#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl h ASN 2 N 0.00 -0.04 -0.23 6.12 2.35 -2.08 -3.39 115.58 118.30 2wrl h ASN 2 Ca 0.00 -0.64 -0.13 0.00 -0.55 0.00 0.00 56.30 54.98 2wrl h ASN 2 Cb 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2wrl h ASN 2 CO 0.00 0.68 0.42 -0.13 -1.65 0.00 0.00 177.43 176.74 2wrl s ARG 3 N -3.05 1.62 0.30 0.81 1.81 -1.26 -4.66 118.95 114.54 2wrl s ARG 3 Ca -0.15 -0.71 0.02 0.00 -1.72 0.00 0.00 55.73 53.16 2wrl s ARG 3 Cb -0.01 -5.08 0.75 0.00 -0.45 0.00 0.00 34.95 30.17 2wrl s ARG 3 CO 0.59 -5.00 1.58 0.78 -0.68 0.00 0.00 175.30 172.57 2wrl h GLY 4 N 20.77 1.26 0.00 -3.53 0.00 -2.04 -3.30 103.07 116.22 2wrl h GLY 4 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2wrl h GLY 4 CO 1.09 -0.50 0.00 0.00 0.00 0.00 0.00 176.54 177.13 2wrl n ALA 5 N -3.07 0.00 0.00 3.60 0.00 -1.26 -4.28 120.51 115.49 2wrl n ALA 5 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wrl n ALA 5 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2wrl n ALA 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wrl n LEU 6 N 0.00 0.00 -0.29 0.00 0.00 -1.25 -2.03 117.00 113.42 2wrl n LEU 6 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.13 2wrl n LEU 6 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 43.42 43.65 2wrl n LEU 6 CO 0.00 0.00 0.66 -0.38 0.00 0.00 0.00 177.39 177.67 2wrl n ILE 7 N 0.00 -0.36 0.36 1.96 5.41 -1.24 0.24 119.36 125.73 2wrl n ILE 7 Ca 0.00 1.87 -0.17 0.00 1.00 0.00 0.00 62.75 65.46 2wrl n ILE 7 Cb 0.00 -2.72 -0.08 0.00 -0.71 0.00 0.00 39.64 36.13 2wrl n ILE 7 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2wrl h LYS 8 N 0.00 -0.88 0.00 0.38 1.57 -1.59 -1.30 116.57 114.75 2wrl h LYS 8 Ca 0.50 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2wrl h LYS 8 Cb 1.00 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2wrl h LYS 8 CO -0.81 -0.56 0.37 1.28 -0.57 0.00 0.00 179.45 179.16 2wrl n LEU 9 N -5.44 0.10 0.00 2.94 4.77 0.65 -2.13 117.00 117.90 2wrl n LEU 9 Ca -0.13 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2wrl n LEU 9 Cb 0.38 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2wrl n LEU 9 CO 0.35 -0.35 0.01 0.52 -1.33 0.00 0.00 177.39 176.59 2wrl n VAL 10 N -1.54 0.00 -0.33 4.08 0.31 0.19 -3.67 118.33 117.37 2wrl n VAL 10 Ca -0.00 0.40 0.33 0.00 -0.01 0.00 0.00 64.34 65.06 2wrl n VAL 10 Cb 0.37 -1.17 0.51 0.00 -0.91 0.00 0.00 33.84 32.64 2wrl n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wrl n GLU 11 N -1.64 0.01 -0.08 5.55 4.71 -0.91 -0.56 120.64 127.73 2wrl n GLU 11 Ca 0.00 0.97 0.00 0.00 -0.01 0.00 0.00 57.16 58.12 2wrl n GLU 11 Cb 0.00 -2.37 0.00 0.00 -1.01 0.00 0.00 31.44 28.06 2wrl n GLU 11 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2wrl n SER 12 N -3.30 0.94 -1.83 1.62 7.64 -1.11 -4.15 113.62 113.43 2wrl n SER 12 Ca 0.27 -1.10 -0.13 0.00 1.01 0.00 0.00 58.87 58.93 2wrl n SER 12 Cb 1.57 -0.19 0.02 0.00 -1.01 0.00 0.00 64.21 64.59 2wrl n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wrl n ARG 13 N 1.71 1.63 0.00 1.43 5.12 0.28 -3.01 116.66 123.83 2wrl n ARG 13 Ca 0.00 -1.18 0.00 0.00 -1.93 0.00 0.00 57.85 54.74 2wrl n ARG 13 Cb 0.10 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 2wrl n ARG 13 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2wrl n TYR 14 N 0.74 0.00 -1.09 -1.55 4.02 -1.26 -5.09 117.16 112.94 2wrl n TYR 14 Ca 0.24 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.74 2wrl n TYR 14 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.86 2wrl n TYR 14 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2wrl n VAL 15 N -1.24 1.30 -2.34 -0.72 0.24 -1.16 -4.85 118.33 109.56 2wrl n VAL 15 Ca 0.00 -0.32 -0.02 0.00 -2.04 0.00 0.00 64.34 61.95 2wrl n VAL 15 Cb 0.10 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.48 2wrl n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wrl n ARG 16 N 0.83 0.59 0.00 7.34 5.12 -1.26 -5.05 116.66 124.22 2wrl n ARG 16 Ca 0.14 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2wrl n ARG 16 Cb 0.17 -0.06 0.00 0.00 -1.16 0.00 0.00 32.46 31.41 2wrl n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2wrl n THR 17 N -1.48 0.00 0.66 0.55 5.66 -1.26 -4.94 114.28 113.48 2wrl n THR 17 Ca 0.01 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.09 2wrl n THR 17 Cb 0.05 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.04 2wrl n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2wrl n ASP 18 N 0.00 2.29 -4.65 1.09 5.75 -1.26 -4.90 116.55 114.87 2wrl n ASP 18 Ca 0.00 -1.98 -0.42 0.00 -0.01 0.00 0.00 54.79 52.39 2wrl n ASP 18 Cb 0.00 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 39.77 2wrl n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wrl s LEU 19 N -1.05 4.10 -0.27 -2.12 1.43 -1.26 -4.94 118.68 114.56 2wrl s LEU 19 Ca 0.29 1.07 -0.31 0.00 -1.03 0.00 0.00 54.13 54.15 2wrl s LEU 19 Cb 0.15 -3.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 2wrl s LEU 19 CO 0.20 -0.49 2.21 -2.65 0.23 0.00 0.00 176.35 175.85 2wrl n PRO 20 N 5.85 1.59 -1.68 1.29 -0.02 -1.26 -4.89 135.00 135.87 2wrl n PRO 20 Ca 0.05 0.43 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 2wrl n PRO 20 Cb 0.48 -2.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.01 2wrl n PRO 20 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wrl n GLU 21 N 8.51 2.47 -4.03 -0.52 2.13 -1.26 -4.94 120.64 123.00 2wrl n GLU 21 Ca 0.35 0.89 -0.10 0.00 0.66 0.00 0.00 57.16 58.96 2wrl n GLU 21 Cb 0.35 -2.73 -0.08 0.00 0.27 0.00 0.00 31.44 29.25 2wrl n GLU 21 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2wrl s PHE 22 N 2.19 0.57 0.14 4.31 -0.12 -1.26 -5.16 117.98 118.64 2wrl s PHE 22 Ca 0.82 -0.92 -0.15 0.00 -0.05 0.00 0.00 56.93 56.63 2wrl s PHE 22 Cb -0.59 -0.17 0.03 0.00 -0.63 0.00 0.00 43.02 41.66 2wrl s PHE 22 CO 0.39 -0.70 0.40 -0.98 -0.05 0.00 0.00 175.22 174.29 2wrl s ARG 23 N -4.01 1.13 0.00 1.99 1.70 -1.26 -4.99 118.95 113.51 2wrl s ARG 23 Ca 0.21 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 2wrl s ARG 23 Cb 0.04 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 2wrl s ARG 23 CO 0.03 -0.45 0.00 -2.30 -1.08 0.00 0.00 175.30 171.50 2wrl n PRO 24 N -0.24 0.00 0.00 3.89 -0.02 -1.26 -4.10 135.00 133.27 2wrl n PRO 24 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2wrl n PRO 24 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 2wrl n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrl n GLY 25 N 0.00 0.72 3.15 -1.23 0.00 -1.26 -4.32 105.19 102.25 2wrl n GLY 25 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2wrl n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wrl s ASP 26 N -1.00 -0.10 0.09 1.61 3.68 -1.22 -4.18 116.67 115.55 2wrl s ASP 26 Ca 0.00 0.03 0.01 0.00 2.13 0.00 0.00 52.55 54.73 2wrl s ASP 26 Cb 0.00 1.08 0.01 0.00 -1.45 0.00 0.00 42.92 42.56 2wrl s ASP 26 CO 0.00 -0.02 0.08 1.07 0.13 0.00 0.00 175.17 176.44 2wrl n THR 27 N 5.25 0.00 -3.15 1.71 5.66 -1.24 -2.73 114.28 119.78 2wrl n THR 27 Ca 0.01 -0.34 0.06 0.00 -3.05 0.00 0.00 64.05 60.73 2wrl n THR 27 Cb 0.57 -0.57 -0.01 0.00 -1.55 0.00 0.00 70.33 68.76 2wrl n THR 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2wrl s VAL 28 N -0.18 -0.21 -0.11 1.08 1.01 -1.21 -3.24 120.40 117.55 2wrl s VAL 28 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2wrl s VAL 28 Cb -0.01 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.74 2wrl s VAL 28 CO 0.04 0.00 0.78 -0.60 0.00 0.00 0.00 175.10 175.32 2wrl s ARG 29 N 2.97 0.90 0.00 2.72 6.06 -1.21 -4.41 118.95 125.97 2wrl s ARG 29 Ca 0.07 0.33 0.00 0.00 -2.50 0.00 0.00 55.73 53.63 2wrl s ARG 29 Cb -0.07 0.42 0.00 0.00 0.06 0.00 0.00 34.95 35.37 2wrl s ARG 29 CO -0.14 -0.26 0.00 1.33 -2.50 0.00 0.00 175.30 173.73 2wrl n VAL 30 N 1.12 0.00 -2.24 7.11 0.24 -1.26 -4.35 118.33 118.95 2wrl n VAL 30 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2wrl n VAL 30 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 2wrl n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wrl n SER 31 N 0.00 0.00 0.00 -1.34 3.41 -0.48 -4.78 113.62 110.43 2wrl n SER 31 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2wrl n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wrl n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wrl n TYR 32 N 0.00 0.00 -1.97 7.33 -0.00 -1.23 -4.35 117.16 116.94 2wrl n TYR 32 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.89 2wrl n TYR 32 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 2wrl n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wrl n LYS 33 N -0.58 -1.72 -3.33 -3.48 4.76 -1.26 -4.22 118.16 108.32 2wrl n LYS 33 Ca 0.00 1.61 -0.46 0.00 -2.87 0.00 0.00 58.31 56.59 2wrl n LYS 33 Cb 0.00 -2.75 -0.01 0.00 -1.84 0.00 0.00 35.03 30.43 2wrl n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wrl s VAL 34 N -0.45 5.73 0.28 -0.18 1.01 -1.26 -3.53 120.40 122.00 2wrl s VAL 34 Ca -0.07 -2.77 0.03 0.00 0.00 0.00 0.00 61.98 59.17 2wrl s VAL 34 Cb 0.00 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2wrl s VAL 34 CO 0.33 -1.08 0.11 2.29 0.00 0.00 0.00 175.10 176.76 2wrl n LYS 35 N 3.57 0.63 -1.98 2.72 2.85 -0.84 -4.82 118.16 120.30 2wrl n LYS 35 Ca 0.17 -2.37 -0.18 0.00 -1.05 0.00 0.00 58.31 54.88 2wrl n LYS 35 Cb 0.45 1.38 -0.04 0.00 -0.65 0.00 0.00 35.03 36.16 2wrl n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2wrl n GLU 36 N -0.61 -1.65 -1.93 -1.58 2.13 -1.26 -0.36 120.64 115.38 2wrl n GLU 36 Ca -0.03 0.95 -0.19 0.00 0.66 0.00 0.00 57.16 58.55 2wrl n GLU 36 Cb 0.42 -5.44 -0.05 0.00 0.27 0.00 0.00 31.44 26.65 2wrl n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wrl n GLY 37 N -0.64 0.81 3.16 8.31 0.00 -1.26 -4.94 105.19 110.63 2wrl n GLY 37 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2wrl n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s ASN 38 N -2.37 0.31 -0.73 1.61 6.03 0.51 -5.07 114.94 115.22 2wrl s ASN 38 Ca 0.00 -1.15 0.01 0.00 -1.03 0.00 0.00 52.86 50.69 2wrl s ASN 38 Cb 0.00 0.30 0.37 0.00 -3.03 0.00 0.00 41.25 38.88 2wrl s ASN 38 CO 0.00 -0.73 1.61 0.54 -2.03 0.00 0.00 177.10 176.50 2wrl n ARG 39 N -0.08 3.41 -1.87 3.55 1.74 -1.26 -1.98 116.66 120.17 2wrl n ARG 39 Ca -0.07 -4.13 0.00 0.00 -0.77 0.00 0.00 57.85 52.89 2wrl n ARG 39 Cb 0.63 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 2wrl n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wrl n THR 40 N -0.42 0.00 -1.85 0.55 -2.24 -1.23 -4.90 114.28 104.18 2wrl n THR 40 Ca 0.46 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 2wrl n THR 40 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2wrl n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wrl n ARG 41 N 0.00 -4.98 -3.90 -0.78 0.63 -1.26 -4.59 116.66 101.77 2wrl n ARG 41 Ca 0.00 3.58 -0.35 0.00 -0.92 0.00 0.00 57.85 60.16 2wrl n ARG 41 Cb 0.00 -3.83 -0.14 0.00 0.45 0.00 0.00 32.46 28.94 2wrl n ARG 41 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2wrl s ILE 42 N -0.87 3.64 -0.05 5.15 -4.36 -1.26 -4.31 121.20 119.14 2wrl s ILE 42 Ca 0.00 -0.40 -0.09 0.00 -0.26 0.00 0.00 60.65 59.90 2wrl s ILE 42 Cb 0.00 -2.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 2wrl s ILE 42 CO 0.00 0.41 0.25 -1.58 0.24 0.00 0.00 174.94 174.25 2wrl s GLN 43 N 1.44 3.61 0.69 0.37 0.74 -1.26 -4.75 119.66 120.50 2wrl s GLN 43 Ca 0.05 0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.48 2wrl s GLN 43 Cb -0.14 -3.16 0.11 0.00 1.10 0.00 0.00 33.01 30.91 2wrl s GLN 43 CO -0.01 0.72 0.96 -0.51 -0.55 0.00 0.00 175.29 175.90 2wrl s ASP 44 N -1.24 4.51 -0.44 6.67 1.11 -1.26 -1.39 116.67 124.63 2wrl s ASP 44 Ca 0.21 -0.24 0.07 0.00 0.18 0.00 0.00 52.55 52.77 2wrl s ASP 44 Cb -0.14 -0.24 0.18 0.00 1.07 0.00 0.00 42.92 43.80 2wrl s ASP 44 CO 0.10 -1.74 0.61 0.12 1.18 0.00 0.00 175.17 175.45 2wrl s PHE 45 N -3.10 -1.39 -0.43 4.23 5.36 -1.26 -4.89 117.98 116.51 2wrl s PHE 45 Ca 0.64 -0.26 -0.29 0.00 -0.96 0.00 0.00 56.93 56.07 2wrl s PHE 45 Cb -0.06 0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.80 2wrl s PHE 45 CO 0.43 -1.17 1.38 -2.00 -1.46 0.00 0.00 175.22 172.41 2wrl s GLU 46 N 1.41 3.57 0.22 10.12 2.12 -1.26 -3.36 118.70 131.53 2wrl s GLU 46 Ca 0.21 0.87 -0.22 0.00 0.36 0.00 0.00 54.97 56.18 2wrl s GLU 46 Cb -0.04 -4.02 0.04 0.00 0.26 0.00 0.00 34.13 30.37 2wrl s GLU 46 CO -0.06 -1.57 0.71 0.20 -0.54 0.00 0.00 175.26 174.00 2wrl s GLY 47 N 3.81 -0.28 0.35 -1.50 0.00 -1.20 -4.73 107.32 103.77 2wrl s GLY 47 Ca 0.59 0.02 -0.25 0.00 0.00 0.00 0.00 44.72 45.09 2wrl s GLY 47 CO 0.32 0.01 0.95 -0.42 0.00 0.00 0.00 173.10 173.97 2wrl s ILE 48 N -3.78 4.21 -0.37 0.90 1.09 -0.66 -3.62 121.20 118.97 2wrl s ILE 48 Ca 0.08 1.71 -0.19 0.00 -1.10 0.00 0.00 60.65 61.15 2wrl s ILE 48 Cb -0.04 -3.89 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 2wrl s ILE 48 CO -0.00 0.02 0.54 0.54 -0.10 0.00 0.00 174.94 175.94 2wrl s VAL 49 N -1.75 4.98 -0.10 2.92 0.11 -1.26 0.32 120.40 125.63 2wrl s VAL 49 Ca 0.54 0.28 0.14 0.00 -2.93 0.00 0.00 61.98 60.01 2wrl s VAL 49 Cb -0.17 -4.02 -0.24 0.00 -1.53 0.00 0.00 36.38 30.43 2wrl s VAL 49 CO 0.22 -0.30 0.46 -0.38 -3.33 0.00 0.00 175.10 171.77 2wrl n ILE 50 N 5.50 1.54 -3.79 7.04 -0.00 -0.55 -4.29 119.36 124.81 2wrl n ILE 50 Ca -0.04 -0.82 -0.13 0.00 -0.00 0.00 0.00 62.75 61.77 2wrl n ILE 50 Cb 0.49 -0.85 -0.11 0.00 -0.00 0.00 0.00 39.64 39.17 2wrl n ILE 50 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 2wrl s ARG 51 N -2.56 0.40 -0.31 0.38 3.52 -1.24 -2.49 118.95 116.65 2wrl s ARG 51 Ca -0.07 0.13 -0.01 0.00 -0.13 0.00 0.00 55.73 55.65 2wrl s ARG 51 Cb 0.07 0.19 0.10 0.00 -1.56 0.00 0.00 34.95 33.75 2wrl s ARG 51 CO 0.83 -0.08 0.11 0.42 -0.81 0.00 0.00 175.30 175.77 2wrl s ILE 52 N -0.39 0.66 -0.44 4.11 1.01 -1.26 0.42 121.20 125.30 2wrl s ILE 52 Ca -0.05 -1.28 -0.22 0.00 0.00 0.00 0.00 60.65 59.09 2wrl s ILE 52 Cb -0.03 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.95 2wrl s ILE 52 CO 0.01 -0.70 0.73 -0.60 0.00 0.00 0.00 174.94 174.38 2wrl s ARG 53 N 1.69 3.36 0.36 2.79 3.52 0.15 -4.95 118.95 125.87 2wrl s ARG 53 Ca 0.10 -0.21 -0.10 0.00 -0.13 0.00 0.00 55.73 55.39 2wrl s ARG 53 Cb -0.17 -3.94 -0.07 0.00 -1.56 0.00 0.00 34.95 29.21 2wrl s ARG 53 CO -0.27 -1.07 0.71 1.03 -0.81 0.00 0.00 175.30 174.89 2wrl s ARG 54 N 3.10 3.78 0.00 5.12 0.52 -1.26 -1.67 118.95 128.53 2wrl s ARG 54 Ca 0.27 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 2wrl s ARG 54 Cb -0.13 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.88 2wrl s ARG 54 CO 0.21 0.05 0.01 -1.71 0.02 0.00 0.00 175.30 173.89 2wrl n ASN 55 N -1.05 -0.01 0.00 0.23 5.15 -1.26 -4.97 115.26 113.35 2wrl n ASN 55 Ca 0.02 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2wrl n ASN 55 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 2wrl n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wrl n GLY 56 N 0.00 1.61 0.03 8.20 0.00 -1.26 -4.70 105.19 109.07 2wrl n GLY 56 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 2wrl n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wrl n PHE 57 N 0.13 -3.35 -3.40 1.61 -0.00 -1.26 -4.08 117.46 107.12 2wrl n PHE 57 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2wrl n PHE 57 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.48 39.47 2wrl n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2wrl n ASN 58 N -3.01 0.00 -4.44 -2.13 2.04 -1.26 -4.86 115.26 101.59 2wrl n ASN 58 Ca 0.00 0.00 -0.33 0.00 -0.44 0.00 0.00 54.58 53.81 2wrl n ASN 58 Cb 0.00 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.12 2wrl n ASN 58 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2wrl s THR 59 N -4.53 3.01 0.37 5.53 -4.23 -1.26 -4.74 115.64 109.80 2wrl s THR 59 Ca 0.00 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 2wrl s THR 59 Cb 0.00 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.66 2wrl s THR 59 CO 0.00 0.58 0.11 0.35 -0.54 0.00 0.00 174.62 175.11 2wrl n THR 60 N 2.60 0.00 -3.43 3.99 -2.24 -0.67 -3.88 114.28 110.64 2wrl n THR 60 Ca -0.17 -1.65 -0.12 0.00 -2.27 0.00 0.00 64.05 59.83 2wrl n THR 60 Cb 0.52 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 2wrl n THR 60 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2wrl s PHE 61 N -2.17 -0.54 0.16 4.78 -0.12 -0.70 0.32 117.98 119.71 2wrl s PHE 61 Ca 0.08 0.38 0.07 0.00 -0.05 0.00 0.00 56.93 57.41 2wrl s PHE 61 Cb -0.01 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 2wrl s PHE 61 CO 0.05 -0.83 -0.15 0.95 -0.05 0.00 0.00 175.22 175.19 2wrl s THR 62 N -3.58 1.61 -0.07 -4.49 -4.23 0.17 -0.18 115.64 104.87 2wrl s THR 62 Ca 0.00 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 2wrl s THR 62 Cb -0.01 -1.80 0.01 0.00 1.34 0.00 0.00 72.50 72.04 2wrl s THR 62 CO -0.11 -0.45 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.70 2wrl s VAL 63 N -2.40 1.17 -0.18 2.29 1.01 0.12 -1.48 120.40 120.93 2wrl s VAL 63 Ca 0.16 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 2wrl s VAL 63 Cb -0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2wrl s VAL 63 CO 0.05 0.36 0.00 -0.60 0.00 0.00 0.00 175.10 174.92 2wrl s ARG 64 N 0.72 3.72 0.00 2.72 3.52 0.15 -0.21 118.95 129.57 2wrl s ARG 64 Ca -0.14 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 2wrl s ARG 64 Cb -0.16 -3.05 -0.00 0.00 -1.56 0.00 0.00 34.95 30.18 2wrl s ARG 64 CO 0.03 0.16 -0.04 0.21 -0.81 0.00 0.00 175.30 174.86 2wrl s LYS 65 N 0.61 0.29 -0.55 5.12 2.47 0.19 -1.65 119.74 126.22 2wrl s LYS 65 Ca -0.01 -0.18 -0.17 0.00 -1.56 0.00 0.00 55.97 54.05 2wrl s LYS 65 Cb -0.14 -0.24 0.10 0.00 -1.46 0.00 0.00 37.83 36.09 2wrl s LYS 65 CO 0.02 0.06 0.58 0.08 0.16 0.00 0.00 175.35 176.26 2wrl s VAL 66 N -0.23 5.02 -0.41 4.02 1.01 -1.26 0.35 120.40 128.90 2wrl s VAL 66 Ca -0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 2wrl s VAL 66 Cb -0.02 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 32.01 2wrl s VAL 66 CO -0.00 -0.93 0.30 -0.44 0.00 0.00 0.00 175.10 174.03 2wrl s SER 67 N 3.38 6.09 1.06 3.32 0.01 0.17 -4.94 113.70 122.80 2wrl s SER 67 Ca 0.08 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2wrl s SER 67 Cb -0.26 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2wrl s SER 67 CO 0.06 -0.46 0.00 -1.22 0.41 0.00 0.00 173.24 172.03 2wrl n TYR 68 N 5.15 0.00 -0.03 2.43 4.01 -1.26 -2.52 117.16 124.94 2wrl n TYR 68 Ca -0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.51 2wrl n TYR 68 Cb 0.47 0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 2wrl n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2wrl h GLY 69 N 0.00 0.20 -1.75 2.72 0.00 -2.02 -3.45 103.07 98.77 2wrl h GLY 69 Ca 0.00 -0.13 -0.50 0.00 0.00 0.00 0.00 47.33 46.70 2wrl h GLY 69 CO 0.00 0.12 0.38 0.14 0.00 0.00 0.00 176.54 177.18 2wrl s VAL 70 N -5.25 3.36 -0.09 4.60 1.01 -1.05 -5.05 120.40 117.93 2wrl s VAL 70 Ca -0.14 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 2wrl s VAL 70 Cb 0.06 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2wrl s VAL 70 CO 0.70 -0.37 -0.00 -0.83 0.00 0.00 0.00 175.10 174.60 2wrl s GLY 71 N -2.54 1.84 0.01 4.51 0.00 -1.26 0.45 107.32 110.33 2wrl s GLY 71 Ca 0.67 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 44.65 2wrl s GLY 71 CO 0.39 -0.51 -0.22 0.14 0.00 0.00 0.00 173.10 172.90 2wrl s VAL 72 N -0.74 1.73 -0.03 1.40 1.01 1.10 -4.88 120.40 119.99 2wrl s VAL 72 Ca 0.11 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.13 2wrl s VAL 72 Cb -0.12 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2wrl s VAL 72 CO 0.02 0.39 -0.26 -1.61 0.00 0.00 0.00 175.10 173.65 2wrl s GLU 73 N -0.76 2.27 -0.08 2.72 2.02 -1.26 0.56 118.70 124.17 2wrl s GLU 73 Ca 0.08 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.17 2wrl s GLU 73 Cb -0.09 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.08 2wrl s GLU 73 CO 0.00 0.49 -0.12 1.03 0.02 0.00 0.00 175.26 176.69 2wrl s ARG 74 N -0.44 1.71 -0.23 1.61 1.81 0.70 -4.93 118.95 119.18 2wrl s ARG 74 Ca 0.05 -0.39 -0.07 0.00 -1.72 0.00 0.00 55.73 53.59 2wrl s ARG 74 Cb -0.11 -1.47 -0.03 0.00 -0.45 0.00 0.00 34.95 32.88 2wrl s ARG 74 CO 0.01 -0.04 0.07 0.42 -0.68 0.00 0.00 175.30 175.08 2wrl s ILE 75 N 0.88 4.44 -0.03 1.52 1.09 -1.26 0.15 121.20 127.98 2wrl s ILE 75 Ca -0.10 -0.14 0.04 0.00 -1.10 0.00 0.00 60.65 59.35 2wrl s ILE 75 Cb -0.15 -3.05 -0.03 0.00 -1.06 0.00 0.00 42.46 38.17 2wrl s ILE 75 CO 0.01 0.37 -0.15 -0.36 -0.10 0.00 0.00 174.94 174.71 2wrl s PHE 76 N 1.29 2.68 -1.50 3.97 2.99 0.75 -4.93 117.98 123.24 2wrl s PHE 76 Ca 0.05 -0.17 0.11 0.00 0.00 0.00 0.00 56.93 56.92 2wrl s PHE 76 Cb -0.15 -1.60 0.59 0.00 0.00 0.00 0.00 43.02 41.86 2wrl s PHE 76 CO 0.04 0.20 1.25 -2.30 -0.00 0.00 0.00 175.22 174.40 2wrl n PRO 77 N 2.16 0.19 -0.75 0.24 -0.02 -1.26 -1.72 135.00 133.83 2wrl n PRO 77 Ca -0.17 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2wrl n PRO 77 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2wrl n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wrl n LEU 78 N -1.25 0.53 -4.00 2.45 0.00 -1.25 -4.17 117.00 109.30 2wrl n LEU 78 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.97 2wrl n LEU 78 Cb 0.08 -0.83 -0.07 0.00 0.00 0.00 0.00 43.42 42.61 2wrl n LEU 78 CO 0.08 -0.28 0.03 -1.00 0.00 0.00 0.00 177.39 176.23 2wrl s HIS 79 N -2.36 0.48 0.00 1.96 3.76 -1.26 -4.84 115.29 113.02 2wrl s HIS 79 Ca 0.00 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 2wrl s HIS 79 Cb 0.00 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.66 2wrl s HIS 79 CO 0.00 -0.81 0.00 0.45 -0.85 0.00 0.00 174.74 173.53 2wrl n SER 80 N -0.29 0.00 -2.89 1.40 2.88 -1.26 -4.67 113.62 108.80 2wrl n SER 80 Ca -0.04 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.11 2wrl n SER 80 Cb 0.63 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.12 2wrl n SER 80 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wrl n PRO 81 N 0.00 2.74 -4.02 -1.46 -0.04 -1.26 -4.86 135.00 126.10 2wrl n PRO 81 Ca 0.00 -3.42 -0.33 0.00 -0.04 0.00 0.00 63.50 59.71 2wrl n PRO 81 Cb 0.00 -2.26 -0.15 0.00 -0.04 0.00 0.00 33.50 31.05 2wrl n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wrl s LEU 82 N -3.91 3.75 0.06 1.53 1.02 -1.26 -3.53 118.68 116.34 2wrl s LEU 82 Ca 0.53 -1.48 -0.28 0.00 0.02 0.00 0.00 54.13 52.92 2wrl s LEU 82 Cb 0.43 -1.60 -0.14 0.00 0.02 0.00 0.00 46.19 44.91 2wrl s LEU 82 CO -0.40 -0.24 1.42 0.16 0.02 0.00 0.00 176.35 177.32 2wrl h ILE 83 N 6.68 0.00 -3.41 -0.59 3.07 -1.89 -3.46 117.51 117.92 2wrl h ILE 83 Ca -0.17 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2wrl h ILE 83 Cb 1.04 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.59 2wrl h ILE 83 CO 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.59 2wrl n GLN 84 N -4.75 1.61 -0.93 0.16 10.64 -1.26 -5.08 117.38 117.77 2wrl n GLN 84 Ca -0.10 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.01 2wrl n GLN 84 Cb 0.37 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.69 2wrl n GLN 84 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2wrl n LYS 85 N 0.00 0.00 -1.38 2.61 5.02 -1.26 -4.31 118.16 118.84 2wrl n LYS 85 Ca 0.00 -0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 55.05 2wrl n LYS 85 Cb 0.00 0.49 0.04 0.00 -0.02 0.00 0.00 35.03 35.55 2wrl n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2wrl n ILE 86 N 0.00 1.86 -4.42 -0.18 3.06 -1.26 -4.63 119.36 113.79 2wrl n ILE 86 Ca -0.24 -0.47 -0.26 0.00 -2.50 0.00 0.00 62.75 59.28 2wrl n ILE 86 Cb 0.64 -0.62 -0.11 0.00 0.54 0.00 0.00 39.64 40.09 2wrl n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wrl s ASP 87 N -1.24 3.38 0.00 9.51 -4.77 -1.26 -3.29 116.67 119.00 2wrl s ASP 87 Ca 0.66 -0.90 0.00 0.00 -3.30 0.00 0.00 52.55 49.01 2wrl s ASP 87 Cb -0.42 -0.25 0.00 0.00 -1.09 0.00 0.00 42.92 41.16 2wrl s ASP 87 CO 0.57 0.09 0.00 -0.38 0.70 0.00 0.00 175.17 176.15 2wrl n ILE 88 N 0.08 0.00 -3.81 2.11 2.08 -1.10 -4.93 119.36 113.79 2wrl n ILE 88 Ca -0.11 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.84 2wrl n ILE 88 Cb 0.57 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 39.34 2wrl n ILE 88 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2wrl s VAL 89 N 0.24 3.27 -1.11 1.39 1.01 -1.15 -4.93 120.40 119.12 2wrl s VAL 89 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.21 2wrl s VAL 89 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2wrl s VAL 89 CO 0.00 -0.48 0.63 1.67 0.00 0.00 0.00 175.10 176.93 2wrl n GLN 90 N 4.63 0.00 0.00 2.72 7.27 -1.26 -3.42 117.38 127.32 2wrl n GLN 90 Ca -0.06 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.20 2wrl n GLN 90 Cb 0.42 -1.57 0.00 0.00 2.41 0.00 0.00 30.24 31.51 2wrl n GLN 90 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2wrl n ARG 91 N -1.13 0.00 0.00 3.69 1.74 -1.26 -4.17 116.66 115.53 2wrl n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wrl n ARG 91 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 2wrl n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 92 N -0.22 0.36 2.80 -0.13 0.00 -1.26 -2.83 105.19 103.92 2wrl n GLY 92 Ca 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 46.02 46.63 2wrl n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl n ARG 93 N 0.00 -1.78 -1.57 1.61 5.12 -1.26 -4.15 116.66 114.63 2wrl n ARG 93 Ca 0.00 0.76 -0.47 0.00 -1.93 0.00 0.00 57.85 56.21 2wrl n ARG 93 Cb 0.00 -5.16 -0.05 0.00 -1.16 0.00 0.00 32.46 26.09 2wrl n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wrl n ALA 94 N 1.09 1.35 1.56 7.54 0.00 -1.26 -4.80 120.51 126.00 2wrl n ALA 94 Ca -0.08 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.38 2wrl n ALA 94 Cb 0.55 -2.70 0.39 0.00 0.00 0.00 0.00 19.45 17.70 2wrl n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrl n ARG 95 N 8.06 0.78 -3.77 0.00 5.12 -1.26 -4.81 116.66 120.78 2wrl n ARG 95 Ca 0.31 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 56.13 2wrl n ARG 95 Cb 0.34 -1.27 -0.07 0.00 -1.16 0.00 0.00 32.46 30.31 2wrl n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2wrl s ARG 96 N -2.00 0.82 0.00 5.56 1.70 -1.26 -5.12 118.95 118.65 2wrl s ARG 96 Ca 0.20 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.83 2wrl s ARG 96 Cb 0.09 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 2wrl s ARG 96 CO 0.15 -0.27 0.26 0.00 -1.08 0.00 0.00 175.30 174.37 2wrl n ALA 97 N 0.40 0.00 -2.43 7.88 0.00 -1.26 -4.60 120.51 120.50 2wrl n ALA 97 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 2wrl n ALA 97 Cb 0.60 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 2wrl n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wrl s LYS 98 N -0.52 4.30 -0.54 0.00 3.01 -1.26 -4.91 119.74 119.81 2wrl s LYS 98 Ca 0.00 0.75 0.05 0.00 -1.01 0.00 0.00 55.97 55.76 2wrl s LYS 98 Cb 0.00 -3.32 0.19 0.00 -1.01 0.00 0.00 37.83 33.69 2wrl s LYS 98 CO 0.00 0.43 0.47 1.47 0.51 0.00 0.00 175.35 178.24 2wrl n LEU 99 N 2.48 1.37 0.18 3.17 -0.00 -1.04 -4.86 117.00 118.30 2wrl n LEU 99 Ca -0.07 -4.85 0.09 0.00 -0.00 0.00 0.00 56.01 51.18 2wrl n LEU 99 Cb 0.51 -0.04 0.10 0.00 -0.00 0.00 0.00 43.42 43.99 2wrl n LEU 99 CO 0.43 1.88 0.58 1.88 -0.00 0.00 0.00 177.39 182.16 2wrl h TYR 100 N 5.12 0.00 0.00 1.47 -1.99 -1.96 -3.32 116.97 116.28 2wrl h TYR 100 Ca 0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.92 2wrl h TYR 100 Cb 0.82 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.55 2wrl h TYR 100 CO 0.48 0.14 0.43 0.27 -0.00 0.00 0.00 178.16 179.48 2wrl h PHE 101 N 0.00 0.00 -0.02 4.88 -0.00 -1.98 0.54 116.94 120.36 2wrl h PHE 101 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 57.82 2wrl h PHE 101 Cb 1.11 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.04 2wrl h PHE 101 CO 0.00 0.00 -0.63 -0.84 -0.00 0.00 0.00 178.31 176.84 2wrl h ILE 102 N 0.00 1.43 0.00 0.88 3.07 -1.83 -3.33 117.51 117.73 2wrl h ILE 102 Ca 0.00 -2.12 0.00 0.00 1.55 0.00 0.00 64.86 64.29 2wrl h ILE 102 Cb 0.87 2.12 0.00 0.00 -0.27 0.00 0.00 36.82 39.54 2wrl h ILE 102 CO 0.00 0.61 0.00 0.54 -1.05 0.00 0.00 178.15 178.25 2wrl n ARG 103 N -3.81 0.00 0.00 0.16 1.74 0.19 -3.83 116.66 111.10 2wrl n ARG 103 Ca -0.02 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 2wrl n ARG 103 Cb 0.63 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 2wrl n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wrl n ASN 104 N -1.70 0.00 -4.55 0.55 3.02 -1.25 -4.29 115.26 107.04 2wrl n ASN 104 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 2wrl n ASN 104 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2wrl n ASN 104 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wrl s LEU 105 N 0.00 3.32 0.05 3.41 1.43 -1.25 -4.90 118.68 120.73 2wrl s LEU 105 Ca 0.00 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 2wrl s LEU 105 Cb 0.00 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 2wrl s LEU 105 CO 0.00 -2.71 -0.05 -0.94 0.23 0.00 0.00 176.35 172.88 2wrl s SER 106 N 10.18 0.65 0.00 2.29 1.04 -1.25 -4.65 113.70 121.96 2wrl s SER 106 Ca 0.83 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2wrl s SER 106 Cb -0.14 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2wrl s SER 106 CO 0.22 -0.42 0.00 -0.90 0.98 0.00 0.00 173.24 173.12 2wrl n ASP 107 N 0.70 0.00 -0.08 7.02 5.75 -1.26 -4.84 116.55 123.84 2wrl n ASP 107 Ca -0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.50 2wrl n ASP 107 Cb 0.58 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.58 2wrl n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2wrl n ARG 108 N 0.00 0.90 -0.22 0.11 1.85 -1.26 -4.33 116.66 113.71 2wrl n ARG 108 Ca 0.00 0.06 0.03 0.00 -1.00 0.00 0.00 57.85 56.95 2wrl n ARG 108 Cb 0.00 -1.37 0.29 0.00 -1.05 0.00 0.00 32.46 30.33 2wrl n ARG 108 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wrl h GLU 109 N 0.00 0.89 -0.71 2.89 5.08 -1.93 0.72 114.58 121.52 2wrl h GLU 109 Ca -0.41 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.02 2wrl h GLU 109 Cb 1.73 -0.20 -0.09 0.00 0.50 0.00 0.00 28.75 30.70 2wrl h GLU 109 CO -0.03 0.59 0.28 0.82 -1.00 0.00 0.00 179.01 179.67 2wrl h ILE 110 N 0.92 0.70 -0.34 3.13 1.08 -1.83 0.28 117.51 121.44 2wrl h ILE 110 Ca 0.31 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.60 2wrl h ILE 110 Cb 0.07 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 2wrl h ILE 110 CO -0.09 0.08 0.03 -2.11 -0.69 0.00 0.00 178.15 175.37 2wrl n ARG 111 N -4.99 3.09 0.00 2.37 1.85 0.17 -1.98 116.66 117.17 2wrl n ARG 111 Ca 0.12 -1.77 0.00 0.00 -1.00 0.00 0.00 57.85 55.20 2wrl n ARG 111 Cb 0.36 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 2wrl n ARG 111 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wrl n ARG 112 N 0.29 4.25 -0.03 2.89 1.85 0.49 -4.57 116.66 121.82 2wrl n ARG 112 Ca 0.17 -0.04 0.03 0.00 -1.00 0.00 0.00 57.85 57.02 2wrl n ARG 112 Cb 0.82 -0.40 -0.13 0.00 -1.05 0.00 0.00 32.46 31.70 2wrl n ARG 112 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wrl n LYS 113 N -0.62 0.80 -3.46 2.89 4.76 0.69 -4.63 118.16 118.61 2wrl n LYS 113 Ca 0.00 -0.11 -0.28 0.00 -2.87 0.00 0.00 58.31 55.05 2wrl n LYS 113 Cb 0.01 -1.41 -0.08 0.00 -1.84 0.00 0.00 35.03 31.71 2wrl n LYS 113 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wrl n LEU 114 N -2.27 3.84 -4.84 -0.35 4.77 -0.84 -4.82 117.00 112.49 2wrl n LEU 114 Ca -0.11 -5.41 -0.29 0.00 -0.03 0.00 0.00 56.01 50.17 2wrl n LEU 114 Cb 0.64 -0.72 0.12 0.00 -2.33 0.00 0.00 43.42 41.13 2wrl n LEU 114 CO 0.36 2.00 0.75 -0.13 -1.33 0.00 0.00 177.39 179.04 2wrl s ARG 115 N -2.38 1.46 0.91 3.23 1.81 -1.26 -4.70 118.95 118.02 2wrl s ARG 115 Ca 0.38 0.18 -0.10 0.00 -1.72 0.00 0.00 55.73 54.47 2wrl s ARG 115 Cb 0.12 -1.89 0.14 0.00 -0.45 0.00 0.00 34.95 32.88 2wrl s ARG 115 CO -0.02 -1.95 1.14 0.00 -0.68 0.00 0.00 175.30 173.78 2wrl s ALA 116 N -3.43 1.50 -0.51 2.13 0.00 -1.26 -3.98 121.76 116.20 2wrl s ALA 116 Ca 0.63 0.56 0.07 0.00 0.00 0.00 0.00 51.96 53.22 2wrl s ALA 116 Cb -0.13 -3.43 0.26 0.00 0.00 0.00 0.00 23.12 19.82 2wrl s ALA 116 CO 0.51 -2.71 0.66 -3.47 0.00 0.00 0.00 175.76 170.75 2wrl n ASP 117 N -4.20 2.08 -0.36 0.00 2.03 -1.13 -4.77 116.55 110.20 2wrl n ASP 117 Ca 0.11 -3.10 0.34 0.00 0.52 0.00 0.00 54.79 52.66 2wrl n ASP 117 Cb 0.52 -0.65 0.61 0.00 -0.72 0.00 0.00 41.12 40.88 2wrl n ASP 117 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2wrl h ARG 118 N 3.99 0.01 -0.98 -0.67 3.08 -1.94 0.44 114.38 118.31 2wrl h ARG 118 Ca 0.13 -0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.44 2wrl h ARG 118 Cb 0.76 -0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.63 2wrl h ARG 118 CO 0.66 0.01 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.30 2wrl h LYS 119 N 0.01 0.01 0.00 0.04 3.64 -1.97 1.41 116.57 119.71 2wrl h LYS 119 Ca 0.86 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.95 2wrl h LYS 119 Cb 2.40 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 34.17 2wrl h LYS 119 CO -0.68 0.01 -1.69 0.00 -2.27 0.00 0.00 179.45 174.82 2wrl h ARG 120 N 0.01 0.01 0.39 1.90 3.08 -0.58 -3.23 114.38 115.95 2wrl h ARG 120 Ca 0.56 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.59 2wrl h ARG 120 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2wrl h ARG 120 CO -0.94 0.52 -0.33 0.82 -1.07 0.00 0.00 179.97 178.98 2wrl h ILE 121 N 0.00 0.00 -0.05 2.04 2.04 0.18 -2.21 117.51 119.51 2wrl h ILE 121 Ca -0.28 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2wrl h ILE 121 Cb 2.01 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 2wrl h ILE 121 CO 0.08 0.00 -0.44 0.44 0.00 0.00 0.00 178.15 178.24 2wrl h ASP 122 N -0.70 -1.36 0.00 1.72 3.32 0.13 -1.07 116.42 118.46 2wrl h ASP 122 Ca -0.05 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2wrl h ASP 122 Cb 0.59 0.52 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2wrl h ASP 122 CO -0.00 -0.41 0.43 0.06 -1.72 0.00 0.00 179.24 177.60 2wrl h GLN 123 N -0.51 0.00 0.21 3.56 3.07 -1.56 0.22 115.11 120.11 2wrl h GLN 123 Ca 0.02 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.41 2wrl h GLN 123 Cb 0.57 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.15 2wrl h GLN 123 CO -0.32 0.00 -1.63 -0.44 0.09 0.00 0.00 178.83 176.53 2wrl h ASP 124 N 0.00 0.71 -0.14 0.06 5.19 -0.55 -2.36 116.42 119.32 2wrl h ASP 124 Ca 0.00 -0.90 0.00 0.00 -0.62 0.00 0.00 57.03 55.51 2wrl h ASP 124 Cb 0.85 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 2wrl h ASP 124 CO 0.00 1.74 0.09 0.03 -3.12 0.00 0.00 179.24 177.98 2wrl h ARG 125 N 0.12 0.19 -0.74 3.56 2.47 -0.16 -1.46 114.38 118.36 2wrl h ARG 125 Ca -0.30 -0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.55 2wrl h ARG 125 Cb 2.13 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 30.36 2wrl h ARG 125 CO 0.22 0.12 0.49 0.00 0.56 0.00 0.00 179.97 181.37 2wrl h ALA 126 N 1.05 2.07 0.00 0.04 0.00 -1.28 0.28 119.26 121.42 2wrl h ALA 126 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wrl h ALA 126 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wrl h ALA 126 CO -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.98 2wrl n ALA 127 N -2.51 1.79 0.26 0.00 0.00 -0.55 -3.47 120.51 116.02 2wrl n ALA 127 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.76 2wrl n ALA 127 Cb 0.49 -1.00 0.89 0.00 0.00 0.00 0.00 19.45 19.84 2wrl n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wrl h GLU 128 N 0.42 0.00 -2.74 0.00 -0.00 -0.50 -3.45 114.58 108.31 2wrl h GLU 128 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.27 2wrl h GLU 128 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.93 2wrl h GLU 128 CO 0.00 0.00 -0.09 -2.13 -0.00 0.00 0.00 179.01 176.79 2wrl n ARG 129 N -3.37 -1.65 0.00 1.06 0.00 -1.23 -4.77 116.66 106.70 2wrl n ARG 129 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 2wrl n ARG 129 Cb 0.33 -4.48 0.00 0.00 0.00 0.00 0.00 32.46 28.30 2wrl n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrl n ALA 130 N -1.14 1.03 -2.97 5.13 0.00 -1.26 -3.63 120.51 117.66 2wrl n ALA 130 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 2wrl n ALA 130 Cb 0.28 -2.07 0.01 0.00 0.00 0.00 0.00 19.45 17.67 2wrl n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl n ALA 131 N 2.72 0.62 -1.00 0.00 0.00 -1.26 -5.10 120.51 116.49 2wrl n ALA 131 Ca 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 50.98 2wrl n ALA 131 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2wrl n ALA 131 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wrl n LYS 132 N 0.89 0.00 -2.07 0.00 0.00 -1.24 -5.02 118.16 110.72 2wrl n LYS 132 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 2wrl n LYS 132 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.66 2wrl n LYS 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wrl n GLU 133 N 0.00 -4.48 -3.68 -1.58 1.02 -1.26 -5.09 120.64 105.57 2wrl n GLU 133 Ca 0.00 3.17 -0.09 0.00 -0.02 0.00 0.00 57.16 60.22 2wrl n GLU 133 Cb 0.00 -3.66 -0.10 0.00 -0.02 0.00 0.00 31.44 27.67 2wrl n GLU 133 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wrl s GLU 134 N -0.43 0.49 0.00 3.49 2.02 -1.26 -5.01 118.70 118.00 2wrl s GLU 134 Ca 0.00 0.92 0.00 0.00 0.02 0.00 0.00 54.97 55.91 2wrl s GLU 134 Cb 0.00 0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.26 2wrl s GLU 134 CO 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 175.26 175.13 2wrl n ALA 135 N 4.24 0.00 -0.04 5.21 0.00 -1.26 -5.03 120.51 123.63 2wrl n ALA 135 Ca -0.22 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 2wrl n ALA 135 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 2wrl n ALA 135 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wrl h GLN 136 N 0.00 0.06 -5.15 0.00 5.75 -2.05 -3.44 115.11 110.27 2wrl h GLN 136 Ca 0.00 -0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.93 2wrl h GLN 136 Cb 0.00 -0.01 -0.13 0.00 1.07 0.00 0.00 27.48 28.40 2wrl h GLN 136 CO 0.00 0.04 -0.54 0.21 -2.65 0.00 0.00 178.83 175.89 2wrl s LYS 137 N -6.19 1.91 0.00 1.69 2.20 -1.26 -5.36 119.74 112.73 2wrl s LYS 137 Ca -0.13 -2.15 0.00 0.00 -0.36 0.00 0.00 55.97 53.32 2wrl s LYS 137 Cb 0.10 -0.91 0.00 0.00 -1.51 0.00 0.00 37.83 35.51 2wrl s LYS 137 CO 0.69 -0.36 0.00 0.00 -0.36 0.00 0.00 175.35 175.31