#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x83 s HIS 5 N 0.00 1.29 0.26 4.31 -3.43 -1.26 -1.56 115.29 114.90 1x83 s HIS 5 Ca 0.00 -1.23 0.09 0.00 -0.80 0.00 0.00 55.06 53.12 1x83 s HIS 5 Cb 0.00 -0.71 -0.04 0.00 -1.43 0.00 0.00 32.58 30.39 1x83 s HIS 5 CO 0.00 -0.44 0.01 0.14 -2.00 0.00 0.00 174.74 172.45 1x83 s VAL 6 N -3.90 3.54 -0.31 -5.38 -7.23 0.32 -4.65 120.40 102.78 1x83 s VAL 6 Ca 0.35 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 1x83 s VAL 6 Cb 0.07 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1x83 s VAL 6 CO 0.10 -0.35 0.15 -0.63 -0.31 0.00 0.00 175.10 174.07 1x83 s ILE 7 N -2.26 4.65 0.24 -0.62 1.01 -1.26 -1.98 121.20 120.98 1x83 s ILE 7 Ca 0.31 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 1x83 s ILE 7 Cb -0.07 -3.36 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 1x83 s ILE 7 CO 0.20 0.08 1.11 -0.76 0.00 0.00 0.00 174.94 175.57 1x83 s LEU 8 N 1.63 4.53 -0.01 2.97 1.43 0.30 -0.77 118.68 128.75 1x83 s LEU 8 Ca 0.05 2.21 0.07 0.00 -1.03 0.00 0.00 54.13 55.43 1x83 s LEU 8 Cb -0.17 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 1x83 s LEU 8 CO 0.07 -0.19 -0.23 -0.76 0.23 0.00 0.00 176.35 175.47 1x83 s LEU 9 N -1.01 2.05 0.00 1.79 1.43 -0.82 -0.47 118.68 121.65 1x83 s LEU 9 Ca 0.47 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1x83 s LEU 9 Cb -0.31 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 44.76 1x83 s LEU 9 CO 0.39 0.28 0.23 -0.46 0.23 0.00 0.00 176.35 177.02 1x83 n ASN 10 N 2.47 -0.02 0.04 2.29 2.04 -0.66 -4.74 115.26 116.68 1x83 n ASN 10 Ca -0.16 -1.07 -0.15 0.00 -0.44 0.00 0.00 54.58 52.76 1x83 n ASN 10 Cb 0.52 -0.18 -0.09 0.00 -2.53 0.00 0.00 39.78 37.50 1x83 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1x83 h ALA 11 N -1.97 -0.92 -2.25 -2.53 0.00 -2.01 -3.37 119.26 106.20 1x83 h ALA 11 Ca -0.08 -0.08 -0.48 0.00 0.00 0.00 0.00 54.91 54.27 1x83 h ALA 11 Cb 0.21 0.94 0.18 0.00 0.00 0.00 0.00 17.79 19.12 1x83 h ALA 11 CO 0.05 -1.08 0.17 -0.65 0.00 0.00 0.00 179.25 177.74 1x83 s GLN 12 N -5.59 0.50 0.00 0.00 -1.52 -1.26 -4.81 119.66 106.98 1x83 s GLN 12 Ca -0.15 1.05 -0.02 0.00 -1.95 0.00 0.00 55.36 54.29 1x83 s GLN 12 Cb 0.06 -1.70 -0.08 0.00 -0.22 0.00 0.00 33.01 31.07 1x83 s GLN 12 CO 0.58 -2.83 2.06 0.41 -0.25 0.00 0.00 175.29 175.26 1x83 n GLY 13 N -0.11 2.22 3.66 3.09 0.00 -1.26 -4.86 105.19 107.92 1x83 n GLY 13 Ca 0.07 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1x83 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x83 s VAL 14 N 0.89 4.93 0.19 1.61 1.01 -1.26 -4.79 120.40 122.98 1x83 s VAL 14 Ca 0.21 1.41 -0.32 0.00 0.00 0.00 0.00 61.98 63.27 1x83 s VAL 14 Cb 0.10 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 1x83 s VAL 14 CO 0.00 0.04 1.21 -2.65 0.00 0.00 0.00 175.10 173.70 1x83 n PRO 15 N 5.35 1.35 0.00 2.72 -0.02 -1.26 -1.65 135.00 141.49 1x83 n PRO 15 Ca 0.02 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1x83 n PRO 15 Cb 0.49 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1x83 n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1x83 n THR 16 N 1.57 0.00 -1.93 3.45 -2.24 0.38 -4.88 114.28 110.63 1x83 n THR 16 Ca 0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1x83 n THR 16 Cb 0.26 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1x83 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x83 n GLY 17 N 0.09 -1.67 3.20 3.38 0.00 -1.25 -4.99 105.19 103.94 1x83 n GLY 17 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 1x83 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x83 s THR 18 N -2.42 0.48 0.03 2.61 -4.23 -1.26 -0.54 115.64 110.31 1x83 s THR 18 Ca 0.00 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1x83 s THR 18 Cb 0.00 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 1x83 s THR 18 CO 0.00 -0.55 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.67 1x83 s LEU 19 N -3.11 2.16 0.36 4.79 1.43 -0.84 -4.92 118.68 118.55 1x83 s LEU 19 Ca 0.22 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 1x83 s LEU 19 Cb 0.07 -0.39 -0.11 0.00 0.03 0.00 0.00 46.19 45.79 1x83 s LEU 19 CO 0.01 -0.04 1.45 -0.70 0.23 0.00 0.00 176.35 177.31 1x83 s GLU 20 N -1.06 4.17 0.20 1.70 -6.30 -1.26 -0.53 118.70 115.62 1x83 s GLU 20 Ca -0.02 2.49 -0.11 0.00 -2.50 0.00 0.00 54.97 54.82 1x83 s GLU 20 Cb -0.07 -3.00 0.13 0.00 0.00 0.00 0.00 34.13 31.19 1x83 s GLU 20 CO 0.01 -0.46 1.87 -0.22 0.02 0.00 0.00 175.26 176.47 1x83 h LYS 21 N 3.28 0.89 -0.45 4.30 3.64 -1.55 -1.60 116.57 125.08 1x83 h LYS 21 Ca -0.50 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1x83 h LYS 21 Cb 1.23 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 1x83 h LYS 21 CO 0.66 0.59 0.21 -0.92 -2.27 0.00 0.00 179.45 177.72 1x83 h TYR 22 N 0.92 0.39 0.00 1.91 3.20 -1.90 -2.36 116.97 119.13 1x83 h TYR 22 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1x83 h TYR 22 Cb -0.09 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1x83 h TYR 22 CO -0.03 0.19 0.00 0.00 -1.64 0.00 0.00 178.16 176.68 1x83 n ALA 23 N -2.32 2.39 0.13 1.82 0.00 -0.87 -3.84 120.51 117.81 1x83 n ALA 23 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1x83 n ALA 23 Cb 0.12 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.17 1x83 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x83 h ALA 24 N 3.19 0.68 -2.74 0.00 0.00 -0.74 -3.43 119.26 116.23 1x83 h ALA 24 Ca 0.00 -0.55 -0.71 0.00 0.00 0.00 0.00 54.91 53.65 1x83 h ALA 24 Cb 0.39 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 17.84 1x83 h ALA 24 CO 0.00 0.75 -0.49 -1.01 0.00 0.00 0.00 179.25 178.50 1x83 s HIS 25 N -3.07 3.25 0.05 0.00 3.76 -1.25 -4.43 115.29 113.61 1x83 s HIS 25 Ca 0.02 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 54.02 1x83 s HIS 25 Cb 0.09 -2.51 -0.00 0.00 1.11 0.00 0.00 32.58 31.27 1x83 s HIS 25 CO 0.75 -0.65 0.03 0.25 -0.85 0.00 0.00 174.74 174.27 1x83 n THR 26 N 5.03 0.00 0.32 1.30 -2.24 -1.26 -4.88 114.28 112.54 1x83 n THR 26 Ca -0.12 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1x83 n THR 26 Cb 0.46 0.15 0.52 0.00 -2.10 0.00 0.00 70.33 69.37 1x83 n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x83 n ALA 27 N -2.69 1.45 -2.11 6.98 0.00 -1.25 0.04 120.51 122.94 1x83 n ALA 27 Ca -0.02 0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1x83 n ALA 27 Cb 0.09 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1x83 n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x83 n ASP 28 N -2.25 4.65 -4.69 0.00 8.00 -1.26 -4.63 116.55 116.37 1x83 n ASP 28 Ca 0.01 -3.61 -0.43 0.00 0.71 0.00 0.00 54.79 51.46 1x83 n ASP 28 Cb 0.16 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1x83 n ASP 28 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1x83 n THR 29 N -0.69 0.23 -2.70 -3.53 -1.04 -1.20 -4.96 114.28 100.39 1x83 n THR 29 Ca 0.41 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 62.04 1x83 n THR 29 Cb 0.94 -1.99 -0.06 0.00 -1.82 0.00 0.00 70.33 67.41 1x83 n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1x83 s ARG 30 N 2.13 4.12 0.09 -2.82 0.52 -1.26 -4.64 118.95 117.08 1x83 s ARG 30 Ca 0.80 1.26 -0.34 0.00 -0.52 0.00 0.00 55.73 56.93 1x83 s ARG 30 Cb -0.53 -2.25 -0.14 0.00 0.52 0.00 0.00 34.95 32.56 1x83 s ARG 30 CO 0.37 -0.14 1.63 -0.11 0.02 0.00 0.00 175.30 177.07 1x83 n LEU 31 N -0.57 3.02 -4.06 2.53 7.94 -1.26 -4.67 117.00 119.94 1x83 n LEU 31 Ca 0.07 1.06 -0.12 0.00 -1.11 0.00 0.00 56.01 55.91 1x83 n LEU 31 Cb 0.53 -1.38 -0.05 0.00 0.53 0.00 0.00 43.42 43.04 1x83 n LEU 31 CO 0.39 -0.31 0.12 -1.38 -1.11 0.00 0.00 177.39 175.10 1x83 s HIS 32 N 1.65 0.76 0.07 1.96 -3.43 -0.72 -1.95 115.29 113.62 1x83 s HIS 32 Ca 0.83 -1.06 -0.26 0.00 -0.80 0.00 0.00 55.06 53.78 1x83 s HIS 32 Cb -0.72 0.00 -0.06 0.00 -1.43 0.00 0.00 32.58 30.38 1x83 s HIS 32 CO 0.42 -1.03 0.79 -1.17 -2.00 0.00 0.00 174.74 171.75 1x83 s LEU 33 N -3.13 4.47 0.00 5.38 2.96 0.05 -1.56 118.68 126.85 1x83 s LEU 33 Ca 0.28 1.51 0.08 0.00 -0.22 0.00 0.00 54.13 55.78 1x83 s LEU 33 Cb 0.00 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 1x83 s LEU 33 CO 0.14 0.02 0.28 0.00 -1.32 0.00 0.00 176.35 175.48 1x83 n ALA 34 N 2.68 0.71 -2.18 5.97 0.00 0.54 -4.33 120.51 123.89 1x83 n ALA 34 Ca -0.02 -1.93 -0.11 0.00 0.00 0.00 0.00 53.44 51.38 1x83 n ALA 34 Cb 0.50 1.56 -0.10 0.00 0.00 0.00 0.00 19.45 21.41 1x83 n ALA 34 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1x83 s PHE 35 N -3.33 0.98 -0.00 0.00 -0.12 -0.20 -3.60 117.98 111.70 1x83 s PHE 35 Ca 0.39 -1.11 0.03 0.00 -0.05 0.00 0.00 56.93 56.19 1x83 s PHE 35 Cb 0.02 -0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 41.84 1x83 s PHE 35 CO 0.28 -0.36 -0.09 0.45 -0.05 0.00 0.00 175.22 175.45 1x83 s SER 36 N -3.09 1.08 0.05 1.98 0.15 -0.73 -2.20 113.70 110.94 1x83 s SER 36 Ca 0.22 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.71 1x83 s SER 36 Cb 0.07 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1x83 s SER 36 CO 0.01 0.09 -0.10 -0.44 1.20 0.00 0.00 173.24 174.01 1x83 s SER 37 N -0.31 1.14 -0.20 5.45 0.01 0.19 0.10 113.70 120.07 1x83 s SER 37 Ca 0.03 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 1x83 s SER 37 Cb -0.04 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.20 1x83 s SER 37 CO -0.00 -0.15 -0.12 0.26 0.41 0.00 0.00 173.24 173.64 1x83 s TRP 38 N -1.29 2.87 -0.10 2.43 0.52 -0.46 -2.45 118.94 120.45 1x83 s TRP 38 Ca -0.07 -1.28 -0.01 0.00 0.02 0.00 0.00 56.10 54.76 1x83 s TRP 38 Cb -0.10 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 1x83 s TRP 38 CO 0.01 -0.67 -0.05 -0.51 0.02 0.00 0.00 176.95 175.75 1x83 s LEU 39 N 1.37 3.24 0.02 2.99 1.43 -1.26 -1.73 118.68 124.73 1x83 s LEU 39 Ca 0.05 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1x83 s LEU 39 Cb -0.14 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1x83 s LEU 39 CO -0.08 0.30 -0.26 -0.36 0.23 0.00 0.00 176.35 176.18 1x83 s PHE 40 N -0.42 2.26 0.86 0.29 0.40 -0.55 -0.78 117.98 120.05 1x83 s PHE 40 Ca 0.07 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 55.89 1x83 s PHE 40 Cb -0.12 -1.40 0.18 0.00 0.51 0.00 0.00 43.02 42.18 1x83 s PHE 40 CO 0.02 0.05 1.18 0.54 0.70 0.00 0.00 175.22 177.71 1x83 s ASN 41 N -0.95 3.58 0.55 1.36 2.20 0.34 -1.32 114.94 120.71 1x83 s ASN 41 Ca 0.11 -0.10 0.25 0.00 -0.94 0.00 0.00 52.86 52.17 1x83 s ASN 41 Cb -0.10 -0.05 1.48 0.00 -2.00 0.00 0.00 41.25 40.58 1x83 s ASN 41 CO 0.01 -2.40 2.06 0.00 -2.94 0.00 0.00 177.10 173.83 1x83 h ALA 42 N -1.16 2.12 0.00 3.54 0.00 -1.91 0.27 119.26 122.13 1x83 h ALA 42 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1x83 h ALA 42 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1x83 h ALA 42 CO 0.37 -0.39 0.00 1.63 0.00 0.00 0.00 179.25 180.85 1x83 n LYS 43 N -4.16 0.10 0.00 0.00 5.02 -1.26 -4.89 118.16 112.97 1x83 n LYS 43 Ca 0.04 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1x83 n LYS 43 Cb 0.40 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1x83 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x83 n GLY 44 N 1.02 0.22 3.78 0.72 0.00 0.96 -4.99 105.19 106.90 1x83 n GLY 44 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1x83 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x83 s GLN 45 N -0.96 3.88 -0.10 1.61 -0.21 -1.26 -4.41 119.66 118.21 1x83 s GLN 45 Ca 0.00 1.63 -0.17 0.00 0.02 0.00 0.00 55.36 56.84 1x83 s GLN 45 Cb 0.00 -2.40 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 1x83 s GLN 45 CO 0.00 -0.42 0.45 -1.17 -2.12 0.00 0.00 175.29 172.03 1x83 s LEU 46 N -2.98 4.30 -0.28 2.90 2.96 0.37 -0.50 118.68 125.45 1x83 s LEU 46 Ca 0.62 0.81 -0.24 0.00 -0.22 0.00 0.00 54.13 55.10 1x83 s LEU 46 Cb -0.25 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.79 1x83 s LEU 46 CO 0.30 0.06 0.84 -0.22 -1.32 0.00 0.00 176.35 176.01 1x83 s LEU 47 N 0.34 4.07 -0.08 -0.68 2.96 0.04 -1.41 118.68 123.92 1x83 s LEU 47 Ca 0.25 0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 54.98 1x83 s LEU 47 Cb -0.15 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1x83 s LEU 47 CO 0.10 -0.61 0.01 -0.69 -1.32 0.00 0.00 176.35 173.85 1x83 s VAL 48 N 2.99 4.38 0.28 1.68 1.01 0.03 -3.36 120.40 127.41 1x83 s VAL 48 Ca 0.35 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 62.18 1x83 s VAL 48 Cb -0.14 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1x83 s VAL 48 CO 0.11 0.58 -0.17 0.42 0.00 0.00 0.00 175.10 176.04 1x83 s THR 49 N -0.92 2.30 -0.14 3.92 -4.23 -0.79 -0.90 115.64 114.89 1x83 s THR 49 Ca 0.14 -2.33 0.01 0.00 -1.18 0.00 0.00 61.69 58.33 1x83 s THR 49 Cb -0.11 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.39 1x83 s THR 49 CO 0.03 -0.38 -0.17 -0.60 -0.54 0.00 0.00 174.62 172.96 1x83 s ARG 50 N -3.56 3.19 0.32 3.99 3.52 0.59 -0.31 118.95 126.70 1x83 s ARG 50 Ca 0.29 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.83 1x83 s ARG 50 Cb -0.03 -2.56 -0.10 0.00 -1.56 0.00 0.00 34.95 30.70 1x83 s ARG 50 CO 0.14 0.06 1.31 1.03 -0.81 0.00 0.00 175.30 177.03 1x83 s ARG 51 N 0.70 4.36 0.84 5.12 0.52 -0.43 -1.37 118.95 128.68 1x83 s ARG 51 Ca -0.08 2.21 -0.12 0.00 -0.52 0.00 0.00 55.73 57.21 1x83 s ARG 51 Cb -0.16 -3.08 0.10 0.00 0.52 0.00 0.00 34.95 32.33 1x83 s ARG 51 CO 0.02 -0.19 1.20 0.00 0.02 0.00 0.00 175.30 176.34 1x83 s ALA 52 N -1.05 1.73 -0.68 2.13 0.00 -0.40 -0.97 121.76 122.52 1x83 s ALA 52 Ca 0.49 0.80 0.21 0.00 0.00 0.00 0.00 51.96 53.47 1x83 s ALA 52 Cb -0.40 -3.49 0.86 0.00 0.00 0.00 0.00 23.12 20.10 1x83 s ALA 52 CO 0.52 -2.44 1.65 1.28 0.00 0.00 0.00 175.76 176.77 1x83 n LEU 53 N -3.54 0.44 -0.52 0.00 4.77 -1.26 -2.18 117.00 114.71 1x83 n LEU 53 Ca 0.13 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.85 1x83 n LEU 53 Cb 0.51 -0.53 0.39 0.00 -2.33 0.00 0.00 43.42 41.45 1x83 n LEU 53 CO 0.48 -0.41 0.75 -1.54 -1.33 0.00 0.00 177.39 175.34 1x83 n SER 54 N -1.98 1.71 -4.77 -1.43 3.41 -1.26 -4.82 113.62 104.49 1x83 n SER 54 Ca 0.03 -1.47 -0.38 0.00 -0.26 0.00 0.00 58.87 56.79 1x83 n SER 54 Cb 0.23 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 1x83 n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x83 s LYS 55 N -2.13 3.92 0.23 4.33 -0.14 -0.93 -4.89 119.74 120.13 1x83 s LYS 55 Ca 0.32 1.88 0.03 0.00 -1.36 0.00 0.00 55.97 56.84 1x83 s LYS 55 Cb 0.20 -2.59 0.24 0.00 -1.68 0.00 0.00 37.83 34.00 1x83 s LYS 55 CO 0.38 -0.45 1.57 -0.22 -0.76 0.00 0.00 175.35 175.87 1x83 h LYS 56 N 2.43 0.33 -5.71 1.68 3.64 -1.91 -3.35 116.57 113.68 1x83 h LYS 56 Ca -0.49 -0.21 -0.67 0.00 -1.27 0.00 0.00 60.65 58.01 1x83 h LYS 56 Cb 1.24 0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 32.84 1x83 h LYS 56 CO 0.62 0.80 -0.76 0.00 -2.27 0.00 0.00 179.45 177.84 1x83 s ALA 57 N -3.90 2.67 -1.40 5.00 0.00 -1.26 -4.69 121.76 118.19 1x83 s ALA 57 Ca -0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1x83 s ALA 57 Cb 0.12 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1x83 s ALA 57 CO 0.81 0.37 0.39 0.91 0.00 0.00 0.00 175.76 178.23 1x83 n TRP 58 N 3.04 -1.58 -2.05 0.00 8.01 -1.26 -4.91 117.44 118.68 1x83 n TRP 58 Ca -0.18 0.65 -0.38 0.00 -1.31 0.00 0.00 57.50 56.29 1x83 n TRP 58 Cb 0.53 -3.48 0.01 0.00 -2.01 0.00 0.00 31.31 26.35 1x83 n TRP 58 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1x83 s PRO 59 N -6.71 3.61 -0.68 -0.99 0.04 -1.26 -3.02 135.00 126.00 1x83 s PRO 59 Ca 0.07 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1x83 s PRO 59 Cb -0.03 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1x83 s PRO 59 CO 0.91 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1x83 n GLY 60 N 0.59 0.86 3.74 0.56 0.00 -0.14 -4.93 105.19 105.86 1x83 n GLY 60 Ca 0.07 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1x83 n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x83 s VAL 61 N -2.16 5.02 0.18 1.61 1.01 -1.17 -4.76 120.40 120.14 1x83 s VAL 61 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1x83 s VAL 61 Cb 0.00 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1x83 s VAL 61 CO 0.00 0.54 1.05 0.26 0.00 0.00 0.00 175.10 176.95 1x83 s TRP 62 N -0.37 3.70 0.37 5.22 0.52 -1.26 -1.32 118.94 125.80 1x83 s TRP 62 Ca 0.10 1.70 -0.07 0.00 0.02 0.00 0.00 56.10 57.85 1x83 s TRP 62 Cb -0.12 -3.19 0.02 0.00 -1.15 0.00 0.00 33.47 29.04 1x83 s TRP 62 CO 0.02 -0.27 0.60 -0.08 0.02 0.00 0.00 176.95 177.24 1x83 s THR 63 N -0.40 0.00 0.81 2.01 -1.32 0.58 -1.28 115.64 116.03 1x83 s THR 63 Ca 0.47 -1.37 -0.14 0.00 -1.21 0.00 0.00 61.69 59.44 1x83 s THR 63 Cb -0.28 -2.78 0.20 0.00 -1.51 0.00 0.00 72.50 68.13 1x83 s THR 63 CO 0.34 0.00 0.85 -0.46 -2.21 0.00 0.00 174.62 173.14 1x83 n ASN 64 N -1.51 -1.03 0.23 8.08 0.23 -1.26 -1.88 115.26 118.12 1x83 n ASN 64 Ca -0.03 -1.13 -0.15 0.00 -0.53 0.00 0.00 54.58 52.74 1x83 n ASN 64 Cb 0.61 -0.73 -0.08 0.00 -2.08 0.00 0.00 39.78 37.51 1x83 n ASN 64 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1x83 h SER 65 N -1.84 -0.77 -3.39 0.53 0.02 -1.52 -3.37 113.55 103.21 1x83 h SER 65 Ca -0.30 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.60 1x83 h SER 65 Cb 0.88 0.25 -0.26 0.00 0.14 0.00 0.00 62.40 63.41 1x83 h SER 65 CO 0.20 -0.44 -0.26 0.54 -1.14 0.00 0.00 176.83 175.73 1x83 s VAL 66 N -6.05 -0.02 0.10 2.27 0.11 -1.03 -4.68 120.40 111.11 1x83 s VAL 66 Ca -0.16 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 1x83 s VAL 66 Cb 0.06 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1x83 s VAL 66 CO 0.63 0.03 -0.11 0.00 -3.33 0.00 0.00 175.10 172.32 1x83 n GLY 68 N 0.66 1.41 2.74 0.00 0.00 -0.93 -5.00 105.19 104.07 1x83 n GLY 68 Ca -0.17 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1x83 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x83 s HIS 69 N -2.56 0.90 0.44 1.61 3.76 -1.26 -1.04 115.29 117.14 1x83 s HIS 69 Ca 0.00 -0.68 -0.25 0.00 -0.15 0.00 0.00 55.06 53.98 1x83 s HIS 69 Cb 0.00 -0.96 -0.09 0.00 1.11 0.00 0.00 32.58 32.64 1x83 s HIS 69 CO 0.00 -0.54 1.38 -2.30 -0.85 0.00 0.00 174.74 172.42 1x83 n PRO 70 N 5.08 2.14 -2.47 8.40 -0.02 -1.26 -4.98 135.00 141.90 1x83 n PRO 70 Ca -0.08 0.76 -0.23 0.00 -2.02 0.00 0.00 63.50 61.93 1x83 n PRO 70 Cb 0.48 -2.54 0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1x83 n PRO 70 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1x83 s GLN 71 N -2.35 2.40 -0.07 -0.52 -1.52 -1.26 -4.50 119.66 111.84 1x83 s GLN 71 Ca 0.61 -0.59 -0.37 0.00 -1.95 0.00 0.00 55.36 53.06 1x83 s GLN 71 Cb -0.47 -2.37 -0.15 0.00 -0.22 0.00 0.00 33.01 29.80 1x83 s GLN 71 CO 0.58 -0.92 1.61 -0.11 -0.25 0.00 0.00 175.29 176.20 1x83 n LEU 72 N -2.56 2.43 0.00 2.90 7.94 -1.26 -1.16 117.00 125.29 1x83 n LEU 72 Ca 0.08 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1x83 n LEU 72 Cb 0.60 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.31 1x83 n LEU 72 CO 0.48 -0.55 0.00 0.61 -1.11 0.00 0.00 177.39 176.82 1x83 n GLY 73 N 3.58 0.81 3.74 -3.96 0.00 -1.26 -5.01 105.19 103.10 1x83 n GLY 73 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1x83 n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x83 s GLU 74 N -0.11 4.27 0.56 1.61 2.12 -0.31 -5.06 118.70 121.78 1x83 s GLU 74 Ca 0.00 0.39 -0.20 0.00 0.36 0.00 0.00 54.97 55.52 1x83 s GLU 74 Cb 0.00 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1x83 s GLU 74 CO 0.00 0.26 1.21 -1.54 -0.54 0.00 0.00 175.26 174.65 1x83 s SER 75 N 0.32 5.41 0.26 -1.70 1.04 -1.26 -4.67 113.70 113.10 1x83 s SER 75 Ca 0.24 2.40 -0.03 0.00 0.48 0.00 0.00 55.95 59.05 1x83 s SER 75 Cb -0.15 -2.60 0.54 0.00 0.10 0.00 0.00 66.02 63.90 1x83 s SER 75 CO 0.10 -1.45 1.68 0.78 0.98 0.00 0.00 173.24 175.33 1x83 h ASN 76 N 1.17 0.05 -0.25 7.02 -0.26 -1.97 0.95 115.58 122.29 1x83 h ASN 76 Ca -0.50 0.16 -0.14 0.00 -0.56 0.00 0.00 56.30 55.26 1x83 h ASN 76 Cb 1.29 0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 38.74 1x83 h ASN 76 CO 0.56 -0.05 -0.33 -0.33 -1.06 0.00 0.00 177.43 176.22 1x83 h GLU 77 N 0.28 0.77 -0.16 0.81 3.07 -1.94 -1.21 114.58 116.21 1x83 h GLU 77 Ca 0.46 -0.37 -0.13 0.00 -0.50 0.00 0.00 59.36 58.81 1x83 h GLU 77 Cb 0.82 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1x83 h GLU 77 CO -0.54 0.99 -0.48 -0.44 -1.40 0.00 0.00 179.01 177.15 1x83 h ASP 78 N 0.65 0.44 -0.19 1.42 3.32 -1.63 -1.24 116.42 119.19 1x83 h ASP 78 Ca 0.07 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1x83 h ASP 78 Cb 0.87 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1x83 h ASP 78 CO 0.08 0.85 0.11 0.00 -1.72 0.00 0.00 179.24 178.56 1x83 h ALA 79 N 1.16 0.24 -0.22 3.45 0.00 -0.43 0.57 119.26 124.03 1x83 h ALA 79 Ca 0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1x83 h ALA 79 Cb 0.96 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1x83 h ALA 79 CO 0.08 -0.24 -0.03 0.28 0.00 0.00 0.00 179.25 179.34 1x83 h VAL 80 N 0.22 0.81 -0.77 0.00 2.07 -1.08 -0.63 116.25 116.87 1x83 h VAL 80 Ca 0.07 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1x83 h VAL 80 Cb 0.04 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1x83 h VAL 80 CO -0.01 0.01 0.40 0.40 0.02 0.00 0.00 177.57 178.38 1x83 h ILE 81 N 0.03 1.23 -0.17 4.57 2.04 -0.98 -0.74 117.51 123.49 1x83 h ILE 81 Ca 0.11 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1x83 h ILE 81 Cb 0.15 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1x83 h ILE 81 CO -0.20 0.27 0.04 -0.09 0.00 0.00 0.00 178.15 178.16 1x83 h ARG 82 N 1.08 0.27 0.00 2.37 2.43 -0.52 -2.63 114.38 117.38 1x83 h ARG 82 Ca 0.27 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1x83 h ARG 82 Cb 0.06 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1x83 h ARG 82 CO -0.04 0.41 -0.54 0.00 -1.51 0.00 0.00 179.97 178.29 1x83 h ARG 83 N 0.08 0.00 -0.37 0.20 2.47 -0.78 0.29 114.38 116.27 1x83 h ARG 83 Ca 0.05 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1x83 h ARG 83 Cb 0.26 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1x83 h ARG 83 CO 0.00 0.54 0.22 0.00 0.56 0.00 0.00 179.97 181.29 1x83 h ARG 85 N 0.45 0.29 -0.05 0.00 3.08 -1.11 -1.43 114.38 115.62 1x83 h ARG 85 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1x83 h ARG 85 Cb -0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1x83 h ARG 85 CO -0.06 0.29 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.18 1x83 h TYR 86 N 0.21 0.11 0.18 3.04 3.20 -0.68 -0.44 116.97 122.59 1x83 h TYR 86 Ca 0.07 -0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.61 1x83 h TYR 86 Cb 0.09 -0.03 0.02 0.00 1.54 0.00 0.00 36.73 38.35 1x83 h TYR 86 CO -0.03 0.50 -1.38 0.93 -1.64 0.00 0.00 178.16 176.55 1x83 h GLU 87 N -0.31 0.37 0.00 1.82 5.08 -0.69 -3.41 114.58 117.45 1x83 h GLU 87 Ca 0.01 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1x83 h GLU 87 Cb 0.48 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1x83 h GLU 87 CO 0.01 1.30 0.00 1.28 -1.00 0.00 0.00 179.01 180.59 1x83 n LEU 88 N -3.59 0.65 -3.84 1.33 4.77 -0.62 -1.29 117.00 114.40 1x83 n LEU 88 Ca -0.13 -0.78 -0.30 0.00 -0.03 0.00 0.00 56.01 54.78 1x83 n LEU 88 Cb 1.06 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 1x83 n LEU 88 CO 0.56 0.16 0.07 0.61 -1.33 0.00 0.00 177.39 177.46 1x83 n GLY 89 N 0.25 -0.49 3.28 -0.72 0.00 -0.17 0.05 105.19 107.38 1x83 n GLY 89 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1x83 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x83 s VAL 90 N -3.24 1.95 0.26 1.61 0.11 -1.04 -4.00 120.40 116.05 1x83 s VAL 90 Ca 0.63 -1.05 -0.17 0.00 -2.93 0.00 0.00 61.98 58.46 1x83 s VAL 90 Cb -0.32 -1.63 -0.08 0.00 -1.53 0.00 0.00 36.38 32.82 1x83 s VAL 90 CO 0.77 0.55 0.72 -1.61 -3.33 0.00 0.00 175.10 172.21 1x83 s GLU 91 N -0.48 4.14 0.12 1.54 0.41 -1.26 -3.33 118.70 119.84 1x83 s GLU 91 Ca 0.06 0.77 0.00 0.00 -0.41 0.00 0.00 54.97 55.40 1x83 s GLU 91 Cb -0.10 -2.70 -0.04 0.00 -1.78 0.00 0.00 34.13 29.50 1x83 s GLU 91 CO 0.00 0.30 0.01 0.96 -0.49 0.00 0.00 175.26 176.04 1x83 s ILE 92 N -1.70 0.36 0.72 -1.63 -4.36 -1.26 -0.74 121.20 112.59 1x83 s ILE 92 Ca 0.47 -1.91 -0.11 0.00 -0.26 0.00 0.00 60.65 58.84 1x83 s ILE 92 Cb -0.14 -1.91 0.02 0.00 1.25 0.00 0.00 42.46 41.69 1x83 s ILE 92 CO 0.19 -0.64 1.07 0.42 0.24 0.00 0.00 174.94 176.23 1x83 s THR 93 N -3.86 3.76 -0.01 8.37 -4.23 0.42 -4.85 115.64 115.24 1x83 s THR 93 Ca 0.19 0.58 -0.34 0.00 -1.18 0.00 0.00 61.69 60.94 1x83 s THR 93 Cb 0.07 -3.22 -0.12 0.00 1.34 0.00 0.00 72.50 70.57 1x83 s THR 93 CO -0.01 -0.73 1.81 -2.65 -0.54 0.00 0.00 174.62 172.49 1x83 n PRO 94 N -3.23 2.21 -1.67 3.99 -0.02 -1.26 -4.53 135.00 130.50 1x83 n PRO 94 Ca 0.08 0.81 -0.44 0.00 -2.02 0.00 0.00 63.50 61.93 1x83 n PRO 94 Cb 0.53 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1x83 n PRO 94 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1x83 n PRO 95 N 5.82 2.00 -4.17 0.52 -0.02 -1.26 -4.88 135.00 133.00 1x83 n PRO 95 Ca 0.21 0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 62.08 1x83 n PRO 95 Cb 0.30 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 1x83 n PRO 95 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1x83 s GLU 96 N -0.85 2.75 0.02 -0.52 -1.05 -0.31 -4.91 118.70 113.82 1x83 s GLU 96 Ca 0.64 -0.69 -0.28 0.00 -0.15 0.00 0.00 54.97 54.49 1x83 s GLU 96 Cb -0.64 -2.65 -0.04 0.00 -0.44 0.00 0.00 34.13 30.36 1x83 s GLU 96 CO 0.54 0.59 0.90 0.45 0.95 0.00 0.00 175.26 178.68 1x83 s SER 97 N -1.99 7.31 -0.00 0.83 0.15 -1.26 -0.34 113.70 118.40 1x83 s SER 97 Ca 0.24 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.47 1x83 s SER 97 Cb -0.12 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1x83 s SER 97 CO 0.16 -0.16 0.00 2.30 1.20 0.00 0.00 173.24 176.74 1x83 n ILE 98 N 3.51 0.01 -3.07 6.45 -6.64 -0.29 -4.89 119.36 114.44 1x83 n ILE 98 Ca 0.03 -0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 60.87 1x83 n ILE 98 Cb 0.51 -0.53 -0.04 0.00 -1.44 0.00 0.00 39.64 38.14 1x83 n ILE 98 CO 0.00 0.00 0.00 -0.47 -1.77 0.00 0.00 176.55 174.31 1x83 s TYR 99 N -2.01 -0.56 0.00 4.28 6.14 -1.12 -4.07 117.35 120.02 1x83 s TYR 99 Ca -0.00 -1.15 0.23 0.00 0.64 0.00 0.00 57.07 56.79 1x83 s TYR 99 Cb 0.00 -0.18 0.74 0.00 0.42 0.00 0.00 41.96 42.94 1x83 s TYR 99 CO 0.01 -1.09 1.75 -1.00 0.64 0.00 0.00 175.55 175.86 1x83 h PRO 100 N 5.55 0.00 -0.39 4.97 0.13 -1.92 -0.73 132.00 139.61 1x83 h PRO 100 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1x83 h PRO 100 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1x83 h PRO 100 CO 0.16 0.22 0.00 -0.40 -0.23 0.00 0.00 178.00 177.75 1x83 n ASP 101 N -3.29 3.76 -4.77 1.44 5.75 -1.26 -4.46 116.55 113.73 1x83 n ASP 101 Ca 0.01 -2.50 -0.41 0.00 -0.01 0.00 0.00 54.79 51.88 1x83 n ASP 101 Cb 0.48 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 40.13 1x83 n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1x83 s PHE 102 N -1.90 2.69 -0.14 2.11 5.36 -1.21 -4.90 117.98 119.99 1x83 s PHE 102 Ca 0.37 1.10 -0.10 0.00 -0.96 0.00 0.00 56.93 57.34 1x83 s PHE 102 Cb 0.26 -3.99 0.05 0.00 -0.34 0.00 0.00 43.02 38.99 1x83 s PHE 102 CO 0.15 -3.00 0.35 1.03 -1.46 0.00 0.00 175.22 172.30 1x83 s ARG 103 N -1.61 0.36 0.24 10.12 1.81 -1.26 -0.56 118.95 128.06 1x83 s ARG 103 Ca 0.55 0.62 -0.19 0.00 -1.72 0.00 0.00 55.73 54.99 1x83 s ARG 103 Cb -0.46 0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.11 1x83 s ARG 103 CO 0.58 -0.12 0.61 -0.59 -0.68 0.00 0.00 175.30 175.10 1x83 s PHE 104 N 0.89 -0.13 -0.04 -0.53 -0.12 0.17 -4.98 117.98 113.23 1x83 s PHE 104 Ca -0.06 -0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 56.56 1x83 s PHE 104 Cb -0.06 0.53 0.03 0.00 -0.63 0.00 0.00 43.02 42.89 1x83 s PHE 104 CO -0.07 -1.06 0.08 0.50 -0.05 0.00 0.00 175.22 174.62 1x83 s ARG 105 N -3.90 -0.01 0.18 1.99 3.52 -1.26 -0.70 118.95 118.77 1x83 s ARG 105 Ca 0.11 0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.97 1x83 s ARG 105 Cb -0.03 -0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 33.05 1x83 s ARG 105 CO 0.02 -0.22 0.24 0.00 -0.81 0.00 0.00 175.30 174.53 1x83 s ALA 106 N 1.49 0.38 -0.10 6.12 0.00 -0.49 -5.01 121.76 124.14 1x83 s ALA 106 Ca -0.05 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1x83 s ALA 106 Cb -0.12 1.01 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1x83 s ALA 106 CO -0.04 -0.64 -0.14 0.99 0.00 0.00 0.00 175.76 175.92 1x83 s THR 107 N -4.03 1.43 0.83 0.00 2.01 -1.26 -1.45 115.64 113.17 1x83 s THR 107 Ca 0.24 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 1x83 s THR 107 Cb 0.04 -1.31 0.10 0.00 0.01 0.00 0.00 72.50 71.34 1x83 s THR 107 CO 0.05 0.43 1.20 1.51 -0.69 0.00 0.00 174.62 177.11 1x83 s ASP 108 N 0.97 4.25 0.66 3.53 -4.77 0.19 -4.91 116.67 116.60 1x83 s ASP 108 Ca -0.07 0.66 0.34 0.00 -3.30 0.00 0.00 52.55 50.18 1x83 s ASP 108 Cb -0.15 -1.07 1.87 0.00 -1.09 0.00 0.00 42.92 42.48 1x83 s ASP 108 CO -0.01 -2.05 2.07 -0.65 0.70 0.00 0.00 175.17 175.23 1x83 h PRO 109 N -1.15 0.00 -0.39 2.11 0.11 -1.99 -1.40 132.00 129.29 1x83 h PRO 109 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1x83 h PRO 109 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1x83 h PRO 109 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 1x83 n SER 110 N -3.08 3.42 0.00 -2.05 3.41 -1.26 -4.92 113.62 109.14 1x83 n SER 110 Ca -0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1x83 n SER 110 Cb 0.29 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1x83 n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x83 n GLY 111 N 1.43 0.83 3.73 5.00 0.00 -0.53 -5.05 105.19 110.60 1x83 n GLY 111 Ca 0.19 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1x83 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x83 s ILE 112 N -2.00 4.49 -0.09 -0.61 -1.09 -1.26 -3.78 121.20 116.86 1x83 s ILE 112 Ca 0.00 2.07 -0.04 0.00 -2.23 0.00 0.00 60.65 60.45 1x83 s ILE 112 Cb 0.00 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1x83 s ILE 112 CO 0.00 0.32 0.08 -0.69 -1.23 0.00 0.00 174.94 173.42 1x83 s VAL 113 N -0.03 4.96 -0.06 2.92 1.01 0.11 -0.63 120.40 128.67 1x83 s VAL 113 Ca 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 1x83 s VAL 113 Cb -0.23 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1x83 s VAL 113 CO 0.30 0.59 -0.01 -1.61 0.00 0.00 0.00 175.10 174.36 1x83 s GLU 114 N -1.05 2.89 -0.32 2.72 0.41 -0.53 -4.38 118.70 118.46 1x83 s GLU 114 Ca 0.15 -0.48 -0.01 0.00 -0.41 0.00 0.00 54.97 54.22 1x83 s GLU 114 Cb -0.12 -2.73 0.13 0.00 -1.78 0.00 0.00 34.13 29.64 1x83 s GLU 114 CO 0.04 0.68 0.25 1.21 -0.49 0.00 0.00 175.26 176.95 1x83 s ASN 115 N -1.04 2.34 -0.00 -0.19 3.84 -1.26 -1.40 114.94 117.23 1x83 s ASN 115 Ca 0.15 -1.32 -0.03 0.00 0.21 0.00 0.00 52.86 51.87 1x83 s ASN 115 Cb -0.11 0.11 -0.00 0.00 -0.55 0.00 0.00 41.25 40.70 1x83 s ASN 115 CO 0.04 -0.36 0.05 -1.61 -2.79 0.00 0.00 177.10 172.42 1x83 s GLU 116 N 1.88 0.26 -0.26 0.43 2.02 0.12 -1.76 118.70 121.39 1x83 s GLU 116 Ca 0.12 -0.27 -0.19 0.00 0.02 0.00 0.00 54.97 54.65 1x83 s GLU 116 Cb -0.16 0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.15 1x83 s GLU 116 CO -0.22 -0.05 0.59 0.08 0.02 0.00 0.00 175.26 175.68 1x83 s VAL 117 N -0.83 5.01 -0.43 2.63 1.01 -0.60 -0.66 120.40 126.54 1x83 s VAL 117 Ca -0.09 1.03 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1x83 s VAL 117 Cb -0.06 -3.90 0.17 0.00 0.00 0.00 0.00 36.38 32.60 1x83 s VAL 117 CO 0.00 0.04 0.36 0.00 0.00 0.00 0.00 175.10 175.49 1x83 s PRO 119 N -0.07 3.66 -0.11 0.00 0.04 -1.24 -4.33 135.00 132.95 1x83 s PRO 119 Ca 0.33 2.26 -0.04 0.00 0.04 0.00 0.00 61.00 63.59 1x83 s PRO 119 Cb 0.04 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1x83 s PRO 119 CO -0.20 -0.79 0.03 0.08 0.04 0.00 0.00 177.00 176.17 1x83 s VAL 120 N -1.26 4.59 0.31 -0.36 1.01 -0.29 -1.78 120.40 122.62 1x83 s VAL 120 Ca 0.62 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.52 1x83 s VAL 120 Cb -0.40 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 1x83 s VAL 120 CO 0.51 0.58 -0.01 -0.36 0.00 0.00 0.00 175.10 175.82 1x83 s PHE 121 N -0.65 2.02 0.13 5.22 0.40 0.11 -1.14 117.98 124.08 1x83 s PHE 121 Ca 0.11 -0.78 0.05 0.00 -0.60 0.00 0.00 56.93 55.71 1x83 s PHE 121 Cb -0.12 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1x83 s PHE 121 CO 0.02 0.21 -0.12 0.00 0.70 0.00 0.00 175.22 176.03 1x83 s ALA 122 N -3.07 1.44 0.15 5.36 0.00 0.54 -1.36 121.76 124.82 1x83 s ALA 122 Ca 0.33 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 1x83 s ALA 122 Cb 0.06 -0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.25 1x83 s ALA 122 CO 0.14 -0.02 0.92 0.00 0.00 0.00 0.00 175.76 176.80 1x83 s ALA 123 N -2.80 -1.64 -0.06 0.00 0.00 -0.70 -1.16 121.76 115.40 1x83 s ALA 123 Ca 0.13 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 1x83 s ALA 123 Cb -0.01 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1x83 s ALA 123 CO 0.02 -1.00 0.03 1.03 0.00 0.00 0.00 175.76 175.84 1x83 s ARG 124 N -3.33 3.00 0.47 0.00 0.52 -1.26 -1.49 118.95 116.86 1x83 s ARG 124 Ca 0.11 -0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 54.68 1x83 s ARG 124 Cb -0.02 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 1x83 s ARG 124 CO 0.01 0.68 1.02 0.95 0.02 0.00 0.00 175.30 177.98 1x83 s THR 125 N -1.00 3.94 0.00 0.02 -4.23 -0.43 -0.44 115.64 113.51 1x83 s THR 125 Ca 0.16 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 1x83 s THR 125 Cb -0.12 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1x83 s THR 125 CO 0.06 -0.25 0.78 0.35 -0.54 0.00 0.00 174.62 175.02 1x83 n THR 126 N -0.85 0.60 -3.91 3.99 -2.24 0.08 -4.41 114.28 107.54 1x83 n THR 126 Ca 0.09 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1x83 n THR 126 Cb 0.53 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1x83 n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x83 s SER 127 N -0.60 -0.08 0.79 3.42 1.04 -1.25 -4.91 113.70 112.11 1x83 s SER 127 Ca 0.00 -0.78 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 1x83 s SER 127 Cb 0.00 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1x83 s SER 127 CO 0.00 -1.00 1.09 0.00 0.98 0.00 0.00 173.24 174.31 1x83 s ALA 128 N -3.95 2.16 0.34 5.32 0.00 -1.26 -4.68 121.76 119.69 1x83 s ALA 128 Ca 0.16 0.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.08 1x83 s ALA 128 Cb 0.01 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 1x83 s ALA 128 CO 0.01 -1.84 0.98 -0.51 0.00 0.00 0.00 175.76 174.40 1x83 s LEU 129 N -5.96 4.29 -0.36 0.00 1.43 -1.26 -4.52 118.68 112.31 1x83 s LEU 129 Ca 0.61 1.92 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1x83 s LEU 129 Cb -0.17 -4.04 0.11 0.00 0.03 0.00 0.00 46.19 42.12 1x83 s LEU 129 CO 0.56 -0.19 0.14 -1.58 0.23 0.00 0.00 176.35 175.52 1x83 s GLN 130 N -2.15 0.95 0.28 1.70 0.74 0.11 -4.99 119.66 116.29 1x83 s GLN 130 Ca 0.52 -1.45 -0.29 0.00 0.05 0.00 0.00 55.36 54.19 1x83 s GLN 130 Cb -0.20 -2.17 -0.10 0.00 1.10 0.00 0.00 33.01 31.65 1x83 s GLN 130 CO 0.26 -1.05 1.26 0.42 -0.55 0.00 0.00 175.29 175.63 1x83 s ILE 131 N 1.13 3.04 -0.50 -2.34 -1.09 -1.26 -2.45 121.20 117.73 1x83 s ILE 131 Ca 0.13 0.97 -0.15 0.00 -2.23 0.00 0.00 60.65 59.37 1x83 s ILE 131 Cb -0.20 -3.62 0.09 0.00 -1.58 0.00 0.00 42.46 37.15 1x83 s ILE 131 CO -0.15 0.20 0.43 0.21 -1.23 0.00 0.00 174.94 174.41 1x83 s ASN 132 N -0.30 6.15 0.00 3.58 3.84 -0.41 -4.95 114.94 122.85 1x83 s ASN 132 Ca 0.51 -1.50 0.19 0.00 0.21 0.00 0.00 52.86 52.26 1x83 s ASN 132 Cb -0.37 -2.19 1.01 0.00 -0.55 0.00 0.00 41.25 39.15 1x83 s ASN 132 CO 0.46 -0.72 1.54 -0.90 -2.79 0.00 0.00 177.10 174.69 1x83 n ASP 133 N 5.21 0.00 0.16 -4.21 5.68 -1.26 -0.80 116.55 121.33 1x83 n ASP 133 Ca -0.13 -0.22 0.12 0.00 -0.50 0.00 0.00 54.79 54.07 1x83 n ASP 133 Cb 0.42 -0.17 0.26 0.00 -1.14 0.00 0.00 41.12 40.49 1x83 n ASP 133 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1x83 h ASP 134 N 0.00 0.00 0.00 -1.12 3.32 -1.95 -3.37 116.42 113.30 1x83 h ASP 134 Ca 0.00 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.78 1x83 h ASP 134 Cb 0.10 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1x83 h ASP 134 CO 0.00 0.01 -1.96 -0.62 -1.72 0.00 0.00 179.24 174.95 1x83 n GLU 135 N -2.69 0.40 -4.71 3.56 -0.58 0.01 -4.69 120.64 111.94 1x83 n GLU 135 Ca 0.04 0.11 -0.31 0.00 -0.42 0.00 0.00 57.16 56.59 1x83 n GLU 135 Cb 0.49 -1.28 -0.17 0.00 -0.57 0.00 0.00 31.44 29.91 1x83 n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x83 s VAL 136 N -2.33 1.83 -0.40 2.62 1.01 0.02 -1.28 120.40 121.87 1x83 s VAL 136 Ca -0.23 -0.85 0.22 0.00 0.00 0.00 0.00 61.98 61.12 1x83 s VAL 136 Cb 0.07 -1.62 -0.28 0.00 0.00 0.00 0.00 36.38 34.54 1x83 s VAL 136 CO 0.36 0.51 0.67 1.15 0.00 0.00 0.00 175.10 177.79 1x83 n MET 137 N 3.99 0.41 -3.52 2.72 0.00 -0.47 -4.06 117.12 116.18 1x83 n MET 137 Ca -0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 57.70 57.31 1x83 n MET 137 Cb 0.52 -1.53 -0.02 0.00 0.00 0.00 0.00 33.22 32.19 1x83 n MET 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1x83 s ASP 138 N -3.99 -0.34 0.17 3.17 -1.08 -1.23 -5.00 116.67 108.37 1x83 s ASP 138 Ca -0.02 0.04 -0.18 0.00 -0.52 0.00 0.00 52.55 51.88 1x83 s ASP 138 Cb 0.15 0.35 0.04 0.00 -1.46 0.00 0.00 42.92 42.00 1x83 s ASP 138 CO 0.89 -0.55 0.50 -0.72 0.52 0.00 0.00 175.17 175.80 1x83 s TYR 139 N -2.84 -0.21 -0.02 -5.34 -0.85 -1.26 -0.30 117.35 106.53 1x83 s TYR 139 Ca 0.05 -0.10 -0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1x83 s TYR 139 Cb -0.01 0.38 0.03 0.00 0.38 0.00 0.00 41.96 42.74 1x83 s TYR 139 CO -0.07 -0.85 0.03 -1.14 -1.52 0.00 0.00 175.55 172.00 1x83 s GLN 140 N -3.83 -0.03 -0.18 -3.49 2.00 -0.07 -5.00 119.66 109.06 1x83 s GLN 140 Ca 0.06 0.17 -0.21 0.00 -2.00 0.00 0.00 55.36 53.38 1x83 s GLN 140 Cb -0.00 -0.21 -0.03 0.00 0.80 0.00 0.00 33.01 33.58 1x83 s GLN 140 CO -0.07 -0.14 0.65 -1.58 -0.50 0.00 0.00 175.29 173.65 1x83 s TRP 141 N 0.91 3.40 0.32 1.67 0.52 -1.26 -0.79 118.94 123.71 1x83 s TRP 141 Ca -0.08 0.99 0.05 0.00 0.02 0.00 0.00 56.10 57.09 1x83 s TRP 141 Cb -0.11 -2.82 -0.03 0.00 -1.15 0.00 0.00 33.47 29.37 1x83 s TRP 141 CO -0.03 -0.15 0.29 0.00 0.02 0.00 0.00 176.95 177.09 1x83 s ASP 143 N -3.33 7.17 0.32 0.00 1.11 -1.26 -0.48 116.67 120.21 1x83 s ASP 143 Ca 0.39 1.41 0.06 0.00 0.18 0.00 0.00 52.55 54.59 1x83 s ASP 143 Cb 0.03 -2.47 0.71 0.00 1.07 0.00 0.00 42.92 42.25 1x83 s ASP 143 CO 0.25 -0.10 1.85 0.25 1.18 0.00 0.00 175.17 178.60 1x83 h LEU 144 N 6.34 0.77 -1.16 1.23 5.85 -1.92 -1.73 115.31 124.70 1x83 h LEU 144 Ca -0.42 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1x83 h LEU 144 Cb 1.21 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1x83 h LEU 144 CO 0.74 0.40 0.43 0.00 -0.34 0.00 0.00 178.44 179.66 1x83 h ALA 145 N 1.58 1.36 -0.31 1.25 0.00 -1.99 0.77 119.26 121.93 1x83 h ALA 145 Ca 0.47 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1x83 h ALA 145 Cb 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x83 h ALA 145 CO -0.23 0.54 -0.21 -0.44 0.00 0.00 0.00 179.25 178.90 1x83 h ASP 146 N 1.02 0.72 -0.77 0.00 3.32 -1.74 -1.65 116.42 117.32 1x83 h ASP 146 Ca 0.26 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1x83 h ASP 146 Cb -0.01 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 1x83 h ASP 146 CO -0.05 1.00 0.48 0.58 -1.72 0.00 0.00 179.24 179.54 1x83 h VAL 147 N 0.44 1.21 -0.58 -1.35 2.07 -0.86 0.12 116.25 117.30 1x83 h VAL 147 Ca 0.06 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1x83 h VAL 147 Cb 0.76 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1x83 h VAL 147 CO 0.06 0.21 0.09 -0.07 0.02 0.00 0.00 177.57 177.88 1x83 h LEU 148 N 1.05 0.89 -0.67 2.57 3.38 -0.81 0.63 115.31 122.35 1x83 h LEU 148 Ca 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1x83 h LEU 148 Cb -0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1x83 h LEU 148 CO -0.06 0.90 0.34 0.45 0.09 0.00 0.00 178.44 180.16 1x83 h HIS 149 N 0.88 0.95 0.19 1.13 3.86 -0.40 0.25 115.15 122.02 1x83 h HIS 149 Ca 0.18 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1x83 h HIS 149 Cb 0.39 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1x83 h HIS 149 CO 0.02 0.70 -0.18 0.78 0.86 0.00 0.00 177.93 180.11 1x83 h GLY 150 N 0.93 -0.39 0.78 2.45 0.00 -0.19 0.28 103.07 106.93 1x83 h GLY 150 Ca 0.23 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.82 1x83 h GLY 150 CO -0.03 -0.18 0.58 -2.22 0.00 0.00 0.00 176.54 174.69 1x83 h ILE 151 N -0.40 1.09 -0.20 2.60 2.04 -0.57 0.20 117.51 122.28 1x83 h ILE 151 Ca 0.00 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1x83 h ILE 151 Cb 0.37 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1x83 h ILE 151 CO -0.04 0.20 -0.35 0.44 0.00 0.00 0.00 178.15 178.40 1x83 h ASP 152 N 1.08 0.44 0.11 1.72 3.32 -0.20 -2.89 116.42 120.01 1x83 h ASP 152 Ca 0.39 -0.17 -0.26 0.00 0.02 0.00 0.00 57.03 57.00 1x83 h ASP 152 Cb 0.11 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1x83 h ASP 152 CO -0.16 0.76 -1.33 0.00 -1.72 0.00 0.00 179.24 176.79 1x83 h ALA 153 N 1.27 0.16 -2.27 3.45 0.00 0.48 -3.42 119.26 118.93 1x83 h ALA 153 Ca 0.04 -1.05 -0.58 0.00 0.00 0.00 0.00 54.91 53.32 1x83 h ALA 153 Cb 0.79 0.45 -0.40 0.00 0.00 0.00 0.00 17.79 18.63 1x83 h ALA 153 CO 0.06 0.77 -0.89 0.25 0.00 0.00 0.00 179.25 179.44 1x83 n THR 154 N -3.97 0.20 0.08 0.00 -2.24 0.63 -4.95 114.28 104.02 1x83 n THR 154 Ca -0.24 -4.27 0.07 0.00 -2.27 0.00 0.00 64.05 57.34 1x83 n THR 154 Cb 0.88 -1.95 0.52 0.00 -2.10 0.00 0.00 70.33 67.68 1x83 n THR 154 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1x83 h PRO 155 N 4.59 0.30 0.00 -0.78 0.13 -1.65 -1.02 132.00 133.57 1x83 h PRO 155 Ca 0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1x83 h PRO 155 Cb 0.82 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1x83 h PRO 155 CO 0.56 0.20 0.00 -2.67 -0.23 0.00 0.00 178.00 175.86 1x83 n TRP 156 N -4.49 0.61 1.69 1.56 4.27 -1.26 -1.19 117.44 118.63 1x83 n TRP 156 Ca 0.02 0.31 0.15 0.00 -3.89 0.00 0.00 57.50 54.09 1x83 n TRP 156 Cb 0.14 -1.00 0.71 0.00 -1.36 0.00 0.00 31.31 29.80 1x83 n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x83 n ALA 157 N -1.73 2.65 -2.48 -1.67 0.00 -0.39 -4.86 120.51 112.04 1x83 n ALA 157 Ca -0.01 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.88 1x83 n ALA 157 Cb 0.05 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 1x83 n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x83 s PHE 158 N -2.06 2.13 0.58 0.00 0.08 -0.33 -4.30 117.98 114.08 1x83 s PHE 158 Ca 0.41 -0.66 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 1x83 s PHE 158 Cb 0.21 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.37 1x83 s PHE 158 CO 0.37 0.36 1.31 -1.54 -0.10 0.00 0.00 175.22 175.62 1x83 s SER 159 N -3.52 5.06 0.37 1.36 1.04 -0.41 -4.86 113.70 112.74 1x83 s SER 159 Ca 0.31 2.65 0.11 0.00 0.48 0.00 0.00 55.95 59.50 1x83 s SER 159 Cb 0.04 -2.62 0.71 0.00 0.10 0.00 0.00 66.02 64.24 1x83 s SER 159 CO 0.14 -1.70 1.84 1.55 0.98 0.00 0.00 173.24 176.05 1x83 h PRO 160 N 1.08 0.12 -0.07 4.02 0.13 -1.93 -2.16 132.00 133.19 1x83 h PRO 160 Ca -0.51 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.39 1x83 h PRO 160 Cb 1.31 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1x83 h PRO 160 CO 0.56 0.41 -0.78 0.11 -0.23 0.00 0.00 178.00 178.06 1x83 h TRP 161 N 0.11 0.62 -0.63 1.56 0.09 -1.99 -0.94 115.95 114.76 1x83 h TRP 161 Ca 0.01 -0.29 0.06 0.00 0.09 0.00 0.00 58.89 58.76 1x83 h TRP 161 Cb 0.58 -0.09 -0.05 0.00 0.08 0.00 0.00 29.16 29.68 1x83 h TRP 161 CO 0.00 1.07 0.34 1.98 0.09 0.00 0.00 178.44 181.92 1x83 h MET 162 N 0.29 0.62 0.27 0.12 4.05 -1.84 -0.28 114.93 118.17 1x83 h MET 162 Ca -0.04 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1x83 h MET 162 Cb 1.38 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 1x83 h MET 162 CO 0.14 0.41 -0.13 0.28 0.23 0.00 0.00 176.91 177.84 1x83 h VAL 163 N 0.64 0.77 -0.76 -5.77 2.07 -1.24 0.46 116.25 112.40 1x83 h VAL 163 Ca 0.28 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1x83 h VAL 163 Cb 0.17 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1x83 h VAL 163 CO -0.18 0.06 0.50 0.24 0.02 0.00 0.00 177.57 178.21 1x83 h MET 164 N -0.50 0.86 0.03 1.57 2.86 -0.99 -0.82 114.93 117.94 1x83 h MET 164 Ca -0.04 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1x83 h MET 164 Cb 0.37 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1x83 h MET 164 CO 0.06 0.57 -0.01 1.96 1.06 0.00 0.00 176.91 180.54 1x83 h GLN 165 N 0.88 -0.04 0.00 1.72 4.20 -0.85 -2.41 115.11 118.61 1x83 h GLN 165 Ca 0.32 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1x83 h GLN 165 Cb 0.13 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1x83 h GLN 165 CO -0.10 0.31 -0.08 0.00 -0.67 0.00 0.00 178.83 178.29 1x83 h ALA 166 N 0.57 1.37 -0.00 3.87 0.00 -0.55 -2.43 119.26 122.09 1x83 h ALA 166 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1x83 h ALA 166 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1x83 h ALA 166 CO 0.01 0.10 -0.53 0.25 0.00 0.00 0.00 179.25 179.07 1x83 n THR 167 N -3.72 0.00 -2.23 0.00 -2.24 -0.34 -4.34 114.28 101.40 1x83 n THR 167 Ca -0.02 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1x83 n THR 167 Cb 0.18 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1x83 n THR 167 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1x83 s ASN 168 N -2.80 6.83 0.07 3.42 3.84 -0.91 -4.91 114.94 120.47 1x83 s ASN 168 Ca 0.15 2.00 -0.13 0.00 0.21 0.00 0.00 52.86 55.09 1x83 s ASN 168 Cb 0.18 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.30 1x83 s ASN 168 CO 0.67 -0.80 0.94 -1.14 -2.79 0.00 0.00 177.10 173.98 1x83 n ARG 169 N 6.38 -0.18 -0.25 0.43 0.63 -1.26 0.04 116.66 122.45 1x83 n ARG 169 Ca 0.15 0.93 -0.07 0.00 -0.92 0.00 0.00 57.85 57.94 1x83 n ARG 169 Cb 0.44 -1.38 0.05 0.00 0.45 0.00 0.00 32.46 32.02 1x83 n ARG 169 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1x83 h GLU 170 N 0.00 1.07 -0.27 -0.14 3.07 -1.93 -1.75 114.58 114.63 1x83 h GLU 170 Ca 0.07 -0.22 -0.17 0.00 -0.50 0.00 0.00 59.36 58.53 1x83 h GLU 170 Cb 0.17 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1x83 h GLU 170 CO -0.39 0.91 -0.53 0.00 -1.40 0.00 0.00 179.01 177.60 1x83 h ALA 171 N 1.11 0.56 0.00 3.43 0.00 -1.33 -0.05 119.26 122.98 1x83 h ALA 171 Ca 0.23 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1x83 h ALA 171 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1x83 h ALA 171 CO -0.01 0.68 -0.48 -0.09 0.00 0.00 0.00 179.25 179.35 1x83 h ARG 172 N 0.60 0.00 -0.28 0.00 2.43 -0.25 0.56 114.38 117.45 1x83 h ARG 172 Ca 0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1x83 h ARG 172 Cb 1.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1x83 h ARG 172 CO 0.11 0.48 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.79 1x83 h LYS 173 N 0.00 0.52 -0.13 0.20 3.11 -1.06 -2.13 116.57 117.08 1x83 h LYS 173 Ca -0.00 -0.19 -0.15 0.00 -2.81 0.00 0.00 60.65 57.49 1x83 h LYS 173 Cb 0.93 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 1x83 h LYS 173 CO 0.06 0.71 -0.58 0.00 -2.81 0.00 0.00 179.45 176.83 1x83 h ARG 174 N 0.29 0.41 -0.59 1.90 3.08 -0.68 -2.90 114.38 115.88 1x83 h ARG 174 Ca 0.07 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 1x83 h ARG 174 Cb 0.50 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1x83 h ARG 174 CO 0.02 0.87 0.14 -0.07 -1.07 0.00 0.00 179.97 179.86 1x83 h LEU 175 N 0.31 0.86 0.00 3.04 3.38 -0.87 -2.98 115.31 119.05 1x83 h LEU 175 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1x83 h LEU 175 Cb 1.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1x83 h LEU 175 CO 0.10 0.84 0.00 -1.20 0.09 0.00 0.00 178.44 178.27 1x83 n SER 176 N -4.26 0.00 -0.07 -0.43 7.64 -0.81 -2.36 113.62 113.34 1x83 n SER 176 Ca 0.04 -0.30 -0.12 0.00 1.01 0.00 0.00 58.87 59.51 1x83 n SER 176 Cb 0.24 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 1x83 n SER 176 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x83 n ALA 177 N -0.91 1.42 0.81 -0.43 0.00 -1.13 -4.36 120.51 115.92 1x83 n ALA 177 Ca 0.05 -1.04 0.07 0.00 0.00 0.00 0.00 53.44 52.51 1x83 n ALA 177 Cb 0.02 -0.43 0.39 0.00 0.00 0.00 0.00 19.45 19.42 1x83 n ALA 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1x83 n PHE 178 N -3.00 0.00 1.13 0.00 3.01 -0.99 -5.16 117.46 112.45 1x83 n PHE 178 Ca -0.30 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.29 1x83 n PHE 178 Cb 1.09 -0.02 0.21 0.00 -0.01 0.00 0.00 39.48 40.75 1x83 n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02