#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n THR 6 N 0.00 0.00 -0.89 2.61 -2.24 -1.26 -4.95 114.28 107.55 3bdm n THR 6 Ca 0.00 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 3bdm n THR 6 Cb 0.00 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3bdm n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdm n GLY 7 N -0.35 0.51 0.01 3.38 0.00 -1.26 -4.90 105.19 102.58 3bdm n GLY 7 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3bdm n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bdm n TYR 8 N -2.89 0.00 -0.96 1.61 4.01 -1.26 -2.69 117.16 114.98 3bdm n TYR 8 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 3bdm n TYR 8 Cb 0.00 -0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.14 3bdm n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3bdm n ASP 9 N -0.49 2.14 -0.05 7.72 5.75 -1.26 -4.52 116.55 125.84 3bdm n ASP 9 Ca 0.00 -2.85 0.01 0.00 -0.01 0.00 0.00 54.79 51.94 3bdm n ASP 9 Cb 0.00 -0.35 -0.16 0.00 -1.03 0.00 0.00 41.12 39.58 3bdm n ASP 9 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3bdm n LEU 10 N -1.21 0.00 -4.45 -2.12 4.77 -1.09 -4.61 117.00 108.30 3bdm n LEU 10 Ca 0.13 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 3bdm n LEU 10 Cb 0.58 0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.77 3bdm n LEU 10 CO 0.01 0.23 -0.47 -0.44 -1.33 0.00 0.00 177.39 175.39 3bdm s SER 11 N -4.88 3.89 0.39 -1.43 0.01 -1.26 -5.06 113.70 105.36 3bdm s SER 11 Ca -0.09 -0.24 0.28 0.00 1.31 0.00 0.00 55.95 57.21 3bdm s SER 11 Cb 0.10 -0.84 1.33 0.00 0.21 0.00 0.00 66.02 66.81 3bdm s SER 11 CO 0.83 0.33 1.84 -1.13 0.41 0.00 0.00 173.24 175.52 3bdm h ASN 12 N 5.47 0.00 -0.13 2.44 -1.24 -1.83 -3.18 115.58 117.11 3bdm h ASN 12 Ca -0.44 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.57 3bdm h ASN 12 Cb 1.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.20 3bdm h ASN 12 CO 0.50 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.10 3bdm n SER 13 N -2.51 2.33 -4.74 1.15 3.41 -1.26 -4.67 113.62 107.33 3bdm n SER 13 Ca -0.00 -1.99 -0.40 0.00 -0.26 0.00 0.00 58.87 56.22 3bdm n SER 13 Cb 0.15 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 3bdm n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bdm s VAL 14 N -0.99 4.48 -0.07 -3.33 1.01 -1.20 -4.97 120.40 115.33 3bdm s VAL 14 Ca 0.09 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.78 3bdm s VAL 14 Cb 0.05 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3bdm s VAL 14 CO 0.06 0.38 0.61 -0.36 0.00 0.00 0.00 175.10 175.78 3bdm s PHE 15 N -0.31 3.58 0.78 5.22 0.08 -1.26 -4.47 117.98 121.61 3bdm s PHE 15 Ca 0.43 1.13 -0.11 0.00 0.12 0.00 0.00 56.93 58.49 3bdm s PHE 15 Cb -0.23 -2.68 0.07 0.00 -0.57 0.00 0.00 43.02 39.61 3bdm s PHE 15 CO 0.28 0.18 1.15 -1.54 -0.10 0.00 0.00 175.22 175.18 3bdm s SER 16 N 0.50 4.72 0.65 1.36 1.04 -0.57 -4.86 113.70 116.54 3bdm s SER 16 Ca 0.32 0.81 0.35 0.00 0.48 0.00 0.00 55.95 57.91 3bdm s SER 16 Cb -0.17 -1.38 1.90 0.00 0.10 0.00 0.00 66.02 66.47 3bdm s SER 16 CO 0.16 -1.77 2.10 -0.65 0.98 0.00 0.00 173.24 174.06 3bdm h PRO 17 N -0.93 0.00 -0.70 4.02 0.11 -1.97 0.24 132.00 132.76 3bdm h PRO 17 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bdm h PRO 17 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3bdm h PRO 17 CO 0.65 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 3bdm n ASP 18 N -3.14 3.93 -0.12 -2.05 3.85 -1.26 -4.97 116.55 112.80 3bdm n ASP 18 Ca -0.01 -2.03 -0.01 0.00 -0.71 0.00 0.00 54.79 52.03 3bdm n ASP 18 Cb 0.28 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 3bdm n ASP 18 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bdm n GLY 19 N 1.53 0.41 3.88 6.12 0.00 0.83 -5.08 105.19 112.89 3bdm n GLY 19 Ca 0.24 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 3bdm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdm s ARG 20 N -4.14 2.30 -0.52 1.61 0.52 -1.26 -4.78 118.95 112.69 3bdm s ARG 20 Ca 0.00 -1.91 0.04 0.00 -0.52 0.00 0.00 55.73 53.34 3bdm s ARG 20 Cb -0.00 -2.15 0.16 0.00 0.52 0.00 0.00 34.95 33.48 3bdm s ARG 20 CO 0.00 -0.49 0.37 1.21 0.02 0.00 0.00 175.30 176.40 3bdm s ASN 21 N -4.22 3.15 0.30 0.23 3.84 -1.26 -1.50 114.94 115.47 3bdm s ASN 21 Ca 0.38 -3.21 0.06 0.00 0.21 0.00 0.00 52.86 50.30 3bdm s ASN 21 Cb -0.02 -0.98 0.79 0.00 -0.55 0.00 0.00 41.25 40.49 3bdm s ASN 21 CO 0.23 -0.17 1.70 -0.26 -2.79 0.00 0.00 177.10 175.82 3bdm h PHE 22 N 5.85 0.77 -0.86 0.43 0.04 -1.81 0.32 116.94 121.67 3bdm h PHE 22 Ca 0.16 0.04 0.08 0.00 2.80 0.00 0.00 57.97 61.04 3bdm h PHE 22 Cb 0.86 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.76 3bdm h PHE 22 CO 0.46 -0.02 0.56 1.96 -0.60 0.00 0.00 178.31 180.68 3bdm h GLN 23 N 0.45 0.88 -0.29 1.51 1.08 -1.85 0.34 115.11 117.23 3bdm h GLN 23 Ca 0.59 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.68 3bdm h GLN 23 Cb 1.14 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 3bdm h GLN 23 CO -0.52 0.58 -0.07 0.28 -0.95 0.00 0.00 178.83 178.16 3bdm h VAL 24 N 0.91 1.28 -0.92 -0.54 2.07 -1.27 -1.42 116.25 116.36 3bdm h VAL 24 Ca 0.38 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3bdm h VAL 24 Cb 0.31 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3bdm h VAL 24 CO -0.15 0.35 0.56 -0.33 0.02 0.00 0.00 177.57 178.02 3bdm h GLU 25 N 0.32 1.24 -0.23 1.57 5.08 -0.65 -0.79 114.58 121.12 3bdm h GLU 25 Ca 0.07 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3bdm h GLU 25 Cb 0.55 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3bdm h GLU 25 CO 0.03 0.86 -0.16 1.88 -1.00 0.00 0.00 179.01 180.61 3bdm h TYR 26 N 1.26 0.42 -1.01 4.33 0.05 -0.21 -1.51 116.97 120.30 3bdm h TYR 26 Ca 0.33 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 59.07 3bdm h TYR 26 Cb -0.07 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 37.50 3bdm h TYR 26 CO 0.00 0.55 0.66 0.00 -1.05 0.00 0.00 178.16 178.32 3bdm h ALA 27 N 1.47 1.31 -0.28 3.88 0.00 -0.04 0.25 119.26 125.86 3bdm h ALA 27 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3bdm h ALA 27 Cb 0.51 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3bdm h ALA 27 CO 0.03 0.60 0.12 0.28 0.00 0.00 0.00 179.25 180.28 3bdm h VAL 28 N 1.31 1.11 -0.54 0.00 2.07 -0.56 -1.17 116.25 118.47 3bdm h VAL 28 Ca 0.39 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3bdm h VAL 28 Cb -0.06 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3bdm h VAL 28 CO -0.11 0.12 0.31 0.11 0.02 0.00 0.00 177.57 178.03 3bdm h LYS 29 N 0.39 0.59 -0.69 1.57 1.79 -0.63 0.40 116.57 119.99 3bdm h LYS 29 Ca 0.10 -0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 3bdm h LYS 29 Cb 0.07 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 3bdm h LYS 29 CO -0.01 0.39 0.46 0.00 -1.08 0.00 0.00 179.45 179.21 3bdm h ALA 30 N 1.26 1.82 0.45 3.86 0.00 -1.03 -2.47 119.26 123.15 3bdm h ALA 30 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3bdm h ALA 30 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3bdm h ALA 30 CO -0.12 0.05 -0.22 0.28 0.00 0.00 0.00 179.25 179.24 3bdm h VAL 31 N 0.63 0.00 -1.04 0.00 2.07 -0.70 -3.23 116.25 113.98 3bdm h VAL 31 Ca 0.31 -0.50 0.30 0.00 0.82 0.00 0.00 66.70 67.64 3bdm h VAL 31 Cb 0.39 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3bdm h VAL 31 CO -0.10 0.00 0.79 -0.33 0.02 0.00 0.00 177.57 177.95 3bdm h GLU 32 N -1.10 0.00 -0.00 1.57 5.08 -0.92 0.89 114.58 120.10 3bdm h GLU 32 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3bdm h GLU 32 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3bdm h GLU 32 CO 0.10 0.00 -0.02 -1.71 -1.00 0.00 0.00 179.01 176.38 3bdm n ASN 33 N -4.09 0.05 -4.79 1.42 2.85 -0.94 -2.58 115.26 107.19 3bdm n ASN 33 Ca 0.22 0.04 -0.24 0.00 -0.11 0.00 0.00 54.58 54.48 3bdm n ASN 33 Cb 1.14 -0.32 0.08 0.00 1.24 0.00 0.00 39.78 41.92 3bdm n ASN 33 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3bdm s GLY 34 N -2.72 1.75 0.61 8.20 0.00 0.31 -4.75 107.32 110.71 3bdm s GLY 34 Ca 0.23 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.49 3bdm s GLY 34 CO 0.49 -0.81 1.05 2.41 0.00 0.00 0.00 173.10 176.24 3bdm n THR 35 N -2.85 3.97 -2.92 0.90 -1.04 -1.26 0.58 114.28 111.66 3bdm n THR 35 Ca 0.11 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.23 3bdm n THR 35 Cb 0.60 -1.25 -0.06 0.00 -1.82 0.00 0.00 70.33 67.81 3bdm n THR 35 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3bdm s THR 36 N -1.47 4.32 -0.04 12.58 -1.32 -1.26 -4.28 115.64 124.17 3bdm s THR 36 Ca 0.77 1.72 -0.09 0.00 -1.21 0.00 0.00 61.69 62.88 3bdm s THR 36 Cb -0.41 -4.09 0.01 0.00 -1.51 0.00 0.00 72.50 66.51 3bdm s THR 36 CO 0.46 0.36 0.20 -0.94 -2.21 0.00 0.00 174.62 172.49 3bdm s SER 37 N -1.37 -0.11 0.17 8.08 1.04 -0.65 -1.52 113.70 119.34 3bdm s SER 37 Ca 0.42 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.95 3bdm s SER 37 Cb -0.21 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 3bdm s SER 37 CO 0.26 -0.26 0.07 0.27 0.98 0.00 0.00 173.24 174.56 3bdm s ILE 38 N -0.74 0.19 -0.01 -1.02 -4.36 -0.05 -2.05 121.20 113.17 3bdm s ILE 38 Ca -0.08 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3bdm s ILE 38 Cb -0.05 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.44 3bdm s ILE 38 CO 0.01 -0.29 0.01 -0.83 0.24 0.00 0.00 174.94 174.08 3bdm s GLY 39 N -3.12 0.06 -0.15 6.27 0.00 0.02 -1.50 107.32 108.89 3bdm s GLY 39 Ca 0.30 0.10 -0.00 0.00 0.00 0.00 0.00 44.72 45.11 3bdm s GLY 39 CO 0.06 0.25 -0.07 -0.42 0.00 0.00 0.00 173.10 172.92 3bdm s ILE 40 N 0.39 1.14 -0.55 0.90 1.01 -0.35 -1.04 121.20 122.70 3bdm s ILE 40 Ca -0.03 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 3bdm s ILE 40 Cb -0.05 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 41.21 3bdm s ILE 40 CO -0.01 0.21 0.97 -0.75 0.00 0.00 0.00 174.94 175.36 3bdm s LYS 41 N 1.63 3.35 0.07 2.79 2.20 -0.17 -0.98 119.74 128.64 3bdm s LYS 41 Ca 0.02 -0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.42 3bdm s LYS 41 Cb -0.14 -4.05 0.02 0.00 -1.51 0.00 0.00 37.83 32.15 3bdm s LYS 41 CO -0.08 -1.50 0.10 0.00 -0.36 0.00 0.00 175.35 173.51 3bdm n ASN 43 N -3.03 0.41 -2.14 0.00 2.04 0.21 -3.81 115.26 108.95 3bdm n ASN 43 Ca 0.01 0.61 -0.02 0.00 -0.44 0.00 0.00 54.58 54.74 3bdm n ASN 43 Cb 0.05 -0.69 0.05 0.00 -2.53 0.00 0.00 39.78 36.66 3bdm n ASN 43 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 3bdm n ASP 44 N -1.97 -0.56 0.00 0.53 3.85 -1.26 -4.97 116.55 112.18 3bdm n ASP 44 Ca 0.02 -2.10 0.00 0.00 -0.71 0.00 0.00 54.79 52.00 3bdm n ASP 44 Cb 0.18 0.28 0.00 0.00 -1.35 0.00 0.00 41.12 40.23 3bdm n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bdm n GLY 45 N -0.77 -0.70 3.15 6.12 0.00 -1.25 0.14 105.19 111.88 3bdm n GLY 45 Ca -0.14 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 3bdm n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 46 N -3.00 0.11 -0.03 1.61 -7.23 0.44 -1.47 120.40 110.82 3bdm s VAL 46 Ca 0.00 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 3bdm s VAL 46 Cb 0.00 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.13 3bdm s VAL 46 CO 0.00 -0.50 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.38 3bdm s VAL 47 N -2.29 1.80 -0.06 1.32 1.01 -0.15 -0.74 120.40 121.28 3bdm s VAL 47 Ca -0.07 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.01 3bdm s VAL 47 Cb -0.03 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3bdm s VAL 47 CO -0.03 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 174.98 3bdm s PHE 48 N -0.32 2.46 0.03 5.22 0.40 0.15 -1.21 117.98 124.72 3bdm s PHE 48 Ca 0.03 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.70 3bdm s PHE 48 Cb -0.11 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 3bdm s PHE 48 CO 0.01 -0.18 -0.07 0.00 0.70 0.00 0.00 175.22 175.68 3bdm s ALA 49 N -0.20 0.50 -0.03 5.36 0.00 -0.56 -0.49 121.76 126.33 3bdm s ALA 49 Ca -0.02 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 3bdm s ALA 49 Cb -0.13 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3bdm s ALA 49 CO 0.03 -0.02 0.30 0.54 0.00 0.00 0.00 175.76 176.61 3bdm s VAL 50 N -1.25 0.05 -0.08 0.00 0.11 0.30 -0.87 120.40 118.65 3bdm s VAL 50 Ca -0.09 -0.40 -0.24 0.00 -2.93 0.00 0.00 61.98 58.32 3bdm s VAL 50 Cb -0.09 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 3bdm s VAL 50 CO 0.00 -0.22 0.73 -0.70 -3.33 0.00 0.00 175.10 171.59 3bdm s GLU 51 N -1.05 4.42 -0.42 1.54 2.12 -0.58 -2.37 118.70 122.36 3bdm s GLU 51 Ca -0.11 0.92 0.03 0.00 0.36 0.00 0.00 54.97 56.17 3bdm s GLU 51 Cb -0.05 -3.47 0.12 0.00 0.26 0.00 0.00 34.13 30.99 3bdm s GLU 51 CO 0.03 -0.01 0.16 0.15 -0.54 0.00 0.00 175.26 175.05 3bdm s LYS 52 N 1.05 1.60 0.14 4.30 1.02 -0.22 -4.69 119.74 122.95 3bdm s LYS 52 Ca 0.38 -2.14 -0.31 0.00 0.02 0.00 0.00 55.97 53.92 3bdm s LYS 52 Cb -0.18 -3.06 -0.11 0.00 -0.52 0.00 0.00 37.83 33.97 3bdm s LYS 52 CO 0.18 -1.04 1.77 -0.51 -0.92 0.00 0.00 175.35 174.83 3bdm s LEU 53 N 0.40 4.39 -0.97 3.17 1.43 -1.26 -0.29 118.68 125.55 3bdm s LEU 53 Ca 0.14 2.75 -0.20 0.00 -1.03 0.00 0.00 54.13 55.79 3bdm s LEU 53 Cb -0.22 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.53 3bdm s LEU 53 CO -0.05 -0.97 1.24 -0.63 0.23 0.00 0.00 176.35 176.17 3bdm s ILE 54 N 2.23 4.48 0.15 -0.59 -1.09 0.12 -4.81 121.20 121.70 3bdm s ILE 54 Ca 0.78 -1.35 0.33 0.00 -2.23 0.00 0.00 60.65 58.19 3bdm s ILE 54 Cb -0.46 -4.87 0.35 0.00 -1.58 0.00 0.00 42.46 35.89 3bdm s ILE 54 CO 0.34 -1.65 2.01 0.74 -1.23 0.00 0.00 174.94 175.16 3bdm h THR 55 N 6.11 0.00 -1.83 2.92 2.02 -1.92 -3.38 112.91 116.83 3bdm h THR 55 Ca 0.18 -0.15 0.25 0.00 0.77 0.00 0.00 66.41 67.45 3bdm h THR 55 Cb 1.02 0.98 -0.12 0.00 -1.74 0.00 0.00 68.15 68.29 3bdm h THR 55 CO 1.21 0.00 0.68 -0.94 0.37 0.00 0.00 175.52 176.84 3bdm s SER 56 N -4.86 -0.14 0.00 4.18 1.04 -1.26 -4.99 113.70 107.67 3bdm s SER 56 Ca -0.02 -0.19 0.22 0.00 0.48 0.00 0.00 55.95 56.44 3bdm s SER 56 Cb 0.10 0.29 1.08 0.00 0.10 0.00 0.00 66.02 67.59 3bdm s SER 56 CO 0.39 -0.52 1.72 0.29 0.98 0.00 0.00 173.24 176.09 3bdm n LYS 57 N -0.41 0.24 0.19 4.02 4.76 -1.26 -3.13 118.16 122.57 3bdm n LYS 57 Ca -0.07 0.09 0.07 0.00 -2.87 0.00 0.00 58.31 55.53 3bdm n LYS 57 Cb 0.61 -1.50 0.21 0.00 -1.84 0.00 0.00 35.03 32.51 3bdm n LYS 57 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3bdm h LEU 58 N 0.00 0.00 -9.48 -0.35 3.38 -1.98 -3.44 115.31 103.43 3bdm h LEU 58 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3bdm h LEU 58 Cb 0.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.02 3bdm h LEU 58 CO 0.00 0.30 0.87 -0.76 0.09 0.00 0.00 178.44 178.94 3bdm s LEU 59 N -6.49 4.35 0.15 1.67 1.02 -1.18 -4.95 118.68 113.25 3bdm s LEU 59 Ca 0.03 2.38 -0.31 0.00 0.02 0.00 0.00 54.13 56.25 3bdm s LEU 59 Cb 0.08 -3.57 -0.08 0.00 0.02 0.00 0.00 46.19 42.63 3bdm s LEU 59 CO 0.69 -0.78 1.37 -0.69 0.02 0.00 0.00 176.35 176.96 3bdm s VAL 60 N 1.97 3.23 0.44 -1.59 1.01 -1.26 -4.96 120.40 119.23 3bdm s VAL 60 Ca 0.69 0.93 -0.24 0.00 0.00 0.00 0.00 61.98 63.35 3bdm s VAL 60 Cb -0.38 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 3bdm s VAL 60 CO 0.30 0.10 1.23 -2.84 0.00 0.00 0.00 175.10 173.89 3bdm s PRO 61 N 0.60 3.83 -1.13 2.72 0.02 -1.26 -3.00 135.00 136.77 3bdm s PRO 61 Ca 0.62 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3bdm s PRO 61 Cb -0.37 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.58 3bdm s PRO 61 CO 0.34 -0.55 0.00 1.04 -0.33 0.00 0.00 177.00 177.50 3bdm n GLN 62 N -0.21 -1.23 0.00 5.54 1.13 -1.26 -4.91 117.38 116.44 3bdm n GLN 62 Ca 0.06 0.83 0.00 0.00 -1.94 0.00 0.00 57.00 55.95 3bdm n GLN 62 Cb 0.46 -4.99 0.00 0.00 0.11 0.00 0.00 30.24 25.82 3bdm n GLN 62 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3bdm n LYS 63 N -1.70 0.00 -1.04 -1.09 4.76 -1.16 -4.79 118.16 113.14 3bdm n LYS 63 Ca -0.11 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.19 3bdm n LYS 63 Cb 0.47 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.60 3bdm n LYS 63 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3bdm n ASN 64 N -1.02 -0.19 -4.73 4.39 3.02 -1.26 -4.85 115.26 110.63 3bdm n ASN 64 Ca 0.00 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 3bdm n ASN 64 Cb 0.00 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 3bdm n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bdm s VAL 65 N 6.98 3.08 -0.23 2.41 1.01 -1.26 -4.98 120.40 127.41 3bdm s VAL 65 Ca 0.38 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 63.01 3bdm s VAL 65 Cb 0.02 -3.53 -0.14 0.00 0.00 0.00 0.00 36.38 32.73 3bdm s VAL 65 CO 0.13 0.09 -0.07 0.29 0.00 0.00 0.00 175.10 175.54 3bdm n LYS 66 N 3.31 0.56 -1.68 2.72 5.02 -1.26 -4.96 118.16 121.87 3bdm n LYS 66 Ca 0.09 0.43 -0.44 0.00 -2.02 0.00 0.00 58.31 56.38 3bdm n LYS 66 Cb 0.42 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3bdm n LYS 66 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3bdm n ILE 67 N -4.38 1.35 -4.33 -0.18 5.41 -1.26 -4.88 119.36 111.09 3bdm n ILE 67 Ca -0.37 -0.34 -0.22 0.00 1.00 0.00 0.00 62.75 62.83 3bdm n ILE 67 Cb 0.71 -1.53 -0.11 0.00 -0.71 0.00 0.00 39.64 38.00 3bdm n ILE 67 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3bdm s GLN 68 N -0.96 1.25 -0.01 0.38 -0.21 0.10 -4.96 119.66 115.25 3bdm s GLN 68 Ca 0.63 -1.39 0.03 0.00 0.02 0.00 0.00 55.36 54.65 3bdm s GLN 68 Cb -0.61 -1.30 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 3bdm s GLN 68 CO 0.54 0.26 -0.07 0.54 -2.12 0.00 0.00 175.29 174.44 3bdm s VAL 69 N -2.04 3.61 -0.19 1.09 0.11 -1.26 0.91 120.40 122.62 3bdm s VAL 69 Ca 0.15 -0.73 -0.02 0.00 -2.93 0.00 0.00 61.98 58.45 3bdm s VAL 69 Cb -0.06 -2.55 -0.00 0.00 -1.53 0.00 0.00 36.38 32.25 3bdm s VAL 69 CO 0.06 0.44 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.47 3bdm s VAL 70 N -0.95 2.93 0.00 2.04 1.01 0.41 -4.95 120.40 120.88 3bdm s VAL 70 Ca 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3bdm s VAL 70 Cb -0.11 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3bdm s VAL 70 CO 0.06 0.47 0.00 -0.67 0.00 0.00 0.00 175.10 174.96 3bdm n ASP 71 N 4.54 0.00 0.00 3.32 2.03 -1.26 -2.39 116.55 122.79 3bdm n ASP 71 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 3bdm n ASP 71 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 3bdm n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3bdm n ARG 72 N 13.41 2.84 -0.03 -0.67 1.74 -1.26 -4.83 116.66 127.86 3bdm n ARG 72 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3bdm n ARG 72 Cb 0.00 -0.68 0.05 0.00 -1.02 0.00 0.00 32.46 30.81 3bdm n ARG 72 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3bdm n HIS 73 N -0.82 0.08 -5.04 -1.55 1.44 -1.25 -1.66 115.22 106.42 3bdm n HIS 73 Ca 0.00 -0.13 -0.32 0.00 -2.01 0.00 0.00 57.72 55.26 3bdm n HIS 73 Cb 0.00 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 29.95 3bdm n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3bdm s ILE 74 N -0.71 2.58 -0.03 0.61 1.01 -1.01 -3.75 121.20 119.90 3bdm s ILE 74 Ca 0.10 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.94 3bdm s ILE 74 Cb 0.07 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 3bdm s ILE 74 CO 0.10 0.56 -0.19 -0.83 0.00 0.00 0.00 174.94 174.58 3bdm s GLY 75 N -0.13 1.44 0.00 6.18 0.00 -0.58 -0.45 107.32 113.78 3bdm s GLY 75 Ca -0.03 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.67 3bdm s GLY 75 CO 0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 173.10 172.16 3bdm s VAL 77 N -0.39 -0.01 0.11 0.00 0.11 -0.28 0.00 120.40 119.94 3bdm s VAL 77 Ca 0.03 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3bdm s VAL 77 Cb -0.05 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 3bdm s VAL 77 CO -0.00 0.01 0.08 -0.72 -3.33 0.00 0.00 175.10 171.14 3bdm s TYR 78 N 0.46 0.60 -0.00 1.54 -0.85 -1.26 -0.27 117.35 117.56 3bdm s TYR 78 Ca -0.02 -1.03 0.08 0.00 -0.52 0.00 0.00 57.07 55.57 3bdm s TYR 78 Cb -0.04 -0.34 -0.02 0.00 0.38 0.00 0.00 41.96 41.94 3bdm s TYR 78 CO -0.02 -0.51 -0.24 -1.12 -1.52 0.00 0.00 175.55 172.13 3bdm s SER 79 N -2.97 2.86 0.00 -0.18 0.01 -0.66 -4.93 113.70 107.82 3bdm s SER 79 Ca 0.15 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3bdm s SER 79 Cb 0.07 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.99 3bdm s SER 79 CO -0.04 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.50 3bdm n GLY 80 N 2.32 0.03 3.55 3.44 0.00 -1.26 -2.18 105.19 111.09 3bdm n GLY 80 Ca -0.16 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 3bdm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 81 N 0.00 3.27 0.15 0.99 1.43 0.16 -4.87 118.68 119.80 3bdm s LEU 81 Ca 0.00 0.20 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 3bdm s LEU 81 Cb 0.00 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.64 3bdm s LEU 81 CO 0.00 -2.23 1.61 0.40 0.23 0.00 0.00 176.35 176.36 3bdm h ILE 82 N 6.69 0.28 -0.97 -0.59 1.08 -1.92 -0.86 117.51 121.22 3bdm h ILE 82 Ca -0.27 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.41 3bdm h ILE 82 Cb 1.14 0.28 -0.11 0.00 -3.07 0.00 0.00 36.82 35.06 3bdm h ILE 82 CO 1.22 0.00 0.56 -0.65 -0.69 0.00 0.00 178.15 178.59 3bdm h PRO 83 N -0.34 0.62 -0.78 2.37 0.11 -1.98 0.38 132.00 132.39 3bdm h PRO 83 Ca 0.12 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 3bdm h PRO 83 Cb 0.53 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 3bdm h PRO 83 CO -0.41 0.41 0.47 -0.44 -0.21 0.00 0.00 178.00 177.82 3bdm h ASP 84 N 0.64 0.93 -0.58 -2.05 3.45 -1.54 -2.26 116.42 115.02 3bdm h ASP 84 Ca 0.58 -0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.94 3bdm h ASP 84 Cb 1.00 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 3bdm h ASP 84 CO -0.43 0.72 0.17 1.23 -1.57 0.00 0.00 179.24 179.36 3bdm h GLY 85 N 1.10 0.98 0.97 2.75 0.00 0.36 -1.79 103.07 107.43 3bdm h GLY 85 Ca 0.28 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3bdm h GLY 85 CO -0.05 0.55 0.08 3.21 0.00 0.00 0.00 176.54 180.33 3bdm h ARG 86 N 0.82 0.77 -0.93 4.80 3.08 -1.14 -1.59 114.38 120.19 3bdm h ARG 86 Ca 0.19 -0.21 0.11 0.00 0.07 0.00 0.00 59.98 60.14 3bdm h ARG 86 Cb 0.30 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3bdm h ARG 86 CO -0.00 0.78 0.60 1.25 -1.07 0.00 0.00 179.97 181.53 3bdm h HIS 87 N 0.64 1.00 -0.43 3.04 2.76 -1.14 0.20 115.15 121.24 3bdm h HIS 87 Ca 0.14 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.20 3bdm h HIS 87 Cb 0.38 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3bdm h HIS 87 CO 0.03 0.44 -0.27 1.25 -1.30 0.00 0.00 177.93 178.07 3bdm h LEU 88 N 0.91 0.98 -0.22 0.26 5.85 -0.75 -2.60 115.31 119.73 3bdm h LEU 88 Ca 0.44 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3bdm h LEU 88 Cb 0.46 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3bdm h LEU 88 CO -0.20 1.19 0.02 0.58 -0.34 0.00 0.00 178.44 179.69 3bdm h VAL 89 N 0.77 1.24 -0.99 1.05 2.07 -0.33 -1.30 116.25 118.75 3bdm h VAL 89 Ca 0.09 -0.80 0.16 0.00 0.82 0.00 0.00 66.70 66.96 3bdm h VAL 89 Cb 0.86 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.87 3bdm h VAL 89 CO 0.08 0.25 0.62 0.78 0.02 0.00 0.00 177.57 179.31 3bdm h ASN 90 N 0.16 0.83 0.63 0.57 -0.26 -0.61 0.38 115.58 117.28 3bdm h ASN 90 Ca 0.07 0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.75 3bdm h ASN 90 Cb 0.35 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 3bdm h ASN 90 CO 0.01 0.37 -0.59 -0.09 -1.06 0.00 0.00 177.43 176.07 3bdm h ARG 91 N 0.85 0.00 -0.23 0.81 9.65 -1.05 -2.76 114.38 121.65 3bdm h ARG 91 Ca 0.53 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 59.22 3bdm h ARG 91 Cb 0.71 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3bdm h ARG 91 CO -0.31 0.59 -0.61 0.78 2.80 0.00 0.00 179.97 183.23 3bdm h GLY 92 N 1.84 0.83 0.93 2.80 0.00 0.67 -0.53 103.07 109.61 3bdm h GLY 92 Ca -0.01 -1.02 0.02 0.00 0.00 0.00 0.00 47.33 46.32 3bdm h GLY 92 CO 0.08 0.91 0.36 3.21 0.00 0.00 0.00 176.54 181.10 3bdm h ARG 93 N 0.57 0.70 -0.30 4.80 3.08 -0.26 0.40 114.38 123.37 3bdm h ARG 93 Ca -0.00 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 3bdm h ARG 93 Cb 1.20 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3bdm h ARG 93 CO 0.13 0.47 -0.47 0.93 -1.07 0.00 0.00 179.97 179.95 3bdm h GLU 94 N 0.72 0.84 -1.00 0.04 5.08 -1.47 -1.08 114.58 117.71 3bdm h GLU 94 Ca 0.22 -0.51 0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3bdm h GLU 94 Cb -0.03 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 3bdm h GLU 94 CO -0.08 1.14 0.64 1.49 -1.00 0.00 0.00 179.01 181.21 3bdm h GLU 95 N 0.61 1.10 -0.03 2.33 4.57 -0.51 0.63 114.58 123.28 3bdm h GLU 95 Ca 0.03 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 3bdm h GLU 95 Cb 1.07 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3bdm h GLU 95 CO 0.11 0.73 -0.25 0.00 -1.18 0.00 0.00 179.01 178.42 3bdm h ALA 96 N 1.48 0.07 -0.55 2.92 0.00 -0.06 -2.75 119.26 120.37 3bdm h ALA 96 Ca 0.44 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3bdm h ALA 96 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3bdm h ALA 96 CO -0.19 0.09 0.25 0.00 0.00 0.00 0.00 179.25 179.41 3bdm h ALA 97 N 0.35 0.70 -0.69 0.00 0.00 -0.83 -0.35 119.26 118.44 3bdm h ALA 97 Ca -0.02 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3bdm h ALA 97 Cb 0.94 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3bdm h ALA 97 CO 0.05 -0.11 0.40 1.03 0.00 0.00 0.00 179.25 180.62 3bdm h SER 98 N 0.48 0.62 0.05 0.00 0.87 -0.93 -0.16 113.55 114.48 3bdm h SER 98 Ca 0.25 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3bdm h SER 98 Cb 0.21 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3bdm h SER 98 CO -0.20 0.41 -0.02 0.15 -0.53 0.00 0.00 176.83 176.63 3bdm h PHE 99 N 0.75 -0.06 -0.68 2.24 3.04 -0.99 -3.08 116.94 118.15 3bdm h PHE 99 Ca 0.30 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.24 3bdm h PHE 99 Cb 0.14 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 3bdm h PHE 99 CO -0.06 0.15 0.41 -0.22 -2.02 0.00 0.00 178.31 176.57 3bdm h LYS 100 N -0.27 0.92 -0.48 1.11 3.64 -0.85 -1.05 116.57 119.60 3bdm h LYS 100 Ca -0.01 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.38 3bdm h LYS 100 Cb 0.24 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 31.78 3bdm h LYS 100 CO 0.01 0.66 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.62 3bdm h LYS 101 N 0.93 0.10 0.04 1.90 3.64 -1.01 0.87 116.57 123.04 3bdm h LYS 101 Ca 0.25 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.36 3bdm h LYS 101 Cb -0.03 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3bdm h LYS 101 CO -0.05 0.07 -1.32 1.25 -2.27 0.00 0.00 179.45 177.13 3bdm h LEU 102 N 0.10 0.14 -1.62 5.20 5.85 -1.43 -3.37 115.31 120.18 3bdm h LEU 102 Ca 0.24 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3bdm h LEU 102 Cb 0.36 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3bdm h LEU 102 CO -0.41 1.15 0.00 -1.22 -0.34 0.00 0.00 178.44 177.62 3bdm n TYR 103 N -3.32 0.03 0.00 1.25 4.01 -0.41 -4.99 117.16 113.73 3bdm n TYR 103 Ca -0.09 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3bdm n TYR 103 Cb 1.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 3bdm n TYR 103 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3bdm n LYS 104 N 0.80 0.00 -2.49 -0.72 3.00 0.30 -4.89 118.16 114.16 3bdm n LYS 104 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.98 3bdm n LYS 104 Cb 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 35.03 35.17 3bdm n LYS 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3bdm s THR 105 N 0.00 4.04 0.47 3.15 -1.32 -1.26 -4.87 115.64 115.85 3bdm s THR 105 Ca 0.00 1.58 -0.23 0.00 -1.21 0.00 0.00 61.69 61.82 3bdm s THR 105 Cb 0.00 -4.01 -0.09 0.00 -1.51 0.00 0.00 72.50 66.89 3bdm s THR 105 CO 0.00 0.18 1.08 -0.81 -2.21 0.00 0.00 174.62 172.86 3bdm n PRO 106 N 3.29 1.41 -1.71 7.08 -0.04 -1.26 -4.35 135.00 139.42 3bdm n PRO 106 Ca 0.06 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.61 3bdm n PRO 106 Cb 0.47 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 3bdm n PRO 106 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3bdm s ILE 107 N -1.31 2.55 0.34 0.52 2.07 -1.26 -4.96 121.20 119.15 3bdm s ILE 107 Ca 0.66 0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 59.64 3bdm s ILE 107 Cb -0.51 -3.02 -0.11 0.00 0.13 0.00 0.00 42.46 38.95 3bdm s ILE 107 CO 0.55 -0.00 1.54 -2.65 -1.91 0.00 0.00 174.94 172.46 3bdm n PRO 108 N 5.81 2.69 -0.28 3.50 -0.02 -1.26 -4.80 135.00 140.64 3bdm n PRO 108 Ca 0.18 0.95 0.06 0.00 -2.02 0.00 0.00 63.50 62.67 3bdm n PRO 108 Cb 0.38 -2.70 0.21 0.00 -0.02 0.00 0.00 33.50 31.37 3bdm n PRO 108 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3bdm h ILE 109 N 3.13 0.72 -0.35 4.25 5.03 -1.92 -0.13 117.51 128.25 3bdm h ILE 109 Ca -0.49 -0.20 0.02 0.00 -0.12 0.00 0.00 64.86 64.07 3bdm h ILE 109 Cb 1.23 0.09 -0.03 0.00 -3.03 0.00 0.00 36.82 35.09 3bdm h ILE 109 CO 0.71 0.11 0.18 -0.65 -0.68 0.00 0.00 178.15 177.81 3bdm h PRO 110 N 0.58 0.35 -0.78 2.37 0.11 -1.98 -0.80 132.00 131.86 3bdm h PRO 110 Ca 0.44 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.49 3bdm h PRO 110 Cb 0.63 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 3bdm h PRO 110 CO -0.37 0.23 0.34 0.00 -0.21 0.00 0.00 178.00 178.00 3bdm h ALA 111 N 1.18 1.13 -0.68 -0.75 0.00 -1.59 -2.11 119.26 116.43 3bdm h ALA 111 Ca 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3bdm h ALA 111 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3bdm h ALA 111 CO -0.10 0.64 0.25 0.35 0.00 0.00 0.00 179.25 180.39 3bdm h PHE 112 N 1.12 1.03 0.23 0.00 3.57 -0.68 -1.75 116.94 120.47 3bdm h PHE 112 Ca 0.26 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3bdm h PHE 112 Cb 0.17 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3bdm h PHE 112 CO 0.02 0.80 -0.26 0.00 -2.23 0.00 0.00 178.31 176.64 3bdm h ALA 113 N 1.28 -0.51 0.00 2.41 0.00 -0.48 -0.58 119.26 121.39 3bdm h ALA 113 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3bdm h ALA 113 Cb 0.22 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3bdm h ALA 113 CO -0.02 -0.82 -0.19 0.22 0.00 0.00 0.00 179.25 178.44 3bdm h ASP 114 N -0.53 0.00 -0.04 0.00 1.82 -1.30 0.30 116.42 116.68 3bdm h ASP 114 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3bdm h ASP 114 Cb 0.50 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 3bdm h ASP 114 CO -0.07 0.19 0.02 0.03 -1.61 0.00 0.00 179.24 177.80 3bdm h ARG 115 N 0.00 0.06 -0.74 0.28 2.47 -0.46 0.61 114.38 116.60 3bdm h ARG 115 Ca -0.00 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 3bdm h ARG 115 Cb 0.41 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 3bdm h ARG 115 CO 0.03 0.22 0.26 -0.07 0.56 0.00 0.00 179.97 180.97 3bdm h LEU 116 N -0.11 1.04 0.18 3.04 3.38 -0.25 -2.72 115.31 119.87 3bdm h LEU 116 Ca 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3bdm h LEU 116 Cb 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3bdm h LEU 116 CO -0.00 0.94 -0.09 1.23 0.09 0.00 0.00 178.44 180.61 3bdm h GLY 117 N 1.12 -0.26 1.50 0.83 0.00 -0.09 -1.21 103.07 104.95 3bdm h GLY 117 Ca 0.24 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3bdm h GLY 117 CO -0.01 -0.10 0.33 1.46 0.00 0.00 0.00 176.54 178.22 3bdm h GLN 118 N -0.25 0.67 0.36 4.80 1.08 -0.84 0.21 115.11 121.13 3bdm h GLN 118 Ca -0.02 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3bdm h GLN 118 Cb 0.19 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3bdm h GLN 118 CO 0.04 0.45 -0.17 -0.92 -0.95 0.00 0.00 178.83 177.27 3bdm h TYR 119 N 0.69 -0.44 -0.54 2.96 3.20 -1.22 -2.08 116.97 119.53 3bdm h TYR 119 Ca 0.19 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3bdm h TYR 119 Cb -0.08 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3bdm h TYR 119 CO 0.00 -0.12 0.33 0.28 -1.64 0.00 0.00 178.16 177.00 3bdm h VAL 120 N -0.78 1.16 -0.47 1.81 2.07 -0.93 -1.91 116.25 117.20 3bdm h VAL 120 Ca -0.05 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.21 3bdm h VAL 120 Cb 0.52 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3bdm h VAL 120 CO 0.08 0.16 0.32 -0.61 0.02 0.00 0.00 177.57 177.54 3bdm h GLN 121 N 0.72 0.26 0.00 1.57 -0.00 -0.60 -0.23 115.11 116.83 3bdm h GLN 121 Ca 0.19 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.80 3bdm h GLN 121 Cb -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.39 3bdm h GLN 121 CO -0.04 0.17 -0.11 0.00 0.00 0.00 0.00 178.83 178.86 3bdm h ALA 122 N 1.76 1.16 -0.22 3.38 0.00 -0.61 -2.77 119.26 121.97 3bdm h ALA 122 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3bdm h ALA 122 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3bdm h ALA 122 CO -0.04 0.13 0.00 0.72 0.00 0.00 0.00 179.25 180.06 3bdm n HIS 123 N -3.45 0.64 -0.72 0.00 8.25 -0.10 -2.99 115.22 116.84 3bdm n HIS 123 Ca -0.01 -0.23 0.02 0.00 -0.26 0.00 0.00 57.72 57.23 3bdm n HIS 123 Cb 0.26 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.22 3bdm n HIS 123 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3bdm n THR 124 N 0.23 0.82 -0.02 1.59 -2.24 -1.04 -3.61 114.28 110.01 3bdm n THR 124 Ca 0.10 -0.90 0.04 0.00 -2.27 0.00 0.00 64.05 61.02 3bdm n THR 124 Cb 0.49 0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 3bdm n THR 124 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3bdm n LEU 125 N -0.52 0.00 -4.23 3.22 4.77 -1.16 -4.59 117.00 114.49 3bdm n LEU 125 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.78 3bdm n LEU 125 Cb 0.45 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 3bdm n LEU 125 CO 0.00 0.09 -0.50 -0.31 -1.33 0.00 0.00 177.39 175.33 3bdm s TYR 126 N -2.94 1.64 -2.09 -1.77 2.02 -1.26 -4.77 117.35 108.18 3bdm s TYR 126 Ca -0.06 -0.38 0.14 0.00 -0.37 0.00 0.00 57.07 56.40 3bdm s TYR 126 Cb 0.09 -0.95 0.61 0.00 -0.40 0.00 0.00 41.96 41.31 3bdm s TYR 126 CO 0.66 0.10 1.43 0.27 -1.57 0.00 0.00 175.55 176.44 3bdm n ASN 127 N 1.66 0.98 -1.11 2.29 2.04 -1.26 -3.18 115.26 116.68 3bdm n ASN 127 Ca -0.18 -1.75 0.12 0.00 -0.44 0.00 0.00 54.58 52.33 3bdm n ASN 127 Cb 0.54 -0.09 0.19 0.00 -2.53 0.00 0.00 39.78 37.89 3bdm n ASN 127 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3bdm n SER 128 N -0.07 3.37 -4.17 0.53 3.41 -1.26 -4.68 113.62 110.74 3bdm n SER 128 Ca 0.12 -1.99 -0.11 0.00 -0.26 0.00 0.00 58.87 56.63 3bdm n SER 128 Cb 0.19 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 3bdm n SER 128 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3bdm s VAL 129 N -1.56 0.71 0.01 -3.33 -7.23 -1.19 -5.16 120.40 102.65 3bdm s VAL 129 Ca 0.36 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 3bdm s VAL 129 Cb 0.22 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3bdm s VAL 129 CO 0.31 -0.87 0.00 -0.60 -0.31 0.00 0.00 175.10 173.63 3bdm s ARG 130 N -3.83 2.75 0.81 4.82 3.52 -1.26 -4.77 118.95 120.99 3bdm s ARG 130 Ca 0.12 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 54.97 3bdm s ARG 130 Cb 0.05 -2.65 0.08 0.00 -1.56 0.00 0.00 34.95 30.87 3bdm s ARG 130 CO -0.04 0.61 1.09 -2.14 -0.81 0.00 0.00 175.30 174.01 3bdm s PRO 131 N -1.66 1.99 -0.03 5.12 0.02 -1.24 -4.90 135.00 134.30 3bdm s PRO 131 Ca 0.20 0.98 -0.30 0.00 0.02 0.00 0.00 61.00 61.90 3bdm s PRO 131 Cb -0.12 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 3bdm s PRO 131 CO 0.11 -1.78 1.28 -0.06 -0.33 0.00 0.00 177.00 176.23 3bdm s PHE 132 N -2.96 3.06 -0.56 6.54 0.40 -1.26 -4.91 117.98 118.29 3bdm s PHE 132 Ca 0.61 1.05 -0.05 0.00 -0.60 0.00 0.00 56.93 57.95 3bdm s PHE 132 Cb -0.17 -3.52 -0.04 0.00 0.51 0.00 0.00 43.02 39.80 3bdm s PHE 132 CO 0.56 -1.78 2.98 0.41 0.70 0.00 0.00 175.22 178.09 3bdm n GLY 133 N 3.47 4.09 3.45 4.36 0.00 -1.26 -4.47 105.19 114.83 3bdm n GLY 133 Ca 0.12 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.29 3bdm n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 134 N -0.76 0.01 -0.10 1.61 -7.23 -1.26 0.37 120.40 113.04 3bdm s VAL 134 Ca 0.61 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.69 3bdm s VAL 134 Cb 0.32 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 3bdm s VAL 134 CO -0.13 -0.06 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.01 3bdm s SER 135 N -0.96 3.87 -0.05 4.85 0.01 -0.92 -3.81 113.70 116.68 3bdm s SER 135 Ca -0.10 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 56.91 3bdm s SER 135 Cb -0.02 -1.28 -0.01 0.00 0.21 0.00 0.00 66.02 64.92 3bdm s SER 135 CO 0.07 0.23 -0.25 -0.89 0.41 0.00 0.00 173.24 172.81 3bdm s THR 136 N -0.05 2.09 -0.20 1.44 2.01 -0.32 -1.65 115.64 118.96 3bdm s THR 136 Ca -0.04 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 60.87 3bdm s THR 136 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 3bdm s THR 136 CO 0.04 0.57 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.86 3bdm s ILE 137 N -0.23 3.41 0.16 1.82 1.01 0.63 -0.07 121.20 127.92 3bdm s ILE 137 Ca -0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 3bdm s ILE 137 Cb -0.13 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.82 3bdm s ILE 137 CO 0.03 0.44 0.39 0.72 0.00 0.00 0.00 174.94 176.52 3bdm s PHE 138 N 1.22 0.06 -2.08 3.97 -0.12 -0.48 -1.12 117.98 119.42 3bdm s PHE 138 Ca 0.03 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 3bdm s PHE 138 Cb -0.14 0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 3bdm s PHE 138 CO -0.01 -0.77 0.00 0.41 -0.05 0.00 0.00 175.22 174.79 3bdm n GLY 139 N -0.25 -1.53 0.00 1.99 0.00 -0.84 -0.32 105.19 104.25 3bdm n GLY 139 Ca -0.11 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3bdm n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 140 N -0.17 -1.04 3.45 -0.02 0.00 -0.75 -1.53 105.19 105.14 3bdm n GLY 140 Ca 0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 3bdm n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 141 N -3.00 3.35 0.00 1.61 1.01 -1.25 -0.97 120.40 121.15 3bdm s VAL 141 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3bdm s VAL 141 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3bdm s VAL 141 CO 0.00 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 174.74 3bdm n ASP 142 N 3.07 0.40 -0.35 3.32 3.85 0.04 -4.91 116.55 121.97 3bdm n ASP 142 Ca -0.18 -0.41 0.34 0.00 -0.71 0.00 0.00 54.79 53.83 3bdm n ASP 142 Cb 0.53 0.00 0.70 0.00 -1.35 0.00 0.00 41.12 40.99 3bdm n ASP 142 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3bdm h LYS 143 N 0.00 0.09 -2.03 0.11 3.64 -1.98 -3.11 116.57 113.29 3bdm h LYS 143 Ca 0.00 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 3bdm h LYS 143 Cb 0.00 -0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 31.40 3bdm h LYS 143 CO 0.00 0.06 -1.04 0.27 -2.27 0.00 0.00 179.45 176.47 3bdm n ASN 144 N -4.29 0.86 0.00 4.20 0.23 -1.26 -5.12 115.26 109.88 3bdm n ASN 144 Ca 0.27 -2.86 0.00 0.00 -0.53 0.00 0.00 54.58 51.46 3bdm n ASN 144 Cb 1.23 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 3bdm n ASN 144 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bdm n GLY 145 N 1.15 -1.37 3.54 4.83 0.00 -1.18 -5.00 105.19 107.17 3bdm n GLY 145 Ca 0.23 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3bdm n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ALA 146 N -2.00 2.86 0.02 4.61 0.00 -1.26 -0.78 121.76 125.20 3bdm s ALA 146 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3bdm s ALA 146 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3bdm s ALA 146 CO 0.00 0.62 -0.05 -1.01 0.00 0.00 0.00 175.76 175.32 3bdm s HIS 147 N -1.17 0.43 -0.03 0.00 4.02 -0.14 -4.96 115.29 113.45 3bdm s HIS 147 Ca 0.20 -0.29 0.06 0.00 1.02 0.00 0.00 55.06 56.05 3bdm s HIS 147 Cb -0.11 -0.27 -0.01 0.00 -1.02 0.00 0.00 32.58 31.17 3bdm s HIS 147 CO 0.12 -0.06 -0.21 -1.17 1.02 0.00 0.00 174.74 174.43 3bdm s LEU 148 N -0.83 2.02 0.06 0.89 2.96 -1.26 -1.80 118.68 120.73 3bdm s LEU 148 Ca -0.05 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3bdm s LEU 148 Cb -0.06 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 3bdm s LEU 148 CO -0.00 0.24 0.00 -0.31 -1.32 0.00 0.00 176.35 174.96 3bdm s TYR 149 N -0.33 0.54 -0.08 5.38 2.02 0.56 -1.66 117.35 123.78 3bdm s TYR 149 Ca 0.04 -1.05 -0.03 0.00 -0.37 0.00 0.00 57.07 55.65 3bdm s TYR 149 Cb -0.10 -0.37 0.04 0.00 -0.40 0.00 0.00 41.96 41.13 3bdm s TYR 149 CO 0.01 -0.41 0.16 1.41 -1.57 0.00 0.00 175.55 175.14 3bdm s MET 150 N -3.93 0.07 -0.18 -0.62 -2.45 -1.22 -1.38 119.30 109.59 3bdm s MET 150 Ca 0.09 0.47 -0.04 0.00 -1.25 0.00 0.00 55.69 54.96 3bdm s MET 150 Cb 0.08 -0.22 -0.02 0.00 1.25 0.00 0.00 34.83 35.92 3bdm s MET 150 CO -0.08 -0.23 -0.03 -1.17 1.05 0.00 0.00 175.02 174.56 3bdm s LEU 151 N 1.69 3.18 0.14 4.11 2.96 0.90 -3.35 118.68 128.31 3bdm s LEU 151 Ca -0.04 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3bdm s LEU 151 Cb -0.12 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 3bdm s LEU 151 CO -0.06 0.10 0.38 -1.61 -1.32 0.00 0.00 176.35 173.84 3bdm s GLU 152 N 0.76 3.61 0.53 1.98 0.41 0.88 -1.17 118.70 125.71 3bdm s GLU 152 Ca -0.01 -0.10 0.19 0.00 -0.41 0.00 0.00 54.97 54.64 3bdm s GLU 152 Cb -0.14 -2.85 1.06 0.00 -1.78 0.00 0.00 34.13 30.41 3bdm s GLU 152 CO 0.02 0.46 1.55 -1.35 -0.49 0.00 0.00 175.26 175.45 3bdm h PRO 153 N 2.79 0.00 0.00 0.39 0.11 -1.78 0.90 132.00 134.40 3bdm h PRO 153 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bdm h PRO 153 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3bdm h PRO 153 CO 0.72 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.16 3bdm h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.40 113.55 110.84 3bdm h SER 154 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bdm h SER 154 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3bdm h SER 154 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3bdm n GLY 155 N 1.19 0.66 3.78 -0.77 0.00 0.31 -4.49 105.19 105.87 3bdm n GLY 155 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3bdm n GLY 155 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bdm s SER 156 N -1.94 6.71 -0.08 1.61 0.15 -1.24 -4.71 113.70 114.20 3bdm s SER 156 Ca 0.00 2.05 -0.30 0.00 0.70 0.00 0.00 55.95 58.40 3bdm s SER 156 Cb 0.00 -2.59 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 3bdm s SER 156 CO 0.00 -0.53 0.67 -0.72 1.20 0.00 0.00 173.24 173.87 3bdm s TYR 157 N -1.66 -0.66 0.17 3.44 -0.85 -1.26 -0.08 117.35 116.45 3bdm s TYR 157 Ca 0.58 1.21 -0.09 0.00 -0.52 0.00 0.00 57.07 58.26 3bdm s TYR 157 Cb -0.22 0.38 -0.01 0.00 0.38 0.00 0.00 41.96 42.49 3bdm s TYR 157 CO 0.28 -0.57 0.29 -1.58 -1.52 0.00 0.00 175.55 172.44 3bdm s TRP 158 N -0.98 0.46 0.17 -3.49 0.52 -1.21 -5.00 118.94 109.40 3bdm s TRP 158 Ca -0.10 -0.81 -0.27 0.00 0.02 0.00 0.00 56.10 54.94 3bdm s TRP 158 Cb -0.01 -0.08 -0.08 0.00 -1.15 0.00 0.00 33.47 32.16 3bdm s TRP 158 CO 0.09 -0.74 0.84 0.20 0.02 0.00 0.00 176.95 177.36 3bdm s GLY 159 N -2.99 2.97 0.20 0.98 0.00 -1.26 -3.38 107.32 103.85 3bdm s GLY 159 Ca 0.19 0.45 0.07 0.00 0.00 0.00 0.00 44.72 45.43 3bdm s GLY 159 CO 0.02 1.05 -0.13 -0.19 0.00 0.00 0.00 173.10 173.85 3bdm s TYR 160 N -0.91 1.66 -0.17 1.90 1.51 -0.67 -5.00 117.35 115.68 3bdm s TYR 160 Ca 0.39 -0.62 -0.04 0.00 -1.01 0.00 0.00 57.07 55.79 3bdm s TYR 160 Cb -0.24 -0.80 -0.23 0.00 -0.11 0.00 0.00 41.96 40.58 3bdm s TYR 160 CO 0.28 0.30 0.16 1.63 -1.11 0.00 0.00 175.55 176.81 3bdm n LYS 161 N -0.37 0.72 -3.84 -0.62 5.02 -1.26 -4.28 118.16 113.53 3bdm n LYS 161 Ca -0.08 0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 56.32 3bdm n LYS 161 Cb 0.61 -1.64 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 3bdm n LYS 161 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bdm s GLY 162 N -5.90 0.00 -0.03 0.72 0.00 -1.26 -1.00 107.32 99.85 3bdm s GLY 162 Ca -0.27 -0.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.13 3bdm s GLY 162 CO 0.71 -0.29 0.45 0.00 0.00 0.00 0.00 173.10 173.97 3bdm s ALA 163 N -1.94 -1.15 0.07 3.20 0.00 -0.20 -4.98 121.76 116.75 3bdm s ALA 163 Ca -0.10 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 3bdm s ALA 163 Cb -0.04 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3bdm s ALA 163 CO -0.00 -0.30 0.37 0.00 0.00 0.00 0.00 175.76 175.82 3bdm s ALA 164 N -1.26 -0.85 0.09 0.00 0.00 -1.26 -0.80 121.76 117.68 3bdm s ALA 164 Ca -0.13 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.65 3bdm s ALA 164 Cb -0.03 0.45 0.08 0.00 0.00 0.00 0.00 23.12 23.61 3bdm s ALA 164 CO 0.06 -0.50 0.67 -0.08 0.00 0.00 0.00 175.76 175.91 3bdm s THR 165 N -2.97 0.00 0.00 0.00 -1.32 -0.87 -4.95 115.64 105.54 3bdm s THR 165 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 3bdm s THR 165 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3bdm s THR 165 CO -0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3bdm n GLY 166 N -0.12 -0.21 0.48 6.08 0.00 -1.26 -1.63 105.19 108.52 3bdm n GLY 166 Ca -0.16 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.57 3bdm n GLY 166 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bdm h LYS 167 N 0.00 -1.16 -0.76 1.61 1.63 0.41 -2.97 116.57 115.33 3bdm h LYS 167 Ca 0.00 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3bdm h LYS 167 Cb 0.00 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3bdm h LYS 167 CO 0.00 -0.78 0.00 0.41 -3.45 0.00 0.00 179.45 175.63 3bdm n GLY 168 N -1.44 1.00 0.48 5.01 0.00 -1.26 -4.44 105.19 104.54 3bdm n GLY 168 Ca -0.15 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.20 3bdm n GLY 168 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3bdm h ARG 169 N 0.07 0.16 0.13 1.61 2.43 -1.76 -2.02 114.38 115.01 3bdm h ARG 169 Ca 0.00 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.85 3bdm h ARG 169 Cb 0.38 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3bdm h ARG 169 CO 0.00 0.10 -1.54 1.96 -1.51 0.00 0.00 179.97 178.98 3bdm h GLN 170 N 0.16 0.28 0.09 0.20 7.50 -1.86 -2.55 115.11 118.92 3bdm h GLN 170 Ca 0.70 -0.47 -0.00 0.00 0.50 0.00 0.00 58.65 59.37 3bdm h GLN 170 Cb 2.26 0.18 0.00 0.00 0.05 0.00 0.00 27.48 29.96 3bdm h GLN 170 CO -0.25 1.15 -0.04 0.77 -1.50 0.00 0.00 178.83 178.96 3bdm h SER 171 N 0.08 -0.10 0.71 1.46 0.02 -1.73 -2.07 113.55 111.92 3bdm h SER 171 Ca -0.25 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3bdm h SER 171 Cb 2.03 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.59 3bdm h SER 171 CO 0.17 -0.06 -0.48 0.00 -1.14 0.00 0.00 176.83 175.32 3bdm h ALA 172 N 0.79 -1.24 -1.19 3.77 0.00 -1.58 -0.98 119.26 118.82 3bdm h ALA 172 Ca -0.01 -0.23 0.35 0.00 0.00 0.00 0.00 54.91 55.01 3bdm h ALA 172 Cb 0.10 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 3bdm h ALA 172 CO 0.02 -1.21 0.78 0.87 0.00 0.00 0.00 179.25 179.71 3bdm h LYS 173 N -1.13 0.21 0.03 0.00 1.57 -1.42 0.42 116.57 116.25 3bdm h LYS 173 Ca -0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3bdm h LYS 173 Cb 0.92 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3bdm h LYS 173 CO 0.07 0.14 -0.01 0.00 -0.57 0.00 0.00 179.45 179.08 3bdm h ALA 174 N 1.57 -0.03 -0.60 3.86 0.00 -0.69 -2.19 119.26 121.18 3bdm h ALA 174 Ca 0.68 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 3bdm h ALA 174 Cb 2.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 3bdm h ALA 174 CO -0.30 -0.33 0.35 0.93 0.00 0.00 0.00 179.25 179.91 3bdm h GLU 175 N -0.42 0.82 -0.58 0.00 4.39 0.96 -2.36 114.58 117.38 3bdm h GLU 175 Ca -0.00 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3bdm h GLU 175 Cb 0.40 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3bdm h GLU 175 CO 0.01 0.60 0.35 -0.07 -1.16 0.00 0.00 179.01 178.73 3bdm h LEU 176 N 0.81 0.71 -1.69 1.33 -0.00 -0.53 -1.56 115.31 114.38 3bdm h LEU 176 Ca 0.21 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 3bdm h LEU 176 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 3bdm h LEU 176 CO -0.04 0.57 -0.02 -0.33 -0.00 0.00 0.00 178.44 178.62 3bdm h GLU 177 N 0.79 0.17 -0.19 1.13 5.08 -1.14 -1.14 114.58 119.28 3bdm h GLU 177 Ca 0.21 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3bdm h GLU 177 Cb -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3bdm h GLU 177 CO -0.04 0.21 0.02 0.87 -1.00 0.00 0.00 179.01 179.07 3bdm h LYS 178 N 0.17 0.32 -0.65 2.33 1.57 -0.79 -2.41 116.57 117.11 3bdm h LYS 178 Ca 0.04 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3bdm h LYS 178 Cb 0.15 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 3bdm h LYS 178 CO 0.00 0.50 0.35 -0.07 -0.57 0.00 0.00 179.45 179.66 3bdm h LEU 179 N 0.10 0.50 -0.30 2.94 3.38 -0.41 -2.24 115.31 119.27 3bdm h LEU 179 Ca 0.06 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3bdm h LEU 179 Cb 0.34 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3bdm h LEU 179 CO 0.01 0.32 0.01 0.58 0.09 0.00 0.00 178.44 179.45 3bdm h VAL 180 N 0.64 0.79 0.00 1.22 2.07 -1.07 -2.37 116.25 117.53 3bdm h VAL 180 Ca 0.30 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.78 3bdm h VAL 180 Cb 0.21 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3bdm h VAL 180 CO -0.20 0.02 0.00 0.47 0.02 0.00 0.00 177.57 177.88 3bdm n ASP 18 N -5.15 1.41 -0.57 0.57 8.00 -0.84 -3.58 116.55 116.38 3bdm n ASP 18 Ca 0.00 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3bdm n ASP 18 Cb 0.15 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3bdm n ASP 18 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3bdm n HIS 18 N 1.10 0.00 0.11 1.24 8.25 -0.89 -5.04 115.22 119.99 3bdm n HIS 18 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 3bdm n HIS 18 Cb 0.19 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.57 3bdm n HIS 18 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3bdm n PRO 18 N -0.19 0.06 -0.06 -0.41 -0.04 -1.23 -1.14 135.00 131.99 3bdm n PRO 18 Ca 0.00 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 3bdm n PRO 18 Cb 0.00 -1.70 0.14 0.00 -0.04 0.00 0.00 33.50 31.90 3bdm n PRO 18 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3bdm n GLU 18 N -1.83 2.30 0.00 0.54 -0.00 -1.26 -5.08 120.64 115.31 3bdm n GLU 18 Ca -0.00 -2.01 0.00 0.00 -0.00 0.00 0.00 57.16 55.15 3bdm n GLU 18 Cb 0.03 -1.46 0.00 0.00 -0.00 0.00 0.00 31.44 30.01 3bdm n GLU 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3bdm n GLY 18 N 1.35 2.34 3.29 -1.84 0.00 -0.29 -5.04 105.19 105.00 3bdm n GLY 18 Ca 0.15 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 3bdm n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bdm s LEU 184 N 0.00 2.12 0.68 0.99 2.96 -1.26 -4.91 118.68 119.26 3bdm s LEU 184 Ca 0.00 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 3bdm s LEU 184 Cb 0.00 -1.16 0.02 0.00 0.50 0.00 0.00 46.19 45.54 3bdm s LEU 184 CO 0.00 0.24 1.05 -0.94 -1.32 0.00 0.00 176.35 175.38 3bdm s SER 185 N -0.95 5.43 0.17 3.68 1.04 -1.26 -0.62 113.70 121.19 3bdm s SER 185 Ca 0.09 1.00 -0.13 0.00 0.48 0.00 0.00 55.95 57.39 3bdm s SER 185 Cb -0.09 -1.83 0.07 0.00 0.10 0.00 0.00 66.02 64.27 3bdm s SER 185 CO 0.01 -1.30 1.76 0.00 0.98 0.00 0.00 173.24 174.69 3bdm h ALA 186 N -0.55 0.74 -0.53 5.32 0.00 -1.96 0.23 119.26 122.50 3bdm h ALA 186 Ca -0.45 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.39 3bdm h ALA 186 Cb 1.26 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3bdm h ALA 186 CO 0.63 0.30 0.26 -0.09 0.00 0.00 0.00 179.25 180.34 3bdm h ARG 187 N 0.78 0.48 -0.22 0.00 9.65 -2.01 -2.07 114.38 121.00 3bdm h ARG 187 Ca 0.20 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.91 3bdm h ARG 187 Cb 0.10 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3bdm h ARG 187 CO -0.03 0.31 -0.41 0.93 2.80 0.00 0.00 179.97 183.58 3bdm h GLU 188 N 0.49 0.66 -0.26 0.20 4.39 -1.85 -3.11 114.58 115.10 3bdm h GLU 188 Ca 0.24 -0.42 0.06 0.00 0.34 0.00 0.00 59.36 59.58 3bdm h GLU 188 Cb 0.18 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3bdm h GLU 188 CO -0.19 1.04 0.18 0.00 -1.16 0.00 0.00 179.01 178.89 3bdm h ALA 189 N 0.62 2.15 0.23 3.43 0.00 -0.29 0.08 119.26 125.48 3bdm h ALA 189 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3bdm h ALA 189 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3bdm h ALA 189 CO 0.09 -0.21 -0.11 0.28 0.00 0.00 0.00 179.25 179.30 3bdm h VAL 190 N 0.08 0.84 -0.11 0.00 2.07 -1.31 -0.99 116.25 116.82 3bdm h VAL 190 Ca 0.12 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3bdm h VAL 190 Cb 0.38 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3bdm h VAL 190 CO -0.01 0.12 0.05 0.11 0.02 0.00 0.00 177.57 177.86 3bdm h LYS 191 N -0.60 0.17 -0.08 1.57 1.57 -1.43 -1.51 116.57 116.26 3bdm h LYS 191 Ca -0.03 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3bdm h LYS 191 Cb 0.43 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3bdm h LYS 191 CO 0.05 0.25 0.09 0.37 -0.57 0.00 0.00 179.45 179.64 3bdm h GLN 192 N 0.04 0.00 0.07 3.15 5.75 -1.03 -1.05 115.11 122.04 3bdm h GLN 192 Ca 0.04 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.40 3bdm h GLN 192 Cb 0.15 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.71 3bdm h GLN 192 CO -0.00 0.00 -0.60 0.00 -2.65 0.00 0.00 178.83 175.58 3bdm h ALA 193 N 1.90 -0.03 -0.55 3.38 0.00 -0.62 -2.87 119.26 120.47 3bdm h ALA 193 Ca 0.04 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.39 3bdm h ALA 193 Cb 0.21 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3bdm h ALA 193 CO -0.00 0.29 0.37 0.00 0.00 0.00 0.00 179.25 179.91 3bdm h ALA 194 N 0.15 1.88 0.33 0.00 0.00 -0.22 -2.13 119.26 119.26 3bdm h ALA 194 Ca -0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3bdm h ALA 194 Cb 1.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3bdm h ALA 194 CO 0.11 0.03 -0.16 -0.22 0.00 0.00 0.00 179.25 179.01 3bdm h LYS 195 N 0.49 -0.42 -1.07 0.00 3.64 -1.34 -2.78 116.57 115.09 3bdm h LYS 195 Ca 0.24 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.94 3bdm h LYS 195 Cb 0.31 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 3bdm h LYS 195 CO -0.07 -0.10 0.71 0.82 -2.27 0.00 0.00 179.45 178.55 3bdm h ILE 196 N -0.87 0.49 -0.06 2.00 1.08 -1.21 0.15 117.51 119.08 3bdm h ILE 196 Ca -0.05 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.29 3bdm h ILE 196 Cb 0.53 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 3bdm h ILE 196 CO 0.07 0.05 -0.11 0.40 -0.69 0.00 0.00 178.15 177.87 3bdm h ILE 197 N 0.27 1.41 -0.93 -0.67 1.08 -1.39 -0.36 117.51 116.91 3bdm h ILE 197 Ca 0.59 -1.40 0.11 0.00 -0.39 0.00 0.00 64.86 63.77 3bdm h ILE 197 Cb 1.72 2.19 -0.08 0.00 -3.07 0.00 0.00 36.82 37.58 3bdm h ILE 197 CO -0.22 0.39 0.57 1.88 -0.69 0.00 0.00 178.15 180.08 3bdm h TYR 198 N -0.30 1.03 -0.17 1.37 -1.99 -0.49 0.19 116.97 116.61 3bdm h TYR 198 Ca 0.00 0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.58 3bdm h TYR 198 Cb 0.68 -0.32 0.01 0.00 2.00 0.00 0.00 36.73 39.10 3bdm h TYR 198 CO 0.11 0.40 -0.62 -0.07 -0.00 0.00 0.00 178.16 177.98 3bdm h LEU 199 N 0.91 0.85 -0.07 3.88 4.07 -1.12 -2.98 115.31 120.84 3bdm h LEU 199 Ca 0.46 -0.60 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3bdm h LEU 199 Cb 0.45 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3bdm h LEU 199 CO -0.26 1.31 0.00 0.00 -1.08 0.00 0.00 178.44 178.40 3bdm n ALA 201 N -2.58 1.81 1.85 1.53 0.00 -0.15 -2.51 120.51 120.46 3bdm n ALA 201 Ca -0.07 -0.04 0.16 0.00 0.00 0.00 0.00 53.44 53.48 3bdm n ALA 201 Cb 0.66 -1.30 0.90 0.00 0.00 0.00 0.00 19.45 19.71 3bdm n ALA 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3bdm n HIS 202 N -1.60 0.00 0.56 0.00 -0.00 0.00 -3.47 115.22 110.71 3bdm n HIS 202 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.88 3bdm n HIS 202 Cb 0.22 -0.07 0.45 0.00 -0.00 0.00 0.00 29.99 30.59 3bdm n HIS 202 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3bdm n GLU 203 N -1.07 0.21 -0.80 1.57 4.07 -1.04 -1.37 120.64 122.20 3bdm n GLU 203 Ca 0.22 0.28 -0.06 0.00 -0.06 0.00 0.00 57.16 57.54 3bdm n GLU 203 Cb 0.14 -1.80 0.23 0.00 -0.06 0.00 0.00 31.44 29.95 3bdm n GLU 203 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3bdm n ASP 204 N -2.18 4.11 -0.23 4.31 9.92 -1.23 -3.46 116.55 127.79 3bdm n ASP 204 Ca 0.04 -2.95 0.00 0.00 -0.53 0.00 0.00 54.79 51.36 3bdm n ASP 204 Cb 0.34 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 3bdm n ASP 204 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3bdm n ASN 205 N -0.10 0.00 0.04 -2.24 4.05 -1.05 -4.80 115.26 111.15 3bdm n ASN 205 Ca 0.33 -0.64 0.01 0.00 0.45 0.00 0.00 54.58 54.72 3bdm n ASN 205 Cb 1.17 0.00 0.07 0.00 1.23 0.00 0.00 39.78 42.25 3bdm n ASN 205 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 3bdm n LYS 206 N 0.00 0.02 -0.15 1.20 2.85 -0.47 -2.14 118.16 119.47 3bdm n LYS 206 Ca 0.00 0.34 -0.10 0.00 -1.05 0.00 0.00 58.31 57.50 3bdm n LYS 206 Cb 0.32 -1.81 0.03 0.00 -0.65 0.00 0.00 35.03 32.92 3bdm n LYS 206 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 3bdm h GLU 20 N 0.00 0.95 -6.27 -1.58 4.11 -1.89 -3.44 114.58 106.46 3bdm h GLU 20 Ca 0.00 -0.38 -0.64 0.00 0.07 0.00 0.00 59.36 58.41 3bdm h GLU 20 Cb 0.50 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 3bdm h GLU 20 CO 0.00 1.05 -0.63 0.15 0.07 0.00 0.00 179.01 179.64 3bdm s LYS 20 N -4.73 2.69 0.68 1.06 1.02 -0.91 -5.12 119.74 114.44 3bdm s LYS 20 Ca -0.11 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 54.97 3bdm s LYS 20 Cb 0.13 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 3bdm s LYS 20 CO 0.86 0.54 1.07 0.34 -0.92 0.00 0.00 175.35 177.24 3bdm s ASP 207 N -2.45 5.69 0.10 2.83 3.68 -1.26 -4.88 116.67 120.39 3bdm s ASP 207 Ca 0.28 1.30 -0.07 0.00 2.13 0.00 0.00 52.55 56.19 3bdm s ASP 207 Cb -0.12 -2.20 -0.01 0.00 -1.45 0.00 0.00 42.92 39.14 3bdm s ASP 207 CO 0.20 -1.20 0.16 0.72 0.13 0.00 0.00 175.17 175.18 3bdm s PHE 208 N -3.25 0.34 -0.05 -5.34 -0.12 -1.26 0.15 117.98 108.46 3bdm s PHE 208 Ca 0.57 -0.77 0.05 0.00 -0.05 0.00 0.00 56.93 56.73 3bdm s PHE 208 Cb -0.11 -0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.10 3bdm s PHE 208 CO 0.53 -0.56 -0.19 -2.00 -0.05 0.00 0.00 175.22 172.95 3bdm s GLU 209 N -3.92 2.46 0.17 1.99 2.12 0.60 -4.89 118.70 117.24 3bdm s GLU 209 Ca 0.10 -0.80 -0.07 0.00 0.36 0.00 0.00 54.97 54.57 3bdm s GLU 209 Cb 0.05 -2.26 -0.06 0.00 0.26 0.00 0.00 34.13 32.12 3bdm s GLU 209 CO -0.07 0.53 0.44 -1.17 -0.54 0.00 0.00 175.26 174.45 3bdm s LEU 210 N -0.52 4.24 -0.08 2.70 2.96 -1.26 -1.05 118.68 125.66 3bdm s LEU 210 Ca 0.07 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.65 3bdm s LEU 210 Cb -0.11 -3.43 0.05 0.00 0.50 0.00 0.00 46.19 43.20 3bdm s LEU 210 CO 0.01 0.01 0.16 -0.70 -1.32 0.00 0.00 176.35 174.51 3bdm s GLU 211 N -2.68 0.05 0.02 1.98 2.12 -1.00 -4.98 118.70 114.21 3bdm s GLU 211 Ca 0.43 0.52 0.04 0.00 0.36 0.00 0.00 54.97 56.31 3bdm s GLU 211 Cb -0.12 -0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.01 3bdm s GLU 211 CO 0.23 -0.27 -0.12 0.42 -0.54 0.00 0.00 175.26 174.99 3bdm s ILE 212 N 1.99 0.91 0.03 -3.70 1.01 -1.26 -0.54 121.20 119.65 3bdm s ILE 212 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3bdm s ILE 212 Cb -0.12 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 3bdm s ILE 212 CO -0.06 0.02 0.05 -0.94 0.00 0.00 0.00 174.94 174.00 3bdm s SER 213 N -0.90 0.24 0.06 3.58 1.04 0.36 -1.07 113.70 117.01 3bdm s SER 213 Ca 0.01 -0.60 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 3bdm s SER 213 Cb -0.07 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 3bdm s SER 213 CO 0.01 -0.47 0.09 -1.66 0.98 0.00 0.00 173.24 172.18 3bdm s TRP 214 N -2.55 0.28 -0.30 5.02 1.48 -0.07 0.35 118.94 123.15 3bdm s TRP 214 Ca -0.06 -0.70 -0.02 0.00 -1.06 0.00 0.00 56.10 54.26 3bdm s TRP 214 Cb -0.02 -0.19 0.10 0.00 -1.16 0.00 0.00 33.47 32.21 3bdm s TRP 214 CO -0.05 -0.43 0.12 0.00 -4.06 0.00 0.00 176.95 172.53 3bdm s SER 216 N 1.80 2.18 0.20 0.00 0.15 -1.26 -0.42 113.70 116.34 3bdm s SER 216 Ca 0.10 -0.34 -0.10 0.00 0.70 0.00 0.00 55.95 56.30 3bdm s SER 216 Cb -0.17 -0.39 0.14 0.00 -1.71 0.00 0.00 66.02 63.89 3bdm s SER 216 CO -0.29 0.20 1.82 0.25 1.20 0.00 0.00 173.24 176.42 3bdm h LEU 217 N 5.91 0.90 0.00 3.45 5.85 -0.66 0.10 115.31 130.86 3bdm h LEU 217 Ca -0.35 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 3bdm h LEU 217 Cb 1.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3bdm h LEU 217 CO 0.48 0.73 -1.32 -1.54 -0.34 0.00 0.00 178.44 176.45 3bdm n SER 218 N -4.49 0.73 -0.07 1.25 3.41 -1.26 -3.13 113.62 110.06 3bdm n SER 218 Ca 0.06 0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.84 3bdm n SER 218 Cb 0.08 0.54 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 3bdm n SER 218 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bdm n GLU 21 N -2.71 0.68 0.00 4.33 -0.58 -1.16 -4.64 120.64 116.55 3bdm n GLU 21 Ca -0.05 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3bdm n GLU 21 Cb 0.68 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 3bdm n GLU 21 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3bdm n THR 21 N -3.04 0.22 -2.86 2.62 -2.24 0.25 -4.95 114.28 104.27 3bdm n THR 21 Ca -0.31 -0.45 -0.08 0.00 -2.27 0.00 0.00 64.05 60.94 3bdm n THR 21 Cb 1.08 1.10 0.03 0.00 -2.10 0.00 0.00 70.33 70.44 3bdm n THR 21 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3bdm n ASN 21 N -0.11 -3.49 0.00 3.42 5.15 -0.70 -2.83 115.26 116.70 3bdm n ASN 21 Ca 0.00 -0.18 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 3bdm n ASN 21 Cb 0.16 -2.04 0.00 0.00 -0.53 0.00 0.00 39.78 37.37 3bdm n ASN 21 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bdm n GLY 219 N -1.02 0.16 3.87 8.20 0.00 -0.51 -4.93 105.19 110.96 3bdm n GLY 219 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3bdm n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 220 N 0.00 4.05 0.00 0.99 1.43 -1.13 -4.61 118.68 119.41 3bdm s LEU 220 Ca 0.00 -0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 3bdm s LEU 220 Cb 0.00 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 3bdm s LEU 220 CO 0.00 0.04 0.71 -2.28 0.23 0.00 0.00 176.35 175.05 3bdm s HIS 221 N -1.79 3.68 -0.07 0.29 5.65 -0.66 -4.19 115.29 118.19 3bdm s HIS 221 Ca 0.33 1.35 -0.18 0.00 0.25 0.00 0.00 55.06 56.80 3bdm s HIS 221 Cb -0.10 -2.77 0.04 0.00 -1.18 0.00 0.00 32.58 28.57 3bdm s HIS 221 CO 0.26 0.24 0.43 0.15 -0.65 0.00 0.00 174.74 175.16 3bdm s LYS 222 N 0.17 0.69 0.27 2.88 1.02 -0.69 -4.97 119.74 119.11 3bdm s LYS 222 Ca 0.37 0.17 -0.27 0.00 0.02 0.00 0.00 55.97 56.25 3bdm s LYS 222 Cb -0.19 0.32 -0.09 0.00 -0.52 0.00 0.00 37.83 37.35 3bdm s LYS 222 CO 0.20 -0.17 0.92 -0.06 -0.92 0.00 0.00 175.35 175.32 3bdm s PHE 223 N -0.78 3.82 -0.42 3.18 0.40 -1.26 -0.89 117.98 122.03 3bdm s PHE 223 Ca -0.09 1.80 -0.26 0.00 -0.60 0.00 0.00 56.93 57.79 3bdm s PHE 223 Cb -0.04 -2.91 0.02 0.00 0.51 0.00 0.00 43.02 40.60 3bdm s PHE 223 CO 0.04 0.33 0.94 0.08 0.70 0.00 0.00 175.22 177.31 3bdm s VAL 224 N -1.41 4.51 0.19 -0.44 1.01 -0.24 -4.90 120.40 119.12 3bdm s VAL 224 Ca 0.45 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.41 3bdm s VAL 224 Cb -0.22 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.77 3bdm s VAL 224 CO 0.27 -0.71 0.01 0.29 0.00 0.00 0.00 175.10 174.96 3bdm n LYS 225 N 7.03 1.52 0.00 2.72 5.02 -1.26 -4.69 118.16 128.50 3bdm n LYS 225 Ca 0.07 -1.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.99 3bdm n LYS 225 Cb 0.48 0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.84 3bdm n LYS 225 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bdm n GLY 226 N 2.73 2.54 0.34 0.72 0.00 -1.26 -3.12 105.19 107.14 3bdm n GLY 226 Ca -0.07 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3bdm n GLY 226 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bdm h ASP 227 N 0.00 -0.73 -1.39 1.61 3.45 -1.99 -2.34 116.42 115.03 3bdm h ASP 227 Ca 0.00 0.03 0.40 0.00 0.43 0.00 0.00 57.03 57.89 3bdm h ASP 227 Cb 0.00 0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 38.90 3bdm h ASP 227 CO 0.00 -0.52 0.99 0.25 -1.57 0.00 0.00 179.24 178.39 3bdm h LEU 228 N -0.86 0.04 0.04 1.55 5.85 -1.97 0.18 115.31 120.14 3bdm h LEU 228 Ca -0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3bdm h LEU 228 Cb 0.66 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3bdm h LEU 228 CO 0.14 -0.00 -0.02 0.25 -0.34 0.00 0.00 178.44 178.47 3bdm h LEU 229 N 0.03 -0.05 -0.75 2.25 5.85 -1.47 -2.81 115.31 118.36 3bdm h LEU 229 Ca 0.67 -0.59 0.11 0.00 0.84 0.00 0.00 57.88 58.91 3bdm h LEU 229 Cb 2.62 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 43.59 3bdm h LEU 229 CO -0.04 0.60 0.37 -0.61 -0.34 0.00 0.00 178.44 178.42 3bdm h GLN 230 N -0.74 0.59 -0.34 1.25 5.75 -0.16 0.13 115.11 121.60 3bdm h GLN 230 Ca -0.01 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 3bdm h GLN 230 Cb 0.63 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 3bdm h GLN 230 CO 0.01 0.39 0.03 1.49 -2.65 0.00 0.00 178.83 178.10 3bdm h GLU 231 N 0.61 0.13 -0.20 1.69 4.81 -1.14 0.97 114.58 121.45 3bdm h GLU 231 Ca 0.38 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.49 3bdm h GLU 231 Cb 0.44 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3bdm h GLU 231 CO -0.30 0.08 -0.34 0.00 -0.73 0.00 0.00 179.01 177.73 3bdm h ALA 232 N 1.28 1.05 -0.55 2.92 0.00 -0.98 -0.70 119.26 122.28 3bdm h ALA 232 Ca 0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3bdm h ALA 232 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3bdm h ALA 232 CO -0.25 0.58 0.35 0.82 0.00 0.00 0.00 179.25 180.75 3bdm h ILE 233 N 0.35 1.16 -0.12 0.00 2.04 0.18 -2.10 117.51 119.02 3bdm h ILE 233 Ca 0.04 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3bdm h ILE 233 Cb 0.77 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3bdm h ILE 233 CO 0.06 0.16 -0.04 0.44 0.00 0.00 0.00 178.15 178.77 3bdm h ASP 234 N 0.75 0.24 -1.00 1.72 3.32 -0.54 -0.80 116.42 120.11 3bdm h ASP 234 Ca 0.20 -0.38 0.26 0.00 0.02 0.00 0.00 57.03 57.13 3bdm h ASP 234 Cb -0.04 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.38 3bdm h ASP 234 CO -0.04 0.57 0.67 0.15 -1.72 0.00 0.00 179.24 178.88 3bdm h PHE 235 N -0.09 0.38 0.00 4.55 3.57 -0.90 0.77 116.94 125.22 3bdm h PHE 235 Ca 0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3bdm h PHE 235 Cb 0.47 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3bdm h PHE 235 CO 0.06 0.06 -0.00 0.00 -2.23 0.00 0.00 178.31 176.20 3bdm h ALA 236 N 1.57 0.00 -1.34 2.41 0.00 -1.18 -3.12 119.26 117.59 3bdm h ALA 236 Ca 0.52 -0.17 0.39 0.00 0.00 0.00 0.00 54.91 55.65 3bdm h ALA 236 Cb 1.58 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 3bdm h ALA 236 CO -0.15 0.00 0.95 1.96 0.00 0.00 0.00 179.25 182.01 3bdm h GLN 237 N -1.00 0.04 0.03 0.00 1.08 -0.31 0.74 115.11 115.70 3bdm h GLN 237 Ca -0.00 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3bdm h GLN 237 Cb 0.35 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3bdm h GLN 237 CO -0.00 0.03 -0.01 -0.22 -0.95 0.00 0.00 178.83 177.67 3bdm h LYS 238 N 0.04 -0.04 0.00 1.46 3.64 -0.98 -3.29 116.57 117.41 3bdm h LYS 238 Ca 0.66 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 3bdm h LYS 238 Cb 2.53 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 34.35 3bdm h LYS 238 CO -0.06 0.62 0.00 0.39 -2.27 0.00 0.00 179.45 178.13 3bdm n GLU 239 N -4.78 0.98 0.11 1.90 1.02 0.08 -2.19 120.64 117.75 3bdm n GLU 239 Ca -0.09 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 3bdm n GLU 239 Cb 0.33 -1.39 0.14 0.00 -0.02 0.00 0.00 31.44 30.49 3bdm n GLU 239 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3bdm h ILE 240 N 0.00 0.00 -0.01 -3.67 -0.00 -1.14 -3.51 117.51 109.18 3bdm h ILE 240 Ca 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 64.86 64.12 3bdm h ILE 240 Cb 0.00 1.41 0.00 0.00 -0.00 0.00 0.00 36.82 38.23 3bdm h ILE 240 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 178.74