#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s ILE 2 N 0.00 3.70 0.04 2.02 -1.09 -0.68 -4.88 121.20 120.31 2wrl s ILE 2 Ca 0.00 -0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 57.81 2wrl s ILE 2 Cb 0.00 -2.51 0.02 0.00 -1.58 0.00 0.00 42.46 38.38 2wrl s ILE 2 CO 0.00 0.60 0.27 0.00 -1.23 0.00 0.00 174.94 174.58 2wrl s GLN 3 N -0.80 0.77 -0.24 2.79 -2.07 -1.26 -0.46 119.66 118.39 2wrl s GLN 3 Ca 0.12 -0.54 -0.41 0.00 -1.82 0.00 0.00 55.36 52.72 2wrl s GLN 3 Cb -0.11 0.33 -0.17 0.00 -1.09 0.00 0.00 33.01 31.97 2wrl s GLN 3 CO 0.01 -0.24 1.56 -0.35 -1.32 0.00 0.00 175.29 174.96 2wrl n PRO 4 N 0.62 0.74 0.00 9.60 -0.04 -1.26 -1.01 135.00 143.66 2wrl n PRO 4 Ca -0.19 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2wrl n PRO 4 Cb 0.59 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2wrl n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wrl n GLN 5 N 4.10 0.00 -2.63 0.54 -0.06 -0.74 -4.96 117.38 113.63 2wrl n GLN 5 Ca 0.25 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.85 2wrl n GLN 5 Cb 0.09 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.22 2wrl n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2wrl s THR 6 N -2.10 3.90 0.04 1.69 2.01 -0.18 -4.72 115.64 116.28 2wrl s THR 6 Ca 0.00 1.84 -0.15 0.00 0.31 0.00 0.00 61.69 63.69 2wrl s THR 6 Cb 0.00 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 2wrl s THR 6 CO 0.00 0.41 0.45 -0.31 -0.69 0.00 0.00 174.62 174.48 2wrl s TYR 7 N -0.93 3.71 0.00 4.92 1.51 -1.26 0.42 117.35 125.73 2wrl s TYR 7 Ca 0.44 1.03 0.08 0.00 -1.01 0.00 0.00 57.07 57.60 2wrl s TYR 7 Cb -0.28 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.23 2wrl s TYR 7 CO 0.35 0.60 -0.25 -0.51 -1.11 0.00 0.00 175.55 174.63 2wrl s LEU 8 N -1.29 2.09 0.02 -1.29 2.01 0.20 -4.84 118.68 115.59 2wrl s LEU 8 Ca 0.27 -0.50 -0.30 0.00 0.01 0.00 0.00 54.13 53.62 2wrl s LEU 8 Cb -0.17 -1.26 -0.04 0.00 0.01 0.00 0.00 46.19 44.74 2wrl s LEU 8 CO 0.16 0.28 1.00 -0.70 1.01 0.00 0.00 176.35 178.10 2wrl s GLU 9 N -0.82 4.56 -0.17 1.70 2.56 0.23 -2.36 118.70 124.42 2wrl s GLU 9 Ca 0.10 1.47 -0.19 0.00 0.00 0.00 0.00 54.97 56.35 2wrl s GLU 9 Cb -0.10 -3.43 -0.04 0.00 2.00 0.00 0.00 34.13 32.57 2wrl s GLU 9 CO 0.00 -0.04 0.52 0.14 -0.56 0.00 0.00 175.26 175.33 2wrl s VAL 10 N 0.86 5.13 -0.86 3.70 -7.23 -1.26 -1.62 120.40 119.11 2wrl s VAL 10 Ca 0.52 0.99 0.01 0.00 -1.81 0.00 0.00 61.98 61.69 2wrl s VAL 10 Cb -0.22 -3.85 0.29 0.00 0.56 0.00 0.00 36.38 33.15 2wrl s VAL 10 CO 0.29 0.23 1.16 0.00 -0.31 0.00 0.00 175.10 176.46 2wrl n ALA 11 N 4.38 4.73 -3.63 1.32 0.00 -0.11 -4.89 120.51 122.31 2wrl n ALA 11 Ca -0.05 -4.78 -0.03 0.00 0.00 0.00 0.00 53.44 48.57 2wrl n ALA 11 Cb 0.51 -1.63 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 2wrl n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2wrl s ASP 12 N -2.17 -0.09 0.00 0.00 3.84 -1.26 -2.54 116.67 114.45 2wrl s ASP 12 Ca 0.36 0.09 0.00 0.00 -0.00 0.00 0.00 52.55 53.00 2wrl s ASP 12 Cb 0.11 0.08 0.00 0.00 -1.38 0.00 0.00 42.92 41.73 2wrl s ASP 12 CO 0.03 -0.09 0.53 -0.46 -0.00 0.00 0.00 175.17 175.18 2wrl n ASN 13 N 0.49 1.49 0.23 2.11 0.23 -1.25 -4.11 115.26 114.45 2wrl n ASN 13 Ca -0.01 -1.25 0.13 0.00 -0.53 0.00 0.00 54.58 52.92 2wrl n ASN 13 Cb 0.59 -0.31 0.69 0.00 -2.08 0.00 0.00 39.78 38.67 2wrl n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2wrl h THR 14 N 0.26 0.00 0.00 5.53 2.02 -1.88 -3.46 112.91 115.38 2wrl h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wrl h THR 14 Cb 0.53 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2wrl h THR 14 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2wrl n GLY 15 N -1.24 3.25 3.69 2.16 0.00 -1.26 -3.04 105.19 108.75 2wrl n GLY 15 Ca -0.02 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 2wrl n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl s ALA 16 N -0.08 1.64 0.00 4.61 0.00 -1.26 -1.49 121.76 125.18 2wrl s ALA 16 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2wrl s ALA 16 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2wrl s ALA 16 CO 0.00 -2.55 0.18 0.54 0.00 0.00 0.00 175.76 173.93 2wrl n ARG 17 N -3.98 0.54 0.00 0.00 5.12 -0.10 -4.74 116.66 113.50 2wrl n ARG 17 Ca 0.12 -0.18 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2wrl n ARG 17 Cb 0.52 -0.61 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 2wrl n ARG 17 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wrl n LYS 18 N -0.13 0.00 -4.15 5.56 5.02 -1.19 -4.30 118.16 118.97 2wrl n LYS 18 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2wrl n LYS 18 Cb 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.99 2wrl n LYS 18 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2wrl s ILE 19 N 0.00 0.99 -0.08 -0.18 -4.36 -0.99 -1.38 121.20 115.19 2wrl s ILE 19 Ca 0.00 -1.29 -0.03 0.00 -0.26 0.00 0.00 60.65 59.07 2wrl s ILE 19 Cb 0.00 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 2wrl s ILE 19 CO 0.00 -0.28 0.06 -0.32 0.24 0.00 0.00 174.94 174.64 2wrl s MET 20 N -1.79 3.13 0.50 0.37 -2.45 -0.51 0.63 119.30 119.19 2wrl s MET 20 Ca -0.03 -0.34 -0.21 0.00 -1.25 0.00 0.00 55.69 53.86 2wrl s MET 20 Cb -0.09 -2.92 -0.06 0.00 1.25 0.00 0.00 34.83 33.00 2wrl s MET 20 CO 0.02 0.72 1.18 0.00 1.05 0.00 0.00 175.02 177.98 2wrl n ILE 22 N -0.87 0.00 0.00 0.00 2.08 0.18 -1.78 119.36 118.97 2wrl n ILE 22 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 2wrl n ILE 22 Cb 0.49 0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.58 2wrl n ILE 22 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 2wrl n ARG 23 N -1.53 0.00 -3.49 0.38 1.85 -1.08 -4.76 116.66 108.03 2wrl n ARG 23 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 2wrl n ARG 23 Cb 0.09 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.44 2wrl n ARG 23 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2wrl s VAL 24 N -2.00 5.17 -0.77 8.89 -7.23 -1.26 -1.14 120.40 122.06 2wrl s VAL 24 Ca 0.00 0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 60.87 2wrl s VAL 24 Cb 0.00 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.29 2wrl s VAL 24 CO 0.00 0.47 2.72 0.18 -0.31 0.00 0.00 175.10 178.17 2wrl n LEU 25 N 2.71 7.01 0.00 1.32 4.77 -0.15 -4.68 117.00 127.98 2wrl n LEU 25 Ca -0.12 -4.29 0.00 0.00 -0.03 0.00 0.00 56.01 51.57 2wrl n LEU 25 Cb 0.52 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 2wrl n LEU 25 CO 0.39 1.86 0.00 1.17 -1.33 0.00 0.00 177.39 179.48 2wrl n LYS 26 N 1.43 0.00 0.00 3.23 3.00 -1.26 -4.75 118.16 119.81 2wrl n LYS 26 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 2wrl n LYS 26 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 2wrl n LYS 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wrl n GLY 27 N 3.96 1.94 1.18 3.14 0.00 -1.26 -4.98 105.19 109.16 2wrl n GLY 27 Ca 0.00 -1.24 0.12 0.00 0.00 0.00 0.00 46.02 44.89 2wrl n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wrl n SER 28 N 0.00 3.55 -2.31 1.61 3.41 -1.26 -4.62 113.62 114.00 2wrl n SER 28 Ca 0.00 -1.99 -0.02 0.00 -0.26 0.00 0.00 58.87 56.60 2wrl n SER 28 Cb 0.00 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.64 2wrl n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wrl n ASN 29 N 1.49 -0.79 -4.73 4.04 0.23 -1.26 -5.13 115.26 109.10 2wrl n ASN 29 Ca 0.20 -1.46 -0.41 0.00 -0.53 0.00 0.00 54.58 52.38 2wrl n ASN 29 Cb 0.60 0.69 -0.03 0.00 -2.08 0.00 0.00 39.78 38.96 2wrl n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wrl s ALA 30 N 0.02 3.48 0.05 -2.53 0.00 -1.26 -4.95 121.76 116.58 2wrl s ALA 30 Ca 0.02 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 2wrl s ALA 30 Cb 0.05 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.51 2wrl s ALA 30 CO -0.01 -0.47 1.19 0.87 0.00 0.00 0.00 175.76 177.34 2wrl h LYS 31 N 5.72 0.59 0.00 0.00 1.57 -1.98 -3.45 116.57 119.02 2wrl h LYS 31 Ca -0.44 -0.56 -0.51 0.00 -1.87 0.00 0.00 60.65 57.27 2wrl h LYS 31 Cb 1.21 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.55 2wrl h LYS 31 CO 0.78 1.18 -0.44 0.66 -0.57 0.00 0.00 179.45 181.06 2wrl n TYR 32 N -4.08 -0.04 -3.67 -1.35 4.02 -1.26 -4.69 117.16 106.10 2wrl n TYR 32 Ca -0.09 -2.51 -0.12 0.00 -0.01 0.00 0.00 57.90 55.17 2wrl n TYR 32 Cb 0.72 0.05 -0.12 0.00 -0.02 0.00 0.00 39.34 39.97 2wrl n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wrl s ALA 33 N -3.09 -0.69 0.20 -0.72 0.00 0.39 -4.89 121.76 112.96 2wrl s ALA 33 Ca 0.23 1.07 0.11 0.00 0.00 0.00 0.00 51.96 53.37 2wrl s ALA 33 Cb 0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2wrl s ALA 33 CO 0.16 -0.63 -0.23 -0.08 0.00 0.00 0.00 175.76 174.98 2wrl s THR 34 N 2.37 2.34 0.00 0.00 -1.32 -1.26 -1.68 115.64 116.09 2wrl s THR 34 Ca -0.00 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.40 2wrl s THR 34 Cb -0.12 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 2wrl s THR 34 CO -0.09 -0.16 0.00 0.52 -2.21 0.00 0.00 174.62 172.67 2wrl n VAL 35 N 0.16 0.00 -0.27 5.08 0.31 -1.26 -1.91 118.33 120.44 2wrl n VAL 35 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2wrl n VAL 35 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2wrl n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrl n GLY 36 N 0.00 0.68 3.89 2.92 0.00 -0.77 -4.87 105.19 107.04 2wrl n GLY 36 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wrl n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wrl s ASP 37 N -2.81 6.27 -0.17 1.61 1.01 -0.80 -4.87 116.67 116.90 2wrl s ASP 37 Ca 0.00 0.32 -0.09 0.00 0.71 0.00 0.00 52.55 53.48 2wrl s ASP 37 Cb 0.00 -1.95 -0.05 0.00 1.01 0.00 0.00 42.92 41.94 2wrl s ASP 37 CO 0.00 0.26 0.14 -0.69 0.21 0.00 0.00 175.17 175.09 2wrl s VAL 38 N -1.31 5.43 0.30 -1.27 1.01 -1.26 -1.31 120.40 121.99 2wrl s VAL 38 Ca 0.27 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.54 2wrl s VAL 38 Cb -0.13 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 2wrl s VAL 38 CO 0.18 0.49 -0.08 0.27 0.00 0.00 0.00 175.10 175.96 2wrl s ILE 39 N -0.06 1.89 -0.20 2.22 -4.36 -0.49 -0.98 121.20 119.22 2wrl s ILE 39 Ca 0.10 -2.17 -0.06 0.00 -0.26 0.00 0.00 60.65 58.26 2wrl s ILE 39 Cb -0.11 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 2wrl s ILE 39 CO 0.00 -0.28 0.02 -0.69 0.24 0.00 0.00 174.94 174.23 2wrl s VAL 40 N -2.85 4.17 -0.01 8.37 1.01 -0.29 -2.27 120.40 128.54 2wrl s VAL 40 Ca 0.30 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2wrl s VAL 40 Cb 0.03 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2wrl s VAL 40 CO 0.13 0.42 -0.01 0.00 0.00 0.00 0.00 175.10 175.64 2wrl s ALA 41 N 0.96 0.17 0.25 5.51 0.00 0.36 0.51 121.76 129.53 2wrl s ALA 41 Ca 0.02 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.74 2wrl s ALA 41 Cb -0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 2wrl s ALA 41 CO 0.02 0.01 0.82 0.45 0.00 0.00 0.00 175.76 177.06 2wrl s SER 42 N 0.18 7.22 0.07 0.00 0.15 -0.68 0.12 113.70 120.77 2wrl s SER 42 Ca -0.02 1.62 -0.27 0.00 0.70 0.00 0.00 55.95 57.99 2wrl s SER 42 Cb -0.03 -2.50 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 2wrl s SER 42 CO -0.01 0.02 0.84 -0.69 1.20 0.00 0.00 173.24 174.60 2wrl s VAL 43 N -1.51 4.64 -0.13 4.45 1.01 0.07 -1.42 120.40 127.51 2wrl s VAL 43 Ca 0.45 1.79 0.11 0.00 0.00 0.00 0.00 61.98 64.33 2wrl s VAL 43 Cb -0.18 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 2wrl s VAL 43 CO 0.23 0.35 0.28 0.29 0.00 0.00 0.00 175.10 176.25 2wrl n LYS 44 N 2.77 1.11 -3.59 2.72 4.76 -0.48 -2.12 118.16 123.33 2wrl n LYS 44 Ca -0.01 -0.07 -0.10 0.00 -2.87 0.00 0.00 58.31 55.25 2wrl n LYS 44 Cb 0.50 -1.19 -0.06 0.00 -1.84 0.00 0.00 35.03 32.44 2wrl n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wrl s GLU 45 N -2.56 0.59 0.06 1.97 -1.05 -1.01 -4.94 118.70 111.76 2wrl s GLU 45 Ca -0.02 0.29 -0.23 0.00 -0.15 0.00 0.00 54.97 54.86 2wrl s GLU 45 Cb 0.07 0.28 0.06 0.00 -0.44 0.00 0.00 34.13 34.10 2wrl s GLU 45 CO 0.44 -0.15 0.54 0.00 0.95 0.00 0.00 175.26 177.03 2wrl s ALA 46 N -0.71 -1.38 0.37 -0.84 0.00 -1.26 -0.92 121.76 117.01 2wrl s ALA 46 Ca -0.01 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.30 2wrl s ALA 46 Cb -0.02 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.47 2wrl s ALA 46 CO -0.00 -0.55 1.05 0.42 0.00 0.00 0.00 175.76 176.68 2wrl s ILE 47 N -2.65 3.69 0.00 0.00 1.01 -0.56 -4.90 121.20 117.79 2wrl s ILE 47 Ca -0.04 1.38 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2wrl s ILE 47 Cb -0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2wrl s ILE 47 CO -0.03 0.09 0.00 -2.65 0.00 0.00 0.00 174.94 172.35 2wrl n PRO 48 N 0.22 0.00 -1.70 2.79 -0.02 -1.26 -4.06 135.00 130.97 2wrl n PRO 48 Ca 0.04 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.12 2wrl n PRO 48 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.94 2wrl n PRO 48 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2wrl s ARG 49 N 0.00 2.61 0.31 -0.52 3.03 -1.26 -4.90 118.95 118.22 2wrl s ARG 49 Ca 0.00 1.46 0.05 0.00 2.03 0.00 0.00 55.73 59.26 2wrl s ARG 49 Cb 0.00 -4.45 -0.03 0.00 -1.03 0.00 0.00 34.95 29.44 2wrl s ARG 49 CO 0.00 -2.70 0.27 0.20 -1.13 0.00 0.00 175.30 171.94 2wrl s GLY 50 N 9.75 2.07 0.00 3.88 0.00 -1.26 -5.01 107.32 116.74 2wrl s GLY 50 Ca 0.91 -1.94 0.26 0.00 0.00 0.00 0.00 44.72 43.95 2wrl s GLY 50 CO 0.29 -1.40 1.86 0.00 0.00 0.00 0.00 173.10 173.84 2wrl n ALA 51 N -0.55 2.26 -2.97 3.20 0.00 -1.17 -4.75 120.51 116.53 2wrl n ALA 51 Ca 0.06 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 2wrl n ALA 51 Cb 0.63 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 2wrl n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wrl s VAL 52 N -2.69 0.13 -0.14 0.00 1.01 -1.20 -5.04 120.40 112.46 2wrl s VAL 52 Ca 0.21 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 2wrl s VAL 52 Cb 0.17 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.32 2wrl s VAL 52 CO 0.41 -0.48 0.41 -0.54 0.00 0.00 0.00 175.10 174.90 2wrl s LYS 53 N -1.44 0.50 0.03 2.72 1.02 -1.26 -4.45 119.74 116.85 2wrl s LYS 53 Ca -0.15 0.52 -0.04 0.00 0.02 0.00 0.00 55.97 56.32 2wrl s LYS 53 Cb -0.10 0.24 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 2wrl s LYS 53 CO -0.01 -0.07 0.08 0.39 -0.92 0.00 0.00 175.35 174.82 2wrl n GLU 54 N 2.74 0.00 0.00 1.68 1.02 -1.26 -2.53 120.64 122.29 2wrl n GLU 54 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2wrl n GLU 54 Cb 0.57 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 2wrl n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wrl n GLY 55 N 0.28 3.03 3.68 0.62 0.00 -0.90 -4.97 105.19 106.94 2wrl n GLY 55 Ca 0.03 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 2wrl n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wrl n ASP 56 N 0.49 3.60 -4.54 1.61 10.43 -1.05 -4.52 116.55 122.57 2wrl n ASP 56 Ca 0.00 1.01 -0.43 0.00 2.57 0.00 0.00 54.79 57.94 2wrl n ASP 56 Cb 0.00 -1.47 -0.05 0.00 1.84 0.00 0.00 41.12 41.45 2wrl n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wrl s VAL 57 N 2.47 4.57 0.33 2.53 1.01 -1.26 -0.75 120.40 129.30 2wrl s VAL 57 Ca 0.84 0.45 0.05 0.00 0.00 0.00 0.00 61.98 63.31 2wrl s VAL 57 Cb -0.60 -4.38 -0.07 0.00 0.00 0.00 0.00 36.38 31.34 2wrl s VAL 57 CO 0.41 -0.81 0.04 0.68 0.00 0.00 0.00 175.10 175.42 2wrl s VAL 58 N 3.49 1.38 -0.16 2.92 -7.23 0.12 -4.93 120.40 115.98 2wrl s VAL 58 Ca 0.31 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2wrl s VAL 58 Cb -0.12 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 2wrl s VAL 58 CO 0.23 -0.04 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.43 2wrl s LYS 59 N -3.84 3.72 0.06 4.82 1.02 -1.26 0.14 119.74 124.39 2wrl s LYS 59 Ca 0.35 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.88 2wrl s LYS 59 Cb 0.08 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 2wrl s LYS 59 CO 0.16 0.28 -0.05 0.00 -0.92 0.00 0.00 175.35 174.82 2wrl s ALA 60 N 0.29 0.57 0.10 5.17 0.00 -0.96 -0.12 121.76 126.80 2wrl s ALA 60 Ca -0.01 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.93 2wrl s ALA 60 Cb -0.14 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2wrl s ALA 60 CO 0.02 -0.24 0.00 0.54 0.00 0.00 0.00 175.76 176.08 2wrl s VAL 61 N -3.01 3.99 0.29 0.00 0.11 0.95 -1.40 120.40 121.33 2wrl s VAL 61 Ca 0.01 -1.04 -0.21 0.00 -2.93 0.00 0.00 61.98 57.81 2wrl s VAL 61 Cb 0.01 -2.92 -0.09 0.00 -1.53 0.00 0.00 36.38 31.86 2wrl s VAL 61 CO -0.05 0.09 0.82 -0.69 -3.33 0.00 0.00 175.10 171.93 2wrl s VAL 62 N -1.37 4.46 0.00 2.04 1.01 -0.43 -1.38 120.40 124.73 2wrl s VAL 62 Ca 0.26 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2wrl s VAL 62 Cb -0.11 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2wrl s VAL 62 CO 0.18 0.07 0.26 1.33 0.00 0.00 0.00 175.10 176.95 2wrl n VAL 63 N 0.35 0.00 -3.47 2.92 0.24 -1.04 -1.84 118.33 115.50 2wrl n VAL 63 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2wrl n VAL 63 Cb 0.51 1.21 -0.05 0.00 -1.47 0.00 0.00 33.84 34.05 2wrl n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wrl s ARG 64 N 0.00 0.34 0.22 7.34 0.52 -1.26 -3.07 118.95 123.03 2wrl s ARG 64 Ca 0.00 0.78 0.11 0.00 -0.52 0.00 0.00 55.73 56.10 2wrl s ARG 64 Cb 0.00 0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.83 2wrl s ARG 64 CO 0.00 -0.11 -0.21 0.95 0.02 0.00 0.00 175.30 175.96 2wrl s THR 65 N 2.26 2.23 -0.39 0.02 -4.23 -1.23 -1.63 115.64 112.68 2wrl s THR 65 Ca -0.04 -2.15 0.23 0.00 -1.18 0.00 0.00 61.69 58.55 2wrl s THR 65 Cb -0.06 -2.12 0.24 0.00 1.34 0.00 0.00 72.50 71.90 2wrl s THR 65 CO -0.17 -0.29 1.44 0.50 -0.54 0.00 0.00 174.62 175.56 2wrl h LYS 66 N 2.85 0.00 -5.17 3.99 1.63 -1.72 -2.82 116.57 115.34 2wrl h LYS 66 Ca -0.43 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 58.71 2wrl h LYS 66 Cb 1.23 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.69 2wrl h LYS 66 CO 0.54 0.00 0.61 0.21 -3.45 0.00 0.00 179.45 177.36 2wrl s LYS 67 N -3.25 3.31 0.39 1.90 2.47 -1.26 -4.70 119.74 118.60 2wrl s LYS 67 Ca 0.05 -1.29 -0.11 0.00 -1.56 0.00 0.00 55.97 53.06 2wrl s LYS 67 Cb 0.07 -4.53 -0.09 0.00 -1.46 0.00 0.00 37.83 31.82 2wrl s LYS 67 CO 0.70 -1.76 -0.19 -0.85 0.16 0.00 0.00 175.35 173.41 2wrl n GLU 68 N 7.03 0.00 -4.39 4.03 0.00 -1.26 -4.38 120.64 121.68 2wrl n GLU 68 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.89 2wrl n GLU 68 Cb 0.47 -0.60 -0.12 0.00 0.00 0.00 0.00 31.44 31.19 2wrl n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2wrl s ILE 69 N -1.21 3.99 -0.39 3.84 1.09 0.98 -4.93 121.20 124.57 2wrl s ILE 69 Ca 0.32 -0.33 -0.20 0.00 -1.10 0.00 0.00 60.65 59.34 2wrl s ILE 69 Cb -0.25 -2.74 0.01 0.00 -1.06 0.00 0.00 42.46 38.43 2wrl s ILE 69 CO 0.43 0.51 0.61 -0.54 -0.10 0.00 0.00 174.94 175.85 2wrl s LYS 70 N 0.13 3.47 0.67 2.79 1.02 -1.26 -2.10 119.74 124.47 2wrl s LYS 70 Ca -0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 55.97 55.67 2wrl s LYS 70 Cb -0.13 -3.88 -0.01 0.00 -0.52 0.00 0.00 37.83 33.29 2wrl s LYS 70 CO 0.03 -0.84 1.06 1.03 -0.92 0.00 0.00 175.35 175.70 2wrl s ARG 71 N 2.67 3.13 0.21 1.68 1.81 -0.80 -4.93 118.95 122.72 2wrl s ARG 71 Ca 0.22 0.75 0.24 0.00 -1.72 0.00 0.00 55.73 55.22 2wrl s ARG 71 Cb -0.15 -2.03 0.91 0.00 -0.45 0.00 0.00 34.95 33.23 2wrl s ARG 71 CO 0.16 -0.91 1.74 -0.35 -0.68 0.00 0.00 175.30 175.26 2wrl n PRO 72 N -2.97 0.20 -1.01 3.54 -0.04 -1.26 -2.90 135.00 130.56 2wrl n PRO 72 Ca 0.07 0.30 -0.21 0.00 -0.04 0.00 0.00 63.50 63.62 2wrl n PRO 72 Cb 0.55 -1.80 0.05 0.00 -0.04 0.00 0.00 33.50 32.25 2wrl n PRO 72 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wrl n ASP 73 N -2.16 6.77 -1.84 3.54 5.68 -1.26 -4.85 116.55 122.44 2wrl n ASP 73 Ca 0.04 -3.24 -0.08 0.00 -0.50 0.00 0.00 54.79 51.01 2wrl n ASP 73 Cb 0.31 -1.04 -0.02 0.00 -1.14 0.00 0.00 41.12 39.23 2wrl n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wrl n GLY 74 N 0.06 0.12 3.95 6.12 0.00 -1.14 -4.94 105.19 109.35 2wrl n GLY 74 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 2wrl n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wrl s SER 75 N -1.83 4.88 -0.02 1.61 1.04 -1.25 -4.96 113.70 113.17 2wrl s SER 75 Ca 0.00 -1.02 -0.08 0.00 0.48 0.00 0.00 55.95 55.33 2wrl s SER 75 Cb 0.00 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.35 2wrl s SER 75 CO 0.00 -1.13 0.18 0.00 0.98 0.00 0.00 173.24 173.27 2wrl s ALA 76 N -2.69 -0.43 0.06 5.32 0.00 -1.26 -1.90 121.76 120.87 2wrl s ALA 76 Ca 0.47 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2wrl s ALA 76 Cb -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2wrl s ALA 76 CO 0.29 -0.19 -0.12 -1.50 0.00 0.00 0.00 175.76 174.24 2wrl s ILE 77 N -1.02 0.89 -0.20 0.00 1.10 -0.89 -4.95 121.20 116.12 2wrl s ILE 77 Ca -0.11 -1.23 -0.27 0.00 -0.51 0.00 0.00 60.65 58.52 2wrl s ILE 77 Cb -0.06 -0.91 0.10 0.00 0.15 0.00 0.00 42.46 41.74 2wrl s ILE 77 CO 0.02 -0.30 0.87 -0.60 -2.11 0.00 0.00 174.94 172.82 2wrl s ARG 78 N -1.72 0.73 0.53 3.50 3.52 -1.26 -0.02 118.95 124.23 2wrl s ARG 78 Ca -0.05 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 2wrl s ARG 78 Cb -0.10 0.35 0.01 0.00 -1.56 0.00 0.00 34.95 33.65 2wrl s ARG 78 CO 0.01 -0.15 0.09 -0.06 -0.81 0.00 0.00 175.30 174.38 2wrl s PHE 79 N -0.32 1.70 -0.15 5.12 0.40 -1.06 -5.04 117.98 118.63 2wrl s PHE 79 Ca -0.02 -0.98 0.18 0.00 -0.60 0.00 0.00 56.93 55.52 2wrl s PHE 79 Cb -0.03 -1.65 -0.10 0.00 0.51 0.00 0.00 43.02 41.75 2wrl s PHE 79 CO 0.01 0.04 0.87 -0.25 0.70 0.00 0.00 175.22 176.60 2wrl n ASP 80 N -1.42 0.84 -3.84 1.36 9.92 -1.26 -4.32 116.55 117.84 2wrl n ASP 80 Ca -0.18 0.36 -0.22 0.00 -0.53 0.00 0.00 54.79 54.22 2wrl n ASP 80 Cb 0.66 0.26 -0.04 0.00 -0.64 0.00 0.00 41.12 41.36 2wrl n ASP 80 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2wrl n ASP 81 N -2.82 2.95 -3.96 -2.24 5.75 -1.26 -4.83 116.55 110.14 2wrl n ASP 81 Ca -0.07 -2.52 -0.29 0.00 -0.01 0.00 0.00 54.79 51.90 2wrl n ASP 81 Cb 0.76 0.24 -0.16 0.00 -1.03 0.00 0.00 41.12 40.92 2wrl n ASP 81 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2wrl s ASN 82 N -2.92 2.83 0.43 -1.12 -0.87 -1.24 -2.99 114.94 109.06 2wrl s ASN 82 Ca 0.01 -0.61 0.01 0.00 -1.57 0.00 0.00 52.86 50.70 2wrl s ASN 82 Cb -0.00 -1.08 -0.00 0.00 -0.02 0.00 0.00 41.25 40.15 2wrl s ASN 82 CO 0.00 -0.12 0.04 0.00 -2.57 0.00 0.00 177.10 174.45 2wrl n ALA 83 N 4.80 0.43 -3.54 0.60 0.00 -0.64 0.78 120.51 122.93 2wrl n ALA 83 Ca -0.14 -1.98 -0.07 0.00 0.00 0.00 0.00 53.44 51.24 2wrl n ALA 83 Cb 0.48 1.16 -0.02 0.00 0.00 0.00 0.00 19.45 21.07 2wrl n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl s ALA 84 N -2.85 -1.84 -0.02 0.00 0.00 -0.64 -2.49 121.76 113.93 2wrl s ALA 84 Ca 0.06 0.96 0.08 0.00 0.00 0.00 0.00 51.96 53.06 2wrl s ALA 84 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 2wrl s ALA 84 CO 0.04 -0.73 -0.26 0.08 0.00 0.00 0.00 175.76 174.90 2wrl s VAL 85 N -3.05 2.03 0.22 0.00 1.01 -0.48 -0.94 120.40 119.19 2wrl s VAL 85 Ca 0.06 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 2wrl s VAL 85 Cb -0.01 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 2wrl s VAL 85 CO -0.07 0.56 0.71 -0.63 0.00 0.00 0.00 175.10 175.67 2wrl s ILE 86 N -0.61 4.60 0.32 2.22 1.09 -1.26 -0.04 121.20 127.53 2wrl s ILE 86 Ca 0.10 1.22 0.03 0.00 -1.10 0.00 0.00 60.65 60.90 2wrl s ILE 86 Cb -0.10 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.43 2wrl s ILE 86 CO -0.01 0.19 0.12 0.27 -0.10 0.00 0.00 174.94 175.41 2wrl s ILE 87 N -1.55 0.60 0.52 2.92 -0.00 0.82 -1.60 121.20 122.93 2wrl s ILE 87 Ca 0.43 -2.00 0.07 0.00 -0.00 0.00 0.00 60.65 59.15 2wrl s ILE 87 Cb -0.16 -2.55 0.04 0.00 -0.00 0.00 0.00 42.46 39.78 2wrl s ILE 87 CO 0.21 0.00 0.48 0.54 -0.00 0.00 0.00 174.94 176.16 2wrl s ASN 88 N -3.44 4.81 0.00 4.36 4.22 -0.99 -4.24 114.94 119.66 2wrl s ASN 88 Ca 0.33 -1.06 0.00 0.00 -2.14 0.00 0.00 52.86 49.99 2wrl s ASN 88 Cb 0.06 0.19 0.00 0.00 1.28 0.00 0.00 41.25 42.78 2wrl s ASN 88 CO 0.16 -1.06 0.09 0.59 -2.04 0.00 0.00 177.10 174.84 2wrl n ASN 89 N -1.82 0.05 -0.11 3.54 4.13 -1.26 -0.07 115.26 119.72 2wrl n ASN 89 Ca 0.03 -0.23 0.03 0.00 1.68 0.00 0.00 54.58 56.10 2wrl n ASN 89 Cb 0.63 -0.02 0.04 0.00 -1.54 0.00 0.00 39.78 38.89 2wrl n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wrl n GLN 90 N -0.11 1.38 -2.24 3.52 6.02 -1.26 -4.99 117.38 119.70 2wrl n GLN 90 Ca 0.00 -1.57 -0.19 0.00 -0.01 0.00 0.00 57.00 55.24 2wrl n GLN 90 Cb 0.01 -0.98 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 2wrl n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wrl n LEU 91 N -0.61 -1.68 -4.58 1.08 7.99 0.90 -4.98 117.00 115.12 2wrl n LEU 91 Ca 0.05 0.12 -0.34 0.00 -0.01 0.00 0.00 56.01 55.83 2wrl n LEU 91 Cb 0.50 -2.73 -0.11 0.00 -0.11 0.00 0.00 43.42 40.97 2wrl n LEU 91 CO 0.00 -0.35 -0.31 -1.61 -1.51 0.00 0.00 177.39 173.62 2wrl s GLU 92 N -4.77 3.73 0.19 3.23 2.02 -1.26 -4.84 118.70 117.01 2wrl s GLU 92 Ca 0.00 -0.43 -0.32 0.00 0.02 0.00 0.00 54.97 54.23 2wrl s GLU 92 Cb 0.00 -3.02 -0.15 0.00 0.10 0.00 0.00 34.13 31.06 2wrl s GLU 92 CO 0.00 0.31 1.27 -0.35 0.02 0.00 0.00 175.26 176.51 2wrl n PRO 93 N 3.37 1.50 0.00 0.39 -0.04 -1.26 -2.34 135.00 136.62 2wrl n PRO 93 Ca -0.17 0.54 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 2wrl n PRO 93 Cb 0.52 -2.10 0.62 0.00 -0.04 0.00 0.00 33.50 32.50 2wrl n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wrl n ARG 94 N 1.92 1.29 -0.86 0.54 1.74 -0.62 -4.86 116.66 115.82 2wrl n ARG 94 Ca 0.14 -0.59 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 2wrl n ARG 94 Cb 0.27 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2wrl n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 95 N 1.17 3.53 0.03 -0.13 0.00 -1.26 -4.84 105.19 103.69 2wrl n GLY 95 Ca 0.19 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2wrl n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wrl n THR 96 N -0.34 0.20 -3.79 2.61 -2.24 -1.26 -5.04 114.28 104.41 2wrl n THR 96 Ca 0.00 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 2wrl n THR 96 Cb 0.00 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 2wrl n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wrl s ARG 97 N -0.21 1.05 -0.14 -0.78 1.81 -1.26 -5.05 118.95 114.37 2wrl s ARG 97 Ca 0.00 -0.92 -0.10 0.00 -1.72 0.00 0.00 55.73 53.00 2wrl s ARG 97 Cb 0.00 0.41 0.05 0.00 -0.45 0.00 0.00 34.95 34.96 2wrl s ARG 97 CO 0.00 -0.39 0.36 0.14 -0.68 0.00 0.00 175.30 174.73 2wrl s VAL 98 N -3.87 -0.02 0.39 3.52 -7.23 -1.26 -3.85 120.40 108.09 2wrl s VAL 98 Ca 0.08 0.06 0.08 0.00 -1.81 0.00 0.00 61.98 60.38 2wrl s VAL 98 Cb 0.03 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 2wrl s VAL 98 CO -0.08 0.02 0.35 -0.36 -0.31 0.00 0.00 175.10 174.72 2wrl s PHE 99 N 0.82 2.77 0.60 2.82 0.08 -1.05 -4.47 117.98 119.54 2wrl s PHE 99 Ca -0.05 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.57 2wrl s PHE 99 Cb -0.06 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.35 2wrl s PHE 99 CO -0.06 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.46 2wrl n GLY 100 N -1.48 -3.52 3.31 4.36 0.00 -1.26 -4.87 105.19 101.72 2wrl n GLY 100 Ca 0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 2wrl n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wrl n PRO 101 N -3.67 -3.34 -3.70 1.61 -0.04 -1.26 -4.50 135.00 120.09 2wrl n PRO 101 Ca -0.06 -0.97 -0.14 0.00 -0.04 0.00 0.00 63.50 62.29 2wrl n PRO 101 Cb 0.60 -1.95 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 2wrl n PRO 101 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2wrl s VAL 102 N -2.24 0.02 0.03 0.52 -7.23 -1.08 -4.93 120.40 105.49 2wrl s VAL 102 Ca 0.64 -0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.33 2wrl s VAL 102 Cb -0.17 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 36.03 2wrl s VAL 102 CO 0.60 -0.10 1.33 0.00 -0.31 0.00 0.00 175.10 176.62 2wrl s ALA 103 N -0.55 3.53 -1.26 1.32 0.00 -1.18 -2.05 121.76 121.58 2wrl s ALA 103 Ca -0.07 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2wrl s ALA 103 Cb -0.03 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2wrl s ALA 103 CO 0.03 -0.74 0.74 2.89 0.00 0.00 0.00 175.76 178.68 2wrl n ARG 104 N 4.78 0.00 0.07 0.00 1.85 -0.25 -2.17 116.66 120.95 2wrl n ARG 104 Ca 0.12 0.26 0.04 0.00 -1.00 0.00 0.00 57.85 57.27 2wrl n ARG 104 Cb 0.44 -1.53 0.23 0.00 -1.05 0.00 0.00 32.46 30.55 2wrl n ARG 104 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2wrl n GLU 105 N -1.24 0.06 0.11 2.89 4.71 -1.26 -1.64 120.64 124.27 2wrl n GLU 105 Ca 0.00 0.52 -0.11 0.00 -0.01 0.00 0.00 57.16 57.55 2wrl n GLU 105 Cb 0.03 -1.76 -0.07 0.00 -1.01 0.00 0.00 31.44 28.63 2wrl n GLU 105 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2wrl h LEU 106 N 0.00 -0.29 -0.86 -4.62 3.38 -1.77 -3.30 115.31 107.85 2wrl h LEU 106 Ca 0.00 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 57.84 2wrl h LEU 106 Cb 0.15 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.86 2wrl h LEU 106 CO 0.00 0.19 -0.42 -1.14 0.09 0.00 0.00 178.44 177.15 2wrl n ARG 107 N -5.03 -0.29 0.00 1.13 0.63 -0.65 0.19 116.66 112.64 2wrl n ARG 107 Ca -0.08 1.31 0.00 0.00 -0.92 0.00 0.00 57.85 58.16 2wrl n ARG 107 Cb 0.26 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.24 2wrl n ARG 107 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2wrl n GLU 108 N -5.17 0.80 -0.00 -0.14 0.00 -1.25 -2.26 120.64 112.62 2wrl n GLU 108 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.27 2wrl n GLU 108 Cb 0.28 -1.11 -0.08 0.00 0.00 0.00 0.00 31.44 30.53 2wrl n GLU 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wrl n LYS 109 N -0.33 2.51 -0.04 3.44 4.76 0.51 -4.98 118.16 124.02 2wrl n LYS 109 Ca 0.00 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2wrl n LYS 109 Cb 0.06 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2wrl n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrl n GLY 110 N 1.35 0.98 2.96 0.72 0.00 -0.96 -5.02 105.19 105.22 2wrl n GLY 110 Ca 0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2wrl n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wrl n PHE 111 N -2.04 2.31 0.21 1.61 3.72 -1.22 -4.81 117.46 117.23 2wrl n PHE 111 Ca 0.00 -2.64 -0.09 0.00 -0.05 0.00 0.00 57.45 54.67 2wrl n PHE 111 Cb 0.00 -1.21 -0.04 0.00 -0.94 0.00 0.00 39.48 37.28 2wrl n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2wrl h MET 112 N 5.30 -0.58 -0.69 -1.08 2.86 -1.87 -3.19 114.93 115.69 2wrl h MET 112 Ca 0.21 0.04 0.23 0.00 -2.06 0.00 0.00 59.70 58.13 2wrl h MET 112 Cb 0.60 0.13 -0.13 0.00 0.06 0.00 0.00 31.60 32.27 2wrl h MET 112 CO 1.31 -0.39 0.18 1.17 1.06 0.00 0.00 176.91 180.24 2wrl n LYS 113 N -5.12 -0.05 0.22 1.72 3.00 -1.26 -0.22 118.16 116.45 2wrl n LYS 113 Ca -0.07 0.99 -0.09 0.00 -0.00 0.00 0.00 58.31 59.13 2wrl n LYS 113 Cb 0.24 -1.66 -0.04 0.00 0.00 0.00 0.00 35.03 33.56 2wrl n LYS 113 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2wrl h ILE 114 N 0.00 0.00 -0.72 3.15 5.03 -1.97 -2.82 117.51 120.18 2wrl h ILE 114 Ca 0.49 -0.30 0.14 0.00 -0.12 0.00 0.00 64.86 65.07 2wrl h ILE 114 Cb 1.17 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.83 2wrl h ILE 114 CO -0.59 0.00 -0.24 0.58 -0.68 0.00 0.00 178.15 177.22 2wrl h VAL 115 N -0.90 0.21 0.00 1.67 2.07 -0.58 1.96 116.25 120.68 2wrl h VAL 115 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2wrl h VAL 115 Cb 0.46 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2wrl h VAL 115 CO 0.10 0.00 0.02 -1.54 0.02 0.00 0.00 177.57 176.17 2wrl n SER 116 N -5.48 0.00 -0.02 0.57 3.41 0.53 -1.54 113.62 111.09 2wrl n SER 116 Ca 0.09 0.45 0.01 0.00 -0.26 0.00 0.00 58.87 59.16 2wrl n SER 116 Cb 0.38 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.80 2wrl n SER 116 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wrl n LEU 117 N -1.45 0.00 -4.74 1.04 4.77 0.64 -5.03 117.00 112.23 2wrl n LEU 117 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2wrl n LEU 117 Cb 0.02 0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 2wrl n LEU 117 CO 0.00 0.10 0.76 0.00 -1.33 0.00 0.00 177.39 176.92 2wrl s ALA 118 N -2.50 2.17 -1.90 -1.18 0.00 0.48 -4.44 121.76 114.40 2wrl s ALA 118 Ca -0.04 0.70 0.30 0.00 0.00 0.00 0.00 51.96 52.92 2wrl s ALA 118 Cb 0.05 -3.40 1.44 0.00 0.00 0.00 0.00 23.12 21.20 2wrl s ALA 118 CO 0.40 -1.77 1.97 -0.35 0.00 0.00 0.00 175.76 176.02 2wrl n PRO 119 N -2.84 0.95 0.00 0.00 -0.04 -1.26 -4.84 135.00 126.97 2wrl n PRO 119 Ca 0.12 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2wrl n PRO 119 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2wrl n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wrl n GLU 120 N -0.79 0.00 -3.54 0.54 2.13 -1.26 -5.01 120.64 112.72 2wrl n GLU 120 Ca 0.18 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.59 2wrl n GLU 120 Cb 0.23 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.85 2wrl n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wrl s VAL 121 N 0.00 4.55 -2.74 6.31 1.01 -1.26 -2.63 120.40 125.64 2wrl s VAL 121 Ca 0.00 -1.27 0.26 0.00 0.00 0.00 0.00 61.98 60.97 2wrl s VAL 121 Cb 0.00 -3.75 0.37 0.00 0.00 0.00 0.00 36.38 33.00 2wrl s VAL 121 CO 0.00 -0.52 1.51 0.18 0.00 0.00 0.00 175.10 176.27