#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mg5 h ILE 17 N 0.00 1.32 -2.01 -0.61 2.04 -1.97 -3.44 117.51 112.84 3mg5 h ILE 17 Ca 0.00 -1.66 -0.63 0.00 1.00 0.00 0.00 64.86 63.57 3mg5 h ILE 17 Cb 0.00 1.85 0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3mg5 h ILE 17 CO 0.00 0.52 0.81 0.41 0.00 0.00 0.00 178.15 179.89 3mg5 n THR 18 N -4.20 0.18 -3.10 -0.27 -1.04 -1.26 -4.82 114.28 99.77 3mg5 n THR 18 Ca -0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3mg5 n THR 18 Cb 0.56 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 3mg5 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mg5 n GLY 19 N 3.56 -0.91 3.43 3.41 0.00 -0.49 -4.99 105.19 109.21 3mg5 n GLY 19 Ca 0.20 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3mg5 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mg5 s THR 20 N -2.77 4.02 0.21 2.61 2.01 -1.26 -1.48 115.64 118.98 3mg5 s THR 20 Ca 0.00 -0.28 0.11 0.00 0.31 0.00 0.00 61.69 61.83 3mg5 s THR 20 Cb 0.00 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 3mg5 s THR 20 CO 0.00 0.40 -0.23 0.26 -0.69 0.00 0.00 174.62 174.36 3mg5 s TRP 21 N 1.26 2.32 -0.02 4.92 0.52 0.55 -4.50 118.94 123.99 3mg5 s TRP 21 Ca 0.04 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.84 3mg5 s TRP 21 Cb -0.15 -1.13 -0.00 0.00 -1.15 0.00 0.00 33.47 31.05 3mg5 s TRP 21 CO 0.02 0.53 -0.11 0.71 0.02 0.00 0.00 176.95 178.12 3mg5 s TYR 22 N -1.79 1.07 0.53 -1.98 2.02 0.35 -0.64 117.35 116.91 3mg5 s TYR 22 Ca 0.22 -0.25 0.05 0.00 -0.37 0.00 0.00 57.07 56.73 3mg5 s TYR 22 Cb -0.08 -0.73 0.09 0.00 -0.40 0.00 0.00 41.96 40.85 3mg5 s TYR 22 CO 0.11 -0.08 0.73 0.27 -1.57 0.00 0.00 175.55 175.01 3mg5 n ASN 23 N 3.09 1.57 0.15 2.29 0.23 -0.70 -1.60 115.26 120.28 3mg5 n ASN 23 Ca -0.16 -2.19 0.12 0.00 -0.53 0.00 0.00 54.58 51.82 3mg5 n ASN 23 Cb 0.55 -0.42 0.54 0.00 -2.08 0.00 0.00 39.78 38.37 3mg5 n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3mg5 h GLN 24 N 0.00 0.00 -0.00 -3.83 -0.00 -1.88 -1.65 115.11 107.75 3mg5 h GLN 24 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 3mg5 h GLN 24 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.52 3mg5 h GLN 24 CO 0.32 0.00 -0.59 1.28 -0.00 0.00 0.00 178.83 179.84 3mg5 n LEU 25 N -2.34 0.77 0.00 0.06 4.77 -1.26 -4.95 117.00 114.05 3mg5 n LEU 25 Ca 0.01 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3mg5 n LEU 25 Cb 0.21 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3mg5 n LEU 25 CO 0.19 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3mg5 n GLY 26 N 1.47 0.66 3.78 -0.72 0.00 -0.62 -4.73 105.19 105.04 3mg5 n GLY 26 Ca 0.06 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3mg5 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mg5 s SER 27 N -2.13 5.22 -0.16 1.61 0.01 -1.26 -4.61 113.70 112.39 3mg5 s SER 27 Ca 0.00 1.87 0.01 0.00 1.31 0.00 0.00 55.95 59.15 3mg5 s SER 27 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.70 3mg5 s SER 27 CO 0.00 -1.55 -0.19 -0.89 0.41 0.00 0.00 173.24 171.02 3mg5 s THR 28 N -2.55 2.29 -0.31 1.44 2.01 -0.15 -1.73 115.64 116.64 3mg5 s THR 28 Ca 0.64 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.75 3mg5 s THR 28 Cb -0.18 -1.95 0.07 0.00 0.01 0.00 0.00 72.50 70.45 3mg5 s THR 28 CO 0.44 0.53 0.01 0.12 -0.69 0.00 0.00 174.62 175.04 3mg5 s PHE 29 N 0.96 3.40 -0.31 4.92 5.36 0.19 -1.05 117.98 131.46 3mg5 s PHE 29 Ca -0.03 -2.26 -0.08 0.00 -0.96 0.00 0.00 56.93 53.61 3mg5 s PHE 29 Cb -0.15 -2.38 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 3mg5 s PHE 29 CO -0.04 -0.87 0.10 0.42 -1.46 0.00 0.00 175.22 173.37 3mg5 s ILE 30 N 1.14 4.10 0.03 3.12 1.01 -0.29 -0.33 121.20 129.98 3mg5 s ILE 30 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3mg5 s ILE 30 Cb -0.20 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 3mg5 s ILE 30 CO -0.04 0.04 -0.07 0.54 0.00 0.00 0.00 174.94 175.41 3mg5 s VAL 31 N 1.52 0.51 -0.11 2.92 0.11 -0.55 -1.04 120.40 123.76 3mg5 s VAL 31 Ca 0.03 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.31 3mg5 s VAL 31 Cb -0.17 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 3mg5 s VAL 31 CO 0.03 -0.21 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.51 3mg5 s THR 32 N -0.95 1.83 -0.40 5.04 2.01 0.27 -1.39 115.64 122.04 3mg5 s THR 32 Ca -0.06 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 3mg5 s THR 32 Cb -0.07 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.83 3mg5 s THR 32 CO 0.00 0.51 0.46 0.00 -0.69 0.00 0.00 174.62 174.89 3mg5 s ALA 33 N 0.72 3.43 0.64 7.40 0.00 -1.26 -1.91 121.76 130.78 3mg5 s ALA 33 Ca -0.11 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.36 3mg5 s ALA 33 Cb -0.16 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3mg5 s ALA 33 CO 0.02 -1.49 1.04 0.20 0.00 0.00 0.00 175.76 175.52 3mg5 s GLY 34 N 1.81 1.66 0.59 0.00 0.00 0.71 -4.87 107.32 107.23 3mg5 s GLY 34 Ca 0.14 -0.10 0.37 0.00 0.00 0.00 0.00 44.72 45.13 3mg5 s GLY 34 CO 0.14 0.19 2.15 0.00 0.00 0.00 0.00 173.10 175.57 3mg5 h ALA 35 N -0.41 1.03 -0.16 3.20 0.00 -1.98 -2.77 119.26 118.17 3mg5 h ALA 35 Ca -0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3mg5 h ALA 35 Cb 1.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3mg5 h ALA 35 CO 0.62 0.02 -0.10 -3.47 0.00 0.00 0.00 179.25 176.32 3mg5 n ASP 36 N -3.14 2.72 0.00 0.00 2.03 -1.26 -4.93 116.55 111.97 3mg5 n ASP 36 Ca -0.01 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.94 3mg5 n ASP 36 Cb 0.21 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 3mg5 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mg5 n GLY 37 N -1.05 0.79 3.75 0.27 0.00 -1.05 -4.92 105.19 102.98 3mg5 n GLY 37 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3mg5 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mg5 s ALA 38 N -2.00 3.33 -0.12 4.61 0.00 -1.26 -1.06 121.76 125.27 3mg5 s ALA 38 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3mg5 s ALA 38 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3mg5 s ALA 38 CO 0.00 0.18 -0.13 -0.51 0.00 0.00 0.00 175.76 175.30 3mg5 s LEU 39 N -1.02 2.74 0.03 0.00 1.43 -0.00 -0.21 118.68 121.65 3mg5 s LEU 39 Ca 0.42 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 3mg5 s LEU 39 Cb -0.26 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3mg5 s LEU 39 CO 0.32 0.19 -0.04 0.42 0.23 0.00 0.00 176.35 177.47 3mg5 s THR 40 N 0.19 0.24 -4.25 5.49 -4.23 -0.80 -1.34 115.64 110.94 3mg5 s THR 40 Ca -0.08 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3mg5 s THR 40 Cb -0.15 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.18 3mg5 s THR 40 CO 0.05 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 3mg5 n GLY 41 N 1.37 -0.33 3.06 3.99 0.00 -1.15 -0.57 105.19 111.57 3mg5 n GLY 41 Ca -0.22 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 3mg5 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mg5 s THR 42 N -4.00 0.53 -0.02 2.61 -4.23 -0.20 -1.76 115.64 108.56 3mg5 s THR 42 Ca 0.00 -1.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3mg5 s THR 42 Cb 0.00 -0.66 -0.01 0.00 1.34 0.00 0.00 72.50 73.18 3mg5 s THR 42 CO 0.00 -0.42 -0.16 -0.47 -0.54 0.00 0.00 174.62 173.04 3mg5 s TYR 43 N -1.52 1.46 -0.14 3.99 5.04 0.20 -1.14 117.35 125.24 3mg5 s TYR 43 Ca -0.09 -0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.21 3mg5 s TYR 43 Cb -0.09 -0.96 0.03 0.00 0.35 0.00 0.00 41.96 41.29 3mg5 s TYR 43 CO 0.00 -0.07 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.07 3mg5 s GLU 44 N -0.21 1.54 0.02 4.97 2.12 -0.21 -0.39 118.70 126.54 3mg5 s GLU 44 Ca 0.03 -0.38 -0.20 0.00 0.36 0.00 0.00 54.97 54.77 3mg5 s GLU 44 Cb -0.08 -1.79 -0.06 0.00 0.26 0.00 0.00 34.13 32.46 3mg5 s GLU 44 CO 0.00 -0.33 0.59 0.45 -0.54 0.00 0.00 175.26 175.43 3mg5 s SER 45 N 1.66 7.01 0.14 -1.70 0.15 -1.26 -0.98 113.70 118.72 3mg5 s SER 45 Ca 0.03 1.20 0.24 0.00 0.70 0.00 0.00 55.95 58.12 3mg5 s SER 45 Cb -0.14 -2.36 0.91 0.00 -1.71 0.00 0.00 66.02 62.72 3mg5 s SER 45 CO -0.08 0.16 1.73 0.00 1.20 0.00 0.00 173.24 176.25 3mg5 n ALA 46 N 2.39 1.99 -2.24 5.45 0.00 -1.26 -4.80 120.51 122.05 3mg5 n ALA 46 Ca -0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 3mg5 n ALA 46 Cb 0.51 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 3mg5 n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mg5 s VAL 47 N -3.13 0.40 0.00 0.00 -7.23 -1.26 -5.02 120.40 104.17 3mg5 s VAL 47 Ca 0.09 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 3mg5 s VAL 47 Cb 0.12 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3mg5 s VAL 47 CO 0.46 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 3mg5 n GLY 48 N -0.28 -1.89 2.73 2.32 0.00 -1.26 -4.48 105.19 102.34 3mg5 n GLY 48 Ca -0.03 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3mg5 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mg5 n ASN 49 N 0.59 5.12 -3.64 1.61 5.15 -1.26 -4.83 115.26 117.99 3mg5 n ASN 49 Ca 0.00 -2.96 -0.15 0.00 -0.60 0.00 0.00 54.58 50.87 3mg5 n ASN 49 Cb 0.00 -1.55 -0.08 0.00 -0.53 0.00 0.00 39.78 37.62 3mg5 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mg5 s ALA 50 N 1.54 -1.44 -0.08 5.20 0.00 -1.26 -4.49 121.76 121.23 3mg5 s ALA 50 Ca 0.46 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.67 3mg5 s ALA 50 Cb 0.13 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.73 3mg5 s ALA 50 CO -0.05 -0.30 0.31 -1.83 0.00 0.00 0.00 175.76 173.89 3mg5 s GLU 51 N -0.34 0.47 3.51 0.00 -1.05 -1.26 -4.91 118.70 115.12 3mg5 s GLU 51 Ca -0.05 0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.98 3mg5 s GLU 51 Cb -0.03 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 3mg5 s GLU 51 CO 0.04 -0.09 0.00 0.45 0.95 0.00 0.00 175.26 176.61 3mg5 n SER 52 N 2.35 -1.41 -4.88 0.83 2.88 -1.26 -4.84 113.62 107.28 3mg5 n SER 52 Ca -0.16 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.05 3mg5 n SER 52 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 3mg5 n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mg5 s ARG 53 N 0.00 3.72 0.06 -1.46 0.52 -1.26 -4.35 118.95 116.19 3mg5 s ARG 53 Ca 0.00 0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.38 3mg5 s ARG 53 Cb 0.00 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 3mg5 s ARG 53 CO 0.00 0.49 -0.17 0.71 0.02 0.00 0.00 175.30 176.35 3mg5 s TYR 54 N -1.55 1.49 0.29 -0.53 2.02 0.47 -4.87 117.35 114.68 3mg5 s TYR 54 Ca 0.38 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.39 3mg5 s TYR 54 Cb -0.13 -0.86 -0.10 0.00 -0.40 0.00 0.00 41.96 40.47 3mg5 s TYR 54 CO 0.21 0.10 1.32 0.08 -1.57 0.00 0.00 175.55 175.68 3mg5 s VAL 55 N -1.02 2.84 0.16 0.71 1.01 -1.26 -0.63 120.40 122.21 3mg5 s VAL 55 Ca 0.03 0.79 0.08 0.00 0.00 0.00 0.00 61.98 62.88 3mg5 s VAL 55 Cb -0.09 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3mg5 s VAL 55 CO 0.02 0.16 -0.18 -1.48 0.00 0.00 0.00 175.10 173.63 3mg5 s LEU 56 N -1.23 2.43 0.03 3.92 0.05 -0.72 -4.36 118.68 118.80 3mg5 s LEU 56 Ca 0.52 -0.86 -0.05 0.00 0.05 0.00 0.00 54.13 53.80 3mg5 s LEU 56 Cb -0.39 -0.83 -0.01 0.00 -2.05 0.00 0.00 46.19 42.91 3mg5 s LEU 56 CO 0.48 -0.03 0.07 0.42 -0.55 0.00 0.00 176.35 176.74 3mg5 s THR 57 N -2.03 0.13 0.00 5.48 -4.23 -1.09 -2.95 115.64 110.96 3mg5 s THR 57 Ca 0.15 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 3mg5 s THR 57 Cb -0.06 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.99 3mg5 s THR 57 CO 0.06 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 3mg5 n GLY 58 N 0.93 1.42 3.10 3.99 0.00 -0.45 -1.12 105.19 113.06 3mg5 n GLY 58 Ca -0.20 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3mg5 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg5 s ARG 59 N -0.31 0.56 0.08 1.61 1.81 -0.32 -0.82 118.95 121.56 3mg5 s ARG 59 Ca 0.00 -0.80 -0.07 0.00 -1.72 0.00 0.00 55.73 53.14 3mg5 s ARG 59 Cb 0.00 0.21 -0.01 0.00 -0.45 0.00 0.00 34.95 34.70 3mg5 s ARG 59 CO 0.00 -0.13 0.14 1.52 -0.68 0.00 0.00 175.30 176.15 3mg5 s TYR 60 N -2.65 0.23 -0.48 -0.53 -0.85 -0.22 -1.29 117.35 111.56 3mg5 s TYR 60 Ca -0.05 -0.68 -0.28 0.00 -0.52 0.00 0.00 57.07 55.54 3mg5 s TYR 60 Cb -0.01 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.21 3mg5 s TYR 60 CO -0.05 -0.50 1.42 0.34 -1.52 0.00 0.00 175.55 175.24 3mg5 s ASP 61 N -2.84 6.23 0.00 -0.18 2.15 -0.53 -4.47 116.67 117.02 3mg5 s ASP 61 Ca 0.05 0.57 0.24 0.00 0.43 0.00 0.00 52.55 53.84 3mg5 s ASP 61 Cb 0.05 -2.54 1.33 0.00 -0.30 0.00 0.00 42.92 41.46 3mg5 s ASP 61 CO -0.11 -1.57 1.87 -1.54 -0.17 0.00 0.00 175.17 173.65 3mg5 n SER 62 N 9.23 0.38 -3.17 -0.34 3.41 -1.26 -3.96 113.62 117.91 3mg5 n SER 62 Ca 0.15 -1.32 -0.22 0.00 -0.26 0.00 0.00 58.87 57.22 3mg5 n SER 62 Cb 0.49 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 3mg5 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mg5 n ALA 63 N -0.61 2.15 -0.98 7.33 0.00 -1.26 -5.01 120.51 122.13 3mg5 n ALA 63 Ca 0.18 -3.32 -0.29 0.00 0.00 0.00 0.00 53.44 50.01 3mg5 n ALA 63 Cb 0.15 -0.87 0.18 0.00 0.00 0.00 0.00 19.45 18.91 3mg5 n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mg5 s PRO 64 N -1.47 0.53 0.81 0.00 0.04 -1.25 -4.99 135.00 128.65 3mg5 s PRO 64 Ca 0.36 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 3mg5 s PRO 64 Cb 0.23 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 33.13 3mg5 s PRO 64 CO -0.10 -2.75 1.14 0.00 0.04 0.00 0.00 177.00 175.32 3mg5 s ALA 65 N -2.79 1.96 -0.18 8.56 0.00 -1.26 -4.96 121.76 123.08 3mg5 s ALA 65 Ca 0.65 0.53 0.16 0.00 0.00 0.00 0.00 51.96 53.31 3mg5 s ALA 65 Cb -0.20 -3.38 0.49 0.00 0.00 0.00 0.00 23.12 20.03 3mg5 s ALA 65 CO 0.59 -2.12 1.39 0.25 0.00 0.00 0.00 175.76 175.87 3mg5 n THR 66 N -3.54 2.26 -0.64 0.00 -2.24 -1.26 -4.65 114.28 104.21 3mg5 n THR 66 Ca 0.11 -2.03 0.09 0.00 -2.27 0.00 0.00 64.05 59.95 3mg5 n THR 66 Cb 0.52 -0.26 0.35 0.00 -2.10 0.00 0.00 70.33 68.83 3mg5 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mg5 n ASP 67 N -0.71 4.69 0.00 3.42 5.68 -1.26 -4.90 116.55 123.47 3mg5 n ASP 67 Ca 0.22 -2.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 3mg5 n ASP 67 Cb 0.87 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3mg5 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mg5 n GLY 68 N 0.97 0.49 3.78 6.12 0.00 -1.26 -5.08 105.19 110.20 3mg5 n GLY 68 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 3mg5 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mg5 s SER 69 N -1.90 5.57 1.05 1.61 0.01 -1.26 -5.02 113.70 113.76 3mg5 s SER 69 Ca 0.00 2.10 -0.14 0.00 1.31 0.00 0.00 55.95 59.22 3mg5 s SER 69 Cb 0.00 -2.57 0.21 0.00 0.21 0.00 0.00 66.02 63.87 3mg5 s SER 69 CO 0.00 -1.32 1.11 -0.83 0.41 0.00 0.00 173.24 172.61 3mg5 s GLY 70 N -2.06 1.57 -0.34 3.44 0.00 -1.26 -4.80 107.32 103.87 3mg5 s GLY 70 Ca 0.70 -0.58 -0.12 0.00 0.00 0.00 0.00 44.72 44.73 3mg5 s GLY 70 CO 0.31 0.11 0.21 -1.59 0.00 0.00 0.00 173.10 172.14 3mg5 s THR 71 N -3.05 4.93 0.36 0.90 2.01 -0.10 -4.74 115.64 115.95 3mg5 s THR 71 Ca 0.67 -0.42 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 3mg5 s THR 71 Cb -0.15 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 3mg5 s THR 71 CO 0.56 -0.04 1.22 0.00 -0.69 0.00 0.00 174.62 175.68 3mg5 s ALA 72 N 1.65 3.31 0.18 7.40 0.00 -1.26 -0.79 121.76 132.26 3mg5 s ALA 72 Ca 0.05 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.89 3mg5 s ALA 72 Cb -0.18 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.57 3mg5 s ALA 72 CO 0.08 -0.56 0.58 -0.48 0.00 0.00 0.00 175.76 175.39 3mg5 s LEU 73 N -2.11 -0.30 0.10 0.00 2.34 -0.40 -1.45 118.68 116.85 3mg5 s LEU 73 Ca 0.53 -0.21 -0.23 0.00 0.06 0.00 0.00 54.13 54.27 3mg5 s LEU 73 Cb -0.35 2.45 0.06 0.00 -0.56 0.00 0.00 46.19 47.79 3mg5 s LEU 73 CO 0.45 -1.03 0.57 -0.83 -1.06 0.00 0.00 176.35 174.45 3mg5 s GLY 74 N -2.80 -0.53 0.21 -3.48 0.00 -0.41 -1.06 107.32 99.25 3mg5 s GLY 74 Ca 0.04 0.58 -0.13 0.00 0.00 0.00 0.00 44.72 45.22 3mg5 s GLY 74 CO -0.08 0.27 0.44 0.66 0.00 0.00 0.00 173.10 174.38 3mg5 s TRP 75 N -3.04 0.26 0.01 1.90 -2.14 -0.53 -1.17 118.94 114.22 3mg5 s TRP 75 Ca -0.02 -0.62 0.05 0.00 2.66 0.00 0.00 56.10 58.17 3mg5 s TRP 75 Cb -0.00 0.17 -0.02 0.00 -3.10 0.00 0.00 33.47 30.52 3mg5 s TRP 75 CO -0.07 -0.90 -0.14 0.99 -2.66 0.00 0.00 176.95 174.17 3mg5 s THR 76 N -3.97 1.10 -0.11 0.66 2.01 -0.27 -0.94 115.64 114.12 3mg5 s THR 76 Ca 0.18 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.43 3mg5 s THR 76 Cb 0.00 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.57 3mg5 s THR 76 CO 0.04 0.17 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.26 3mg5 s VAL 77 N -0.56 1.81 -0.18 3.82 1.01 -0.19 -2.68 120.40 123.43 3mg5 s VAL 77 Ca 0.04 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 3mg5 s VAL 77 Cb -0.06 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3mg5 s VAL 77 CO 0.00 0.50 0.45 0.00 0.00 0.00 0.00 175.10 176.06 3mg5 s ALA 78 N 0.74 3.53 -0.44 5.51 0.00 -1.26 -0.85 121.76 128.99 3mg5 s ALA 78 Ca -0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 3mg5 s ALA 78 Cb -0.16 -2.68 -0.17 0.00 0.00 0.00 0.00 23.12 20.10 3mg5 s ALA 78 CO 0.01 -0.25 3.33 0.91 0.00 0.00 0.00 175.76 179.76 3mg5 n TRP 79 N 4.32 0.81 -4.69 0.00 7.02 -0.21 -4.76 117.44 119.93 3mg5 n TRP 79 Ca -0.07 -1.93 -0.29 0.00 -1.02 0.00 0.00 57.50 54.19 3mg5 n TRP 79 Cb 0.51 -1.76 -0.17 0.00 -2.42 0.00 0.00 31.31 27.47 3mg5 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 3mg5 s LYS 80 N 0.77 2.40 0.00 -0.99 2.20 -1.26 -1.08 119.74 121.79 3mg5 s LYS 80 Ca 0.66 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 3mg5 s LYS 80 Cb 0.29 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.67 3mg5 s LYS 80 CO -0.05 0.02 0.00 0.27 -0.36 0.00 0.00 175.35 175.23 3mg5 n ASN 81 N 3.94 0.00 0.02 1.43 0.23 -0.27 -4.77 115.26 115.84 3mg5 n ASN 81 Ca -0.20 -0.88 0.07 0.00 -0.53 0.00 0.00 54.58 53.04 3mg5 n ASN 81 Cb 0.52 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.54 3mg5 n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3mg5 n ASN 82 N -2.35 0.12 -0.09 0.53 3.02 -1.26 -3.52 115.26 111.69 3mg5 n ASN 82 Ca 0.00 0.53 -0.11 0.00 -0.03 0.00 0.00 54.58 54.97 3mg5 n ASN 82 Cb 0.00 -0.55 -0.11 0.00 -0.61 0.00 0.00 39.78 38.50 3mg5 n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3mg5 n TYR 83 N -1.63 0.00 -3.67 3.10 4.01 -1.26 -5.06 117.16 112.65 3mg5 n TYR 83 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.68 3mg5 n TYR 83 Cb 0.17 -0.81 -0.02 0.00 -0.31 0.00 0.00 39.34 38.37 3mg5 n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3mg5 s ARG 84 N -2.41 1.55 -0.17 -0.72 1.70 -1.23 -5.08 118.95 112.59 3mg5 s ARG 84 Ca -0.18 -0.75 -0.04 0.00 -0.47 0.00 0.00 55.73 54.28 3mg5 s ARG 84 Cb 0.06 0.59 0.06 0.00 -0.57 0.00 0.00 34.95 35.09 3mg5 s ARG 84 CO 0.57 -0.70 0.07 1.21 -1.08 0.00 0.00 175.30 175.38 3mg5 s ASN 85 N -2.84 2.38 0.00 -2.89 3.84 -1.26 -1.12 114.94 113.05 3mg5 s ASN 85 Ca 0.07 -0.60 0.29 0.00 0.21 0.00 0.00 52.86 52.82 3mg5 s ASN 85 Cb -0.04 -0.32 1.19 0.00 -0.55 0.00 0.00 41.25 41.53 3mg5 s ASN 85 CO -0.02 -0.33 1.85 0.00 -2.79 0.00 0.00 177.10 175.81 3mg5 n ALA 86 N 5.22 2.74 -3.66 1.71 0.00 -0.24 -4.95 120.51 121.34 3mg5 n ALA 86 Ca -0.07 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 3mg5 n ALA 86 Cb 0.49 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.62 3mg5 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mg5 n HIS 87 N -1.13 -1.96 -3.80 0.00 -0.00 -1.26 -4.85 115.22 102.21 3mg5 n HIS 87 Ca 0.12 0.75 -0.09 0.00 -0.00 0.00 0.00 57.72 58.50 3mg5 n HIS 87 Cb 0.29 -4.10 -0.04 0.00 -0.00 0.00 0.00 29.99 26.14 3mg5 n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3mg5 s SER 88 N -4.04 -0.21 -0.09 0.41 1.04 -1.26 -0.94 113.70 108.60 3mg5 s SER 88 Ca 0.17 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.90 3mg5 s SER 88 Cb -0.05 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3mg5 s SER 88 CO 0.82 -1.08 0.30 0.00 0.98 0.00 0.00 173.24 174.26 3mg5 s ALA 89 N -3.91 -0.75 -0.03 5.32 0.00 -0.05 -1.04 121.76 121.31 3mg5 s ALA 89 Ca 0.12 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.87 3mg5 s ALA 89 Cb -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3mg5 s ALA 89 CO 0.00 -0.17 -0.19 0.99 0.00 0.00 0.00 175.76 176.39 3mg5 s THR 90 N -0.17 2.62 -0.03 0.00 2.01 -0.03 -0.76 115.64 119.28 3mg5 s THR 90 Ca -0.03 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.12 3mg5 s THR 90 Cb -0.03 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 3mg5 s THR 90 CO 0.01 0.57 -0.23 0.42 -0.69 0.00 0.00 174.62 174.70 3mg5 s THR 91 N -0.69 2.29 -0.13 -0.82 -4.23 -0.39 -1.03 115.64 110.64 3mg5 s THR 91 Ca 0.11 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.61 3mg5 s THR 91 Cb -0.10 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 3mg5 s THR 91 CO 0.00 0.58 -0.12 0.26 -0.54 0.00 0.00 174.62 174.80 3mg5 s TRP 92 N -0.55 2.83 -0.09 3.99 0.51 -0.11 -1.24 118.94 124.29 3mg5 s TRP 92 Ca 0.08 -0.56 0.03 0.00 -2.12 0.00 0.00 56.10 53.53 3mg5 s TRP 92 Cb -0.11 -1.84 0.01 0.00 -0.81 0.00 0.00 33.47 30.71 3mg5 s TRP 92 CO 0.00 -0.16 -0.19 0.45 -0.51 0.00 0.00 176.95 176.54 3mg5 s SER 93 N 0.27 2.58 0.00 2.95 0.15 0.25 -1.46 113.70 118.44 3mg5 s SER 93 Ca -0.08 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3mg5 s SER 93 Cb -0.15 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 3mg5 s SER 93 CO 0.05 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.21 3mg5 n GLY 94 N 3.64 1.59 2.99 9.45 0.00 -0.22 -1.19 105.19 121.44 3mg5 n GLY 94 Ca -0.21 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3mg5 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mg5 s GLN 95 N 1.02 0.19 -0.01 1.61 -2.07 -0.40 -1.28 119.66 118.71 3mg5 s GLN 95 Ca 0.00 -0.05 -0.28 0.00 -1.82 0.00 0.00 55.36 53.21 3mg5 s GLN 95 Cb 0.00 0.08 -0.03 0.00 -1.09 0.00 0.00 33.01 31.97 3mg5 s GLN 95 CO 0.00 -0.03 0.88 -0.47 -1.32 0.00 0.00 175.29 174.35 3mg5 s TYR 96 N -0.36 3.64 -0.26 9.60 5.04 0.03 -1.46 117.35 133.58 3mg5 s TYR 96 Ca -0.04 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.13 3mg5 s TYR 96 Cb -0.03 -3.01 0.04 0.00 0.35 0.00 0.00 41.96 39.31 3mg5 s TYR 96 CO 0.00 0.04 -0.06 0.08 -1.34 0.00 0.00 175.55 174.27 3mg5 s VAL 97 N 0.87 2.77 0.73 3.14 1.01 0.47 -0.92 120.40 128.46 3mg5 s VAL 97 Ca 0.47 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3mg5 s VAL 97 Cb -0.20 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.73 3mg5 s VAL 97 CO 0.25 0.10 1.07 -0.83 0.00 0.00 0.00 175.10 175.69 3mg5 s GLY 98 N 1.27 1.67 0.00 4.51 0.00 -1.26 -1.85 107.32 111.65 3mg5 s GLY 98 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.81 3mg5 s GLY 98 CO -0.04 0.45 0.00 0.61 0.00 0.00 0.00 173.10 174.12 3mg5 n GLY 99 N -1.74 -1.24 0.37 0.20 0.00 -1.26 -4.85 105.19 96.66 3mg5 n GLY 99 Ca 0.08 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.89 3mg5 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mg5 h ALA 100 N 0.00 1.47 -3.66 4.61 0.00 -2.06 -3.26 119.26 116.36 3mg5 h ALA 100 Ca 0.00 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 3mg5 h ALA 100 Cb 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 17.79 17.14 3mg5 h ALA 100 CO 0.00 0.36 -0.72 -1.83 0.00 0.00 0.00 179.25 177.06 3mg5 s GLU 101 N -5.97 1.83 0.44 0.00 4.04 -1.26 -5.11 118.70 112.67 3mg5 s GLU 101 Ca -0.12 -1.67 -0.24 0.00 0.04 0.00 0.00 54.97 52.98 3mg5 s GLU 101 Cb 0.20 -3.16 -0.08 0.00 0.02 0.00 0.00 34.13 31.12 3mg5 s GLU 101 CO 0.81 -0.82 1.22 0.00 -1.84 0.00 0.00 175.26 174.62 3mg5 s ALA 102 N 1.01 3.08 -0.04 -0.84 0.00 -1.23 -4.93 121.76 118.81 3mg5 s ALA 102 Ca 0.04 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.98 3mg5 s ALA 102 Cb -0.20 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.51 3mg5 s ALA 102 CO -0.06 -0.72 0.16 0.50 0.00 0.00 0.00 175.76 175.63 3mg5 s ARG 103 N -2.48 0.32 -0.18 0.00 3.52 -0.77 -4.34 118.95 115.02 3mg5 s ARG 103 Ca 0.61 -0.03 -0.02 0.00 -0.13 0.00 0.00 55.73 56.16 3mg5 s ARG 103 Cb -0.33 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.20 3mg5 s ARG 103 CO 0.40 -0.06 -0.10 0.42 -0.81 0.00 0.00 175.30 175.15 3mg5 s ILE 104 N -0.54 3.02 -0.22 4.11 1.01 -0.36 -0.40 121.20 127.83 3mg5 s ILE 104 Ca -0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 3mg5 s ILE 104 Cb -0.04 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3mg5 s ILE 104 CO 0.01 0.48 0.02 0.20 0.00 0.00 0.00 174.94 175.65 3mg5 s ASN 105 N 1.08 4.91 0.20 3.58 0.01 -0.54 -0.53 114.94 123.65 3mg5 s ASN 105 Ca 0.00 -0.21 0.07 0.00 -0.71 0.00 0.00 52.86 52.02 3mg5 s ASN 105 Cb -0.15 -1.85 -0.05 0.00 0.41 0.00 0.00 41.25 39.61 3mg5 s ASN 105 CO -0.02 0.03 -0.14 0.42 -1.51 0.00 0.00 177.10 175.88 3mg5 s THR 106 N 1.20 1.69 0.14 1.60 -4.23 -0.12 -1.28 115.64 114.64 3mg5 s THR 106 Ca 0.03 -2.20 0.11 0.00 -1.18 0.00 0.00 61.69 58.45 3mg5 s THR 106 Cb -0.14 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 3mg5 s THR 106 CO 0.02 -0.60 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.15 3mg5 s GLN 107 N -3.66 1.49 0.08 3.99 -0.21 -0.33 -2.11 119.66 118.91 3mg5 s GLN 107 Ca 0.22 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 54.25 3mg5 s GLN 107 Cb -0.00 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 3mg5 s GLN 107 CO 0.06 0.44 -0.06 1.67 -2.12 0.00 0.00 175.29 175.29 3mg5 s TRP 108 N -1.22 0.75 -0.11 0.91 1.48 0.10 -0.58 118.94 120.27 3mg5 s TRP 108 Ca 0.16 -0.86 -0.00 0.00 -1.06 0.00 0.00 56.10 54.34 3mg5 s TRP 108 Cb -0.10 -0.46 0.02 0.00 -1.16 0.00 0.00 33.47 31.78 3mg5 s TRP 108 CO 0.08 -0.18 -0.07 -0.51 -4.06 0.00 0.00 176.95 172.20 3mg5 s LEU 109 N -2.69 1.16 -0.33 -4.66 1.43 -0.37 -2.07 118.68 111.15 3mg5 s LEU 109 Ca 0.06 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3mg5 s LEU 109 Cb 0.02 -0.81 0.06 0.00 0.03 0.00 0.00 46.19 45.50 3mg5 s LEU 109 CO -0.05 -0.12 0.06 -0.22 0.23 0.00 0.00 176.35 176.25 3mg5 s LEU 110 N 1.69 4.25 -0.18 1.79 2.96 0.40 -1.27 118.68 128.32 3mg5 s LEU 110 Ca 0.04 -1.41 -0.07 0.00 -0.22 0.00 0.00 54.13 52.47 3mg5 s LEU 110 Cb -0.13 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 3mg5 s LEU 110 CO -0.08 -0.33 0.06 -0.89 -1.32 0.00 0.00 176.35 173.80 3mg5 s THR 111 N 1.25 4.79 -0.05 3.68 2.01 0.06 -1.01 115.64 126.37 3mg5 s THR 111 Ca -0.02 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 3mg5 s THR 111 Cb -0.20 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3mg5 s THR 111 CO -0.01 0.46 0.20 -0.44 -0.69 0.00 0.00 174.62 174.14 3mg5 s SER 112 N 0.36 6.44 0.14 3.53 0.01 0.08 -0.87 113.70 123.40 3mg5 s SER 112 Ca 0.03 0.50 -0.31 0.00 1.31 0.00 0.00 55.95 57.48 3mg5 s SER 112 Cb -0.12 -2.07 -0.10 0.00 0.21 0.00 0.00 66.02 63.93 3mg5 s SER 112 CO 0.00 0.33 1.75 -0.83 0.41 0.00 0.00 173.24 174.90 3mg5 s GLY 113 N -1.42 1.35 0.20 3.44 0.00 -0.11 -4.83 107.32 105.95 3mg5 s GLY 113 Ca 0.22 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.39 3mg5 s GLY 113 CO 0.11 2.98 0.08 -0.51 0.00 0.00 0.00 173.10 175.77 3mg5 s THR 114 N 2.12 0.31 0.86 0.90 -4.23 -1.26 -5.01 115.64 109.33 3mg5 s THR 114 Ca 0.77 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 3mg5 s THR 114 Cb -0.46 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.09 3mg5 s THR 114 CO 0.34 -0.17 1.09 0.42 -0.54 0.00 0.00 174.62 175.77 3mg5 s THR 115 N -3.93 2.85 0.30 3.99 -4.23 -1.26 -4.90 115.64 108.46 3mg5 s THR 115 Ca 0.33 0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 3mg5 s THR 115 Cb 0.07 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 71.37 3mg5 s THR 115 CO 0.09 -0.36 1.96 -0.33 -0.54 0.00 0.00 174.62 175.44 3mg5 h GLU 116 N -1.41 1.08 -0.04 3.99 5.08 -2.01 -2.35 114.58 118.93 3mg5 h GLU 116 Ca -0.48 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 3mg5 h GLU 116 Cb 1.27 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3mg5 h GLU 116 CO 0.54 0.73 -0.20 0.00 -1.00 0.00 0.00 179.01 179.08 3mg5 h ALA 117 N 1.47 1.60 -0.59 3.43 0.00 -2.07 -2.40 119.26 120.70 3mg5 h ALA 117 Ca 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mg5 h ALA 117 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3mg5 h ALA 117 CO -0.06 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3mg5 n ASN 118 N -4.27 3.76 0.26 0.00 3.02 -1.01 -4.54 115.26 112.48 3mg5 n ASN 118 Ca -0.02 -2.00 0.13 0.00 -0.03 0.00 0.00 54.58 52.66 3mg5 n ASN 118 Cb 0.28 -0.39 0.72 0.00 -0.61 0.00 0.00 39.78 39.77 3mg5 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mg5 h ALA 119 N 4.43 1.28 0.00 5.41 0.00 -0.90 -1.65 119.26 127.82 3mg5 h ALA 119 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3mg5 h ALA 119 Cb 0.99 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3mg5 h ALA 119 CO 0.00 0.15 -0.03 0.11 0.00 0.00 0.00 179.25 179.48 3mg5 h TRP 120 N 0.00 0.00 -0.44 0.00 5.08 -1.80 -1.78 115.95 117.01 3mg5 h TRP 120 Ca -0.00 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.73 3mg5 h TRP 120 Cb 0.35 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.36 3mg5 h TRP 120 CO 0.00 0.03 -0.03 0.36 -1.28 0.00 0.00 178.44 177.52 3mg5 n LYS 121 N -4.07 1.95 0.20 0.12 2.85 -0.62 -4.70 118.16 113.89 3mg5 n LYS 121 Ca -0.03 -3.22 0.09 0.00 -1.05 0.00 0.00 58.31 54.10 3mg5 n LYS 121 Cb 0.11 -1.88 0.23 0.00 -0.65 0.00 0.00 35.03 32.85 3mg5 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3mg5 h SER 122 N 1.07 0.00 -3.19 -5.58 4.64 -1.35 -3.46 113.55 105.67 3mg5 h SER 122 Ca 0.28 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.08 3mg5 h SER 122 Cb 1.75 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.47 3mg5 h SER 122 CO 0.50 0.21 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.98 3mg5 s THR 123 N -3.26 0.98 0.20 2.95 2.01 -1.26 -0.74 115.64 116.52 3mg5 s THR 123 Ca 0.04 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 3mg5 s THR 123 Cb 0.07 -1.02 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 3mg5 s THR 123 CO 0.68 0.34 0.50 -0.76 -0.69 0.00 0.00 174.62 174.69 3mg5 s LEU 124 N 1.73 4.20 -0.00 4.42 1.43 -0.18 -4.91 118.68 125.37 3mg5 s LEU 124 Ca 0.05 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 3mg5 s LEU 124 Cb -0.13 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 3mg5 s LEU 124 CO -0.08 -0.03 -0.14 0.54 0.23 0.00 0.00 176.35 176.87 3mg5 s VAL 125 N -1.75 1.08 0.00 -1.59 0.11 -1.26 -0.45 120.40 116.54 3mg5 s VAL 125 Ca 0.45 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 3mg5 s VAL 125 Cb -0.12 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 3mg5 s VAL 125 CO 0.22 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 3mg5 n GLY 126 N 2.64 2.25 3.01 6.54 0.00 -0.88 -4.99 105.19 113.76 3mg5 n GLY 126 Ca -0.15 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 3mg5 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3mg5 s HIS 127 N -6.19 -0.26 -0.03 1.61 -3.43 -1.26 -0.72 115.29 105.00 3mg5 s HIS 127 Ca 0.00 0.66 0.06 0.00 -0.80 0.00 0.00 55.06 54.99 3mg5 s HIS 127 Cb 0.00 -0.00 -0.01 0.00 -1.43 0.00 0.00 32.58 31.13 3mg5 s HIS 127 CO 0.00 -0.20 -0.23 -0.51 -2.00 0.00 0.00 174.74 171.80 3mg5 s ASP 128 N 1.19 2.73 -0.06 7.38 1.01 -0.90 -4.99 116.67 123.04 3mg5 s ASP 128 Ca -0.09 -0.43 0.06 0.00 0.71 0.00 0.00 52.55 52.79 3mg5 s ASP 128 Cb -0.11 -0.50 -0.01 0.00 1.01 0.00 0.00 42.92 43.31 3mg5 s ASP 128 CO -0.07 0.25 -0.23 -0.89 0.21 0.00 0.00 175.17 174.44 3mg5 s THR 129 N -0.35 2.29 0.02 -1.27 2.01 -1.26 -0.95 115.64 116.13 3mg5 s THR 129 Ca 0.04 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.13 3mg5 s THR 129 Cb -0.11 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 3mg5 s THR 129 CO 0.01 0.57 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.51 3mg5 s LEU 130 N -0.29 2.13 0.22 4.42 1.02 0.31 -2.98 118.68 123.50 3mg5 s LEU 130 Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 53.65 3mg5 s LEU 130 Cb -0.13 -1.17 -0.05 0.00 0.02 0.00 0.00 46.19 44.87 3mg5 s LEU 130 CO 0.03 0.24 0.07 0.42 0.02 0.00 0.00 176.35 177.13 3mg5 s THR 131 N -0.71 0.49 -1.97 5.49 -4.23 -0.63 -1.22 115.64 112.86 3mg5 s THR 131 Ca 0.10 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.70 3mg5 s THR 131 Cb -0.09 -2.42 0.23 0.00 1.34 0.00 0.00 72.50 71.56 3mg5 s THR 131 CO 0.01 -0.18 1.18 0.29 -0.54 0.00 0.00 174.62 175.39 3mg5 n LYS 132 N -0.35 1.62 -2.88 3.99 5.02 -1.26 -0.49 118.16 123.81 3mg5 n LYS 132 Ca -0.02 -0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 54.91 3mg5 n LYS 132 Cb 0.65 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 34.40 3mg5 n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mg5 s VAL 133 N -1.65 4.85 0.13 -0.18 1.01 -1.26 -4.87 120.40 118.43 3mg5 s VAL 133 Ca 0.17 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 3mg5 s VAL 133 Cb 0.09 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 3mg5 s VAL 133 CO 0.12 -0.03 1.20 -0.75 0.00 0.00 0.00 175.10 175.64 3mg5 s LYS 134 N 2.53 4.47 0.00 2.72 2.20 -1.26 -4.66 119.74 125.74 3mg5 s LYS 134 Ca 0.37 1.82 0.28 0.00 -0.36 0.00 0.00 55.97 58.08 3mg5 s LYS 134 Cb -0.16 -3.29 1.66 0.00 -1.51 0.00 0.00 37.83 34.53 3mg5 s LYS 134 CO 0.10 -0.16 2.00 -0.35 -0.36 0.00 0.00 175.35 176.57