#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppv s HIS 5 N 0.00 1.88 0.21 4.31 -3.43 -1.26 -1.57 115.29 115.43 1ppv s HIS 5 Ca 0.00 -1.11 0.10 0.00 -0.80 0.00 0.00 55.06 53.25 1ppv s HIS 5 Cb 0.00 -1.27 -0.04 0.00 -1.43 0.00 0.00 32.58 29.84 1ppv s HIS 5 CO 0.00 -0.11 -0.14 0.14 -2.00 0.00 0.00 174.74 172.63 1ppv s VAL 6 N -3.20 2.88 -0.35 -5.38 -7.23 -0.38 -4.66 120.40 102.08 1ppv s VAL 6 Ca 0.27 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.40 1ppv s VAL 6 Cb 0.05 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1ppv s VAL 6 CO 0.14 -0.20 0.21 -0.63 -0.31 0.00 0.00 175.10 174.31 1ppv s ILE 7 N -1.91 4.89 0.24 -0.62 1.01 -1.26 -1.94 121.20 121.60 1ppv s ILE 7 Ca 0.25 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 1ppv s ILE 7 Cb -0.08 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 1ppv s ILE 7 CO 0.14 -0.07 1.35 -0.76 0.00 0.00 0.00 174.94 175.60 1ppv s LEU 8 N 1.64 4.41 -0.00 2.97 1.43 -0.21 -1.51 118.68 127.41 1ppv s LEU 8 Ca 0.05 2.54 0.07 0.00 -1.03 0.00 0.00 54.13 55.75 1ppv s LEU 8 Cb -0.18 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1ppv s LEU 8 CO 0.08 -0.58 -0.20 -0.76 0.23 0.00 0.00 176.35 175.12 1ppv s LEU 9 N -0.55 2.42 0.00 1.79 1.43 -0.84 -0.94 118.68 122.00 1ppv s LEU 9 Ca 0.56 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1ppv s LEU 9 Cb -0.39 -1.45 0.08 0.00 0.03 0.00 0.00 46.19 44.47 1ppv s LEU 9 CO 0.43 0.30 0.51 -0.46 0.23 0.00 0.00 176.35 177.36 1ppv n ASN 10 N 2.07 0.12 -0.28 2.29 2.04 -0.47 -4.71 115.26 116.33 1ppv n ASN 10 Ca -0.16 -1.23 0.05 0.00 -0.44 0.00 0.00 54.58 52.79 1ppv n ASN 10 Cb 0.52 -0.38 0.19 0.00 -2.53 0.00 0.00 39.78 37.57 1ppv n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ppv h ALA 11 N -1.69 1.15 -2.45 -2.53 0.00 -2.00 -3.38 119.26 108.35 1ppv h ALA 11 Ca -0.17 0.07 -0.46 0.00 0.00 0.00 0.00 54.91 54.35 1ppv h ALA 11 Cb 0.48 -0.03 0.12 0.00 0.00 0.00 0.00 17.79 18.36 1ppv h ALA 11 CO 0.12 -0.07 0.41 -1.14 0.00 0.00 0.00 179.25 178.58 1ppv s GLN 12 N -6.01 1.56 -0.38 0.00 0.74 -1.26 -4.91 119.66 109.41 1ppv s GLN 12 Ca -0.12 -0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.23 1ppv s GLN 12 Cb 0.20 -1.92 0.15 0.00 1.10 0.00 0.00 33.01 32.55 1ppv s GLN 12 CO 0.77 -1.85 2.35 0.41 -0.55 0.00 0.00 175.29 176.43 1ppv n GLY 13 N -3.41 4.25 3.68 2.59 0.00 -1.26 -4.88 105.19 106.16 1ppv n GLY 13 Ca 0.10 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 1ppv n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppv s VAL 14 N -2.31 5.01 0.20 1.61 1.01 -1.26 -4.78 120.40 119.88 1ppv s VAL 14 Ca 0.44 1.31 -0.32 0.00 0.00 0.00 0.00 61.98 63.41 1ppv s VAL 14 Cb 0.31 -3.99 -0.14 0.00 0.00 0.00 0.00 36.38 32.56 1ppv s VAL 14 CO -0.09 0.14 1.41 -2.65 0.00 0.00 0.00 175.10 173.91 1ppv n PRO 15 N 4.72 1.88 0.00 2.72 -0.02 -1.26 -1.37 135.00 141.67 1ppv n PRO 15 Ca -0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1ppv n PRO 15 Cb 0.50 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1ppv n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ppv n THR 16 N 2.26 0.00 -3.86 3.45 -2.24 -0.11 -4.90 114.28 108.89 1ppv n THR 16 Ca 0.14 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1ppv n THR 16 Cb 0.29 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1ppv n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ppv n GLY 17 N 0.23 -1.33 3.20 3.38 0.00 -1.25 -5.01 105.19 104.40 1ppv n GLY 17 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1ppv n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ppv s THR 18 N -3.00 0.09 0.03 2.61 -4.23 -1.26 -1.04 115.64 108.83 1ppv s THR 18 Ca 0.00 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1ppv s THR 18 Cb 0.00 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 1ppv s THR 18 CO 0.00 -0.42 -0.02 -0.76 -0.54 0.00 0.00 174.62 172.88 1ppv s LEU 19 N -3.03 2.24 0.50 4.79 1.43 -0.82 -4.91 118.68 118.87 1ppv s LEU 19 Ca 0.22 -0.59 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1ppv s LEU 19 Cb 0.06 0.17 -0.06 0.00 0.03 0.00 0.00 46.19 46.39 1ppv s LEU 19 CO 0.01 -0.37 1.25 -0.70 0.23 0.00 0.00 176.35 176.77 1ppv s GLU 20 N -1.99 3.50 0.11 1.70 -6.30 -1.26 -1.25 118.70 113.21 1ppv s GLU 20 Ca -0.11 1.97 -0.18 0.00 -2.50 0.00 0.00 54.97 54.15 1ppv s GLU 20 Cb -0.06 -2.34 -0.05 0.00 0.00 0.00 0.00 34.13 31.67 1ppv s GLU 20 CO -0.03 -0.82 1.65 -0.22 0.02 0.00 0.00 175.26 175.86 1ppv h LYS 21 N 1.80 0.42 -0.31 4.30 3.64 -1.56 -2.00 116.57 122.86 1ppv h LYS 21 Ca -0.50 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.77 1ppv h LYS 21 Cb 1.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1ppv h LYS 21 CO 0.59 0.44 0.06 -0.92 -2.27 0.00 0.00 179.45 177.36 1ppv h TYR 22 N 0.31 0.54 0.00 1.91 3.20 -1.91 -2.60 116.97 118.42 1ppv h TYR 22 Ca 0.09 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1ppv h TYR 22 Cb 0.18 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1ppv h TYR 22 CO -0.01 0.58 0.00 0.00 -1.64 0.00 0.00 178.16 177.09 1ppv n ALA 23 N -2.33 1.35 0.18 1.82 0.00 -1.07 -2.60 120.51 117.86 1ppv n ALA 23 Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1ppv n ALA 23 Cb 0.20 -1.28 0.11 0.00 0.00 0.00 0.00 19.45 18.48 1ppv n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppv h ALA 24 N 2.17 0.82 -2.86 0.00 0.00 -0.95 -3.43 119.26 115.02 1ppv h ALA 24 Ca 0.00 -0.26 -0.71 0.00 0.00 0.00 0.00 54.91 53.94 1ppv h ALA 24 Cb 0.17 -0.05 -0.26 0.00 0.00 0.00 0.00 17.79 17.66 1ppv h ALA 24 CO 0.00 0.35 -0.52 -1.01 0.00 0.00 0.00 179.25 178.07 1ppv s HIS 25 N -3.09 3.26 0.00 0.00 4.02 -1.07 -4.35 115.29 114.06 1ppv s HIS 25 Ca 0.05 -1.15 0.00 0.00 1.02 0.00 0.00 55.06 54.98 1ppv s HIS 25 Cb 0.07 -2.50 0.00 0.00 -1.02 0.00 0.00 32.58 29.12 1ppv s HIS 25 CO 0.71 -0.70 0.00 0.25 1.02 0.00 0.00 174.74 176.02 1ppv n THR 26 N 4.95 0.00 0.47 1.30 -2.24 -1.26 -4.91 114.28 112.59 1ppv n THR 26 Ca -0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1ppv n THR 26 Cb 0.45 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.09 1ppv n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ppv n ALA 27 N -3.00 1.70 -2.04 6.98 0.00 -1.26 -0.78 120.51 122.12 1ppv n ALA 27 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 1ppv n ALA 27 Cb 0.00 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.22 1ppv n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ppv n ASP 28 N -1.89 2.68 -4.67 0.00 8.00 -1.26 -4.64 116.55 114.77 1ppv n ASP 28 Ca 0.03 -3.33 -0.46 0.00 0.71 0.00 0.00 54.79 51.75 1ppv n ASP 28 Cb 0.21 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 1ppv n ASP 28 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ppv n THR 29 N -0.67 0.49 -3.07 -3.53 -1.04 -1.22 -4.97 114.28 100.27 1ppv n THR 29 Ca 0.24 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.84 1ppv n THR 29 Cb 0.87 -1.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.87 1ppv n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ppv s ARG 30 N 0.21 3.66 0.23 -2.82 0.52 -1.26 -4.72 118.95 114.77 1ppv s ARG 30 Ca 0.73 0.18 -0.31 0.00 -0.52 0.00 0.00 55.73 55.81 1ppv s ARG 30 Cb -0.67 -2.52 -0.12 0.00 0.52 0.00 0.00 34.95 32.16 1ppv s ARG 30 CO 0.44 0.06 1.66 -1.17 0.02 0.00 0.00 175.30 176.32 1ppv s LEU 31 N -3.86 4.36 0.28 2.53 2.96 -1.26 -4.71 118.68 118.98 1ppv s LEU 31 Ca 0.47 2.87 -0.11 0.00 -0.22 0.00 0.00 54.13 57.14 1ppv s LEU 31 Cb -0.10 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1ppv s LEU 31 CO 0.33 -0.94 0.51 -1.38 -1.32 0.00 0.00 176.35 173.56 1ppv s HIS 32 N 0.77 0.49 0.12 5.38 -3.43 -0.79 -1.99 115.29 115.83 1ppv s HIS 32 Ca 0.70 -0.85 -0.21 0.00 -0.80 0.00 0.00 55.06 53.90 1ppv s HIS 32 Cb -0.48 0.20 -0.07 0.00 -1.43 0.00 0.00 32.58 30.80 1ppv s HIS 32 CO 0.37 -1.09 0.64 -1.17 -2.00 0.00 0.00 174.74 171.50 1ppv s LEU 33 N -3.07 4.52 0.31 5.38 2.96 -0.57 -1.82 118.68 126.39 1ppv s LEU 33 Ca 0.23 1.38 -0.06 0.00 -0.22 0.00 0.00 54.13 55.46 1ppv s LEU 33 Cb -0.01 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.58 1ppv s LEU 33 CO 0.12 0.22 0.47 0.00 -1.32 0.00 0.00 176.35 175.84 1ppv s ALA 34 N -1.18 0.40 0.11 5.97 0.00 -0.12 -4.32 121.76 122.62 1ppv s ALA 34 Ca 0.33 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1ppv s ALA 34 Cb -0.20 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1ppv s ALA 34 CO 0.21 -0.81 -0.04 -0.59 0.00 0.00 0.00 175.76 174.53 1ppv s PHE 35 N -3.38 0.92 0.05 0.00 -0.12 0.59 -3.63 117.98 112.41 1ppv s PHE 35 Ca 0.28 -0.96 0.05 0.00 -0.05 0.00 0.00 56.93 56.25 1ppv s PHE 35 Cb -0.00 -0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 1ppv s PHE 35 CO 0.16 -0.20 -0.15 0.45 -0.05 0.00 0.00 175.22 175.43 1ppv s SER 36 N -3.06 1.78 0.03 1.98 0.15 -0.75 -1.87 113.70 111.96 1ppv s SER 36 Ca 0.14 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.30 1ppv s SER 36 Cb 0.06 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1ppv s SER 36 CO -0.03 0.03 -0.05 -0.55 1.20 0.00 0.00 173.24 173.84 1ppv s SER 37 N -1.28 0.49 -0.18 5.45 0.15 0.11 -0.75 113.70 117.68 1ppv s SER 37 Ca 0.02 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1ppv s SER 37 Cb -0.08 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1ppv s SER 37 CO 0.02 -0.29 -0.17 0.26 1.20 0.00 0.00 173.24 174.26 1ppv s TRP 38 N -1.62 2.80 -0.09 3.44 0.52 -0.20 -2.53 118.94 121.26 1ppv s TRP 38 Ca -0.12 -1.42 -0.01 0.00 0.02 0.00 0.00 56.10 54.57 1ppv s TRP 38 Cb -0.09 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 1ppv s TRP 38 CO -0.01 -0.71 -0.05 -0.51 0.02 0.00 0.00 176.95 175.70 1ppv s LEU 39 N 1.23 3.28 0.05 2.99 1.43 -1.26 -1.90 118.68 124.49 1ppv s LEU 39 Ca 0.03 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1ppv s LEU 39 Cb -0.14 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1ppv s LEU 39 CO -0.09 0.33 -0.21 -0.36 0.23 0.00 0.00 176.35 176.25 1ppv s PHE 40 N -0.58 1.82 0.56 0.29 0.40 -0.67 -1.32 117.98 118.49 1ppv s PHE 40 Ca 0.09 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1ppv s PHE 40 Cb -0.12 -1.07 0.12 0.00 0.51 0.00 0.00 43.02 42.46 1ppv s PHE 40 CO 0.02 0.11 0.77 0.27 0.70 0.00 0.00 175.22 177.09 1ppv n ASN 41 N 1.72 0.86 0.22 1.36 0.23 0.28 -1.42 115.26 118.51 1ppv n ASN 41 Ca -0.18 -1.77 0.17 0.00 -0.53 0.00 0.00 54.58 52.27 1ppv n ASN 41 Cb 0.53 -0.52 0.83 0.00 -2.08 0.00 0.00 39.78 38.55 1ppv n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ppv h ALA 42 N -0.76 1.79 0.00 -2.53 0.00 -1.91 0.11 119.26 115.96 1ppv h ALA 42 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ppv h ALA 42 Cb 0.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ppv h ALA 42 CO 0.26 -0.25 -0.05 1.63 0.00 0.00 0.00 179.25 180.84 1ppv n LYS 43 N -3.86 0.05 -0.45 0.00 4.76 -1.26 -4.92 118.16 112.48 1ppv n LYS 43 Ca 0.01 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1ppv n LYS 43 Cb 0.28 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1ppv n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ppv n GLY 44 N 1.46 0.76 3.78 0.72 0.00 0.37 -5.01 105.19 107.27 1ppv n GLY 44 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1ppv n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ppv s GLN 45 N -0.55 4.38 -0.03 1.61 -0.21 -1.26 -4.55 119.66 119.05 1ppv s GLN 45 Ca 0.00 1.49 -0.21 0.00 0.02 0.00 0.00 55.36 56.66 1ppv s GLN 45 Cb 0.00 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 1ppv s GLN 45 CO 0.00 0.06 0.60 -1.17 -2.12 0.00 0.00 175.29 172.66 1ppv s LEU 46 N -2.26 4.38 -0.31 2.90 2.96 0.46 -0.56 118.68 126.25 1ppv s LEU 46 Ca 0.53 1.13 -0.21 0.00 -0.22 0.00 0.00 54.13 55.36 1ppv s LEU 46 Cb -0.22 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 1ppv s LEU 46 CO 0.28 0.05 0.65 -0.22 -1.32 0.00 0.00 176.35 175.79 1ppv s LEU 47 N 0.10 4.15 -0.08 -0.68 2.96 -0.43 -0.97 118.68 123.73 1ppv s LEU 47 Ca 0.32 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1ppv s LEU 47 Cb -0.18 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1ppv s LEU 47 CO 0.17 -0.52 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.97 1ppv s VAL 48 N 2.68 4.13 0.24 1.68 1.01 0.04 -3.39 120.40 126.79 1ppv s VAL 48 Ca 0.26 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.02 1ppv s VAL 48 Cb -0.15 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1ppv s VAL 48 CO 0.12 0.60 -0.18 0.42 0.00 0.00 0.00 175.10 176.06 1ppv s THR 49 N -0.87 2.17 -0.22 3.92 -4.23 -0.80 -1.13 115.64 114.49 1ppv s THR 49 Ca 0.13 -2.28 -0.04 0.00 -1.18 0.00 0.00 61.69 58.33 1ppv s THR 49 Cb -0.11 -2.16 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1ppv s THR 49 CO 0.02 -0.44 -0.05 -0.60 -0.54 0.00 0.00 174.62 173.02 1ppv s ARG 50 N -3.44 3.38 0.35 3.99 3.52 0.17 -0.08 118.95 126.83 1ppv s ARG 50 Ca 0.26 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 54.95 1ppv s ARG 50 Cb -0.04 -3.00 -0.11 0.00 -1.56 0.00 0.00 34.95 30.24 1ppv s ARG 50 CO 0.11 -0.19 1.45 1.03 -0.81 0.00 0.00 175.30 176.89 1ppv s ARG 51 N 1.45 4.19 0.73 5.12 0.52 -0.19 -1.18 118.95 129.57 1ppv s ARG 51 Ca 0.05 2.46 -0.16 0.00 -0.52 0.00 0.00 55.73 57.57 1ppv s ARG 51 Cb -0.14 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.32 1ppv s ARG 51 CO -0.03 -0.44 0.94 0.00 0.02 0.00 0.00 175.30 175.79 1ppv n ALA 52 N 0.86 -0.34 0.34 2.13 0.00 -0.31 -0.67 120.51 122.53 1ppv n ALA 52 Ca 0.02 -0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1ppv n ALA 52 Cb 0.40 -2.10 0.49 0.00 0.00 0.00 0.00 19.45 18.24 1ppv n ALA 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ppv n LEU 53 N -1.65 0.60 -0.05 0.00 4.77 -1.26 -2.27 117.00 117.15 1ppv n LEU 53 Ca 0.13 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.92 1ppv n LEU 53 Cb 0.49 -0.63 0.46 0.00 -2.33 0.00 0.00 43.42 41.42 1ppv n LEU 53 CO 0.49 -0.63 0.73 -1.54 -1.33 0.00 0.00 177.39 175.10 1ppv n SER 54 N -2.19 0.38 -4.77 -1.43 3.41 -1.26 -4.79 113.62 102.97 1ppv n SER 54 Ca 0.01 -0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 58.05 1ppv n SER 54 Cb 0.18 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1ppv n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ppv s LYS 55 N -2.83 4.20 0.33 4.33 -0.14 -0.96 -4.89 119.74 119.78 1ppv s LYS 55 Ca 0.17 2.43 0.09 0.00 -1.36 0.00 0.00 55.97 57.31 1ppv s LYS 55 Cb 0.19 -3.03 0.57 0.00 -1.68 0.00 0.00 37.83 33.88 1ppv s LYS 55 CO 0.58 -0.44 1.76 -0.22 -0.76 0.00 0.00 175.35 176.27 1ppv h LYS 56 N 3.76 0.14 -5.89 1.68 3.64 -1.91 -3.34 116.57 114.65 1ppv h LYS 56 Ca -0.49 -0.06 -0.66 0.00 -1.27 0.00 0.00 60.65 58.17 1ppv h LYS 56 Cb 1.23 -0.01 -0.31 0.00 -0.41 0.00 0.00 32.23 32.73 1ppv h LYS 56 CO 0.69 0.51 -0.87 0.00 -2.27 0.00 0.00 179.45 177.50 1ppv s ALA 57 N -4.19 2.02 -1.40 5.00 0.00 -1.26 -4.71 121.76 117.21 1ppv s ALA 57 Ca -0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1ppv s ALA 57 Cb 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1ppv s ALA 57 CO 0.75 0.39 0.37 0.91 0.00 0.00 0.00 175.76 178.18 1ppv n TRP 58 N 2.96 -1.54 -1.88 0.00 8.01 -1.26 -4.93 117.44 118.79 1ppv n TRP 58 Ca -0.17 0.62 -0.38 0.00 -1.31 0.00 0.00 57.50 56.25 1ppv n TRP 58 Cb 0.52 -3.37 0.03 0.00 -2.01 0.00 0.00 31.31 26.48 1ppv n TRP 58 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1ppv s PRO 59 N -6.80 3.40 -0.93 -0.99 0.04 -1.25 -2.96 135.00 125.50 1ppv s PRO 59 Ca 0.10 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1ppv s PRO 59 Cb -0.04 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1ppv s PRO 59 CO 0.92 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1ppv n GLY 60 N 0.65 1.02 3.77 0.56 0.00 0.16 -4.92 105.19 106.43 1ppv n GLY 60 Ca 0.08 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1ppv n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppv s VAL 61 N -2.19 4.91 0.14 1.61 1.01 -1.16 -4.74 120.40 119.98 1ppv s VAL 61 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1ppv s VAL 61 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 1ppv s VAL 61 CO 0.00 0.60 1.13 0.26 0.00 0.00 0.00 175.10 177.09 1ppv s TRP 62 N -0.85 3.54 0.32 5.22 0.52 -1.26 -1.03 118.94 125.40 1ppv s TRP 62 Ca 0.13 1.50 -0.07 0.00 0.02 0.00 0.00 56.10 57.69 1ppv s TRP 62 Cb -0.12 -3.32 0.03 0.00 -1.15 0.00 0.00 33.47 28.91 1ppv s TRP 62 CO 0.03 -0.82 0.55 -2.37 0.02 0.00 0.00 176.95 174.35 1ppv n THR 63 N 2.90 0.00 -0.72 2.01 5.66 0.88 -1.07 114.28 123.94 1ppv n THR 63 Ca 0.05 -1.21 -0.05 0.00 -3.05 0.00 0.00 64.05 59.78 1ppv n THR 63 Cb 0.46 0.91 0.04 0.00 -1.55 0.00 0.00 70.33 70.19 1ppv n THR 63 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ppv n ASN 64 N -1.57 -0.94 -0.03 1.09 0.23 -1.26 -1.90 115.26 110.88 1ppv n ASN 64 Ca -0.03 -0.71 -0.12 0.00 -0.53 0.00 0.00 54.58 53.18 1ppv n ASN 64 Cb 0.51 -0.18 -0.07 0.00 -2.08 0.00 0.00 39.78 37.96 1ppv n ASN 64 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1ppv h SER 65 N -1.09 0.16 -3.54 0.53 0.02 -1.50 -3.34 113.55 104.79 1ppv h SER 65 Ca -0.07 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1ppv h SER 65 Cb 0.22 -0.04 -0.23 0.00 0.14 0.00 0.00 62.40 62.49 1ppv h SER 65 CO 0.05 0.43 -0.06 0.54 -1.14 0.00 0.00 176.83 176.65 1ppv s VAL 66 N -4.95 -0.00 0.10 2.27 0.11 -1.06 -4.71 120.40 112.16 1ppv s VAL 66 Ca -0.14 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 58.98 1ppv s VAL 66 Cb 0.05 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1ppv s VAL 66 CO 0.70 0.01 -0.15 0.00 -3.33 0.00 0.00 175.10 172.33 1ppv n GLY 68 N 0.88 0.84 2.83 0.00 0.00 -0.78 -4.99 105.19 103.98 1ppv n GLY 68 Ca -0.18 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1ppv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppv s HIS 69 N -4.00 2.04 0.59 1.61 3.76 -1.26 -0.30 115.29 117.72 1ppv s HIS 69 Ca 0.03 -1.73 -0.20 0.00 -0.15 0.00 0.00 55.06 53.00 1ppv s HIS 69 Cb -0.00 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 1ppv s HIS 69 CO 0.00 -0.81 1.35 -2.14 -0.85 0.00 0.00 174.74 172.29 1ppv s PRO 70 N 1.51 2.90 0.47 8.40 0.02 -1.26 -4.97 135.00 142.06 1ppv s PRO 70 Ca 0.03 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.27 1ppv s PRO 70 Cb -0.18 -2.10 0.01 0.00 0.02 0.00 0.00 34.50 32.25 1ppv s PRO 70 CO -0.14 -1.37 0.67 -0.65 -0.33 0.00 0.00 177.00 175.18 1ppv s GLN 71 N -3.09 2.86 -0.07 5.54 -1.52 -1.26 -4.52 119.66 117.60 1ppv s GLN 71 Ca 0.76 -0.73 -0.37 0.00 -1.95 0.00 0.00 55.36 53.07 1ppv s GLN 71 Cb -0.40 -2.58 -0.15 0.00 -0.22 0.00 0.00 33.01 29.65 1ppv s GLN 71 CO 0.46 -0.39 1.61 1.28 -0.25 0.00 0.00 175.29 178.00 1ppv n LEU 72 N -2.10 2.39 0.00 2.90 4.32 -1.26 -1.48 117.00 121.77 1ppv n LEU 72 Ca 0.04 1.07 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 1ppv n LEU 72 Cb 0.59 -1.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 1ppv n LEU 72 CO 0.45 -0.56 0.00 0.61 -1.22 0.00 0.00 177.39 176.67 1ppv n GLY 73 N 3.57 1.60 3.81 -0.72 0.00 -1.26 -5.02 105.19 107.17 1ppv n GLY 73 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1ppv n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ppv s GLU 74 N -0.39 3.91 0.56 1.61 2.12 -0.55 -5.08 118.70 120.88 1ppv s GLU 74 Ca 0.00 0.13 -0.18 0.00 0.36 0.00 0.00 54.97 55.28 1ppv s GLU 74 Cb 0.00 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1ppv s GLU 74 CO 0.00 0.55 1.10 -1.54 -0.54 0.00 0.00 175.26 174.83 1ppv s SER 75 N -0.48 5.73 0.26 -1.70 1.04 -1.26 -4.71 113.70 112.58 1ppv s SER 75 Ca 0.18 2.05 -0.02 0.00 0.48 0.00 0.00 55.95 58.64 1ppv s SER 75 Cb -0.14 -2.57 0.47 0.00 0.10 0.00 0.00 66.02 63.88 1ppv s SER 75 CO 0.07 -1.21 1.81 0.78 0.98 0.00 0.00 173.24 175.67 1ppv h ASN 76 N 0.95 0.73 -0.61 7.02 -0.26 -1.98 -0.79 115.58 120.65 1ppv h ASN 76 Ca -0.49 0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.23 1ppv h ASN 76 Cb 1.25 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.40 1ppv h ASN 76 CO 0.57 0.40 0.09 -0.33 -1.06 0.00 0.00 177.43 177.09 1ppv h GLU 77 N 0.83 1.02 -0.05 0.81 3.07 -1.95 -1.13 114.58 117.18 1ppv h GLU 77 Ca 0.44 -0.28 -0.08 0.00 -0.50 0.00 0.00 59.36 58.93 1ppv h GLU 77 Cb 0.45 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1ppv h GLU 77 CO -0.27 0.96 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.51 1ppv h ASP 78 N 0.93 0.11 -0.50 1.42 3.32 -1.71 -1.40 116.42 118.58 1ppv h ASP 78 Ca 0.18 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1ppv h ASP 78 Cb 0.44 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ppv h ASP 78 CO 0.01 0.46 -0.15 0.00 -1.72 0.00 0.00 179.24 177.84 1ppv h ALA 79 N 1.55 0.69 -0.11 3.45 0.00 -0.63 -0.52 119.26 123.69 1ppv h ALA 79 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1ppv h ALA 79 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ppv h ALA 79 CO 0.05 0.63 0.02 0.28 0.00 0.00 0.00 179.25 180.23 1ppv h VAL 80 N 0.85 0.95 -0.99 0.00 2.07 -0.92 -0.18 116.25 118.02 1ppv h VAL 80 Ca 0.12 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1ppv h VAL 80 Cb 0.72 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1ppv h VAL 80 CO 0.06 0.01 0.65 0.40 0.02 0.00 0.00 177.57 178.71 1ppv h ILE 81 N 0.07 1.18 0.07 4.57 2.04 -1.07 -0.12 117.51 124.25 1ppv h ILE 81 Ca 0.05 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1ppv h ILE 81 Cb 0.04 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 35.92 1ppv h ILE 81 CO -0.07 0.23 -0.03 -0.09 0.00 0.00 0.00 178.15 178.19 1ppv h ARG 82 N 1.27 -0.09 0.00 2.37 2.43 -0.65 -2.36 114.38 117.34 1ppv h ARG 82 Ca 0.39 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.46 1ppv h ARG 82 Cb -0.01 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1ppv h ARG 82 CO -0.12 0.03 -0.53 0.00 -1.51 0.00 0.00 179.97 177.84 1ppv h ARG 83 N -0.19 0.00 -0.78 0.20 2.47 -0.76 0.11 114.38 115.43 1ppv h ARG 83 Ca -0.01 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1ppv h ARG 83 Cb 0.16 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.44 1ppv h ARG 83 CO 0.02 0.53 0.52 0.00 0.56 0.00 0.00 179.97 181.59 1ppv h ARG 85 N 1.05 0.68 -0.14 0.00 3.08 -1.07 -1.77 114.38 116.22 1ppv h ARG 85 Ca 0.29 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 1ppv h ARG 85 Cb -0.11 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1ppv h ARG 85 CO -0.07 0.79 -0.36 -0.92 -1.07 0.00 0.00 179.97 178.34 1ppv h TYR 86 N 0.50 0.63 0.08 3.04 3.20 -0.71 -1.76 116.97 121.95 1ppv h TYR 86 Ca 0.11 -0.24 -0.32 0.00 3.14 0.00 0.00 58.73 61.42 1ppv h TYR 86 Cb 0.49 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1ppv h TYR 86 CO 0.04 0.98 -1.71 0.93 -1.64 0.00 0.00 178.16 176.76 1ppv h GLU 87 N 0.10 0.18 0.00 1.82 5.08 -0.99 -3.42 114.58 117.35 1ppv h GLU 87 Ca -0.01 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1ppv h GLU 87 Cb 0.97 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ppv h GLU 87 CO 0.08 0.96 0.00 1.28 -1.00 0.00 0.00 179.01 180.33 1ppv n LEU 88 N -3.34 0.84 -2.86 1.33 4.77 -0.79 -1.43 117.00 115.52 1ppv n LEU 88 Ca -0.21 -0.88 -0.18 0.00 -0.03 0.00 0.00 56.01 54.72 1ppv n LEU 88 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1ppv n LEU 88 CO 0.47 0.21 -0.09 0.61 -1.33 0.00 0.00 177.39 177.25 1ppv n GLY 89 N 0.07 -0.50 3.33 -0.72 0.00 -0.66 -0.67 105.19 106.04 1ppv n GLY 89 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1ppv n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppv s VAL 90 N -2.81 2.23 0.22 1.61 0.11 -0.95 -4.09 120.40 116.72 1ppv s VAL 90 Ca 0.19 -1.04 -0.18 0.00 -2.93 0.00 0.00 61.98 58.02 1ppv s VAL 90 Cb -0.10 -1.79 -0.08 0.00 -1.53 0.00 0.00 36.38 32.88 1ppv s VAL 90 CO 0.23 0.58 0.70 -1.61 -3.33 0.00 0.00 175.10 171.67 1ppv s GLU 91 N -0.57 4.18 0.14 1.54 0.41 -1.26 -3.57 118.70 119.57 1ppv s GLU 91 Ca 0.08 0.78 -0.01 0.00 -0.41 0.00 0.00 54.97 55.42 1ppv s GLU 91 Cb -0.11 -2.83 -0.04 0.00 -1.78 0.00 0.00 34.13 29.37 1ppv s GLU 91 CO -0.00 0.38 0.06 0.96 -0.49 0.00 0.00 175.26 176.16 1ppv s ILE 92 N -1.57 0.17 0.72 -1.63 -4.36 -1.26 -0.43 121.20 112.83 1ppv s ILE 92 Ca 0.44 -1.93 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 1ppv s ILE 92 Cb -0.16 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 41.47 1ppv s ILE 92 CO 0.20 -0.41 1.08 0.42 0.24 0.00 0.00 174.94 176.47 1ppv s THR 93 N -4.01 3.67 0.01 8.37 -4.23 -0.12 -4.83 115.64 114.51 1ppv s THR 93 Ca 0.26 0.54 -0.33 0.00 -1.18 0.00 0.00 61.69 60.98 1ppv s THR 93 Cb 0.07 -3.39 -0.12 0.00 1.34 0.00 0.00 72.50 70.40 1ppv s THR 93 CO 0.03 -0.71 1.82 -2.65 -0.54 0.00 0.00 174.62 172.58 1ppv n PRO 94 N -3.14 2.34 -1.72 3.99 -0.02 -1.26 -4.63 135.00 130.56 1ppv n PRO 94 Ca 0.07 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 1ppv n PRO 94 Cb 0.55 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 1ppv n PRO 94 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ppv n PRO 95 N 5.94 2.33 -4.67 0.52 -0.02 -1.26 -4.87 135.00 132.96 1ppv n PRO 95 Ca 0.20 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 62.17 1ppv n PRO 95 Cb 0.32 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 1ppv n PRO 95 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1ppv s GLU 96 N -1.76 2.80 0.10 -0.52 2.12 -0.10 -4.92 118.70 116.42 1ppv s GLU 96 Ca 0.56 -0.58 -0.31 0.00 0.36 0.00 0.00 54.97 55.00 1ppv s GLU 96 Cb -0.54 -2.57 -0.07 0.00 0.26 0.00 0.00 34.13 31.21 1ppv s GLU 96 CO 0.61 0.60 1.26 0.45 -0.54 0.00 0.00 175.26 177.64 1ppv s SER 97 N -0.63 7.00 0.00 -1.70 0.15 -1.26 -0.69 113.70 116.56 1ppv s SER 97 Ca 0.09 2.15 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1ppv s SER 97 Cb -0.11 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1ppv s SER 97 CO 0.02 -0.51 0.00 2.30 1.20 0.00 0.00 173.24 176.24 1ppv n ILE 98 N 3.68 0.00 -2.83 6.45 -6.64 -0.44 -4.89 119.36 114.69 1ppv n ILE 98 Ca 0.09 -0.11 -0.08 0.00 -1.77 0.00 0.00 62.75 60.88 1ppv n ILE 98 Cb 0.45 0.57 0.00 0.00 -1.44 0.00 0.00 39.64 39.22 1ppv n ILE 98 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ppv n TYR 99 N -1.09 -3.38 0.25 4.28 4.19 -1.16 -4.11 117.16 116.14 1ppv n TYR 99 Ca 0.00 -1.68 0.13 0.00 3.31 0.00 0.00 57.90 59.66 1ppv n TYR 99 Cb 0.00 1.34 0.62 0.00 0.49 0.00 0.00 39.34 41.79 1ppv n TYR 99 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1ppv h PRO 100 N 4.84 0.00 -0.47 2.98 0.13 -1.92 -1.46 132.00 136.11 1ppv h PRO 100 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1ppv h PRO 100 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ppv h PRO 100 CO 0.12 0.13 0.00 -0.40 -0.23 0.00 0.00 178.00 177.62 1ppv n ASP 101 N -3.36 3.71 -4.76 1.44 5.75 -1.26 -4.35 116.55 113.73 1ppv n ASP 101 Ca -0.00 -2.29 -0.41 0.00 -0.01 0.00 0.00 54.79 52.07 1ppv n ASP 101 Cb 0.33 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 1ppv n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ppv s PHE 102 N -1.53 2.77 -0.13 2.11 5.36 -1.20 -4.90 117.98 120.46 1ppv s PHE 102 Ca 0.37 0.93 -0.15 0.00 -0.96 0.00 0.00 56.93 57.12 1ppv s PHE 102 Cb 0.23 -4.01 0.04 0.00 -0.34 0.00 0.00 43.02 38.94 1ppv s PHE 102 CO 0.19 -3.26 0.40 0.50 -1.46 0.00 0.00 175.22 171.59 1ppv s ARG 103 N -0.87 0.52 0.18 10.12 3.52 -1.26 -0.77 118.95 130.39 1ppv s ARG 103 Ca 0.60 0.44 -0.18 0.00 -0.13 0.00 0.00 55.73 56.46 1ppv s ARG 103 Cb -0.46 0.25 0.03 0.00 -1.56 0.00 0.00 34.95 33.21 1ppv s ARG 103 CO 0.51 -0.08 0.51 1.52 -0.81 0.00 0.00 175.30 176.94 1ppv s TYR 104 N -0.06 -0.18 -0.02 5.12 -0.85 -0.27 -4.99 117.35 116.11 1ppv s TYR 104 Ca -0.02 -0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.39 1ppv s TYR 104 Cb -0.03 0.39 0.01 0.00 0.38 0.00 0.00 41.96 42.70 1ppv s TYR 104 CO 0.01 -0.87 -0.05 0.50 -1.52 0.00 0.00 175.55 173.62 1ppv s ARG 105 N -3.85 0.55 0.13 -3.49 3.52 -1.26 -1.47 118.95 113.09 1ppv s ARG 105 Ca 0.07 -0.15 -0.12 0.00 -0.13 0.00 0.00 55.73 55.40 1ppv s ARG 105 Cb -0.01 -0.57 0.01 0.00 -1.56 0.00 0.00 34.95 32.83 1ppv s ARG 105 CO -0.05 0.04 0.31 0.00 -0.81 0.00 0.00 175.30 174.79 1ppv s ALA 106 N 0.27 -0.46 -0.08 6.12 0.00 -0.19 -5.00 121.76 122.42 1ppv s ALA 106 Ca -0.03 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.49 1ppv s ALA 106 Cb -0.07 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1ppv s ALA 106 CO -0.00 -0.62 -0.19 0.99 0.00 0.00 0.00 175.76 175.94 1ppv s THR 107 N -3.87 1.68 0.70 0.00 2.01 -1.26 -1.43 115.64 113.47 1ppv s THR 107 Ca 0.08 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 1ppv s THR 107 Cb 0.03 -1.47 0.08 0.00 0.01 0.00 0.00 72.50 71.15 1ppv s THR 107 CO -0.08 0.48 0.99 1.51 -0.69 0.00 0.00 174.62 176.83 1ppv s ASP 108 N 0.39 4.70 0.66 3.53 -4.77 0.54 -4.91 116.67 116.81 1ppv s ASP 108 Ca -0.15 0.26 0.42 0.00 -3.30 0.00 0.00 52.55 49.77 1ppv s ASP 108 Cb -0.16 -0.87 2.29 0.00 -1.09 0.00 0.00 42.92 43.09 1ppv s ASP 108 CO 0.06 -1.64 2.31 -0.65 0.70 0.00 0.00 175.17 175.96 1ppv h PRO 109 N -0.55 0.00 -0.12 2.11 0.11 -1.99 -0.58 132.00 130.97 1ppv h PRO 109 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ppv h PRO 109 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ppv h PRO 109 CO 0.55 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.21 1ppv n SER 110 N -3.16 2.62 0.00 -2.05 3.41 -1.26 -4.93 113.62 108.25 1ppv n SER 110 Ca -0.03 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1ppv n SER 110 Cb 0.11 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1ppv n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ppv n GLY 111 N 1.32 0.48 3.74 5.00 0.00 -0.22 -5.06 105.19 110.44 1ppv n GLY 111 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ppv n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppv s ILE 112 N -2.00 3.85 -0.02 -0.61 -1.09 -1.26 -4.10 121.20 115.97 1ppv s ILE 112 Ca 0.00 1.59 -0.00 0.00 -2.23 0.00 0.00 60.65 60.01 1ppv s ILE 112 Cb 0.00 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1ppv s ILE 112 CO 0.00 0.27 0.05 -0.69 -1.23 0.00 0.00 174.94 173.33 1ppv s VAL 113 N -0.20 4.51 -0.04 2.92 1.01 0.04 -0.34 120.40 128.30 1ppv s VAL 113 Ca 0.50 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1ppv s VAL 113 Cb -0.30 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1ppv s VAL 113 CO 0.35 0.40 -0.18 -1.61 0.00 0.00 0.00 175.10 174.05 1ppv s GLU 114 N -1.55 2.37 -0.33 2.72 0.41 -0.51 -4.40 118.70 117.41 1ppv s GLU 114 Ca 0.20 -0.78 0.01 0.00 -0.41 0.00 0.00 54.97 53.99 1ppv s GLU 114 Cb -0.12 -2.26 0.14 0.00 -1.78 0.00 0.00 34.13 30.11 1ppv s GLU 114 CO 0.11 0.60 0.30 1.21 -0.49 0.00 0.00 175.26 176.98 1ppv s ASN 115 N -0.68 1.84 -0.02 -0.19 3.84 -1.26 -1.02 114.94 117.45 1ppv s ASN 115 Ca 0.11 -1.28 -0.04 0.00 0.21 0.00 0.00 52.86 51.86 1ppv s ASN 115 Cb -0.10 0.33 0.00 0.00 -0.55 0.00 0.00 41.25 40.93 1ppv s ASN 115 CO 0.00 -0.34 0.08 -1.61 -2.79 0.00 0.00 177.10 172.44 1ppv s GLU 116 N 1.85 0.24 -0.24 0.43 2.02 -0.54 -1.89 118.70 120.57 1ppv s GLU 116 Ca 0.13 -0.14 -0.24 0.00 0.02 0.00 0.00 54.97 54.75 1ppv s GLU 116 Cb -0.16 0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.16 1ppv s GLU 116 CO -0.19 -0.05 0.78 0.08 0.02 0.00 0.00 175.26 175.91 1ppv s VAL 117 N -0.59 4.88 -0.43 2.63 1.01 -0.76 -1.11 120.40 126.04 1ppv s VAL 117 Ca -0.07 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.43 1ppv s VAL 117 Cb -0.04 -4.07 0.19 0.00 0.00 0.00 0.00 36.38 32.45 1ppv s VAL 117 CO 0.00 -0.04 0.44 0.00 0.00 0.00 0.00 175.10 175.50 1ppv n PRO 119 N 2.63 1.52 -4.69 0.00 -0.04 -1.24 -4.38 135.00 128.80 1ppv n PRO 119 Ca 0.26 0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 63.97 1ppv n PRO 119 Cb 0.50 -2.49 -0.12 0.00 -0.04 0.00 0.00 33.50 31.35 1ppv n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ppv s VAL 120 N -1.32 3.12 0.22 0.52 1.01 -0.56 -1.81 120.40 121.58 1ppv s VAL 120 Ca 0.73 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1ppv s VAL 120 Cb -0.42 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1ppv s VAL 120 CO 0.48 0.44 0.01 -0.36 0.00 0.00 0.00 175.10 175.68 1ppv s PHE 121 N -0.88 1.46 0.05 5.22 0.40 0.07 -1.33 117.98 122.98 1ppv s PHE 121 Ca 0.14 -0.97 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 1ppv s PHE 121 Cb -0.11 -0.84 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 1ppv s PHE 121 CO 0.04 -0.12 -0.09 0.00 0.70 0.00 0.00 175.22 175.76 1ppv s ALA 122 N -3.52 0.70 0.25 5.36 0.00 0.13 -1.04 121.76 123.65 1ppv s ALA 122 Ca 0.28 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 1ppv s ALA 122 Cb 0.06 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1ppv s ALA 122 CO 0.08 -0.02 0.60 0.00 0.00 0.00 0.00 175.76 176.42 1ppv s ALA 123 N -1.62 -0.87 -0.09 0.00 0.00 -0.80 -0.92 121.76 117.46 1ppv s ALA 123 Ca -0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 1ppv s ALA 123 Cb -0.08 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1ppv s ALA 123 CO 0.00 -0.92 0.04 1.03 0.00 0.00 0.00 175.76 175.91 1ppv s ARG 124 N -3.93 3.08 0.33 0.00 0.52 -1.26 -1.67 118.95 116.02 1ppv s ARG 124 Ca 0.14 -0.36 -0.27 0.00 -0.52 0.00 0.00 55.73 54.72 1ppv s ARG 124 Cb -0.03 -2.88 -0.09 0.00 0.52 0.00 0.00 34.95 32.47 1ppv s ARG 124 CO 0.05 0.72 1.07 0.95 0.02 0.00 0.00 175.30 178.10 1ppv s THR 125 N -0.94 3.61 0.00 0.02 -4.23 -0.51 -0.94 115.64 112.65 1ppv s THR 125 Ca 0.14 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 62.10 1ppv s THR 125 Cb -0.12 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1ppv s THR 125 CO 0.04 0.21 0.84 0.35 -0.54 0.00 0.00 174.62 175.52 1ppv n THR 126 N 0.64 0.69 -4.22 3.99 -2.24 0.43 -4.47 114.28 109.09 1ppv n THR 126 Ca 0.02 -0.84 -0.15 0.00 -2.27 0.00 0.00 64.05 60.80 1ppv n THR 126 Cb 0.47 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 1ppv n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ppv s SER 127 N -0.69 0.90 0.63 3.42 1.04 -1.23 -4.93 113.70 112.84 1ppv s SER 127 Ca 0.00 -1.55 -0.14 0.00 0.48 0.00 0.00 55.95 54.73 1ppv s SER 127 Cb 0.00 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1ppv s SER 127 CO 0.00 -0.98 1.07 0.00 0.98 0.00 0.00 173.24 174.30 1ppv s ALA 128 N -3.75 2.66 0.47 5.32 0.00 -1.26 -4.73 121.76 120.47 1ppv s ALA 128 Ca 0.39 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 1ppv s ALA 128 Cb 0.04 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 1ppv s ALA 128 CO 0.20 -1.01 1.01 -0.51 0.00 0.00 0.00 175.76 175.45 1ppv s LEU 129 N -4.82 3.88 -0.28 0.00 1.43 -1.26 -4.51 118.68 113.12 1ppv s LEU 129 Ca 0.63 1.87 -0.02 0.00 -1.03 0.00 0.00 54.13 55.57 1ppv s LEU 129 Cb -0.16 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.60 1ppv s LEU 129 CO 0.42 -0.66 0.09 -1.58 0.23 0.00 0.00 176.35 174.85 1ppv s GLN 130 N -3.20 0.57 0.13 1.70 0.74 0.15 -4.99 119.66 114.77 1ppv s GLN 130 Ca 0.66 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 1ppv s GLN 130 Cb -0.14 -1.81 -0.06 0.00 1.10 0.00 0.00 33.01 32.09 1ppv s GLN 130 CO 0.18 -0.92 0.99 0.42 -0.55 0.00 0.00 175.29 175.41 1ppv s ILE 131 N 1.79 4.33 -0.55 -2.34 1.09 -1.26 -2.51 121.20 121.74 1ppv s ILE 131 Ca 0.07 1.97 -0.21 0.00 -1.10 0.00 0.00 60.65 61.38 1ppv s ILE 131 Cb -0.17 -4.26 0.06 0.00 -1.06 0.00 0.00 42.46 37.04 1ppv s ILE 131 CO -0.24 0.32 0.77 0.21 -0.10 0.00 0.00 174.94 175.89 1ppv s ASN 132 N -0.09 6.24 0.00 3.58 3.84 -0.51 -4.94 114.94 123.05 1ppv s ASN 132 Ca 0.47 -0.84 0.26 0.00 0.21 0.00 0.00 52.86 52.96 1ppv s ASN 132 Cb -0.25 -2.35 1.53 0.00 -0.55 0.00 0.00 41.25 39.63 1ppv s ASN 132 CO 0.31 -1.09 1.90 -0.90 -2.79 0.00 0.00 177.10 174.53 1ppv n ASP 133 N 6.75 0.00 0.04 -4.21 5.75 -1.26 -1.34 116.55 122.28 1ppv n ASP 133 Ca -0.04 -0.88 0.14 0.00 -0.01 0.00 0.00 54.79 53.99 1ppv n ASP 133 Cb 0.46 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.08 1ppv n ASP 133 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ppv n ASP 134 N -0.98 0.32 -0.06 -1.12 8.00 -1.26 -4.27 116.55 117.18 1ppv n ASP 134 Ca 0.19 0.53 -0.10 0.00 0.71 0.00 0.00 54.79 56.13 1ppv n ASP 134 Cb 0.09 -0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 40.52 1ppv n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ppv n GLU 135 N -1.80 0.28 -4.62 -1.24 -0.58 -0.45 -4.69 120.64 107.54 1ppv n GLU 135 Ca 0.06 0.08 -0.29 0.00 -0.42 0.00 0.00 57.16 56.60 1ppv n GLU 135 Cb 0.37 -1.15 -0.17 0.00 -0.57 0.00 0.00 31.44 29.93 1ppv n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1ppv s VAL 136 N -2.23 1.60 -0.61 2.62 1.01 -0.64 -1.16 120.40 120.99 1ppv s VAL 136 Ca -0.16 -0.72 0.18 0.00 0.00 0.00 0.00 61.98 61.28 1ppv s VAL 136 Cb 0.05 -1.44 -0.22 0.00 0.00 0.00 0.00 36.38 34.77 1ppv s VAL 136 CO 0.25 0.46 0.66 1.15 0.00 0.00 0.00 175.10 177.62 1ppv n MET 137 N 4.02 0.93 -3.52 2.72 0.00 -0.33 -4.19 117.12 116.75 1ppv n MET 137 Ca -0.20 -0.05 -0.08 0.00 0.00 0.00 0.00 57.70 57.38 1ppv n MET 137 Cb 0.52 -1.37 -0.02 0.00 0.00 0.00 0.00 33.22 32.34 1ppv n MET 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1ppv s ASP 138 N -3.11 -0.33 0.17 3.17 -1.08 -1.24 -5.00 116.67 109.25 1ppv s ASP 138 Ca 0.03 -0.02 -0.24 0.00 -0.52 0.00 0.00 52.55 51.81 1ppv s ASP 138 Cb 0.13 0.36 0.06 0.00 -1.46 0.00 0.00 42.92 42.01 1ppv s ASP 138 CO 0.74 -0.59 0.73 -0.72 0.52 0.00 0.00 175.17 175.86 1ppv s TYR 139 N -3.05 -0.34 -0.15 -5.34 -0.85 -1.26 -0.66 117.35 105.69 1ppv s TYR 139 Ca 0.06 0.05 -0.08 0.00 -0.52 0.00 0.00 57.07 56.58 1ppv s TYR 139 Cb -0.01 0.61 0.06 0.00 0.38 0.00 0.00 41.96 43.00 1ppv s TYR 139 CO -0.08 -0.92 0.37 -1.14 -1.52 0.00 0.00 175.55 172.26 1ppv s GLN 140 N -3.64 0.34 -0.17 -3.49 2.00 -0.29 -4.99 119.66 109.42 1ppv s GLN 140 Ca 0.06 0.74 -0.22 0.00 -2.00 0.00 0.00 55.36 53.94 1ppv s GLN 140 Cb -0.03 -0.03 -0.02 0.00 0.80 0.00 0.00 33.01 33.73 1ppv s GLN 140 CO -0.04 -0.17 0.69 -1.58 -0.50 0.00 0.00 175.29 173.69 1ppv s TRP 141 N 1.46 3.42 0.15 1.67 0.52 -1.26 -0.78 118.94 124.11 1ppv s TRP 141 Ca -0.09 1.06 -0.04 0.00 0.02 0.00 0.00 56.10 57.05 1ppv s TRP 141 Cb -0.09 -2.85 -0.03 0.00 -1.15 0.00 0.00 33.47 29.35 1ppv s TRP 141 CO -0.12 -0.15 0.15 0.00 0.02 0.00 0.00 176.95 176.86 1ppv s ASP 143 N -3.01 7.13 0.36 0.00 1.11 -1.26 -0.40 116.67 120.59 1ppv s ASP 143 Ca 0.21 2.12 0.06 0.00 0.18 0.00 0.00 52.55 55.11 1ppv s ASP 143 Cb 0.06 -2.60 0.74 0.00 1.07 0.00 0.00 42.92 42.19 1ppv s ASP 143 CO 0.01 -0.37 1.97 0.25 1.18 0.00 0.00 175.17 178.21 1ppv h LEU 144 N 5.79 0.66 -0.79 1.23 5.85 -1.92 -1.57 115.31 124.55 1ppv h LEU 144 Ca -0.43 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1ppv h LEU 144 Cb 1.21 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1ppv h LEU 144 CO 0.76 0.44 0.51 0.00 -0.34 0.00 0.00 178.44 179.81 1ppv h ALA 145 N 1.62 1.03 -0.44 1.25 0.00 -1.98 -0.91 119.26 119.84 1ppv h ALA 145 Ca 0.29 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1ppv h ALA 145 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ppv h ALA 145 CO -0.09 0.33 -0.18 -0.44 0.00 0.00 0.00 179.25 178.87 1ppv h ASP 146 N 0.99 0.85 -0.55 0.00 3.32 -1.70 -1.07 116.42 118.26 1ppv h ASP 146 Ca 0.31 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1ppv h ASP 146 Cb -0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1ppv h ASP 146 CO -0.11 1.02 0.03 0.58 -1.72 0.00 0.00 179.24 179.04 1ppv h VAL 147 N 0.75 1.26 -0.43 -1.35 2.07 -0.88 -0.73 116.25 116.93 1ppv h VAL 147 Ca 0.11 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.43 1ppv h VAL 147 Cb 0.70 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1ppv h VAL 147 CO 0.05 0.39 -0.22 -0.07 0.02 0.00 0.00 177.57 177.74 1ppv h LEU 148 N 0.91 0.88 -0.68 2.57 3.38 -0.97 0.55 115.31 121.96 1ppv h LEU 148 Ca 0.17 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ppv h LEU 148 Cb 0.49 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1ppv h LEU 148 CO 0.02 1.07 0.41 0.45 0.09 0.00 0.00 178.44 180.48 1ppv h HIS 149 N 0.75 0.76 -0.40 1.13 3.86 -0.80 0.18 115.15 120.64 1ppv h HIS 149 Ca 0.10 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1ppv h HIS 149 Cb 0.76 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 1ppv h HIS 149 CO 0.04 0.41 0.09 0.78 0.86 0.00 0.00 177.93 180.12 1ppv h GLY 150 N 0.79 0.69 1.13 2.45 0.00 -0.61 -1.27 103.07 106.25 1ppv h GLY 150 Ca 0.29 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ppv h GLY 150 CO -0.13 0.41 0.56 -2.22 0.00 0.00 0.00 176.54 175.16 1ppv h ILE 151 N 0.51 1.23 -0.03 2.60 2.04 -0.64 -0.28 117.51 122.93 1ppv h ILE 151 Ca 0.12 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 1ppv h ILE 151 Cb 0.32 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1ppv h ILE 151 CO 0.00 0.23 -0.60 0.44 0.00 0.00 0.00 178.15 178.22 1ppv h ASP 152 N 1.19 0.12 0.13 1.72 3.32 -0.35 -2.98 116.42 119.58 1ppv h ASP 152 Ca 0.32 -0.07 -0.30 0.00 0.02 0.00 0.00 57.03 56.99 1ppv h ASP 152 Cb -0.11 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1ppv h ASP 152 CO -0.07 0.69 -1.56 0.00 -1.72 0.00 0.00 179.24 176.59 1ppv h ALA 153 N 1.31 0.19 -2.07 3.45 0.00 -0.96 -3.42 119.26 117.77 1ppv h ALA 153 Ca -0.01 -1.13 -0.56 0.00 0.00 0.00 0.00 54.91 53.21 1ppv h ALA 153 Cb 1.08 0.50 -0.40 0.00 0.00 0.00 0.00 17.79 18.96 1ppv h ALA 153 CO 0.08 0.92 -0.96 0.25 0.00 0.00 0.00 179.25 179.55 1ppv n THR 154 N -3.80 0.41 0.01 0.00 -2.24 -0.14 -4.95 114.28 103.57 1ppv n THR 154 Ca -0.26 -4.50 0.08 0.00 -2.27 0.00 0.00 64.05 57.10 1ppv n THR 154 Cb 0.96 -1.74 0.49 0.00 -2.10 0.00 0.00 70.33 67.94 1ppv n THR 154 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ppv h PRO 155 N 3.85 0.39 0.00 -0.78 0.13 -1.66 -1.79 132.00 132.14 1ppv h PRO 155 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ppv h PRO 155 Cb 0.81 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1ppv h PRO 155 CO 0.59 0.26 0.05 -2.67 -0.23 0.00 0.00 178.00 176.00 1ppv n TRP 156 N -4.48 0.66 1.47 1.56 4.27 -1.26 -1.18 117.44 118.48 1ppv n TRP 156 Ca 0.05 0.35 0.14 0.00 -3.89 0.00 0.00 57.50 54.15 1ppv n TRP 156 Cb 0.18 -1.02 0.67 0.00 -1.36 0.00 0.00 31.31 29.78 1ppv n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ppv n ALA 157 N -1.73 2.70 -2.42 -1.67 0.00 -0.67 -4.87 120.51 111.85 1ppv n ALA 157 Ca -0.01 -0.25 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 1ppv n ALA 157 Cb 0.08 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.05 1ppv n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ppv s PHE 158 N -2.43 1.92 0.55 0.00 0.08 -0.32 -4.35 117.98 113.43 1ppv s PHE 158 Ca 0.31 -0.68 -0.20 0.00 0.12 0.00 0.00 56.93 56.47 1ppv s PHE 158 Cb 0.20 -1.07 -0.05 0.00 -0.57 0.00 0.00 43.02 41.54 1ppv s PHE 158 CO 0.46 0.29 1.24 -1.54 -0.10 0.00 0.00 175.22 175.57 1ppv s SER 159 N -3.43 5.40 0.39 1.36 1.04 -0.24 -4.87 113.70 113.36 1ppv s SER 159 Ca 0.29 2.48 0.10 0.00 0.48 0.00 0.00 55.95 59.29 1ppv s SER 159 Cb 0.03 -2.61 0.81 0.00 0.10 0.00 0.00 66.02 64.35 1ppv s SER 159 CO 0.11 -1.46 1.93 1.55 0.98 0.00 0.00 173.24 176.36 1ppv h PRO 160 N 1.27 0.24 -0.01 4.02 0.13 -1.92 -2.23 132.00 133.50 1ppv h PRO 160 Ca -0.50 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.41 1ppv h PRO 160 Cb 1.29 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1ppv h PRO 160 CO 0.57 0.36 -0.74 0.11 -0.23 0.00 0.00 178.00 178.06 1ppv h TRP 161 N 0.23 0.11 -0.59 1.56 0.09 -1.99 -0.92 115.95 114.44 1ppv h TRP 161 Ca 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 58.89 58.95 1ppv h TRP 161 Cb 0.33 -0.02 -0.03 0.00 0.08 0.00 0.00 29.16 29.53 1ppv h TRP 161 CO 0.01 0.79 0.27 1.98 0.09 0.00 0.00 178.44 181.58 1ppv h MET 162 N 0.05 0.86 0.18 0.12 4.05 -1.78 -1.38 114.93 117.03 1ppv h MET 162 Ca -0.02 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 1ppv h MET 162 Cb 1.31 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1ppv h MET 162 CO 0.10 0.70 -0.08 0.28 0.23 0.00 0.00 176.91 178.14 1ppv h VAL 163 N 0.81 0.86 -0.93 -5.77 2.07 -1.34 -0.98 116.25 110.97 1ppv h VAL 163 Ca 0.20 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1ppv h VAL 163 Cb 0.14 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1ppv h VAL 163 CO -0.02 0.03 0.61 0.24 0.02 0.00 0.00 177.57 178.45 1ppv h MET 164 N -0.31 1.16 -0.23 1.57 2.86 -1.05 -0.59 114.93 118.35 1ppv h MET 164 Ca -0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1ppv h MET 164 Cb 0.24 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1ppv h MET 164 CO 0.04 0.77 0.11 1.96 1.06 0.00 0.00 176.91 180.85 1ppv h GLN 165 N 1.20 0.34 0.00 1.72 4.20 -1.15 -2.90 115.11 118.52 1ppv h GLN 165 Ca 0.36 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.02 1ppv h GLN 165 Cb -0.03 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1ppv h GLN 165 CO -0.11 0.35 0.00 0.00 -0.67 0.00 0.00 178.83 178.40 1ppv h ALA 166 N 0.97 1.00 -0.61 3.87 0.00 -0.47 -2.46 119.26 121.56 1ppv h ALA 166 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ppv h ALA 166 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ppv h ALA 166 CO -0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.49 1ppv n THR 167 N -2.69 0.91 -2.72 0.00 -2.24 -0.29 -4.57 114.28 102.67 1ppv n THR 167 Ca 0.02 -0.95 -0.43 0.00 -2.27 0.00 0.00 64.05 60.42 1ppv n THR 167 Cb 0.30 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 1ppv n THR 167 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ppv s ASN 168 N -1.07 7.04 0.20 3.42 3.84 -0.93 -4.96 114.94 122.48 1ppv s ASN 168 Ca 0.43 1.30 -0.11 0.00 0.21 0.00 0.00 52.86 54.69 1ppv s ASN 168 Cb 0.23 -2.51 0.24 0.00 -0.55 0.00 0.00 41.25 38.65 1ppv s ASN 168 CO 0.30 -0.62 1.73 -0.09 -2.79 0.00 0.00 177.10 175.64 1ppv h ARG 169 N 7.48 0.33 -0.30 0.43 1.12 -1.88 -0.63 114.38 120.92 1ppv h ARG 169 Ca -0.21 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.55 1ppv h ARG 169 Cb 1.07 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.95 1ppv h ARG 169 CO 0.94 0.22 -0.16 0.93 -3.11 0.00 0.00 179.97 178.79 1ppv h GLU 170 N 0.34 0.64 -0.71 0.20 3.07 -1.94 -1.70 114.58 114.47 1ppv h GLU 170 Ca 0.28 -0.28 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1ppv h GLU 170 Cb 0.35 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 1ppv h GLU 170 CO -0.31 0.87 0.47 0.00 -1.40 0.00 0.00 179.01 178.64 1ppv h ALA 171 N 0.75 1.54 -0.41 3.43 0.00 -1.61 0.11 119.26 123.07 1ppv h ALA 171 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1ppv h ALA 171 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ppv h ALA 171 CO 0.05 0.41 -0.35 -0.09 0.00 0.00 0.00 179.25 179.27 1ppv h ARG 172 N 0.92 0.96 -0.43 0.00 2.43 -0.88 0.13 114.38 117.51 1ppv h ARG 172 Ca 0.27 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1ppv h ARG 172 Cb -0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1ppv h ARG 172 CO -0.07 1.15 0.24 -0.22 -1.51 0.00 0.00 179.97 179.56 1ppv h LYS 173 N 0.79 0.60 -0.28 0.20 3.64 -0.56 -1.87 116.57 119.09 1ppv h LYS 173 Ca 0.07 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1ppv h LYS 173 Cb 0.95 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1ppv h LYS 173 CO 0.09 0.48 -0.21 0.00 -2.27 0.00 0.00 179.45 177.53 1ppv h ARG 174 N 0.56 0.52 -0.49 1.90 3.08 -0.53 -2.86 114.38 116.55 1ppv h ARG 174 Ca 0.15 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1ppv h ARG 174 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1ppv h ARG 174 CO -0.02 0.70 0.12 -0.07 -1.07 0.00 0.00 179.97 179.62 1ppv h LEU 175 N 0.46 0.75 -1.72 3.04 3.38 -0.52 -2.41 115.31 118.29 1ppv h LEU 175 Ca 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ppv h LEU 175 Cb 0.63 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ppv h LEU 175 CO 0.04 0.79 0.20 0.28 0.09 0.00 0.00 178.44 179.85 1ppv h SER 176 N 0.68 0.00 1.67 -0.43 0.02 -1.13 0.78 113.55 115.13 1ppv h SER 176 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1ppv h SER 176 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ppv h SER 176 CO 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 175.67 1ppv h ALA 177 N 1.54 0.99 -0.01 3.77 0.00 -1.23 -3.26 119.26 121.07 1ppv h ALA 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ppv h ALA 177 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ppv h ALA 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1ppv n PHE 178 N -2.59 0.00 0.38 0.00 3.01 0.27 -5.16 117.46 113.38 1ppv n PHE 178 Ca 0.05 -0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.55 1ppv n PHE 178 Cb 0.47 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.98 1ppv n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02