#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wub s VAL 2 N 0.00 3.77 0.01 6.31 1.01 -1.26 -4.41 120.40 125.83 2wub s VAL 2 Ca 0.00 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 2wub s VAL 2 Cb 0.00 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2wub s VAL 2 CO 0.00 0.33 0.07 -1.58 0.00 0.00 0.00 175.10 173.92 2wub s GLN 3 N -0.79 0.42 -0.04 2.72 2.00 0.35 -5.01 119.66 119.31 2wub s GLN 3 Ca 0.47 -0.50 -0.00 0.00 -2.00 0.00 0.00 55.36 53.33 2wub s GLN 3 Cb -0.30 0.17 0.03 0.00 0.80 0.00 0.00 33.01 33.71 2wub s GLN 3 CO 0.37 -0.09 0.01 -0.51 -0.50 0.00 0.00 175.29 174.56 2wub s LEU 4 N -1.45 0.94 -0.12 3.68 1.02 -1.26 -1.21 118.68 120.28 2wub s LEU 4 Ca -0.15 -0.03 0.01 0.00 0.02 0.00 0.00 54.13 53.99 2wub s LEU 4 Cb -0.08 -0.26 0.02 0.00 0.02 0.00 0.00 46.19 45.88 2wub s LEU 4 CO 0.00 -0.13 -0.16 -0.69 0.02 0.00 0.00 176.35 175.39 2wub s VAL 5 N 1.32 1.61 0.45 -1.59 1.01 0.19 -4.19 120.40 119.20 2wub s VAL 5 Ca -0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2wub s VAL 5 Cb -0.13 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2wub s VAL 5 CO -0.02 0.46 0.69 -1.61 0.00 0.00 0.00 175.10 174.62 2wub s GLU 6 N 1.09 3.21 -0.05 2.72 8.01 -1.25 -0.48 118.70 131.95 2wub s GLU 6 Ca -0.04 -0.29 -0.31 0.00 0.01 0.00 0.00 54.97 54.34 2wub s GLU 6 Cb -0.14 -2.52 0.12 0.00 -4.31 0.00 0.00 34.13 27.27 2wub s GLU 6 CO -0.04 -0.22 1.16 -1.54 0.01 0.00 0.00 175.26 174.63 2wub s SER 7 N -4.17 -0.14 0.00 -0.19 1.04 -0.64 -4.86 113.70 104.74 2wub s SER 7 Ca 0.47 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2wub s SER 7 Cb -0.10 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2wub s SER 7 CO 0.39 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2wub n GLY 8 N -0.32 0.83 3.88 7.32 0.00 -1.26 -0.57 105.19 115.06 2wub n GLY 8 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2wub n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wub s GLY 9 N -1.45 1.65 0.00 -0.02 0.00 -1.26 -4.54 107.32 101.71 2wub s GLY 9 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 2wub s GLY 9 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.73 2wub n GLY 10 N -2.42 -0.83 3.61 0.20 0.00 -0.99 -4.93 105.19 99.83 2wub n GLY 10 Ca 0.04 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 2wub n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wub s LEU 11 N 0.00 3.68 0.05 0.99 2.96 -1.26 -1.42 118.68 123.68 2wub s LEU 11 Ca 0.00 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2wub s LEU 11 Cb 0.00 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2wub s LEU 11 CO 0.00 0.19 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.46 2wub s VAL 12 N 0.29 0.51 0.38 1.68 1.01 0.34 -4.99 120.40 119.63 2wub s VAL 12 Ca 0.02 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.55 2wub s VAL 12 Cb -0.13 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 2wub s VAL 12 CO 0.01 -0.47 1.14 -1.10 0.00 0.00 0.00 175.10 174.68 2wub s GLN 13 N -1.91 4.17 0.37 2.72 -1.52 -1.24 -0.80 119.66 121.44 2wub s GLN 13 Ca -0.07 1.79 -0.28 0.00 -1.95 0.00 0.00 55.36 54.85 2wub s GLN 13 Cb -0.08 -2.74 -0.11 0.00 -0.22 0.00 0.00 33.01 29.86 2wub s GLN 13 CO -0.01 -0.20 1.37 -2.30 -0.25 0.00 0.00 175.29 173.90 2wub n PRO 14 N 0.24 2.33 -0.24 2.91 -0.02 -1.26 -1.04 135.00 137.91 2wub n PRO 14 Ca 0.03 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2wub n PRO 14 Cb 0.47 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2wub n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wub n GLY 15 N 0.64 1.01 0.46 -1.23 0.00 0.21 -4.93 105.19 101.36 2wub n GLY 15 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2wub n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wub n GLY 16 N -2.00 0.30 3.11 -0.02 0.00 -0.20 -4.16 105.19 102.23 2wub n GLY 16 Ca 0.00 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 2wub n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wub s SER 17 N -1.51 1.00 -0.18 1.61 1.04 -1.26 -1.42 113.70 112.98 2wub s SER 17 Ca 0.08 -0.75 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 2wub s SER 17 Cb -0.00 0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.22 2wub s SER 17 CO 0.06 -0.32 0.50 -0.22 0.98 0.00 0.00 173.24 174.23 2wub s LEU 18 N -2.23 0.11 -0.13 2.42 2.96 -0.28 -5.00 118.68 116.52 2wub s LEU 18 Ca -0.00 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 2wub s LEU 18 Cb -0.03 1.70 -0.01 0.00 0.50 0.00 0.00 46.19 48.35 2wub s LEU 18 CO -0.02 -0.18 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.09 2wub s ARG 19 N 0.23 3.35 0.12 1.98 3.52 -1.26 -0.89 118.95 126.01 2wub s ARG 19 Ca -0.00 -0.70 0.06 0.00 -0.13 0.00 0.00 55.73 54.95 2wub s ARG 19 Cb -0.03 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2wub s ARG 19 CO 0.01 0.21 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.20 2wub s LEU 20 N 0.35 3.40 0.11 -0.88 1.43 0.06 -4.53 118.68 118.62 2wub s LEU 20 Ca -0.12 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2wub s LEU 20 Cb -0.16 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2wub s LEU 20 CO 0.06 0.14 -0.23 -0.44 0.23 0.00 0.00 176.35 176.11 2wub s SER 21 N -2.55 2.80 -0.33 2.29 0.01 0.27 -0.98 113.70 115.21 2wub s SER 21 Ca 0.26 -0.70 -0.00 0.00 1.31 0.00 0.00 55.95 56.82 2wub s SER 21 Cb -0.11 -0.17 0.10 0.00 0.21 0.00 0.00 66.02 66.06 2wub s SER 21 CO 0.18 0.10 0.11 0.00 0.41 0.00 0.00 173.24 174.04 2wub s ALA 23 N 1.43 3.56 0.05 0.00 0.00 0.37 -0.21 121.76 126.96 2wub s ALA 23 Ca 0.11 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 2wub s ALA 23 Cb -0.18 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 2wub s ALA 23 CO -0.21 -0.57 0.44 0.00 0.00 0.00 0.00 175.76 175.42 2wub s ALA 24 N 1.93 3.68 -0.01 0.00 0.00 -0.99 -0.64 121.76 125.73 2wub s ALA 24 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2wub s ALA 24 Cb -0.16 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2wub s ALA 24 CO 0.10 0.50 0.00 -1.12 0.00 0.00 0.00 175.76 175.24 2wub s SER 25 N -1.38 0.09 0.00 0.00 0.01 -0.35 -4.84 113.70 107.23 2wub s SER 25 Ca 0.29 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2wub s SER 25 Cb -0.16 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2wub s SER 25 CO 0.16 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2wub n GLY 26 N 3.42 0.51 3.82 3.44 0.00 -1.26 -0.50 105.19 114.62 2wub n GLY 26 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 2wub n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wub s PHE 27 N -2.22 -0.02 -0.27 1.61 -0.71 -1.26 -4.78 117.98 110.32 2wub s PHE 27 Ca 0.00 -0.42 -0.07 0.00 -1.04 0.00 0.00 56.93 55.40 2wub s PHE 27 Cb 0.00 0.71 -0.01 0.00 -1.21 0.00 0.00 43.02 42.51 2wub s PHE 27 CO 0.00 -1.08 0.08 0.95 -1.34 0.00 0.00 175.22 173.83 2wub s THR 28 N -2.82 4.21 0.52 -4.49 -4.23 -1.26 -4.96 115.64 102.60 2wub s THR 28 Ca 0.16 -0.37 0.18 0.00 -1.18 0.00 0.00 61.69 60.48 2wub s THR 28 Cb -0.03 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 71.06 2wub s THR 28 CO 0.06 0.23 2.11 0.16 -0.54 0.00 0.00 174.62 176.64 2wub h ILE 29 N 5.66 0.94 -0.66 2.99 3.07 -1.92 -3.28 117.51 124.30 2wub h ILE 29 Ca -0.36 -0.01 0.06 0.00 1.55 0.00 0.00 64.86 66.10 2wub h ILE 29 Cb 1.16 0.90 -0.08 0.00 -0.27 0.00 0.00 36.82 38.52 2wub h ILE 29 CO 0.59 0.01 -0.45 -1.13 -1.05 0.00 0.00 178.15 176.12 2wub h ASN 30 N 0.04 -1.61 -0.12 2.16 -0.00 -1.93 -0.44 115.58 113.68 2wub h ASN 30 Ca 0.07 0.24 -0.02 0.00 -0.00 0.00 0.00 56.30 56.59 2wub h ASN 30 Cb 0.25 0.70 -0.01 0.00 -0.00 0.00 0.00 38.32 39.26 2wub h ASN 30 CO -0.00 -0.21 0.02 0.61 -0.00 0.00 0.00 177.43 177.85 2wub n GLY 31 N -1.21 1.90 3.41 1.57 0.00 -1.24 -1.92 105.19 107.69 2wub n GLY 31 Ca 0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 2wub n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wub s THR 32 N -1.15 1.47 -0.40 2.61 -4.23 -0.18 -5.02 115.64 108.74 2wub s THR 32 Ca 0.10 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 2wub s THR 32 Cb 0.07 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.48 2wub s THR 32 CO 0.03 -0.28 0.27 -0.31 -0.54 0.00 0.00 174.62 173.79 2wub s TYR 33 N -3.13 3.24 -0.12 3.99 4.12 -1.25 -4.36 117.35 119.84 2wub s TYR 33 Ca 0.30 -0.73 -0.13 0.00 0.02 0.00 0.00 57.07 56.53 2wub s TYR 33 Cb 0.05 -2.54 -0.05 0.00 -1.52 0.00 0.00 41.96 37.90 2wub s TYR 33 CO 0.11 -0.62 0.29 0.42 0.02 0.00 0.00 175.55 175.78 2wub s ILE 34 N 1.63 5.28 0.21 2.71 1.09 -0.47 -1.04 121.20 130.62 2wub s ILE 34 Ca 0.04 0.54 0.05 0.00 -1.10 0.00 0.00 60.65 60.18 2wub s ILE 34 Cb -0.19 -3.60 -0.05 0.00 -1.06 0.00 0.00 42.46 37.55 2wub s ILE 34 CO 0.09 0.48 -0.06 -1.00 -0.10 0.00 0.00 174.94 174.35 2wub s HIS 35 N -0.16 1.57 -0.10 3.97 3.76 0.58 0.15 115.29 125.04 2wub s HIS 35 Ca 0.18 -0.80 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 2wub s HIS 35 Cb -0.14 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.70 2wub s HIS 35 CO 0.06 0.10 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.25 2wub s TRP 36 N -3.27 2.37 -0.05 1.40 0.52 0.85 -0.73 118.94 120.03 2wub s TRP 36 Ca 0.25 -1.02 0.03 0.00 0.02 0.00 0.00 56.10 55.38 2wub s TRP 36 Cb 0.04 -1.61 0.01 0.00 -1.15 0.00 0.00 33.47 30.75 2wub s TRP 36 CO 0.07 -0.44 -0.14 0.08 0.02 0.00 0.00 176.95 176.54 2wub s VAL 37 N 0.52 1.22 0.48 4.03 1.01 0.41 0.07 120.40 128.15 2wub s VAL 37 Ca -0.15 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.33 2wub s VAL 37 Cb -0.17 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.14 2wub s VAL 37 CO 0.06 0.37 0.39 0.00 0.00 0.00 0.00 175.10 175.91 2wub s ARG 38 N 0.38 2.35 -0.31 2.72 1.70 0.33 -0.70 118.95 125.41 2wub s ARG 38 Ca -0.10 -1.80 0.03 0.00 -0.47 0.00 0.00 55.73 53.39 2wub s ARG 38 Cb -0.13 -2.21 0.17 0.00 -0.57 0.00 0.00 34.95 32.20 2wub s ARG 38 CO 0.03 -0.42 0.46 -1.14 -1.08 0.00 0.00 175.30 173.15 2wub s GLN 39 N -4.20 0.50 0.82 3.89 0.74 -0.52 -0.82 119.66 120.08 2wub s GLN 39 Ca 0.42 0.07 -0.13 0.00 0.05 0.00 0.00 55.36 55.76 2wub s GLN 39 Cb -0.02 -0.20 0.06 0.00 1.10 0.00 0.00 33.01 33.95 2wub s GLN 39 CO 0.25 -1.07 0.99 0.00 -0.55 0.00 0.00 175.29 174.91 2wub n ALA 40 N 5.17 -0.66 -1.67 1.58 0.00 -1.25 -2.47 120.51 121.20 2wub n ALA 40 Ca 0.04 -0.37 -0.51 0.00 0.00 0.00 0.00 53.44 52.59 2wub n ALA 40 Cb 0.51 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 2wub n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wub n PRO 41 N -2.75 1.70 -3.09 0.00 -0.02 -1.26 -1.41 135.00 128.17 2wub n PRO 41 Ca 0.12 0.62 -0.22 0.00 -2.02 0.00 0.00 63.50 62.00 2wub n PRO 41 Cb 0.51 -2.37 0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2wub n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wub n GLY 42 N 3.84 -0.52 0.00 -1.23 0.00 -1.26 -4.96 105.19 101.06 2wub n GLY 42 Ca 0.22 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2wub n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wub n LYS 43 N -3.94 0.92 -1.79 1.61 4.76 -0.50 -5.17 118.16 114.05 2wub n LYS 43 Ca -0.09 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.24 2wub n LYS 43 Cb 0.60 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.84 2wub n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wub n GLY 44 N 2.11 1.20 3.76 0.72 0.00 -1.26 -4.72 105.19 107.00 2wub n GLY 44 Ca 0.00 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 2wub n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wub s LEU 45 N 0.00 4.47 -0.09 0.99 1.43 -1.26 -3.91 118.68 120.31 2wub s LEU 45 Ca 0.33 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 2wub s LEU 45 Cb -0.02 -3.15 0.02 0.00 0.03 0.00 0.00 46.19 43.07 2wub s LEU 45 CO 0.22 0.09 -0.10 -0.70 0.23 0.00 0.00 176.35 176.09 2wub s GLU 46 N -0.36 1.61 0.03 1.70 2.12 0.00 -4.96 118.70 118.84 2wub s GLU 46 Ca 0.36 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 2wub s GLU 46 Cb -0.20 -1.49 -0.07 0.00 0.26 0.00 0.00 34.13 32.63 2wub s GLU 46 CO 0.22 -0.12 1.46 -0.46 -0.54 0.00 0.00 175.26 175.82 2wub s TRP 47 N 1.18 2.82 -0.20 5.30 -0.00 -1.26 -0.51 118.94 126.26 2wub s TRP 47 Ca -0.05 0.72 -0.19 0.00 -0.00 0.00 0.00 56.10 56.58 2wub s TRP 47 Cb -0.14 -3.74 -0.16 0.00 -0.00 0.00 0.00 33.47 29.43 2wub s TRP 47 CO -0.02 -2.77 0.12 0.28 -0.00 0.00 0.00 176.95 174.56 2wub n VAL 48 N 4.56 1.52 -1.84 5.86 0.31 0.11 -4.65 118.33 124.20 2wub n VAL 48 Ca 0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 2wub n VAL 48 Cb 0.43 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 2wub n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wub n GLY 49 N 1.45 -1.56 3.73 2.92 0.00 -1.13 -1.19 105.19 109.40 2wub n GLY 49 Ca -0.30 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 2wub n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wub s GLY 50 N 0.00 -0.25 0.02 -0.02 0.00 -0.20 -0.10 107.32 106.77 2wub s GLY 50 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.81 2wub s GLY 50 CO 0.00 0.02 -0.04 -1.50 0.00 0.00 0.00 173.10 171.58 2wub s ILE 51 N -3.60 0.17 -0.47 0.90 2.07 0.12 -0.88 121.20 119.51 2wub s ILE 51 Ca 0.09 -0.95 0.03 0.00 -1.41 0.00 0.00 60.65 58.41 2wub s ILE 51 Cb -0.03 -0.33 0.15 0.00 0.13 0.00 0.00 42.46 42.38 2wub s ILE 51 CO 0.01 -0.50 0.32 -0.47 -1.91 0.00 0.00 174.94 172.39 2wub s TYR 52 N -1.50 1.81 0.24 3.50 5.04 -0.03 -1.37 117.35 125.05 2wub s TYR 52 Ca -0.15 -2.45 -0.09 0.00 -2.44 0.00 0.00 57.07 51.94 2wub s TYR 52 Cb -0.10 -1.59 0.37 0.00 0.35 0.00 0.00 41.96 40.99 2wub s TYR 52 CO -0.01 -0.76 1.38 -2.30 -1.34 0.00 0.00 175.55 172.52 2wub n PRO 52 N 3.09 -0.10 -0.07 4.97 -0.02 -1.25 -1.23 135.00 140.38 2wub n PRO 52 Ca 0.18 1.37 -0.07 0.00 -2.02 0.00 0.00 63.50 62.96 2wub n PRO 52 Cb 0.39 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 2wub n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wub h ALA 53 N 1.66 0.16 0.00 3.55 0.00 -1.71 -1.51 119.26 121.42 2wub h ALA 53 Ca 0.40 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2wub h ALA 53 Cb 0.62 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2wub h ALA 53 CO -0.90 -0.48 -0.18 0.41 0.00 0.00 0.00 179.25 178.10 2wub n GLY 54 N -1.25 -1.44 2.78 0.00 0.00 -0.76 -4.91 105.19 99.61 2wub n GLY 54 Ca -0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2wub n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wub n GLY 55 N 1.47 -0.07 3.39 -0.02 0.00 -0.37 -5.01 105.19 104.59 2wub n GLY 55 Ca 0.06 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2wub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wub s ALA 56 N -3.23 2.47 0.30 4.61 0.00 -1.01 -4.99 121.76 119.92 2wub s ALA 56 Ca 0.22 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.28 2wub s ALA 56 Cb -0.09 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 2wub s ALA 56 CO 0.49 0.47 -0.15 0.95 0.00 0.00 0.00 175.76 177.52 2wub s THR 57 N -0.42 2.46 -0.12 0.00 -4.23 -1.26 -0.85 115.64 111.22 2wub s THR 57 Ca 0.05 -2.31 -0.10 0.00 -1.18 0.00 0.00 61.69 58.14 2wub s THR 57 Cb -0.12 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.31 2wub s THR 57 CO 0.02 -0.33 0.32 -0.31 -0.54 0.00 0.00 174.62 173.77 2wub s TYR 58 N -2.53 -0.36 0.08 3.99 2.02 -0.06 -4.98 117.35 115.51 2wub s TYR 58 Ca 0.31 0.87 0.01 0.00 -0.37 0.00 0.00 57.07 57.89 2wub s TYR 58 Cb -0.03 0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 2wub s TYR 58 CO 0.16 -0.18 -0.06 0.71 -1.57 0.00 0.00 175.55 174.60 2wub s TYR 59 N 0.31 0.79 0.24 2.71 2.02 -1.26 -1.03 117.35 121.13 2wub s TYR 59 Ca -0.01 -0.84 -0.11 0.00 -0.37 0.00 0.00 57.07 55.73 2wub s TYR 59 Cb -0.03 -0.47 -0.08 0.00 -0.40 0.00 0.00 41.96 40.98 2wub s TYR 59 CO -0.01 -0.17 0.59 0.00 -1.57 0.00 0.00 175.55 174.39 2wub s ALA 60 N -3.16 3.52 0.38 3.71 0.00 -0.34 -4.93 121.76 120.94 2wub s ALA 60 Ca 0.06 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 51.92 2wub s ALA 60 Cb 0.02 -2.51 0.85 0.00 0.00 0.00 0.00 23.12 21.48 2wub s ALA 60 CO -0.04 0.47 1.93 -0.44 0.00 0.00 0.00 175.76 177.68 2wub h ASP 61 N 2.59 0.57 0.53 0.00 3.32 -1.93 -1.35 116.42 120.15 2wub h ASP 61 Ca -0.47 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2wub h ASP 61 Cb 1.17 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 2wub h ASP 61 CO 0.68 0.34 -0.05 0.77 -1.72 0.00 0.00 179.24 179.26 2wub h SER 62 N 0.63 0.00 -0.02 6.45 4.64 -1.95 -2.86 113.55 120.44 2wub h SER 62 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2wub h SER 62 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2wub h SER 62 CO -0.13 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.21 2wub n VAL 63 N -3.28 0.81 -1.76 0.95 0.24 -0.76 -4.98 118.33 109.55 2wub n VAL 63 Ca -0.01 -0.91 -0.41 0.00 -2.04 0.00 0.00 64.34 60.97 2wub n VAL 63 Cb 0.23 0.60 -0.00 0.00 -1.47 0.00 0.00 33.84 33.19 2wub n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2wub n LYS 64 N -0.34 2.61 0.00 7.34 3.00 -0.58 -0.94 118.16 129.25 2wub n LYS 64 Ca 0.01 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.23 2wub n LYS 64 Cb 0.22 -2.63 0.00 0.00 0.00 0.00 0.00 35.03 32.62 2wub n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wub n GLY 65 N 0.52 0.80 0.16 3.14 0.00 -1.26 -4.57 105.19 103.98 2wub n GLY 65 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2wub n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wub h ARG 66 N 0.00 0.58 -5.99 1.61 3.08 -1.79 -3.46 114.38 108.42 2wub h ARG 66 Ca 0.00 -0.89 -0.61 0.00 0.07 0.00 0.00 59.98 58.56 2wub h ARG 66 Cb 0.00 0.31 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 2wub h ARG 66 CO 0.00 1.42 -0.51 -0.06 -1.07 0.00 0.00 179.97 179.74 2wub s PHE 67 N -2.78 3.45 -0.06 3.04 0.40 -0.11 -1.99 117.98 119.93 2wub s PHE 67 Ca -0.09 0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2wub s PHE 67 Cb 0.05 -1.71 0.04 0.00 0.51 0.00 0.00 43.02 41.90 2wub s PHE 67 CO 0.94 0.56 0.11 0.99 0.70 0.00 0.00 175.22 178.53 2wub s THR 68 N -1.54 -0.16 -0.15 0.64 2.01 -0.05 -4.86 115.64 111.54 2wub s THR 68 Ca 0.34 0.33 -0.07 0.00 0.31 0.00 0.00 61.69 62.60 2wub s THR 68 Cb -0.12 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 2wub s THR 68 CO 0.27 0.14 0.11 -0.63 -0.69 0.00 0.00 174.62 173.81 2wub s ILE 69 N 1.92 5.21 0.17 1.82 1.01 -1.26 -0.42 121.20 129.64 2wub s ILE 69 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 2wub s ILE 69 Cb -0.12 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2wub s ILE 69 CO -0.05 0.54 0.10 -0.94 0.00 0.00 0.00 174.94 174.59 2wub s SER 70 N -0.37 0.22 0.03 3.58 1.04 -0.51 -4.99 113.70 112.69 2wub s SER 70 Ca 0.11 -1.31 -0.06 0.00 0.48 0.00 0.00 55.95 55.16 2wub s SER 70 Cb -0.12 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 2wub s SER 70 CO 0.01 -0.79 0.11 0.00 0.98 0.00 0.00 173.24 173.55 2wub s ALA 71 N -4.11 -0.14 -0.33 5.32 0.00 -1.26 0.56 121.76 121.79 2wub s ALA 71 Ca 0.33 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2wub s ALA 71 Cb 0.07 0.23 0.10 0.00 0.00 0.00 0.00 23.12 23.52 2wub s ALA 71 CO 0.08 -0.30 0.10 0.34 0.00 0.00 0.00 175.76 175.98 2wub s ASP 72 N -1.97 4.22 0.37 0.00 -1.08 -0.21 -4.99 116.67 113.00 2wub s ASP 72 Ca -0.07 -1.91 0.07 0.00 -0.52 0.00 0.00 52.55 50.12 2wub s ASP 72 Cb -0.03 -1.12 0.76 0.00 -1.46 0.00 0.00 42.92 41.08 2wub s ASP 72 CO -0.03 -0.39 1.95 0.71 0.52 0.00 0.00 175.17 177.93 2wub h THR 73 N 6.39 1.00 0.00 1.71 1.35 -1.96 0.21 112.91 121.62 2wub h THR 73 Ca -0.10 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 2wub h THR 73 Cb 1.01 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2wub h THR 73 CO 0.49 0.13 -0.15 0.77 -0.25 0.00 0.00 175.52 176.52 2wub h SER 74 N 0.73 0.00 -0.02 5.36 4.64 -1.95 -0.64 113.55 121.67 2wub h SER 74 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2wub h SER 74 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2wub h SER 74 CO -0.11 0.15 -0.37 0.29 -0.87 0.00 0.00 176.83 175.92 2wub n LYS 75 N -4.02 1.46 -4.05 4.77 5.02 -0.63 -4.97 118.16 115.74 2wub n LYS 75 Ca -0.02 -1.14 -0.28 0.00 -2.02 0.00 0.00 58.31 54.85 2wub n LYS 75 Cb 0.23 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 2wub n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2wub n ASN 76 N 0.21 -0.50 -4.08 4.39 5.15 -0.03 -4.87 115.26 115.53 2wub n ASN 76 Ca 0.10 -1.05 -0.14 0.00 -0.60 0.00 0.00 54.58 52.89 2wub n ASN 76 Cb 0.47 -2.77 -0.11 0.00 -0.53 0.00 0.00 39.78 36.83 2wub n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wub s THR 77 N -3.94 0.62 0.11 -0.44 2.01 -1.08 -2.35 115.64 110.57 2wub s THR 77 Ca 0.10 -1.16 0.07 0.00 0.31 0.00 0.00 61.69 61.01 2wub s THR 77 Cb -0.06 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 2wub s THR 77 CO 0.91 -0.39 -0.06 0.00 -0.69 0.00 0.00 174.62 174.39 2wub s ALA 78 N -1.49 3.07 0.03 7.40 0.00 0.71 -1.05 121.76 130.43 2wub s ALA 78 Ca -0.08 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.69 2wub s ALA 78 Cb -0.09 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 2wub s ALA 78 CO 0.00 0.63 -0.13 0.71 0.00 0.00 0.00 175.76 176.98 2wub s TYR 79 N -1.33 1.11 -0.25 0.00 2.02 0.19 -0.14 117.35 118.94 2wub s TYR 79 Ca 0.23 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 2wub s TYR 79 Cb -0.11 -0.66 0.07 0.00 -0.40 0.00 0.00 41.96 40.85 2wub s TYR 79 CO 0.16 0.01 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.93 2wub s LEU 80 N -1.03 2.99 -0.30 -1.29 2.96 -0.16 -1.42 118.68 120.43 2wub s LEU 80 Ca 0.01 -1.34 -0.15 0.00 -0.22 0.00 0.00 54.13 52.42 2wub s LEU 80 Cb -0.07 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2wub s LEU 80 CO 0.01 -0.24 0.38 -1.58 -1.32 0.00 0.00 176.35 173.59 2wub s GLN 81 N 1.28 3.82 -0.25 1.98 2.00 0.44 -0.76 119.66 128.17 2wub s GLN 81 Ca -0.05 -0.15 -0.07 0.00 -2.00 0.00 0.00 55.36 53.10 2wub s GLN 81 Cb -0.19 -3.72 -0.02 0.00 0.80 0.00 0.00 33.01 29.87 2wub s GLN 81 CO -0.07 -0.40 0.05 -1.64 -0.50 0.00 0.00 175.29 172.73 2wub s MET 82 N 2.08 3.55 0.16 1.67 -1.94 -0.07 -0.87 119.30 123.89 2wub s MET 82 Ca 0.14 -0.54 0.10 0.00 -1.71 0.00 0.00 55.69 53.68 2wub s MET 82 Cb -0.16 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.38 2wub s MET 82 CO 0.11 -0.21 -0.22 -0.80 -0.01 0.00 0.00 175.02 173.89 2wub s ASN 82 N 1.58 3.06 -1.30 3.03 0.01 -0.84 -1.12 114.94 119.36 2wub s ASN 82 Ca 0.06 -0.83 -0.05 0.00 -0.71 0.00 0.00 52.86 51.33 2wub s ASN 82 Cb -0.15 -0.20 0.01 0.00 0.41 0.00 0.00 41.25 41.31 2wub s ASN 82 CO 0.02 0.07 1.07 -1.20 -1.51 0.00 0.00 177.10 175.55 2wub n SER 82 N 0.47 -4.18 -4.75 -1.22 7.64 -0.96 -4.57 113.62 106.05 2wub n SER 82 Ca -0.14 -0.60 -0.40 0.00 1.01 0.00 0.00 58.87 58.74 2wub n SER 82 Cb 0.56 -4.96 0.02 0.00 -1.01 0.00 0.00 64.21 58.82 2wub n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wub n LEU 82 N -4.58 5.15 -4.47 -3.43 4.77 -0.51 -4.60 117.00 109.33 2wub n LEU 82 Ca -0.13 1.09 -0.23 0.00 -0.03 0.00 0.00 56.01 56.71 2wub n LEU 82 Cb 0.61 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.00 2wub n LEU 82 CO 0.64 -0.28 -0.35 -0.13 -1.33 0.00 0.00 177.39 175.94 2wub s ARG 83 N -2.53 1.65 0.23 3.23 0.52 -1.26 0.67 118.95 121.46 2wub s ARG 83 Ca 0.63 -1.86 -0.07 0.00 -0.52 0.00 0.00 55.73 53.91 2wub s ARG 83 Cb -0.45 -1.25 0.21 0.00 0.52 0.00 0.00 34.95 33.99 2wub s ARG 83 CO 0.56 0.01 1.88 0.00 0.02 0.00 0.00 175.30 177.77 2wub h ALA 84 N 2.17 1.15 0.00 2.13 0.00 -1.96 -1.54 119.26 121.20 2wub h ALA 84 Ca -0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2wub h ALA 84 Cb 1.24 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2wub h ALA 84 CO 0.69 0.59 0.07 0.93 0.00 0.00 0.00 179.25 181.54 2wub h GLU 85 N 1.24 0.00 0.00 0.00 3.07 -1.96 0.37 114.58 117.29 2wub h GLU 85 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 2wub h GLU 85 Cb -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2wub h GLU 85 CO -0.06 0.00 -0.19 -0.25 -1.40 0.00 0.00 179.01 177.11 2wub n ASP 86 N -2.27 0.68 -4.69 1.42 8.00 -0.58 -4.83 116.55 114.27 2wub n ASP 86 Ca -0.01 0.41 -0.44 0.00 0.71 0.00 0.00 54.79 55.46 2wub n ASP 86 Cb 0.10 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 2wub n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2wub n THR 87 N -2.10 0.23 0.00 -3.53 -1.04 0.13 -4.89 114.28 103.08 2wub n THR 87 Ca 0.05 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2wub n THR 87 Cb 0.42 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 2wub n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wub n ALA 88 N 4.90 0.00 -2.66 2.41 0.00 0.27 -4.54 120.51 120.90 2wub n ALA 88 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 2wub n ALA 88 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 2wub n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wub s VAL 89 N -2.00 5.11 -0.27 0.00 1.01 -1.03 -0.86 120.40 122.36 2wub s VAL 89 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 2wub s VAL 89 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2wub s VAL 89 CO 0.00 0.17 0.17 -0.31 0.00 0.00 0.00 175.10 175.13 2wub s TYR 90 N 1.70 3.24 0.09 5.22 1.51 -0.15 -1.43 117.35 127.54 2wub s TYR 90 Ca 0.23 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.47 2wub s TYR 90 Cb -0.15 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 2wub s TYR 90 CO 0.09 -0.11 -0.06 0.71 -1.11 0.00 0.00 175.55 175.08 2wub s TYR 91 N 1.54 2.84 -0.07 2.71 2.02 0.12 -1.67 117.35 124.84 2wub s TYR 91 Ca 0.07 -0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.71 2wub s TYR 91 Cb -0.15 -1.48 -0.00 0.00 -0.40 0.00 0.00 41.96 39.93 2wub s TYR 91 CO 0.09 0.44 -0.21 0.00 -1.57 0.00 0.00 175.55 174.30 2wub s ALA 93 N 0.15 2.45 -0.03 0.00 0.00 0.09 -2.88 121.76 121.54 2wub s ALA 93 Ca -0.10 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.20 2wub s ALA 93 Cb -0.15 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2wub s ALA 93 CO 0.05 -0.36 -0.01 0.21 0.00 0.00 0.00 175.76 175.65 2wub s LYS 94 N -3.84 2.82 -0.31 0.00 2.20 -0.91 -0.31 119.74 119.39 2wub s LYS 94 Ca 0.32 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 2wub s LYS 94 Cb 0.06 -2.68 0.09 0.00 -1.51 0.00 0.00 37.83 33.78 2wub s LYS 94 CO 0.15 0.65 0.01 -0.46 -0.36 0.00 0.00 175.35 175.33 2wub s TRP 95 N -1.00 3.43 0.00 4.03 -0.11 -0.21 -2.14 118.94 122.94 2wub s TRP 95 Ca 0.17 -2.68 0.00 0.00 1.22 0.00 0.00 56.10 54.81 2wub s TRP 95 Cb -0.11 -2.52 0.00 0.00 -1.50 0.00 0.00 33.47 29.34 2wub s TRP 95 CO 0.07 -0.92 0.00 0.00 -4.62 0.00 0.00 176.95 171.48 2wub n ALA 97 N 4.36 3.00 -2.07 5.86 0.00 -1.26 -3.94 120.51 126.46 2wub n ALA 97 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 2wub n ALA 97 Cb 0.42 0.49 0.04 0.00 0.00 0.00 0.00 19.45 20.40 2wub n ALA 97 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wub s TRP 98 N -2.00 3.12 0.00 0.00 0.52 -1.26 -4.86 118.94 114.46 2wub s TRP 98 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 56.10 56.56 2wub s TRP 98 Cb 0.00 -2.77 0.00 0.00 -1.15 0.00 0.00 33.47 29.55 2wub s TRP 98 CO 0.00 -0.88 0.06 -2.30 0.02 0.00 0.00 176.95 173.85 2wub n PRO 99 N -2.54 0.04 -3.69 4.98 -0.02 -1.26 -4.61 135.00 127.90 2wub n PRO 99 Ca 0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.48 2wub n PRO 99 Cb 0.58 -1.48 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 2wub n PRO 99 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wub s ALA 100 N 1.51 -1.65 -0.47 3.55 0.00 -1.26 -5.12 121.76 118.32 2wub s ALA 100 Ca 0.00 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.99 2wub s ALA 100 Cb 0.00 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2wub s ALA 100 CO 0.00 -0.95 0.94 -0.06 0.00 0.00 0.00 175.76 175.68 2wub s PHE 100 N -3.33 2.91 -0.15 0.00 0.08 -1.26 -4.08 117.98 112.15 2wub s PHE 100 Ca 0.10 0.37 -0.11 0.00 0.12 0.00 0.00 56.93 57.41 2wub s PHE 100 Cb -0.02 -4.00 -0.24 0.00 -0.57 0.00 0.00 43.02 38.19 2wub s PHE 100 CO -0.00 -1.13 0.30 -0.40 -0.10 0.00 0.00 175.22 173.89 2wub n ASP 101 N 7.23 2.05 -4.30 1.36 5.75 -0.91 -4.85 116.55 122.88 2wub n ASP 101 Ca 0.06 0.26 -0.35 0.00 -0.01 0.00 0.00 54.79 54.75 2wub n ASP 101 Cb 0.48 -0.88 -0.14 0.00 -1.03 0.00 0.00 41.12 39.55 2wub n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2wub s TYR 102 N -2.50 2.97 0.12 2.11 2.02 -1.26 -4.97 117.35 115.84 2wub s TYR 102 Ca -0.25 -1.02 0.09 0.00 -0.37 0.00 0.00 57.07 55.52 2wub s TYR 102 Cb 0.07 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2wub s TYR 102 CO 0.71 -0.57 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.37 2wub s TRP 103 N 1.46 2.56 0.70 2.71 0.52 -1.26 -2.14 118.94 123.49 2wub s TRP 103 Ca 0.05 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 55.93 2wub s TRP 103 Cb -0.15 -1.35 0.14 0.00 -1.15 0.00 0.00 33.47 30.97 2wub s TRP 103 CO -0.03 0.40 0.97 0.41 0.02 0.00 0.00 176.95 178.71 2wub n GLY 104 N 0.72 0.78 0.00 0.98 0.00 -1.14 -4.76 105.19 101.77 2wub n GLY 104 Ca -0.15 -2.05 0.11 0.00 0.00 0.00 0.00 46.02 43.93 2wub n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wub n GLN 105 N -2.76 0.04 0.00 1.61 1.13 -1.26 -4.82 117.38 111.32 2wub n GLN 105 Ca 0.16 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 2wub n GLN 105 Cb 0.58 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.43 2wub n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wub n GLY 106 N 0.72 -1.79 2.86 1.08 0.00 -1.26 -5.00 105.19 101.81 2wub n GLY 106 Ca 0.06 -1.53 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 2wub n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wub s THR 107 N -2.46 0.17 0.02 2.61 -1.32 -0.67 -4.84 115.64 109.14 2wub s THR 107 Ca 0.00 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 2wub s THR 107 Cb 0.00 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 2wub s THR 107 CO 0.00 0.10 0.90 -0.22 -2.21 0.00 0.00 174.62 173.19 2wub s LEU 108 N 0.50 4.40 -0.14 9.08 2.96 -1.26 -0.97 118.68 133.24 2wub s LEU 108 Ca -0.05 1.58 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 2wub s LEU 108 Cb -0.07 -3.44 0.02 0.00 0.50 0.00 0.00 46.19 43.19 2wub s LEU 108 CO -0.01 -0.16 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.99 2wub s VAL 109 N 0.62 1.79 -0.15 1.68 1.01 -0.04 -2.34 120.40 122.97 2wub s VAL 109 Ca 0.47 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2wub s VAL 109 Cb -0.21 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2wub s VAL 109 CO 0.26 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.79 2wub s THR 110 N 1.09 2.40 -0.37 3.92 2.01 -0.51 -0.56 115.64 123.62 2wub s THR 110 Ca -0.02 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 2wub s THR 110 Cb -0.14 -1.99 0.08 0.00 0.01 0.00 0.00 72.50 70.45 2wub s THR 110 CO -0.06 0.53 0.13 -0.69 -0.69 0.00 0.00 174.62 173.84 2wub s VAL 111 N 0.85 3.32 -0.03 3.82 1.01 -1.26 -0.50 120.40 127.61 2wub s VAL 111 Ca -0.05 -1.67 -0.19 0.00 0.00 0.00 0.00 61.98 60.06 2wub s VAL 111 Cb -0.15 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.17 2wub s VAL 111 CO -0.02 -0.42 0.42 -0.55 0.00 0.00 0.00 175.10 174.53 2wub s SER 112 N 1.60 -0.33 0.03 3.32 0.15 0.02 -3.99 113.70 114.50 2wub s SER 112 Ca 0.02 0.31 0.27 0.00 0.70 0.00 0.00 55.95 57.25 2wub s SER 112 Cb -0.21 0.42 0.80 0.00 -1.71 0.00 0.00 66.02 65.31 2wub s SER 112 CO -0.02 -0.47 1.63 -1.54 1.20 0.00 0.00 173.24 174.05 2wub n SER 113 N 1.30 0.36 -4.75 5.45 3.41 -1.26 -3.71 113.62 114.41 2wub n SER 113 Ca -0.20 0.16 -0.32 0.00 -0.26 0.00 0.00 58.87 58.24 2wub n SER 113 Cb 0.56 -0.14 0.08 0.00 -0.26 0.00 0.00 64.21 64.45 2wub n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wub s ALA 114 N -3.03 2.25 0.41 7.33 0.00 -1.26 -5.02 121.76 122.45 2wub s ALA 114 Ca 0.12 0.53 0.08 0.00 0.00 0.00 0.00 51.96 52.68 2wub s ALA 114 Cb 0.17 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2wub s ALA 114 CO 0.63 -1.66 0.51 -1.54 0.00 0.00 0.00 175.76 173.70 2wub s SER 115 N -2.72 5.53 -0.50 0.00 1.04 -1.26 -4.99 113.70 110.80 2wub s SER 115 Ca 0.67 -0.48 -0.28 0.00 0.48 0.00 0.00 55.95 56.33 2wub s SER 115 Cb -0.21 -0.68 0.01 0.00 0.10 0.00 0.00 66.02 65.24 2wub s SER 115 CO 0.48 -0.71 1.38 -0.89 0.98 0.00 0.00 173.24 174.48 2wub s THR 116 N -2.37 3.88 -0.03 2.02 2.01 -1.26 -4.74 115.64 115.15 2wub s THR 116 Ca 0.52 0.83 0.03 0.00 0.31 0.00 0.00 61.69 63.39 2wub s THR 116 Cb -0.08 -4.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 2wub s THR 116 CO 0.32 -1.00 -0.10 -0.75 -0.69 0.00 0.00 174.62 172.39 2wub s LYS 117 N 5.17 2.54 0.66 4.92 2.20 -0.81 -4.94 119.74 129.48 2wub s LYS 117 Ca 0.55 -0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 55.35 2wub s LYS 117 Cb -0.11 -2.45 -0.01 0.00 -1.51 0.00 0.00 37.83 33.74 2wub s LYS 117 CO 0.29 0.62 1.05 0.20 -0.36 0.00 0.00 175.35 177.15 2wub s GLY 118 N -1.01 1.75 0.52 5.54 0.00 -1.26 -2.65 107.32 110.21 2wub s GLY 118 Ca 0.14 0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.80 2wub s GLY 118 CO 0.03 0.40 0.98 2.56 0.00 0.00 0.00 173.10 177.07 2wub s PRO 119 N -4.88 3.91 -0.11 2.90 0.04 -1.26 -4.47 135.00 131.14 2wub s PRO 119 Ca 0.58 0.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2wub s PRO 119 Cb -0.13 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2wub s PRO 119 CO 0.51 -0.28 -0.08 -1.12 0.04 0.00 0.00 177.00 176.07 2wub s SER 120 N -3.16 4.49 -0.32 6.66 0.01 -0.39 -4.94 113.70 116.04 2wub s SER 120 Ca 0.58 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.70 2wub s SER 120 Cb -0.10 -1.44 0.07 0.00 0.21 0.00 0.00 66.02 64.77 2wub s SER 120 CO 0.33 0.25 0.03 -0.69 0.41 0.00 0.00 173.24 173.58 2wub s VAL 121 N -0.16 2.81 -0.04 3.43 1.01 -1.26 0.17 120.40 126.36 2wub s VAL 121 Ca 0.02 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.26 2wub s VAL 121 Cb -0.13 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2wub s VAL 121 CO 0.03 -0.30 0.05 -0.36 0.00 0.00 0.00 175.10 174.52 2wub s PHE 122 N 1.15 3.26 0.16 5.22 0.08 -0.98 -4.89 117.98 121.98 2wub s PHE 122 Ca -0.00 0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.97 2wub s PHE 122 Cb -0.20 -1.77 -0.08 0.00 -0.57 0.00 0.00 43.02 40.40 2wub s PHE 122 CO -0.03 0.54 1.29 -1.25 -0.10 0.00 0.00 175.22 175.66 2wub s PRO 123 N -1.37 4.40 -1.37 0.24 0.04 -1.26 -1.23 135.00 134.46 2wub s PRO 123 Ca 0.19 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 2wub s PRO 123 Cb -0.12 -3.24 0.10 0.00 0.04 0.00 0.00 34.50 31.28 2wub s PRO 123 CO 0.09 -0.26 2.02 1.28 0.04 0.00 0.00 177.00 180.17 2wub n LEU 124 N 3.07 6.55 -2.37 -3.56 4.77 -0.33 -4.91 117.00 120.23 2wub n LEU 124 Ca 0.07 -4.33 -0.34 0.00 -0.03 0.00 0.00 56.01 51.39 2wub n LEU 124 Cb 0.44 -1.60 -0.06 0.00 -2.33 0.00 0.00 43.42 39.86 2wub n LEU 124 CO 0.57 1.11 0.89 0.00 -1.33 0.00 0.00 177.39 178.64 2wub n ALA 125 N 5.43 -0.03 -1.00 -1.18 0.00 -1.26 -4.09 120.51 118.38 2wub n ALA 125 Ca 0.46 0.13 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2wub n ALA 125 Cb 0.39 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2wub n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wub n PRO 126 N 3.76 2.30 0.00 0.00 -0.04 -1.26 -5.03 135.00 134.73 2wub n PRO 126 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2wub n PRO 126 Cb -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 2wub n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wub n GLY 134 N 3.53 0.23 3.15 0.55 0.00 -1.26 -4.96 105.19 106.44 2wub n GLY 134 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.08 2wub n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wub s THR 135 N 0.00 -0.97 0.61 2.61 -1.32 -1.26 -3.30 115.64 112.01 2wub s THR 135 Ca 0.00 -0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2wub s THR 135 Cb 0.00 -0.62 0.07 0.00 -1.51 0.00 0.00 72.50 70.44 2wub s THR 135 CO 0.00 -0.03 0.84 0.00 -2.21 0.00 0.00 174.62 173.22 2wub s ALA 136 N 2.42 3.95 0.01 11.08 0.00 -0.93 -4.88 121.76 133.41 2wub s ALA 136 Ca 0.12 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.52 2wub s ALA 136 Cb -0.08 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 2wub s ALA 136 CO -0.19 -0.99 -0.04 0.00 0.00 0.00 0.00 175.76 174.54 2wub s ALA 137 N -2.86 0.34 0.22 0.00 0.00 -1.26 -1.87 121.76 116.33 2wub s ALA 137 Ca 0.61 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 2wub s ALA 137 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2wub s ALA 137 CO 0.40 0.04 0.46 -0.48 0.00 0.00 0.00 175.76 176.18 2wub s LEU 138 N -0.48 0.36 0.00 0.00 0.05 -1.17 -4.46 118.68 112.97 2wub s LEU 138 Ca -0.02 -0.80 -0.03 0.00 0.05 0.00 0.00 54.13 53.33 2wub s LEU 138 Cb -0.04 1.79 0.01 0.00 -2.05 0.00 0.00 46.19 45.90 2wub s LEU 138 CO -0.00 -1.08 0.15 0.61 -0.55 0.00 0.00 176.35 175.48 2wub n GLY 139 N -0.34 0.67 3.44 -3.48 0.00 -1.26 -1.43 105.19 102.80 2wub n GLY 139 Ca -0.05 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 2wub n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wub s LEU 141 N -0.92 5.36 -0.76 0.00 2.96 -0.36 -1.82 118.68 123.13 2wub s LEU 141 Ca 0.12 -2.82 -0.26 0.00 -0.22 0.00 0.00 54.13 50.95 2wub s LEU 141 Cb -0.10 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.73 2wub s LEU 141 CO 0.02 -0.39 1.41 -0.69 -1.32 0.00 0.00 176.35 175.38 2wub s VAL 142 N -0.02 3.68 0.17 1.68 1.01 0.13 -2.32 120.40 124.74 2wub s VAL 142 Ca 0.17 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.44 2wub s VAL 142 Cb -0.20 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.38 2wub s VAL 142 CO -0.04 -1.70 -0.13 -0.75 0.00 0.00 0.00 175.10 172.48 2wub s LYS 143 N 5.88 1.92 -0.81 2.72 2.20 0.13 -0.33 119.74 131.45 2wub s LYS 143 Ca 0.42 -1.30 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 2wub s LYS 143 Cb -0.08 -2.10 -0.00 0.00 -1.51 0.00 0.00 37.83 34.14 2wub s LYS 143 CO 0.12 0.44 0.67 -0.25 -0.36 0.00 0.00 175.35 175.97 2wub n ASP 144 N 0.21 -6.33 -4.18 1.43 8.00 -0.78 -1.27 116.55 113.64 2wub n ASP 144 Ca -0.12 -0.54 -0.15 0.00 0.71 0.00 0.00 54.79 54.69 2wub n ASP 144 Cb 0.55 -3.60 -0.11 0.00 -0.02 0.00 0.00 41.12 37.94 2wub n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2wub s TYR 145 N -3.04 1.11 -0.28 1.24 1.13 -0.94 -4.41 117.35 112.16 2wub s TYR 145 Ca 0.04 -0.60 -0.20 0.00 -1.41 0.00 0.00 57.07 54.90 2wub s TYR 145 Cb -0.01 -0.61 0.10 0.00 -1.10 0.00 0.00 41.96 40.34 2wub s TYR 145 CO 0.82 0.02 0.84 0.12 -2.51 0.00 0.00 175.55 174.85 2wub s PHE 146 N -2.12 -0.75 0.00 -3.49 2.19 -1.08 -1.07 117.98 111.65 2wub s PHE 146 Ca 0.03 1.64 0.00 0.00 0.33 0.00 0.00 56.93 58.94 2wub s PHE 146 Cb -0.05 0.42 0.00 0.00 -1.31 0.00 0.00 43.02 42.08 2wub s PHE 146 CO 0.01 -0.37 0.00 -0.35 1.83 0.00 0.00 175.22 176.34 2wub n PRO 147 N 3.27 3.69 -3.13 10.12 -0.04 -1.26 -1.93 135.00 145.73 2wub n PRO 147 Ca -0.16 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.05 2wub n PRO 147 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 2wub n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wub s GLU 148 N 3.13 3.48 0.09 0.54 0.41 -1.26 -4.81 118.70 120.28 2wub s GLU 148 Ca 0.00 -0.18 0.01 0.00 -0.41 0.00 0.00 54.97 54.39 2wub s GLU 148 Cb 0.00 -2.57 0.01 0.00 -1.78 0.00 0.00 34.13 29.79 2wub s GLU 148 CO 0.00 0.01 0.08 -0.35 -0.49 0.00 0.00 175.26 174.52 2wub n PRO 149 N -1.95 1.24 -3.74 0.39 -0.04 -1.26 -4.91 135.00 124.73 2wub n PRO 149 Ca -0.03 -0.54 -0.19 0.00 -0.04 0.00 0.00 63.50 62.71 2wub n PRO 149 Cb 0.56 0.03 -0.17 0.00 -0.04 0.00 0.00 33.50 33.88 2wub n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wub s VAL 150 N -0.18 -0.01 0.14 0.52 1.01 -1.26 -4.56 120.40 116.06 2wub s VAL 150 Ca 0.06 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 2wub s VAL 150 Cb -0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 2wub s VAL 150 CO 0.04 0.16 0.64 -0.89 0.00 0.00 0.00 175.10 175.06 2wub s THR 151 N 1.73 4.65 -0.19 3.92 2.01 -0.58 -4.91 115.64 122.27 2wub s THR 151 Ca -0.00 1.25 -0.04 0.00 0.31 0.00 0.00 61.69 63.21 2wub s THR 151 Cb -0.12 -3.90 0.09 0.00 0.01 0.00 0.00 72.50 68.57 2wub s THR 151 CO -0.03 0.40 0.22 -0.69 -0.69 0.00 0.00 174.62 173.82 2wub s VAL 152 N -1.29 -0.32 0.25 3.82 1.01 -1.26 -0.08 120.40 122.53 2wub s VAL 152 Ca 0.36 -0.04 0.12 0.00 0.00 0.00 0.00 61.98 62.41 2wub s VAL 152 Cb -0.19 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 2wub s VAL 152 CO 0.21 -0.15 -0.21 -0.94 0.00 0.00 0.00 175.10 174.01 2wub s SER 153 N 2.33 3.51 -0.04 3.32 1.04 -1.08 -4.91 113.70 117.86 2wub s SER 153 Ca 0.06 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2wub s SER 153 Cb -0.15 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 2wub s SER 153 CO -0.11 0.06 -0.02 0.26 0.98 0.00 0.00 173.24 174.41 2wub s TRP 154 N -2.25 3.05 -1.85 5.02 0.52 -1.26 0.20 118.94 122.37 2wub s TRP 154 Ca 0.27 0.09 -0.23 0.00 0.02 0.00 0.00 56.10 56.24 2wub s TRP 154 Cb -0.06 -1.71 0.23 0.00 -1.15 0.00 0.00 33.47 30.79 2wub s TRP 154 CO 0.13 0.42 0.58 0.09 0.02 0.00 0.00 176.95 178.20 2wub n ASN 155 N 1.84 -1.77 -3.77 2.95 3.02 0.15 -0.23 115.26 117.45 2wub n ASN 155 Ca -0.17 -1.23 -0.26 0.00 -0.03 0.00 0.00 54.58 52.89 2wub n ASN 155 Cb 0.53 -1.57 0.04 0.00 -0.61 0.00 0.00 39.78 38.17 2wub n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wub n SER 156 N -2.41 -4.05 0.00 6.41 7.64 -1.26 -2.15 113.62 117.80 2wub n SER 156 Ca 0.11 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.26 2wub n SER 156 Cb 0.44 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 2wub n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wub n GLY 157 N -1.69 1.03 0.24 0.23 0.00 0.68 -4.92 105.19 100.76 2wub n GLY 157 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2wub n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wub h ALA 158 N 0.00 0.63 -2.57 4.61 0.00 -1.32 -3.38 119.26 117.24 2wub h ALA 158 Ca 0.00 -0.26 -0.74 0.00 0.00 0.00 0.00 54.91 53.91 2wub h ALA 158 Cb 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 17.79 17.33 2wub h ALA 158 CO 0.00 0.41 -0.29 -1.17 0.00 0.00 0.00 179.25 178.20 2wub s LEU 159 N -9.44 5.90 -0.17 0.00 2.96 -1.19 -4.88 118.68 111.87 2wub s LEU 159 Ca -0.13 -2.05 -0.03 0.00 -0.22 0.00 0.00 54.13 51.71 2wub s LEU 159 Cb 0.11 -2.07 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 2wub s LEU 159 CO 0.81 -0.69 -0.18 0.35 -1.32 0.00 0.00 176.35 175.31 2wub n THR 160 N 4.77 0.95 -2.12 3.68 -2.24 -1.26 -4.22 114.28 113.85 2wub n THR 160 Ca -0.06 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 2wub n THR 160 Cb 0.41 -1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.25 2wub n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wub s SER 161 N -6.02 6.78 0.00 3.42 0.01 -1.26 -2.75 113.70 113.88 2wub s SER 161 Ca -0.23 2.45 0.00 0.00 1.31 0.00 0.00 55.95 59.48 2wub s SER 161 Cb 0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2wub s SER 161 CO 0.35 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2wub n GLY 162 N 3.02 1.61 3.69 3.44 0.00 -1.26 -4.89 105.19 110.79 2wub n GLY 162 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2wub n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wub s VAL 163 N -2.51 4.79 -0.54 1.61 1.01 -1.11 -3.75 120.40 119.92 2wub s VAL 163 Ca 0.00 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.05 2wub s VAL 163 Cb 0.00 -4.31 0.14 0.00 0.00 0.00 0.00 36.38 32.21 2wub s VAL 163 CO 0.00 0.02 0.30 -1.00 0.00 0.00 0.00 175.10 174.42 2wub s HIS 164 N 1.94 2.91 -0.58 5.22 3.76 -0.26 -4.98 115.29 123.30 2wub s HIS 164 Ca 0.48 -3.01 -0.27 0.00 -0.15 0.00 0.00 55.06 52.11 2wub s HIS 164 Cb -0.18 -2.52 0.03 0.00 1.11 0.00 0.00 32.58 31.02 2wub s HIS 164 CO 0.18 -0.71 1.14 0.99 -0.85 0.00 0.00 174.74 175.49 2wub s THR 165 N -0.37 4.08 0.83 1.30 2.01 -1.26 -2.65 115.64 119.57 2wub s THR 165 Ca 0.19 0.73 -0.11 0.00 0.31 0.00 0.00 61.69 62.81 2wub s THR 165 Cb -0.20 -4.70 0.09 0.00 0.01 0.00 0.00 72.50 67.69 2wub s THR 165 CO -0.04 -1.33 1.09 -0.36 -0.69 0.00 0.00 174.62 173.29 2wub s PHE 166 N 4.78 2.48 0.86 4.92 0.40 -0.19 -4.98 117.98 126.27 2wub s PHE 166 Ca 0.40 1.41 -0.11 0.00 -0.60 0.00 0.00 56.93 58.02 2wub s PHE 166 Cb -0.09 -3.09 0.11 0.00 0.51 0.00 0.00 43.02 40.46 2wub s PHE 166 CO 0.23 -2.04 1.09 -2.14 0.70 0.00 0.00 175.22 173.06 2wub s PRO 167 N -4.93 1.51 0.42 0.24 0.02 -1.26 -4.52 135.00 126.49 2wub s PRO 167 Ca 0.62 0.85 -0.24 0.00 0.02 0.00 0.00 61.00 62.24 2wub s PRO 167 Cb -0.17 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 2wub s PRO 167 CO 0.56 -2.07 1.19 0.00 -0.33 0.00 0.00 177.00 176.35 2wub s ALA 168 N -2.96 3.10 -0.21 -1.55 0.00 -1.26 -4.66 121.76 114.22 2wub s ALA 168 Ca 0.63 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 53.58 2wub s ALA 168 Cb -0.17 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.57 2wub s ALA 168 CO 0.56 -0.62 -0.13 0.08 0.00 0.00 0.00 175.76 175.66 2wub s VAL 169 N -1.44 2.53 -0.44 0.00 1.01 0.11 -4.91 120.40 117.27 2wub s VAL 169 Ca 0.59 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 2wub s VAL 169 Cb -0.31 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 2wub s VAL 169 CO 0.39 0.39 1.59 -0.22 0.00 0.00 0.00 175.10 177.25 2wub s LEU 170 N 1.32 3.49 1.08 3.92 2.96 -1.26 -2.17 118.68 128.02 2wub s LEU 170 Ca 0.03 0.83 -0.17 0.00 -0.22 0.00 0.00 54.13 54.60 2wub s LEU 170 Cb -0.15 -3.33 0.23 0.00 0.50 0.00 0.00 46.19 43.45 2wub s LEU 170 CO -0.08 -1.68 1.18 -1.10 -1.32 0.00 0.00 176.35 173.34 2wub s GLN 171 N 5.52 -0.25 0.34 1.98 -0.21 -0.77 -4.96 119.66 121.33 2wub s GLN 171 Ca 0.66 -0.09 0.18 0.00 0.02 0.00 0.00 55.36 56.13 2wub s GLN 171 Cb -0.16 -1.71 0.28 0.00 1.00 0.00 0.00 33.01 32.41 2wub s GLN 171 CO 0.30 -3.06 1.55 0.66 -2.12 0.00 0.00 175.29 172.62 2wub h SER 172 N -2.11 0.00 0.00 5.90 4.64 -1.94 -3.00 113.55 117.03 2wub h SER 172 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2wub h SER 172 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2wub h SER 172 CO 0.41 0.34 0.00 -1.54 -0.87 0.00 0.00 176.83 175.17 2wub n SER 173 N -3.23 0.00 0.00 4.97 3.41 -1.26 -4.83 113.62 112.69 2wub n SER 173 Ca 0.02 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2wub n SER 173 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2wub n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wub n GLY 174 N 0.30 2.90 3.89 5.00 0.00 -1.13 -5.00 105.19 111.14 2wub n GLY 174 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2wub n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wub s LEU 175 N 0.00 4.24 0.67 0.99 1.02 -1.26 -4.84 118.68 119.50 2wub s LEU 175 Ca 0.00 0.72 -0.07 0.00 0.02 0.00 0.00 54.13 54.80 2wub s LEU 175 Cb 0.00 -3.40 0.04 0.00 0.02 0.00 0.00 46.19 42.85 2wub s LEU 175 CO 0.00 0.02 0.99 -0.31 0.02 0.00 0.00 176.35 177.07 2wub s TYR 176 N -1.68 3.07 -0.28 0.29 2.02 -0.24 -1.84 117.35 118.68 2wub s TYR 176 Ca 0.42 0.58 -0.18 0.00 -0.37 0.00 0.00 57.07 57.52 2wub s TYR 176 Cb -0.12 -3.04 0.12 0.00 -0.40 0.00 0.00 41.96 38.51 2wub s TYR 176 CO 0.23 -1.21 0.87 0.45 -1.57 0.00 0.00 175.55 174.32 2wub s SER 177 N -4.43 -0.66 0.11 2.29 0.15 -0.92 -1.87 113.70 108.36 2wub s SER 177 Ca 0.58 1.10 -0.02 0.00 0.70 0.00 0.00 55.95 58.31 2wub s SER 177 Cb -0.11 1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 2wub s SER 177 CO 0.46 -0.18 0.05 -1.48 1.20 0.00 0.00 173.24 173.29 2wub s LEU 178 N 1.23 1.91 -0.00 3.45 0.05 0.56 0.08 118.68 125.96 2wub s LEU 178 Ca -0.07 -1.10 0.04 0.00 0.05 0.00 0.00 54.13 53.05 2wub s LEU 178 Cb -0.04 0.36 -0.01 0.00 -2.05 0.00 0.00 46.19 44.45 2wub s LEU 178 CO -0.14 -0.70 -0.13 -0.44 -0.55 0.00 0.00 176.35 174.38 2wub s SER 179 N -3.00 1.52 -0.12 1.48 0.01 -1.26 -0.69 113.70 111.64 2wub s SER 179 Ca 0.18 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2wub s SER 179 Cb 0.07 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.16 2wub s SER 179 CO -0.02 0.14 -0.20 -0.55 0.41 0.00 0.00 173.24 173.02 2wub s SER 180 N -0.44 2.83 0.44 2.44 0.15 -0.75 -1.02 113.70 117.35 2wub s SER 180 Ca 0.04 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.20 2wub s SER 180 Cb -0.05 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.92 2wub s SER 180 CO -0.00 0.07 0.03 0.68 1.20 0.00 0.00 173.24 175.21 2wub s VAL 181 N 0.79 1.39 -0.30 4.45 -7.23 -1.08 -0.76 120.40 117.66 2wub s VAL 181 Ca -0.09 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.93 2wub s VAL 181 Cb -0.16 -2.55 0.16 0.00 0.56 0.00 0.00 36.38 34.39 2wub s VAL 181 CO 0.00 0.00 0.96 0.54 -0.31 0.00 0.00 175.10 176.29 2wub s VAL 182 N -2.90 -0.46 -0.15 1.32 0.11 -0.52 -1.10 120.40 116.70 2wub s VAL 182 Ca 0.22 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.06 2wub s VAL 182 Cb 0.05 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2wub s VAL 182 CO 0.11 0.00 0.60 0.42 -3.33 0.00 0.00 175.10 172.90 2wub s THR 183 N 2.31 5.07 0.05 5.04 -4.23 -1.25 -3.04 115.64 119.59 2wub s THR 183 Ca -0.04 1.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.65 2wub s THR 183 Cb -0.06 -3.93 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 2wub s THR 183 CO -0.17 0.19 -0.06 0.68 -0.54 0.00 0.00 174.62 174.72 2wub s VAL 184 N 1.37 0.45 0.19 2.29 -7.23 -0.78 -4.89 120.40 111.80 2wub s VAL 184 Ca 0.29 -1.20 -0.33 0.00 -1.81 0.00 0.00 61.98 58.94 2wub s VAL 184 Cb -0.16 -0.73 -0.14 0.00 0.56 0.00 0.00 36.38 35.90 2wub s VAL 184 CO 0.12 -0.51 1.38 -2.65 -0.31 0.00 0.00 175.10 173.13 2wub n PRO 185 N 1.21 1.76 0.25 4.82 -0.02 -1.26 -2.19 135.00 139.58 2wub n PRO 185 Ca -0.21 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.06 2wub n PRO 185 Cb 0.56 -2.27 0.87 0.00 -0.02 0.00 0.00 33.50 32.64 2wub n PRO 185 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2wub h SER 186 N 4.38 0.00 0.35 2.55 0.02 -1.89 -2.77 113.55 116.19 2wub h SER 186 Ca -0.45 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2wub h SER 186 Cb 1.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 2wub h SER 186 CO 0.77 0.00 -0.52 0.77 -1.14 0.00 0.00 176.83 176.71 2wub h SER 187 N 0.00 -1.49 -0.94 3.07 4.64 -1.88 -2.80 113.55 114.15 2wub h SER 187 Ca 0.05 0.14 -0.58 0.00 -0.47 0.00 0.00 61.79 60.92 2wub h SER 187 Cb 0.27 0.52 -0.13 0.00 -0.31 0.00 0.00 62.40 62.75 2wub h SER 187 CO -0.00 -0.63 1.39 -1.54 -0.87 0.00 0.00 176.83 175.18 2wub n SER 188 N -5.53 7.17 -0.22 4.97 3.41 -1.04 -4.16 113.62 118.22 2wub n SER 188 Ca -0.11 -3.07 0.05 0.00 -0.26 0.00 0.00 58.87 55.48 2wub n SER 188 Cb 0.45 -1.32 -0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2wub n SER 188 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2wub n LEU 189 N 1.55 1.18 0.00 1.04 0.00 -1.06 -4.29 117.00 115.42 2wub n LEU 189 Ca 0.56 -0.76 0.00 0.00 0.00 0.00 0.00 56.01 55.81 2wub n LEU 189 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 2wub n LEU 189 CO 0.49 0.24 -0.12 0.61 0.00 0.00 0.00 177.39 178.61 2wub n GLY 190 N 0.87 0.46 1.03 -3.96 0.00 -1.26 -4.73 105.19 97.60 2wub n GLY 190 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2wub n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wub n THR 191 N -0.58 0.60 -3.92 2.61 -2.24 -1.26 -4.92 114.28 104.57 2wub n THR 191 Ca 0.00 -0.80 -0.13 0.00 -2.27 0.00 0.00 64.05 60.85 2wub n THR 191 Cb 0.00 0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 2wub n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2wub s GLN 192 N -1.28 0.09 -0.24 -0.78 2.00 -1.26 -5.07 119.66 113.12 2wub s GLN 192 Ca 0.35 -0.01 -0.10 0.00 -2.00 0.00 0.00 55.36 53.59 2wub s GLN 192 Cb 0.20 -0.12 -0.05 0.00 0.80 0.00 0.00 33.01 33.84 2wub s GLN 192 CO 0.27 -0.00 0.15 0.95 -0.50 0.00 0.00 175.29 176.17 2wub s THR 193 N 0.12 5.30 -0.16 -0.34 -4.23 -1.26 -4.79 115.64 110.29 2wub s THR 193 Ca -0.01 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2wub s THR 193 Cb -0.02 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 2wub s THR 193 CO -0.00 0.35 0.00 -0.31 -0.54 0.00 0.00 174.62 174.11 2wub s TYR 194 N 1.08 3.12 -0.13 3.99 2.02 -1.26 -5.00 117.35 121.16 2wub s TYR 194 Ca 0.07 -0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.60 2wub s TYR 194 Cb -0.14 -1.99 0.06 0.00 -0.40 0.00 0.00 41.96 39.50 2wub s TYR 194 CO 0.05 0.08 0.28 0.42 -1.57 0.00 0.00 175.55 174.80 2wub s ILE 195 N 0.25 -0.32 0.14 2.71 1.01 -1.26 -4.93 121.20 118.80 2wub s ILE 195 Ca -0.00 0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.69 2wub s ILE 195 Cb -0.13 -0.46 -0.07 0.00 0.01 0.00 0.00 42.46 41.81 2wub s ILE 195 CO 0.02 0.10 0.62 0.00 0.00 0.00 0.00 174.94 175.67 2wub s ASN 197 N -1.44 6.98 0.24 0.00 0.02 0.53 -2.83 114.94 118.44 2wub s ASN 197 Ca 0.36 -3.24 -0.30 0.00 -1.02 0.00 0.00 52.86 48.66 2wub s ASN 197 Cb -0.18 -2.18 -0.09 0.00 0.02 0.00 0.00 41.25 38.82 2wub s ASN 197 CO 0.20 -0.39 1.14 -0.69 0.02 0.00 0.00 177.10 177.38 2wub s VAL 198 N -0.70 3.51 0.02 1.60 1.01 -0.94 -2.62 120.40 122.29 2wub s VAL 198 Ca 0.25 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.66 2wub s VAL 198 Cb -0.10 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2wub s VAL 198 CO -0.08 0.30 -0.05 0.21 0.00 0.00 0.00 175.10 175.48 2wub s ASN 199 N -0.48 0.48 -0.43 3.32 2.47 0.89 -2.79 114.94 118.41 2wub s ASN 199 Ca 0.48 -0.33 0.06 0.00 0.42 0.00 0.00 52.86 53.48 2wub s ASN 199 Cb -0.32 0.02 0.17 0.00 -1.45 0.00 0.00 41.25 39.67 2wub s ASN 199 CO 0.40 -0.13 0.55 -2.28 -3.72 0.00 0.00 177.10 171.92 2wub s HIS 200 N -0.86 -1.00 0.20 0.43 5.65 -0.04 -1.53 115.29 118.15 2wub s HIS 200 Ca -0.07 -0.53 -0.11 0.00 0.25 0.00 0.00 55.06 54.61 2wub s HIS 200 Cb -0.06 -0.02 0.24 0.00 -1.18 0.00 0.00 32.58 31.56 2wub s HIS 200 CO -0.00 -1.11 1.73 0.87 -0.65 0.00 0.00 174.74 175.58 2wub h LYS 201 N 6.40 0.30 -0.83 2.88 1.57 -1.80 -0.80 116.57 124.29 2wub h LYS 201 Ca 0.07 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.02 2wub h LYS 201 Cb 1.10 -0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.19 2wub h LYS 201 CO 0.13 0.20 -0.08 -1.35 -0.57 0.00 0.00 179.45 177.78 2wub h PRO 202 N 0.31 0.04 -0.31 3.15 0.11 -1.91 0.19 132.00 133.58 2wub h PRO 202 Ca 0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2wub h PRO 202 Cb 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2wub h PRO 202 CO -0.33 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 176.36 2wub n SER 203 N -5.45 3.28 -2.61 -2.05 3.41 -1.13 -4.95 113.62 104.12 2wub n SER 203 Ca 0.15 -1.98 -0.21 0.00 -0.26 0.00 0.00 58.87 56.57 2wub n SER 203 Cb 0.50 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2wub n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wub n ASN 204 N 1.41 -5.84 -4.79 4.04 4.05 0.67 -4.83 115.26 109.96 2wub n ASN 204 Ca 0.18 -0.10 -0.38 0.00 0.45 0.00 0.00 54.58 54.74 2wub n ASN 204 Cb 0.59 -4.82 -0.06 0.00 1.23 0.00 0.00 39.78 36.72 2wub n ASN 204 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2wub s THR 205 N -3.06 5.11 -0.40 -0.44 2.01 -0.47 -4.97 115.64 113.41 2wub s THR 205 Ca 0.10 0.83 0.05 0.00 0.31 0.00 0.00 61.69 62.98 2wub s THR 205 Cb -0.05 -3.73 0.19 0.00 0.01 0.00 0.00 72.50 68.93 2wub s THR 205 CO 0.13 0.49 0.39 1.17 -0.69 0.00 0.00 174.62 176.10 2wub n LYS 206 N 2.54 0.33 -3.23 4.92 4.81 -1.26 -0.86 118.16 125.41 2wub n LYS 206 Ca -0.12 -3.18 -0.29 0.00 -0.87 0.00 0.00 58.31 53.85 2wub n LYS 206 Cb 0.52 -1.54 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 2wub n LYS 206 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wub s VAL 207 N -0.29 4.97 0.34 3.15 1.01 -1.12 -5.00 120.40 123.46 2wub s VAL 207 Ca 0.34 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.54 2wub s VAL 207 Cb 0.08 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2wub s VAL 207 CO -0.17 -0.36 0.11 -1.81 0.00 0.00 0.00 175.10 172.86 2wub s ASP 208 N -3.15 2.13 0.00 3.32 1.11 -1.26 -2.21 116.67 116.61 2wub s ASP 208 Ca 0.46 -1.51 0.00 0.00 0.18 0.00 0.00 52.55 51.67 2wub s ASP 208 Cb -0.11 0.25 0.00 0.00 1.07 0.00 0.00 42.92 44.13 2wub s ASP 208 CO 0.30 -0.79 0.00 1.17 1.18 0.00 0.00 175.17 177.03