#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj s VAL 4 N 0.00 3.73 0.10 3.15 0.11 -1.26 -4.13 120.40 122.11 2wrj s VAL 4 Ca 0.00 -1.48 -0.30 0.00 -2.93 0.00 0.00 61.98 57.27 2wrj s VAL 4 Cb 0.00 -2.90 -0.06 0.00 -1.53 0.00 0.00 36.38 31.89 2wrj s VAL 4 CO 0.00 -0.15 1.02 0.00 -3.33 0.00 0.00 175.10 172.64 2wrj h GLU 6 N 5.78 0.00 0.00 0.00 5.08 -1.85 0.45 114.58 124.04 2wrj h GLU 6 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2wrj h GLU 6 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2wrj h GLU 6 CO 0.73 0.13 -0.12 -0.89 -1.00 0.00 0.00 179.01 177.86 2wrj n ILE 7 N -3.37 0.25 0.62 3.13 -0.00 -1.26 -4.64 119.36 114.08 2wrj n ILE 7 Ca -0.00 0.33 0.08 0.00 -0.00 0.00 0.00 62.75 63.15 2wrj n ILE 7 Cb 0.33 -1.48 0.36 0.00 -0.00 0.00 0.00 39.64 38.84 2wrj n ILE 7 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2wrj n SER 8 N -2.79 0.00 -0.44 4.38 3.41 -1.26 -4.85 113.62 112.06 2wrj n SER 8 Ca -0.02 0.31 -0.04 0.00 -0.26 0.00 0.00 58.87 58.86 2wrj n SER 8 Cb 0.06 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 2wrj n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrj n GLY 9 N 0.06 0.39 3.75 5.00 0.00 0.15 -4.87 105.19 109.67 2wrj n GLY 9 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2wrj n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s LYS 10 N -1.80 2.77 0.11 1.61 1.02 -1.26 -4.32 119.74 117.87 2wrj s LYS 10 Ca 0.00 1.62 -0.10 0.00 0.02 0.00 0.00 55.97 57.51 2wrj s LYS 10 Cb 0.00 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2wrj s LYS 10 CO 0.00 -1.31 0.24 -0.98 -0.92 0.00 0.00 175.35 172.37 2wrj s ARG 11 N -3.73 0.93 0.41 1.68 1.70 -1.26 0.11 118.95 118.78 2wrj s ARG 11 Ca 0.72 -0.95 -0.25 0.00 -0.47 0.00 0.00 55.73 54.78 2wrj s ARG 11 Cb -0.25 0.37 -0.11 0.00 -0.57 0.00 0.00 34.95 34.39 2wrj s ARG 11 CO 0.38 -0.31 1.14 -0.35 -1.08 0.00 0.00 175.30 175.08 2wrj n PRO 12 N -0.11 1.65 -4.19 3.89 -0.04 -1.26 -4.70 135.00 130.24 2wrj n PRO 12 Ca -0.14 0.59 -0.16 0.00 -0.04 0.00 0.00 63.50 63.74 2wrj n PRO 12 Cb 0.63 -2.19 -0.11 0.00 -0.04 0.00 0.00 33.50 31.78 2wrj n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wrj s ILE 13 N -1.21 1.10 0.24 0.52 -4.36 -0.35 -4.96 121.20 112.17 2wrj s ILE 13 Ca 0.61 -1.59 -0.19 0.00 -0.26 0.00 0.00 60.65 59.23 2wrj s ILE 13 Cb -0.55 -1.34 -0.08 0.00 1.25 0.00 0.00 42.46 41.74 2wrj s ILE 13 CO 0.58 -0.44 0.72 -0.69 0.24 0.00 0.00 174.94 175.35 2wrj s VAL 14 N -2.08 4.59 0.20 8.37 1.01 -1.26 -0.17 120.40 131.06 2wrj s VAL 14 Ca 0.05 1.21 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 2wrj s VAL 14 Cb -0.05 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2wrj s VAL 14 CO 0.02 0.13 0.28 0.00 0.00 0.00 0.00 175.10 175.52 2wrj n ALA 15 N 0.51 -0.20 -2.46 5.51 0.00 -0.02 -4.87 120.51 118.97 2wrj n ALA 15 Ca -0.01 -0.90 -0.23 0.00 0.00 0.00 0.00 53.44 52.30 2wrj n ALA 15 Cb 0.51 0.72 -0.10 0.00 0.00 0.00 0.00 19.45 20.58 2wrj n ALA 15 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wrj s ASN 16 N -2.21 3.12 -0.35 0.00 0.01 -1.26 -1.69 114.94 112.56 2wrj s ASN 16 Ca 0.16 -1.17 0.04 0.00 -0.71 0.00 0.00 52.86 51.17 2wrj s ASN 16 Cb -0.01 -0.23 0.10 0.00 0.41 0.00 0.00 41.25 41.52 2wrj s ASN 16 CO 0.11 -0.26 0.07 -0.55 -1.51 0.00 0.00 177.10 174.96 2wrj s SER 17 N -3.49 4.67 -0.06 -1.22 0.15 0.14 -4.89 113.70 109.00 2wrj s SER 17 Ca 0.30 -2.18 -0.27 0.00 0.70 0.00 0.00 55.95 54.50 2wrj s SER 17 Cb 0.03 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 2wrj s SER 17 CO 0.13 -0.37 0.85 -0.63 1.20 0.00 0.00 173.24 174.43 2wrj s ILE 18 N 0.87 4.93 -0.26 6.45 1.09 -1.26 -3.27 121.20 129.74 2wrj s ILE 18 Ca 0.11 1.76 -0.04 0.00 -1.10 0.00 0.00 60.65 61.38 2wrj s ILE 18 Cb -0.19 -4.19 0.01 0.00 -1.06 0.00 0.00 42.46 37.03 2wrj s ILE 18 CO -0.09 0.16 0.00 -1.10 -0.10 0.00 0.00 174.94 173.82 2wrj s GLN 19 N 1.17 3.05 0.29 2.79 -1.52 -1.26 -5.02 119.66 119.16 2wrj s GLN 19 Ca 0.44 -0.86 0.11 0.00 -1.95 0.00 0.00 55.36 53.10 2wrj s GLN 19 Cb -0.19 -3.16 -0.05 0.00 -0.22 0.00 0.00 33.01 29.39 2wrj s GLN 19 CO 0.21 -0.38 -0.15 1.03 -0.25 0.00 0.00 175.29 175.75 2wrj s ARG 20 N 1.43 1.69 0.02 2.91 0.52 -1.26 0.21 118.95 124.46 2wrj s ARG 20 Ca 0.02 -1.81 -0.07 0.00 -0.52 0.00 0.00 55.73 53.35 2wrj s ARG 20 Cb -0.16 -1.66 -0.00 0.00 0.52 0.00 0.00 34.95 33.64 2wrj s ARG 20 CO -0.01 0.24 0.14 1.03 0.02 0.00 0.00 175.30 176.72 2wrj s ARG 21 N -3.57 0.55 0.00 3.54 0.52 -0.70 -4.92 118.95 114.38 2wrj s ARG 21 Ca 0.30 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2wrj s ARG 21 Cb -0.02 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.68 2wrj s ARG 21 CO 0.15 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.74 2wrj n GLY 22 N 1.15 2.71 3.72 -3.53 0.00 -1.26 -1.18 105.19 106.80 2wrj n GLY 22 Ca -0.21 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2wrj n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s LYS 23 N -4.30 4.21 1.17 1.61 1.02 -1.24 -4.57 119.74 117.63 2wrj s LYS 23 Ca 0.00 2.39 -0.17 0.00 0.02 0.00 0.00 55.97 58.21 2wrj s LYS 23 Cb 0.00 -3.13 0.20 0.00 -0.52 0.00 0.00 37.83 34.38 2wrj s LYS 23 CO 0.00 -0.60 0.41 0.00 -0.92 0.00 0.00 175.35 174.24 2wrj n ALA 24 N 3.62 -3.68 0.15 5.17 0.00 -1.26 -3.41 120.51 121.10 2wrj n ALA 24 Ca 0.13 -1.32 0.11 0.00 0.00 0.00 0.00 53.44 52.36 2wrj n ALA 24 Cb 0.38 -1.62 0.07 0.00 0.00 0.00 0.00 19.45 18.28 2wrj n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrj h LYS 25 N -2.48 0.00 0.02 0.00 3.64 -1.82 -2.67 116.57 113.27 2wrj h LYS 25 Ca -0.54 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2wrj h LYS 25 Cb 1.31 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 2wrj h LYS 25 CO 0.39 0.01 -0.14 0.07 -2.27 0.00 0.00 179.45 177.52 2wrj h ARG 26 N 0.00 -0.23 0.00 1.90 0.11 -1.93 -3.40 114.38 110.83 2wrj h ARG 26 Ca -0.00 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2wrj h ARG 26 Cb 1.02 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2wrj h ARG 26 CO 0.00 -0.15 0.00 0.39 0.10 0.00 0.00 179.97 180.31 2wrj n GLU 27 N -5.27 2.96 0.00 0.08 1.02 -1.24 -4.90 120.64 113.29 2wrj n GLU 27 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2wrj n GLU 27 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 2wrj n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wrj n GLY 28 N 5.00 0.00 0.00 0.62 0.00 -1.26 -4.77 105.19 104.78 2wrj n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrj n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 29 N 0.00 0.32 2.13 -0.02 0.00 -1.01 -4.97 105.19 101.63 2wrj n GLY 29 Ca 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 2wrj n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wrj n VAL 30 N 9.00 0.00 -0.97 1.61 0.24 -1.26 -4.29 118.33 122.65 2wrj n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wrj n VAL 30 Cb 0.00 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 2wrj n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrj n GLY 31 N 0.21 0.25 3.91 7.63 0.00 -1.22 -4.83 105.19 111.14 2wrj n GLY 31 Ca -0.01 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 2wrj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s LYS 32 N 0.00 2.27 -0.15 1.61 1.02 -1.25 -3.73 119.74 119.51 2wrj s LYS 32 Ca 0.00 -1.97 -0.10 0.00 0.02 0.00 0.00 55.97 53.91 2wrj s LYS 32 Cb 0.00 -2.15 0.05 0.00 -0.52 0.00 0.00 37.83 35.20 2wrj s LYS 32 CO 0.00 -0.63 0.37 0.15 -0.92 0.00 0.00 175.35 174.32 2wrj s LYS 33 N -4.31 0.38 0.10 1.68 1.02 -0.33 -4.95 119.74 113.34 2wrj s LYS 33 Ca 0.37 0.62 -0.30 0.00 0.02 0.00 0.00 55.97 56.68 2wrj s LYS 33 Cb -0.02 0.07 -0.06 0.00 -0.52 0.00 0.00 37.83 37.30 2wrj s LYS 33 CO 0.23 -0.11 1.03 0.99 -0.92 0.00 0.00 175.35 176.57 2wrj s THR 34 N 0.82 4.33 -0.09 2.17 2.01 -1.26 -1.72 115.64 121.91 2wrj s THR 34 Ca -0.05 1.87 0.01 0.00 0.31 0.00 0.00 61.69 63.83 2wrj s THR 34 Cb -0.06 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2wrj s THR 34 CO -0.06 0.25 0.39 1.07 -0.69 0.00 0.00 174.62 175.58 2wrj n THR 35 N 3.01 0.00 0.00 -0.82 5.66 0.56 -4.97 114.28 117.72 2wrj n THR 35 Ca 0.04 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 2wrj n THR 35 Cb 0.48 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 2wrj n THR 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wrj n GLY 36 N 0.32 -1.81 3.67 1.09 0.00 -1.24 -4.98 105.19 102.25 2wrj n GLY 36 Ca 0.00 0.90 -0.43 0.00 0.00 0.00 0.00 46.02 46.50 2wrj n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wrj n ILE 37 N 0.00 0.59 -4.10 -0.61 5.41 -1.26 -4.50 119.36 114.89 2wrj n ILE 37 Ca 0.00 -0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.50 2wrj n ILE 37 Cb 0.00 -2.18 -0.13 0.00 -0.71 0.00 0.00 39.64 36.61 2wrj n ILE 37 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wrj s SER 38 N 3.73 0.63 0.91 4.38 1.04 -1.20 -4.96 113.70 118.22 2wrj s SER 38 Ca 0.87 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.94 2wrj s SER 38 Cb -0.49 -0.03 0.14 0.00 0.10 0.00 0.00 66.02 65.75 2wrj s SER 38 CO 0.41 -0.04 1.09 -0.75 0.98 0.00 0.00 173.24 174.94 2wrj s LYS 39 N -0.60 1.10 0.04 4.02 2.47 -1.26 -0.68 119.74 124.82 2wrj s LYS 39 Ca -0.02 1.04 -0.27 0.00 -1.56 0.00 0.00 55.97 55.15 2wrj s LYS 39 Cb -0.05 -1.77 0.09 0.00 -1.46 0.00 0.00 37.83 34.64 2wrj s LYS 39 CO -0.00 -2.41 1.22 -0.98 0.16 0.00 0.00 175.35 173.33 2wrj s ARG 40 N -4.81 0.63 -0.00 4.03 1.70 -0.68 -4.74 118.95 115.08 2wrj s ARG 40 Ca 0.64 -0.40 0.03 0.00 -0.47 0.00 0.00 55.73 55.53 2wrj s ARG 40 Cb -0.20 0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.35 2wrj s ARG 40 CO 0.58 -0.30 -0.11 1.03 -1.08 0.00 0.00 175.30 175.43 2wrj s ARG 41 N -2.12 0.86 -0.21 3.89 0.52 -1.26 -0.84 118.95 119.79 2wrj s ARG 41 Ca 0.25 -0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 55.01 2wrj s ARG 41 Cb -0.00 -0.83 -0.02 0.00 0.52 0.00 0.00 34.95 34.61 2wrj s ARG 41 CO 0.01 0.23 0.00 -0.65 0.02 0.00 0.00 175.30 174.91 2wrj s GLN 42 N -0.32 3.61 -0.15 3.54 -0.21 0.76 -4.94 119.66 121.96 2wrj s GLN 42 Ca 0.04 -0.52 -0.05 0.00 0.02 0.00 0.00 55.36 54.85 2wrj s GLN 42 Cb -0.04 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 2wrj s GLN 42 CO -0.00 -0.02 0.03 0.71 -2.12 0.00 0.00 175.29 173.88 2wrj s TYR 43 N 1.09 3.19 0.58 0.91 1.51 -1.26 -1.22 117.35 122.15 2wrj s TYR 43 Ca 0.02 0.03 -0.20 0.00 -1.01 0.00 0.00 57.07 55.91 2wrj s TYR 43 Cb -0.14 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 2wrj s TYR 43 CO 0.02 0.21 1.24 -0.35 -1.11 0.00 0.00 175.55 175.56 2wrj n PRO 44 N 3.11 1.37 -3.00 -1.71 -0.04 -1.26 -4.91 135.00 128.56 2wrj n PRO 44 Ca -0.17 0.51 -0.43 0.00 -0.04 0.00 0.00 63.50 63.37 2wrj n PRO 44 Cb 0.53 -2.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.48 2wrj n PRO 44 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wrj s ASN 45 N -1.09 6.35 -0.00 3.54 3.04 -1.26 -5.00 114.94 120.53 2wrj s ASN 45 Ca 0.75 -0.31 0.01 0.00 0.04 0.00 0.00 52.86 53.34 2wrj s ASN 45 Cb -0.42 -2.37 -0.00 0.00 -1.54 0.00 0.00 41.25 36.92 2wrj s ASN 45 CO 0.47 -0.94 -0.03 -1.48 -3.04 0.00 0.00 177.10 172.08 2wrj s LEU 46 N 3.21 2.02 0.43 3.21 -0.00 -1.26 -1.07 118.68 125.22 2wrj s LEU 46 Ca 0.26 -0.07 0.07 0.00 -0.00 0.00 0.00 54.13 54.39 2wrj s LEU 46 Cb -0.14 -0.13 -0.03 0.00 -0.00 0.00 0.00 46.19 45.89 2wrj s LEU 46 CO 0.20 0.02 0.25 -1.10 -0.00 0.00 0.00 176.35 175.72 2wrj s GLN 47 N -0.14 2.32 -0.46 1.48 -1.52 -1.23 -5.00 119.66 115.11 2wrj s GLN 47 Ca 0.00 -1.78 -0.17 0.00 -1.95 0.00 0.00 55.36 51.46 2wrj s GLN 47 Cb -0.02 -2.10 0.05 0.00 -0.22 0.00 0.00 33.01 30.72 2wrj s GLN 47 CO -0.00 -0.19 0.47 0.15 -0.25 0.00 0.00 175.29 175.48 2wrj s LYS 48 N -4.00 3.06 -0.01 2.91 1.02 -1.26 -4.12 119.74 117.34 2wrj s LYS 48 Ca 0.42 -0.99 -0.23 0.00 0.02 0.00 0.00 55.97 55.18 2wrj s LYS 48 Cb 0.01 -4.06 -0.05 0.00 -0.52 0.00 0.00 37.83 33.22 2wrj s LYS 48 CO 0.24 -1.01 0.71 0.08 -0.92 0.00 0.00 175.35 174.44 2wrj s VAL 49 N 2.11 4.89 -0.18 3.17 1.01 -1.15 -4.91 120.40 125.34 2wrj s VAL 49 Ca 0.10 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 2wrj s VAL 49 Cb -0.20 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2wrj s VAL 49 CO 0.11 0.33 -0.14 -0.13 0.00 0.00 0.00 175.10 175.27 2wrj s ARG 50 N 0.26 3.18 0.05 2.72 0.52 -1.26 -0.78 118.95 123.64 2wrj s ARG 50 Ca 0.37 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 2wrj s ARG 50 Cb -0.19 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 2wrj s ARG 50 CO 0.20 -0.12 -0.11 0.54 0.02 0.00 0.00 175.30 175.83 2wrj s VAL 51 N 1.15 0.81 0.00 3.52 0.11 -0.88 -5.01 120.40 120.10 2wrj s VAL 51 Ca 0.01 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.90 2wrj s VAL 51 Cb -0.14 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2wrj s VAL 51 CO -0.05 -0.29 0.00 0.54 -3.33 0.00 0.00 175.10 171.96 2wrj n ARG 52 N 1.42 0.00 -0.50 1.54 5.12 -1.26 -2.31 116.66 120.67 2wrj n ARG 52 Ca -0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 2wrj n ARG 52 Cb 0.54 -0.15 0.00 0.00 -1.16 0.00 0.00 32.46 31.70 2wrj n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wrj n VAL 53 N 0.00 -0.92 0.00 1.55 0.31 -1.26 -4.06 118.33 113.95 2wrj n VAL 53 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 2wrj n VAL 53 Cb 0.00 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2wrj n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrj n ALA 54 N -1.85 0.00 0.00 3.52 0.00 -1.26 -3.35 120.51 117.57 2wrj n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrj n ALA 54 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2wrj n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 55 N 0.00 0.00 3.94 0.00 0.00 -1.26 -5.09 105.19 102.78 2wrj n GLY 55 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wrj n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wrj s GLN 56 N -1.08 0.88 0.41 1.61 -1.52 -1.21 -5.09 119.66 113.66 2wrj s GLN 56 Ca 0.00 -0.49 0.06 0.00 -1.95 0.00 0.00 55.36 52.99 2wrj s GLN 56 Cb 0.00 -1.93 0.01 0.00 -0.22 0.00 0.00 33.01 30.87 2wrj s GLN 56 CO 0.00 -2.21 0.57 -2.00 -0.25 0.00 0.00 175.29 171.40 2wrj s GLU 57 N -5.76 2.89 -0.29 2.91 2.12 -1.26 -4.31 118.70 115.01 2wrj s GLU 57 Ca 0.72 -1.08 -0.14 0.00 0.36 0.00 0.00 54.97 54.84 2wrj s GLU 57 Cb -0.04 -2.73 0.12 0.00 0.26 0.00 0.00 34.13 31.73 2wrj s GLU 57 CO 0.51 -0.23 0.76 -1.50 -0.54 0.00 0.00 175.26 174.26 2wrj s ILE 58 N -2.36 -0.46 0.13 -3.70 2.07 -0.98 -4.91 121.20 111.00 2wrj s ILE 58 Ca 0.52 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.80 2wrj s ILE 58 Cb -0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 2wrj s ILE 58 CO 0.33 0.00 0.17 0.42 -1.91 0.00 0.00 174.94 173.95 2wrj s THR 59 N 2.20 4.78 -0.13 4.00 -4.23 -1.26 -2.06 115.64 118.93 2wrj s THR 59 Ca -0.07 -0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 59.56 2wrj s THR 59 Cb -0.08 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.40 2wrj s THR 59 CO -0.19 -0.03 0.02 -0.36 -0.54 0.00 0.00 174.62 173.52 2wrj s PHE 60 N -1.65 0.82 -0.47 3.99 0.08 0.04 -4.99 117.98 115.80 2wrj s PHE 60 Ca 0.32 -0.50 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 2wrj s PHE 60 Cb -0.11 -0.91 -0.15 0.00 -0.57 0.00 0.00 43.02 41.28 2wrj s PHE 60 CO 0.25 -0.47 2.69 0.54 -0.10 0.00 0.00 175.22 178.13 2wrj n ARG 61 N 5.11 1.98 -2.16 0.44 1.74 -1.26 -2.95 116.66 119.55 2wrj n ARG 61 Ca -0.08 -1.14 -0.31 0.00 -0.77 0.00 0.00 57.85 55.55 2wrj n ARG 61 Cb 0.49 -2.15 -0.01 0.00 -1.02 0.00 0.00 32.46 29.77 2wrj n ARG 61 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wrj s VAL 62 N 2.04 4.69 0.00 1.55 0.11 -1.26 -2.63 120.40 124.91 2wrj s VAL 62 Ca 0.51 0.88 0.00 0.00 -2.93 0.00 0.00 61.98 60.44 2wrj s VAL 62 Cb 0.20 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 2wrj s VAL 62 CO -0.02 -0.95 0.00 0.00 -3.33 0.00 0.00 175.10 170.80 2wrj n ALA 63 N -2.28 0.00 -0.14 1.54 0.00 -1.26 -3.55 120.51 114.82 2wrj n ALA 63 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 2wrj n ALA 63 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 2wrj n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj n ALA 64 N -3.00 1.31 0.23 0.00 0.00 -0.23 -3.35 120.51 115.47 2wrj n ALA 64 Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 53.44 52.34 2wrj n ALA 64 Cb 0.00 0.03 0.07 0.00 0.00 0.00 0.00 19.45 19.55 2wrj n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wrj n SER 65 N -3.80 0.00 0.00 0.00 3.41 -1.26 -1.15 113.62 110.82 2wrj n SER 65 Ca -0.51 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 2wrj n SER 65 Cb 0.94 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 2wrj n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wrj n HIS 66 N -0.83 0.00 -0.40 7.33 -0.00 -1.26 -4.83 115.22 115.23 2wrj n HIS 66 Ca 0.02 0.00 0.32 0.00 -0.00 0.00 0.00 57.72 58.05 2wrj n HIS 66 Cb 0.01 0.00 0.59 0.00 -0.00 0.00 0.00 29.99 30.59 2wrj n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2wrj h ILE 67 N 0.67 0.24 -0.01 1.59 2.04 -1.13 -0.82 117.51 120.09 2wrj h ILE 67 Ca 0.00 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 2wrj h ILE 67 Cb 0.34 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2wrj h ILE 67 CO 0.00 0.03 -0.43 1.55 0.00 0.00 0.00 178.15 179.30 2wrj h PRO 68 N 0.19 0.31 0.00 2.37 0.13 -1.88 -3.27 132.00 129.84 2wrj h PRO 68 Ca 0.75 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 2wrj h PRO 68 Cb 2.19 0.09 0.00 0.00 0.13 0.00 0.00 31.00 33.41 2wrj h PRO 68 CO -0.42 1.01 0.11 1.17 -0.23 0.00 0.00 178.00 179.64 2wrj n LYS 69 N -4.35 0.00 -0.08 0.86 3.00 -0.31 -0.43 118.16 116.85 2wrj n LYS 69 Ca -0.10 0.08 -0.09 0.00 -0.00 0.00 0.00 58.31 58.20 2wrj n LYS 69 Cb 0.59 -1.61 -0.04 0.00 0.00 0.00 0.00 35.03 33.97 2wrj n LYS 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wrj n VAL 70 N -0.89 1.45 -0.21 3.15 0.31 -1.23 -3.43 118.33 117.47 2wrj n VAL 70 Ca 0.00 0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 64.47 2wrj n VAL 70 Cb 0.11 -2.30 0.11 0.00 -0.91 0.00 0.00 33.84 30.84 2wrj n VAL 70 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 2wrj h TYR 71 N -1.00 0.51 -0.05 3.52 -1.99 -0.91 0.76 116.97 117.81 2wrj h TYR 71 Ca -0.10 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.68 2wrj h TYR 71 Cb 0.75 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 2wrj h TYR 71 CO -0.17 0.19 0.07 1.49 -0.00 0.00 0.00 178.16 179.73 2wrj h GLU 72 N 0.51 0.00 -0.01 4.88 4.22 -1.58 0.77 114.58 123.38 2wrj h GLU 72 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.74 2wrj h GLU 72 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wrj h GLU 72 CO -0.26 0.00 -0.05 -0.11 -2.18 0.00 0.00 179.01 176.41 2wrj n LEU 73 N -3.70 0.69 0.03 1.64 0.00 0.26 -2.57 117.00 113.36 2wrj n LEU 73 Ca -0.02 -0.17 0.11 0.00 0.00 0.00 0.00 56.01 55.94 2wrj n LEU 73 Cb 0.16 -0.07 0.04 0.00 0.00 0.00 0.00 43.42 43.55 2wrj n LEU 73 CO 0.26 0.12 0.05 0.52 0.00 0.00 0.00 177.39 178.34 2wrj n VAL 74 N -0.59 0.20 -0.01 1.96 0.31 0.27 -3.29 118.33 117.18 2wrj n VAL 74 Ca 0.18 -0.25 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 2wrj n VAL 74 Cb 0.26 0.15 -0.12 0.00 -0.91 0.00 0.00 33.84 33.21 2wrj n VAL 74 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wrj h GLU 75 N 0.00 0.25 -0.35 5.55 4.57 -1.36 -3.11 114.58 120.13 2wrj h GLU 75 Ca 0.00 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 57.91 2wrj h GLU 75 Cb 0.74 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 2wrj h GLU 75 CO 0.00 1.04 0.15 0.00 -1.18 0.00 0.00 179.01 179.02 2wrj h ARG 76 N -0.42 0.31 -1.01 1.92 3.08 -1.68 -2.93 114.38 113.65 2wrj h ARG 76 Ca -0.06 -0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.20 2wrj h ARG 76 Cb 1.21 -0.07 -0.12 0.00 0.08 0.00 0.00 29.97 31.07 2wrj h ARG 76 CO 0.08 0.20 0.61 0.00 -1.07 0.00 0.00 179.97 179.79 2wrj h ALA 77 N 1.20 1.80 -0.13 0.04 0.00 -1.59 -3.18 119.26 117.40 2wrj h ALA 77 Ca 0.15 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2wrj h ALA 77 Cb 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2wrj h ALA 77 CO -0.13 -0.25 -0.28 0.87 0.00 0.00 0.00 179.25 179.47 2wrj h LYS 78 N 0.61 -0.25 -4.77 0.00 1.57 -1.44 -3.08 116.57 109.21 2wrj h LYS 78 Ca 0.63 0.02 -0.56 0.00 -1.87 0.00 0.00 60.65 58.86 2wrj h LYS 78 Cb 1.17 0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.57 2wrj h LYS 78 CO -0.44 -0.17 1.94 0.41 -0.57 0.00 0.00 179.45 180.63 2wrj n GLY 79 N -1.21 2.10 3.65 3.86 0.00 -1.20 -4.72 105.19 107.67 2wrj n GLY 79 Ca -0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 2wrj n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wrj s LEU 80 N 3.87 -0.24 -0.24 0.99 0.20 -1.17 -5.08 118.68 117.02 2wrj s LEU 80 Ca 0.61 -0.23 -0.08 0.00 0.69 0.00 0.00 54.13 55.11 2wrj s LEU 80 Cb 0.10 2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 47.88 2wrj s LEU 80 CO 0.13 -0.75 0.09 -0.54 -0.29 0.00 0.00 176.35 174.98 2wrj s LYS 81 N -3.16 3.75 -0.15 1.98 -0.14 -1.26 -5.08 119.74 115.69 2wrj s LYS 81 Ca 0.10 -0.43 -0.10 0.00 -1.36 0.00 0.00 55.97 54.18 2wrj s LYS 81 Cb -0.01 -3.36 0.05 0.00 -1.68 0.00 0.00 37.83 32.84 2wrj s LYS 81 CO -0.02 -0.11 0.37 -0.51 -0.76 0.00 0.00 175.35 174.31 2wrj s LEU 82 N 1.43 0.23 0.00 3.17 1.02 -1.26 -5.14 118.68 118.13 2wrj s LEU 82 Ca 0.06 0.78 0.00 0.00 0.02 0.00 0.00 54.13 54.98 2wrj s LEU 82 Cb -0.15 1.21 0.00 0.00 0.02 0.00 0.00 46.19 47.27 2wrj s LEU 82 CO 0.04 -0.17 0.00 -0.62 0.02 0.00 0.00 176.35 175.63 2wrj n GLU 83 N 3.79 0.00 -2.52 1.70 4.71 -1.26 -4.84 120.64 122.22 2wrj n GLU 83 Ca -0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 56.91 2wrj n GLU 83 Cb 0.56 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.96 2wrj n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wrj n GLY 84 N 0.00 -5.27 0.00 0.62 0.00 -1.26 -4.06 105.19 95.23 2wrj n GLY 84 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.15 2wrj n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrj n LEU 85 N 1.81 0.00 -2.27 0.99 4.77 -1.26 -4.66 117.00 116.38 2wrj n LEU 85 Ca -0.26 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.41 2wrj n LEU 85 Cb 0.40 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 2wrj n LEU 85 CO 0.24 0.00 1.04 -1.20 -1.33 0.00 0.00 177.39 176.14 2wrj n SER 86 N 0.00 6.78 0.00 -1.43 7.64 -1.26 -4.86 113.62 120.50 2wrj n SER 86 Ca 0.00 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.10 2wrj n SER 86 Cb 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2wrj n SER 86 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2wrj n PRO 87 N -0.83 0.00 0.16 1.43 -0.04 -1.26 0.25 135.00 134.72 2wrj n PRO 87 Ca 0.56 0.84 0.12 0.00 -0.04 0.00 0.00 63.50 64.99 2wrj n PRO 87 Cb 0.73 -1.46 0.58 0.00 -0.04 0.00 0.00 33.50 33.31 2wrj n PRO 87 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2wrj h LYS 88 N 0.00 0.00 -0.01 0.54 3.64 -1.93 -1.34 116.57 117.48 2wrj h LYS 88 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wrj h LYS 88 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wrj h LYS 88 CO 0.00 0.00 -0.20 0.39 -2.27 0.00 0.00 179.45 177.37 2wrj n GLU 89 N -2.35 1.11 -0.11 1.90 1.02 0.11 -1.90 120.64 120.42 2wrj n GLU 89 Ca 0.00 -0.69 -0.21 0.00 -0.02 0.00 0.00 57.16 56.25 2wrj n GLU 89 Cb 0.16 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 2wrj n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wrj n ILE 90 N -0.34 1.45 -0.20 -3.67 2.08 0.70 -2.99 119.36 116.38 2wrj n ILE 90 Ca 0.14 -0.18 -0.01 0.00 0.56 0.00 0.00 62.75 63.26 2wrj n ILE 90 Cb 0.37 -2.01 0.05 0.00 -0.75 0.00 0.00 39.64 37.30 2wrj n ILE 90 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2wrj h LYS 91 N -0.93 -0.00 0.32 0.38 3.64 -1.58 0.55 116.57 118.95 2wrj h LYS 91 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2wrj h LYS 91 Cb 1.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 2wrj h LYS 91 CO -0.26 -0.00 -0.37 -0.22 -2.27 0.00 0.00 179.45 176.33 2wrj h LYS 92 N -0.00 -0.70 0.00 1.90 1.63 -1.57 -1.53 116.57 116.29 2wrj h LYS 92 Ca 0.28 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2wrj h LYS 92 Cb 0.43 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2wrj h LYS 92 CO -0.61 -0.47 0.00 0.39 -3.45 0.00 0.00 179.45 175.31 2wrj n GLU 93 N -5.47 0.47 -1.22 1.90 -0.58 0.65 -3.21 120.64 113.18 2wrj n GLU 93 Ca -0.09 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.35 2wrj n GLU 93 Cb 0.37 -1.15 0.07 0.00 -0.57 0.00 0.00 31.44 30.16 2wrj n GLU 93 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wrj n LEU 94 N -0.65 7.37 0.00 -4.62 4.32 0.16 -4.83 117.00 118.76 2wrj n LEU 94 Ca 0.03 -4.03 0.00 0.00 -0.02 0.00 0.00 56.01 51.99 2wrj n LEU 94 Cb 0.02 -1.00 0.00 0.00 -1.62 0.00 0.00 43.42 40.81 2wrj n LEU 94 CO 0.02 1.41 0.00 -0.11 -1.22 0.00 0.00 177.39 177.50 2wrj n LEU 95 N -0.56 0.43 0.00 2.23 7.94 -1.20 -5.04 117.00 120.81 2wrj n LEU 95 Ca 0.54 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 2wrj n LEU 95 Cb 0.63 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 43.30 2wrj n LEU 95 CO 0.68 -0.41 0.00 2.29 -1.11 0.00 0.00 177.39 178.84