#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s PHE -8 N 0.00 3.35 -0.39 3.69 5.36 -1.26 -5.00 117.98 123.73 3bdm s PHE -8 Ca 0.00 1.44 -0.10 0.00 -0.96 0.00 0.00 56.93 57.31 3bdm s PHE -8 Cb 0.00 -3.28 0.05 0.00 -0.34 0.00 0.00 43.02 39.45 3bdm s PHE -8 CO 0.00 -0.62 0.23 1.21 -1.46 0.00 0.00 175.22 174.57 3bdm s ASN -7 N 1.27 5.69 0.08 6.13 3.04 -1.26 -4.96 114.94 124.93 3bdm s ASN -7 Ca 0.49 -1.20 0.14 0.00 0.04 0.00 0.00 52.86 52.33 3bdm s ASN -7 Cb -0.19 -2.01 0.61 0.00 -1.54 0.00 0.00 41.25 38.12 3bdm s ASN -7 CO 0.15 -0.45 1.44 -0.81 -3.04 0.00 0.00 177.10 174.39 3bdm n PRO -6 N 4.97 0.05 -4.22 0.43 -0.04 -1.26 -4.80 135.00 130.12 3bdm n PRO -6 Ca -0.11 0.36 -0.24 0.00 -0.04 0.00 0.00 63.50 63.47 3bdm n PRO -6 Cb 0.45 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 3bdm n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3bdm s TYR -5 N -3.10 2.85 0.34 0.54 1.51 -1.26 -5.09 117.35 113.14 3bdm s TYR -5 Ca 0.04 -0.16 -0.05 0.00 -1.01 0.00 0.00 57.07 55.90 3bdm s TYR -5 Cb 0.07 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 3bdm s TYR -5 CO 0.23 0.56 0.51 0.20 -1.11 0.00 0.00 175.55 175.94 3bdm s GLY -4 N -3.42 1.29 -0.07 0.71 0.00 -1.26 -5.16 107.32 99.40 3bdm s GLY -4 Ca 0.30 -1.38 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 3bdm s GLY -4 CO 0.21 -0.90 -0.03 -0.35 0.00 0.00 0.00 173.10 172.03 3bdm s ASP -3 N -3.20 1.51 -0.25 1.64 3.68 -1.26 -4.28 116.67 114.51 3bdm s ASP -3 Ca 0.28 -0.13 0.12 0.00 2.13 0.00 0.00 52.55 54.95 3bdm s ASP -3 Cb -0.01 -0.51 0.53 0.00 -1.45 0.00 0.00 42.92 41.47 3bdm s ASP -3 CO 0.18 -0.14 1.47 0.59 0.13 0.00 0.00 175.17 177.40 3bdm n ASN -2 N 4.79 3.16 0.00 -0.34 4.13 -0.99 -4.47 115.26 121.55 3bdm n ASN -2 Ca -0.13 -3.43 0.00 0.00 1.68 0.00 0.00 54.58 52.70 3bdm n ASN -2 Cb 0.50 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 3bdm n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bdm n GLY -1 N -0.86 3.33 0.65 7.41 0.00 -1.26 -2.74 105.19 111.72 3bdm n GLY -1 Ca 0.29 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.20 3bdm n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 1 N 0.00 -3.04 3.27 -0.02 0.00 -1.26 -4.28 105.19 99.87 3bdm n GLY 1 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3bdm n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 2 N -3.76 -0.01 0.23 2.61 2.01 -1.26 -1.46 115.64 113.99 3bdm s THR 2 Ca 0.00 0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.14 3bdm s THR 2 Cb 0.00 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 3bdm s THR 2 CO 0.00 0.01 -0.20 0.27 -0.69 0.00 0.00 174.62 174.01 3bdm s ILE 3 N 0.63 2.24 -0.07 1.82 -4.36 0.15 -2.41 121.20 119.21 3bdm s ILE 3 Ca -0.03 -2.20 -0.05 0.00 -0.26 0.00 0.00 60.65 58.10 3bdm s ILE 3 Cb -0.05 -2.15 0.03 0.00 1.25 0.00 0.00 42.46 41.54 3bdm s ILE 3 CO -0.04 -0.33 0.18 -0.22 0.24 0.00 0.00 174.94 174.76 3bdm s LEU 4 N -3.12 1.06 -0.07 0.37 2.96 0.14 0.11 118.68 120.14 3bdm s LEU 4 Ca 0.24 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3bdm s LEU 4 Cb -0.05 0.56 0.02 0.00 0.50 0.00 0.00 46.19 47.22 3bdm s LEU 4 CO 0.11 -0.10 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.16 3bdm s GLY 5 N 0.52 0.59 -0.02 7.98 0.00 0.41 0.56 107.32 117.36 3bdm s GLY 5 Ca -0.04 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.50 3bdm s GLY 5 CO -0.03 0.58 -0.17 -0.42 0.00 0.00 0.00 173.10 173.07 3bdm s ILE 6 N 1.22 1.36 -0.20 0.90 1.01 -0.05 -0.33 121.20 125.10 3bdm s ILE 6 Ca -0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 3bdm s ILE 6 Cb -0.14 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3bdm s ILE 6 CO -0.02 0.39 -0.01 0.00 0.00 0.00 0.00 174.94 175.29 3bdm s ALA 7 N -0.31 2.96 0.59 9.38 0.00 0.49 -0.33 121.76 134.55 3bdm s ALA 7 Ca 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3bdm s ALA 7 Cb -0.08 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.36 3bdm s ALA 7 CO -0.00 -0.22 0.39 0.41 0.00 0.00 0.00 175.76 176.33 3bdm n GLY 8 N 4.40 0.39 0.24 0.00 0.00 0.19 -4.92 105.19 105.49 3bdm n GLY 8 Ca -0.17 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 3bdm n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3bdm h GLU 9 N 0.00 0.71 0.00 1.61 4.81 -1.92 -2.38 114.58 117.41 3bdm h GLU 9 Ca -0.13 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3bdm h GLU 9 Cb 0.45 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3bdm h GLU 9 CO 0.13 1.01 -0.34 -0.40 -0.73 0.00 0.00 179.01 178.67 3bdm n ASP 10 N -4.02 0.72 -3.17 1.04 5.75 -1.26 -2.70 116.55 112.90 3bdm n ASP 10 Ca -0.02 -2.32 -0.11 0.00 -0.01 0.00 0.00 54.79 52.33 3bdm n ASP 10 Cb 0.55 -0.27 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 3bdm n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3bdm s PHE 11 N -0.87 0.46 0.06 2.11 -0.12 -1.25 -4.36 117.98 114.00 3bdm s PHE 11 Ca 0.10 -0.94 -0.24 0.00 -0.05 0.00 0.00 56.93 55.80 3bdm s PHE 11 Cb 0.08 0.45 0.06 0.00 -0.63 0.00 0.00 43.02 42.99 3bdm s PHE 11 CO 0.01 -1.36 0.57 0.00 -0.05 0.00 0.00 175.22 174.39 3bdm s ALA 12 N -2.79 -1.47 0.01 1.99 0.00 -0.73 0.56 121.76 119.34 3bdm s ALA 12 Ca 0.21 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3bdm s ALA 12 Cb -0.03 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3bdm s ALA 12 CO 0.14 -0.55 -0.05 0.14 0.00 0.00 0.00 175.76 175.44 3bdm s VAL 13 N -2.60 0.37 -0.14 0.00 -7.23 0.55 -0.28 120.40 111.07 3bdm s VAL 13 Ca -0.04 -0.51 -0.02 0.00 -1.81 0.00 0.00 61.98 59.59 3bdm s VAL 13 Cb -0.01 -0.38 0.04 0.00 0.56 0.00 0.00 36.38 36.60 3bdm s VAL 13 CO -0.03 -0.10 0.02 -0.22 -0.31 0.00 0.00 175.10 174.46 3bdm s LEU 14 N -0.66 0.92 0.31 1.32 0.20 -0.67 -0.87 118.68 119.23 3bdm s LEU 14 Ca -0.03 -0.48 0.09 0.00 0.69 0.00 0.00 54.13 54.40 3bdm s LEU 14 Cb -0.05 -0.54 -0.06 0.00 -0.43 0.00 0.00 46.19 45.11 3bdm s LEU 14 CO -0.00 -0.25 -0.11 0.00 -0.29 0.00 0.00 176.35 175.70 3bdm s ALA 15 N 1.90 2.74 -0.05 5.97 0.00 0.19 -1.83 121.76 130.68 3bdm s ALA 15 Ca 0.02 -1.99 -0.29 0.00 0.00 0.00 0.00 51.96 49.70 3bdm s ALA 15 Cb -0.15 -0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.03 3bdm s ALA 15 CO -0.07 0.09 0.82 0.20 0.00 0.00 0.00 175.76 176.80 3bdm s GLY 16 N -3.54 -0.46 0.84 0.00 0.00 -0.80 0.28 107.32 103.65 3bdm s GLY 16 Ca 0.31 1.38 -0.12 0.00 0.00 0.00 0.00 44.72 46.29 3bdm s GLY 16 CO 0.15 0.75 1.11 0.51 0.00 0.00 0.00 173.10 175.62 3bdm s ASP 17 N -1.63 4.13 -0.32 1.64 3.84 -1.01 -1.82 116.67 121.50 3bdm s ASP 17 Ca -0.03 1.21 0.07 0.00 -0.00 0.00 0.00 52.55 53.80 3bdm s ASP 17 Cb -0.00 -1.89 0.46 0.00 -1.38 0.00 0.00 42.92 40.11 3bdm s ASP 17 CO 0.00 -2.19 1.36 0.35 -0.00 0.00 0.00 175.17 174.70 3bdm n THR 18 N -3.56 2.61 -4.21 2.11 -2.24 0.14 -4.71 114.28 104.42 3bdm n THR 18 Ca 0.07 -3.54 -0.35 0.00 -2.27 0.00 0.00 64.05 57.95 3bdm n THR 18 Cb 0.57 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 3bdm n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3bdm s ARG 19 N -3.48 3.27 -0.13 -0.78 3.52 -1.26 -2.37 118.95 117.73 3bdm s ARG 19 Ca 0.49 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 3bdm s ARG 19 Cb 0.41 -2.95 0.02 0.00 -1.56 0.00 0.00 34.95 30.87 3bdm s ARG 19 CO 0.00 0.63 -0.13 1.21 -0.81 0.00 0.00 175.30 176.21 3bdm s ASN 20 N -0.67 2.48 0.37 -2.12 3.84 -0.77 -4.17 114.94 113.90 3bdm s ASN 20 Ca 0.11 -0.42 0.05 0.00 0.21 0.00 0.00 52.86 52.81 3bdm s ASN 20 Cb -0.12 -1.06 -0.07 0.00 -0.55 0.00 0.00 41.25 39.45 3bdm s ASN 20 CO 0.02 -0.06 0.04 0.27 -2.79 0.00 0.00 177.10 174.58 3bdm s ILE 21 N 1.43 1.53 -0.27 -5.21 -5.25 -1.11 0.47 121.20 112.80 3bdm s ILE 21 Ca 0.02 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 57.67 3bdm s ILE 21 Cb -0.13 -2.87 0.13 0.00 2.95 0.00 0.00 42.46 42.54 3bdm s ILE 21 CO -0.08 0.00 0.31 -0.89 -1.79 0.00 0.00 174.94 172.49 3bdm s THR 22 N -3.04 -0.46 0.00 8.37 2.01 -0.77 -3.99 115.64 117.76 3bdm s THR 22 Ca 0.35 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3bdm s THR 22 Cb 0.09 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.70 3bdm s THR 22 CO 0.16 -0.33 0.00 0.47 -0.69 0.00 0.00 174.62 174.23 3bdm n ASP 23 N 5.33 0.00 -1.21 3.53 10.43 -1.26 -1.87 116.55 131.50 3bdm n ASP 23 Ca -0.03 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.44 3bdm n ASP 23 Cb 0.48 0.00 0.27 0.00 1.84 0.00 0.00 41.12 43.71 3bdm n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3bdm n TYR 24 N 12.96 0.78 -4.00 1.24 4.02 -1.26 -4.96 117.16 125.94 3bdm n TYR 24 Ca 0.00 -0.42 -0.27 0.00 -0.01 0.00 0.00 57.90 57.19 3bdm n TYR 24 Cb 0.00 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.27 3bdm n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3bdm s SER 25 N -1.13 5.95 -0.23 7.72 0.01 -0.78 -5.09 113.70 120.14 3bdm s SER 25 Ca 0.43 0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.67 3bdm s SER 25 Cb 0.23 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 3bdm s SER 25 CO 0.31 0.09 0.06 -0.63 0.41 0.00 0.00 173.24 173.47 3bdm s ILE 26 N -1.68 4.32 0.03 1.44 1.01 -1.26 -1.84 121.20 123.22 3bdm s ILE 26 Ca 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 3bdm s ILE 26 Cb -0.11 -3.00 -0.27 0.00 0.01 0.00 0.00 42.46 39.09 3bdm s ILE 26 CO 0.26 0.37 0.95 0.78 0.00 0.00 0.00 174.94 177.30 3bdm h ASN 27 N 7.89 0.37 -3.60 3.58 2.35 -0.31 -3.48 115.58 122.38 3bdm h ASN 27 Ca -0.37 -0.47 0.01 0.00 -0.55 0.00 0.00 56.30 54.91 3bdm h ASN 27 Cb 1.18 -0.12 -0.23 0.00 0.05 0.00 0.00 38.32 39.19 3bdm h ASN 27 CO 0.60 1.39 0.28 -0.55 -1.65 0.00 0.00 177.43 177.50 3bdm s SER 28 N -6.98 -0.61 0.12 5.81 0.15 -0.99 -4.99 113.70 106.21 3bdm s SER 28 Ca -0.07 1.18 0.25 0.00 0.70 0.00 0.00 55.95 58.01 3bdm s SER 28 Cb 0.07 1.19 0.57 0.00 -1.71 0.00 0.00 66.02 66.14 3bdm s SER 28 CO 0.86 -0.20 1.51 0.54 1.20 0.00 0.00 173.24 177.14 3bdm n ARG 29 N 2.50 0.22 -3.46 5.44 1.74 -1.26 -1.84 116.66 119.99 3bdm n ARG 29 Ca -0.13 0.10 -0.21 0.00 -0.77 0.00 0.00 57.85 56.84 3bdm n ARG 29 Cb 0.55 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 30.20 3bdm n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3bdm s TYR 30 N -3.11 -0.19 -0.37 -1.55 5.04 -1.04 -4.27 117.35 111.86 3bdm s TYR 30 Ca 0.09 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.38 3bdm s TYR 30 Cb 0.14 -0.59 0.15 0.00 0.35 0.00 0.00 41.96 42.01 3bdm s TYR 30 CO 0.67 -0.85 0.31 -2.00 -1.34 0.00 0.00 175.55 172.34 3bdm s GLU 31 N 2.27 0.63 0.19 4.97 2.56 -1.00 -5.04 118.70 123.28 3bdm s GLU 31 Ca 0.09 -1.18 -0.22 0.00 0.00 0.00 0.00 54.97 53.66 3bdm s GLU 31 Cb -0.15 -1.01 -0.14 0.00 2.00 0.00 0.00 34.13 34.83 3bdm s GLU 31 CO -0.32 -1.22 0.37 -2.30 -0.56 0.00 0.00 175.26 171.23 3bdm n PRO 32 N 4.00 0.00 0.00 4.30 -0.02 -1.26 -4.73 135.00 137.29 3bdm n PRO 32 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3bdm n PRO 32 Cb 0.42 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 3bdm n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3bdm n LYS 33 N 0.85 2.63 -4.11 -0.52 4.81 -1.26 -5.02 118.16 115.55 3bdm n LYS 33 Ca 0.14 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.23 3bdm n LYS 33 Cb 0.22 -0.72 -0.11 0.00 0.02 0.00 0.00 35.03 34.44 3bdm n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3bdm s VAL 34 N -1.15 4.29 0.14 3.15 1.01 -1.26 -4.45 120.40 122.14 3bdm s VAL 34 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.87 3bdm s VAL 34 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3bdm s VAL 34 CO 0.00 0.45 -0.22 -0.36 0.00 0.00 0.00 175.10 174.97 3bdm s PHE 35 N 0.66 1.99 -0.47 5.22 0.08 -0.02 -4.96 117.98 120.48 3bdm s PHE 35 Ca 0.01 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 3bdm s PHE 35 Cb -0.14 -1.04 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 3bdm s PHE 35 CO 0.02 0.32 0.58 0.34 -0.10 0.00 0.00 175.22 176.38 3bdm s ASP 36 N -2.29 6.24 0.00 1.36 3.68 -1.26 -0.93 116.67 123.47 3bdm s ASP 36 Ca 0.13 -0.72 0.28 0.00 2.13 0.00 0.00 52.55 54.37 3bdm s ASP 36 Cb -0.08 -2.28 1.12 0.00 -1.45 0.00 0.00 42.92 40.22 3bdm s ASP 36 CO 0.06 -0.78 1.78 0.00 0.13 0.00 0.00 175.17 176.36 3bdm n GLY 38 N 1.17 0.71 3.41 0.00 0.00 -1.24 -4.91 105.19 104.34 3bdm n GLY 38 Ca 0.19 -2.07 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 3bdm n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdm n ASP 39 N -0.02 -2.80 -3.73 1.61 9.92 -1.26 -0.47 116.55 119.80 3bdm n ASP 39 Ca 0.00 -0.38 -0.24 0.00 -0.53 0.00 0.00 54.79 53.64 3bdm n ASP 39 Cb 0.00 -2.37 0.04 0.00 -0.64 0.00 0.00 41.12 38.15 3bdm n ASP 39 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3bdm n ASN 40 N -2.16 -3.21 -4.04 -2.24 5.03 -1.26 -4.85 115.26 102.54 3bdm n ASN 40 Ca 0.01 -0.75 -0.29 0.00 0.87 0.00 0.00 54.58 54.43 3bdm n ASN 40 Cb 0.52 -4.24 -0.17 0.00 -1.02 0.00 0.00 39.78 34.87 3bdm n ASN 40 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3bdm s ILE 41 N -3.46 1.48 -0.04 2.41 1.01 0.38 -4.34 121.20 118.64 3bdm s ILE 41 Ca 0.31 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3bdm s ILE 41 Cb -0.15 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3bdm s ILE 41 CO 0.80 0.44 -0.03 0.68 0.00 0.00 0.00 174.94 176.83 3bdm s VAL 42 N 1.13 4.01 0.05 2.92 -7.23 -0.39 -1.00 120.40 119.88 3bdm s VAL 42 Ca -0.04 -0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.60 3bdm s VAL 42 Cb -0.14 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 3bdm s VAL 42 CO -0.04 0.49 0.02 -0.32 -0.31 0.00 0.00 175.10 174.95 3bdm s MET 43 N -1.19 0.60 -0.27 4.82 0.00 -0.11 -0.52 119.30 122.65 3bdm s MET 43 Ca 0.16 -1.02 -0.12 0.00 0.00 0.00 0.00 55.69 54.71 3bdm s MET 43 Cb -0.11 0.22 0.10 0.00 0.00 0.00 0.00 34.83 35.04 3bdm s MET 43 CO 0.06 -0.13 0.61 0.45 0.00 0.00 0.00 175.02 176.00 3bdm s SER 44 N -2.59 -0.90 -0.34 1.11 0.15 -0.28 -0.84 113.70 110.01 3bdm s SER 44 Ca 0.02 1.41 -0.04 0.00 0.70 0.00 0.00 55.95 58.04 3bdm s SER 44 Cb 0.04 1.69 0.06 0.00 -1.71 0.00 0.00 66.02 66.10 3bdm s SER 44 CO -0.08 -0.23 0.09 0.00 1.20 0.00 0.00 173.24 174.23 3bdm s ALA 45 N 2.25 2.99 -0.05 5.45 0.00 -1.26 -0.91 121.76 130.23 3bdm s ALA 45 Ca -0.07 -1.97 -0.02 0.00 0.00 0.00 0.00 51.96 49.90 3bdm s ALA 45 Cb -0.09 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 3bdm s ALA 45 CO -0.18 -1.44 0.06 1.21 0.00 0.00 0.00 175.76 175.41 3bdm s ASN 46 N 1.49 5.64 0.00 0.00 3.84 -0.33 -4.55 114.94 121.03 3bdm s ASN 46 Ca -0.00 0.20 0.00 0.00 0.21 0.00 0.00 52.86 53.27 3bdm s ASN 46 Cb -0.21 -1.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.85 3bdm s ASN 46 CO -0.01 0.33 0.00 0.61 -2.79 0.00 0.00 177.10 175.25 3bdm n GLY 47 N 1.66 0.51 3.45 1.21 0.00 -1.26 -0.03 105.19 110.73 3bdm n GLY 47 Ca -0.16 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 3bdm n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bdm s PHE 48 N 0.00 2.97 0.31 1.61 5.36 -0.27 -2.33 117.98 125.63 3bdm s PHE 48 Ca 0.00 -0.54 0.05 0.00 -0.96 0.00 0.00 56.93 55.49 3bdm s PHE 48 Cb 0.00 -3.77 0.83 0.00 -0.34 0.00 0.00 43.02 39.75 3bdm s PHE 48 CO 0.00 -1.18 1.60 0.00 -1.46 0.00 0.00 175.22 174.18 3bdm h ALA 49 N 9.12 1.38 -0.48 11.12 0.00 -1.88 -0.07 119.26 138.45 3bdm h ALA 49 Ca -0.28 0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3bdm h ALA 49 Cb 1.09 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3bdm h ALA 49 CO 1.03 -0.59 0.26 0.00 0.00 0.00 0.00 179.25 179.95 3bdm h ALA 50 N 1.90 0.61 -0.15 0.00 0.00 -1.97 0.84 119.26 120.49 3bdm h ALA 50 Ca 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.38 3bdm h ALA 50 Cb 1.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3bdm h ALA 50 CO -0.78 -0.07 -0.55 -0.44 0.00 0.00 0.00 179.25 177.41 3bdm h ASP 51 N 0.52 0.51 -0.66 0.00 3.45 -1.52 -2.30 116.42 116.41 3bdm h ASP 51 Ca 0.20 -0.27 -0.02 0.00 0.43 0.00 0.00 57.03 57.37 3bdm h ASP 51 Cb 0.06 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 3bdm h ASP 51 CO -0.11 0.96 0.34 1.23 -1.57 0.00 0.00 179.24 180.09 3bdm h GLY 52 N 1.17 1.01 0.93 2.75 0.00 -0.30 -1.47 103.07 107.16 3bdm h GLY 52 Ca 0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 3bdm h GLY 52 CO 0.10 0.46 -0.39 -0.55 0.00 0.00 0.00 176.54 176.15 3bdm h ASP 53 N 0.91 0.69 -0.75 0.19 3.45 -0.83 -2.29 116.42 117.80 3bdm h ASP 53 Ca 0.23 -0.55 0.09 0.00 0.43 0.00 0.00 57.03 57.24 3bdm h ASP 53 Cb 0.08 -0.20 -0.07 0.00 -0.56 0.00 0.00 39.33 38.58 3bdm h ASP 53 CO -0.03 1.11 0.40 0.00 -1.57 0.00 0.00 179.24 179.14 3bdm h ALA 54 N 0.60 1.05 0.25 3.45 0.00 -1.24 -0.09 119.26 123.28 3bdm h ALA 54 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3bdm h ALA 54 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3bdm h ALA 54 CO 0.09 0.01 -0.12 1.25 0.00 0.00 0.00 179.25 180.47 3bdm h LEU 55 N 0.67 -0.29 -0.30 0.00 5.85 -1.20 -0.90 115.31 119.14 3bdm h LEU 55 Ca 0.37 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3bdm h LEU 55 Cb 0.37 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3bdm h LEU 55 CO -0.26 0.06 -0.11 0.58 -0.34 0.00 0.00 178.44 178.36 3bdm h VAL 56 N -0.66 0.62 -0.45 1.05 2.07 -1.15 0.11 116.25 117.83 3bdm h VAL 56 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 3bdm h VAL 56 Cb 0.46 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3bdm h VAL 56 CO 0.06 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 178.14 3bdm h LYS 57 N -0.06 0.10 -0.90 1.57 3.64 -0.98 -0.05 116.57 119.90 3bdm h LYS 57 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3bdm h LYS 57 Cb 0.29 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3bdm h LYS 57 CO -0.34 0.07 0.49 -0.09 -2.27 0.00 0.00 179.45 177.31 3bdm h ARG 58 N 0.11 1.26 0.06 1.90 2.43 -0.24 -1.42 114.38 118.47 3bdm h ARG 58 Ca 0.22 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3bdm h ARG 58 Cb 0.33 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3bdm h ARG 58 CO -0.38 0.92 -0.03 0.35 -1.51 0.00 0.00 179.97 179.32 3bdm h PHE 59 N 1.26 -0.07 -0.85 2.20 3.57 0.07 -1.69 116.94 121.43 3bdm h PHE 59 Ca 0.32 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.93 3bdm h PHE 59 Cb 0.03 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 3bdm h PHE 59 CO 0.01 0.16 0.48 0.87 -2.23 0.00 0.00 178.31 177.60 3bdm h LYS 60 N -0.31 0.74 0.00 1.11 1.57 -0.89 0.63 116.57 119.42 3bdm h LYS 60 Ca -0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3bdm h LYS 60 Cb 0.27 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3bdm h LYS 60 CO 0.01 0.49 -0.08 -0.97 -0.57 0.00 0.00 179.45 178.34 3bdm h ASN 61 N 0.76 0.00 -0.25 0.86 -0.73 -1.03 -0.73 115.58 114.46 3bdm h ASN 61 Ca 0.43 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.46 3bdm h ASN 61 Cb 0.46 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.04 3bdm h ASN 61 CO -0.28 0.08 -0.38 -1.28 -0.37 0.00 0.00 177.43 175.20 3bdm h SER 62 N 0.00 0.77 -0.23 1.15 0.87 0.11 -2.72 113.55 113.51 3bdm h SER 62 Ca -0.00 -0.51 -0.04 0.00 -1.23 0.00 0.00 61.79 60.00 3bdm h SER 62 Cb 0.14 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3bdm h SER 62 CO 0.01 1.14 0.02 0.58 -0.53 0.00 0.00 176.83 178.05 3bdm h VAL 63 N 0.43 1.19 0.55 2.23 2.07 0.04 0.53 116.25 123.29 3bdm h VAL 63 Ca 0.02 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3bdm h VAL 63 Cb 0.97 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3bdm h VAL 63 CO 0.09 0.25 -0.26 0.50 0.02 0.00 0.00 177.57 178.16 3bdm h LYS 64 N 0.49 -0.71 -0.19 1.57 3.64 -1.01 -2.48 116.57 117.87 3bdm h LYS 64 Ca 0.11 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3bdm h LYS 64 Cb 0.29 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3bdm h LYS 64 CO 0.01 -0.46 -0.13 -1.49 -2.27 0.00 0.00 179.45 175.11 3bdm h TRP 65 N -0.77 0.33 -0.70 1.91 4.06 -1.24 -1.73 115.95 117.81 3bdm h TRP 65 Ca -0.08 -0.04 0.09 0.00 2.06 0.00 0.00 58.89 60.92 3bdm h TRP 65 Cb 0.58 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.58 3bdm h TRP 65 CO -0.03 0.44 0.35 -0.92 -3.56 0.00 0.00 178.44 174.72 3bdm h TYR 66 N 0.30 0.62 0.17 0.49 3.20 -0.66 0.42 116.97 121.51 3bdm h TYR 66 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3bdm h TYR 66 Cb 0.41 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3bdm h TYR 66 CO 0.01 0.23 -0.08 0.45 -1.64 0.00 0.00 178.16 177.13 3bdm h HIS 67 N 0.60 -0.21 -0.44 -3.82 3.86 -0.88 0.19 115.15 114.45 3bdm h HIS 67 Ca 0.34 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.63 3bdm h HIS 67 Cb 0.35 0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 3bdm h HIS 67 CO -0.11 -0.02 -0.06 0.74 0.86 0.00 0.00 177.93 179.34 3bdm h PHE 68 N -0.36 -0.14 0.04 2.45 0.04 -0.78 0.68 116.94 118.87 3bdm h PHE 68 Ca -0.02 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3bdm h PHE 68 Cb 0.28 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3bdm h PHE 68 CO -0.02 -0.15 -0.02 -0.44 -0.60 0.00 0.00 178.31 177.08 3bdm h ASP 69 N 0.05 -0.05 -1.82 2.17 3.32 -0.03 -3.35 116.42 116.70 3bdm h ASP 69 Ca 0.22 -0.37 -0.71 0.00 0.02 0.00 0.00 57.03 56.18 3bdm h ASP 69 Cb 0.33 0.01 -0.31 0.00 0.22 0.00 0.00 39.33 39.57 3bdm h ASP 69 CO -0.41 0.35 0.54 1.41 -1.72 0.00 0.00 179.24 179.41 3bdm n HIS 70 N -4.93 3.11 -3.93 4.55 8.25 0.65 -4.93 115.22 117.99 3bdm n HIS 70 Ca -0.08 -2.56 -0.38 0.00 -0.26 0.00 0.00 57.72 54.43 3bdm n HIS 70 Cb 0.22 -0.88 0.02 0.00 1.12 0.00 0.00 29.99 30.47 3bdm n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3bdm n ASN 70 N -0.54 -4.58 -1.27 0.41 4.05 -0.98 -1.23 115.26 111.13 3bdm n ASN 70 Ca 0.50 -1.15 -0.11 0.00 0.45 0.00 0.00 54.58 54.27 3bdm n ASN 70 Cb 0.37 -1.95 -0.05 0.00 1.23 0.00 0.00 39.78 39.38 3bdm n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3bdm n ASP 71 N -2.33 -2.93 -4.75 1.20 8.00 0.20 -4.91 116.55 111.03 3bdm n ASP 71 Ca -0.16 0.26 -0.41 0.00 0.71 0.00 0.00 54.79 55.19 3bdm n ASP 71 Cb 0.60 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 3bdm n ASP 71 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3bdm n LYS 72 N -1.65 2.37 -2.30 -1.24 4.81 -0.36 -4.92 118.16 114.86 3bdm n LYS 72 Ca -0.11 0.83 -0.42 0.00 -0.87 0.00 0.00 58.31 57.75 3bdm n LYS 72 Cb 0.36 -2.56 -0.03 0.00 0.02 0.00 0.00 35.03 32.82 3bdm n LYS 72 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3bdm s LYS 73 N -2.16 4.42 -0.37 1.64 2.20 -1.26 -4.66 119.74 119.54 3bdm s LYS 73 Ca 0.57 1.94 -0.28 0.00 -0.36 0.00 0.00 55.97 57.83 3bdm s LYS 73 Cb -0.49 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.59 3bdm s LYS 73 CO 0.61 -0.24 1.06 -1.17 -0.36 0.00 0.00 175.35 175.25 3bdm s LEU 74 N 0.39 3.86 0.46 5.43 2.96 -1.26 -5.00 118.68 125.51 3bdm s LEU 74 Ca 0.58 0.80 -0.24 0.00 -0.22 0.00 0.00 54.13 55.05 3bdm s LEU 74 Cb -0.34 -3.49 -0.07 0.00 0.50 0.00 0.00 46.19 42.79 3bdm s LEU 74 CO 0.34 -0.98 1.25 -0.94 -1.32 0.00 0.00 176.35 174.70 3bdm s SER 75 N 1.92 6.04 0.36 3.68 1.04 -1.26 -4.80 113.70 120.67 3bdm s SER 75 Ca 0.45 2.52 0.11 0.00 0.48 0.00 0.00 55.95 59.51 3bdm s SER 75 Cb -0.11 -2.62 0.90 0.00 0.10 0.00 0.00 66.02 64.29 3bdm s SER 75 CO 0.21 -1.02 1.81 -0.29 0.98 0.00 0.00 173.24 174.92 3bdm h ILE 76 N 1.99 0.69 -0.07 -1.02 6.09 -1.92 0.12 117.51 123.39 3bdm h ILE 76 Ca -0.50 -0.21 -0.16 0.00 -1.37 0.00 0.00 64.86 62.62 3bdm h ILE 76 Cb 1.26 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 3bdm h ILE 76 CO 0.60 0.11 -0.66 -0.55 -3.07 0.00 0.00 178.15 174.58 3bdm h ASN 77 N 0.61 0.35 -0.35 2.19 -1.07 -1.91 -1.79 115.58 113.60 3bdm h ASN 77 Ca 0.53 -0.21 -0.14 0.00 0.07 0.00 0.00 56.30 56.55 3bdm h ASN 77 Cb 1.04 -0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 37.18 3bdm h ASN 77 CO -0.29 0.91 -0.31 0.28 0.07 0.00 0.00 177.43 178.09 3bdm h SER 78 N 0.21 0.89 -0.59 6.14 0.02 -1.24 -1.92 113.55 117.05 3bdm h SER 78 Ca -0.02 -0.46 0.05 0.00 -0.84 0.00 0.00 61.79 60.53 3bdm h SER 78 Cb 1.20 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 3bdm h SER 78 CO 0.11 1.16 0.31 0.00 -1.14 0.00 0.00 176.83 177.27 3bdm h ALA 79 N 0.75 0.78 -0.24 3.77 0.00 -0.79 -0.15 119.26 123.38 3bdm h ALA 79 Ca 0.06 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3bdm h ALA 79 Cb 0.89 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3bdm h ALA 79 CO 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 179.25 179.34 3bdm h ALA 80 N 1.32 0.24 -0.49 0.00 0.00 -1.00 0.24 119.26 119.57 3bdm h ALA 80 Ca 0.27 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3bdm h ALA 80 Cb 0.17 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3bdm h ALA 80 CO -0.18 -0.39 0.06 -0.09 0.00 0.00 0.00 179.25 178.66 3bdm h ARG 81 N 0.12 0.77 -0.47 0.00 9.65 -0.71 -1.97 114.38 121.77 3bdm h ARG 81 Ca 0.11 -0.18 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 3bdm h ARG 81 Cb 0.12 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 3bdm h ARG 81 CO -0.16 0.74 -0.02 -0.97 2.80 0.00 0.00 179.97 182.36 3bdm h ASN 82 N 0.73 0.83 -0.45 -3.80 -0.00 -0.40 -2.53 115.58 109.97 3bdm h ASN 82 Ca 0.15 -0.32 -0.04 0.00 -0.00 0.00 0.00 56.30 56.10 3bdm h ASN 82 Cb 0.36 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 38.43 3bdm h ASN 82 CO 0.01 0.95 0.16 0.40 -0.00 0.00 0.00 177.43 178.94 3bdm h ILE 83 N 0.70 1.20 -0.51 2.57 2.04 -0.66 -1.34 117.51 121.51 3bdm h ILE 83 Ca 0.13 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3bdm h ILE 83 Cb 0.53 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3bdm h ILE 83 CO 0.03 0.26 0.32 -0.61 0.00 0.00 0.00 178.15 178.15 3bdm h GLN 84 N 0.73 0.68 0.00 2.37 4.15 -0.95 -0.12 115.11 121.97 3bdm h GLN 84 Ca 0.17 -0.05 -0.24 0.00 0.77 0.00 0.00 58.65 59.30 3bdm h GLN 84 Cb 0.22 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.77 3bdm h GLN 84 CO -0.01 0.47 -0.98 0.45 -1.93 0.00 0.00 178.83 176.84 3bdm h HIS 85 N 0.70 0.75 0.05 3.99 3.86 -1.01 -1.09 115.15 122.41 3bdm h HIS 85 Ca 0.19 -0.41 0.01 0.00 -1.16 0.00 0.00 60.37 59.00 3bdm h HIS 85 Cb -0.05 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 3bdm h HIS 85 CO 0.00 1.24 -0.13 -0.07 0.86 0.00 0.00 177.93 179.83 3bdm h LEU 86 N 0.29 -0.36 0.88 2.43 3.38 -0.43 -0.50 115.31 120.99 3bdm h LEU 86 Ca -0.10 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3bdm h LEU 86 Cb 1.62 0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.52 3bdm h LEU 86 CO 0.18 -0.19 -0.42 -0.07 0.09 0.00 0.00 178.44 178.03 3bdm h LEU 87 N -0.24 -1.00 -2.44 1.67 3.38 -1.07 -2.97 115.31 112.63 3bdm h LEU 87 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3bdm h LEU 87 Cb 0.27 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3bdm h LEU 87 CO -0.09 -0.67 0.00 0.22 0.09 0.00 0.00 178.44 177.99 3bdm h TYR 88 N -1.28 0.00 0.00 1.13 5.03 -1.20 -0.42 116.97 120.23 3bdm h TYR 88 Ca -0.12 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.19 3bdm h TYR 88 Cb 0.91 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.19 3bdm h TYR 88 CO -0.00 0.00 -0.01 0.78 -1.32 0.00 0.00 178.16 177.60 3bdm h GLY 89 N 0.26 0.00 -3.47 1.82 0.00 -0.91 -0.71 103.07 100.06 3bdm h GLY 89 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 3bdm h GLY 89 CO 0.00 0.00 -0.54 0.28 0.00 0.00 0.00 176.54 176.28 3bdm n LYS 90 N -3.25 3.24 0.29 4.80 5.02 -0.17 -4.78 118.16 123.31 3bdm n LYS 90 Ca -0.02 -3.94 0.19 0.00 -2.02 0.00 0.00 58.31 52.52 3bdm n LYS 90 Cb 0.12 -2.20 0.98 0.00 -0.02 0.00 0.00 35.03 33.92 3bdm n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3bdm h ARG 91 N 2.00 0.00 -0.33 1.97 9.65 -1.21 0.26 114.38 126.71 3bdm h ARG 91 Ca 0.36 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 3bdm h ARG 91 Cb 1.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.99 3bdm h ARG 91 CO 0.79 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.75 3bdm n PHE 92 N -3.32 0.90 -2.68 2.20 3.72 -1.26 -4.55 117.46 112.47 3bdm n PHE 92 Ca -0.01 -0.73 -0.05 0.00 -0.05 0.00 0.00 57.45 56.61 3bdm n PHE 92 Cb 0.22 -0.23 0.09 0.00 -0.94 0.00 0.00 39.48 38.62 3bdm n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3bdm n PHE 93 N -0.01 -0.87 -0.98 1.38 7.35 -0.72 -5.17 117.46 118.43 3bdm n PHE 93 Ca 0.19 -0.91 -0.34 0.00 -0.76 0.00 0.00 57.45 55.63 3bdm n PHE 93 Cb 0.77 1.21 0.10 0.00 0.35 0.00 0.00 39.48 41.90 3bdm n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3bdm n PRO 94 N 0.96 -0.05 -3.03 -7.13 -0.02 -0.00 -4.83 135.00 120.91 3bdm n PRO 94 Ca -0.01 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 3bdm n PRO 94 Cb 0.72 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.34 3bdm n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3bdm s TYR 95 N -2.19 3.15 -0.93 6.00 4.12 -1.26 -4.94 117.35 121.30 3bdm s TYR 95 Ca 0.59 0.53 -0.19 0.00 0.02 0.00 0.00 57.07 58.03 3bdm s TYR 95 Cb -0.26 -3.23 -0.11 0.00 -1.52 0.00 0.00 41.96 36.84 3bdm s TYR 95 CO 0.65 -0.64 2.02 0.66 0.02 0.00 0.00 175.55 178.26 3bdm n TYR 96 N 6.19 2.13 -3.87 2.71 4.02 -1.26 -4.79 117.16 122.29 3bdm n TYR 96 Ca 0.01 -2.06 -0.11 0.00 -0.01 0.00 0.00 57.90 55.73 3bdm n TYR 96 Cb 0.48 -1.87 -0.09 0.00 -0.02 0.00 0.00 39.34 37.84 3bdm n TYR 96 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3bdm s VAL 97 N 4.44 0.10 -0.27 -0.72 -7.23 -1.26 -1.11 120.40 114.35 3bdm s VAL 97 Ca 0.54 -0.86 -0.04 0.00 -1.81 0.00 0.00 61.98 59.82 3bdm s VAL 97 Cb 0.14 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.38 3bdm s VAL 97 CO 0.06 -0.47 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.37 3bdm s HIS 98 N -2.10 3.10 0.03 2.82 3.76 0.96 -3.94 115.29 119.93 3bdm s HIS 98 Ca -0.09 -1.35 0.04 0.00 -0.15 0.00 0.00 55.06 53.50 3bdm s HIS 98 Cb -0.04 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 3bdm s HIS 98 CO -0.02 -0.67 -0.04 -0.08 -0.85 0.00 0.00 174.74 173.08 3bdm s THR 99 N 1.39 3.83 0.00 1.30 -1.32 -1.26 -1.19 115.64 118.40 3bdm s THR 99 Ca 0.01 -0.83 0.02 0.00 -1.21 0.00 0.00 61.69 59.68 3bdm s THR 99 Cb -0.17 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 68.09 3bdm s THR 99 CO -0.02 0.30 -0.06 -0.63 -2.21 0.00 0.00 174.62 172.00 3bdm s ILE 100 N -1.11 0.48 0.06 5.08 1.09 -0.09 -0.28 121.20 126.42 3bdm s ILE 100 Ca 0.20 -0.38 0.04 0.00 -1.10 0.00 0.00 60.65 59.41 3bdm s ILE 100 Cb -0.11 -0.43 -0.03 0.00 -1.06 0.00 0.00 42.46 40.83 3bdm s ILE 100 CO 0.11 0.05 -0.12 0.27 -0.10 0.00 0.00 174.94 175.15 3bdm s ILE 101 N -0.33 0.96 0.06 2.92 -4.36 0.20 -1.13 121.20 119.53 3bdm s ILE 101 Ca 0.00 -1.20 0.02 0.00 -0.26 0.00 0.00 60.65 59.21 3bdm s ILE 101 Cb -0.03 -0.94 -0.03 0.00 1.25 0.00 0.00 42.46 42.70 3bdm s ILE 101 CO -0.00 -0.24 -0.07 0.00 0.24 0.00 0.00 174.94 174.88 3bdm s ALA 102 N -1.24 0.70 0.00 2.27 0.00 0.33 -0.75 121.76 123.07 3bdm s ALA 102 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3bdm s ALA 102 Cb -0.10 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3bdm s ALA 102 CO 0.02 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3bdm n GLY 103 N 0.79 -0.81 3.17 0.00 0.00 -0.24 -1.27 105.19 106.83 3bdm n GLY 103 Ca -0.18 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 3bdm n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 104 N 0.00 2.07 0.00 0.99 1.43 -1.26 -0.62 118.68 121.29 3bdm s LEU 104 Ca 0.00 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3bdm s LEU 104 Cb 0.00 -0.85 0.10 0.00 0.03 0.00 0.00 46.19 45.47 3bdm s LEU 104 CO 0.00 0.18 0.55 -0.90 0.23 0.00 0.00 176.35 176.41 3bdm n ASP 105 N 2.47 -0.21 0.00 2.29 5.68 -0.10 -4.43 116.55 122.26 3bdm n ASP 105 Ca -0.15 -1.13 0.01 0.00 -0.50 0.00 0.00 54.79 53.02 3bdm n ASP 105 Cb 0.54 -0.43 0.07 0.00 -1.14 0.00 0.00 41.12 40.16 3bdm n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bdm n GLU 106 N -2.32 0.81 0.00 0.11 1.02 -1.26 -2.10 120.64 116.90 3bdm n GLU 106 Ca 0.07 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.23 3bdm n GLU 106 Cb 0.25 -1.05 0.01 0.00 -0.02 0.00 0.00 31.44 30.63 3bdm n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3bdm n ASP 10 N -0.55 1.22 0.00 1.62 10.43 -1.26 -4.98 116.55 123.02 3bdm n ASP 10 Ca 0.02 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.27 3bdm n ASP 10 Cb 0.01 0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.08 3bdm n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3bdm n GLY 10 N 0.33 0.75 3.84 0.44 0.00 -0.89 -5.05 105.19 104.61 3bdm n GLY 10 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3bdm n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdm s LYS 107 N -0.35 4.08 0.57 1.61 -0.14 -1.26 -4.40 119.74 119.85 3bdm s LYS 107 Ca 0.00 0.73 -0.21 0.00 -1.36 0.00 0.00 55.97 55.13 3bdm s LYS 107 Cb 0.00 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 3bdm s LYS 107 CO 0.00 0.24 1.34 0.20 -0.76 0.00 0.00 175.35 176.37 3bdm s GLY 108 N -2.07 2.88 -0.11 -3.33 0.00 -0.89 -0.92 107.32 102.87 3bdm s GLY 108 Ca 0.50 1.29 -0.08 0.00 0.00 0.00 0.00 44.72 46.44 3bdm s GLY 108 CO 0.19 1.78 0.28 0.00 0.00 0.00 0.00 173.10 175.35 3bdm s ALA 109 N -1.34 -0.69 -0.03 3.20 0.00 0.21 -4.73 121.76 118.40 3bdm s ALA 109 Ca 0.75 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.71 3bdm s ALA 109 Cb -0.39 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 3bdm s ALA 109 CO 0.45 -0.17 -0.15 0.08 0.00 0.00 0.00 175.76 175.97 3bdm s VAL 110 N 0.72 1.23 -0.05 0.00 1.01 -1.22 -1.08 120.40 121.02 3bdm s VAL 110 Ca -0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3bdm s VAL 110 Cb -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.27 3bdm s VAL 110 CO -0.05 0.36 -0.12 -0.31 0.00 0.00 0.00 175.10 174.99 3bdm s TYR 111 N -0.06 1.28 0.08 5.22 2.02 0.07 -0.94 117.35 125.01 3bdm s TYR 111 Ca -0.00 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.37 3bdm s TYR 111 Cb -0.09 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 3bdm s TYR 111 CO 0.01 -0.19 -0.20 -1.54 -1.57 0.00 0.00 175.55 172.06 3bdm s SER 112 N 0.40 2.40 0.34 2.29 1.04 -1.09 -0.63 113.70 118.45 3bdm s SER 112 Ca -0.08 -0.61 0.08 0.00 0.48 0.00 0.00 55.95 55.81 3bdm s SER 112 Cb -0.12 -0.15 -0.07 0.00 0.10 0.00 0.00 66.02 65.78 3bdm s SER 112 CO 0.02 0.08 -0.06 -0.36 0.98 0.00 0.00 173.24 173.91 3bdm s PHE 113 N -1.03 2.27 0.39 5.02 0.40 0.61 -2.67 117.98 122.98 3bdm s PHE 113 Ca 0.06 -0.62 -0.05 0.00 -0.60 0.00 0.00 56.93 55.72 3bdm s PHE 113 Cb -0.09 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 3bdm s PHE 113 CO 0.03 0.44 0.68 0.34 0.70 0.00 0.00 175.22 177.41 3bdm s ASP 114 N -3.57 6.36 0.48 1.36 3.68 0.99 -4.05 116.67 121.92 3bdm s ASP 114 Ca 0.32 0.82 0.33 0.00 2.13 0.00 0.00 52.55 56.16 3bdm s ASP 114 Cb 0.05 -2.20 1.68 0.00 -1.45 0.00 0.00 42.92 41.00 3bdm s ASP 114 CO 0.15 -0.40 1.99 -0.65 0.13 0.00 0.00 175.17 176.40 3bdm h PRO 115 N 0.87 0.00 -0.24 4.34 0.11 -1.87 -1.74 132.00 133.48 3bdm h PRO 115 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3bdm h PRO 115 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3bdm h PRO 115 CO 0.63 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.75 3bdm n VAL 116 N -2.69 1.58 0.00 3.15 0.24 -1.26 -4.12 118.33 115.22 3bdm n VAL 116 Ca -0.01 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.83 3bdm n VAL 116 Cb 0.11 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3bdm n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bdm n GLY 117 N -0.17 2.17 3.74 7.63 0.00 -0.65 -3.41 105.19 114.49 3bdm n GLY 117 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3bdm n GLY 117 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bdm n SER 118 N 0.00 3.72 -3.92 1.61 2.88 -1.26 -4.59 113.62 112.06 3bdm n SER 118 Ca 0.00 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.59 3bdm n SER 118 Cb 0.00 -1.57 -0.10 0.00 -0.75 0.00 0.00 64.21 61.79 3bdm n SER 118 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3bdm s TYR 119 N -0.05 0.17 -0.01 0.66 -0.85 -1.26 -0.00 117.35 116.01 3bdm s TYR 119 Ca 0.64 -0.42 -0.10 0.00 -0.52 0.00 0.00 57.07 56.67 3bdm s TYR 119 Cb -0.51 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 41.71 3bdm s TYR 119 CO 0.49 -0.32 0.20 -2.00 -1.52 0.00 0.00 175.55 172.40 3bdm s GLU 120 N -2.17 0.54 0.04 -3.49 2.56 -1.09 -5.02 118.70 110.07 3bdm s GLU 120 Ca -0.09 -0.28 -0.16 0.00 0.00 0.00 0.00 54.97 54.44 3bdm s GLU 120 Cb -0.04 0.23 -0.06 0.00 2.00 0.00 0.00 34.13 36.26 3bdm s GLU 120 CO -0.03 -0.13 0.48 0.50 -0.56 0.00 0.00 175.26 175.52 3bdm s ARG 121 N -1.27 4.02 0.13 4.30 3.52 -1.26 -2.66 118.95 125.72 3bdm s ARG 121 Ca -0.13 0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 55.94 3bdm s ARG 121 Cb -0.06 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.10 3bdm s ARG 121 CO 0.02 0.66 0.17 -1.21 -0.81 0.00 0.00 175.30 174.13 3bdm s GLU 122 N -1.16 0.99 0.12 5.12 2.02 -0.12 -5.01 118.70 120.66 3bdm s GLU 122 Ca 0.27 -1.23 -0.09 0.00 0.02 0.00 0.00 54.97 53.94 3bdm s GLU 122 Cb -0.18 0.32 -0.11 0.00 0.10 0.00 0.00 34.13 34.26 3bdm s GLU 122 CO 0.16 -0.32 1.31 0.37 0.02 0.00 0.00 175.26 176.80 3bdm h GLN 123 N 2.73 0.62 -2.82 1.61 5.75 -1.94 -3.24 115.11 117.81 3bdm h GLN 123 Ca -0.33 -0.56 -0.06 0.00 -0.15 0.00 0.00 58.65 57.55 3bdm h GLN 123 Cb 1.21 0.14 -0.16 0.00 1.07 0.00 0.00 27.48 29.74 3bdm h GLN 123 CO 0.54 1.18 0.04 0.00 -2.65 0.00 0.00 178.83 177.94 3bdm s ARG 125 N -2.60 0.51 0.05 0.00 6.06 0.55 -4.99 118.95 118.52 3bdm s ARG 125 Ca -0.04 0.78 0.02 0.00 -2.50 0.00 0.00 55.73 53.99 3bdm s ARG 125 Cb -0.01 0.16 -0.04 0.00 0.06 0.00 0.00 34.95 35.12 3bdm s ARG 125 CO -0.03 -0.09 0.04 0.00 -2.50 0.00 0.00 175.30 172.72 3bdm s ALA 126 N 1.03 3.44 0.04 6.12 0.00 -1.26 -0.45 121.76 130.68 3bdm s ALA 126 Ca -0.05 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 3bdm s ALA 126 Cb -0.04 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.69 3bdm s ALA 126 CO -0.12 0.70 0.19 0.20 0.00 0.00 0.00 175.76 176.73 3bdm s GLY 127 N -2.04 0.03 0.00 0.00 0.00 0.12 -4.86 107.32 100.57 3bdm s GLY 127 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.69 3bdm s GLY 127 CO 0.17 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 173.43 3bdm n GLY 128 N 0.70 -1.38 0.37 0.20 0.00 -1.26 0.32 105.19 104.14 3bdm n GLY 128 Ca -0.19 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.68 3bdm n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm h ALA 129 N 0.00 0.12 -0.89 4.61 0.00 -1.51 -1.93 119.26 119.66 3bdm h ALA 129 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 54.91 54.73 3bdm h ALA 129 Cb 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 17.79 18.45 3bdm h ALA 129 CO 0.00 -0.63 0.54 0.00 0.00 0.00 0.00 179.25 179.16 3bdm n ALA 130 N -3.35 5.22 -0.23 0.00 0.00 -1.26 -4.52 120.51 116.36 3bdm n ALA 130 Ca 0.08 -2.61 -0.07 0.00 0.00 0.00 0.00 53.44 50.84 3bdm n ALA 130 Cb 0.39 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.49 3bdm n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bdm h ALA 131 N 1.44 0.83 0.00 0.00 0.00 -1.59 -1.24 119.26 118.69 3bdm h ALA 131 Ca 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3bdm h ALA 131 Cb 2.66 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 20.20 3bdm h ALA 131 CO 0.97 0.42 -0.00 0.66 0.00 0.00 0.00 179.25 181.30 3bdm h SER 132 N 0.89 0.00 0.13 0.00 4.64 -1.82 0.97 113.55 118.36 3bdm h SER 132 Ca 0.22 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.20 3bdm h SER 132 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3bdm h SER 132 CO -0.02 0.00 -1.80 -0.07 -0.87 0.00 0.00 176.83 174.07 3bdm h LEU 133 N 0.00 0.43 0.17 5.97 4.07 -1.60 -3.41 115.31 120.94 3bdm h LEU 133 Ca -0.00 -0.90 -0.23 0.00 0.08 0.00 0.00 57.88 56.83 3bdm h LEU 133 Cb 0.07 -0.14 0.03 0.00 1.08 0.00 0.00 40.66 41.70 3bdm h LEU 133 CO 0.00 1.78 -0.99 0.40 -1.08 0.00 0.00 178.44 178.55 3bdm h ILE 134 N -0.06 1.45 -0.52 1.22 2.04 -0.66 -3.38 117.51 117.59 3bdm h ILE 134 Ca -0.38 -2.57 0.09 0.00 1.00 0.00 0.00 64.86 63.00 3bdm h ILE 134 Cb 1.96 3.14 -0.11 0.00 -0.74 0.00 0.00 36.82 41.07 3bdm h ILE 134 CO 0.08 0.74 -0.35 0.24 0.00 0.00 0.00 178.15 178.87 3bdm h MET 135 N -0.21 -0.20 -0.76 2.37 2.86 -1.06 -1.06 114.93 116.87 3bdm h MET 135 Ca -0.17 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.63 3bdm h MET 135 Cb 1.78 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 33.39 3bdm h MET 135 CO 0.19 -0.13 0.30 -1.35 1.06 0.00 0.00 176.91 176.98 3bdm h PRO 136 N -0.20 0.43 -0.38 -0.22 0.11 -1.79 0.65 132.00 130.59 3bdm h PRO 136 Ca 0.20 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.33 3bdm h PRO 136 Cb 0.55 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 3bdm h PRO 136 CO -0.63 0.29 0.14 0.35 -0.21 0.00 0.00 178.00 177.94 3bdm h PHE 137 N 0.45 0.26 -0.90 0.65 3.57 -1.41 -2.51 116.94 117.05 3bdm h PHE 137 Ca 0.42 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 3bdm h PHE 137 Cb 0.63 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3bdm h PHE 137 CO -0.16 0.11 0.49 -0.07 -2.23 0.00 0.00 178.31 176.44 3bdm h LEU 138 N 0.31 1.12 -1.86 0.59 4.07 -0.07 0.29 115.31 119.76 3bdm h LEU 138 Ca 0.17 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 3bdm h LEU 138 Cb 0.15 -0.29 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 3bdm h LEU 138 CO -0.17 0.91 -0.13 0.44 -1.08 0.00 0.00 178.44 178.40 3bdm h ASP 139 N 1.26 0.00 0.05 -0.43 3.32 -0.72 0.51 116.42 120.41 3bdm h ASP 139 Ca 0.31 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 3bdm h ASP 139 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3bdm h ASP 139 CO -0.05 0.13 -0.80 -1.13 -1.72 0.00 0.00 179.24 175.67 3bdm h ASN 140 N 0.00 0.18 0.84 6.45 -0.00 -0.92 -1.11 115.58 121.01 3bdm h ASN 140 Ca -0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 56.30 55.46 3bdm h ASN 140 Cb 0.28 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 3bdm h ASN 140 CO 0.02 1.34 -0.87 0.00 -0.00 0.00 0.00 177.43 177.92 3bdm n GLN 141 N -4.31 0.43 -0.06 6.67 1.13 0.01 -2.51 117.38 118.75 3bdm n GLN 141 Ca -0.20 0.08 -0.03 0.00 -1.94 0.00 0.00 57.00 54.91 3bdm n GLN 141 Cb 0.70 -1.73 -0.12 0.00 0.11 0.00 0.00 30.24 29.19 3bdm n GLN 141 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3bdm n VAL 142 N -2.33 0.76 -0.45 5.09 0.31 0.16 -4.62 118.33 117.25 3bdm n VAL 142 Ca 0.02 -0.57 0.01 0.00 -0.01 0.00 0.00 64.34 63.79 3bdm n VAL 142 Cb 0.49 -0.41 0.02 0.00 -0.91 0.00 0.00 33.84 33.03 3bdm n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3bdm n ASN 143 N -2.43 1.48 -4.09 4.52 3.02 -1.21 -4.96 115.26 111.59 3bdm n ASN 143 Ca -0.19 -1.90 -0.31 0.00 -0.03 0.00 0.00 54.58 52.16 3bdm n ASN 143 Cb 0.84 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 3bdm n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3bdm n PHE 144 N -0.47 -1.69 -2.33 3.10 3.72 -1.04 -4.93 117.46 113.81 3bdm n PHE 144 Ca 0.02 0.77 -0.39 0.00 -0.05 0.00 0.00 57.45 57.80 3bdm n PHE 144 Cb 0.38 -3.36 -0.03 0.00 -0.94 0.00 0.00 39.48 35.53 3bdm n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3bdm s LYS 14 N -6.77 4.25 -0.68 -1.08 -0.14 -0.43 -2.88 119.74 112.01 3bdm s LYS 14 Ca 0.34 1.86 0.00 0.00 -1.36 0.00 0.00 55.97 56.81 3bdm s LYS 14 Cb -0.19 -2.84 0.00 0.00 -1.68 0.00 0.00 37.83 33.12 3bdm s LYS 14 CO 0.91 -0.16 0.00 0.09 -0.76 0.00 0.00 175.35 175.43 3bdm n ASN 14 N 0.43 -5.69 -4.66 2.83 4.13 -1.26 -4.71 115.26 106.33 3bdm n ASN 14 Ca 0.02 0.16 -0.35 0.00 1.68 0.00 0.00 54.58 56.10 3bdm n ASN 14 Cb 0.46 -3.75 -0.09 0.00 -1.54 0.00 0.00 39.78 34.85 3bdm n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3bdm s GLN 14 N -2.47 3.83 0.33 3.52 -0.21 -1.14 -5.09 119.66 118.43 3bdm s GLN 14 Ca 0.00 -0.33 0.06 0.00 0.02 0.00 0.00 55.36 55.11 3bdm s GLN 14 Cb 0.00 -3.16 -0.06 0.00 1.00 0.00 0.00 33.01 30.78 3bdm s GLN 14 CO 0.00 0.36 -0.01 0.71 -2.12 0.00 0.00 175.29 174.23 3bdm s TYR 14 N 0.12 2.12 -0.17 0.91 2.02 -1.26 -1.91 117.35 119.19 3bdm s TYR 14 Ca 0.05 -0.75 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 3bdm s TYR 14 Cb -0.12 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3bdm s TYR 14 CO 0.01 0.27 1.21 -1.21 -1.57 0.00 0.00 175.55 174.25 3bdm s GLU 14 N -3.76 4.25 0.37 -0.62 0.41 0.14 -4.59 118.70 114.89 3bdm s GLU 14 Ca 0.33 1.59 -0.24 0.00 -0.41 0.00 0.00 54.97 56.24 3bdm s GLU 14 Cb 0.06 -3.73 -0.13 0.00 -1.78 0.00 0.00 34.13 28.56 3bdm s GLU 14 CO 0.15 -0.67 0.70 -2.30 -0.49 0.00 0.00 175.26 172.64 3bdm n PRO 14 N 6.46 0.76 0.00 0.39 -0.02 -1.26 -2.29 135.00 139.04 3bdm n PRO 14 Ca 0.13 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3bdm n PRO 14 Cb 0.45 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3bdm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdm n GLY 14 N 1.62 1.18 0.10 -1.23 0.00 -1.26 -4.74 105.19 100.86 3bdm n GLY 14 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3bdm n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bdm n THR 14 N 0.00 0.00 -3.58 2.61 -2.24 -0.97 -4.72 114.28 105.38 3bdm n THR 14 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3bdm n THR 14 Cb 0.00 -0.40 0.07 0.00 -2.10 0.00 0.00 70.33 67.90 3bdm n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3bdm n ASN 1 N -0.29 -2.88 -4.11 3.42 4.05 -1.26 -2.56 115.26 111.63 3bdm n ASN 1 Ca 0.00 -0.68 -0.30 0.00 0.45 0.00 0.00 54.58 54.06 3bdm n ASN 1 Cb 0.00 -4.70 -0.05 0.00 1.23 0.00 0.00 39.78 36.26 3bdm n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3bdm n GLY 14 N -1.47 -0.25 0.00 8.20 0.00 -1.26 -4.82 105.19 105.59 3bdm n GLY 14 Ca -0.21 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3bdm n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bdm n LYS 14 N -4.52 1.35 -1.86 1.61 4.76 -1.06 -5.08 118.16 113.36 3bdm n LYS 14 Ca -0.30 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.14 3bdm n LYS 14 Cb 0.68 -0.92 -0.00 0.00 -1.84 0.00 0.00 35.03 32.95 3bdm n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3bdm n VAL 14 N -1.32 0.00 -3.92 -0.18 0.31 -1.26 -5.07 118.33 106.89 3bdm n VAL 14 Ca 0.00 -0.04 -0.37 0.00 -0.01 0.00 0.00 64.34 63.92 3bdm n VAL 14 Cb 0.06 -0.17 -0.06 0.00 -0.91 0.00 0.00 33.84 32.76 3bdm n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3bdm s LYS 14 N -2.03 3.40 0.49 5.55 2.20 -0.80 0.25 119.74 128.80 3bdm s LYS 14 Ca 0.00 -0.15 -0.23 0.00 -0.36 0.00 0.00 55.97 55.23 3bdm s LYS 14 Cb -0.00 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 33.10 3bdm s LYS 14 CO 0.00 0.77 1.26 -1.25 -0.36 0.00 0.00 175.35 175.78 3bdm s PRO 14 N -1.02 3.50 0.00 4.03 0.04 -1.26 -4.91 135.00 135.38 3bdm s PRO 14 Ca 0.15 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3bdm s PRO 14 Cb -0.12 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3bdm s PRO 14 CO 0.04 -0.84 1.75 1.28 0.04 0.00 0.00 177.00 179.27 3bdm n LEU 14 N -0.68 4.72 -4.50 -3.56 4.77 -1.26 -4.94 117.00 111.53 3bdm n LEU 14 Ca 0.08 -2.14 -0.49 0.00 -0.03 0.00 0.00 56.01 53.43 3bdm n LEU 14 Cb 0.46 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 3bdm n LEU 14 CO 0.51 0.88 0.39 1.17 -1.33 0.00 0.00 177.39 179.01 3bdm n LYS 14 N 1.39 0.62 -3.57 3.23 4.81 -1.26 -4.89 118.16 118.49 3bdm n LYS 14 Ca 0.00 0.22 -0.34 0.00 -0.87 0.00 0.00 58.31 57.32 3bdm n LYS 14 Cb 0.47 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.96 3bdm n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3bdm s TYR 145 N -0.66 3.54 0.37 5.64 6.14 -1.26 -5.07 117.35 126.05 3bdm s TYR 145 Ca 0.69 0.76 -0.24 0.00 0.64 0.00 0.00 57.07 58.91 3bdm s TYR 145 Cb -0.90 -2.14 -0.10 0.00 0.42 0.00 0.00 41.96 39.23 3bdm s TYR 145 CO 0.56 0.46 0.98 -0.51 0.64 0.00 0.00 175.55 177.68 3bdm s LEU 146 N -2.20 4.20 0.65 6.97 1.43 -1.26 -5.04 118.68 123.43 3bdm s LEU 146 Ca 0.37 1.87 -0.03 0.00 -1.03 0.00 0.00 54.13 55.31 3bdm s LEU 146 Cb -0.13 -4.17 0.06 0.00 0.03 0.00 0.00 46.19 41.98 3bdm s LEU 146 CO 0.20 -0.25 0.92 -0.94 0.23 0.00 0.00 176.35 176.51 3bdm s SER 147 N -1.71 4.90 0.25 2.29 1.04 -1.26 -4.44 113.70 114.76 3bdm s SER 147 Ca 0.55 0.13 -0.05 0.00 0.48 0.00 0.00 55.95 57.07 3bdm s SER 147 Cb -0.18 -0.83 0.28 0.00 0.10 0.00 0.00 66.02 65.39 3bdm s SER 147 CO 0.23 -1.47 1.81 1.62 0.98 0.00 0.00 173.24 176.41 3bdm h VAL 148 N -0.33 1.24 -0.27 5.02 3.04 -1.98 -1.18 116.25 121.79 3bdm h VAL 148 Ca -0.42 -0.78 -0.01 0.00 -1.01 0.00 0.00 66.70 64.47 3bdm h VAL 148 Cb 1.30 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 3bdm h VAL 148 CO 0.53 0.31 0.13 -0.33 -1.01 0.00 0.00 177.57 177.21 3bdm h GLU 149 N 1.02 0.38 -0.52 4.17 3.07 -2.00 -1.05 114.58 119.65 3bdm h GLU 149 Ca 0.23 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 3bdm h GLU 149 Cb 0.22 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3bdm h GLU 149 CO -0.02 0.36 -0.01 1.49 -1.40 0.00 0.00 179.01 179.43 3bdm h GLU 150 N 0.30 0.90 -0.48 2.33 4.57 -1.90 -2.95 114.58 117.35 3bdm h GLU 150 Ca 0.09 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 57.89 3bdm h GLU 150 Cb 0.10 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3bdm h GLU 150 CO -0.01 0.90 -0.15 0.28 -1.18 0.00 0.00 179.01 178.85 3bdm h VAL 151 N 0.83 1.27 0.00 0.32 2.07 -0.94 -2.54 116.25 117.25 3bdm h VAL 151 Ca 0.15 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 3bdm h VAL 151 Cb 0.51 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3bdm h VAL 151 CO 0.03 0.45 -0.13 0.40 0.02 0.00 0.00 177.57 178.34 3bdm h ILE 152 N 0.82 0.92 0.00 4.57 1.08 -1.05 -2.33 117.51 121.52 3bdm h ILE 152 Ca 0.12 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3bdm h ILE 152 Cb 0.70 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 3bdm h ILE 152 CO 0.05 0.12 -0.00 0.11 -0.69 0.00 0.00 178.15 177.74 3bdm h LYS 153 N 0.00 -0.00 0.00 2.37 1.57 -1.30 -1.77 116.57 117.44 3bdm h LYS 153 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bdm h LYS 153 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3bdm h LYS 153 CO 0.02 0.38 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.19 3bdm h LEU 154 N -0.39 0.00 0.05 2.94 3.38 -1.32 0.11 115.31 120.08 3bdm h LEU 154 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3bdm h LEU 154 Cb 0.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 3bdm h LEU 154 CO 0.00 0.02 -0.77 0.58 0.09 0.00 0.00 178.44 178.36 3bdm h VAL 155 N 0.00 1.42 -0.24 1.22 2.07 -1.19 -0.22 116.25 119.31 3bdm h VAL 155 Ca -0.00 -2.26 -0.05 0.00 0.82 0.00 0.00 66.70 65.21 3bdm h VAL 155 Cb 0.05 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3bdm h VAL 155 CO 0.00 0.66 -0.05 0.03 0.02 0.00 0.00 177.57 178.23 3bdm h ARG 156 N -0.10 0.46 -0.50 1.57 3.08 -0.56 -1.94 114.38 116.39 3bdm h ARG 156 Ca -0.11 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 3bdm h ARG 156 Cb 1.50 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.50 3bdm h ARG 156 CO 0.15 0.68 0.09 -0.44 -1.07 0.00 0.00 179.97 179.38 3bdm h ASP 157 N 0.20 0.73 -0.82 7.04 3.45 -0.89 -0.20 116.42 125.93 3bdm h ASP 157 Ca 0.06 -0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 3bdm h ASP 157 Cb 0.51 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.05 3bdm h ASP 157 CO 0.02 0.74 0.42 0.28 -1.57 0.00 0.00 179.24 179.13 3bdm h SER 158 N 0.74 1.05 0.91 6.45 0.02 -0.81 -1.63 113.55 120.28 3bdm h SER 158 Ca 0.16 -0.12 -0.22 0.00 -0.84 0.00 0.00 61.79 60.77 3bdm h SER 158 Cb 0.32 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3bdm h SER 158 CO 0.00 0.87 -1.08 -0.26 -1.14 0.00 0.00 176.83 175.22 3bdm h PHE 159 N 1.15 0.07 -0.04 3.45 -1.00 -0.90 -1.53 116.94 118.14 3bdm h PHE 159 Ca 0.28 -0.05 -0.15 0.00 2.81 0.00 0.00 57.97 60.86 3bdm h PHE 159 Cb 0.08 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3bdm h PHE 159 CO 0.01 1.04 -0.67 1.79 -1.61 0.00 0.00 178.31 178.87 3bdm h THR 160 N 0.01 1.43 -0.14 -1.55 1.35 -0.97 0.11 112.91 113.15 3bdm h THR 160 Ca -0.05 -2.18 -0.23 0.00 -0.55 0.00 0.00 66.41 63.41 3bdm h THR 160 Cb 1.81 2.15 0.01 0.00 -1.73 0.00 0.00 68.15 70.40 3bdm h THR 160 CO 0.14 0.63 -0.82 0.28 -0.25 0.00 0.00 175.52 175.51 3bdm h SER 161 N 0.11 0.95 -0.27 5.36 0.02 -1.32 -2.93 113.55 115.47 3bdm h SER 161 Ca -0.01 -0.64 -0.12 0.00 -0.84 0.00 0.00 61.79 60.17 3bdm h SER 161 Cb 1.20 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3bdm h SER 161 CO 0.10 1.44 -0.26 0.00 -1.14 0.00 0.00 176.83 176.97 3bdm h ALA 162 N 0.53 0.85 0.00 3.77 0.00 -1.16 -2.63 119.26 120.62 3bdm h ALA 162 Ca -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3bdm h ALA 162 Cb 1.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3bdm h ALA 162 CO 0.17 0.64 -0.06 1.15 0.00 0.00 0.00 179.25 181.14 3bdm h THR 163 N 0.65 0.65 -0.20 0.00 2.02 -0.94 -1.14 112.91 113.95 3bdm h THR 163 Ca 0.08 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 3bdm h THR 163 Cb 0.78 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3bdm h THR 163 CO 0.06 0.06 -0.21 -0.33 0.37 0.00 0.00 175.52 175.47 3bdm h GLU 164 N 0.00 0.50 -0.01 6.66 4.39 -1.28 -3.36 114.58 121.48 3bdm h GLU 164 Ca -0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3bdm h GLU 164 Cb 0.15 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3bdm h GLU 164 CO 0.01 0.85 -0.49 0.54 -1.16 0.00 0.00 179.01 178.76 3bdm n ARG 165 N -4.43 1.44 -4.17 2.33 5.12 -1.07 -4.91 116.66 110.98 3bdm n ARG 165 Ca -0.05 -0.69 -0.33 0.00 -1.93 0.00 0.00 57.85 54.85 3bdm n ARG 165 Cb 0.41 -1.35 -0.16 0.00 -1.16 0.00 0.00 32.46 30.21 3bdm n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3bdm s HIS 166 N -2.24 2.79 0.25 -1.55 2.46 -0.45 -5.00 115.29 111.55 3bdm s HIS 166 Ca 0.13 -1.52 0.37 0.00 0.47 0.00 0.00 55.06 54.51 3bdm s HIS 166 Cb 0.15 -1.93 1.73 0.00 -0.13 0.00 0.00 32.58 32.39 3bdm s HIS 166 CO 0.52 -0.75 2.09 -0.84 -2.47 0.00 0.00 174.74 173.30 3bdm h ILE 167 N 5.89 0.00 -0.01 0.89 3.07 -1.87 -2.66 117.51 122.83 3bdm h ILE 167 Ca -0.44 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 65.69 3bdm h ILE 167 Cb 1.15 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3bdm h ILE 167 CO 0.63 0.00 -0.26 0.00 -1.05 0.00 0.00 178.15 177.46 3bdm n GLN 168 N -2.99 0.97 -4.21 0.16 6.02 -1.26 -4.85 117.38 111.22 3bdm n GLN 168 Ca -0.01 -0.61 -0.34 0.00 -0.01 0.00 0.00 57.00 56.03 3bdm n GLN 168 Cb 0.20 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.86 3bdm n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3bdm s VAL 169 N -2.45 4.25 -3.69 5.09 1.01 -1.00 -4.03 120.40 119.57 3bdm s VAL 169 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3bdm s VAL 169 Cb 0.19 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3bdm s VAL 169 CO 0.51 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.69 3bdm n GLY 170 N 3.61 -0.55 5.00 4.51 0.00 -1.26 -4.48 105.19 112.02 3bdm n GLY 170 Ca -0.17 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3bdm n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdm n ASP 171 N 0.11 0.00 -3.60 1.61 8.00 -0.51 -4.12 116.55 118.05 3bdm n ASP 171 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3bdm n ASP 171 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3bdm n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bdm s GLY 172 N 0.00 -0.40 -0.30 0.44 0.00 -1.26 -1.69 107.32 104.10 3bdm s GLY 172 Ca 0.00 0.66 0.02 0.00 0.00 0.00 0.00 44.72 45.41 3bdm s GLY 172 CO 0.00 0.37 0.01 -2.27 0.00 0.00 0.00 173.10 171.21 3bdm s LEU 173 N -1.75 3.74 -0.25 0.66 2.96 0.53 -0.69 118.68 123.87 3bdm s LEU 173 Ca -0.07 -1.77 -0.12 0.00 -0.22 0.00 0.00 54.13 51.95 3bdm s LEU 173 Cb -0.01 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 45.22 3bdm s LEU 173 CO 0.01 -0.33 0.22 -0.70 -1.32 0.00 0.00 176.35 174.23 3bdm s GLU 174 N 1.14 4.03 -0.08 1.98 2.12 -0.75 -1.00 118.70 126.14 3bdm s GLU 174 Ca 0.04 -0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.21 3bdm s GLU 174 Cb -0.19 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 3bdm s GLU 174 CO -0.10 -0.06 -0.22 0.42 -0.54 0.00 0.00 175.26 174.76 3bdm s ILE 175 N 1.42 2.32 -0.15 -3.70 1.01 0.39 -1.90 121.20 120.59 3bdm s ILE 175 Ca 0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 3bdm s ILE 175 Cb -0.15 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3bdm s ILE 175 CO 0.08 0.56 -0.10 -0.76 0.00 0.00 0.00 174.94 174.72 3bdm s LEU 176 N -0.01 2.83 -0.20 2.97 1.02 -0.76 -0.58 118.68 123.95 3bdm s LEU 176 Ca -0.07 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.73 3bdm s LEU 176 Cb -0.15 -1.66 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 3bdm s LEU 176 CO 0.05 0.13 -0.05 -0.63 0.02 0.00 0.00 176.35 175.87 3bdm s ILE 177 N 0.58 3.46 -0.24 -0.59 1.09 0.72 -1.67 121.20 124.55 3bdm s ILE 177 Ca -0.06 -0.48 -0.08 0.00 -1.10 0.00 0.00 60.65 58.93 3bdm s ILE 177 Cb -0.15 -2.55 -0.04 0.00 -1.06 0.00 0.00 42.46 38.66 3bdm s ILE 177 CO 0.03 0.44 0.09 -0.69 -0.10 0.00 0.00 174.94 174.72 3bdm s VAL 178 N 1.17 4.61 0.35 2.92 1.01 0.61 -1.15 120.40 129.93 3bdm s VAL 178 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3bdm s VAL 178 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3bdm s VAL 178 CO -0.01 0.34 0.11 0.42 0.00 0.00 0.00 175.10 175.97 3bdm s THR 179 N 1.40 0.73 0.51 3.92 -4.23 0.00 -1.77 115.64 116.21 3bdm s THR 179 Ca 0.06 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.74 3bdm s THR 179 Cb -0.15 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.42 3bdm s THR 179 CO 0.05 0.00 2.13 0.07 -0.54 0.00 0.00 174.62 176.33 3bdm h LYS 180 N 2.01 0.00 0.00 3.99 2.10 -1.93 -0.28 116.57 122.46 3bdm h LYS 180 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 3bdm h LYS 180 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3bdm h LYS 180 CO 0.60 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 177.84 3bdm n ASP 182 N -4.41 0.00 0.00 7.07 8.00 -1.26 -5.00 116.55 120.95 3bdm n ASP 182 Ca -0.03 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.74 3bdm n ASP 182 Cb 0.12 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3bdm n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bdm n GLY 183 N 0.56 0.51 3.37 0.44 0.00 -0.12 -5.04 105.19 104.91 3bdm n GLY 183 Ca 0.18 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 3bdm n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 184 N -0.09 2.93 0.19 1.61 1.01 -1.26 -0.82 120.40 123.98 3bdm s VAL 184 Ca 0.00 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.36 3bdm s VAL 184 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3bdm s VAL 184 CO 0.00 0.54 -0.20 -0.60 0.00 0.00 0.00 175.10 174.84 3bdm s ARG 185 N 0.14 1.42 0.03 2.72 3.52 -0.30 -4.95 118.95 121.53 3bdm s ARG 185 Ca -0.07 -1.51 0.08 0.00 -0.13 0.00 0.00 55.73 54.10 3bdm s ARG 185 Cb -0.15 -1.56 -0.03 0.00 -1.56 0.00 0.00 34.95 31.65 3bdm s ARG 185 CO 0.05 0.32 -0.25 0.15 -0.81 0.00 0.00 175.30 174.76 3bdm s LYS 186 N -2.90 1.80 0.01 5.12 1.02 -1.26 -0.20 119.74 123.32 3bdm s LYS 186 Ca 0.20 -1.02 0.03 0.00 0.02 0.00 0.00 55.97 55.20 3bdm s LYS 186 Cb -0.06 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 3bdm s LYS 186 CO 0.09 0.50 -0.09 -1.21 -0.92 0.00 0.00 175.35 173.71 3bdm s GLU 187 N -1.02 0.72 -0.02 1.68 2.02 0.26 -4.99 118.70 117.34 3bdm s GLU 187 Ca 0.10 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.69 3bdm s GLU 187 Cb -0.10 -0.68 0.00 0.00 0.10 0.00 0.00 34.13 33.45 3bdm s GLU 187 CO 0.01 0.18 -0.08 0.12 0.02 0.00 0.00 175.26 175.51 3bdm s PHE 188 N -0.43 0.86 0.03 1.61 5.36 -1.26 -0.46 117.98 123.68 3bdm s PHE 188 Ca 0.02 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 3bdm s PHE 188 Cb -0.05 -0.62 -0.02 0.00 -0.34 0.00 0.00 43.02 42.00 3bdm s PHE 188 CO 0.00 -0.09 -0.06 0.71 -1.46 0.00 0.00 175.22 174.32 3bdm s TYR 189 N 0.20 0.53 0.49 10.12 1.51 -0.17 -4.97 117.35 125.06 3bdm s TYR 189 Ca -0.03 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.56 3bdm s TYR 189 Cb -0.08 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.40 3bdm s TYR 189 CO 0.00 -0.08 0.80 -1.21 -1.11 0.00 0.00 175.55 173.95 3bdm s GLU 190 N -1.22 3.57 0.12 -0.62 2.02 -1.26 0.20 118.70 121.51 3bdm s GLU 190 Ca -0.08 0.27 0.04 0.00 0.02 0.00 0.00 54.97 55.22 3bdm s GLU 190 Cb -0.08 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3bdm s GLU 190 CO 0.00 -0.22 -0.10 -0.51 0.02 0.00 0.00 175.26 174.45 3bdm s LEU 191 N -4.69 2.47 0.40 1.80 1.43 -0.68 -4.72 118.68 114.69 3bdm s LEU 191 Ca 0.48 -0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 3bdm s LEU 191 Cb -0.10 -0.34 -0.11 0.00 0.03 0.00 0.00 46.19 45.66 3bdm s LEU 191 CO 0.44 -0.29 0.97 0.29 0.23 0.00 0.00 176.35 177.99 3bdm n LYS 192 N 0.17 1.28 -0.54 1.70 5.02 -1.26 -3.09 118.16 121.43 3bdm n LYS 192 Ca -0.13 0.46 0.09 0.00 -2.02 0.00 0.00 58.31 56.71 3bdm n LYS 192 Cb 0.59 -1.96 0.33 0.00 -0.02 0.00 0.00 35.03 33.97 3bdm n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3bdm n ARG 193 N 0.28 3.38 0.00 1.97 1.74 -1.26 -1.42 116.66 121.34 3bdm n ARG 193 Ca 0.10 -2.62 0.14 0.00 -0.77 0.00 0.00 57.85 54.69 3bdm n ARG 193 Cb 0.38 -1.80 0.57 0.00 -1.02 0.00 0.00 32.46 30.59 3bdm n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71