#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ad0 s VAL 2 N 0.00 3.98 -0.06 6.31 1.01 -1.26 -3.91 120.40 126.47 1ad0 s VAL 2 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1ad0 s VAL 2 Cb 0.00 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1ad0 s VAL 2 CO 0.00 0.11 -0.04 -1.10 0.00 0.00 0.00 175.10 174.07 1ad0 s GLN 3 N 1.05 0.93 -0.14 2.72 -0.21 0.05 -5.00 119.66 119.06 1ad0 s GLN 3 Ca 0.59 -0.09 0.02 0.00 0.02 0.00 0.00 55.36 55.90 1ad0 s GLN 3 Cb -0.30 -1.01 0.01 0.00 1.00 0.00 0.00 33.01 32.71 1ad0 s GLN 3 CO 0.29 -0.15 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.59 1ad0 s LEU 4 N 1.27 2.18 -0.21 2.90 1.43 -1.26 -2.14 118.68 122.86 1ad0 s LEU 4 Ca -0.05 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1ad0 s LEU 4 Cb -0.14 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.68 1ad0 s LEU 4 CO -0.02 0.09 -0.01 -0.22 0.23 0.00 0.00 176.35 176.43 1ad0 s LEU 5 N 0.75 1.79 0.42 1.79 2.96 -0.64 -4.19 118.68 121.56 1ad0 s LEU 5 Ca -0.08 -0.97 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 1ad0 s LEU 5 Cb -0.16 -0.86 -0.07 0.00 0.50 0.00 0.00 46.19 45.61 1ad0 s LEU 5 CO -0.00 -0.27 0.81 -1.61 -1.32 0.00 0.00 176.35 173.96 1ad0 s GLU 6 N 1.65 3.84 0.07 1.98 8.01 -1.26 -1.76 118.70 131.23 1ad0 s GLU 6 Ca -0.03 0.59 -0.26 0.00 0.01 0.00 0.00 54.97 55.28 1ad0 s GLU 6 Cb -0.18 -2.34 0.08 0.00 -4.31 0.00 0.00 34.13 27.38 1ad0 s GLU 6 CO -0.07 -0.06 0.69 -1.54 0.01 0.00 0.00 175.26 174.29 1ad0 s SER 7 N -3.04 -0.53 0.00 -0.19 1.04 -0.53 -4.81 113.70 105.63 1ad0 s SER 7 Ca 0.53 0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1ad0 s SER 7 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1ad0 s SER 7 CO 0.30 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1ad0 n GLY 8 N -0.07 0.82 3.78 7.32 0.00 -1.26 -0.79 105.19 114.99 1ad0 n GLY 8 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1ad0 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ad0 s GLY 9 N -1.99 2.73 0.00 -0.02 0.00 -1.26 -4.73 107.32 102.05 1ad0 s GLY 9 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1ad0 s GLY 9 CO 0.00 1.09 0.00 0.61 0.00 0.00 0.00 173.10 174.80 1ad0 n GLY 10 N 0.33 -0.91 3.73 0.20 0.00 -0.71 -4.80 105.19 103.03 1ad0 n GLY 10 Ca 0.05 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1ad0 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ad0 s LEU 11 N 0.00 4.46 0.01 0.99 2.96 -1.26 -1.23 118.68 124.60 1ad0 s LEU 11 Ca 0.00 1.95 0.02 0.00 -0.22 0.00 0.00 54.13 55.88 1ad0 s LEU 11 Cb 0.00 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 1ad0 s LEU 11 CO 0.00 -0.23 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.06 1ad0 s VAL 12 N 0.18 0.41 0.26 1.68 1.01 0.10 -4.93 120.40 119.12 1ad0 s VAL 12 Ca 0.51 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1ad0 s VAL 12 Cb -0.27 -0.38 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 1ad0 s VAL 12 CO 0.32 0.00 1.04 -1.58 0.00 0.00 0.00 175.10 174.88 1ad0 s GLN 13 N -0.42 4.72 0.17 2.72 2.00 -1.25 -0.73 119.66 126.87 1ad0 s GLN 13 Ca -0.01 1.69 -0.34 0.00 -2.00 0.00 0.00 55.36 54.70 1ad0 s GLN 13 Cb -0.04 -3.23 -0.14 0.00 0.80 0.00 0.00 33.01 30.40 1ad0 s GLN 13 CO -0.00 0.32 1.46 -2.30 -0.50 0.00 0.00 175.29 174.27 1ad0 n PRO 14 N 1.34 1.87 -0.78 1.67 -0.02 -1.26 -0.72 135.00 137.10 1ad0 n PRO 14 Ca -0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1ad0 n PRO 14 Cb 0.46 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1ad0 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ad0 n GLY 15 N 2.80 0.67 4.01 -1.23 0.00 0.50 -4.93 105.19 107.01 1ad0 n GLY 15 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1ad0 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ad0 s GLY 16 N -1.95 1.74 0.20 -0.02 0.00 0.10 -4.17 107.32 103.22 1ad0 s GLY 16 Ca 0.00 -1.93 0.08 0.00 0.00 0.00 0.00 44.72 42.87 1ad0 s GLY 16 CO 0.00 -1.38 -0.02 -0.56 0.00 0.00 0.00 173.10 171.14 1ad0 s SER 17 N -4.74 4.63 -0.05 1.64 0.01 -1.26 -1.31 113.70 112.62 1ad0 s SER 17 Ca 0.65 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.14 1ad0 s SER 17 Cb -0.05 -0.92 0.07 0.00 0.21 0.00 0.00 66.02 65.32 1ad0 s SER 17 CO 0.43 0.07 0.64 -0.22 0.41 0.00 0.00 173.24 174.57 1ad0 s LEU 18 N -3.10 -0.50 -0.10 2.44 2.96 -0.26 -4.97 118.68 115.13 1ad0 s LEU 18 Ca 0.28 0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 54.85 1ad0 s LEU 18 Cb -0.08 2.40 0.03 0.00 0.50 0.00 0.00 46.19 49.04 1ad0 s LEU 18 CO 0.18 -0.58 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.99 1ad0 s ARG 19 N -1.16 1.15 0.22 1.98 3.52 -1.26 0.06 118.95 123.47 1ad0 s ARG 19 Ca -0.11 -0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 1ad0 s ARG 19 Cb -0.01 -1.41 -0.04 0.00 -1.56 0.00 0.00 34.95 31.93 1ad0 s ARG 19 CO 0.09 -0.30 0.42 -0.51 -0.81 0.00 0.00 175.30 174.18 1ad0 s LEU 20 N 1.81 4.20 0.06 -0.88 1.43 -0.09 -4.70 118.68 120.50 1ad0 s LEU 20 Ca 0.04 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1ad0 s LEU 20 Cb -0.13 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 1ad0 s LEU 20 CO -0.07 -0.08 -0.12 -0.94 0.23 0.00 0.00 176.35 175.37 1ad0 s SER 21 N -3.26 1.40 -0.27 2.29 1.04 0.03 -1.31 113.70 113.62 1ad0 s SER 21 Ca 0.39 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 1ad0 s SER 21 Cb -0.11 -0.03 0.09 0.00 0.10 0.00 0.00 66.02 66.07 1ad0 s SER 21 CO 0.30 -0.10 0.07 0.00 0.98 0.00 0.00 173.24 174.49 1ad0 s ALA 23 N 1.73 3.40 0.42 0.00 0.00 -0.72 -0.47 121.76 126.11 1ad0 s ALA 23 Ca 0.05 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.17 1ad0 s ALA 23 Cb -0.17 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1ad0 s ALA 23 CO -0.20 -0.30 0.31 0.95 0.00 0.00 0.00 175.76 176.52 1ad0 s THR 24 N 1.27 2.54 -0.21 0.00 -4.23 -0.02 -1.62 115.64 113.37 1ad0 s THR 24 Ca 0.37 -1.46 -0.35 0.00 -1.18 0.00 0.00 61.69 59.07 1ad0 s THR 24 Cb -0.17 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 70.81 1ad0 s THR 24 CO 0.16 0.00 1.24 -0.94 -0.54 0.00 0.00 174.62 174.55 1ad0 s SER 25 N -4.06 -0.11 0.00 3.99 1.04 -0.91 -4.92 113.70 108.74 1ad0 s SER 25 Ca 0.46 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1ad0 s SER 25 Cb -0.01 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1ad0 s SER 25 CO 0.26 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1ad0 n GLY 26 N -0.03 0.73 3.46 7.32 0.00 -1.25 -0.77 105.19 114.65 1ad0 n GLY 26 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1ad0 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ad0 s PHE 27 N -2.52 -0.49 -0.53 1.61 -0.71 -1.26 -4.08 117.98 110.00 1ad0 s PHE 27 Ca 0.00 0.39 -0.27 0.00 -1.04 0.00 0.00 56.93 56.00 1ad0 s PHE 27 Cb 0.00 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 42.34 1ad0 s PHE 27 CO 0.00 -0.72 1.66 0.99 -1.34 0.00 0.00 175.22 175.82 1ad0 s THR 28 N -3.21 3.56 0.17 -4.49 2.01 -1.26 -4.91 115.64 107.52 1ad0 s THR 28 Ca 0.01 0.45 -0.19 0.00 0.31 0.00 0.00 61.69 62.28 1ad0 s THR 28 Cb -0.01 -4.09 0.11 0.00 0.01 0.00 0.00 72.50 68.53 1ad0 s THR 28 CO -0.09 -0.92 1.63 0.15 -0.69 0.00 0.00 174.62 174.71 1ad0 h PHE 29 N 12.89 -0.49 0.00 4.92 3.57 -1.96 -2.55 116.94 133.32 1ad0 h PHE 29 Ca -0.28 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1ad0 h PHE 29 Cb 1.13 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1ad0 h PHE 29 CO 1.02 -0.28 0.00 0.25 -2.23 0.00 0.00 178.31 177.07 1ad0 n THR 30 N -5.38 0.50 0.83 4.41 -2.24 -1.26 -2.85 114.28 108.29 1ad0 n THR 30 Ca 0.03 0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1ad0 n THR 30 Cb 0.29 -0.82 0.34 0.00 -2.10 0.00 0.00 70.33 68.04 1ad0 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ad0 n ASP 31 N -1.32 0.47 -4.39 3.42 8.00 -0.96 -2.19 116.55 119.59 1ad0 n ASP 31 Ca 0.08 0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.43 1ad0 n ASP 31 Cb 0.16 -0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.03 1ad0 n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ad0 s TYR 32 N -3.06 2.31 -0.06 1.24 1.51 -1.13 -4.91 117.35 113.25 1ad0 s TYR 32 Ca 0.10 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 1ad0 s TYR 32 Cb 0.16 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1ad0 s TYR 32 CO 0.65 0.33 1.01 0.71 -1.11 0.00 0.00 175.55 177.14 1ad0 s TYR 33 N -1.05 3.55 -0.13 2.71 1.51 -1.26 -4.39 117.35 118.29 1ad0 s TYR 33 Ca 0.14 1.61 -0.04 0.00 -1.01 0.00 0.00 57.07 57.77 1ad0 s TYR 33 Cb -0.10 -3.18 -0.03 0.00 -0.11 0.00 0.00 41.96 38.54 1ad0 s TYR 33 CO 0.06 -0.21 0.00 -1.64 -1.11 0.00 0.00 175.55 172.65 1ad0 s MET 34 N 1.63 3.45 0.48 -0.62 -1.94 -1.10 -1.68 119.30 119.52 1ad0 s MET 34 Ca 0.50 -0.43 0.03 0.00 -1.71 0.00 0.00 55.69 54.08 1ad0 s MET 34 Cb -0.20 -2.93 -0.03 0.00 2.01 0.00 0.00 34.83 33.68 1ad0 s MET 34 CO 0.22 0.45 0.00 -0.80 -0.01 0.00 0.00 175.02 174.88 1ad0 s ASN 35 N -0.17 4.05 -0.03 3.03 0.01 -0.54 -1.69 114.94 119.60 1ad0 s ASN 35 Ca 0.05 -1.58 -0.01 0.00 -0.71 0.00 0.00 52.86 50.60 1ad0 s ASN 35 Cb -0.13 0.29 0.03 0.00 0.41 0.00 0.00 41.25 41.86 1ad0 s ASN 35 CO 0.02 -0.75 0.04 0.26 -1.51 0.00 0.00 177.10 175.15 1ad0 s TRP 36 N -2.84 0.13 -0.01 2.20 0.52 -0.93 -1.74 118.94 116.27 1ad0 s TRP 36 Ca 0.13 0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.43 1ad0 s TRP 36 Cb 0.04 -0.41 -0.01 0.00 -1.15 0.00 0.00 33.47 31.94 1ad0 s TRP 36 CO 0.07 -0.16 -0.12 0.08 0.02 0.00 0.00 176.95 176.84 1ad0 s VAL 37 N 1.61 0.95 0.16 4.03 1.01 -0.15 0.02 120.40 128.04 1ad0 s VAL 37 Ca -0.02 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1ad0 s VAL 37 Cb -0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1ad0 s VAL 37 CO -0.03 0.27 -0.21 0.00 0.00 0.00 0.00 175.10 175.13 1ad0 s ARG 38 N -0.18 1.34 -0.13 2.72 1.70 -0.24 0.39 118.95 124.55 1ad0 s ARG 38 Ca 0.03 -1.41 -0.02 0.00 -0.47 0.00 0.00 55.73 53.86 1ad0 s ARG 38 Cb -0.06 -1.54 0.04 0.00 -0.57 0.00 0.00 34.95 32.82 1ad0 s ARG 38 CO -0.00 0.33 0.00 -1.14 -1.08 0.00 0.00 175.30 173.41 1ad0 s GLN 39 N -2.59 0.76 0.12 3.89 0.74 0.17 -1.06 119.66 121.70 1ad0 s GLN 39 Ca 0.16 -0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.11 1ad0 s GLN 39 Cb -0.07 -1.51 -0.07 0.00 1.10 0.00 0.00 33.01 32.46 1ad0 s GLN 39 CO 0.07 -0.43 1.16 0.00 -0.55 0.00 0.00 175.29 175.54 1ad0 s ALA 40 N 1.88 3.39 0.00 1.58 0.00 -1.25 -1.18 121.76 126.19 1ad0 s ALA 40 Ca 0.03 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1ad0 s ALA 40 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1ad0 s ALA 40 CO -0.07 -0.34 0.00 -0.35 0.00 0.00 0.00 175.76 175.01 1ad0 n PRO 41 N 3.09 0.00 0.00 0.00 -0.04 -1.26 0.73 135.00 137.52 1ad0 n PRO 41 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ad0 n PRO 41 Cb 0.46 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 1ad0 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ad0 n GLY 42 N 0.75 0.44 0.00 0.55 0.00 -1.26 -5.14 105.19 100.53 1ad0 n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ad0 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ad0 n LYS 43 N 0.00 2.13 -0.05 1.61 4.01 0.22 -5.13 118.16 120.96 1ad0 n LYS 43 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ad0 n LYS 43 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1ad0 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ad0 n GLY 44 N 5.00 -0.21 3.41 0.72 0.00 -1.26 -4.68 105.19 108.17 1ad0 n GLY 44 Ca 0.00 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1ad0 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ad0 s LEU 45 N 0.00 3.04 -0.13 0.99 1.43 -1.26 -3.78 118.68 118.97 1ad0 s LEU 45 Ca 0.00 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1ad0 s LEU 45 Cb 0.00 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1ad0 s LEU 45 CO 0.00 0.10 -0.16 -0.70 0.23 0.00 0.00 176.35 175.82 1ad0 s GLU 46 N 0.75 2.36 0.26 1.70 2.12 -0.23 -4.97 118.70 120.68 1ad0 s GLU 46 Ca -0.02 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 1ad0 s GLU 46 Cb -0.15 -2.04 -0.09 0.00 0.26 0.00 0.00 34.13 32.12 1ad0 s GLU 46 CO 0.02 -0.11 1.16 -0.46 -0.54 0.00 0.00 175.26 175.32 1ad0 s TRP 47 N 1.13 3.46 -0.19 5.30 -0.00 -1.26 -1.08 118.94 126.30 1ad0 s TRP 47 Ca -0.03 1.58 0.02 0.00 -0.00 0.00 0.00 56.10 57.67 1ad0 s TRP 47 Cb -0.14 -3.38 -0.13 0.00 -0.00 0.00 0.00 33.47 29.81 1ad0 s TRP 47 CO -0.05 -0.93 -0.16 1.28 -0.00 0.00 0.00 176.95 177.10 1ad0 n LEU 48 N 1.56 2.81 0.00 5.86 4.77 0.10 -4.67 117.00 127.43 1ad0 n LEU 48 Ca 0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1ad0 n LEU 48 Cb 0.44 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1ad0 n LEU 48 CO 0.55 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.02 1ad0 n GLY 49 N 2.54 -1.74 3.62 -0.72 0.00 -1.21 -1.58 105.19 106.11 1ad0 n GLY 49 Ca -0.34 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 1ad0 n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ad0 s PHE 50 N -2.68 0.20 -0.14 1.61 -0.12 -0.22 -2.19 117.98 114.44 1ad0 s PHE 50 Ca 0.00 -0.58 -0.02 0.00 -0.05 0.00 0.00 56.93 56.28 1ad0 s PHE 50 Cb 0.00 0.30 0.05 0.00 -0.63 0.00 0.00 43.02 42.74 1ad0 s PHE 50 CO 0.00 -1.02 0.02 -1.50 -0.05 0.00 0.00 175.22 172.67 1ad0 s ILE 51 N -3.98 0.47 1.14 -4.49 2.07 -0.68 -1.69 121.20 114.03 1ad0 s ILE 51 Ca 0.18 -0.27 -0.16 0.00 -1.41 0.00 0.00 60.65 59.00 1ad0 s ILE 51 Cb -0.02 -0.82 0.24 0.00 0.13 0.00 0.00 42.46 41.99 1ad0 s ILE 51 CO 0.07 -0.00 0.54 0.61 -1.91 0.00 0.00 174.94 174.25 1ad0 n GLY 52 N 5.09 -2.89 2.72 1.50 0.00 0.14 -2.73 105.19 109.02 1ad0 n GLY 52 Ca -0.08 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1ad0 n GLY 52 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ad0 n ASN 52 N -2.66 1.20 -0.14 1.61 6.94 -1.26 -4.26 115.26 116.69 1ad0 n ASN 52 Ca 0.09 -1.93 -0.07 0.00 -0.02 0.00 0.00 54.58 52.64 1ad0 n ASN 52 Cb 0.40 -0.38 0.01 0.00 -2.36 0.00 0.00 39.78 37.45 1ad0 n ASN 52 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1ad0 h LYS 52 N 0.00 0.52 -0.03 -3.83 3.64 -1.80 -0.47 116.57 114.60 1ad0 h LYS 52 Ca -0.21 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1ad0 h LYS 52 Cb 0.86 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1ad0 h LYS 52 CO 0.26 0.34 0.21 0.00 -2.27 0.00 0.00 179.45 177.99 1ad0 h ALA 52 N 1.17 1.29 -0.17 5.00 0.00 -1.96 -0.51 119.26 124.09 1ad0 h ALA 52 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ad0 h ALA 52 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ad0 h ALA 52 CO -0.06 -0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.06 1ad0 n ASN 53 N -3.07 2.33 -0.07 0.00 4.13 -0.85 -4.99 115.26 112.74 1ad0 n ASN 53 Ca -0.02 -1.73 -0.01 0.00 1.68 0.00 0.00 54.58 54.50 1ad0 n ASN 53 Cb 0.28 -0.11 -0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1ad0 n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ad0 n GLY 54 N 0.41 0.49 3.46 7.41 0.00 -0.20 -4.01 105.19 112.74 1ad0 n GLY 54 Ca 0.08 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 1ad0 n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ad0 n TYR 55 N -2.94 -2.21 -2.74 1.61 4.01 -0.24 -4.97 117.16 109.68 1ad0 n TYR 55 Ca -0.01 0.94 -0.39 0.00 -0.16 0.00 0.00 57.90 58.28 1ad0 n TYR 55 Cb 0.05 -5.03 -0.06 0.00 -0.31 0.00 0.00 39.34 33.98 1ad0 n TYR 55 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1ad0 s THR 56 N -3.38 4.08 0.19 -0.72 -4.23 -1.26 -4.46 115.64 105.87 1ad0 s THR 56 Ca 0.03 1.93 0.04 0.00 -1.18 0.00 0.00 61.69 62.51 1ad0 s THR 56 Cb -0.01 -4.16 -0.03 0.00 1.34 0.00 0.00 72.50 69.63 1ad0 s THR 56 CO 0.74 0.33 0.27 0.42 -0.54 0.00 0.00 174.62 175.83 1ad0 s THR 57 N -1.37 5.04 -0.04 3.99 -4.23 -1.26 0.28 115.64 118.04 1ad0 s THR 57 Ca 0.45 -0.93 -0.06 0.00 -1.18 0.00 0.00 61.69 59.97 1ad0 s THR 57 Cb -0.23 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 69.97 1ad0 s THR 57 CO 0.29 -0.19 0.16 -0.70 -0.54 0.00 0.00 174.62 173.64 1ad0 s GLU 58 N -3.49 0.29 0.06 3.99 2.56 -0.68 -4.96 118.70 116.47 1ad0 s GLU 58 Ca 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.97 55.33 1ad0 s GLU 58 Cb -0.10 0.13 -0.04 0.00 2.00 0.00 0.00 34.13 36.13 1ad0 s GLU 58 CO 0.27 -0.05 -0.04 0.71 -0.56 0.00 0.00 175.26 175.59 1ad0 s TYR 59 N -0.40 0.57 0.47 5.30 2.02 -1.26 -1.06 117.35 122.99 1ad0 s TYR 59 Ca -0.05 -0.95 -0.16 0.00 -0.37 0.00 0.00 57.07 55.53 1ad0 s TYR 59 Cb -0.03 -0.39 -0.08 0.00 -0.40 0.00 0.00 41.96 41.05 1ad0 s TYR 59 CO 0.01 -0.30 0.93 -1.54 -1.57 0.00 0.00 175.55 173.08 1ad0 s SER 60 N -2.72 6.67 0.51 2.29 1.04 -0.62 -4.87 113.70 116.00 1ad0 s SER 60 Ca 0.05 1.51 0.17 0.00 0.48 0.00 0.00 55.95 58.15 1ad0 s SER 60 Cb 0.05 -2.48 1.24 0.00 0.10 0.00 0.00 66.02 64.93 1ad0 s SER 60 CO -0.08 -0.50 2.11 0.00 0.98 0.00 0.00 173.24 175.75 1ad0 h ALA 61 N 1.20 2.06 0.00 5.32 0.00 -1.95 -1.15 119.26 124.74 1ad0 h ALA 61 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1ad0 h ALA 61 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ad0 h ALA 61 CO 0.62 -0.09 -0.03 0.66 0.00 0.00 0.00 179.25 180.41 1ad0 h SER 62 N 0.07 0.00 0.00 0.00 4.64 -1.96 -3.24 113.55 113.06 1ad0 h SER 62 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1ad0 h SER 62 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1ad0 h SER 62 CO -0.01 0.03 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 1ad0 n VAL 63 N -3.17 0.00 -1.90 0.95 0.24 -0.90 -5.01 118.33 108.53 1ad0 n VAL 63 Ca -0.01 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 1ad0 n VAL 63 Cb 0.23 1.35 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 1ad0 n VAL 63 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ad0 s LYS 64 N -0.06 4.19 0.00 7.34 2.20 -0.48 -1.34 119.74 131.58 1ad0 s LYS 64 Ca 0.00 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1ad0 s LYS 64 Cb 0.00 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1ad0 s LYS 64 CO 0.00 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 1ad0 n GLY 65 N 4.01 3.18 0.55 5.54 0.00 -1.26 -4.87 105.19 112.35 1ad0 n GLY 65 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1ad0 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ad0 n ARG 66 N -1.47 0.29 -3.32 1.61 1.74 -0.66 -5.02 116.66 109.83 1ad0 n ARG 66 Ca 0.00 0.12 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 1ad0 n ARG 66 Cb 0.00 -1.00 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1ad0 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ad0 s PHE 67 N -2.35 3.57 -0.06 -1.55 0.40 -0.45 -2.79 117.98 114.75 1ad0 s PHE 67 Ca -0.18 1.08 -0.02 0.00 -0.60 0.00 0.00 56.93 57.22 1ad0 s PHE 67 Cb 0.05 -2.39 0.03 0.00 0.51 0.00 0.00 43.02 41.22 1ad0 s PHE 67 CO 0.24 0.37 0.03 0.99 0.70 0.00 0.00 175.22 177.55 1ad0 s THR 68 N -1.56 0.16 -0.10 0.64 2.01 0.50 -4.80 115.64 112.48 1ad0 s THR 68 Ca 0.41 0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.57 1ad0 s THR 68 Cb -0.14 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1ad0 s THR 68 CO 0.20 0.22 0.19 -0.63 -0.69 0.00 0.00 174.62 173.91 1ad0 s ILE 69 N 2.00 5.41 0.21 1.82 1.01 -1.26 -0.95 121.20 129.43 1ad0 s ILE 69 Ca 0.04 0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 1ad0 s ILE 69 Cb -0.12 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1ad0 s ILE 69 CO -0.04 0.60 0.38 -0.94 0.00 0.00 0.00 174.94 174.93 1ad0 s SER 70 N -0.93 -0.04 0.07 3.58 1.04 -1.03 -4.96 113.70 111.43 1ad0 s SER 70 Ca 0.16 -0.90 -0.06 0.00 0.48 0.00 0.00 55.95 55.63 1ad0 s SER 70 Cb -0.13 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1ad0 s SER 70 CO 0.05 -1.01 0.12 0.00 0.98 0.00 0.00 173.24 173.39 1ad0 s ARG 71 N -4.00 0.74 -0.29 4.02 1.70 -1.26 -0.50 118.95 119.36 1ad0 s ARG 71 Ca 0.20 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 1ad0 s ARG 71 Cb 0.01 0.29 0.09 0.00 -0.57 0.00 0.00 34.95 34.78 1ad0 s ARG 71 CO 0.05 -0.21 0.06 0.34 -1.08 0.00 0.00 175.30 174.45 1ad0 s ASP 72 N -2.73 4.03 0.26 -2.89 2.15 -0.37 -5.00 116.67 112.11 1ad0 s ASP 72 Ca 0.04 -1.58 -0.02 0.00 0.43 0.00 0.00 52.55 51.41 1ad0 s ASP 72 Cb 0.05 -1.03 0.47 0.00 -0.30 0.00 0.00 42.92 42.10 1ad0 s ASP 72 CO -0.09 -0.37 1.80 0.50 -0.17 0.00 0.00 175.17 176.84 1ad0 h LYS 73 N 7.99 0.74 0.00 4.34 3.64 -1.98 -0.58 116.57 130.73 1ad0 h LYS 73 Ca -0.13 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1ad0 h LYS 73 Cb 1.04 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1ad0 h LYS 73 CO 0.46 0.49 -0.02 0.66 -2.27 0.00 0.00 179.45 178.77 1ad0 h SER 74 N 0.77 0.00 -0.00 4.20 4.64 -1.97 -2.84 113.55 118.35 1ad0 h SER 74 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1ad0 h SER 74 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1ad0 h SER 74 CO -0.29 0.02 -0.36 0.29 -0.87 0.00 0.00 176.83 175.63 1ad0 n LYS 75 N -3.20 3.55 -3.76 4.77 5.02 -0.72 -5.00 118.16 118.82 1ad0 n LYS 75 Ca -0.02 -0.16 -0.27 0.00 -2.02 0.00 0.00 58.31 55.85 1ad0 n LYS 75 Cb 0.17 -0.96 0.05 0.00 -0.02 0.00 0.00 35.03 34.27 1ad0 n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ad0 n SER 76 N -0.95 -4.87 -4.18 4.39 7.64 -0.30 -4.75 113.62 110.59 1ad0 n SER 76 Ca 0.02 -0.69 -0.26 0.00 1.01 0.00 0.00 58.87 58.95 1ad0 n SER 76 Cb 0.15 -4.37 -0.15 0.00 -1.01 0.00 0.00 64.21 58.83 1ad0 n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ad0 s THR 77 N -3.35 1.47 0.02 0.44 2.01 -1.13 -0.84 115.64 114.26 1ad0 s THR 77 Ca 0.54 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1ad0 s THR 77 Cb -0.26 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1ad0 s THR 77 CO 0.79 0.42 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.87 1ad0 s LEU 78 N -0.42 3.28 0.12 4.42 2.96 0.38 -1.24 118.68 128.18 1ad0 s LEU 78 Ca 0.07 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1ad0 s LEU 78 Cb -0.07 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1ad0 s LEU 78 CO -0.01 0.26 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.82 1ad0 s TYR 79 N -1.07 1.51 -0.28 5.38 2.02 0.35 0.28 117.35 125.54 1ad0 s TYR 79 Ca 0.19 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1ad0 s TYR 79 Cb -0.11 -0.80 0.09 0.00 -0.40 0.00 0.00 41.96 40.74 1ad0 s TYR 79 CO 0.10 0.18 0.08 -1.17 -1.57 0.00 0.00 175.55 173.16 1ad0 s LEU 80 N -2.33 1.86 -0.36 -1.29 2.96 -0.43 -2.47 118.68 116.62 1ad0 s LEU 80 Ca 0.09 -1.38 -0.23 0.00 -0.22 0.00 0.00 54.13 52.39 1ad0 s LEU 80 Cb -0.06 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.86 1ad0 s LEU 80 CO 0.04 -0.38 0.76 -1.58 -1.32 0.00 0.00 176.35 173.87 1ad0 s GLN 81 N 1.70 3.73 -0.15 1.98 2.00 -0.13 -0.91 119.66 127.89 1ad0 s GLN 81 Ca 0.06 0.26 -0.03 0.00 -2.00 0.00 0.00 55.36 53.65 1ad0 s GLN 81 Cb -0.17 -3.81 -0.02 0.00 0.80 0.00 0.00 33.01 29.80 1ad0 s GLN 81 CO -0.21 -0.84 -0.06 -1.64 -0.50 0.00 0.00 175.29 172.05 1ad0 s MET 82 N 3.04 3.57 0.18 1.67 -1.94 0.11 -0.37 119.30 125.55 1ad0 s MET 82 Ca 0.30 -0.56 0.07 0.00 -1.71 0.00 0.00 55.69 53.79 1ad0 s MET 82 Cb -0.13 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.82 1ad0 s MET 82 CO 0.17 0.26 -0.13 -0.80 -0.01 0.00 0.00 175.02 174.50 1ad0 s ASN 82 N 0.30 2.27 -1.40 3.03 0.02 -1.12 -1.11 114.94 116.93 1ad0 s ASN 82 Ca -0.05 -1.00 -0.05 0.00 -1.02 0.00 0.00 52.86 50.74 1ad0 s ASN 82 Cb -0.14 -0.09 0.03 0.00 0.02 0.00 0.00 41.25 41.07 1ad0 s ASN 82 CO 0.04 -0.22 0.76 0.41 0.02 0.00 0.00 177.10 178.10 1ad0 n THR 82 N -0.25 -3.47 -1.79 1.60 -1.04 -1.11 -4.70 114.28 103.52 1ad0 n THR 82 Ca -0.09 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.05 61.20 1ad0 n THR 82 Cb 0.60 -3.31 0.04 0.00 -1.82 0.00 0.00 70.33 65.84 1ad0 n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ad0 s LEU 82 N -6.91 3.83 0.24 -4.42 1.43 -0.43 -4.61 118.68 107.81 1ad0 s LEU 82 Ca 0.23 2.75 0.01 0.00 -1.03 0.00 0.00 54.13 56.08 1ad0 s LEU 82 Cb -0.11 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1ad0 s LEU 82 CO 0.83 -1.59 0.14 -1.10 0.23 0.00 0.00 176.35 174.85 1ad0 s GLN 83 N -2.94 1.35 0.28 1.70 -0.21 -1.26 0.19 119.66 118.77 1ad0 s GLN 83 Ca 0.72 -1.74 0.02 0.00 0.02 0.00 0.00 55.36 54.38 1ad0 s GLN 83 Cb -0.40 0.08 0.63 0.00 1.00 0.00 0.00 33.01 34.32 1ad0 s GLN 83 CO 0.47 -0.39 1.74 0.00 -2.12 0.00 0.00 175.29 174.99 1ad0 h ALA 84 N 2.46 1.39 0.00 6.09 0.00 -1.97 -0.69 119.26 126.54 1ad0 h ALA 84 Ca -0.35 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ad0 h ALA 84 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ad0 h ALA 84 CO 0.54 -0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.77 1ad0 n GLU 85 N -4.91 0.70 -0.05 0.00 0.00 -1.26 -2.65 120.64 112.47 1ad0 n GLU 85 Ca 0.20 0.01 0.12 0.00 0.00 0.00 0.00 57.16 57.48 1ad0 n GLU 85 Cb 0.53 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.75 1ad0 n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ad0 n ASP 86 N -1.02 2.47 -4.63 -1.84 8.00 -0.27 -4.87 116.55 114.40 1ad0 n ASP 86 Ca 0.17 -1.82 -0.43 0.00 0.71 0.00 0.00 54.79 53.42 1ad0 n ASP 86 Cb 0.09 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1ad0 n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ad0 s SER 87 N -1.83 6.63 0.07 -2.24 0.01 -1.09 -4.86 113.70 110.39 1ad0 s SER 87 Ca 0.34 1.19 -0.26 0.00 1.31 0.00 0.00 55.95 58.53 1ad0 s SER 87 Cb 0.20 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.99 1ad0 s SER 87 CO 0.31 -1.12 1.17 0.00 0.41 0.00 0.00 173.24 174.01 1ad0 s ALA 88 N 4.51 -2.05 -0.18 1.44 0.00 -0.89 -4.60 121.76 119.98 1ad0 s ALA 88 Ca 0.57 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 1ad0 s ALA 88 Cb -0.17 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1ad0 s ALA 88 CO 0.24 -1.09 0.43 0.42 0.00 0.00 0.00 175.76 175.76 1ad0 s ILE 89 N -2.25 5.19 -0.25 0.00 1.01 -0.32 -0.94 121.20 123.64 1ad0 s ILE 89 Ca 0.22 0.79 -0.09 0.00 0.00 0.00 0.00 60.65 61.58 1ad0 s ILE 89 Cb -0.00 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1ad0 s ILE 89 CO 0.01 0.26 0.11 -0.31 0.00 0.00 0.00 174.94 175.01 1ad0 s TYR 90 N 1.16 3.15 -0.10 3.97 1.51 -0.53 -0.65 117.35 125.86 1ad0 s TYR 90 Ca 0.21 -0.18 -0.02 0.00 -1.01 0.00 0.00 57.07 56.08 1ad0 s TYR 90 Cb -0.15 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.41 1ad0 s TYR 90 CO 0.08 -0.23 -0.02 0.71 -1.11 0.00 0.00 175.55 174.99 1ad0 s TYR 91 N 1.50 3.09 -0.19 2.71 2.02 0.16 -2.14 117.35 124.50 1ad0 s TYR 91 Ca 0.06 0.06 -0.09 0.00 -0.37 0.00 0.00 57.07 56.73 1ad0 s TYR 91 Cb -0.15 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1ad0 s TYR 91 CO 0.06 0.33 0.11 0.00 -1.57 0.00 0.00 175.55 174.47 1ad0 s THR 93 N 0.22 1.79 -0.12 0.00 -1.32 -0.71 -2.14 115.64 113.35 1ad0 s THR 93 Ca 0.07 -2.14 0.00 0.00 -1.21 0.00 0.00 61.69 58.41 1ad0 s THR 93 Cb -0.11 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.35 1ad0 s THR 93 CO -0.01 -0.27 -0.13 -0.60 -2.21 0.00 0.00 174.62 171.41 1ad0 s ARG 94 N -3.70 3.28 -0.07 7.08 3.00 0.22 -1.46 118.95 127.30 1ad0 s ARG 94 Ca 0.30 -0.67 -0.21 0.00 -1.00 0.00 0.00 55.73 54.16 1ad0 s ARG 94 Cb 0.04 -2.61 -0.04 0.00 0.00 0.00 0.00 34.95 32.33 1ad0 s ARG 94 CO 0.13 0.28 0.58 0.34 0.00 0.00 0.00 175.30 176.63 1ad0 s ASP 95 N 0.19 6.87 0.25 -2.12 -1.08 -0.68 -1.28 116.67 118.81 1ad0 s ASP 95 Ca -0.07 1.04 -0.02 0.00 -0.52 0.00 0.00 52.55 52.97 1ad0 s ASP 95 Cb -0.15 -2.35 0.29 0.00 -1.46 0.00 0.00 42.92 39.25 1ad0 s ASP 95 CO 0.05 -0.01 1.71 -0.09 0.52 0.00 0.00 175.17 177.35 1ad0 h ARG 96 N 6.42 0.75 0.00 4.34 9.65 -1.62 -3.39 114.38 130.54 1ad0 h ARG 96 Ca -0.42 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.22 1ad0 h ARG 96 Cb 1.19 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1ad0 h ARG 96 CO 0.74 0.83 0.00 0.41 2.80 0.00 0.00 179.97 184.75 1ad0 n GLY 97 N -0.48 4.89 3.24 2.80 0.00 -1.26 -5.00 105.19 109.39 1ad0 n GLY 97 Ca 0.01 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 1ad0 n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ad0 s LEU 98 N 0.00 3.64 -1.46 0.99 0.20 -1.26 -4.53 118.68 116.25 1ad0 s LEU 98 Ca 0.00 -0.95 -0.07 0.00 0.69 0.00 0.00 54.13 53.79 1ad0 s LEU 98 Cb 0.00 -1.75 0.05 0.00 -0.43 0.00 0.00 46.19 44.06 1ad0 s LEU 98 CO 0.00 -0.20 0.75 0.54 -0.29 0.00 0.00 176.35 177.16 1ad0 n ARG 99 N 4.72 -4.54 0.00 1.98 1.74 -1.26 -4.94 116.66 114.36 1ad0 n ARG 99 Ca -0.15 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1ad0 n ARG 99 Cb 0.46 -5.14 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 1ad0 n ARG 99 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ad0 n PHE 100 N -4.46 0.00 -3.84 -1.55 7.35 -1.26 -5.14 117.46 108.55 1ad0 n PHE 100 Ca -0.13 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.47 1ad0 n PHE 100 Cb 0.60 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.37 1ad0 n PHE 100 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 1ad0 s TYR 100 N 0.60 0.15 -0.72 -5.13 1.13 -1.26 -5.02 117.35 107.09 1ad0 s TYR 100 Ca 0.00 -0.52 -0.20 0.00 -1.41 0.00 0.00 57.07 54.94 1ad0 s TYR 100 Cb 0.00 0.07 0.10 0.00 -1.10 0.00 0.00 41.96 41.03 1ad0 s TYR 100 CO 0.00 -0.70 0.93 -0.06 -2.51 0.00 0.00 175.55 173.20 1ad0 s PHE 100 N -3.90 2.92 -0.16 -3.49 0.08 -1.26 -1.57 117.98 110.61 1ad0 s PHE 100 Ca 0.10 -0.95 0.16 0.00 0.12 0.00 0.00 56.93 56.37 1ad0 s PHE 100 Cb 0.03 -4.19 0.13 0.00 -0.57 0.00 0.00 43.02 38.42 1ad0 s PHE 100 CO -0.05 -1.48 1.48 0.38 -0.10 0.00 0.00 175.22 175.44 1ad0 h ASP 101 N 9.20 0.00 -4.07 1.36 2.03 -1.53 -3.46 116.42 119.95 1ad0 h ASP 101 Ca -0.16 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.79 1ad0 h ASP 101 Cb 1.06 0.00 -0.28 0.00 -0.83 0.00 0.00 39.33 39.29 1ad0 h ASP 101 CO 1.12 0.45 -0.76 -0.31 -1.03 0.00 0.00 179.24 178.71 1ad0 s TYR 102 N -3.02 0.68 0.10 4.15 2.02 -1.23 -5.01 117.35 115.04 1ad0 s TYR 102 Ca 0.04 -0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1ad0 s TYR 102 Cb 0.08 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1ad0 s TYR 102 CO 0.73 -0.02 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.99 1ad0 s TRP 103 N -0.33 1.25 0.67 2.71 0.52 -1.26 -0.61 118.94 121.88 1ad0 s TRP 103 Ca 0.01 -0.57 -0.01 0.00 0.02 0.00 0.00 56.10 55.56 1ad0 s TRP 103 Cb -0.04 -0.67 0.09 0.00 -1.15 0.00 0.00 33.47 31.70 1ad0 s TRP 103 CO -0.00 0.08 0.93 0.20 0.02 0.00 0.00 176.95 178.17 1ad0 s GLY 104 N -2.32 1.78 0.00 0.98 0.00 -0.91 -4.61 107.32 102.24 1ad0 s GLY 104 Ca 0.06 -1.54 0.28 0.00 0.00 0.00 0.00 44.72 43.51 1ad0 s GLY 104 CO 0.02 -1.08 1.76 -1.06 0.00 0.00 0.00 173.10 172.74 1ad0 n GLN 105 N -2.68 0.03 0.00 2.90 1.13 -1.26 -4.81 117.38 112.68 1ad0 n GLN 105 Ca 0.12 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1ad0 n GLN 105 Cb 0.60 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1ad0 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ad0 n GLY 106 N 1.49 0.79 2.80 1.08 0.00 -1.26 -5.00 105.19 105.09 1ad0 n GLY 106 Ca 0.07 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 1ad0 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ad0 s THR 107 N -2.90 0.30 -0.01 2.61 -1.32 -0.91 -4.78 115.64 108.63 1ad0 s THR 107 Ca 0.00 0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.27 1ad0 s THR 107 Cb 0.00 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1ad0 s THR 107 CO 0.00 0.21 1.10 -0.22 -2.21 0.00 0.00 174.62 173.50 1ad0 s LEU 108 N 1.49 4.33 -0.11 9.08 2.96 -1.26 -1.45 118.68 133.72 1ad0 s LEU 108 Ca -0.03 1.78 0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1ad0 s LEU 108 Cb -0.13 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1ad0 s LEU 108 CO -0.03 -0.42 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.78 1ad0 s VAL 109 N 1.42 3.20 -0.20 1.68 1.01 -0.11 -1.73 120.40 125.67 1ad0 s VAL 109 Ca 0.54 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 1ad0 s VAL 109 Cb -0.24 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.87 1ad0 s VAL 109 CO 0.26 0.54 -0.05 -0.89 0.00 0.00 0.00 175.10 174.96 1ad0 s THR 110 N -0.03 1.29 -0.54 3.92 2.01 -0.37 -2.10 115.64 119.83 1ad0 s THR 110 Ca -0.03 -0.92 -0.17 0.00 0.31 0.00 0.00 61.69 60.88 1ad0 s THR 110 Cb -0.14 -1.53 0.11 0.00 0.01 0.00 0.00 72.50 70.94 1ad0 s THR 110 CO 0.04 -0.00 0.55 -0.69 -0.69 0.00 0.00 174.62 173.82 1ad0 s VAL 111 N 1.53 5.08 0.01 3.82 1.01 -1.26 0.03 120.40 130.62 1ad0 s VAL 111 Ca -0.03 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 1ad0 s VAL 111 Cb -0.17 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 31.90 1ad0 s VAL 111 CO -0.07 -0.88 0.33 -0.55 0.00 0.00 0.00 175.10 173.94 1ad0 s SER 112 N 3.33 -0.20 0.01 3.32 0.15 0.09 -4.56 113.70 115.85 1ad0 s SER 112 Ca 0.07 -0.00 0.26 0.00 0.70 0.00 0.00 55.95 56.97 1ad0 s SER 112 Cb -0.26 0.35 0.62 0.00 -1.71 0.00 0.00 66.02 65.02 1ad0 s SER 112 CO 0.05 -0.54 1.50 -1.54 1.20 0.00 0.00 173.24 173.91 1ad0 n SER 113 N 0.91 0.43 -4.66 5.45 3.41 -1.26 -3.94 113.62 113.96 1ad0 n SER 113 Ca -0.20 -0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.03 1ad0 n SER 113 Cb 0.58 0.10 0.17 0.00 -0.26 0.00 0.00 64.21 64.80 1ad0 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ad0 s ALA 114 N -3.02 1.14 0.26 7.33 0.00 -1.26 -5.04 121.76 121.17 1ad0 s ALA 114 Ca 0.11 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1ad0 s ALA 114 Cb 0.17 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1ad0 s ALA 114 CO 0.67 -2.73 0.23 -1.12 0.00 0.00 0.00 175.76 172.81 1ad0 s SER 115 N -3.06 5.61 0.04 0.00 0.01 -1.26 -5.03 113.70 110.01 1ad0 s SER 115 Ca 0.65 -0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.37 1ad0 s SER 115 Cb -0.20 -1.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.55 1ad0 s SER 115 CO 0.59 -0.08 1.29 -0.89 0.41 0.00 0.00 173.24 174.55 1ad0 s THR 116 N -2.13 3.84 -0.06 1.44 2.01 -1.26 -4.75 115.64 114.73 1ad0 s THR 116 Ca 0.34 1.29 -0.00 0.00 0.31 0.00 0.00 61.69 63.62 1ad0 s THR 116 Cb -0.08 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.63 1ad0 s THR 116 CO 0.26 0.06 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.49 1ad0 s LYS 117 N 1.56 0.60 0.62 4.92 2.20 -0.18 -4.97 119.74 124.50 1ad0 s LYS 117 Ca 0.61 0.06 -0.16 0.00 -0.36 0.00 0.00 55.97 56.12 1ad0 s LYS 117 Cb -0.31 -0.86 -0.02 0.00 -1.51 0.00 0.00 37.83 35.14 1ad0 s LYS 117 CO 0.28 -0.22 1.09 0.20 -0.36 0.00 0.00 175.35 176.33 1ad0 s GLY 118 N 1.57 2.19 0.64 5.54 0.00 -1.26 -1.50 107.32 114.50 1ad0 s GLY 118 Ca -0.01 0.50 -0.07 0.00 0.00 0.00 0.00 44.72 45.14 1ad0 s GLY 118 CO -0.03 0.84 0.96 2.56 0.00 0.00 0.00 173.10 177.42 1ad0 s PRO 119 N -4.00 2.69 -0.10 2.90 0.04 -1.26 -4.56 135.00 130.71 1ad0 s PRO 119 Ca 0.66 -0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.67 1ad0 s PRO 119 Cb -0.19 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1ad0 s PRO 119 CO 0.38 -0.90 -0.09 -1.12 0.04 0.00 0.00 177.00 175.31 1ad0 s SER 120 N -4.38 4.43 -0.29 6.66 0.01 0.12 -4.93 113.70 115.34 1ad0 s SER 120 Ca 0.56 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.62 1ad0 s SER 120 Cb -0.11 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.77 1ad0 s SER 120 CO 0.46 0.27 0.04 -0.69 0.41 0.00 0.00 173.24 173.73 1ad0 s VAL 121 N -0.24 3.60 -0.01 3.43 1.01 -1.26 -0.96 120.40 125.96 1ad0 s VAL 121 Ca 0.03 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1ad0 s VAL 121 Cb -0.13 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1ad0 s VAL 121 CO 0.03 0.07 -0.09 -0.36 0.00 0.00 0.00 175.10 174.74 1ad0 s PHE 122 N 1.43 2.84 0.38 5.22 0.08 -0.55 -4.93 117.98 122.44 1ad0 s PHE 122 Ca 0.01 -0.07 -0.24 0.00 0.12 0.00 0.00 56.93 56.75 1ad0 s PHE 122 Cb -0.17 -1.61 -0.10 0.00 -0.57 0.00 0.00 43.02 40.56 1ad0 s PHE 122 CO 0.00 0.33 0.98 -1.25 -0.10 0.00 0.00 175.22 175.18 1ad0 s PRO 123 N -1.22 4.34 -0.33 0.24 0.04 -1.26 0.65 135.00 137.46 1ad0 s PRO 123 Ca 0.15 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 1ad0 s PRO 123 Cb -0.11 -2.54 0.07 0.00 0.04 0.00 0.00 34.50 31.96 1ad0 s PRO 123 CO 0.05 0.05 0.05 -0.51 0.04 0.00 0.00 177.00 176.69 1ad0 s LEU 124 N -2.56 4.35 0.04 -3.56 1.43 0.32 -4.81 118.68 113.89 1ad0 s LEU 124 Ca 0.56 -1.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.07 1ad0 s LEU 124 Cb -0.17 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1ad0 s LEU 124 CO 0.22 -0.35 -0.09 0.00 0.23 0.00 0.00 176.35 176.36 1ad0 s ALA 125 N 1.16 0.67 0.74 4.21 0.00 -1.26 -1.31 121.76 125.97 1ad0 s ALA 125 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1ad0 s ALA 125 Cb -0.20 0.01 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1ad0 s ALA 125 CO -0.03 0.02 1.08 -1.25 0.00 0.00 0.00 175.76 175.58 1ad0 s PRO 126 N -1.49 2.56 0.18 0.00 0.04 -1.26 -4.98 135.00 130.04 1ad0 s PRO 126 Ca -0.08 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 1ad0 s PRO 126 Cb -0.09 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.57 1ad0 s PRO 126 CO 0.01 -1.34 1.72 0.00 0.04 0.00 0.00 177.00 177.43 1ad0 s SER 128 N -6.17 0.01 0.18 0.00 1.04 -1.26 -5.08 113.70 102.42 1ad0 s SER 128 Ca -0.13 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 1ad0 s SER 128 Cb 0.13 0.21 0.14 0.00 0.10 0.00 0.00 66.02 66.60 1ad0 s SER 128 CO 0.81 -0.36 1.78 -0.09 0.98 0.00 0.00 173.24 176.36 1ad0 h ARG 129 N 4.33 0.45 -4.38 4.02 2.43 -1.99 -3.49 114.38 115.75 1ad0 h ARG 129 Ca -0.31 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1ad0 h ARG 129 Cb 1.19 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 1ad0 h ARG 129 CO 0.40 0.30 -1.04 0.45 -1.51 0.00 0.00 179.97 178.57 1ad0 n SER 130 N -4.91 -4.49 0.12 -3.80 2.88 -1.26 -4.87 113.62 97.28 1ad0 n SER 130 Ca 0.04 1.31 0.12 0.00 -1.33 0.00 0.00 58.87 59.00 1ad0 n SER 130 Cb 0.14 -4.42 0.48 0.00 -0.75 0.00 0.00 64.21 59.65 1ad0 n SER 130 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ad0 n THR 131 N 1.43 0.83 0.25 2.46 -2.24 -1.26 -3.53 114.28 112.22 1ad0 n THR 131 Ca -0.17 0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 1ad0 n THR 131 Cb 0.26 -1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 67.29 1ad0 n THR 131 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ad0 h SER 132 N 0.00 -0.56 -3.46 3.42 0.02 -2.02 -3.43 113.55 107.52 1ad0 h SER 132 Ca 0.00 -0.08 -0.52 0.00 -0.84 0.00 0.00 61.79 60.35 1ad0 h SER 132 Cb 0.37 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1ad0 h SER 132 CO 0.00 -0.20 0.46 -1.61 -1.14 0.00 0.00 176.83 174.34 1ad0 s GLU 133 N -4.77 4.57 0.34 3.45 2.02 -1.23 -4.96 118.70 118.13 1ad0 s GLU 133 Ca -0.14 1.65 0.23 0.00 0.02 0.00 0.00 54.97 56.73 1ad0 s GLU 133 Cb 0.02 -3.33 0.33 0.00 0.10 0.00 0.00 34.13 31.25 1ad0 s GLU 133 CO 0.50 0.01 1.50 0.66 0.02 0.00 0.00 175.26 177.94 1ad0 h SER 134 N 5.78 0.00 -4.20 -0.19 4.64 -1.87 -3.43 113.55 114.28 1ad0 h SER 134 Ca -0.43 -0.01 -0.69 0.00 -0.47 0.00 0.00 61.79 60.18 1ad0 h SER 134 Cb 1.21 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.99 1ad0 h SER 134 CO 0.75 0.01 -0.88 -0.89 -0.87 0.00 0.00 176.83 174.94 1ad0 s THR 135 N -3.23 2.07 0.11 2.95 2.01 -1.26 -0.82 115.64 117.48 1ad0 s THR 135 Ca 0.06 -1.07 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1ad0 s THR 135 Cb 0.07 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1ad0 s THR 135 CO 0.69 0.57 -0.19 0.00 -0.69 0.00 0.00 174.62 175.00 1ad0 s ALA 136 N -0.31 1.77 -0.05 7.40 0.00 0.49 -4.77 121.76 126.29 1ad0 s ALA 136 Ca 0.01 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1ad0 s ALA 136 Cb -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1ad0 s ALA 136 CO 0.02 0.30 -0.14 0.00 0.00 0.00 0.00 175.76 175.95 1ad0 s ALA 137 N -1.41 2.69 0.45 0.00 0.00 -1.26 -1.09 121.76 121.14 1ad0 s ALA 137 Ca 0.08 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1ad0 s ALA 137 Cb -0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 1ad0 s ALA 137 CO 0.04 0.56 0.07 -0.51 0.00 0.00 0.00 175.76 175.93 1ad0 s LEU 138 N -0.74 2.14 0.00 0.00 1.43 -0.51 -4.45 118.68 116.55 1ad0 s LEU 138 Ca 0.12 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.56 1ad0 s LEU 138 Cb -0.11 -0.38 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1ad0 s LEU 138 CO 0.01 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.32 1ad0 n GLY 139 N -1.04 -1.46 3.02 -3.19 0.00 -0.43 -1.89 105.19 100.20 1ad0 n GLY 139 Ca -0.11 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 1ad0 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ad0 s LEU 141 N 0.19 4.59 -0.65 0.00 2.96 0.21 -1.31 118.68 124.68 1ad0 s LEU 141 Ca -0.01 -1.23 -0.20 0.00 -0.22 0.00 0.00 54.13 52.46 1ad0 s LEU 141 Cb -0.02 -1.91 0.10 0.00 0.50 0.00 0.00 46.19 44.85 1ad0 s LEU 141 CO -0.00 -0.39 0.84 -0.69 -1.32 0.00 0.00 176.35 174.78 1ad0 s VAL 142 N 1.42 4.64 0.12 1.68 1.01 0.66 -1.48 120.40 128.45 1ad0 s VAL 142 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1ad0 s VAL 142 Cb -0.20 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1ad0 s VAL 142 CO 0.03 -1.28 -0.05 -0.75 0.00 0.00 0.00 175.10 173.05 1ad0 s LYS 143 N 3.16 2.29 -0.94 2.72 2.20 -0.14 -1.05 119.74 127.98 1ad0 s LYS 143 Ca 0.17 -1.01 -0.05 0.00 -0.36 0.00 0.00 55.97 54.72 1ad0 s LYS 143 Cb -0.20 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 1ad0 s LYS 143 CO 0.06 0.50 0.83 -0.25 -0.36 0.00 0.00 175.35 176.13 1ad0 n ASP 144 N 0.43 -6.93 -4.27 1.43 8.00 -0.57 -0.70 116.55 113.94 1ad0 n ASP 144 Ca -0.12 -0.51 -0.16 0.00 0.71 0.00 0.00 54.79 54.71 1ad0 n ASP 144 Cb 0.53 -5.05 -0.10 0.00 -0.02 0.00 0.00 41.12 36.48 1ad0 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1ad0 s TYR 145 N -3.25 1.43 -0.28 1.24 -0.85 -0.92 -4.08 117.35 110.64 1ad0 s TYR 145 Ca 0.29 -0.64 -0.20 0.00 -0.52 0.00 0.00 57.07 55.99 1ad0 s TYR 145 Cb -0.05 -0.71 0.10 0.00 0.38 0.00 0.00 41.96 41.68 1ad0 s TYR 145 CO 0.76 0.18 0.83 0.12 -1.52 0.00 0.00 175.55 175.91 1ad0 s PHE 146 N -2.86 -0.77 0.00 -3.49 5.36 -0.56 -0.68 117.98 114.98 1ad0 s PHE 146 Ca 0.16 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 1ad0 s PHE 146 Cb -0.01 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 1ad0 s PHE 146 CO 0.03 -0.38 0.00 -0.35 -1.46 0.00 0.00 175.22 173.06 1ad0 n PRO 147 N 3.33 1.92 -1.56 10.12 -0.04 -1.26 -1.01 135.00 146.50 1ad0 n PRO 147 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 1ad0 n PRO 147 Cb 0.57 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.10 1ad0 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ad0 s GLU 148 N 0.53 2.62 0.52 0.54 0.41 -1.26 -4.81 118.70 117.24 1ad0 s GLU 148 Ca 0.00 0.85 0.05 0.00 -0.41 0.00 0.00 54.97 55.45 1ad0 s GLU 148 Cb 0.00 -1.96 0.02 0.00 -1.78 0.00 0.00 34.13 30.41 1ad0 s GLU 148 CO 0.00 -1.30 0.30 -1.25 -0.49 0.00 0.00 175.26 172.52 1ad0 s PRO 149 N -5.08 2.25 0.03 0.39 0.04 -1.26 -4.94 135.00 126.43 1ad0 s PRO 149 Ca 0.59 -2.07 0.05 0.00 0.04 0.00 0.00 61.00 59.62 1ad0 s PRO 149 Cb -0.14 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1ad0 s PRO 149 CO 0.55 -0.50 -0.15 0.54 0.04 0.00 0.00 177.00 177.47 1ad0 s VAL 150 N -2.77 1.22 -0.09 -0.36 0.11 -1.26 -4.54 120.40 112.71 1ad0 s VAL 150 Ca 0.29 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1ad0 s VAL 150 Cb -0.01 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1ad0 s VAL 150 CO 0.18 0.08 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.06 1ad0 s THR 151 N -0.78 3.58 -0.06 5.04 2.01 0.51 -4.96 115.64 120.97 1ad0 s THR 151 Ca 0.03 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1ad0 s THR 151 Cb -0.08 -2.48 0.03 0.00 0.01 0.00 0.00 72.50 69.97 1ad0 s THR 151 CO 0.01 0.56 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.79 1ad0 s VAL 152 N -0.38 0.50 0.17 3.82 1.01 -1.26 -0.44 120.40 123.82 1ad0 s VAL 152 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1ad0 s VAL 152 Cb -0.12 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1ad0 s VAL 152 CO 0.02 0.25 -0.08 -0.94 0.00 0.00 0.00 175.10 174.36 1ad0 s SER 153 N 1.52 1.78 -0.11 3.32 1.04 -0.51 -4.96 113.70 115.78 1ad0 s SER 153 Ca -0.02 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.37 1ad0 s SER 153 Cb -0.13 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1ad0 s SER 153 CO -0.03 -0.38 -0.16 0.26 0.98 0.00 0.00 173.24 173.91 1ad0 s TRP 154 N -3.36 2.72 -1.38 5.02 0.52 -1.26 0.53 118.94 121.73 1ad0 s TRP 154 Ca 0.20 -0.67 -0.02 0.00 0.02 0.00 0.00 56.10 55.63 1ad0 s TRP 154 Cb 0.03 -1.77 0.00 0.00 -1.15 0.00 0.00 33.47 30.58 1ad0 s TRP 154 CO 0.02 -0.20 0.45 0.09 0.02 0.00 0.00 176.95 177.33 1ad0 n ASN 155 N 3.33 -0.76 -3.92 2.95 5.03 0.78 -1.87 115.26 120.80 1ad0 n ASN 155 Ca -0.18 -1.01 -0.31 0.00 0.87 0.00 0.00 54.58 53.95 1ad0 n ASN 155 Cb 0.53 -3.06 0.01 0.00 -1.02 0.00 0.00 39.78 36.24 1ad0 n ASN 155 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ad0 n SER 156 N -2.95 -4.42 0.00 6.41 7.64 -1.26 -1.25 113.62 117.79 1ad0 n SER 156 Ca -0.29 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1ad0 n SER 156 Cb 0.68 -3.55 0.00 0.00 -1.01 0.00 0.00 64.21 60.32 1ad0 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ad0 n GLY 157 N -1.57 1.93 0.29 0.23 0.00 -0.78 -4.90 105.19 100.39 1ad0 n GLY 157 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1ad0 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ad0 h ALA 158 N 0.00 1.03 -2.80 4.61 0.00 -1.12 -3.40 119.26 117.58 1ad0 h ALA 158 Ca 0.00 -0.28 -0.67 0.00 0.00 0.00 0.00 54.91 53.96 1ad0 h ALA 158 Cb 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 17.79 17.40 1ad0 h ALA 158 CO 0.00 0.60 -0.51 -1.17 0.00 0.00 0.00 179.25 178.18 1ad0 s LEU 159 N -9.20 4.28 0.00 0.00 2.96 -0.96 -4.87 118.68 110.89 1ad0 s LEU 159 Ca -0.10 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1ad0 s LEU 159 Cb 0.14 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.73 1ad0 s LEU 159 CO 0.82 -0.17 0.00 0.35 -1.32 0.00 0.00 176.35 176.03 1ad0 n THR 160 N 5.07 0.00 -2.29 3.68 -2.24 -1.26 -4.04 114.28 113.20 1ad0 n THR 160 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1ad0 n THR 160 Cb 0.50 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 1ad0 n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ad0 s SER 161 N -1.62 6.95 0.00 3.42 0.15 -1.26 -3.00 113.70 118.34 1ad0 s SER 161 Ca 0.00 2.22 0.00 0.00 0.70 0.00 0.00 55.95 58.87 1ad0 s SER 161 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1ad0 s SER 161 CO 0.00 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1ad0 n GLY 162 N 3.10 0.98 3.73 9.45 0.00 -1.26 -4.72 105.19 116.47 1ad0 n GLY 162 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1ad0 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ad0 s VAL 163 N -3.51 4.36 -0.31 1.61 1.01 -1.16 -3.09 120.40 119.31 1ad0 s VAL 163 Ca 0.00 2.05 -0.02 0.00 0.00 0.00 0.00 61.98 64.00 1ad0 s VAL 163 Cb 0.00 -4.31 0.11 0.00 0.00 0.00 0.00 36.38 32.18 1ad0 s VAL 163 CO 0.00 0.36 0.14 -1.00 0.00 0.00 0.00 175.10 174.60 1ad0 s HIS 164 N -0.30 0.77 -0.26 5.22 3.76 -0.06 -4.99 115.29 119.42 1ad0 s HIS 164 Ca 0.46 -1.24 -0.18 0.00 -0.15 0.00 0.00 55.06 53.94 1ad0 s HIS 164 Cb -0.24 -1.13 -0.02 0.00 1.11 0.00 0.00 32.58 32.29 1ad0 s HIS 164 CO 0.31 -0.84 0.54 0.99 -0.85 0.00 0.00 174.74 174.89 1ad0 s THR 165 N 1.79 5.05 0.42 1.30 2.01 -1.26 -1.76 115.64 123.18 1ad0 s THR 165 Ca 0.11 0.91 -0.16 0.00 0.31 0.00 0.00 61.69 62.86 1ad0 s THR 165 Cb -0.18 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1ad0 s THR 165 CO -0.28 0.06 0.87 -0.36 -0.69 0.00 0.00 174.62 174.22 1ad0 s PHE 166 N 2.36 3.39 0.38 4.92 0.08 -0.75 -5.01 117.98 123.36 1ad0 s PHE 166 Ca 0.22 1.36 -0.27 0.00 0.12 0.00 0.00 56.93 58.37 1ad0 s PHE 166 Cb -0.16 -2.67 -0.09 0.00 -0.57 0.00 0.00 43.02 39.53 1ad0 s PHE 166 CO 0.09 -0.12 1.26 -1.25 -0.10 0.00 0.00 175.22 175.10 1ad0 s PRO 167 N -3.49 4.11 0.48 0.24 0.04 -1.26 -4.62 135.00 130.49 1ad0 s PRO 167 Ca 0.57 2.08 -0.23 0.00 0.04 0.00 0.00 61.00 63.46 1ad0 s PRO 167 Cb -0.10 -2.83 -0.07 0.00 0.04 0.00 0.00 34.50 31.54 1ad0 s PRO 167 CO 0.22 -0.35 1.28 0.00 0.04 0.00 0.00 177.00 178.19 1ad0 s ALA 168 N -1.26 2.98 -0.06 8.56 0.00 -1.26 -4.88 121.76 125.84 1ad0 s ALA 168 Ca 0.54 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.69 1ad0 s ALA 168 Cb -0.36 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 1ad0 s ALA 168 CO 0.47 -0.98 -0.10 0.14 0.00 0.00 0.00 175.76 175.29 1ad0 s VAL 169 N -1.38 3.43 -0.31 0.00 -7.23 -0.92 -4.95 120.40 109.03 1ad0 s VAL 169 Ca 0.65 -0.60 -0.23 0.00 -1.81 0.00 0.00 61.98 59.99 1ad0 s VAL 169 Cb -0.36 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1ad0 s VAL 169 CO 0.43 0.59 0.75 -0.22 -0.31 0.00 0.00 175.10 176.34 1ad0 s LEU 170 N -0.81 4.11 0.71 1.32 2.96 -1.26 -2.28 118.68 123.43 1ad0 s LEU 170 Ca 0.12 0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 54.50 1ad0 s LEU 170 Cb -0.11 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.59 1ad0 s LEU 170 CO 0.01 -0.60 1.07 -1.10 -1.32 0.00 0.00 176.35 174.41 1ad0 s GLN 171 N 2.90 2.82 0.36 1.98 -0.21 -0.03 -4.90 119.66 122.57 1ad0 s GLN 171 Ca 0.31 0.86 0.19 0.00 0.02 0.00 0.00 55.36 56.74 1ad0 s GLN 171 Cb -0.14 -1.98 1.03 0.00 1.00 0.00 0.00 33.01 32.91 1ad0 s GLN 171 CO 0.13 -1.16 1.53 0.66 -2.12 0.00 0.00 175.29 174.33 1ad0 h SER 172 N -0.76 0.00 0.00 5.90 4.64 -1.97 0.23 113.55 121.60 1ad0 h SER 172 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1ad0 h SER 172 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ad0 h SER 172 CO 0.58 0.00 -0.02 -1.54 -0.87 0.00 0.00 176.83 174.98 1ad0 n SER 173 N -2.23 1.66 0.00 4.97 3.41 -1.26 -4.91 113.62 115.26 1ad0 n SER 173 Ca -0.01 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.08 1ad0 n SER 173 Cb 0.20 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1ad0 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ad0 n GLY 173 N 1.21 0.71 3.66 5.00 0.00 0.81 -5.03 105.19 111.54 1ad0 n GLY 173 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ad0 n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ad0 s LEU 174 N 0.00 3.41 0.60 0.99 1.43 -1.25 -4.86 118.68 118.99 1ad0 s LEU 174 Ca 0.00 -0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1ad0 s LEU 174 Cb 0.00 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1ad0 s LEU 174 CO 0.00 0.28 0.92 -0.31 0.23 0.00 0.00 176.35 177.47 1ad0 s TYR 175 N -1.07 3.32 -0.26 0.29 2.02 0.14 -0.86 117.35 120.94 1ad0 s TYR 175 Ca 0.19 0.75 -0.20 0.00 -0.37 0.00 0.00 57.07 57.44 1ad0 s TYR 175 Cb -0.11 -2.73 0.07 0.00 -0.40 0.00 0.00 41.96 38.78 1ad0 s TYR 175 CO 0.10 -0.80 0.67 0.45 -1.57 0.00 0.00 175.55 174.39 1ad0 s SER 176 N -4.28 -0.79 0.07 2.29 0.15 -0.97 -1.51 113.70 108.67 1ad0 s SER 176 Ca 0.54 1.40 -0.09 0.00 0.70 0.00 0.00 55.95 58.50 1ad0 s SER 176 Cb -0.11 1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1ad0 s SER 176 CO 0.46 -0.24 0.18 -1.48 1.20 0.00 0.00 173.24 173.37 1ad0 s LEU 177 N 0.89 1.44 -0.03 3.45 0.05 -0.22 -2.16 118.68 122.09 1ad0 s LEU 177 Ca -0.04 -0.56 0.07 0.00 0.05 0.00 0.00 54.13 53.65 1ad0 s LEU 177 Cb -0.05 0.98 -0.02 0.00 -2.05 0.00 0.00 46.19 45.05 1ad0 s LEU 177 CO -0.08 -0.66 -0.25 -0.44 -0.55 0.00 0.00 176.35 174.38 1ad0 s SER 178 N -2.57 2.96 -0.18 1.48 0.01 -1.26 -0.24 113.70 113.90 1ad0 s SER 178 Ca 0.01 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1ad0 s SER 178 Cb 0.03 -0.50 0.01 0.00 0.21 0.00 0.00 66.02 65.77 1ad0 s SER 178 CO -0.08 0.28 -0.18 -0.55 0.41 0.00 0.00 173.24 173.12 1ad0 s SER 179 N -0.43 3.32 0.34 2.44 0.15 -0.43 -1.80 113.70 117.29 1ad0 s SER 179 Ca 0.05 -0.60 0.09 0.00 0.70 0.00 0.00 55.95 56.20 1ad0 s SER 179 Cb -0.11 -1.52 -0.06 0.00 -1.71 0.00 0.00 66.02 62.62 1ad0 s SER 179 CO 0.01 0.01 -0.06 0.68 1.20 0.00 0.00 173.24 175.08 1ad0 s VAL 180 N 1.21 2.40 -0.18 4.45 -7.23 -0.72 -0.77 120.40 119.56 1ad0 s VAL 180 Ca 0.03 -2.12 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 1ad0 s VAL 180 Cb -0.14 -2.69 0.05 0.00 0.56 0.00 0.00 36.38 34.16 1ad0 s VAL 180 CO -0.09 -0.21 0.47 0.54 -0.31 0.00 0.00 175.10 175.50 1ad0 s VAL 181 N -2.57 -0.00 -0.15 1.32 0.11 -0.79 -0.88 120.40 117.44 1ad0 s VAL 181 Ca 0.33 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.33 1ad0 s VAL 181 Cb 0.01 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1ad0 s VAL 181 CO 0.18 0.00 0.06 0.42 -3.33 0.00 0.00 175.10 172.43 1ad0 s THR 182 N 0.40 4.82 0.07 5.04 -4.23 -1.18 -1.43 115.64 119.14 1ad0 s THR 182 Ca -0.01 -0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1ad0 s THR 182 Cb -0.04 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1ad0 s THR 182 CO -0.01 0.53 -0.00 0.68 -0.54 0.00 0.00 174.62 175.27 1ad0 s VAL 183 N -0.19 0.19 0.33 2.29 -7.23 -0.25 -4.75 120.40 110.79 1ad0 s VAL 183 Ca 0.08 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 1ad0 s VAL 183 Cb -0.12 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.06 1ad0 s VAL 183 CO 0.01 -0.85 1.18 -2.16 -0.31 0.00 0.00 175.10 172.98 1ad0 s PRO 184 N -3.96 4.37 0.57 4.82 0.04 -1.26 -0.38 135.00 139.20 1ad0 s PRO 184 Ca 0.12 1.94 0.26 0.00 0.04 0.00 0.00 61.00 63.35 1ad0 s PRO 184 Cb 0.08 -2.98 1.65 0.00 0.04 0.00 0.00 34.50 33.28 1ad0 s PRO 184 CO -0.07 -0.08 2.21 0.77 0.04 0.00 0.00 177.00 179.87 1ad0 h SER 185 N 3.30 0.00 0.12 6.66 0.02 -1.25 -1.54 113.55 120.85 1ad0 h SER 185 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ad0 h SER 185 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ad0 h SER 185 CO 0.65 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.80 1ad0 n SER 186 N -4.05 0.00 -0.05 3.07 3.41 -1.26 -2.35 113.62 112.39 1ad0 n SER 186 Ca -0.02 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1ad0 n SER 186 Cb 0.11 -0.18 -0.15 0.00 -0.26 0.00 0.00 64.21 63.74 1ad0 n SER 186 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ad0 n SER 187 N -1.18 0.59 -4.62 4.04 7.64 -0.58 -4.79 113.62 114.72 1ad0 n SER 187 Ca 0.06 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1ad0 n SER 187 Cb 0.06 1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 1ad0 n SER 187 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ad0 s LEU 188 N -4.83 3.79 0.00 -3.43 1.43 -0.99 -0.77 118.68 113.88 1ad0 s LEU 188 Ca -0.08 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1ad0 s LEU 188 Cb 0.09 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1ad0 s LEU 188 CO 0.77 -1.57 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1ad0 n GLY 189 N 5.20 0.37 0.44 -3.19 0.00 -1.26 -4.94 105.19 101.81 1ad0 n GLY 189 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 1ad0 n GLY 189 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ad0 n THR 190 N -1.70 1.07 -4.02 2.61 -1.04 0.05 -5.06 114.28 106.19 1ad0 n THR 190 Ca 0.00 0.26 -0.21 0.00 -2.04 0.00 0.00 64.05 62.05 1ad0 n THR 190 Cb 0.00 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 66.60 1ad0 n THR 190 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1ad0 s LYS 191 N -2.19 3.06 0.16 -2.82 -2.85 -1.01 -5.12 119.74 108.98 1ad0 s LYS 191 Ca -0.14 -0.99 -0.11 0.00 -1.00 0.00 0.00 55.97 53.74 1ad0 s LYS 191 Cb 0.02 -2.66 -0.07 0.00 -2.06 0.00 0.00 37.83 33.07 1ad0 s LYS 191 CO 0.20 0.37 0.50 0.95 0.10 0.00 0.00 175.35 177.47 1ad0 s THR 192 N -2.11 4.97 -0.16 3.79 -4.23 -1.26 -4.83 115.64 111.80 1ad0 s THR 192 Ca 0.34 0.54 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1ad0 s THR 192 Cb -0.08 -3.66 0.04 0.00 1.34 0.00 0.00 72.50 70.14 1ad0 s THR 192 CO 0.26 0.12 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.12 1ad0 s TYR 193 N -1.60 1.53 -0.02 3.99 2.02 -1.26 -5.00 117.35 117.01 1ad0 s TYR 193 Ca 0.41 -0.98 0.05 0.00 -0.37 0.00 0.00 57.07 56.18 1ad0 s TYR 193 Cb -0.13 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1ad0 s TYR 193 CO 0.20 -0.59 -0.18 0.99 -1.57 0.00 0.00 175.55 174.40 1ad0 s THR 194 N 1.69 1.47 -0.21 -0.71 2.01 -1.26 -0.76 115.64 117.87 1ad0 s THR 194 Ca 0.01 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1ad0 s THR 194 Cb -0.15 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1ad0 s THR 194 CO -0.07 0.42 0.04 0.00 -0.69 0.00 0.00 174.62 174.31 1ad0 s ASN 196 N 1.04 6.21 -0.21 0.00 -0.87 0.19 -2.18 114.94 119.11 1ad0 s ASN 196 Ca 0.03 -1.09 -0.07 0.00 -1.57 0.00 0.00 52.86 50.15 1ad0 s ASN 196 Cb -0.14 -2.29 -0.04 0.00 -0.02 0.00 0.00 41.25 38.76 1ad0 s ASN 196 CO 0.02 -0.96 0.07 -0.69 -2.57 0.00 0.00 177.10 172.98 1ad0 s VAL 197 N 2.62 4.63 -0.10 1.60 1.01 0.54 -1.42 120.40 129.27 1ad0 s VAL 197 Ca 0.14 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1ad0 s VAL 197 Cb -0.21 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1ad0 s VAL 197 CO 0.10 0.40 -0.15 -0.62 0.00 0.00 0.00 175.10 174.84 1ad0 s ASP 198 N 0.91 2.33 -0.55 3.32 -1.08 0.42 0.15 116.67 122.17 1ad0 s ASP 198 Ca 0.04 -0.40 0.04 0.00 -0.52 0.00 0.00 52.55 51.71 1ad0 s ASP 198 Cb -0.14 -1.04 0.16 0.00 -1.46 0.00 0.00 42.92 40.44 1ad0 s ASP 198 CO 0.03 0.02 0.38 -2.28 0.52 0.00 0.00 175.17 173.83 1ad0 s HIS 199 N 0.94 2.55 0.36 -5.34 5.65 0.47 -0.36 115.29 119.55 1ad0 s HIS 199 Ca -0.08 -2.86 0.09 0.00 0.25 0.00 0.00 55.06 52.46 1ad0 s HIS 199 Cb -0.15 -2.08 0.82 0.00 -1.18 0.00 0.00 32.58 29.99 1ad0 s HIS 199 CO -0.01 -0.69 1.87 0.87 -0.65 0.00 0.00 174.74 176.14 1ad0 h LYS 200 N 5.86 0.67 -0.83 2.88 1.57 -1.80 -1.96 116.57 122.97 1ad0 h LYS 200 Ca 0.12 -0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.03 1ad0 h LYS 200 Cb 0.84 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 1ad0 h LYS 200 CO 0.57 0.45 0.55 -1.35 -0.57 0.00 0.00 179.45 179.10 1ad0 h PRO 201 N 0.69 0.42 -0.29 3.15 0.11 -1.92 -1.69 132.00 132.48 1ad0 h PRO 201 Ca 0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1ad0 h PRO 201 Cb 0.71 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1ad0 h PRO 201 CO -0.20 0.28 0.00 -1.13 -0.21 0.00 0.00 178.00 176.74 1ad0 n SER 202 N -4.50 2.77 -3.66 -2.05 3.41 -0.95 -4.98 113.62 103.66 1ad0 n SER 202 Ca 0.17 -1.86 -0.25 0.00 -0.26 0.00 0.00 58.87 56.67 1ad0 n SER 202 Cb 0.60 -0.19 0.07 0.00 -0.26 0.00 0.00 64.21 64.43 1ad0 n SER 202 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ad0 n ASN 203 N 0.68 -5.61 -4.22 4.04 5.15 -0.64 -4.89 115.26 109.77 1ad0 n ASN 203 Ca 0.12 -0.60 -0.38 0.00 -0.60 0.00 0.00 54.58 53.12 1ad0 n ASN 203 Cb 0.41 -4.78 -0.12 0.00 -0.53 0.00 0.00 39.78 34.77 1ad0 n ASN 203 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ad0 s THR 204 N -3.33 3.67 -0.19 -0.44 2.01 -0.79 -5.01 115.64 111.57 1ad0 s THR 204 Ca 0.55 -1.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 1ad0 s THR 204 Cb -0.25 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1ad0 s THR 204 CO 0.75 -0.37 -0.13 -0.75 -0.69 0.00 0.00 174.62 173.43 1ad0 s LYS 205 N 1.33 3.21 -0.06 4.92 2.47 -1.26 -0.39 119.74 129.96 1ad0 s LYS 205 Ca 0.01 -0.73 0.02 0.00 -1.56 0.00 0.00 55.97 53.72 1ad0 s LYS 205 Cb -0.21 -2.75 0.01 0.00 -1.46 0.00 0.00 37.83 33.42 1ad0 s LYS 205 CO 0.00 -0.12 -0.10 0.08 0.16 0.00 0.00 175.35 175.37 1ad0 s VAL 206 N 1.18 0.99 -0.42 4.02 1.01 0.12 -5.00 120.40 122.30 1ad0 s VAL 206 Ca 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1ad0 s VAL 206 Cb -0.14 -0.91 0.11 0.00 0.00 0.00 0.00 36.38 35.44 1ad0 s VAL 206 CO -0.05 0.32 0.23 -1.81 0.00 0.00 0.00 175.10 173.79 1ad0 s ASP 207 N 0.65 5.31 -0.14 3.32 1.01 -1.26 -0.34 116.67 125.22 1ad0 s ASP 207 Ca -0.13 -2.05 -0.06 0.00 0.71 0.00 0.00 52.55 51.02 1ad0 s ASP 207 Cb -0.15 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 1ad0 s ASP 207 CO 0.03 -0.56 0.09 -0.75 0.21 0.00 0.00 175.17 174.19 1ad0 s LYS 208 N 1.12 3.58 -0.05 8.23 2.47 -0.93 -4.92 119.74 129.25 1ad0 s LYS 208 Ca 0.08 -0.26 -0.20 0.00 -1.56 0.00 0.00 55.97 54.04 1ad0 s LYS 208 Cb -0.23 -3.14 -0.05 0.00 -1.46 0.00 0.00 37.83 32.95 1ad0 s LYS 208 CO -0.04 0.57 0.56 1.03 0.16 0.00 0.00 175.35 177.63 1ad0 s ARG 209 N -0.44 4.31 -0.25 4.03 0.52 -1.26 -1.13 118.95 124.72 1ad0 s ARG 209 Ca 0.10 0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 55.90 1ad0 s ARG 209 Cb -0.12 -3.38 -0.16 0.00 0.52 0.00 0.00 34.95 31.82 1ad0 s ARG 209 CO 0.02 0.29 -0.20 0.28 0.02 0.00 0.00 175.30 175.71 1ad0 n VAL 210 N 3.08 1.53 -1.89 3.52 0.31 0.06 -4.84 118.33 120.11 1ad0 n VAL 210 Ca -0.07 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1ad0 n VAL 210 Cb 0.51 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1ad0 n VAL 210 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89