#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s VAL 4 N 0.00 3.21 -0.09 3.15 0.11 -1.26 -4.01 120.40 121.51 2wrl s VAL 4 Ca 0.00 -1.51 -0.26 0.00 -2.93 0.00 0.00 61.98 57.28 2wrl s VAL 4 Cb 0.00 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.28 2wrl s VAL 4 CO 0.00 -0.01 0.85 0.00 -3.33 0.00 0.00 175.10 172.61 2wrl n GLU 6 N 4.49 0.10 0.00 0.00 1.02 -1.11 -0.72 120.64 124.42 2wrl n GLU 6 Ca 0.04 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2wrl n GLU 6 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2wrl n GLU 6 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wrl n ILE 7 N -1.25 0.00 0.26 -3.67 -0.00 -1.26 -4.76 119.36 108.69 2wrl n ILE 7 Ca 0.03 0.00 0.18 0.00 -0.00 0.00 0.00 62.75 62.96 2wrl n ILE 7 Cb 0.05 -0.72 0.94 0.00 -0.00 0.00 0.00 39.64 39.90 2wrl n ILE 7 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2wrl h SER 8 N 0.00 0.00 0.00 4.38 4.64 -1.96 -3.45 113.55 117.16 2wrl h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wrl h SER 8 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wrl h SER 8 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2wrl n GLY 9 N -1.14 1.67 3.49 -0.77 0.00 0.10 -4.95 105.19 103.58 2wrl n GLY 9 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2wrl n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrl n LYS 10 N -2.00 0.71 -4.34 1.61 5.02 -1.26 -4.23 118.16 113.67 2wrl n LYS 10 Ca 0.00 0.26 -0.20 0.00 -2.02 0.00 0.00 58.31 56.34 2wrl n LYS 10 Cb 0.00 -1.62 -0.08 0.00 -0.02 0.00 0.00 35.03 33.30 2wrl n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wrl s ARG 11 N -1.71 1.76 0.11 1.97 1.70 -1.26 0.98 118.95 122.50 2wrl s ARG 11 Ca 0.64 -2.03 -0.30 0.00 -0.47 0.00 0.00 55.73 53.57 2wrl s ARG 11 Cb -0.58 0.09 -0.06 0.00 -0.57 0.00 0.00 34.95 33.82 2wrl s ARG 11 CO 0.57 -0.59 0.99 -1.25 -1.08 0.00 0.00 175.30 173.95 2wrl s PRO 12 N -3.57 4.66 0.20 3.89 0.04 -1.26 -4.60 135.00 134.37 2wrl s PRO 12 Ca 0.36 1.51 0.05 0.00 0.04 0.00 0.00 61.00 62.96 2wrl s PRO 12 Cb 0.03 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2wrl s PRO 12 CO 0.23 0.16 0.20 0.96 0.04 0.00 0.00 177.00 178.59 2wrl s ILE 13 N 0.05 4.67 0.34 0.56 -4.36 -0.56 -4.91 121.20 117.00 2wrl s ILE 13 Ca 0.48 -1.13 -0.25 0.00 -0.26 0.00 0.00 60.65 59.49 2wrl s ILE 13 Cb -0.24 -3.45 -0.10 0.00 1.25 0.00 0.00 42.46 39.91 2wrl s ILE 13 CO 0.31 -0.22 0.94 -0.69 0.24 0.00 0.00 174.94 175.52 2wrl s VAL 14 N -1.91 4.26 0.33 8.37 1.01 -1.26 -1.19 120.40 130.00 2wrl s VAL 14 Ca 0.32 1.74 -0.03 0.00 0.00 0.00 0.00 61.98 64.02 2wrl s VAL 14 Cb -0.09 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 2wrl s VAL 14 CO 0.25 0.05 0.45 0.00 0.00 0.00 0.00 175.10 175.85 2wrl s ALA 15 N -1.73 0.77 -0.04 5.51 0.00 -0.43 -4.87 121.76 120.97 2wrl s ALA 15 Ca 0.52 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2wrl s ALA 15 Cb -0.17 1.17 0.01 0.00 0.00 0.00 0.00 23.12 24.14 2wrl s ALA 15 CO 0.21 -0.78 -0.07 -0.80 0.00 0.00 0.00 175.76 174.32 2wrl s ASN 16 N -3.23 1.09 -0.51 0.00 0.01 -1.26 -1.37 114.94 109.67 2wrl s ASN 16 Ca 0.31 -0.16 -0.24 0.00 -0.71 0.00 0.00 52.86 52.05 2wrl s ASN 16 Cb 0.00 -0.41 0.04 0.00 0.41 0.00 0.00 41.25 41.28 2wrl s ASN 16 CO 0.20 0.01 0.90 -0.55 -1.51 0.00 0.00 177.10 176.14 2wrl s SER 17 N 0.53 6.38 -0.15 -1.22 0.15 0.18 -4.88 113.70 114.69 2wrl s SER 17 Ca -0.08 -0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.22 2wrl s SER 17 Cb -0.12 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 2wrl s SER 17 CO 0.01 -1.12 0.24 -0.63 1.20 0.00 0.00 173.24 172.94 2wrl s ILE 18 N 3.73 5.33 -0.45 6.45 1.09 -1.26 -1.54 121.20 134.55 2wrl s ILE 18 Ca 0.31 0.45 0.03 0.00 -1.10 0.00 0.00 60.65 60.34 2wrl s ILE 18 Cb -0.12 -3.57 0.12 0.00 -1.06 0.00 0.00 42.46 37.83 2wrl s ILE 18 CO 0.21 0.44 0.21 -1.10 -0.10 0.00 0.00 174.94 174.60 2wrl s GLN 19 N 0.16 1.64 0.60 2.79 -1.52 -0.33 -5.02 119.66 117.97 2wrl s GLN 19 Ca 0.15 -2.24 0.03 0.00 -1.95 0.00 0.00 55.36 51.35 2wrl s GLN 19 Cb -0.13 -2.98 0.07 0.00 -0.22 0.00 0.00 33.01 29.76 2wrl s GLN 19 CO 0.03 -1.08 0.83 1.03 -0.25 0.00 0.00 175.29 175.85 2wrl s ARG 20 N 0.20 2.22 0.00 2.91 0.52 -1.26 -0.42 118.95 123.12 2wrl s ARG 20 Ca 0.16 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 2wrl s ARG 20 Cb -0.24 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.73 2wrl s ARG 20 CO -0.03 -0.95 0.00 0.54 0.02 0.00 0.00 175.30 174.88 2wrl n ARG 21 N -2.43 0.00 0.00 3.54 1.74 -0.94 -4.84 116.66 113.73 2wrl n ARG 21 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2wrl n ARG 21 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 2wrl n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 22 N 0.00 -0.05 3.13 -0.13 0.00 -1.26 -4.16 105.19 102.72 2wrl n GLY 22 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2wrl n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrl s LYS 23 N 0.00 2.50 0.25 1.61 2.20 -1.26 -4.80 119.74 120.24 2wrl s LYS 23 Ca 0.00 -1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 54.25 2wrl s LYS 23 Cb 0.00 -2.95 -0.12 0.00 -1.51 0.00 0.00 37.83 33.26 2wrl s LYS 23 CO 0.00 -0.51 0.16 0.00 -0.36 0.00 0.00 175.35 174.65 2wrl n ALA 24 N 4.55 -2.49 0.04 3.13 0.00 -1.26 -3.01 120.51 121.46 2wrl n ALA 24 Ca -0.15 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2wrl n ALA 24 Cb 0.44 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 2wrl n ALA 24 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wrl h LYS 25 N 0.39 -0.09 -1.58 0.00 1.57 -1.91 -3.02 116.57 111.93 2wrl h LYS 25 Ca -0.25 0.01 0.47 0.00 -1.87 0.00 0.00 60.65 59.01 2wrl h LYS 25 Cb 1.05 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.30 2wrl h LYS 25 CO 0.37 0.25 1.11 0.07 -0.57 0.00 0.00 179.45 180.67 2wrl h ARG 26 N -0.44 0.04 -6.00 3.15 0.11 -1.92 -3.37 114.38 105.94 2wrl h ARG 26 Ca -0.01 -0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.51 2wrl h ARG 26 Cb 0.38 -0.01 -0.08 0.00 1.11 0.00 0.00 29.97 31.37 2wrl h ARG 26 CO 0.02 0.02 -0.52 -1.21 0.10 0.00 0.00 179.97 178.38 2wrl s GLU 27 N -5.02 2.29 0.00 0.08 2.02 -1.14 -5.01 118.70 111.92 2wrl s GLU 27 Ca -0.06 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.23 2wrl s GLU 27 Cb 0.27 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.42 2wrl s GLU 27 CO 0.85 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.53 2wrl n GLY 28 N -1.20 1.23 0.00 -1.39 0.00 -1.26 -4.64 105.19 97.93 2wrl n GLY 28 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2wrl n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLY 29 N 0.00 3.20 5.00 -0.02 0.00 -1.25 -4.91 105.19 107.21 2wrl n GLY 29 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2wrl n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wrl n VAL 30 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.11 118.33 114.81 2wrl n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wrl n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wrl n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrl n GLY 31 N 0.00 3.32 3.76 7.63 0.00 -1.16 -4.93 105.19 113.81 2wrl n GLY 31 Ca 0.00 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 2wrl n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s LYS 32 N -4.34 1.96 -0.04 1.61 1.02 -1.26 -4.19 119.74 114.50 2wrl s LYS 32 Ca 0.00 0.95 -0.02 0.00 0.02 0.00 0.00 55.97 56.93 2wrl s LYS 32 Cb 0.00 -1.88 0.03 0.00 -0.52 0.00 0.00 37.83 35.47 2wrl s LYS 32 CO 0.00 -1.79 0.08 0.15 -0.92 0.00 0.00 175.35 172.87 2wrl s LYS 33 N -4.96 -0.01 -0.05 1.68 1.02 -1.26 -4.89 119.74 111.26 2wrl s LYS 33 Ca 0.62 0.34 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 2wrl s LYS 33 Cb -0.17 -0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 36.77 2wrl s LYS 33 CO 0.56 -0.24 1.76 0.99 -0.92 0.00 0.00 175.35 177.51 2wrl s THR 34 N 1.59 3.41 -0.35 2.17 2.01 -1.26 -2.22 115.64 120.99 2wrl s THR 34 Ca -0.03 0.49 0.06 0.00 0.31 0.00 0.00 61.69 62.51 2wrl s THR 34 Cb -0.12 -3.33 0.46 0.00 0.01 0.00 0.00 72.50 69.52 2wrl s THR 34 CO -0.04 -0.06 1.39 1.07 -0.69 0.00 0.00 174.62 176.28 2wrl n THR 35 N 5.68 2.72 0.00 -0.82 5.66 0.44 -4.96 114.28 122.99 2wrl n THR 35 Ca 0.19 -3.71 0.00 0.00 -3.05 0.00 0.00 64.05 57.47 2wrl n THR 35 Cb 0.43 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 2wrl n THR 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wrl n GLY 36 N -0.84 3.44 3.18 1.09 0.00 -1.24 -4.86 105.19 105.96 2wrl n GLY 36 Ca 0.44 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2wrl n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrl s ILE 37 N 0.00 1.94 0.02 -0.61 1.01 -1.26 -1.19 121.20 121.12 2wrl s ILE 37 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.74 2wrl s ILE 37 Cb 0.00 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 2wrl s ILE 37 CO 0.00 0.53 -0.08 -0.94 0.00 0.00 0.00 174.94 174.45 2wrl s SER 38 N 0.53 0.91 -0.04 3.58 1.04 -0.59 -4.92 113.70 114.21 2wrl s SER 38 Ca -0.15 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 55.68 2wrl s SER 38 Cb -0.17 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 2wrl s SER 38 CO 0.05 -0.02 1.41 -0.75 0.98 0.00 0.00 173.24 174.92 2wrl s LYS 39 N -0.74 4.26 0.35 4.02 2.47 -1.26 0.51 119.74 129.34 2wrl s LYS 39 Ca -0.02 1.94 0.03 0.00 -1.56 0.00 0.00 55.97 56.37 2wrl s LYS 39 Cb -0.06 -3.68 -0.04 0.00 -1.46 0.00 0.00 37.83 32.60 2wrl s LYS 39 CO 0.00 -0.64 0.13 -0.98 0.16 0.00 0.00 175.35 174.02 2wrl s ARG 40 N 2.87 1.74 0.06 4.03 1.70 -0.47 -4.89 118.95 123.98 2wrl s ARG 40 Ca 0.64 -2.02 0.07 0.00 -0.47 0.00 0.00 55.73 53.94 2wrl s ARG 40 Cb -0.30 -0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 33.60 2wrl s ARG 40 CO 0.25 -0.41 -0.18 1.03 -1.08 0.00 0.00 175.30 174.90 2wrl s ARG 41 N -3.79 1.14 -0.19 3.89 0.52 -1.26 -1.32 118.95 117.94 2wrl s ARG 41 Ca 0.31 -0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2wrl s ARG 41 Cb 0.05 -1.25 0.00 0.00 0.52 0.00 0.00 34.95 34.27 2wrl s ARG 41 CO 0.16 0.31 -0.12 -0.65 0.02 0.00 0.00 175.30 175.02 2wrl s GLN 42 N -1.37 3.23 0.01 3.54 -0.21 -0.34 -4.93 119.66 119.59 2wrl s GLN 42 Ca 0.05 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.72 2wrl s GLN 42 Cb -0.09 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2wrl s GLN 42 CO 0.02 -0.13 0.07 0.71 -2.12 0.00 0.00 175.29 173.84 2wrl s TYR 43 N 1.21 3.23 0.56 0.91 1.51 -1.26 -1.49 117.35 122.02 2wrl s TYR 43 Ca 0.02 0.16 -0.09 0.00 -1.01 0.00 0.00 57.07 56.15 2wrl s TYR 43 Cb -0.14 -1.71 0.14 0.00 -0.11 0.00 0.00 41.96 40.14 2wrl s TYR 43 CO -0.05 0.53 0.50 -0.35 -1.11 0.00 0.00 175.55 175.07 2wrl n PRO 44 N 1.09 -1.99 -3.23 -1.71 -0.04 -1.26 -4.96 135.00 122.89 2wrl n PRO 44 Ca -0.12 -0.80 -0.38 0.00 -0.04 0.00 0.00 63.50 62.16 2wrl n PRO 44 Cb 0.52 -0.75 -0.02 0.00 -0.04 0.00 0.00 33.50 33.21 2wrl n PRO 44 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2wrl n ASN 45 N -3.86 5.35 -4.77 3.54 4.05 -1.26 -5.03 115.26 113.28 2wrl n ASN 45 Ca 0.07 -3.35 -0.38 0.00 0.45 0.00 0.00 54.58 51.37 2wrl n ASN 45 Cb 0.27 -1.09 -0.02 0.00 1.23 0.00 0.00 39.78 40.16 2wrl n ASN 45 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2wrl s LEU 46 N -2.39 4.21 -0.10 1.20 2.01 -1.26 -2.43 118.68 119.92 2wrl s LEU 46 Ca 0.33 2.36 -0.11 0.00 0.01 0.00 0.00 54.13 56.71 2wrl s LEU 46 Cb 0.04 -4.00 0.03 0.00 0.01 0.00 0.00 46.19 42.27 2wrl s LEU 46 CO 0.03 -0.66 0.30 -1.10 1.01 0.00 0.00 176.35 175.92 2wrl s GLN 47 N -2.27 0.41 -0.12 1.70 -1.52 -0.54 -4.96 119.66 112.35 2wrl s GLN 47 Ca 0.57 0.30 -0.23 0.00 -1.95 0.00 0.00 55.36 54.05 2wrl s GLN 47 Cb -0.31 0.19 -0.03 0.00 -0.22 0.00 0.00 33.01 32.65 2wrl s GLN 47 CO 0.39 -0.07 0.71 0.15 -0.25 0.00 0.00 175.29 176.23 2wrl s LYS 48 N -0.12 4.35 -0.20 2.91 1.02 -1.26 -1.35 119.74 125.09 2wrl s LYS 48 Ca -0.03 0.85 -0.04 0.00 0.02 0.00 0.00 55.97 56.77 2wrl s LYS 48 Cb -0.03 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2wrl s LYS 48 CO 0.01 -0.11 -0.02 0.08 -0.92 0.00 0.00 175.35 174.39 2wrl s VAL 49 N 1.41 3.77 -0.35 3.17 1.01 -0.58 -4.93 120.40 123.90 2wrl s VAL 49 Ca 0.35 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 2wrl s VAL 49 Cb -0.17 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2wrl s VAL 49 CO 0.15 0.44 0.30 -0.13 0.00 0.00 0.00 175.10 175.86 2wrl s ARG 50 N 1.00 3.50 0.13 2.72 0.52 -1.26 -1.09 118.95 124.47 2wrl s ARG 50 Ca 0.01 -0.55 0.06 0.00 -0.52 0.00 0.00 55.73 54.72 2wrl s ARG 50 Cb -0.14 -3.82 -0.04 0.00 0.52 0.00 0.00 34.95 31.47 2wrl s ARG 50 CO 0.01 -0.50 -0.13 0.54 0.02 0.00 0.00 175.30 175.24 2wrl s VAL 51 N 1.87 1.32 0.00 3.52 0.11 -0.21 -5.00 120.40 122.01 2wrl s VAL 51 Ca 0.09 -1.84 0.00 0.00 -2.93 0.00 0.00 61.98 57.30 2wrl s VAL 51 Cb -0.17 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2wrl s VAL 51 CO 0.11 -0.51 0.28 0.54 -3.33 0.00 0.00 175.10 172.19 2wrl n ARG 52 N 0.29 0.00 -1.62 1.54 5.12 -1.26 -1.53 116.66 119.20 2wrl n ARG 52 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 2wrl n ARG 52 Cb 0.58 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 31.10 2wrl n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wrl n VAL 53 N -0.49 -3.53 0.00 1.55 0.31 -1.26 -4.07 118.33 110.84 2wrl n VAL 53 Ca 0.00 1.63 0.00 0.00 -0.01 0.00 0.00 64.34 65.96 2wrl n VAL 53 Cb 0.00 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 2wrl n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrl n ALA 54 N -0.14 0.00 -0.02 3.52 0.00 -1.26 -3.37 120.51 119.23 2wrl n ALA 54 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2wrl n ALA 54 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wrl n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 55 N 0.00 -0.18 3.90 0.00 0.00 -1.26 -5.05 105.19 102.60 2wrl n GLY 55 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2wrl n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wrl s GLN 56 N -2.11 3.63 0.70 1.61 -0.21 -1.22 -5.08 119.66 116.98 2wrl s GLN 56 Ca -0.04 0.15 -0.11 0.00 0.02 0.00 0.00 55.36 55.38 2wrl s GLN 56 Cb 0.02 -2.51 0.01 0.00 1.00 0.00 0.00 33.01 31.53 2wrl s GLN 56 CO 0.17 0.03 1.06 -2.00 -2.12 0.00 0.00 175.29 172.43 2wrl s GLU 57 N -4.03 2.93 -0.27 2.91 2.12 -1.26 -4.40 118.70 116.71 2wrl s GLU 57 Ca 0.46 0.85 -0.25 0.00 0.36 0.00 0.00 54.97 56.39 2wrl s GLU 57 Cb -0.10 -2.00 0.07 0.00 0.26 0.00 0.00 34.13 32.36 2wrl s GLU 57 CO 0.35 -1.07 0.73 -1.50 -0.54 0.00 0.00 175.26 173.22 2wrl s ILE 58 N -3.10 0.00 0.13 -3.70 2.07 -0.58 -4.95 121.20 111.07 2wrl s ILE 58 Ca 0.58 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.92 2wrl s ILE 58 Cb -0.13 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 2wrl s ILE 58 CO 0.55 0.00 -0.24 0.42 -1.91 0.00 0.00 174.94 173.76 2wrl s THR 59 N 0.39 2.06 -0.08 4.00 -4.23 -1.26 -1.04 115.64 115.48 2wrl s THR 59 Ca -0.00 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 2wrl s THR 59 Cb -0.05 -1.86 0.03 0.00 1.34 0.00 0.00 72.50 71.96 2wrl s THR 59 CO 0.01 -0.02 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.68 2wrl s PHE 60 N -1.25 0.93 -0.81 3.99 0.08 -0.25 -4.92 117.98 115.75 2wrl s PHE 60 Ca 0.12 -0.35 -0.26 0.00 0.12 0.00 0.00 56.93 56.57 2wrl s PHE 60 Cb -0.09 -0.94 0.02 0.00 -0.57 0.00 0.00 43.02 41.44 2wrl s PHE 60 CO 0.06 -0.38 1.48 1.03 -0.10 0.00 0.00 175.22 177.30 2wrl s ARG 61 N 1.85 3.16 0.20 0.44 0.52 -1.26 -1.53 118.95 122.33 2wrl s ARG 61 Ca 0.04 -0.36 0.11 0.00 -0.52 0.00 0.00 55.73 55.01 2wrl s ARG 61 Cb -0.12 -4.62 -0.04 0.00 0.52 0.00 0.00 34.95 30.68 2wrl s ARG 61 CO -0.06 -2.37 -0.23 0.54 0.02 0.00 0.00 175.30 173.21 2wrl s VAL 62 N 6.43 2.31 0.94 3.52 0.11 -0.45 -2.77 120.40 130.48 2wrl s VAL 62 Ca 0.46 -2.06 -0.16 0.00 -2.93 0.00 0.00 61.98 57.29 2wrl s VAL 62 Cb -0.06 -2.11 0.24 0.00 -1.53 0.00 0.00 36.38 32.91 2wrl s VAL 62 CO 0.07 -0.17 0.55 0.00 -3.33 0.00 0.00 175.10 172.22 2wrl n ALA 63 N 0.17 -3.34 0.14 1.54 0.00 -1.26 -1.47 120.51 116.29 2wrl n ALA 63 Ca -0.12 -0.97 0.09 0.00 0.00 0.00 0.00 53.44 52.44 2wrl n ALA 63 Cb 0.57 -0.09 0.05 0.00 0.00 0.00 0.00 19.45 19.97 2wrl n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl h ALA 64 N -3.05 0.70 0.12 0.00 0.00 -1.86 -3.15 119.26 112.02 2wrl h ALA 64 Ca -0.25 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.17 2wrl h ALA 64 Cb 0.84 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2wrl h ALA 64 CO 0.15 0.18 -1.79 0.66 0.00 0.00 0.00 179.25 178.46 2wrl h SER 65 N 0.00 0.40 -0.28 0.00 4.64 -1.91 -3.36 113.55 113.04 2wrl h SER 65 Ca -0.02 -0.89 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 2wrl h SER 65 Cb 1.12 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2wrl h SER 65 CO 0.01 1.77 0.00 1.41 -0.87 0.00 0.00 176.83 179.16 2wrl n HIS 66 N -3.68 0.38 -0.05 4.77 -0.00 -1.26 -3.98 115.22 111.41 2wrl n HIS 66 Ca -0.30 -0.19 -0.08 0.00 -0.00 0.00 0.00 57.72 57.15 2wrl n HIS 66 Cb 0.99 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.95 2wrl n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2wrl h ILE 67 N 1.62 0.38 0.23 1.59 2.04 -1.69 -2.62 117.51 119.06 2wrl h ILE 67 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2wrl h ILE 67 Cb 0.38 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2wrl h ILE 67 CO 0.00 0.00 -0.26 1.55 0.00 0.00 0.00 178.15 179.45 2wrl h PRO 68 N -0.26 -0.51 -0.34 2.37 0.13 -1.87 -2.06 132.00 129.45 2wrl h PRO 68 Ca 0.13 0.03 0.10 0.00 -0.87 0.00 0.00 66.00 65.40 2wrl h PRO 68 Cb 0.47 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2wrl h PRO 68 CO -0.39 -0.34 0.78 -0.22 -0.23 0.00 0.00 178.00 177.60 2wrl h LYS 69 N -0.53 0.00 0.34 0.86 1.63 -1.72 0.47 116.57 117.62 2wrl h LYS 69 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2wrl h LYS 69 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2wrl h LYS 69 CO -0.07 0.00 -0.17 0.28 -3.45 0.00 0.00 179.45 176.04 2wrl h VAL 70 N 0.00 0.49 -0.71 2.00 2.07 -1.05 -2.69 116.25 116.37 2wrl h VAL 70 Ca 0.16 -0.71 0.20 0.00 0.82 0.00 0.00 66.70 67.18 2wrl h VAL 70 Cb 1.72 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2wrl h VAL 70 CO -0.00 0.10 0.51 1.88 0.02 0.00 0.00 177.57 180.08 2wrl h TYR 71 N -0.94 0.02 0.41 1.57 -1.99 -0.15 -1.25 116.97 114.65 2wrl h TYR 71 Ca -0.05 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 2wrl h TYR 71 Cb 0.52 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.25 2wrl h TYR 71 CO 0.03 0.01 -0.20 1.49 -0.00 0.00 0.00 178.16 179.49 2wrl h GLU 72 N 0.02 -0.54 0.00 4.88 4.81 -1.35 -2.86 114.58 119.55 2wrl h GLU 72 Ca 0.34 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2wrl h GLU 72 Cb 1.32 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.82 2wrl h GLU 72 CO -0.01 -0.23 0.00 -0.11 -0.73 0.00 0.00 179.01 177.93 2wrl n LEU 73 N -5.22 0.00 -0.00 1.64 0.00 -0.48 0.69 117.00 113.63 2wrl n LEU 73 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 56.01 55.96 2wrl n LEU 73 Cb 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.58 2wrl n LEU 73 CO 0.31 0.00 -0.65 0.52 0.00 0.00 0.00 177.39 177.57 2wrl n VAL 74 N -0.86 0.58 0.04 1.96 0.31 -1.08 -3.69 118.33 115.60 2wrl n VAL 74 Ca 0.00 -0.61 -0.20 0.00 -0.01 0.00 0.00 64.34 63.52 2wrl n VAL 74 Cb 0.00 -0.27 -0.12 0.00 -0.91 0.00 0.00 33.84 32.54 2wrl n VAL 74 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wrl h GLU 75 N 0.00 0.56 -0.36 5.55 4.57 0.20 -2.92 114.58 122.17 2wrl h GLU 75 Ca -0.14 -0.66 0.04 0.00 -1.18 0.00 0.00 59.36 57.42 2wrl h GLU 75 Cb 1.36 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 30.11 2wrl h GLU 75 CO 0.01 1.27 0.13 0.00 -1.18 0.00 0.00 179.01 179.24 2wrl h ARG 76 N 0.14 0.28 0.00 1.92 3.08 -1.68 -2.42 114.38 115.69 2wrl h ARG 76 Ca -0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2wrl h ARG 76 Cb 1.64 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.62 2wrl h ARG 76 CO 0.18 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 2wrl n ALA 77 N -2.33 1.63 -0.09 0.04 0.00 -1.22 -3.55 120.51 114.99 2wrl n ALA 77 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 2wrl n ALA 77 Cb 0.12 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 2wrl n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wrl h LYS 78 N 0.00 -0.03 -4.17 0.00 1.57 -1.23 -3.26 116.57 109.45 2wrl h LYS 78 Ca 0.00 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.02 2wrl h LYS 78 Cb 0.25 0.01 -0.21 0.00 0.08 0.00 0.00 32.23 32.35 2wrl h LYS 78 CO 0.00 -0.02 1.16 0.41 -0.57 0.00 0.00 179.45 180.43 2wrl n GLY 79 N -1.29 3.88 3.80 3.86 0.00 -1.23 -4.95 105.19 109.26 2wrl n GLY 79 Ca 0.01 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.73 2wrl n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wrl s LEU 80 N 0.32 -0.23 -1.28 0.99 0.20 -1.23 -5.10 118.68 112.34 2wrl s LEU 80 Ca 0.39 -0.58 -0.14 0.00 0.69 0.00 0.00 54.13 54.48 2wrl s LEU 80 Cb -0.03 2.64 0.12 0.00 -0.43 0.00 0.00 46.19 48.49 2wrl s LEU 80 CO -0.01 -1.30 1.72 0.29 -0.29 0.00 0.00 176.35 176.75 2wrl n LYS 81 N -0.45 3.30 -4.76 1.98 4.76 -1.26 -5.00 118.16 116.74 2wrl n LYS 81 Ca -0.05 -3.45 -0.33 0.00 -2.87 0.00 0.00 58.31 51.60 2wrl n LYS 81 Cb 0.60 -3.19 -0.12 0.00 -1.84 0.00 0.00 35.03 30.47 2wrl n LYS 81 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wrl s LEU 82 N 2.11 2.92 0.00 -0.35 1.02 -1.26 -5.06 118.68 118.06 2wrl s LEU 82 Ca 0.46 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.47 2wrl s LEU 82 Cb 0.04 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.63 2wrl s LEU 82 CO 0.01 0.32 0.00 -1.84 0.02 0.00 0.00 176.35 174.87 2wrl n GLU 83 N 2.47 0.00 -2.80 1.70 -0.00 -1.26 -4.92 120.64 115.83 2wrl n GLU 83 Ca -0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 56.95 2wrl n GLU 83 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.94 2wrl n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wrl n GLY 84 N 0.00 -3.03 0.68 -1.84 0.00 -1.26 -4.04 105.19 95.70 2wrl n GLY 84 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.07 2wrl n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrl n LEU 85 N 2.08 0.00 -2.55 0.99 4.77 -1.26 -4.81 117.00 116.23 2wrl n LEU 85 Ca -0.25 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.48 2wrl n LEU 85 Cb 0.38 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2wrl n LEU 85 CO 0.23 0.00 0.16 -1.20 -1.33 0.00 0.00 177.39 175.25 2wrl n SER 86 N 0.23 4.44 0.20 -1.43 7.64 -1.26 -4.91 113.62 118.55 2wrl n SER 86 Ca 0.00 -3.65 -0.09 0.00 1.01 0.00 0.00 58.87 56.14 2wrl n SER 86 Cb 0.00 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 2wrl n SER 86 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wrl h PRO 87 N 2.65 -0.56 0.00 1.43 0.13 -1.93 0.24 132.00 133.97 2wrl h PRO 87 Ca 0.25 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 2wrl h PRO 87 Cb 0.89 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2wrl h PRO 87 CO 0.82 -0.37 0.00 -0.22 -0.23 0.00 0.00 178.00 178.00 2wrl h LYS 88 N -0.58 0.00 0.02 0.86 3.64 -1.95 -3.14 116.57 115.42 2wrl h LYS 88 Ca -0.05 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2wrl h LYS 88 Cb 0.47 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2wrl h LYS 88 CO 0.04 0.00 -0.39 0.93 -2.27 0.00 0.00 179.45 177.76 2wrl h GLU 89 N 0.00 0.23 -0.97 1.90 5.08 -1.89 -2.15 114.58 116.78 2wrl h GLU 89 Ca 0.00 -0.28 0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2wrl h GLU 89 Cb 0.75 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.01 2wrl h GLU 89 CO 0.00 1.02 0.62 0.82 -1.00 0.00 0.00 179.01 180.47 2wrl h ILE 90 N -0.44 0.94 0.27 3.13 1.08 -0.55 0.31 117.51 122.27 2wrl h ILE 90 Ca -0.05 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 2wrl h ILE 90 Cb 1.17 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2wrl h ILE 90 CO 0.08 0.18 -0.22 0.50 -0.69 0.00 0.00 178.15 177.99 2wrl h LYS 91 N 0.97 -0.49 -0.66 2.37 3.64 -1.50 0.14 116.57 121.05 2wrl h LYS 91 Ca 0.47 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.91 2wrl h LYS 91 Cb 0.45 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2wrl h LYS 91 CO -0.23 -0.33 0.41 -0.22 -2.27 0.00 0.00 179.45 176.81 2wrl h LYS 92 N -0.51 0.77 -0.84 1.90 1.63 -0.63 -2.38 116.57 116.51 2wrl h LYS 92 Ca -0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2wrl h LYS 92 Cb 0.46 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.87 2wrl h LYS 92 CO -0.02 0.51 0.54 0.93 -3.45 0.00 0.00 179.45 177.96 2wrl h GLU 93 N 0.79 1.12 -4.31 1.90 4.39 -0.62 -3.24 114.58 114.61 2wrl h GLU 93 Ca 0.27 -0.08 -0.32 0.00 0.34 0.00 0.00 59.36 59.57 2wrl h GLU 93 Cb 0.03 -0.25 0.06 0.00 -0.10 0.00 0.00 28.75 28.50 2wrl h GLU 93 CO -0.11 0.76 1.48 1.28 -1.16 0.00 0.00 179.01 181.26 2wrl n LEU 94 N -4.47 1.44 0.00 1.33 4.77 0.47 -4.51 117.00 116.02 2wrl n LEU 94 Ca 0.09 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 2wrl n LEU 94 Cb 0.03 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2wrl n LEU 94 CO 0.37 -1.15 0.00 -0.11 -1.33 0.00 0.00 177.39 175.16 2wrl n LEU 95 N 6.50 0.00 0.00 2.23 7.94 -1.24 -4.98 117.00 127.46 2wrl n LEU 95 Ca 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 2wrl n LEU 95 Cb 0.20 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.15 2wrl n LEU 95 CO 0.82 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 178.27