#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 s ARG 12 N 0.00 3.84 -0.15 1.97 3.52 -1.26 -5.08 118.95 121.80 3mr8 s ARG 12 Ca 0.00 0.35 -0.17 0.00 -0.13 0.00 0.00 55.73 55.78 3mr8 s ARG 12 Cb 0.00 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 3mr8 s ARG 12 CO 0.00 0.30 0.42 -0.65 -0.81 0.00 0.00 175.30 174.56 3mr8 s GLN 13 N -2.81 4.28 -0.02 5.12 1.11 -1.26 -4.97 119.66 121.12 3mr8 s GLN 13 Ca 0.48 0.32 -0.00 0.00 0.01 0.00 0.00 55.36 56.17 3mr8 s GLN 13 Cb -0.11 -3.46 0.02 0.00 -1.01 0.00 0.00 33.01 28.45 3mr8 s GLN 13 CO 0.20 0.12 0.03 0.14 0.01 0.00 0.00 175.29 175.79 3mr8 s VAL 14 N 0.79 -0.04 0.17 1.09 -7.23 -1.09 -4.97 120.40 109.12 3mr8 s VAL 14 Ca 0.22 0.15 -0.11 0.00 -1.81 0.00 0.00 61.98 60.43 3mr8 s VAL 14 Cb -0.15 -0.07 0.05 0.00 0.56 0.00 0.00 36.38 36.78 3mr8 s VAL 14 CO 0.08 0.06 1.65 0.00 -0.31 0.00 0.00 175.10 176.58 3mr8 h ALA 15 N 6.93 0.77 -2.44 1.32 0.00 -1.83 -3.35 119.26 120.66 3mr8 h ALA 15 Ca -0.39 -0.27 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 3mr8 h ALA 15 Cb 1.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3mr8 h ALA 15 CO 0.49 0.54 0.63 0.45 0.00 0.00 0.00 179.25 181.35 3mr8 s SER 16 N -6.38 7.04 0.18 0.00 0.15 -1.26 -1.23 113.70 112.20 3mr8 s SER 16 Ca -0.12 1.99 0.04 0.00 0.70 0.00 0.00 55.95 58.56 3mr8 s SER 16 Cb 0.13 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 3mr8 s SER 16 CO 0.83 -0.53 0.15 0.61 1.20 0.00 0.00 173.24 175.50 3mr8 n GLY 17 N 3.31 3.42 3.46 9.45 0.00 -0.83 -4.49 105.19 119.51 3mr8 n GLY 17 Ca 0.10 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 3mr8 n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mr8 s ARG 18 N -2.74 0.54 -0.26 1.61 3.52 0.58 -0.20 118.95 122.00 3mr8 s ARG 18 Ca 0.22 1.05 -0.04 0.00 -0.13 0.00 0.00 55.73 56.82 3mr8 s ARG 18 Cb 0.01 0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.55 3mr8 s ARG 18 CO 0.15 -0.17 0.00 0.00 -0.81 0.00 0.00 175.30 174.48 3mr8 s ALA 19 N 1.71 2.89 -0.09 6.12 0.00 0.24 -0.16 121.76 132.49 3mr8 s ALA 19 Ca -0.09 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 3mr8 s ALA 19 Cb -0.07 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 3mr8 s ALA 19 CO -0.16 -0.74 0.28 0.71 0.00 0.00 0.00 175.76 175.85 3mr8 s TYR 20 N 1.45 3.61 -0.07 0.00 1.51 0.57 0.70 117.35 125.11 3mr8 s TYR 20 Ca 0.03 0.71 0.04 0.00 -1.01 0.00 0.00 57.07 56.84 3mr8 s TYR 20 Cb -0.16 -2.17 0.00 0.00 -0.11 0.00 0.00 41.96 39.52 3mr8 s TYR 20 CO -0.01 0.57 -0.18 0.42 -1.11 0.00 0.00 175.55 175.23 3mr8 s ILE 21 N -0.64 1.58 -0.43 2.71 1.09 -0.57 -0.53 121.20 124.41 3mr8 s ILE 21 Ca 0.18 -0.77 0.03 0.00 -1.10 0.00 0.00 60.65 59.00 3mr8 s ILE 21 Cb -0.14 -1.38 0.12 0.00 -1.06 0.00 0.00 42.46 40.00 3mr8 s ILE 21 CO 0.07 0.45 0.16 -2.28 -0.10 0.00 0.00 174.94 173.25 3mr8 s HIS 22 N 0.29 3.15 -0.53 3.97 2.46 0.80 0.47 115.29 125.89 3mr8 s HIS 22 Ca -0.11 -2.91 -0.23 0.00 0.47 0.00 0.00 55.06 52.27 3mr8 s HIS 22 Cb -0.15 -2.67 0.04 0.00 -0.13 0.00 0.00 32.58 29.68 3mr8 s HIS 22 CO 0.05 -0.84 0.87 0.00 -2.47 0.00 0.00 174.74 172.35 3mr8 s ALA 23 N 0.39 3.22 0.00 1.58 0.00 -0.23 -1.44 121.76 125.28 3mr8 s ALA 23 Ca 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3mr8 s ALA 23 Cb -0.22 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.26 3mr8 s ALA 23 CO -0.05 -2.27 0.00 0.45 0.00 0.00 0.00 175.76 173.89 3mr8 n SER 24 N 7.14 0.08 -0.03 0.00 2.88 -0.07 -2.79 113.62 120.83 3mr8 n SER 24 Ca 0.00 -0.46 -0.01 0.00 -1.33 0.00 0.00 58.87 57.08 3mr8 n SER 24 Cb 0.47 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.86 3mr8 n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3mr8 n TYR 25 N -0.44 0.00 1.05 0.66 4.02 -1.26 -3.76 117.16 117.43 3mr8 n TYR 25 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 3mr8 n TYR 25 Cb 0.00 -0.34 0.11 0.00 -0.02 0.00 0.00 39.34 39.08 3mr8 n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3mr8 n ASN 26 N -2.13 1.11 -3.98 7.72 4.13 -1.26 -4.43 115.26 116.42 3mr8 n ASN 26 Ca -0.09 -0.90 0.05 0.00 1.68 0.00 0.00 54.58 55.31 3mr8 n ASN 26 Cb 0.57 0.50 0.01 0.00 -1.54 0.00 0.00 39.78 39.33 3mr8 n ASN 26 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3mr8 s ASN 27 N -2.77 0.00 -0.24 6.41 2.47 -1.26 -3.36 114.94 116.19 3mr8 s ASN 27 Ca 0.15 -0.03 -0.12 0.00 0.42 0.00 0.00 52.86 53.28 3mr8 s ASN 27 Cb 0.18 0.02 0.08 0.00 -1.45 0.00 0.00 41.25 40.08 3mr8 s ASN 27 CO 0.68 -0.04 0.57 -0.89 -3.72 0.00 0.00 177.10 173.70 3mr8 s THR 28 N -2.01 -0.25 0.26 -5.21 2.01 -1.26 -0.90 115.64 108.30 3mr8 s THR 28 Ca 0.31 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.46 3mr8 s THR 28 Cb 0.01 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 3mr8 s THR 28 CO -0.03 0.02 -0.03 0.27 -0.69 0.00 0.00 174.62 174.16 3mr8 s ILE 29 N 1.89 3.34 -0.06 1.82 -5.25 -0.52 -3.30 121.20 119.12 3mr8 s ILE 29 Ca -0.08 -1.95 -0.06 0.00 -0.99 0.00 0.00 60.65 57.57 3mr8 s ILE 29 Cb -0.08 -2.78 0.02 0.00 2.95 0.00 0.00 42.46 42.57 3mr8 s ILE 29 CO -0.17 -0.36 0.18 0.68 -1.79 0.00 0.00 174.94 173.48 3mr8 s VAL 30 N -2.31 0.01 -0.02 8.37 -7.23 0.90 -0.14 120.40 119.98 3mr8 s VAL 30 Ca 0.31 -0.07 -0.01 0.00 -1.81 0.00 0.00 61.98 60.40 3mr8 s VAL 30 Cb -0.06 -0.28 0.02 0.00 0.56 0.00 0.00 36.38 36.62 3mr8 s VAL 30 CO 0.19 -0.04 0.04 0.28 -0.31 0.00 0.00 175.10 175.26 3mr8 s THR 31 N -0.07 -0.03 0.24 5.32 -1.32 0.31 -0.20 115.64 119.89 3mr8 s THR 31 Ca -0.02 0.13 -0.07 0.00 -1.21 0.00 0.00 61.69 60.52 3mr8 s THR 31 Cb -0.02 -0.08 -0.06 0.00 -1.51 0.00 0.00 72.50 70.83 3mr8 s THR 31 CO 0.00 0.05 0.53 -0.63 -2.21 0.00 0.00 174.62 172.36 3mr8 s ILE 32 N 0.66 5.00 -0.02 5.08 -1.09 0.10 -0.32 121.20 130.61 3mr8 s ILE 32 Ca -0.05 0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 3mr8 s ILE 32 Cb -0.08 -3.66 0.07 0.00 -1.58 0.00 0.00 42.46 37.21 3mr8 s ILE 32 CO -0.02 -0.15 0.66 0.28 -1.23 0.00 0.00 174.94 174.48 3mr8 s THR 33 N -1.90 0.00 1.05 2.92 -1.32 0.78 -0.98 115.64 116.19 3mr8 s THR 33 Ca 0.45 -0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.80 3mr8 s THR 33 Cb -0.11 -0.99 0.22 0.00 -1.51 0.00 0.00 72.50 70.10 3mr8 s THR 33 CO 0.25 -0.01 1.07 1.51 -2.21 0.00 0.00 174.62 175.24 3mr8 s ASP 34 N -1.39 2.14 0.61 8.08 3.84 -0.95 -0.30 116.67 128.69 3mr8 s ASP 34 Ca -0.09 1.28 0.33 0.00 -0.00 0.00 0.00 52.55 54.07 3mr8 s ASP 34 Cb -0.00 -1.98 1.80 0.00 -1.38 0.00 0.00 42.92 41.36 3mr8 s ASP 34 CO 0.07 -3.45 2.00 -0.65 -0.00 0.00 0.00 175.17 173.15 3mr8 h PRO 35 N -2.11 0.00 0.34 2.11 0.11 -1.86 -2.77 132.00 127.82 3mr8 h PRO 35 Ca -0.57 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3mr8 h PRO 35 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3mr8 h PRO 35 CO 0.55 0.00 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.74 3mr8 h ASP 36 N 0.00 -0.38 0.00 -2.05 3.45 -1.98 -3.48 116.42 111.97 3mr8 h ASP 36 Ca 0.00 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.41 3mr8 h ASP 36 Cb 0.37 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3mr8 h ASP 36 CO 0.00 0.07 0.00 0.61 -1.57 0.00 0.00 179.24 178.35 3mr8 n GLY 37 N 0.52 0.26 3.70 2.75 0.00 -1.04 -5.14 105.19 106.25 3mr8 n GLY 37 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3mr8 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mr8 s ASN 38 N 0.00 7.17 0.97 1.61 0.02 -1.26 -4.82 114.94 118.63 3mr8 s ASN 38 Ca 0.00 1.78 -0.11 0.00 -1.02 0.00 0.00 52.86 53.51 3mr8 s ASN 38 Cb 0.00 -2.57 0.16 0.00 0.02 0.00 0.00 41.25 38.86 3mr8 s ASN 38 CO 0.00 -0.45 1.01 -2.65 0.02 0.00 0.00 177.10 175.03 3mr8 n PRO 39 N 4.49 -0.77 0.00 -0.60 -0.02 -1.26 -2.25 135.00 134.58 3mr8 n PRO 39 Ca 0.09 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3mr8 n PRO 39 Cb 0.48 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3mr8 n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3mr8 n ILE 40 N -4.29 0.00 -3.52 4.25 2.08 -0.15 -4.80 119.36 112.93 3mr8 n ILE 40 Ca 0.10 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.26 3mr8 n ILE 40 Cb 0.53 -0.21 -0.05 0.00 -0.75 0.00 0.00 39.64 39.16 3mr8 n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3mr8 s THR 41 N -1.36 0.00 0.23 1.39 2.01 -1.24 -5.02 115.64 111.65 3mr8 s THR 41 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3mr8 s THR 41 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3mr8 s THR 41 CO 0.00 0.00 0.17 -1.66 -0.69 0.00 0.00 174.62 172.44 3mr8 s TRP 42 N -1.70 1.26 0.03 4.92 1.48 -1.26 0.01 118.94 123.68 3mr8 s TRP 42 Ca -0.05 -1.42 -0.29 0.00 -1.06 0.00 0.00 56.10 53.28 3mr8 s TRP 42 Cb -0.00 -0.56 0.10 0.00 -1.16 0.00 0.00 33.47 31.84 3mr8 s TRP 42 CO 0.03 -0.70 1.06 0.45 -4.06 0.00 0.00 176.95 173.73 3mr8 s SER 43 N -3.20 -0.18 0.05 -2.66 0.15 0.73 -4.78 113.70 103.81 3mr8 s SER 43 Ca 0.39 -0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.74 3mr8 s SER 43 Cb 0.06 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.74 3mr8 s SER 43 CO 0.15 -0.60 0.48 -1.54 1.20 0.00 0.00 173.24 172.94 3mr8 n SER 44 N -0.38 -0.67 -0.02 5.45 3.41 -1.26 -0.07 113.62 120.08 3mr8 n SER 44 Ca -0.06 -1.30 -0.10 0.00 -0.26 0.00 0.00 58.87 57.14 3mr8 n SER 44 Cb 0.61 1.08 -0.04 0.00 -0.26 0.00 0.00 64.21 65.60 3mr8 n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3mr8 h GLY 45 N 0.85 0.19 1.96 5.00 0.00 -1.79 -2.11 103.07 107.18 3mr8 h GLY 45 Ca -0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 3mr8 h GLY 45 CO 0.15 0.05 -0.25 -1.33 0.00 0.00 0.00 176.54 175.16 3mr8 h GLY 46 N 0.16 0.05 0.81 4.60 0.00 -1.90 -1.96 103.07 104.83 3mr8 h GLY 46 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.38 3mr8 h GLY 46 CO -0.04 0.03 0.20 -2.08 0.00 0.00 0.00 176.54 174.65 3mr8 h VAL 47 N 0.04 0.98 0.43 4.60 2.07 -1.77 -2.90 116.25 119.71 3mr8 h VAL 47 Ca 0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3mr8 h VAL 47 Cb 0.47 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3mr8 h VAL 47 CO 0.03 0.07 -0.21 0.40 0.02 0.00 0.00 177.57 177.89 3mr8 h ILE 48 N 0.40 0.55 0.00 4.57 1.08 -1.02 -3.48 117.51 119.61 3mr8 h ILE 48 Ca 0.17 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3mr8 h ILE 48 Cb 0.07 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3mr8 h ILE 48 CO -0.11 0.06 0.00 0.61 -0.69 0.00 0.00 178.15 178.01 3mr8 n GLY 49 N -0.80 -0.24 3.34 5.37 0.00 -0.78 -5.14 105.19 106.95 3mr8 n GLY 49 Ca -0.11 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 3mr8 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mr8 s TYR 50 N 0.00 1.53 -0.03 1.61 4.12 -1.19 -4.99 117.35 118.40 3mr8 s TYR 50 Ca 0.00 -1.55 -0.01 0.00 0.02 0.00 0.00 57.07 55.54 3mr8 s TYR 50 Cb 0.00 -0.53 0.03 0.00 -1.52 0.00 0.00 41.96 39.94 3mr8 s TYR 50 CO 0.00 -0.94 0.04 0.15 0.02 0.00 0.00 175.55 174.82 3mr8 s LYS 51 N -3.36 0.02 4.84 -0.62 1.02 -1.26 -4.59 119.74 115.79 3mr8 s LYS 51 Ca 0.38 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.60 3mr8 s LYS 51 Cb 0.02 -0.40 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 3mr8 s LYS 51 CO 0.25 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 3mr8 n GLY 52 N 4.60 1.17 0.18 -3.33 0.00 -1.26 -1.56 105.19 104.98 3mr8 n GLY 52 Ca -0.19 0.48 0.01 0.00 0.00 0.00 0.00 46.02 46.33 3mr8 n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mr8 h SER 53 N 0.00 0.03 -0.30 1.61 4.64 -1.91 -2.61 113.55 115.01 3mr8 h SER 53 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3mr8 h SER 53 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3mr8 h SER 53 CO 0.00 0.44 0.20 0.03 -0.87 0.00 0.00 176.83 176.63 3mr8 h ARG 54 N 0.02 0.40 -0.41 4.77 2.47 -1.61 -1.83 114.38 118.19 3mr8 h ARG 54 Ca -0.00 -0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 3mr8 h ARG 54 Cb 0.74 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 3mr8 h ARG 54 CO 0.05 0.26 -0.28 0.87 0.56 0.00 0.00 179.97 181.43 3mr8 h LYS 55 N 0.41 0.88 0.00 0.04 1.57 -1.62 -2.83 116.57 115.02 3mr8 h LYS 55 Ca 0.11 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3mr8 h LYS 55 Cb -0.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3mr8 h LYS 55 CO -0.02 1.04 0.00 0.41 -0.57 0.00 0.00 179.45 180.31 3mr8 n GLY 56 N -0.07 -0.92 3.74 3.86 0.00 -0.70 -3.98 105.19 107.11 3mr8 n GLY 56 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3mr8 n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mr8 n THR 57 N -1.68 0.90 0.21 2.61 -1.04 -1.07 -4.67 114.28 109.55 3mr8 n THR 57 Ca 0.02 -0.23 0.05 0.00 -2.04 0.00 0.00 64.05 61.85 3mr8 n THR 57 Cb 0.13 -1.97 0.46 0.00 -1.82 0.00 0.00 70.33 67.13 3mr8 n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3mr8 h PRO 58 N 5.03 0.00 -0.48 -2.82 0.13 -1.85 -1.80 132.00 130.21 3mr8 h PRO 58 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3mr8 h PRO 58 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3mr8 h PRO 58 CO 0.81 0.25 -0.19 -0.92 -0.23 0.00 0.00 178.00 177.72 3mr8 h TYR 59 N 0.00 1.10 -0.66 1.56 3.20 -1.90 0.15 116.97 120.41 3mr8 h TYR 59 Ca -0.00 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 3mr8 h TYR 59 Cb 0.44 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3mr8 h TYR 59 CO 0.00 1.06 0.36 0.00 -1.64 0.00 0.00 178.16 177.94 3mr8 h ALA 60 N 0.93 0.85 -0.44 1.82 0.00 -1.73 -0.16 119.26 120.53 3mr8 h ALA 60 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3mr8 h ALA 60 Cb 0.75 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3mr8 h ALA 60 CO 0.06 0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.88 3mr8 h ALA 61 N 1.18 1.55 0.01 0.00 0.00 -1.01 0.22 119.26 121.21 3mr8 h ALA 61 Ca 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mr8 h ALA 61 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3mr8 h ALA 61 CO -0.04 0.36 -0.01 0.37 0.00 0.00 0.00 179.25 179.94 3mr8 h GLN 62 N 0.61 -0.01 -0.31 0.00 4.15 0.55 0.48 115.11 120.58 3mr8 h GLN 62 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 3mr8 h GLN 62 Cb 0.07 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3mr8 h GLN 62 CO -0.02 -0.01 0.09 -0.07 -1.93 0.00 0.00 178.83 176.89 3mr8 h LEU 63 N -0.01 0.47 -1.04 -2.39 3.38 -0.37 -2.45 115.31 112.90 3mr8 h LEU 63 Ca -0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3mr8 h LEU 63 Cb 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3mr8 h LEU 63 CO 0.00 0.57 0.54 0.00 0.09 0.00 0.00 178.44 179.63 3mr8 h ALA 64 N 0.92 1.28 -0.71 1.53 0.00 -0.48 0.94 119.26 122.73 3mr8 h ALA 64 Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3mr8 h ALA 64 Cb 0.27 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3mr8 h ALA 64 CO -0.00 0.62 0.39 0.00 0.00 0.00 0.00 179.25 180.26 3mr8 h ALA 65 N 1.37 0.91 -0.28 0.00 0.00 -0.74 0.23 119.26 120.76 3mr8 h ALA 65 Ca 0.32 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3mr8 h ALA 65 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3mr8 h ALA 65 CO -0.06 0.43 -0.46 -0.07 0.00 0.00 0.00 179.25 179.09 3mr8 h LEU 66 N 0.98 0.81 -0.50 0.00 3.38 -0.88 -2.18 115.31 116.92 3mr8 h LEU 66 Ca 0.25 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3mr8 h LEU 66 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3mr8 h LEU 66 CO -0.04 1.14 -0.17 -0.78 0.09 0.00 0.00 178.44 178.68 3mr8 h ASP 67 N 0.59 1.01 0.04 -0.43 1.82 -0.56 0.67 116.42 119.57 3mr8 h ASP 67 Ca 0.03 -0.38 -0.04 0.00 -0.39 0.00 0.00 57.03 56.25 3mr8 h ASP 67 Cb 1.03 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 3mr8 h ASP 67 CO 0.10 1.16 -0.12 0.00 -1.61 0.00 0.00 179.24 178.77 3mr8 h ALA 68 N 0.88 1.59 0.09 -0.78 0.00 -0.91 -1.95 119.26 118.19 3mr8 h ALA 68 Ca 0.12 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 3mr8 h ALA 68 Cb 0.74 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3mr8 h ALA 68 CO 0.06 0.30 -1.19 0.00 0.00 0.00 0.00 179.25 178.41 3mr8 h ALA 69 N 1.71 0.17 -0.15 0.00 0.00 -0.89 -2.70 119.26 117.40 3mr8 h ALA 69 Ca 0.04 -0.90 0.04 0.00 0.00 0.00 0.00 54.91 54.08 3mr8 h ALA 69 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3mr8 h ALA 69 CO 0.02 1.05 -0.13 -0.22 0.00 0.00 0.00 179.25 179.97 3mr8 h LYS 70 N 0.05 -0.14 0.00 0.00 1.63 0.11 -0.83 116.57 117.39 3mr8 h LYS 70 Ca -0.11 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.58 3mr8 h LYS 70 Cb 1.92 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.57 3mr8 h LYS 70 CO 0.18 -0.09 -0.61 0.87 -3.45 0.00 0.00 179.45 176.35 3mr8 h LYS 71 N -0.15 0.00 -0.14 1.90 1.57 -1.54 -3.27 116.57 114.94 3mr8 h LYS 71 Ca 0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3mr8 h LYS 71 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3mr8 h LYS 71 CO -0.24 0.61 -0.03 0.00 -0.57 0.00 0.00 179.45 179.22 3mr8 h ALA 72 N 1.39 0.19 0.00 3.86 0.00 -1.10 -2.80 119.26 120.80 3mr8 h ALA 72 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3mr8 h ALA 72 Cb 1.40 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3mr8 h ALA 72 CO 0.08 -0.06 -0.01 0.52 0.00 0.00 0.00 179.25 179.78 3mr8 h MET 73 N -0.05 0.00 -0.52 0.00 2.86 -1.25 -0.79 114.93 115.19 3mr8 h MET 73 Ca 0.03 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3mr8 h MET 73 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3mr8 h MET 73 CO 0.01 0.01 0.17 0.00 1.06 0.00 0.00 176.91 178.16 3mr8 h ALA 74 N 1.99 0.67 0.00 6.32 0.00 -1.55 -0.87 119.26 125.83 3mr8 h ALA 74 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mr8 h ALA 74 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mr8 h ALA 74 CO 0.00 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.23 3mr8 n TYR 75 N -4.50 0.00 -3.38 0.00 4.02 -0.33 -4.82 117.16 108.15 3mr8 n TYR 75 Ca 0.02 -0.21 -0.16 0.00 -0.01 0.00 0.00 57.90 57.53 3mr8 n TYR 75 Cb 0.19 -0.16 0.09 0.00 -0.02 0.00 0.00 39.34 39.43 3mr8 n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mr8 n GLY 76 N 0.27 -0.44 3.87 2.72 0.00 -0.33 -2.66 105.19 108.61 3mr8 n GLY 76 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3mr8 n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3mr8 s MET 77 N -5.21 3.83 0.00 1.61 0.00 -1.02 -2.79 119.30 115.72 3mr8 s MET 77 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 55.69 56.06 3mr8 s MET 77 Cb -0.01 -2.68 0.00 0.00 0.00 0.00 0.00 34.83 32.14 3mr8 s MET 77 CO 0.72 0.34 0.00 1.04 0.00 0.00 0.00 175.02 177.11 3mr8 n GLN 78 N -0.00 0.00 -2.59 4.11 6.02 -0.36 -4.59 117.38 119.97 3mr8 n GLN 78 Ca -0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3mr8 n GLN 78 Cb 0.52 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.78 3mr8 n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3mr8 s SER 79 N 1.34 6.77 0.33 1.08 1.04 -0.58 -2.53 113.70 121.15 3mr8 s SER 79 Ca 0.00 -2.25 -0.21 0.00 0.48 0.00 0.00 55.95 53.97 3mr8 s SER 79 Cb 0.00 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 3mr8 s SER 79 CO 0.00 -1.23 0.85 0.68 0.98 0.00 0.00 173.24 174.53 3mr8 s VAL 80 N 4.28 4.44 -0.45 5.02 -7.23 -1.13 -1.96 120.40 123.36 3mr8 s VAL 80 Ca 0.52 1.43 -0.13 0.00 -1.81 0.00 0.00 61.98 61.99 3mr8 s VAL 80 Cb 0.03 -3.78 0.08 0.00 0.56 0.00 0.00 36.38 33.27 3mr8 s VAL 80 CO 0.04 -0.03 0.34 -1.81 -0.31 0.00 0.00 175.10 173.33 3mr8 s ASP 81 N -1.91 5.92 0.19 4.85 1.01 0.72 -1.48 116.67 125.97 3mr8 s ASP 81 Ca 0.52 -1.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.03 3mr8 s ASP 81 Cb -0.14 -2.10 -0.08 0.00 1.01 0.00 0.00 42.92 41.62 3mr8 s ASP 81 CO 0.19 -0.62 1.07 -0.69 0.21 0.00 0.00 175.17 175.33 3mr8 s VAL 82 N 1.54 3.93 -0.19 -1.27 1.01 -0.47 -0.59 120.40 124.36 3mr8 s VAL 82 Ca 0.04 1.71 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 3mr8 s VAL 82 Cb -0.24 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.13 3mr8 s VAL 82 CO 0.04 0.31 0.21 -0.63 0.00 0.00 0.00 175.10 175.04 3mr8 s ILE 83 N -0.39 -0.32 0.42 2.22 1.01 0.22 -0.41 121.20 123.94 3mr8 s ILE 83 Ca 0.48 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.09 3mr8 s ILE 83 Cb -0.28 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3mr8 s ILE 83 CO 0.35 -0.15 0.63 0.68 0.00 0.00 0.00 174.94 176.44 3mr8 s VAL 84 N 2.32 4.32 -0.06 2.92 -7.23 0.10 -1.51 120.40 121.26 3mr8 s VAL 84 Ca 0.06 -0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.56 3mr8 s VAL 84 Cb -0.15 -3.59 0.04 0.00 0.56 0.00 0.00 36.38 33.24 3mr8 s VAL 84 CO -0.11 -0.40 0.41 -0.13 -0.31 0.00 0.00 175.10 174.56 3mr8 s ARG 85 N -4.48 0.69 0.27 4.82 0.52 0.18 -0.90 118.95 120.05 3mr8 s ARG 85 Ca 0.46 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 3mr8 s ARG 85 Cb -0.10 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.69 3mr8 s ARG 85 CO 0.37 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.93 3mr8 n GLY 86 N 1.65 -3.78 3.39 -3.53 0.00 -1.26 -1.06 105.19 100.59 3mr8 n GLY 86 Ca -0.19 -0.95 -0.45 0.00 0.00 0.00 0.00 46.02 44.44 3mr8 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mr8 s THR 87 N -2.90 4.98 0.32 2.61 2.01 -1.25 -4.10 115.64 117.31 3mr8 s THR 87 Ca 0.00 -1.54 0.10 0.00 0.31 0.00 0.00 61.69 60.56 3mr8 s THR 87 Cb 0.00 -4.58 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 3mr8 s THR 87 CO 0.00 -1.23 -0.12 -0.83 -0.69 0.00 0.00 174.62 171.74 3mr8 s GLY 88 N 3.26 2.07 -0.53 4.40 0.00 -1.12 -4.85 107.32 110.54 3mr8 s GLY 88 Ca 0.20 -2.01 -0.06 0.00 0.00 0.00 0.00 44.72 42.85 3mr8 s GLY 88 CO -0.02 -2.00 2.92 0.00 0.00 0.00 0.00 173.10 174.00 3mr8 n ALA 89 N -0.72 5.88 -1.10 3.20 0.00 -1.25 -2.59 120.51 123.93 3mr8 n ALA 89 Ca -0.05 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.31 3mr8 n ALA 89 Cb 0.62 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3mr8 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mr8 n GLY 90 N 3.00 0.55 0.08 0.00 0.00 -1.26 -3.19 105.19 104.38 3mr8 n GLY 90 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 3mr8 n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mr8 h ARG 91 N 0.00 -0.13 -0.23 1.61 2.43 -1.87 -1.90 114.38 114.30 3mr8 h ARG 91 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3mr8 h ARG 91 Cb 0.41 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3mr8 h ARG 91 CO 0.00 -0.09 0.06 1.05 -1.51 0.00 0.00 179.97 179.48 3mr8 h GLU 92 N -0.14 0.31 -0.37 0.20 -0.00 -1.96 -2.73 114.58 109.90 3mr8 h GLU 92 Ca -0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 59.36 59.21 3mr8 h GLU 92 Cb 0.13 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 28.81 3mr8 h GLU 92 CO -0.04 0.29 -0.22 1.96 -0.00 0.00 0.00 179.01 181.01 3mr8 h GLN 93 N 0.32 0.72 -0.48 1.06 1.08 -1.86 0.33 115.11 116.28 3mr8 h GLN 93 Ca 0.08 -0.28 -0.09 0.00 -1.45 0.00 0.00 58.65 56.91 3mr8 h GLN 93 Cb 0.12 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3mr8 h GLN 93 CO -0.00 0.88 -0.06 0.00 -0.95 0.00 0.00 178.83 178.70 3mr8 h ALA 94 N 1.12 0.99 0.04 3.87 0.00 -1.05 -1.60 119.26 122.63 3mr8 h ALA 94 Ca 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mr8 h ALA 94 Cb 0.71 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3mr8 h ALA 94 CO 0.05 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.71 3mr8 h ILE 95 N 0.77 1.26 -0.60 0.00 2.04 -1.18 -2.85 117.51 116.96 3mr8 h ILE 95 Ca 0.14 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.02 3mr8 h ILE 95 Cb 0.55 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 3mr8 h ILE 95 CO 0.03 0.26 0.34 0.03 0.00 0.00 0.00 178.15 178.81 3mr8 h ARG 96 N -0.50 0.63 -0.29 2.37 2.47 -0.35 -1.60 114.38 117.10 3mr8 h ARG 96 Ca -0.01 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3mr8 h ARG 96 Cb 0.46 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 3mr8 h ARG 96 CO 0.01 0.42 0.20 0.00 0.56 0.00 0.00 179.97 181.15 3mr8 h ALA 97 N 1.29 1.88 -0.14 0.04 0.00 -1.31 -1.36 119.26 119.66 3mr8 h ALA 97 Ca 0.25 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3mr8 h ALA 97 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mr8 h ALA 97 CO -0.14 0.09 -0.47 -0.07 0.00 0.00 0.00 179.25 178.66 3mr8 h LEU 98 N 0.32 0.38 -0.19 0.00 3.38 -1.05 0.83 115.31 118.99 3mr8 h LEU 98 Ca 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3mr8 h LEU 98 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3mr8 h LEU 98 CO -0.03 0.80 0.03 1.56 0.09 0.00 0.00 178.44 180.89 3mr8 h GLN 99 N 0.29 0.31 0.00 1.13 1.08 -0.94 -3.07 115.11 113.91 3mr8 h GLN 99 Ca 0.02 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 3mr8 h GLN 99 Cb 0.94 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 3mr8 h GLN 99 CO 0.08 0.48 -0.37 0.00 -0.95 0.00 0.00 178.83 178.06 3mr8 h ALA 100 N 0.82 0.88 0.00 3.87 0.00 -1.38 -3.19 119.26 120.27 3mr8 h ALA 100 Ca 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3mr8 h ALA 100 Cb 0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3mr8 h ALA 100 CO 0.00 0.47 -0.12 0.66 0.00 0.00 0.00 179.25 180.27 3mr8 h SER 101 N 0.00 0.00 0.00 0.00 4.64 -0.73 -3.46 113.55 114.00 3mr8 h SER 101 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mr8 h SER 101 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3mr8 h SER 101 CO 0.05 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 3mr8 n GLY 102 N -1.14 0.72 2.91 -0.77 0.00 -1.20 -5.05 105.19 100.65 3mr8 n GLY 102 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3mr8 n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr8 s LEU 103 N 0.00 1.22 -0.72 0.99 2.01 -1.23 -4.98 118.68 115.98 3mr8 s LEU 103 Ca 0.00 -0.21 -0.26 0.00 0.01 0.00 0.00 54.13 53.67 3mr8 s LEU 103 Cb 0.00 -0.66 -0.05 0.00 0.01 0.00 0.00 46.19 45.50 3mr8 s LEU 103 CO 0.00 -0.08 2.01 -1.58 1.01 0.00 0.00 176.35 177.71 3mr8 s GLN 104 N 1.29 2.43 -0.59 1.70 0.74 -1.05 -4.71 119.66 119.48 3mr8 s GLN 104 Ca -0.04 0.37 -0.26 0.00 0.05 0.00 0.00 55.36 55.48 3mr8 s GLN 104 Cb -0.14 -4.69 -0.04 0.00 1.10 0.00 0.00 33.01 29.24 3mr8 s GLN 104 CO -0.03 -3.20 2.07 0.14 -0.55 0.00 0.00 175.29 173.72 3mr8 s VAL 105 N 10.39 3.23 0.41 1.34 -7.23 -1.26 -2.84 120.40 124.44 3mr8 s VAL 105 Ca 0.74 0.10 0.18 0.00 -1.81 0.00 0.00 61.98 61.19 3mr8 s VAL 105 Cb -0.11 -3.59 0.39 0.00 0.56 0.00 0.00 36.38 33.62 3mr8 s VAL 105 CO 0.12 -0.57 1.81 0.50 -0.31 0.00 0.00 175.10 176.65 3mr8 h LYS 106 N 16.41 0.40 -1.29 4.82 3.64 -1.53 -3.45 116.57 135.57 3mr8 h LYS 106 Ca -0.23 -0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.41 3mr8 h LYS 106 Cb 1.19 -0.09 -0.20 0.00 -0.41 0.00 0.00 32.23 32.72 3mr8 h LYS 106 CO 1.19 0.27 0.88 -1.54 -2.27 0.00 0.00 179.45 177.98 3mr8 s SER 107 N -5.45 -0.08 -0.22 4.20 1.04 -1.26 -5.05 113.70 106.88 3mr8 s SER 107 Ca -0.08 0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.37 3mr8 s SER 107 Cb 0.24 0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.48 3mr8 s SER 107 CO 0.79 -0.14 -0.16 -0.63 0.98 0.00 0.00 173.24 174.08 3mr8 s ILE 108 N -2.21 2.12 0.19 -1.02 1.01 -1.26 -1.37 121.20 118.66 3mr8 s ILE 108 Ca 0.10 -1.24 0.09 0.00 0.00 0.00 0.00 60.65 59.60 3mr8 s ILE 108 Cb -0.01 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3mr8 s ILE 108 CO -0.04 0.29 -0.06 -0.69 0.00 0.00 0.00 174.94 174.45 3mr8 s VAL 109 N 1.21 3.37 -0.12 2.92 1.01 0.45 -4.98 120.40 124.26 3mr8 s VAL 109 Ca -0.01 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.35 3mr8 s VAL 109 Cb -0.16 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.54 3mr8 s VAL 109 CO -0.09 -0.15 -0.15 -0.62 0.00 0.00 0.00 175.10 174.09 3mr8 s ASP 110 N -2.99 2.51 -0.30 3.32 2.15 -1.26 0.02 116.67 120.12 3mr8 s ASP 110 Ca 0.27 -0.44 0.15 0.00 0.43 0.00 0.00 52.55 52.95 3mr8 s ASP 110 Cb -0.09 -1.11 0.48 0.00 -0.30 0.00 0.00 42.92 41.90 3mr8 s ASP 110 CO 0.17 -0.01 1.12 -0.67 -0.17 0.00 0.00 175.17 175.61 3mr8 n ASP 111 N 4.38 3.01 -4.68 -0.34 4.64 -0.08 -4.95 116.55 118.54 3mr8 n ASP 111 Ca -0.18 -2.87 -0.47 0.00 -1.38 0.00 0.00 54.79 49.89 3mr8 n ASP 111 Cb 0.51 -0.44 -0.04 0.00 -1.04 0.00 0.00 41.12 40.11 3mr8 n ASP 111 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 3mr8 n THR 112 N -0.56 0.56 -1.73 5.18 -1.04 -1.25 -4.78 114.28 110.66 3mr8 n THR 112 Ca 0.23 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.72 3mr8 n THR 112 Cb 0.85 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.38 3mr8 n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3mr8 s PRO 113 N 3.84 4.15 -0.15 -2.82 0.04 -1.26 -4.88 135.00 133.91 3mr8 s PRO 113 Ca 0.90 2.55 -0.04 0.00 0.04 0.00 0.00 61.00 64.46 3mr8 s PRO 113 Cb -0.63 -3.91 0.05 0.00 0.04 0.00 0.00 34.50 30.05 3mr8 s PRO 113 CO 0.48 -0.89 0.07 0.54 0.04 0.00 0.00 177.00 177.24 3mr8 s VAL 114 N 3.69 0.07 0.40 -0.36 0.11 -1.26 -4.99 120.40 118.06 3mr8 s VAL 114 Ca 0.84 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.51 3mr8 s VAL 114 Cb -0.43 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 33.72 3mr8 s VAL 114 CO 0.38 -0.16 1.02 -2.16 -3.33 0.00 0.00 175.10 170.85 3mr8 s PRO 115 N 2.07 4.20 -0.01 1.54 0.04 -1.26 -4.93 135.00 136.66 3mr8 s PRO 115 Ca 0.02 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 3mr8 s PRO 115 Cb -0.15 -2.49 -0.14 0.00 0.04 0.00 0.00 34.50 31.76 3mr8 s PRO 115 CO -0.08 -0.09 2.85 0.72 0.04 0.00 0.00 177.00 180.44 3mr8 n HIS 116 N -0.14 0.03 -2.68 0.56 8.25 -1.26 -4.73 115.22 115.25 3mr8 n HIS 116 Ca 0.05 -1.28 -0.04 0.00 -0.26 0.00 0.00 57.72 56.20 3mr8 n HIS 116 Cb 0.51 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.54 3mr8 n HIS 116 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3mr8 n ASN 117 N 2.00 -7.50 0.08 0.41 4.05 -1.26 -5.04 115.26 108.00 3mr8 n ASN 117 Ca 0.23 0.89 0.00 0.00 0.45 0.00 0.00 54.58 56.15 3mr8 n ASN 117 Cb 0.72 -5.02 0.00 0.00 1.23 0.00 0.00 39.78 36.71 3mr8 n ASN 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3mr8 n GLY 118 N 0.15 -0.21 3.79 8.20 0.00 -1.26 -5.09 105.19 110.76 3mr8 n GLY 118 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3mr8 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mr8 s ARG 120 N -1.34 3.43 1.32 0.00 3.52 -1.26 -5.05 118.95 119.57 3mr8 s ARG 120 Ca 0.37 -0.08 -0.22 0.00 -0.13 0.00 0.00 55.73 55.67 3mr8 s ARG 120 Cb -0.21 -3.93 0.34 0.00 -1.56 0.00 0.00 34.95 29.58 3mr8 s ARG 120 CO 0.25 -1.10 0.91 -2.30 -0.81 0.00 0.00 175.30 172.25 3mr8 n PRO 121 N 6.70 -4.13 -0.78 5.12 -0.02 -1.26 -4.99 135.00 135.64 3mr8 n PRO 121 Ca 0.02 -1.50 -0.30 0.00 -2.02 0.00 0.00 63.50 59.71 3mr8 n PRO 121 Cb 0.48 -1.72 0.18 0.00 -0.02 0.00 0.00 33.50 32.43 3mr8 n PRO 121 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mr8 s LYS 122 N -5.13 0.52 0.49 -0.52 1.02 -1.26 -4.85 119.74 110.00 3mr8 s LYS 122 Ca 0.65 1.16 0.20 0.00 0.02 0.00 0.00 55.97 58.01 3mr8 s LYS 122 Cb -0.09 -1.70 1.23 0.00 -0.52 0.00 0.00 37.83 36.75 3mr8 s LYS 122 CO 0.53 -2.85 2.05 -0.22 -0.92 0.00 0.00 175.35 173.94 3mr8 h LYS 123 N -2.01 0.00 0.12 1.68 3.11 -1.95 -2.22 116.57 115.30 3mr8 h LYS 123 Ca -0.50 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.33 3mr8 h LYS 123 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 3mr8 h LYS 123 CO 0.47 0.14 -0.06 -0.22 -2.81 0.00 0.00 179.45 176.98 3mr8 h LYS 124 N 0.00 -0.15 0.00 1.90 3.11 -2.04 -2.95 116.57 116.45 3mr8 h LYS 124 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 3mr8 h LYS 124 Cb 0.29 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 3mr8 h LYS 124 CO 0.02 0.34 0.00 1.19 -2.81 0.00 0.00 179.45 178.19 3mr8 n PHE 125 N -4.88 0.00 -2.19 1.91 3.01 -1.19 -4.63 117.46 109.49 3mr8 n PHE 125 Ca -0.08 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.05 3mr8 n PHE 125 Cb 0.28 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 3mr8 n PHE 125 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3mr8 s ARG 126 N -2.20 2.83 -0.03 -1.08 3.52 -0.84 -4.56 118.95 116.59 3mr8 s ARG 126 Ca 0.18 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 3mr8 s ARG 126 Cb 0.09 -4.88 -0.03 0.00 -1.56 0.00 0.00 34.95 28.57 3mr8 s ARG 126 CO 0.18 -2.89 0.00 1.63 -0.81 0.00 0.00 175.30 173.41 3mr8 n LYS 127 N 8.99 2.74 -1.76 5.12 4.76 -1.26 -5.02 118.16 131.72 3mr8 n LYS 127 Ca 0.31 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.33 3mr8 n LYS 127 Cb 0.49 -1.07 -0.03 0.00 -1.84 0.00 0.00 35.03 32.58 3mr8 n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mr8 s ALA 128 N -2.07 3.86 0.00 7.82 0.00 -1.26 -5.27 121.76 124.83 3mr8 s ALA 128 Ca -0.02 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3mr8 s ALA 128 Cb 0.01 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3mr8 s ALA 128 CO 0.11 -1.00 0.00 0.45 0.00 0.00 0.00 175.76 175.33