#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s ARG 4 N 0.00 3.11 -0.29 -0.72 1.81 -1.26 -1.81 118.95 119.79 2wrl s ARG 4 Ca 0.00 -0.84 0.01 0.00 -1.72 0.00 0.00 55.73 53.19 2wrl s ARG 4 Cb 0.00 -2.39 0.15 0.00 -0.45 0.00 0.00 34.95 32.26 2wrl s ARG 4 CO 0.00 0.15 0.37 -1.17 -0.68 0.00 0.00 175.30 173.97 2wrl s LEU 5 N 0.43 -0.61 0.21 2.53 0.20 -0.79 -4.97 118.68 115.69 2wrl s LEU 5 Ca -0.15 -0.52 -0.32 0.00 0.69 0.00 0.00 54.13 53.82 2wrl s LEU 5 Cb -0.17 0.91 -0.13 0.00 -0.43 0.00 0.00 46.19 46.37 2wrl s LEU 5 CO 0.07 -0.36 1.49 0.29 -0.29 0.00 0.00 176.35 177.54 2wrl n LYS 6 N 5.32 2.13 -4.20 1.98 4.01 -1.26 -3.32 118.16 122.82 2wrl n LYS 6 Ca 0.00 0.76 -0.32 0.00 -0.51 0.00 0.00 58.31 58.24 2wrl n LYS 6 Cb 0.48 -2.47 -0.08 0.00 -0.51 0.00 0.00 35.03 32.45 2wrl n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wrl s ALA 7 N 0.32 3.36 -0.05 7.82 0.00 -0.38 -4.73 121.76 128.10 2wrl s ALA 7 Ca 0.72 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2wrl s ALA 7 Cb -0.65 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.13 2wrl s ALA 7 CO 0.45 0.68 -0.09 0.71 0.00 0.00 0.00 175.76 177.51 2wrl s TYR 8 N -1.18 1.15 0.37 0.00 1.51 -1.11 -3.51 117.35 114.59 2wrl s TYR 8 Ca 0.22 -0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 55.64 2wrl s TYR 8 Cb -0.12 -0.89 -0.09 0.00 -0.11 0.00 0.00 41.96 40.75 2wrl s TYR 8 CO 0.14 -0.23 1.09 0.71 -1.11 0.00 0.00 175.55 176.15 2wrl s TYR 9 N 0.73 3.28 -0.26 2.71 4.12 -1.26 -1.97 117.35 124.70 2wrl s TYR 9 Ca -0.13 1.63 -0.08 0.00 0.02 0.00 0.00 57.07 58.51 2wrl s TYR 9 Cb -0.15 -3.23 -0.03 0.00 -1.52 0.00 0.00 41.96 37.02 2wrl s TYR 9 CO 0.02 -0.80 0.10 0.50 0.02 0.00 0.00 175.55 175.40 2wrl s ARG 10 N -2.21 3.73 -0.02 -0.62 3.52 -0.80 -4.85 118.95 117.71 2wrl s ARG 10 Ca 0.55 -0.44 -0.23 0.00 -0.13 0.00 0.00 55.73 55.48 2wrl s ARG 10 Cb -0.27 -3.41 -0.20 0.00 -1.56 0.00 0.00 34.95 29.52 2wrl s ARG 10 CO 0.33 -0.18 1.17 0.93 -0.81 0.00 0.00 175.30 176.75 2wrl h GLU 11 N 8.24 0.20 0.00 5.12 3.07 -1.94 -3.41 114.58 125.87 2wrl h GLU 11 Ca -0.37 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 2wrl h GLU 11 Cb 1.18 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2wrl h GLU 11 CO 0.57 0.79 0.00 0.41 -1.40 0.00 0.00 179.01 179.38 2wrl n GLY 12 N 0.62 -0.20 2.87 -3.84 0.00 -1.26 -5.07 105.19 98.32 2wrl n GLY 12 Ca -0.08 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 2wrl n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrl s GLU 13 N 0.00 1.18 -0.10 1.61 0.41 -1.26 -4.97 118.70 115.58 2wrl s GLU 13 Ca 0.00 -1.21 -0.04 0.00 -0.41 0.00 0.00 54.97 53.30 2wrl s GLU 13 Cb 0.00 -2.49 0.01 0.00 -1.78 0.00 0.00 34.13 29.86 2wrl s GLU 13 CO 0.00 -0.84 0.08 1.63 -0.49 0.00 0.00 175.26 175.64 2wrl n LYS 14 N 4.65 -0.93 -0.33 1.61 5.02 -1.26 -4.54 118.16 122.39 2wrl n LYS 14 Ca -0.04 1.14 0.35 0.00 -2.02 0.00 0.00 58.31 57.75 2wrl n LYS 14 Cb 0.43 -1.79 0.75 0.00 -0.02 0.00 0.00 35.03 34.39 2wrl n LYS 14 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2wrl h PRO 15 N 3.33 0.01 0.00 1.97 0.13 -2.03 -2.05 132.00 133.36 2wrl h PRO 15 Ca -0.06 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2wrl h PRO 15 Cb 0.90 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2wrl h PRO 15 CO 0.04 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.69 2wrl n SER 16 N -4.18 0.00 0.00 1.44 3.41 -1.26 -4.06 113.62 108.97 2wrl n SER 16 Ca 0.26 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2wrl n SER 16 Cb 1.25 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 2wrl n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wrl n ALA 17 N -1.76 0.00 -1.00 7.33 0.00 -0.77 -1.55 120.51 122.75 2wrl n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrl n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrl n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrl n LEU 18 N -3.25 0.00 -0.10 0.00 4.32 -1.21 -0.48 117.00 116.28 2wrl n LEU 18 Ca 0.00 0.40 0.24 0.00 -0.02 0.00 0.00 56.01 56.63 2wrl n LEU 18 Cb 0.00 0.00 0.69 0.00 -1.62 0.00 0.00 43.42 42.49 2wrl n LEU 18 CO 0.00 0.00 1.22 0.08 -1.22 0.00 0.00 177.39 177.47 2wrl h ARG 19 N 0.00 0.03 0.00 3.23 0.11 0.17 1.02 114.38 118.93 2wrl h ARG 19 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wrl h ARG 19 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 2wrl h ARG 19 CO 0.00 0.02 0.00 2.89 0.10 0.00 0.00 179.97 182.98 2wrl n ARG 20 N -4.33 0.40 -0.01 0.08 1.85 -0.64 -0.96 116.66 113.05 2wrl n ARG 20 Ca 0.14 0.06 0.09 0.00 -1.00 0.00 0.00 57.85 57.14 2wrl n ARG 20 Cb 0.78 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.55 2wrl n ARG 20 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wrl n ALA 21 N -1.23 2.76 0.00 2.89 0.00 0.35 -4.99 120.51 120.30 2wrl n ALA 21 Ca 0.12 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2wrl n ALA 21 Cb 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2wrl n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 22 N 1.47 1.53 2.97 0.00 0.00 -0.13 -5.08 105.19 105.94 2wrl n GLY 22 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2wrl n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s LYS 23 N -0.05 1.81 0.14 1.61 1.02 -1.10 -3.45 119.74 119.74 2wrl s LYS 23 Ca 0.00 -1.02 -0.32 0.00 0.02 0.00 0.00 55.97 54.65 2wrl s LYS 23 Cb 0.00 -2.61 -0.11 0.00 -0.52 0.00 0.00 37.83 34.59 2wrl s LYS 23 CO 0.00 -0.56 1.80 -0.11 -0.92 0.00 0.00 175.35 175.56 2wrl n LEU 24 N 4.63 3.98 -4.93 3.17 0.00 -1.26 -0.65 117.00 121.93 2wrl n LEU 24 Ca -0.13 1.01 -0.25 0.00 0.00 0.00 0.00 56.01 56.64 2wrl n LEU 24 Cb 0.44 -1.54 0.02 0.00 0.00 0.00 0.00 43.42 42.34 2wrl n LEU 24 CO 0.19 0.15 0.42 -2.16 0.00 0.00 0.00 177.39 175.99 2wrl s PRO 25 N 2.26 2.96 0.02 1.96 0.04 -1.26 -0.54 135.00 140.44 2wrl s PRO 25 Ca 0.80 -0.24 -0.14 0.00 0.04 0.00 0.00 61.00 61.46 2wrl s PRO 25 Cb -0.50 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 31.69 2wrl s PRO 25 CO 0.36 -0.52 0.66 0.41 0.04 0.00 0.00 177.00 177.95 2wrl n GLY 26 N -2.36 0.55 3.09 0.56 0.00 -1.18 -2.97 105.19 102.88 2wrl n GLY 26 Ca 0.03 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2wrl n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s VAL 27 N -2.14 0.54 0.01 1.61 0.11 0.19 -1.30 120.40 119.41 2wrl s VAL 27 Ca 0.15 -1.33 0.01 0.00 -2.93 0.00 0.00 61.98 57.88 2wrl s VAL 27 Cb -0.01 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 2wrl s VAL 27 CO 0.01 -0.55 -0.04 0.00 -3.33 0.00 0.00 175.10 171.19 2wrl s MET 28 N -2.29 0.28 0.00 1.54 0.23 -1.05 -0.63 119.30 117.38 2wrl s MET 28 Ca -0.04 -0.23 0.00 0.00 -1.03 0.00 0.00 55.69 54.39 2wrl s MET 28 Cb -0.05 -0.21 0.00 0.00 -1.53 0.00 0.00 34.83 33.04 2wrl s MET 28 CO -0.02 0.05 0.00 2.48 -2.03 0.00 0.00 175.02 175.51 2wrl n TYR 29 N 2.68 -0.64 -0.92 3.16 0.18 -0.47 -1.24 117.16 119.91 2wrl n TYR 29 Ca -0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.63 2wrl n TYR 29 Cb 0.58 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 2wrl n TYR 29 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2wrl n ASN 30 N -0.72 0.00 0.00 9.48 6.94 -1.26 -0.76 115.26 128.94 2wrl n ASN 30 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2wrl n ASN 30 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wrl n ASN 30 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2wrl n ARG 31 N -0.23 0.00 0.00 -3.83 1.85 -1.26 -4.25 116.66 108.94 2wrl n ARG 31 Ca 0.00 0.35 0.00 0.00 -1.00 0.00 0.00 57.85 57.20 2wrl n ARG 31 Cb 0.00 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 29.88 2wrl n ARG 31 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wrl n HIS 32 N -1.35 0.00 -4.58 2.89 8.25 -1.26 -5.09 115.22 114.09 2wrl n HIS 32 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2wrl n HIS 32 Cb 0.03 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.03 2wrl n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2wrl s LEU 33 N 0.00 3.17 0.10 2.41 2.96 -1.26 -5.10 118.68 120.96 2wrl s LEU 33 Ca 0.00 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 2wrl s LEU 33 Cb 0.00 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2wrl s LEU 33 CO 0.00 0.31 -0.17 0.54 -1.32 0.00 0.00 176.35 175.71 2wrl s ASN 34 N -0.49 2.19 -0.09 3.68 4.22 -1.26 -3.99 114.94 119.21 2wrl s ASN 34 Ca 0.07 -0.70 -0.22 0.00 -2.14 0.00 0.00 52.86 49.87 2wrl s ASN 34 Cb -0.12 -0.10 0.05 0.00 1.28 0.00 0.00 41.25 42.36 2wrl s ASN 34 CO 0.02 -0.03 0.52 -0.13 -2.04 0.00 0.00 177.10 175.44 2wrl s ARG 35 N -2.08 0.79 0.61 3.55 1.81 -0.37 -4.98 118.95 118.28 2wrl s ARG 35 Ca 0.05 0.29 -0.17 0.00 -1.72 0.00 0.00 55.73 54.18 2wrl s ARG 35 Cb -0.09 0.37 -0.03 0.00 -0.45 0.00 0.00 34.95 34.76 2wrl s ARG 35 CO 0.04 -0.20 1.14 0.15 -0.68 0.00 0.00 175.30 175.75 2wrl s LYS 36 N -0.72 3.00 0.00 3.54 1.02 -1.26 -2.53 119.74 122.79 2wrl s LYS 36 Ca -0.08 1.56 0.00 0.00 0.02 0.00 0.00 55.97 57.47 2wrl s LYS 36 Cb -0.03 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2wrl s LYS 36 CO 0.05 -1.12 0.00 1.33 -0.92 0.00 0.00 175.35 174.69 2wrl n VAL 37 N -1.87 0.00 0.00 3.17 0.24 -0.42 -1.91 118.33 117.54 2wrl n VAL 37 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 2wrl n VAL 37 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2wrl n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wrl n TYR 38 N 0.00 0.00 -3.48 6.34 0.18 -0.83 -3.11 117.16 116.25 2wrl n TYR 38 Ca 0.00 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.54 2wrl n TYR 38 Cb 0.00 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 38.83 2wrl n TYR 38 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 2wrl s VAL 39 N -1.16 -0.18 0.00 -3.48 -7.23 0.30 -2.74 120.40 105.91 2wrl s VAL 39 Ca 0.00 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2wrl s VAL 39 Cb 0.00 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.96 2wrl s VAL 39 CO 0.00 -0.65 0.00 -0.67 -0.31 0.00 0.00 175.10 173.47 2wrl n ASP 40 N 5.18 0.00 0.00 4.85 -0.08 -1.26 -4.27 116.55 120.96 2wrl n ASP 40 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2wrl n ASP 40 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 2wrl n ASP 40 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2wrl n LEU 41 N 0.00 0.00 0.00 -2.67 4.77 -1.22 -2.89 117.00 114.99 2wrl n LEU 41 Ca 0.00 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 2wrl n LEU 41 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2wrl n LEU 41 CO 0.00 -0.22 0.00 0.55 -1.33 0.00 0.00 177.39 176.39 2wrl n VAL 42 N -1.65 0.00 -0.04 4.08 3.14 -1.26 0.67 118.33 123.27 2wrl n VAL 42 Ca 0.00 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wrl n VAL 42 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2wrl n VAL 42 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2wrl h GLU 43 N 0.00 0.00 -0.90 1.45 4.11 -1.86 -3.08 114.58 114.30 2wrl h GLU 43 Ca 0.00 0.00 0.22 0.00 0.07 0.00 0.00 59.36 59.65 2wrl h GLU 43 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 2wrl h GLU 43 CO 0.00 0.00 -0.04 0.35 0.07 0.00 0.00 179.01 179.39 2wrl h PHE 44 N -0.81 -0.16 0.24 2.06 3.04 0.38 1.92 116.94 123.62 2wrl h PHE 44 Ca 0.00 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 2wrl h PHE 44 Cb 0.02 0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2wrl h PHE 44 CO -0.01 -0.36 -0.13 0.22 -2.02 0.00 0.00 178.31 176.01 2wrl h ASP 45 N 0.04 -0.31 0.00 0.41 -0.00 -1.37 4.73 116.42 119.91 2wrl h ASP 45 Ca 0.50 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.54 2wrl h ASP 45 Cb 0.93 0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.34 2wrl h ASP 45 CO -0.85 -0.21 0.49 0.50 -0.00 0.00 0.00 179.24 179.18 2wrl h LYS 46 N -0.34 0.00 0.03 0.28 3.64 -0.87 0.65 116.57 119.96 2wrl h LYS 46 Ca -0.03 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.02 2wrl h LYS 46 Cb 0.26 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2wrl h LYS 46 CO 0.05 0.00 -1.79 0.28 -2.27 0.00 0.00 179.45 175.72 2wrl n VAL 47 N -2.53 1.58 -0.10 2.00 0.31 0.63 -4.45 118.33 115.77 2wrl n VAL 47 Ca -0.01 -0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 63.93 2wrl n VAL 47 Cb 0.52 -1.90 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 2wrl n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2wrl h PHE 48 N -0.71 0.60 -1.36 3.52 3.04 1.25 -1.10 116.94 122.17 2wrl h PHE 48 Ca -0.46 -0.12 0.40 0.00 3.98 0.00 0.00 57.97 61.76 2wrl h PHE 48 Cb 1.57 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.87 2wrl h PHE 48 CO 0.05 0.72 1.27 0.54 -2.02 0.00 0.00 178.31 178.87 2wrl n ARG 49 N -4.52 0.01 -0.01 1.11 5.12 0.19 0.28 116.66 118.84 2wrl n ARG 49 Ca -0.03 1.01 -0.01 0.00 -1.93 0.00 0.00 57.85 56.89 2wrl n ARG 49 Cb 0.30 -2.45 -0.01 0.00 -1.16 0.00 0.00 32.46 29.13 2wrl n ARG 49 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2wrl n GLN 50 N -3.44 2.99 0.17 5.56 6.02 -1.19 -4.80 117.38 122.68 2wrl n GLN 50 Ca 0.31 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.20 2wrl n GLN 50 Cb 1.68 -1.04 -0.06 0.00 1.02 0.00 0.00 30.24 31.84 2wrl n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrl h ALA 51 N 0.07 -0.48 -0.50 -1.58 0.00 0.33 -3.48 119.26 113.61 2wrl h ALA 51 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wrl h ALA 51 Cb 1.10 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wrl h ALA 51 CO 0.00 -0.50 0.00 0.45 0.00 0.00 0.00 179.25 179.20 2wrl n SER 52 N -5.11 0.00 -1.99 0.00 2.88 0.14 -3.39 113.62 106.15 2wrl n SER 52 Ca -0.08 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.48 2wrl n SER 52 Cb 0.25 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.74 2wrl n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2wrl n ILE 53 N 0.00 0.45 -0.04 2.46 -5.35 -1.26 -4.63 119.36 110.99 2wrl n ILE 53 Ca 0.00 -1.64 -0.05 0.00 -0.27 0.00 0.00 62.75 60.79 2wrl n ILE 53 Cb 0.00 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.95 2wrl n ILE 53 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2wrl n HIS 54 N 0.02 0.00 -4.51 4.28 8.25 -1.22 -4.67 115.22 117.37 2wrl n HIS 54 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 2wrl n HIS 54 Cb 0.99 -0.32 -0.11 0.00 1.12 0.00 0.00 29.99 31.68 2wrl n HIS 54 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2wrl s HIS 55 N -2.16 3.03 0.45 4.41 3.76 -1.26 -5.01 115.29 118.51 2wrl s HIS 55 Ca -0.10 0.07 -0.24 0.00 -0.15 0.00 0.00 55.06 54.64 2wrl s HIS 55 Cb 0.03 -1.76 -0.09 0.00 1.11 0.00 0.00 32.58 31.87 2wrl s HIS 55 CO 0.20 0.36 1.18 0.28 -0.85 0.00 0.00 174.74 175.91 2wrl n VAL 56 N 2.28 2.76 -4.78 -0.90 0.31 -1.26 -4.90 118.33 111.84 2wrl n VAL 56 Ca -0.18 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.32 2wrl n VAL 56 Cb 0.53 -1.43 -0.15 0.00 -0.91 0.00 0.00 33.84 31.88 2wrl n VAL 56 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wrl s ILE 57 N -1.26 2.80 -0.22 2.52 1.09 0.40 -4.31 121.20 122.22 2wrl s ILE 57 Ca 0.64 -0.75 -0.14 0.00 -1.10 0.00 0.00 60.65 59.31 2wrl s ILE 57 Cb -0.50 -2.16 -0.04 0.00 -1.06 0.00 0.00 42.46 38.69 2wrl s ILE 57 CO 0.56 0.53 0.30 -0.69 -0.10 0.00 0.00 174.94 175.54 2wrl s VAL 58 N 0.48 5.26 -0.46 2.92 1.01 -0.75 -0.15 120.40 128.71 2wrl s VAL 58 Ca -0.11 0.49 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 2wrl s VAL 58 Cb -0.16 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.64 2wrl s VAL 58 CO 0.05 0.29 0.38 -0.76 0.00 0.00 0.00 175.10 175.06 2wrl s LEU 59 N 1.21 5.49 -0.85 3.92 1.43 0.25 -1.88 118.68 128.25 2wrl s LEU 59 Ca 0.14 -1.22 -0.25 0.00 -1.03 0.00 0.00 54.13 51.77 2wrl s LEU 59 Cb -0.14 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 43.93 2wrl s LEU 59 CO 0.07 -0.61 1.33 -1.61 0.23 0.00 0.00 176.35 175.76 2wrl s GLU 60 N 1.67 3.35 0.53 1.70 2.02 -1.21 -1.94 118.70 124.82 2wrl s GLU 60 Ca 0.05 -0.63 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 2wrl s GLU 60 Cb -0.23 -4.65 -0.07 0.00 0.10 0.00 0.00 34.13 29.28 2wrl s GLU 60 CO 0.08 -2.15 1.00 -0.51 0.02 0.00 0.00 175.26 173.70 2wrl s LEU 61 N 5.32 3.61 0.00 1.80 1.43 0.71 -1.25 118.68 130.30 2wrl s LEU 61 Ca 0.39 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 2wrl s LEU 61 Cb -0.05 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.65 2wrl s LEU 61 CO 0.05 -0.73 0.25 -2.65 0.23 0.00 0.00 176.35 173.50 2wrl n PRO 62 N -1.64 0.35 -0.50 1.29 -0.02 -1.23 -0.03 135.00 133.22 2wrl n PRO 62 Ca 0.07 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.61 2wrl n PRO 62 Cb 0.54 -1.24 0.10 0.00 -0.02 0.00 0.00 33.50 32.88 2wrl n PRO 62 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wrl n ASP 63 N 0.54 1.41 0.00 2.55 8.00 -1.26 -4.95 116.55 122.84 2wrl n ASP 63 Ca 0.00 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.67 2wrl n ASP 63 Cb 0.13 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2wrl n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wrl n GLY 64 N -0.72 1.05 1.19 0.44 0.00 0.96 -4.89 105.19 103.22 2wrl n GLY 64 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2wrl n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrl n GLN 65 N 0.00 0.00 -3.56 1.61 6.02 -1.24 -4.19 117.38 116.02 2wrl n GLN 65 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2wrl n GLN 65 Cb 0.00 -0.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.65 2wrl n GLN 65 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wrl s SER 66 N 0.13 2.62 0.44 1.08 1.04 -1.21 0.25 113.70 118.05 2wrl s SER 66 Ca 0.31 -3.16 -0.15 0.00 0.48 0.00 0.00 55.95 53.43 2wrl s SER 66 Cb -0.44 -0.80 -0.08 0.00 0.10 0.00 0.00 66.02 64.81 2wrl s SER 66 CO 0.20 -0.17 0.87 -0.76 0.98 0.00 0.00 173.24 174.37 2wrl s LEU 67 N -0.23 3.80 -0.19 2.42 1.02 -0.82 -4.63 118.68 120.06 2wrl s LEU 67 Ca 0.28 1.40 -0.14 0.00 0.02 0.00 0.00 54.13 55.69 2wrl s LEU 67 Cb -0.03 -4.28 -0.04 0.00 0.02 0.00 0.00 46.19 41.85 2wrl s LEU 67 CO -0.16 -0.44 0.29 -2.16 0.02 0.00 0.00 176.35 173.91 2wrl s PRO 68 N -3.71 4.20 0.24 1.29 0.04 -1.26 0.84 135.00 136.64 2wrl s PRO 68 Ca 0.56 0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 2wrl s PRO 68 Cb -0.10 -3.48 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 2wrl s PRO 68 CO 0.27 0.13 0.42 0.95 0.04 0.00 0.00 177.00 178.81 2wrl s THR 69 N 0.81 0.00 -0.02 1.26 -4.23 0.79 -1.43 115.64 112.82 2wrl s THR 69 Ca 0.15 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2wrl s THR 69 Cb -0.13 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 2wrl s THR 69 CO 0.05 -0.01 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.22 2wrl s LEU 70 N -3.03 1.92 -0.30 4.79 1.43 0.36 0.15 118.68 124.00 2wrl s LEU 70 Ca 0.24 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 2wrl s LEU 70 Cb 0.01 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.45 2wrl s LEU 70 CO 0.09 0.14 1.72 -0.69 0.23 0.00 0.00 176.35 177.83 2wrl s VAL 71 N -0.07 3.57 -0.08 -1.59 1.01 -1.26 -0.41 120.40 121.57 2wrl s VAL 71 Ca 0.00 0.60 0.15 0.00 0.00 0.00 0.00 61.98 62.73 2wrl s VAL 71 Cb -0.08 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.43 2wrl s VAL 71 CO 0.01 -0.40 0.79 0.03 0.00 0.00 0.00 175.10 175.53 2wrl h ARG 72 N 12.01 0.00 -3.24 2.72 2.47 -1.74 -3.45 114.38 123.16 2wrl h ARG 72 Ca -0.33 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.30 2wrl h ARG 72 Cb 1.16 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.31 2wrl h ARG 72 CO 1.02 0.40 -0.20 -1.14 0.56 0.00 0.00 179.97 180.62 2wrl s GLN 73 N -2.78 0.86 -0.26 0.04 0.74 -1.23 -5.01 119.66 112.02 2wrl s GLN 73 Ca -0.03 -0.48 -0.02 0.00 0.05 0.00 0.00 55.36 54.87 2wrl s GLN 73 Cb 0.08 0.37 0.15 0.00 1.10 0.00 0.00 33.01 34.72 2wrl s GLN 73 CO 0.82 -0.28 0.46 0.08 -0.55 0.00 0.00 175.29 175.81 2wrl s VAL 74 N -2.62 -0.75 -0.13 1.34 1.01 -1.26 -2.28 120.40 115.71 2wrl s VAL 74 Ca -0.04 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2wrl s VAL 74 Cb -0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2wrl s VAL 74 CO -0.04 -0.08 0.85 0.20 0.00 0.00 0.00 175.10 176.04 2wrl s ASN 75 N 2.66 7.03 0.68 3.32 -0.87 -0.91 -4.98 114.94 121.87 2wrl s ASN 75 Ca 0.16 1.27 -0.11 0.00 -1.57 0.00 0.00 52.86 52.60 2wrl s ASN 75 Cb -0.15 -2.47 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 2wrl s ASN 75 CO -0.18 -0.36 1.06 -0.76 -2.57 0.00 0.00 177.10 174.30 2wrl s LEU 76 N 1.88 3.00 0.00 0.60 1.43 -1.26 -0.83 118.68 123.50 2wrl s LEU 76 Ca 0.41 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.74 2wrl s LEU 76 Cb -0.17 -4.00 0.49 0.00 0.03 0.00 0.00 46.19 42.53 2wrl s LEU 76 CO 0.15 -1.21 1.01 -0.67 0.23 0.00 0.00 176.35 175.86 2wrl n ASP 77 N -2.91 0.00 0.00 2.29 2.03 -0.89 -4.69 116.55 112.37 2wrl n ASP 77 Ca 0.06 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2wrl n ASP 77 Cb 0.57 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2wrl n ASP 77 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wrl n LYS 78 N -1.08 0.00 -3.96 -0.67 4.76 -1.26 -4.53 118.16 111.42 2wrl n LYS 78 Ca 0.06 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 2wrl n LYS 78 Cb 0.04 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.09 2wrl n LYS 78 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2wrl s ARG 79 N 0.00 1.89 0.00 1.97 1.70 -1.26 -4.80 118.95 118.45 2wrl s ARG 79 Ca 0.00 -2.50 0.00 0.00 -0.47 0.00 0.00 55.73 52.76 2wrl s ARG 79 Cb 0.00 -3.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 2wrl s ARG 79 CO 0.00 -1.08 0.00 0.54 -1.08 0.00 0.00 175.30 173.68 2wrl n ARG 80 N 3.31 0.00 0.00 3.89 5.12 -1.26 -4.94 116.66 122.77 2wrl n ARG 80 Ca 0.05 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2wrl n ARG 80 Cb 0.34 -0.06 0.00 0.00 -1.16 0.00 0.00 32.46 31.57 2wrl n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2wrl n ARG 81 N -0.03 0.00 -3.15 5.56 1.85 -1.26 -4.65 116.66 114.97 2wrl n ARG 81 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 2wrl n ARG 81 Cb 0.01 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.42 2wrl n ARG 81 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2wrl s ARG 82 N 0.00 0.56 0.16 2.89 3.52 -1.26 -4.86 118.95 119.96 2wrl s ARG 82 Ca 0.00 0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 55.85 2wrl s ARG 82 Cb 0.00 0.25 -0.17 0.00 -1.56 0.00 0.00 34.95 33.47 2wrl s ARG 82 CO 0.00 -1.02 0.79 -2.30 -0.81 0.00 0.00 175.30 171.95 2wrl n PRO 83 N 5.42 0.33 -0.00 5.12 -0.02 -1.26 -2.09 135.00 142.49 2wrl n PRO 83 Ca 0.05 0.12 0.03 0.00 -2.02 0.00 0.00 63.50 61.67 2wrl n PRO 83 Cb 0.54 -1.34 -0.04 0.00 -0.02 0.00 0.00 33.50 32.64 2wrl n PRO 83 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wrl n GLU 84 N 1.19 2.26 -3.61 -0.52 1.02 -0.01 -4.82 120.64 116.15 2wrl n GLU 84 Ca 0.17 -0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2wrl n GLU 84 Cb 0.22 -0.98 -0.05 0.00 -0.02 0.00 0.00 31.44 30.61 2wrl n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2wrl s HIS 85 N -2.04 -0.25 0.01 -0.32 5.04 -1.24 -4.49 115.29 112.00 2wrl s HIS 85 Ca -0.00 0.45 0.01 0.00 -1.54 0.00 0.00 55.06 53.98 2wrl s HIS 85 Cb 0.04 0.46 -0.01 0.00 0.04 0.00 0.00 32.58 33.11 2wrl s HIS 85 CO 0.24 -0.21 -0.04 0.08 -2.34 0.00 0.00 174.74 172.46 2wrl s VAL 86 N -0.92 0.32 -0.16 0.89 1.01 -1.16 -2.15 120.40 118.24 2wrl s VAL 86 Ca 0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2wrl s VAL 86 Cb -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 2wrl s VAL 86 CO -0.03 -0.08 -0.08 -1.81 0.00 0.00 0.00 175.10 173.10 2wrl s ASP 87 N -0.57 4.36 -0.34 3.32 1.11 -0.96 0.55 116.67 124.15 2wrl s ASP 87 Ca -0.03 -0.27 -0.08 0.00 0.18 0.00 0.00 52.55 52.35 2wrl s ASP 87 Cb -0.04 -1.70 0.03 0.00 1.07 0.00 0.00 42.92 42.27 2wrl s ASP 87 CO -0.00 0.13 0.12 -0.36 1.18 0.00 0.00 175.17 176.24 2wrl s PHE 88 N 0.60 3.22 -0.32 4.23 0.40 0.20 -1.91 117.98 124.40 2wrl s PHE 88 Ca -0.05 -1.17 -0.29 0.00 -0.60 0.00 0.00 56.93 54.82 2wrl s PHE 88 Cb -0.15 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.08 2wrl s PHE 88 CO 0.03 -0.66 1.18 0.12 0.70 0.00 0.00 175.22 176.58 2wrl s PHE 89 N 1.47 2.93 -0.20 0.36 5.99 0.45 -1.37 117.98 127.62 2wrl s PHE 89 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 56.93 57.66 2wrl s PHE 89 Cb -0.19 -3.84 -0.00 0.00 0.00 0.00 0.00 43.02 38.99 2wrl s PHE 89 CO 0.04 -1.21 1.12 0.08 -0.00 0.00 0.00 175.22 175.25 2wrl s VAL 90 N 4.01 4.54 0.24 3.12 1.01 0.06 -0.49 120.40 132.88 2wrl s VAL 90 Ca 0.50 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 64.04 2wrl s VAL 90 Cb -0.14 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 2wrl s VAL 90 CO 0.20 -0.15 1.16 -0.76 0.00 0.00 0.00 175.10 175.55 2wrl s LEU 91 N 3.21 4.49 0.00 3.92 1.43 -0.51 -4.81 118.68 126.40 2wrl s LEU 91 Ca 0.48 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 2wrl s LEU 91 Cb -0.18 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2wrl s LEU 91 CO 0.10 -0.28 0.00 -0.24 0.23 0.00 0.00 176.35 176.16 2wrl n SER 92 N 1.79 0.00 -2.18 2.29 2.88 -1.26 -4.80 113.62 112.34 2wrl n SER 92 Ca 0.02 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2wrl n SER 92 Cb 0.44 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.96 2wrl n SER 92 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wrl n ASP 93 N 0.00 2.52 -4.08 -3.46 5.75 -1.26 -4.66 116.55 111.36 2wrl n ASP 93 Ca 0.00 -2.72 -0.19 0.00 -0.01 0.00 0.00 54.79 51.87 2wrl n ASP 93 Cb 0.00 -0.42 -0.14 0.00 -1.03 0.00 0.00 41.12 39.54 2wrl n ASP 93 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wrl s GLU 94 N -3.14 0.81 0.11 0.11 2.02 -1.26 -4.96 118.70 112.39 2wrl s GLU 94 Ca 0.36 -0.55 -0.31 0.00 0.02 0.00 0.00 54.97 54.50 2wrl s GLU 94 Cb 0.36 -0.77 -0.10 0.00 0.10 0.00 0.00 34.13 33.73 2wrl s GLU 94 CO -0.04 0.20 1.75 -1.25 0.02 0.00 0.00 175.26 175.94 2wrl s PRO 95 N -0.73 4.16 -0.14 0.39 0.04 -1.26 -4.04 135.00 133.42 2wrl s PRO 95 Ca 0.01 2.49 0.02 0.00 0.04 0.00 0.00 61.00 63.56 2wrl s PRO 95 Cb -0.06 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.94 2wrl s PRO 95 CO 0.00 -0.79 -0.20 0.54 0.04 0.00 0.00 177.00 176.59 2wrl s VAL 96 N 2.58 1.94 -0.17 -0.36 0.11 0.11 -4.80 120.40 119.81 2wrl s VAL 96 Ca 0.78 -0.90 -0.31 0.00 -2.93 0.00 0.00 61.98 58.62 2wrl s VAL 96 Cb -0.44 -1.73 -0.08 0.00 -1.53 0.00 0.00 36.38 32.60 2wrl s VAL 96 CO 0.34 0.53 2.12 -0.62 -3.33 0.00 0.00 175.10 174.14 2wrl n GLU 97 N 4.23 2.02 -4.26 1.54 4.71 -1.25 -4.09 120.64 123.53 2wrl n GLU 97 Ca -0.20 0.63 -0.14 0.00 -0.01 0.00 0.00 57.16 57.44 2wrl n GLU 97 Cb 0.51 -2.98 -0.10 0.00 -1.01 0.00 0.00 31.44 27.86 2wrl n GLU 97 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wrl s MET 98 N 5.66 1.21 -0.44 3.49 0.23 0.11 -4.89 119.30 124.67 2wrl s MET 98 Ca 0.99 -1.61 -0.20 0.00 -1.03 0.00 0.00 55.69 53.84 2wrl s MET 98 Cb -0.49 -0.22 0.02 0.00 -1.53 0.00 0.00 34.83 32.61 2wrl s MET 98 CO 0.41 -0.20 0.60 0.71 -2.03 0.00 0.00 175.02 174.51 2wrl s TYR 99 N -3.73 3.09 -0.06 3.16 4.12 -1.26 0.24 117.35 122.91 2wrl s TYR 99 Ca 0.29 -0.14 -0.12 0.00 0.02 0.00 0.00 57.07 57.12 2wrl s TYR 99 Cb 0.07 -3.25 -0.05 0.00 -1.52 0.00 0.00 41.96 37.21 2wrl s TYR 99 CO 0.07 -0.84 0.31 0.08 0.02 0.00 0.00 175.55 175.20 2wrl s VAL 100 N 2.66 5.22 0.78 0.71 1.01 0.16 -4.65 120.40 126.30 2wrl s VAL 100 Ca 0.20 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 2wrl s VAL 100 Cb -0.15 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.68 2wrl s VAL 100 CO 0.18 0.56 1.09 -2.16 0.00 0.00 0.00 175.10 174.76 2wrl s PRO 101 N -0.82 2.20 -0.12 2.72 0.04 -1.26 -0.92 135.00 136.84 2wrl s PRO 101 Ca 0.20 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.32 2wrl s PRO 101 Cb -0.15 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2wrl s PRO 101 CO 0.09 -1.65 -0.13 -0.51 0.04 0.00 0.00 177.00 174.83 2wrl s LEU 102 N -5.91 1.61 -0.64 -3.56 1.43 -1.06 -1.74 118.68 108.81 2wrl s LEU 102 Ca 0.61 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 2wrl s LEU 102 Cb -0.17 -1.05 0.11 0.00 0.03 0.00 0.00 46.19 45.12 2wrl s LEU 102 CO 0.56 -0.03 0.78 -0.60 0.23 0.00 0.00 176.35 177.29 2wrl s ARG 103 N 1.22 3.13 -0.75 1.70 3.52 -1.14 -4.94 118.95 121.70 2wrl s ARG 103 Ca -0.02 -1.37 -0.26 0.00 -0.13 0.00 0.00 55.73 53.94 2wrl s ARG 103 Cb -0.14 -4.33 0.01 0.00 -1.56 0.00 0.00 34.95 28.93 2wrl s ARG 103 CO -0.05 -1.58 1.55 -0.06 -0.81 0.00 0.00 175.30 174.35 2wrl s PHE 104 N 2.70 2.07 0.06 5.12 0.08 -1.26 -1.61 117.98 125.14 2wrl s PHE 104 Ca 0.15 0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.42 2wrl s PHE 104 Cb -0.21 -4.41 -0.04 0.00 -0.57 0.00 0.00 43.02 37.79 2wrl s PHE 104 CO 0.04 -2.11 -0.04 0.54 -0.10 0.00 0.00 175.22 173.55 2wrl s VAL 105 N 7.10 3.77 0.00 -0.44 0.11 -1.22 -4.99 120.40 124.73 2wrl s VAL 105 Ca 0.50 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2wrl s VAL 105 Cb -0.08 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.03 2wrl s VAL 105 CO 0.12 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.71 2wrl n GLY 106 N 0.93 -0.17 3.61 6.54 0.00 -1.26 -3.52 105.19 111.32 2wrl n GLY 106 Ca -0.13 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 2wrl n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wrl s THR 107 N -0.23 3.56 0.00 2.61 2.01 -1.26 -4.52 115.64 117.80 2wrl s THR 107 Ca 0.00 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.60 2wrl s THR 107 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2wrl s THR 107 CO 0.00 -0.34 0.00 -0.81 -0.69 0.00 0.00 174.62 172.78 2wrl n PRO 108 N 8.06 1.82 -0.09 4.92 -0.04 -1.26 -4.58 135.00 143.83 2wrl n PRO 108 Ca 0.21 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 2wrl n PRO 108 Cb 0.46 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.76 2wrl n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrl n ALA 109 N -3.00 1.50 0.00 0.55 0.00 0.29 -4.17 120.51 115.68 2wrl n ALA 109 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.20 2wrl n ALA 109 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2wrl n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 110 N 1.72 0.00 2.82 0.00 0.00 -1.19 -3.49 105.19 105.06 2wrl n GLY 110 Ca -0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2wrl n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrl s VAL 111 N -1.83 1.61 0.00 1.61 1.01 -1.26 -2.50 120.40 119.04 2wrl s VAL 111 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 59.72 2wrl s VAL 111 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2wrl s VAL 111 CO 0.00 -0.75 0.00 -1.14 0.00 0.00 0.00 175.10 173.21 2wrl n ARG 112 N 4.04 0.00 -0.03 2.72 0.00 -1.24 -4.86 116.66 117.29 2wrl n ARG 112 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.83 2wrl n ARG 112 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.81 2wrl n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrl n ALA 113 N 0.00 2.14 0.00 5.13 0.00 -1.23 -5.14 120.51 121.41 2wrl n ALA 113 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2wrl n ALA 113 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2wrl n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 114 N 2.92 0.64 0.55 0.00 0.00 -1.04 -5.07 105.19 103.18 2wrl n GLY 114 Ca -0.13 -2.18 0.05 0.00 0.00 0.00 0.00 46.02 43.77 2wrl n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLY 115 N 0.00 -2.98 3.27 -0.02 0.00 -1.25 -4.00 105.19 100.21 2wrl n GLY 115 Ca 0.00 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 2wrl n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrl s VAL 116 N -3.67 1.60 0.06 1.61 1.01 -0.91 -4.62 120.40 115.48 2wrl s VAL 116 Ca 0.00 -1.56 -0.31 0.00 0.00 0.00 0.00 61.98 60.11 2wrl s VAL 116 Cb 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 2wrl s VAL 116 CO 0.00 -0.15 1.34 -0.22 0.00 0.00 0.00 175.10 176.07 2wrl s LEU 117 N -2.01 4.35 -0.34 3.92 2.96 -1.26 -2.59 118.68 123.71 2wrl s LEU 117 Ca 0.06 2.17 -0.04 0.00 -0.22 0.00 0.00 54.13 56.10 2wrl s LEU 117 Cb -0.09 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.08 2wrl s LEU 117 CO 0.04 -0.62 0.10 -1.58 -1.32 0.00 0.00 176.35 172.97 2wrl s GLN 118 N 1.49 2.44 -0.87 1.98 0.74 0.08 -4.98 119.66 120.54 2wrl s GLN 118 Ca 0.63 -1.35 -0.06 0.00 0.05 0.00 0.00 55.36 54.62 2wrl s GLN 118 Cb -0.33 -3.41 -0.05 0.00 1.10 0.00 0.00 33.01 30.32 2wrl s GLN 118 CO 0.29 -0.75 2.06 -0.85 -0.55 0.00 0.00 175.29 175.49 2wrl n GLU 119 N 4.71 1.98 0.21 1.67 0.28 -1.26 -3.05 120.64 125.18 2wrl n GLU 119 Ca -0.11 -1.43 0.03 0.00 -0.16 0.00 0.00 57.16 55.49 2wrl n GLU 119 Cb 0.43 -2.45 0.15 0.00 1.43 0.00 0.00 31.44 31.00 2wrl n GLU 119 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2wrl h ILE 120 N 3.50 0.00 -0.13 3.84 1.08 -1.76 -3.35 117.51 120.69 2wrl h ILE 120 Ca 0.47 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 65.19 2wrl h ILE 120 Cb 0.17 0.12 -0.19 0.00 -3.07 0.00 0.00 36.82 33.86 2wrl h ILE 120 CO 1.45 0.00 0.06 -2.28 -0.69 0.00 0.00 178.15 176.68 2wrl s HIS 121 N -3.37 -0.24 -0.17 1.37 2.46 -0.09 -4.92 115.29 110.33 2wrl s HIS 121 Ca -0.01 0.15 0.07 0.00 0.47 0.00 0.00 55.06 55.74 2wrl s HIS 121 Cb 0.02 0.04 -0.22 0.00 -0.13 0.00 0.00 32.58 32.29 2wrl s HIS 121 CO 0.05 -0.14 0.15 2.89 -2.47 0.00 0.00 174.74 175.22 2wrl n ARG 122 N 5.07 0.68 -2.67 2.88 1.85 -1.26 -4.65 116.66 118.56 2wrl n ARG 122 Ca 0.09 0.16 -0.43 0.00 -1.00 0.00 0.00 57.85 56.67 2wrl n ARG 122 Cb 0.58 -1.61 -0.00 0.00 -1.05 0.00 0.00 32.46 30.38 2wrl n ARG 122 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wrl s ASP 123 N -6.26 6.86 0.11 2.89 1.11 -1.26 -2.56 116.67 117.57 2wrl s ASP 123 Ca -0.20 -2.49 -0.26 0.00 0.18 0.00 0.00 52.55 49.78 2wrl s ASP 123 Cb 0.07 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.46 2wrl s ASP 123 CO 0.74 -1.09 0.81 0.27 1.18 0.00 0.00 175.17 177.08 2wrl s ILE 124 N 3.62 4.52 0.21 0.77 -4.36 -0.10 -4.69 121.20 121.17 2wrl s ILE 124 Ca 0.50 1.74 -0.30 0.00 -0.26 0.00 0.00 60.65 62.34 2wrl s ILE 124 Cb 0.02 -4.16 -0.08 0.00 1.25 0.00 0.00 42.46 39.48 2wrl s ILE 124 CO 0.04 0.43 1.13 -0.22 0.24 0.00 0.00 174.94 176.56 2wrl s LEU 125 N -0.55 4.49 0.34 0.37 2.96 -1.26 0.41 118.68 125.44 2wrl s LEU 125 Ca 0.39 2.18 -0.02 0.00 -0.22 0.00 0.00 54.13 56.46 2wrl s LEU 125 Cb -0.22 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.86 2wrl s LEU 125 CO 0.26 -0.24 0.45 0.68 -1.32 0.00 0.00 176.35 176.17 2wrl s VAL 126 N -0.44 0.00 -0.16 1.68 -7.23 0.14 -3.37 120.40 111.01 2wrl s VAL 126 Ca 0.49 -1.64 -0.05 0.00 -1.81 0.00 0.00 61.98 58.96 2wrl s VAL 126 Cb -0.31 -2.62 0.08 0.00 0.56 0.00 0.00 36.38 34.09 2wrl s VAL 126 CO 0.37 0.00 0.32 -0.75 -0.31 0.00 0.00 175.10 174.73 2wrl s LYS 127 N -3.13 0.22 0.34 4.82 2.20 -0.93 0.04 119.74 123.30 2wrl s LYS 127 Ca 0.32 0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 56.69 2wrl s LYS 127 Cb -0.00 0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.38 2wrl s LYS 127 CO 0.21 -0.30 0.53 0.54 -0.36 0.00 0.00 175.35 175.97 2wrl s VAL 128 N 2.49 0.00 0.38 4.02 0.11 -1.26 -2.95 120.40 123.19 2wrl s VAL 128 Ca 0.01 -1.47 -0.09 0.00 -2.93 0.00 0.00 61.98 57.50 2wrl s VAL 128 Cb -0.12 -2.62 -0.06 0.00 -1.53 0.00 0.00 36.38 32.05 2wrl s VAL 128 CO -0.10 0.00 0.71 -0.44 -3.33 0.00 0.00 175.10 171.94 2wrl s SER 129 N -3.17 6.50 0.59 3.54 0.01 -1.26 0.09 113.70 119.99 2wrl s SER 129 Ca 0.27 1.02 0.17 0.00 1.31 0.00 0.00 55.95 58.72 2wrl s SER 129 Cb -0.01 -2.28 0.94 0.00 0.21 0.00 0.00 66.02 64.88 2wrl s SER 129 CO 0.17 -0.35 1.50 -0.65 0.41 0.00 0.00 173.24 174.32 2wrl h PRO 130 N 1.35 0.00 0.30 12.44 0.11 -1.83 0.17 132.00 144.53 2wrl h PRO 130 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2wrl h PRO 130 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wrl h PRO 130 CO 0.64 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.29 2wrl h ARG 131 N 0.00 -0.38 -4.98 1.05 3.08 -1.91 -3.39 114.38 107.85 2wrl h ARG 131 Ca 0.00 0.03 -0.65 0.00 0.07 0.00 0.00 59.98 59.43 2wrl h ARG 131 Cb 1.08 0.09 -0.22 0.00 0.08 0.00 0.00 29.97 30.99 2wrl h ARG 131 CO 0.00 -0.19 -0.63 -0.80 -1.07 0.00 0.00 179.97 177.28 2wrl s ASN 132 N -4.91 5.10 -0.35 7.04 0.01 0.59 -4.94 114.94 117.48 2wrl s ASN 132 Ca -0.15 -0.20 0.13 0.00 -0.71 0.00 0.00 52.86 51.93 2wrl s ASN 132 Cb 0.04 -1.91 0.45 0.00 0.41 0.00 0.00 41.25 40.24 2wrl s ASN 132 CO 0.63 -0.02 1.04 -0.38 -1.51 0.00 0.00 177.10 176.86 2wrl n ILE 133 N 4.82 1.59 -1.08 0.60 2.08 -1.26 -4.22 119.36 121.89 2wrl n ILE 133 Ca -0.16 -3.75 -0.42 0.00 0.56 0.00 0.00 62.75 58.98 2wrl n ILE 133 Cb 0.51 -0.04 -0.06 0.00 -0.75 0.00 0.00 39.64 39.30 2wrl n ILE 133 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2wrl n PRO 134 N -0.31 0.00 -0.87 0.38 -0.04 -1.26 -4.89 135.00 128.01 2wrl n PRO 134 Ca 0.21 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.38 2wrl n PRO 134 Cb 0.78 -0.93 0.24 0.00 -0.04 0.00 0.00 33.50 33.54 2wrl n PRO 134 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wrl s GLU 135 N 1.74 -1.20 0.00 0.54 2.02 -1.26 -4.83 118.70 115.71 2wrl s GLU 135 Ca 0.65 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.87 2wrl s GLU 135 Cb -0.92 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 31.74 2wrl s GLU 135 CO 0.50 -3.76 0.00 1.97 0.02 0.00 0.00 175.26 173.99 2wrl n PHE 136 N -4.85 0.00 -3.57 1.61 1.16 -1.26 -4.92 117.46 105.64 2wrl n PHE 136 Ca 0.09 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.27 2wrl n PHE 136 Cb 0.58 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.34 2wrl n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wrl s ILE 137 N 0.00 4.92 0.31 1.97 -1.09 -0.71 -4.88 121.20 121.72 2wrl s ILE 137 Ca 0.00 -0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 57.61 2wrl s ILE 137 Cb 0.00 -3.62 -0.11 0.00 -1.58 0.00 0.00 42.46 37.15 2wrl s ILE 137 CO 0.00 -0.11 1.45 -1.61 -1.23 0.00 0.00 174.94 173.45 2wrl s GLU 138 N 1.64 4.21 -0.28 2.79 2.02 -1.26 -2.89 118.70 124.93 2wrl s GLU 138 Ca 0.04 2.42 -0.08 0.00 0.02 0.00 0.00 54.97 57.38 2wrl s GLU 138 Cb -0.18 -3.04 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 2wrl s GLU 138 CO 0.08 -0.44 0.09 0.08 0.02 0.00 0.00 175.26 175.09 2wrl s VAL 139 N -0.59 4.26 -0.88 2.63 1.01 -0.63 -4.49 120.40 121.70 2wrl s VAL 139 Ca 0.56 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 2wrl s VAL 139 Cb -0.44 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2wrl s VAL 139 CO 0.52 0.19 1.75 -1.81 0.00 0.00 0.00 175.10 175.75 2wrl s ASP 140 N 1.58 5.62 -0.08 3.32 1.11 -1.26 -3.39 116.67 123.56 2wrl s ASP 140 Ca 0.05 -0.74 0.02 0.00 0.18 0.00 0.00 52.55 52.06 2wrl s ASP 140 Cb -0.16 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 41.28 2wrl s ASP 140 CO 0.04 -2.28 -0.15 -0.69 1.18 0.00 0.00 175.17 173.26 2wrl s VAL 141 N 8.19 1.39 0.03 -1.27 1.01 -1.23 -4.86 120.40 123.66 2wrl s VAL 141 Ca 0.60 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2wrl s VAL 141 Cb -0.06 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2wrl s VAL 141 CO 0.01 0.41 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 2wrl n SER 142 N 3.84 -0.26 -2.78 3.32 3.41 -1.26 -4.23 113.62 115.65 2wrl n SER 142 Ca -0.21 0.27 -0.22 0.00 -0.26 0.00 0.00 58.87 58.45 2wrl n SER 142 Cb 0.52 0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 64.89 2wrl n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrl n GLY 143 N -1.06 3.23 2.89 5.00 0.00 -1.26 -2.62 105.19 111.37 2wrl n GLY 143 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 2wrl n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrl s LEU 144 N 0.08 -0.06 0.49 0.99 2.01 -1.26 -4.99 118.68 115.94 2wrl s LEU 144 Ca 0.54 0.40 0.03 0.00 0.01 0.00 0.00 54.13 55.10 2wrl s LEU 144 Cb 0.19 0.39 -0.03 0.00 0.01 0.00 0.00 46.19 46.75 2wrl s LEU 144 CO -0.03 -0.23 0.01 -0.70 1.01 0.00 0.00 176.35 176.41 2wrl s GLU 145 N 2.21 2.15 0.00 1.70 2.56 -1.26 0.11 118.70 126.17 2wrl s GLU 145 Ca 0.01 -2.33 0.00 0.00 0.00 0.00 0.00 54.97 52.66 2wrl s GLU 145 Cb -0.12 -1.57 0.00 0.00 2.00 0.00 0.00 34.13 34.44 2wrl s GLU 145 CO -0.06 -0.30 0.02 0.44 -0.56 0.00 0.00 175.26 174.80 2wrl n ILE 146 N -1.21 0.00 0.00 -3.70 -5.35 -1.26 -4.09 119.36 103.75 2wrl n ILE 146 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2wrl n ILE 146 Cb 0.67 -0.58 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 2wrl n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrl n GLY 147 N -0.19 1.10 0.00 3.28 0.00 -1.26 -4.80 105.19 103.32 2wrl n GLY 147 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2wrl n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wrl n ASP 148 N 0.00 -1.25 -1.38 1.61 5.68 -1.26 -4.61 116.55 115.35 2wrl n ASP 148 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 2wrl n ASP 148 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 2wrl n ASP 148 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wrl n SER 149 N -1.87 -0.16 -4.18 -1.12 3.41 -1.26 -4.48 113.62 103.96 2wrl n SER 149 Ca 0.00 -1.37 -0.21 0.00 -0.26 0.00 0.00 58.87 57.04 2wrl n SER 149 Cb 0.00 0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 2wrl n SER 149 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2wrl s LEU 150 N 0.00 2.21 0.00 1.04 2.34 -1.24 -5.05 118.68 117.97 2wrl s LEU 150 Ca 0.06 -0.52 0.00 0.00 0.06 0.00 0.00 54.13 53.73 2wrl s LEU 150 Cb 0.00 -0.66 0.00 0.00 -0.56 0.00 0.00 46.19 44.98 2wrl s LEU 150 CO 0.04 0.03 0.00 0.00 -1.06 0.00 0.00 176.35 175.36 2wrl n HIS 151 N 1.68 0.00 -2.88 3.48 1.44 -1.26 -2.60 115.22 115.08 2wrl n HIS 151 Ca -0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 2wrl n HIS 151 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 2wrl n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wrl n ALA 152 N -3.00 0.00 -1.60 1.59 0.00 -1.20 -2.65 120.51 113.65 2wrl n ALA 152 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2wrl n ALA 152 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2wrl n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrl n SER 153 N -3.42 6.49 -3.21 0.00 2.88 -1.26 -4.66 113.62 110.43 2wrl n SER 153 Ca 0.00 -3.77 -0.22 0.00 -1.33 0.00 0.00 58.87 53.55 2wrl n SER 153 Cb 0.00 -0.72 -0.02 0.00 -0.75 0.00 0.00 64.21 62.72 2wrl n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2wrl n ASP 154 N -0.84 3.81 -3.72 -3.46 10.43 -1.08 -4.79 116.55 116.89 2wrl n ASP 154 Ca 0.55 -2.32 -0.08 0.00 2.57 0.00 0.00 54.79 55.51 2wrl n ASP 154 Cb 0.80 -1.00 -0.02 0.00 1.84 0.00 0.00 41.12 42.74 2wrl n ASP 154 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 2wrl s LEU 155 N 0.21 0.05 -0.74 0.64 2.34 -1.26 -4.83 118.68 115.08 2wrl s LEU 155 Ca 0.36 -0.85 -0.26 0.00 0.06 0.00 0.00 54.13 53.44 2wrl s LEU 155 Cb 0.09 2.36 -0.04 0.00 -0.56 0.00 0.00 46.19 48.04 2wrl s LEU 155 CO -0.00 -1.33 1.97 -0.75 -1.06 0.00 0.00 176.35 175.18 2wrl s LYS 156 N -3.64 2.49 -0.89 1.48 2.20 -1.26 -4.93 119.74 115.18 2wrl s LYS 156 Ca 0.17 0.27 -0.20 0.00 -0.36 0.00 0.00 55.97 55.85 2wrl s LYS 156 Cb -0.04 -4.72 0.11 0.00 -1.51 0.00 0.00 37.83 31.68 2wrl s LYS 156 CO 0.09 -3.17 1.12 -0.51 -0.36 0.00 0.00 175.35 172.52 2wrl s LEU 157 N 10.13 4.83 0.86 5.43 1.43 -1.26 -4.88 118.68 135.22 2wrl s LEU 157 Ca 0.72 -1.83 -0.21 0.00 -1.03 0.00 0.00 54.13 51.78 2wrl s LEU 157 Cb -0.10 -2.41 -0.15 0.00 0.03 0.00 0.00 46.19 43.55 2wrl s LEU 157 CO 0.11 -1.16 -1.18 -2.65 0.23 0.00 0.00 176.35 171.70 2wrl n PRO 158 N 6.91 0.00 -1.24 1.29 -0.02 -1.26 -4.35 135.00 136.32 2wrl n PRO 158 Ca 0.20 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.60 2wrl n PRO 158 Cb 0.49 -0.96 -0.07 0.00 -0.02 0.00 0.00 33.50 32.94 2wrl n PRO 158 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2wrl n PRO 159 N 2.29 0.05 -0.59 0.52 -0.02 -1.26 -1.57 135.00 134.43 2wrl n PRO 159 Ca -0.02 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 2wrl n PRO 159 Cb 0.57 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2wrl n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrl n GLY 160 N 5.15 0.51 3.20 -1.23 0.00 -1.26 -4.99 105.19 106.57 2wrl n GLY 160 Ca 0.24 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2wrl n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrl s VAL 161 N -1.62 2.96 -0.37 1.61 1.01 -0.61 -4.47 120.40 118.90 2wrl s VAL 161 Ca 0.00 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.86 2wrl s VAL 161 Cb 0.00 -2.58 0.11 0.00 0.00 0.00 0.00 36.38 33.91 2wrl s VAL 161 CO 0.00 0.08 0.10 -1.83 0.00 0.00 0.00 175.10 173.45 2wrl s GLU 162 N 1.30 1.63 0.18 2.72 -1.05 -1.15 -4.83 118.70 117.49 2wrl s GLU 162 Ca -0.02 -1.97 -0.33 0.00 -0.15 0.00 0.00 54.97 52.51 2wrl s GLU 162 Cb -0.18 -3.28 -0.13 0.00 -0.44 0.00 0.00 34.13 30.10 2wrl s GLU 162 CO -0.03 -0.98 1.67 1.47 0.95 0.00 0.00 175.26 178.34 2wrl n LEU 163 N 4.16 3.60 -3.04 1.83 -0.00 -1.26 -2.20 117.00 120.09 2wrl n LEU 163 Ca 0.03 1.06 -0.37 0.00 -0.00 0.00 0.00 56.01 56.74 2wrl n LEU 163 Cb 0.41 -1.50 0.02 0.00 -0.00 0.00 0.00 43.42 42.34 2wrl n LEU 163 CO 0.25 -0.03 1.12 0.00 -0.00 0.00 0.00 177.39 178.74 2wrl n ALA 164 N 3.91 5.95 -2.32 1.47 0.00 -1.22 -4.88 120.51 123.42 2wrl n ALA 164 Ca 0.17 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.25 2wrl n ALA 164 Cb 0.32 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2wrl n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrl n VAL 165 N -0.37 0.00 0.00 0.00 0.31 -1.26 -4.86 118.33 112.15 2wrl n VAL 165 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2wrl n VAL 165 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 2wrl n VAL 165 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2wrl n SER 166 N 0.00 0.00 -4.57 4.52 7.64 -1.26 -4.96 113.62 114.99 2wrl n SER 166 Ca 0.00 0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.75 2wrl n SER 166 Cb 0.00 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 2wrl n SER 166 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wrl s PRO 167 N -0.80 3.63 0.00 1.43 0.04 -1.26 -5.00 135.00 133.04 2wrl s PRO 167 Ca 0.00 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2wrl s PRO 167 Cb 0.00 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2wrl s PRO 167 CO 0.00 -0.83 0.00 -0.85 0.04 0.00 0.00 177.00 175.36 2wrl n GLU 168 N 6.23 0.00 -0.40 4.56 -0.00 -1.26 -4.55 120.64 125.22 2wrl n GLU 168 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.00 2wrl n GLU 168 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.88 2wrl n GLU 168 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2wrl n GLU 169 N -1.35 0.00 -1.68 3.44 4.07 -1.26 -3.26 120.64 120.61 2wrl n GLU 169 Ca 0.00 0.00 -0.46 0.00 -0.06 0.00 0.00 57.16 56.64 2wrl n GLU 169 Cb 0.00 -0.45 -0.04 0.00 -0.06 0.00 0.00 31.44 30.89 2wrl n GLU 169 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2wrl n THR 170 N 2.05 0.28 -0.10 6.31 -1.04 -1.26 -3.70 114.28 116.81 2wrl n THR 170 Ca 0.18 -0.05 -0.21 0.00 -2.04 0.00 0.00 64.05 61.93 2wrl n THR 170 Cb -0.00 -1.75 -0.12 0.00 -1.82 0.00 0.00 70.33 66.64 2wrl n THR 170 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 2wrl h ILE 171 N 4.48 1.01 -4.55 12.58 -0.00 -1.76 -3.42 117.51 125.84 2wrl h ILE 171 Ca -0.47 -2.20 -0.37 0.00 -0.00 0.00 0.00 64.86 61.83 2wrl h ILE 171 Cb 1.26 2.35 -0.11 0.00 -0.00 0.00 0.00 36.82 40.31 2wrl h ILE 171 CO 0.92 0.35 -0.38 0.00 -0.00 0.00 0.00 178.15 179.03 2wrl s ALA 172 N -2.35 1.34 0.00 0.16 0.00 -1.19 -0.91 121.76 118.81 2wrl s ALA 172 Ca -0.28 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 49.88 2wrl s ALA 172 Cb 0.05 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.51 2wrl s ALA 172 CO 0.60 -0.71 0.00 0.00 0.00 0.00 0.00 175.76 175.66 2wrl n ALA 173 N -0.56 0.00 -2.49 0.00 0.00 -1.17 -3.66 120.51 112.63 2wrl n ALA 173 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 2wrl n ALA 173 Cb 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.95 2wrl n ALA 173 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wrl s VAL 174 N -2.00 3.12 0.49 0.00 1.01 -1.26 -0.74 120.40 121.02 2wrl s VAL 174 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2wrl s VAL 174 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2wrl s VAL 174 CO 0.00 0.53 0.04 0.68 0.00 0.00 0.00 175.10 176.35 2wrl s VAL 175 N -0.79 0.99 0.66 2.92 -7.23 -1.07 -4.62 120.40 111.25 2wrl s VAL 175 Ca 0.13 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.14 2wrl s VAL 175 Cb -0.11 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.65 2wrl s VAL 175 CO 0.02 0.00 1.13 -2.84 -0.31 0.00 0.00 175.10 173.10 2wrl s PRO 176 N -3.83 2.75 0.00 4.82 0.02 -1.26 -2.13 135.00 135.37 2wrl s PRO 176 Ca 0.10 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.62 2wrl s PRO 176 Cb 0.02 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2wrl s PRO 176 CO 0.06 -1.31 0.00 -2.30 -0.33 0.00 0.00 177.00 173.12 2wrl n PRO 177 N -2.30 0.00 -2.66 5.54 -0.02 -1.26 -4.54 135.00 129.75 2wrl n PRO 177 Ca 0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.54 2wrl n PRO 177 Cb 0.51 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.09 2wrl n PRO 177 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wrl n GLU 178 N 0.00 1.05 -1.50 -0.52 4.07 -1.26 -4.94 120.64 117.54 2wrl n GLU 178 Ca 0.00 -1.54 -0.43 0.00 -0.06 0.00 0.00 57.16 55.13 2wrl n GLU 178 Cb 0.00 0.03 -0.00 0.00 -0.06 0.00 0.00 31.44 31.40 2wrl n GLU 178 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2wrl n ASP 179 N -0.70 -0.11 0.08 4.31 -0.08 -1.26 -4.94 116.55 113.85 2wrl n ASP 179 Ca -0.08 1.03 -0.08 0.00 -1.51 0.00 0.00 54.79 54.15 2wrl n ASP 179 Cb 0.82 -1.16 -0.05 0.00 2.34 0.00 0.00 41.12 43.06 2wrl n ASP 179 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2wrl h VAL 180 N 1.23 0.38 -0.00 5.18 2.07 -2.07 -3.39 116.25 119.65 2wrl h VAL 180 Ca -0.39 -0.94 -0.40 0.00 0.82 0.00 0.00 66.70 65.79 2wrl h VAL 180 Cb 1.38 0.65 0.10 0.00 -1.52 0.00 0.00 31.29 31.91 2wrl h VAL 180 CO 0.55 0.10 1.09 -0.62 0.02 0.00 0.00 177.57 178.72 2wrl n GLU 181 N -4.97 0.00 -3.69 1.57 1.02 -1.26 -4.69 120.64 108.62 2wrl n GLU 181 Ca -0.06 -0.70 -0.10 0.00 -0.02 0.00 0.00 57.16 56.27 2wrl n GLU 181 Cb 0.20 -2.06 -0.10 0.00 -0.02 0.00 0.00 31.44 29.46 2wrl n GLU 181 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2wrl s LYS 182 N 5.81 0.42 -0.16 3.49 1.02 -1.26 -5.15 119.74 123.91 2wrl s LYS 182 Ca 0.48 0.80 -0.20 0.00 0.02 0.00 0.00 55.97 57.07 2wrl s LYS 182 Cb 0.10 0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.48 2wrl s LYS 182 CO 0.24 -0.15 0.54 -0.51 -0.92 0.00 0.00 175.35 174.56 2wrl s LEU 183 N 1.31 -0.09 0.00 3.17 1.43 -1.26 -5.13 118.68 118.11 2wrl s LEU 183 Ca -0.09 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2wrl s LEU 183 Cb -0.08 1.92 0.00 0.00 0.03 0.00 0.00 46.19 48.06 2wrl s LEU 183 CO -0.12 -0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.18 2wrl n ALA 184 N 2.36 1.81 -0.20 4.21 0.00 -1.26 -4.95 120.51 122.47 2wrl n ALA 184 Ca -0.15 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.43 2wrl n ALA 184 Cb 0.56 0.13 0.28 0.00 0.00 0.00 0.00 19.45 20.41 2wrl n ALA 184 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wrl n GLU 185 N -1.56 -0.04 -0.34 0.00 2.13 -1.26 -4.62 120.64 114.95 2wrl n GLU 185 Ca 0.00 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.70 2wrl n GLU 185 Cb 0.14 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.36 2wrl n GLU 185 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2wrl n GLU 186 N -4.58 0.00 0.00 5.31 4.71 -1.26 -5.40 120.64 119.42 2wrl n GLU 186 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 2wrl n GLU 186 Cb 0.64 -0.37 0.00 0.00 -1.01 0.00 0.00 31.44 30.70 2wrl n GLU 186 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22