56 -3.48 7.33 0.00 -1.26 -4.98 120.51 119.67 3mr8 n ALA 50 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 3mr8 n ALA 50 Cb 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 19.45 19.25 3mr8 n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mr8 n LEU 51 N 0.00 -3.25 -4.77 0.00 4.32 -1.26 -4.87 117.00 107.17 3mr8 n LEU 51 Ca -0.13 -0.27 -0.39 0.00 -0.02 0.00 0.00 56.01 55.19 3mr8 n LEU 51 Cb 0.47 -1.92 -0.03 0.00 -1.62 0.00 0.00 43.42 40.32 3mr8 n LEU 51 CO -0.06 -0.26 0.85 -0.13 -1.22 0.00 0.00 177.39 176.56 3mr8 s ARG 52 N -3.13 4.36 -0.85 3.23 3.00 0.06 -4.65 118.95 120.98 3mr8 s ARG 52 Ca 0.25 1.89 -0.21 0.00 0.00 0.00 0.00 55.73 57.67 3mr8 s ARG 52 Cb -0.03 -2.96 0.10 0.00 0.00 0.00 0.00 34.95 32.06 3mr8 s ARG 52 CO 0.86 -0.07 1.11 0.15 0.00 0.00 0.00 175.30 177.35 3mr8 s LYS 53 N -1.87 3.43 0.44 3.54 3.01 -1.26 -0.63 119.74 126.40 3mr8 s LYS 53 Ca 0.50 -1.36 0.07 0.00 -1.01 0.00 0.00 55.97 54.17 3mr8 s LYS 53 Cb -0.33 -4.74 -0.02 0.00 -1.01 0.00 0.00 37.83 31.74 3mr8 s LYS 53 CO 0.42 -1.84 0.32 0.08 0.51 0.00 0.00 175.35 174.84 3mr8 s VAL 54 N 3.44 2.37 -0.28 3.17 1.01 -1.03 -0.97 120.40 128.11 3mr8 s VAL 54 Ca 0.31 -1.48 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 3mr8 s VAL 54 Cb -0.08 -2.85 0.09 0.00 0.00 0.00 0.00 36.38 33.54 3mr8 s VAL 54 CO -0.03 0.00 0.73 0.00 0.00 0.00 0.00 175.10 175.80 3mr8 s ALA 55 N -2.56 -1.95 0.38 5.51 0.00 -0.97 -2.40 121.76 119.77 3mr8 s ALA 55 Ca 0.44 2.39 -0.26 0.00 0.00 0.00 0.00 51.96 54.53 3mr8 s ALA 55 Cb -0.01 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 3mr8 s ALA 55 CO 0.25 -0.41 1.15 0.15 0.00 0.00 0.00 175.76 176.90 3mr8 s LYS 56 N 1.68 4.17 -0.11 0.00 1.02 0.17 -2.20 119.74 124.47 3mr8 s LYS 56 Ca -0.10 1.81 -0.02 0.00 0.02 0.00 0.00 55.97 57.69 3mr8 s LYS 56 Cb -0.05 -2.75 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3mr8 s LYS 56 CO -0.19 -0.21 0.02 0.08 -0.92 0.00 0.00 175.35 174.12 3mr8 s VAL 57 N -1.39 0.40 -0.91 3.17 1.01 0.19 -0.71 120.40 122.14 3mr8 s VAL 57 Ca 0.55 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.20 3mr8 s VAL 57 Cb -0.30 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.43 3mr8 s VAL 57 CO 0.38 0.10 1.49 -0.60 0.00 0.00 0.00 175.10 176.47 3mr8 s ARG 58 N 1.95 3.31 0.64 2.72 3.52 -0.76 -1.94 118.95 128.39 3mr8 s ARG 58 Ca 0.03 -0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 54.75 3mr8 s ARG 58 Cb -0.14 -4.98 -0.04 0.00 -1.56 0.00 0.00 34.95 28.24 3mr8 s ARG 58 CO -0.06 -2.37 0.91 1.28 -0.81 0.00 0.00 175.30 174.25 3mr8 n LEU 59 N 9.85 3.34 0.31 -0.88 7.99 -1.15 -3.46 117.00 133.00 3mr8 n LEU 59 Ca 0.26 0.75 0.19 0.00 -0.01 0.00 0.00 56.01 57.19 3mr8 n LEU 59 Cb 0.50 -1.37 1.00 0.00 -0.11 0.00 0.00 43.42 43.44 3mr8 n LEU 59 CO 0.67 -2.07 1.11 0.71 -1.51 0.00 0.00 177.39 176.30 3mr8 h THR 60 N 0.20 0.18 0.00 -5.08 1.35 -1.87 -2.38 112.91 105.31 3mr8 h THR 60 Ca -0.48 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3mr8 h THR 60 Cb 1.36 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3mr8 h THR 60 CO 0.49 0.02 0.00 -1.54 -0.25 0.00 0.00 175.52 174.24 3mr8 n SER 61 N -3.29 2.66 0.00 5.36 3.41 -1.26 -4.80 113.62 115.69 3mr8 n SER 61 Ca -0.02 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3mr8 n SER 61 Cb 0.14 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3mr8 n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mr8 n GLY 62 N 0.45 1.44 0.00 5.00 0.00 -0.90 -4.94 105.19 106.24 3mr8 n GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mr8 n GLY 62 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mr8 n TYR 63 N -1.68 -2.20 -3.15 1.61 4.02 -1.25 -4.85 117.16 109.66 3mr8 n TYR 63 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 3mr8 n TYR 63 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 3mr8 n TYR 63 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3mr8 s GLU 64 N -2.16 0.22 0.23 -0.72 -6.30 -1.26 -2.96 118.70 105.75 3mr8 s GLU 64 Ca 0.00 0.30 0.01 0.00 -2.50 0.00 0.00 54.97 52.78 3mr8 s GLU 64 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 34.13 34.24 3mr8 s GLU 64 CO 0.00 -0.32 0.10 0.08 0.02 0.00 0.00 175.26 175.14 3mr8 s VAL 65 N 2.94 0.42 -0.11 3.70 1.01 -0.82 -4.94 120.40 122.60 3mr8 s VAL 65 Ca 0.13 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.05 3mr8 s VAL 65 Cb -0.07 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3mr8 s VAL 65 CO -0.18 -0.04 0.11 0.42 0.00 0.00 0.00 175.10 175.41 3mr8 s THR 66 N -3.86 5.23 -0.03 3.92 -4.23 -1.26 0.53 115.64 115.94 3mr8 s THR 66 Ca 0.37 0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.97 3mr8 s THR 66 Cb 0.07 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.68 3mr8 s THR 66 CO 0.12 0.61 0.05 0.00 -0.54 0.00 0.00 174.62 174.87 3mr8 s ALA 67 N -1.00 0.03 0.19 3.99 0.00 -0.94 -4.11 121.76 119.92 3mr8 s ALA 67 Ca 0.15 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3mr8 s ALA 67 Cb -0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 3mr8 s ALA 67 CO 0.04 -0.14 1.05 -0.47 0.00 0.00 0.00 175.76 176.24 3mr8 s TYR 68 N 1.16 3.69 -0.32 0.00 5.04 -0.66 -2.29 117.35 123.97 3mr8 s TYR 68 Ca -0.08 1.70 -0.14 0.00 -2.44 0.00 0.00 57.07 56.10 3mr8 s TYR 68 Cb -0.13 -3.19 -0.02 0.00 0.35 0.00 0.00 41.96 38.97 3mr8 s TYR 68 CO -0.04 -0.29 0.32 0.42 -1.34 0.00 0.00 175.55 174.62 3mr8 s ILE 69 N -0.49 5.21 0.11 3.14 1.09 -0.15 -1.71 121.20 128.40 3mr8 s ILE 69 Ca 0.47 0.09 -0.02 0.00 -1.10 0.00 0.00 60.65 60.09 3mr8 s ILE 69 Cb -0.28 -3.74 0.02 0.00 -1.06 0.00 0.00 42.46 37.40 3mr8 s ILE 69 CO 0.35 0.01 0.15 -2.65 -0.10 0.00 0.00 174.94 172.69 3mr8 n PRO 70 N 5.28 -0.02 -0.75 2.79 -0.02 -1.26 -4.55 135.00 136.47 3mr8 n PRO 70 Ca -0.10 -0.26 0.10 0.00 -2.02 0.00 0.00 63.50 61.22 3mr8 n PRO 70 Cb 0.50 -0.14 -0.03 0.00 -0.02 0.00 0.00 33.50 33.81 3mr8 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mr8 n GLY 71 N 4.00 -1.86 3.63 -1.23 0.00 -1.26 -4.75 105.19 103.72 3mr8 n GLY 71 Ca 0.02 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 3mr8 n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mr8 s GLU 72 N -1.40 4.09 0.42 1.61 2.02 -1.26 -4.97 118.70 119.21 3mr8 s GLU 72 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.28 3mr8 s GLU 72 Cb 0.00 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.61 3mr8 s GLU 72 CO 0.00 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.42 3mr8 n GLY 73 N 4.29 -2.27 0.00 -1.39 0.00 -1.26 -4.63 105.19 99.93 3mr8 n GLY 73 Ca -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3mr8 n GLY 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3mr8 n HIS 74 N -4.12 -0.15 -1.83 1.61 1.44 -1.26 -4.94 115.22 105.96 3mr8 n HIS 74 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3mr8 n HIS 74 Cb 0.67 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.78 3mr8 n HIS 74 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3mr8 n ASN 75 N -0.15 0.00 -4.80 4.39 6.94 -1.26 -5.10 115.26 115.28 3mr8 n ASN 75 Ca 0.00 -1.21 -0.33 0.00 -0.02 0.00 0.00 54.58 53.02 3mr8 n ASN 75 Cb 0.00 -0.04 0.01 0.00 -2.36 0.00 0.00 39.78 37.39 3mr8 n ASN 75 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3mr8 s LEU 76 N 0.00 3.52 0.00 -4.53 1.02 -1.26 -5.01 118.68 112.42 3mr8 s LEU 76 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 54.13 56.01 3mr8 s LEU 76 Cb 0.00 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.67 3mr8 s LEU 76 CO 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 176.35 175.18 3mr8 n GLN 77 N -1.97 0.03 0.00 1.70 6.02 -1.26 -5.02 117.38 116.87 3mr8 n GLN 77 Ca 0.09 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.17 3mr8 n GLN 77 Cb 0.53 0.00 0.42 0.00 1.02 0.00 0.00 30.24 32.21 3mr8 n GLN 77 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3mr8 n GLU 78 N 0.00 0.01 -1.32 -1.09 2.13 -1.26 -3.56 120.64 115.55 3mr8 n GLU 78 Ca 0.00 0.16 0.04 0.00 0.66 0.00 0.00 57.16 58.02 3mr8 n GLU 78 Cb 0.00 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.24 3mr8 n GLU 78 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3mr8 n HIS 79 N -1.49 0.00 -3.28 4.31 8.25 -1.22 -4.21 115.22 117.58 3mr8 n HIS 79 Ca 0.05 -0.50 -0.38 0.00 -0.26 0.00 0.00 57.72 56.62 3mr8 n HIS 79 Cb 0.23 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3mr8 n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3mr8 s SER 80 N -1.96 6.84 0.93 0.41 0.01 -1.23 -4.84 113.70 113.86 3mr8 s SER 80 Ca 0.30 1.00 -0.14 0.00 1.31 0.00 0.00 55.95 58.42 3mr8 s SER 80 Cb 0.34 -2.32 0.16 0.00 0.21 0.00 0.00 66.02 64.41 3mr8 s SER 80 CO -0.14 0.08 1.20 0.68 0.41 0.00 0.00 173.24 175.46 3mr8 s VAL 81 N 0.07 1.96 0.00 3.43 -7.23 -1.26 0.12 120.40 117.48 3mr8 s VAL 81 Ca 0.28 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 3mr8 s VAL 81 Cb -0.17 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.92 3mr8 s VAL 81 CO 0.14 0.00 0.00 0.55 -0.31 0.00 0.00 175.10 175.48 3mr8 n VAL 82 N -3.76 0.00 -3.00 1.32 3.14 -0.76 -3.82 118.33 111.44 3mr8 n VAL 82 Ca 0.10 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.30 3mr8 n VAL 82 Cb 0.60 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.40 3mr8 n VAL 82 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3mr8 s LEU 83 N 0.00 3.56 -0.06 6.55 1.43 -1.26 -2.01 118.68 126.89 3mr8 s LEU 83 Ca 0.00 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 3mr8 s LEU 83 Cb 0.00 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 3mr8 s LEU 83 CO 0.00 -0.87 -0.23 -0.63 0.23 0.00 0.00 176.35 174.85 3mr8 s ILE 84 N -2.41 1.91 -0.01 -0.59 1.09 -0.81 -2.43 121.20 117.96 3mr8 s ILE 84 Ca 0.56 -0.98 0.04 0.00 -1.10 0.00 0.00 60.65 59.17 3mr8 s ILE 84 Cb -0.09 -1.63 -0.25 0.00 -1.06 0.00 0.00 42.46 39.43 3mr8 s ILE 84 CO 0.34 0.53 0.79 -0.09 -0.10 0.00 0.00 174.94 176.41 3mr8 h ARG 85 N 6.22 0.12 -2.36 2.79 2.43 0.56 -3.26 114.38 120.88 3mr8 h ARG 85 Ca -0.30 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3mr8 h ARG 85 Cb 1.19 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3mr8 h ARG 85 CO 0.47 0.87 0.00 0.41 -1.51 0.00 0.00 179.97 180.21 3mr8 n GLY 86 N 1.62 -2.70 0.00 2.80 0.00 -1.24 -4.82 105.19 100.85 3mr8 n GLY 86 Ca -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3mr8 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr8 n GLY 87 N 0.10 1.75 3.69 -0.02 0.00 -1.23 -4.71 105.19 104.77 3mr8 n GLY 87 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 3mr8 n GLY 87 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mr8 s ARG 88 N 0.00 0.28 -0.30 1.61 1.70 -1.26 -3.15 118.95 117.84 3mr8 s ARG 88 Ca 0.00 0.37 0.01 0.00 -0.47 0.00 0.00 55.73 55.64 3mr8 s ARG 88 Cb 0.00 -1.73 0.09 0.00 -0.57 0.00 0.00 34.95 32.73 3mr8 s ARG 88 CO 0.00 -2.80 0.03 0.08 -1.08 0.00 0.00 175.30 171.54 3mr8 s VAL 89 N -3.04 1.56 0.40 4.99 1.01 -0.88 -4.90 120.40 119.54 3mr8 s VAL 89 Ca 0.66 -1.67 0.28 0.00 0.00 0.00 0.00 61.98 61.25 3mr8 s VAL 89 Cb -0.17 -2.06 0.28 0.00 0.00 0.00 0.00 36.38 34.43 3mr8 s VAL 89 CO 0.57 -0.47 1.83 0.11 0.00 0.00 0.00 175.10 177.14 3mr8 h LYS 90 N 7.88 0.00 0.00 2.72 1.79 -1.96 0.16 116.57 127.16 3mr8 h LYS 90 Ca -0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3mr8 h LYS 90 Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 3mr8 h LYS 90 CO 0.47 0.00 -0.67 -3.47 -1.08 0.00 0.00 179.45 174.70 3mr8 n ASP 91 N -2.65 0.64 -4.11 0.86 2.03 -1.26 -4.80 116.55 107.26 3mr8 n ASP 91 Ca -0.02 0.01 -0.33 0.00 0.52 0.00 0.00 54.79 54.97 3mr8 n ASP 91 Cb 0.26 0.28 -0.16 0.00 -0.72 0.00 0.00 41.12 40.78 3mr8 n ASP 91 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mr8 s LEU 92 N -3.95 2.10 0.33 -2.67 1.43 0.56 -1.53 118.68 114.94 3mr8 s LEU 92 Ca 0.07 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 3mr8 s LEU 92 Cb 0.14 -1.44 -0.11 0.00 0.03 0.00 0.00 46.19 44.82 3mr8 s LEU 92 CO 0.73 -0.01 1.41 -2.84 0.23 0.00 0.00 176.35 175.87 3mr8 s PRO 93 N 1.31 4.24 0.00 1.29 0.02 -1.26 -3.21 135.00 137.39 3mr8 s PRO 93 Ca 0.05 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3mr8 s PRO 93 Cb -0.13 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3mr8 s PRO 93 CO -0.13 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 3mr8 n GLY 94 N 1.06 2.47 3.53 0.52 0.00 -1.26 -4.94 105.19 106.56 3mr8 n GLY 94 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3mr8 n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr8 s VAL 95 N -1.19 3.92 -0.26 1.61 1.01 -1.20 -4.81 120.40 119.50 3mr8 s VAL 95 Ca 0.00 0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.37 3mr8 s VAL 95 Cb 0.00 -4.82 0.46 0.00 0.00 0.00 0.00 36.38 32.02 3mr8 s VAL 95 CO 0.00 -1.67 1.34 0.54 0.00 0.00 0.00 175.10 175.31 3mr8 n ARG 96 N 8.80 1.80 -3.69 2.72 1.74 -1.26 -2.07 116.66 124.70 3mr8 n ARG 96 Ca 0.02 -3.30 -0.10 0.00 -0.77 0.00 0.00 57.85 53.70 3mr8 n ARG 96 Cb 0.48 -1.75 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 3mr8 n ARG 96 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3mr8 s TYR 97 N -3.27 -0.62 0.32 -1.55 1.51 -1.24 -3.49 117.35 109.00 3mr8 s TYR 97 Ca 0.42 1.31 -0.07 0.00 -1.01 0.00 0.00 57.07 57.72 3mr8 s TYR 97 Cb 0.39 0.28 -0.06 0.00 -0.11 0.00 0.00 41.96 42.46 3mr8 s TYR 97 CO -0.03 -0.35 0.62 -1.01 -1.11 0.00 0.00 175.55 173.66 3mr8 s HIS 98 N 1.42 3.47 -0.10 2.71 3.76 -1.19 -1.65 115.29 123.71 3mr8 s HIS 98 Ca -0.09 0.79 -0.04 0.00 -0.15 0.00 0.00 55.06 55.56 3mr8 s HIS 98 Cb -0.08 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 3mr8 s HIS 98 CO -0.13 0.10 0.08 -1.50 -0.85 0.00 0.00 174.74 172.44 3mr8 s ILE 99 N -2.14 4.94 -0.07 0.60 2.07 -0.70 0.11 121.20 126.02 3mr8 s ILE 99 Ca 0.46 -0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 59.41 3mr8 s ILE 99 Cb -0.11 -3.13 -0.03 0.00 0.13 0.00 0.00 42.46 39.33 3mr8 s ILE 99 CO 0.29 0.60 0.85 -0.69 -1.91 0.00 0.00 174.94 174.08 3mr8 s VAL 100 N -0.98 4.93 0.45 4.00 1.01 -1.02 -4.73 120.40 124.07 3mr8 s VAL 100 Ca 0.15 1.75 -0.07 0.00 0.00 0.00 0.00 61.98 63.81 3mr8 s VAL 100 Cb -0.12 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3mr8 s VAL 100 CO 0.04 0.15 0.78 -0.13 0.00 0.00 0.00 175.10 175.94 3mr8 s ARG 101 N 1.28 3.63 0.00 2.72 1.81 -1.26 -4.28 118.95 122.85 3mr8 s ARG 101 Ca 0.44 0.32 0.00 0.00 -1.72 0.00 0.00 55.73 54.76 3mr8 s ARG 101 Cb -0.19 -2.38 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 3mr8 s ARG 101 CO 0.20 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.08 3mr8 n GLY 102 N -1.90 0.36 3.18 -3.53 0.00 -0.61 -4.67 105.19 98.03 3mr8 n GLY 102 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3mr8 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr8 s VAL 103 N -1.87 1.81 0.00 1.61 1.01 -0.93 -4.88 120.40 117.14 3mr8 s VAL 103 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3mr8 s VAL 103 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3mr8 s VAL 103 CO 0.00 0.51 0.00 -1.22 0.00 0.00 0.00 175.10 174.39 3mr8 n TYR 104 N 3.40 0.00 0.22 5.22 0.53 -1.26 -2.36 117.16 122.92 3mr8 n TYR 104 Ca -0.19 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.73 3mr8 n TYR 104 Cb 0.53 0.05 0.21 0.00 -1.03 0.00 0.00 39.34 39.09 3mr8 n TYR 104 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3mr8 n ASP 105 N 0.72 0.11 -4.55 7.72 8.00 -1.25 -4.50 116.55 122.80 3mr8 n ASP 105 Ca 0.00 0.54 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 3mr8 n ASP 105 Cb 0.00 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 3mr8 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mr8 s ALA 106 N -3.08 3.01 0.65 2.24 0.00 -0.99 -4.74 121.76 118.85 3mr8 s ALA 106 Ca 0.03 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 3mr8 s ALA 106 Cb 0.05 -3.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.18 3mr8 s ALA 106 CO 0.14 -2.70 1.05 0.00 0.00 0.00 0.00 175.76 174.25 3mr8 s ALA 107 N 4.74 2.81 1.11 0.00 0.00 -1.26 -1.57 121.76 127.58 3mr8 s ALA 107 Ca 0.36 0.10 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 3mr8 s ALA 107 Cb -0.10 -3.16 0.23 0.00 0.00 0.00 0.00 23.12 20.10 3mr8 s ALA 107 CO 0.21 -0.99 1.06 0.41 0.00 0.00 0.00 175.76 176.45 3mr8 n GLY 108 N -1.99 -2.11 3.79 0.00 0.00 -1.26 -3.76 105.19 99.87 3mr8 n GLY 108 Ca 0.07 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 3mr8 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr8 s VAL 109 N -3.13 4.42 0.02 1.61 1.01 -1.19 -4.93 120.40 118.21 3mr8 s VAL 109 Ca 0.64 1.56 -0.12 0.00 0.00 0.00 0.00 61.98 64.05 3mr8 s VAL 109 Cb -0.04 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 3mr8 s VAL 109 CO 0.47 0.33 0.39 -0.75 0.00 0.00 0.00 175.10 175.53 3mr8 s LYS 110 N -1.65 3.83 0.00 2.72 2.20 -1.26 -4.35 119.74 121.23 3mr8 s LYS 110 Ca 0.41 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 3mr8 s LYS 110 Cb -0.20 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 3mr8 s LYS 110 CO 0.24 0.65 0.00 -0.25 -0.36 0.00 0.00 175.35 175.62 3mr8 n ASP 111 N 1.47 0.00 -4.77 1.43 8.00 -1.26 -4.96 116.55 116.46 3mr8 n ASP 111 Ca -0.12 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.98 3mr8 n ASP 111 Cb 0.52 -0.59 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 3mr8 n ASP 111 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3mr8 s ARG 112 N 0.00 3.78 -0.00 -1.24 3.52 -1.26 -4.97 118.95 118.78 3mr8 s ARG 112 Ca 0.00 2.40 -0.01 0.00 -0.13 0.00 0.00 55.73 57.99 3mr8 s ARG 112 Cb 0.00 -2.71 -0.00 0.00 -1.56 0.00 0.00 34.95 30.68 3mr8 s ARG 112 CO 0.00 -0.73 -0.02 1.63 -0.81 0.00 0.00 175.30 175.36 3mr8 n LYS 113 N -0.07 0.04 -2.25 5.12 4.76 -1.26 -4.94 118.16 119.56 3mr8 n LYS 113 Ca 0.04 0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 55.11 3mr8 n LYS 113 Cb 0.42 -0.32 -0.02 0.00 -1.84 0.00 0.00 35.03 33.27 3mr8 n LYS 113 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3mr8 s LYS 114 N -1.24 4.13 -1.17 1.97 1.02 -1.26 -3.76 119.74 119.43 3mr8 s LYS 114 Ca -0.02 1.93 -0.04 0.00 0.02 0.00 0.00 55.97 57.85 3mr8 s LYS 114 Cb 0.00 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 3mr8 s LYS 114 CO 0.03 -0.28 1.00 0.43 -0.92 0.00 0.00 175.35 175.62 3mr8 n SER 115 N 0.28 -4.17 0.29 2.83 7.64 -1.26 -4.88 113.62 114.35 3mr8 n SER 115 Ca 0.03 -0.53 0.15 0.00 1.01 0.00 0.00 58.87 59.53 3mr8 n SER 115 Cb 0.45 -4.67 0.88 0.00 -1.01 0.00 0.00 64.21 59.86 3mr8 n SER 115 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3mr8 h ARG 116 N -2.13 0.00 0.49 1.43 3.08 -1.86 -3.09 114.38 112.31 3mr8 h ARG 116 Ca -0.53 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 3mr8 h ARG 116 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3mr8 h ARG 116 CO 0.48 0.03 -0.25 1.03 -1.07 0.00 0.00 179.97 180.20 3mr8 h SER 117 N 0.00 -0.60 -0.87 7.04 0.87 -1.90 0.41 113.55 118.51 3mr8 h SER 117 Ca -0.00 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.71 3mr8 h SER 117 Cb 0.09 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.12 3mr8 h SER 117 CO 0.00 -0.41 0.48 0.11 -0.53 0.00 0.00 176.83 176.48 3mr8 h LYS 118 N -0.68 0.70 -0.64 2.24 1.57 -1.94 -1.06 116.57 116.77 3mr8 h LYS 118 Ca -0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3mr8 h LYS 118 Cb 0.52 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3mr8 h LYS 118 CO 0.10 0.47 0.00 0.66 -0.57 0.00 0.00 179.45 180.11 3mr8 n TYR 119 N -4.80 1.68 -3.61 -1.35 4.02 -1.19 -4.73 117.16 107.18 3mr8 n TYR 119 Ca 0.17 -0.60 -0.20 0.00 -0.01 0.00 0.00 57.90 57.25 3mr8 n TYR 119 Cb 0.38 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3mr8 n TYR 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mr8 n GLY 120 N 0.73 -1.19 2.79 2.72 0.00 -0.05 -3.19 105.19 106.99 3mr8 n GLY 120 Ca 0.24 0.63 -0.26 0.00 0.00 0.00 0.00 46.02 46.63 3mr8 n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mr8 s THR 121 N -2.87 0.63 0.20 2.61 2.01 -0.15 -3.83 115.64 114.23 3mr8 s THR 121 Ca 0.03 -0.33 -0.32 0.00 0.31 0.00 0.00 61.69 61.39 3mr8 s THR 121 Cb -0.00 -0.92 -0.12 0.00 0.01 0.00 0.00 72.50 71.47 3mr8 s THR 121 CO 0.86 0.05 1.70 -0.75 -0.69 0.00 0.00 174.62 175.80 3mr8 s LYS 122 N 1.84 4.14 0.00 4.92 2.20 -1.26 -4.71 119.74 126.87 3mr8 s LYS 122 Ca 0.02 2.57 -0.33 0.00 -0.36 0.00 0.00 55.97 57.87 3mr8 s LYS 122 Cb -0.15 -3.11 -0.11 0.00 -1.51 0.00 0.00 37.83 32.95 3mr8 s LYS 122 CO -0.07 -0.74 1.86 1.17 -0.36 0.00 0.00 175.35 177.21 3mr8 n LYS 123 N 4.05 2.43 -0.44 4.03 4.81 -1.26 -4.97 118.16 126.82 3mr8 n LYS 123 Ca 0.16 0.89 -0.17 0.00 -0.87 0.00 0.00 58.31 58.32 3mr8 n LYS 123 Cb 0.36 -2.76 0.14 0.00 0.02 0.00 0.00 35.03 32.80 3mr8 n LYS 123 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3mr8 n PRO 124 N 6.28 -2.61 -3.78 1.64 -0.02 -1.26 -5.06 135.00 130.19 3mr8 n PRO 124 Ca 0.21 -0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 60.49 3mr8 n PRO 124 Cb 0.33 -0.94 -0.16 0.00 -0.02 0.00 0.00 33.50 32.71 3mr8 n PRO 124 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3mr8 s LYS 125 N -4.30 0.89 0.03 -0.52 2.47 -1.26 -5.03 119.74 112.03 3mr8 s LYS 125 Ca 0.38 -0.66 -0.26 0.00 -1.56 0.00 0.00 55.97 53.88 3mr8 s LYS 125 Cb -0.05 -2.21 -0.17 0.00 -1.46 0.00 0.00 37.83 33.95 3mr8 s LYS 125 CO 0.30 -0.69 1.44 0.93 0.16 0.00 0.00 175.35 177.49 3mr8 h GLU 126 N 8.15 -0.25 0.00 4.03 4.39 -2.05 -3.58 114.58 125.27 3mr8 h GLU 126 Ca -0.16 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3mr8 h GLU 126 Cb 1.09 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3mr8 h GLU 126 CO 0.38 0.01 0.00 0.00 -1.16 0.00 0.00 179.01 178.24