#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s ARG 3 N 0.00 2.51 -1.36 0.54 3.52 -1.26 -5.03 118.95 117.87 2wrl s ARG 3 Ca 0.00 -1.36 -0.12 0.00 -0.13 0.00 0.00 55.73 54.12 2wrl s ARG 3 Cb 0.00 -3.53 0.10 0.00 -1.56 0.00 0.00 34.95 29.96 2wrl s ARG 3 CO 0.00 -0.80 2.01 0.00 -0.81 0.00 0.00 175.30 175.70 2wrl n ALA 4 N 4.79 5.27 -0.80 6.12 0.00 -1.26 -5.01 120.51 129.62 2wrl n ALA 4 Ca -0.10 -4.08 -0.33 0.00 0.00 0.00 0.00 53.44 48.93 2wrl n ALA 4 Cb 0.44 -3.28 0.13 0.00 0.00 0.00 0.00 19.45 16.73 2wrl n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wrl n LYS 5 N 5.28 -0.29 -0.31 0.00 2.85 -1.26 -4.83 118.16 119.60 2wrl n LYS 5 Ca 0.46 -0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.79 2wrl n LYS 5 Cb 0.38 -1.99 0.28 0.00 -0.65 0.00 0.00 35.03 33.05 2wrl n LYS 5 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2wrl h THR 6 N -1.56 0.60 0.00 0.58 2.02 -2.04 -3.45 112.91 109.05 2wrl h THR 6 Ca -0.43 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2wrl h THR 6 Cb 1.28 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2wrl h THR 6 CO 0.36 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.96 2wrl n GLY 7 N -1.33 3.41 0.04 2.16 0.00 -1.26 -2.98 105.19 105.23 2wrl n GLY 7 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2wrl n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wrl n VAL 8 N 0.00 0.46 -0.21 1.61 3.14 -1.26 -4.59 118.33 117.47 2wrl n VAL 8 Ca 0.00 -0.56 0.11 0.00 -2.96 0.00 0.00 64.34 60.94 2wrl n VAL 8 Cb 0.00 -0.16 0.21 0.00 -1.06 0.00 0.00 33.84 32.83 2wrl n VAL 8 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2wrl n VAL 9 N -2.35 -0.26 0.08 1.55 0.31 -1.16 -2.20 118.33 114.30 2wrl n VAL 9 Ca -0.13 1.35 -0.04 0.00 -0.01 0.00 0.00 64.34 65.51 2wrl n VAL 9 Cb 0.72 -2.01 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 2wrl n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wrl h ARG 10 N 0.00 -0.23 -0.06 5.55 2.43 -1.81 -3.25 114.38 117.01 2wrl h ARG 10 Ca 0.40 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.61 2wrl h ARG 10 Cb 0.89 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2wrl h ARG 10 CO -0.57 -0.15 0.98 -0.09 -1.51 0.00 0.00 179.97 178.63 2wrl h ARG 11 N -0.55 0.00 0.00 0.20 2.43 -1.74 -1.35 114.38 113.37 2wrl h ARG 11 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wrl h ARG 11 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2wrl h ARG 11 CO 0.04 0.00 -0.00 0.00 -1.51 0.00 0.00 179.97 178.50 2wrl h ARG 12 N 0.00 -0.01 -0.60 0.20 3.08 -1.59 -3.20 114.38 112.26 2wrl h ARG 12 Ca 0.03 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.29 2wrl h ARG 12 Cb 1.98 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.93 2wrl h ARG 12 CO -0.00 -0.00 0.17 1.63 -1.07 0.00 0.00 179.97 180.70 2wrl n LYS 13 N -2.27 -0.04 -0.05 0.04 4.76 -0.52 0.00 118.16 120.08 2wrl n LYS 13 Ca -0.00 0.86 -0.13 0.00 -2.87 0.00 0.00 58.31 56.17 2wrl n LYS 13 Cb 0.00 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 31.67 2wrl n LYS 13 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wrl h HIS 14 N 0.00 0.34 0.00 2.13 3.86 -1.67 -2.65 115.15 117.16 2wrl h HIS 14 Ca 0.44 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2wrl h HIS 14 Cb 1.06 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.45 2wrl h HIS 14 CO -0.15 0.63 0.00 1.57 0.86 0.00 0.00 177.93 180.84 2wrl h LYS 15 N -0.05 0.00 0.00 2.45 2.10 -0.42 -0.37 116.57 120.28 2wrl h LYS 15 Ca 0.03 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 2wrl h LYS 15 Cb 0.55 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2wrl h LYS 15 CO 0.02 0.00 -0.16 0.87 -2.00 0.00 0.00 179.45 178.18 2wrl h LYS 16 N 0.00 0.00 0.00 0.07 1.57 -0.71 -2.17 116.57 115.32 2wrl h LYS 16 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2wrl h LYS 16 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2wrl h LYS 16 CO 0.00 0.16 -1.01 -0.89 -0.57 0.00 0.00 179.45 177.14 2wrl n ILE 17 N -3.60 1.48 -0.01 1.86 5.41 -0.47 -4.08 119.36 119.95 2wrl n ILE 17 Ca -0.01 0.06 0.21 0.00 1.00 0.00 0.00 62.75 64.01 2wrl n ILE 17 Cb 0.30 -2.20 0.50 0.00 -0.71 0.00 0.00 39.64 37.53 2wrl n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wrl h LEU 18 N -1.00 0.00 0.10 1.39 3.38 -1.09 0.95 115.31 119.03 2wrl h LEU 18 Ca -0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2wrl h LEU 18 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2wrl h LEU 18 CO -0.13 0.00 -0.07 0.50 0.09 0.00 0.00 178.44 178.83 2wrl h LYS 19 N 0.00 -0.16 0.00 1.13 3.64 -1.54 -2.46 116.57 117.19 2wrl h LYS 19 Ca 0.30 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2wrl h LYS 19 Cb 2.09 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.95 2wrl h LYS 19 CO -0.00 -0.11 0.24 1.28 -2.27 0.00 0.00 179.45 178.59 2wrl n LEU 20 N -2.65 0.32 0.07 5.20 7.99 0.31 -1.15 117.00 127.10 2wrl n LEU 20 Ca -0.02 0.55 -0.02 0.00 -0.01 0.00 0.00 56.01 56.51 2wrl n LEU 20 Cb 0.07 -0.53 -0.06 0.00 -0.11 0.00 0.00 43.42 42.79 2wrl n LEU 20 CO 0.05 -0.66 0.05 0.00 -1.51 0.00 0.00 177.39 175.32 2wrl h ALA 21 N 1.33 0.60 -0.86 -1.18 0.00 -1.28 -3.48 119.26 114.39 2wrl h ALA 21 Ca 0.00 -0.81 -0.60 0.00 0.00 0.00 0.00 54.91 53.50 2wrl h ALA 21 Cb 0.47 0.07 0.08 0.00 0.00 0.00 0.00 17.79 18.42 2wrl h ALA 21 CO 0.00 0.99 -0.35 1.63 0.00 0.00 0.00 179.25 181.52 2wrl n LYS 22 N -3.15 0.00 0.00 0.00 4.76 -0.30 -0.90 118.16 118.57 2wrl n LYS 22 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2wrl n LYS 22 Cb 0.86 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 33.10 2wrl n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrl n GLY 23 N 1.63 1.91 3.85 0.72 0.00 -1.26 -5.04 105.19 107.00 2wrl n GLY 23 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2wrl n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wrl s TYR 24 N -2.41 3.26 0.13 1.61 4.12 -0.08 -5.05 117.35 118.92 2wrl s TYR 24 Ca 0.00 1.20 -0.19 0.00 0.02 0.00 0.00 57.07 58.09 2wrl s TYR 24 Cb 0.00 -2.96 -0.07 0.00 -1.52 0.00 0.00 41.96 37.41 2wrl s TYR 24 CO 0.00 -1.19 0.63 -0.46 0.02 0.00 0.00 175.55 174.54 2wrl s TRP 25 N -3.21 3.76 0.00 2.71 -0.11 -1.26 -4.48 118.94 116.35 2wrl s TRP 25 Ca 0.58 1.31 0.00 0.00 1.22 0.00 0.00 56.10 59.21 2wrl s TRP 25 Cb -0.12 -2.54 0.00 0.00 -1.50 0.00 0.00 33.47 29.31 2wrl s TRP 25 CO 0.53 0.50 0.00 0.41 -4.62 0.00 0.00 176.95 173.78 2wrl n GLY 26 N 1.35 0.35 0.00 5.86 0.00 -1.26 -2.01 105.19 109.48 2wrl n GLY 26 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2wrl n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrl n LEU 27 N 0.00 0.00 0.18 0.99 4.77 -1.26 0.14 117.00 121.83 2wrl n LEU 27 Ca 0.00 0.09 0.14 0.00 -0.03 0.00 0.00 56.01 56.21 2wrl n LEU 27 Cb 0.00 -0.09 0.62 0.00 -2.33 0.00 0.00 43.42 41.61 2wrl n LEU 27 CO 0.00 -0.09 0.90 0.03 -1.33 0.00 0.00 177.39 176.90 2wrl h ARG 28 N 0.00 0.00 0.00 3.23 3.08 -1.64 -1.11 114.38 117.94 2wrl h ARG 28 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2wrl h ARG 28 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2wrl h ARG 28 CO 0.00 0.00 -1.56 -1.13 -1.07 0.00 0.00 179.97 176.21 2wrl n SER 29 N -2.46 2.76 -1.40 7.04 3.41 0.38 -4.06 113.62 119.30 2wrl n SER 29 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2wrl n SER 29 Cb 0.18 0.98 0.16 0.00 -0.26 0.00 0.00 64.21 65.27 2wrl n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wrl n LYS 30 N -2.16 2.18 -3.50 4.33 4.76 -1.05 -4.79 118.16 117.94 2wrl n LYS 30 Ca -0.10 -3.37 -0.17 0.00 -2.87 0.00 0.00 58.31 51.80 2wrl n LYS 30 Cb 0.60 -1.93 -0.13 0.00 -1.84 0.00 0.00 35.03 31.74 2wrl n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wrl s SER 31 N -2.67 1.22 0.44 4.39 0.15 -0.45 -4.91 113.70 111.88 2wrl s SER 31 Ca 0.47 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2wrl s SER 31 Cb 0.42 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 2wrl s SER 31 CO -0.00 -0.32 0.77 2.22 1.20 0.00 0.00 173.24 177.12 2wrl n PHE 32 N 5.32 0.00 0.00 3.44 -1.74 -1.26 0.45 117.46 123.67 2wrl n PHE 32 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.84 2wrl n PHE 32 Cb 0.50 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.50 2wrl n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2wrl n ARG 33 N -1.93 0.00 0.33 3.97 1.85 -1.26 -3.90 116.66 115.72 2wrl n ARG 33 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 57.01 2wrl n ARG 33 Cb 0.77 -0.56 0.87 0.00 -1.05 0.00 0.00 32.46 32.49 2wrl n ARG 33 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2wrl h LYS 34 N 0.00 0.00 0.00 2.89 1.79 -1.60 0.23 116.57 119.88 2wrl h LYS 34 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wrl h LYS 34 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2wrl h LYS 34 CO 0.00 0.00 -0.11 0.00 -1.08 0.00 0.00 179.45 178.26 2wrl h ALA 35 N 1.42 0.00 -1.35 3.86 0.00 -0.15 -3.06 119.26 120.00 2wrl h ALA 35 Ca 0.01 -0.11 0.43 0.00 0.00 0.00 0.00 54.91 55.23 2wrl h ALA 35 Cb 0.60 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 2wrl h ALA 35 CO -0.00 0.11 0.89 -0.09 0.00 0.00 0.00 179.25 180.16 2wrl h ARG 36 N -0.98 0.10 0.64 0.00 2.43 -1.16 0.80 114.38 116.20 2wrl h ARG 36 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2wrl h ARG 36 Cb 0.11 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2wrl h ARG 36 CO 0.00 0.06 -0.31 0.93 -1.51 0.00 0.00 179.97 179.15 2wrl h GLU 37 N 0.10 -0.82 -0.96 0.20 5.08 -0.75 -2.50 114.58 114.92 2wrl h GLU 37 Ca 0.80 0.06 0.25 0.00 -1.00 0.00 0.00 59.36 59.47 2wrl h GLU 37 Cb 2.57 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 31.88 2wrl h GLU 37 CO -0.35 -0.55 0.51 1.15 -1.00 0.00 0.00 179.01 178.77 2wrl h THR 38 N -1.18 0.46 0.59 1.13 2.02 -0.76 -0.76 112.91 114.41 2wrl h THR 38 Ca -0.09 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 2wrl h THR 38 Cb 0.65 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2wrl h THR 38 CO 0.14 0.08 -0.28 -0.07 0.37 0.00 0.00 175.52 175.76 2wrl h LEU 39 N 0.45 -0.67 -0.68 2.58 3.38 -1.35 -0.62 115.31 118.41 2wrl h LEU 39 Ca 0.63 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.65 2wrl h LEU 39 Cb 1.26 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 42.10 2wrl h LEU 39 CO -0.53 -0.39 -0.37 0.49 0.09 0.00 0.00 178.44 177.73 2wrl n PHE 40 N -5.38 -0.22 -0.21 1.13 0.99 -0.31 0.93 117.46 114.39 2wrl n PHE 40 Ca -0.12 0.85 -0.07 0.00 -0.00 0.00 0.00 57.45 58.11 2wrl n PHE 40 Cb 0.34 -0.60 0.03 0.00 -1.00 0.00 0.00 39.48 38.25 2wrl n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wrl h ALA 41 N 0.49 0.75 -0.22 4.37 0.00 -1.41 -2.98 119.26 120.26 2wrl h ALA 41 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wrl h ALA 41 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2wrl h ALA 41 CO -0.65 0.29 0.11 0.00 0.00 0.00 0.00 179.25 178.99 2wrl h ALA 42 N 1.13 0.28 -0.09 0.00 0.00 0.22 -2.22 119.26 118.58 2wrl h ALA 42 Ca 0.20 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2wrl h ALA 42 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wrl h ALA 42 CO -0.03 -0.17 0.10 0.78 0.00 0.00 0.00 179.25 179.94 2wrl h GLY 43 N 0.22 0.00 1.01 0.00 0.00 0.65 -2.54 103.07 102.42 2wrl h GLY 43 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.08 2wrl h GLY 43 CO -0.01 0.00 -1.50 3.43 0.00 0.00 0.00 176.54 178.46 2wrl h ASN 44 N 0.00 0.69 -0.77 0.19 2.35 -1.30 -3.28 115.58 113.46 2wrl h ASN 44 Ca 0.04 -0.93 0.11 0.00 -0.55 0.00 0.00 56.30 54.98 2wrl h ASN 44 Cb 0.24 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.31 2wrl h ASN 44 CO -0.00 1.70 0.39 1.88 -1.65 0.00 0.00 177.43 179.75 2wrl h TYR 45 N 0.04 0.70 0.00 1.19 0.99 -0.99 -2.47 116.97 116.42 2wrl h TYR 45 Ca -0.28 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.48 2wrl h TYR 45 Cb 2.06 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 39.59 2wrl h TYR 45 CO 0.13 0.22 0.00 0.00 -0.00 0.00 0.00 178.16 178.51 2wrl n ALA 46 N -2.42 -0.19 -0.32 3.88 0.00 -1.10 0.17 120.51 120.54 2wrl n ALA 46 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.64 2wrl n ALA 46 Cb 0.33 0.22 0.15 0.00 0.00 0.00 0.00 19.45 20.15 2wrl n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wrl n TYR 47 N -2.06 0.37 0.07 0.00 9.36 -1.06 0.10 117.16 123.96 2wrl n TYR 47 Ca 0.00 1.08 -0.08 0.00 3.32 0.00 0.00 57.90 62.22 2wrl n TYR 47 Cb 0.00 -1.05 0.05 0.00 -0.63 0.00 0.00 39.34 37.72 2wrl n TYR 47 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wrl h ALA 48 N 1.77 0.67 0.00 2.98 0.00 -0.99 -3.06 119.26 120.63 2wrl h ALA 48 Ca 0.45 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wrl h ALA 48 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wrl h ALA 48 CO -0.89 0.79 0.00 0.45 0.00 0.00 0.00 179.25 179.59 2wrl h HIS 49 N 0.20 0.00 0.00 0.00 3.86 0.88 -1.38 115.15 118.71 2wrl h HIS 49 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2wrl h HIS 49 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 2wrl h HIS 49 CO 0.03 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.36 2wrl n ARG 50 N -2.82 0.00 -0.28 2.45 1.74 0.78 -1.52 116.66 117.01 2wrl n ARG 50 Ca 0.02 0.44 0.33 0.00 -0.77 0.00 0.00 57.85 57.87 2wrl n ARG 50 Cb 0.36 -1.07 0.62 0.00 -1.02 0.00 0.00 32.46 31.34 2wrl n ARG 50 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wrl h LYS 51 N 0.00 0.00 0.00 5.56 1.79 -1.61 0.33 116.57 122.64 2wrl h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wrl h LYS 51 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2wrl h LYS 51 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.91 2wrl n ARG 52 N -3.59 0.00 -0.13 3.15 5.12 -0.52 -3.66 116.66 117.03 2wrl n ARG 52 Ca 0.25 0.31 -0.03 0.00 -1.93 0.00 0.00 57.85 56.45 2wrl n ARG 52 Cb 1.43 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 31.42 2wrl n ARG 52 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2wrl n ARG 53 N -1.43 -0.13 -0.23 5.56 0.63 0.12 0.25 116.66 121.42 2wrl n ARG 53 Ca 0.00 0.52 0.06 0.00 -0.92 0.00 0.00 57.85 57.51 2wrl n ARG 53 Cb 0.00 -0.77 0.13 0.00 0.45 0.00 0.00 32.46 32.27 2wrl n ARG 53 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wrl n LYS 54 N -4.09 -0.06 -0.15 -0.14 5.02 -1.13 0.28 118.16 117.88 2wrl n LYS 54 Ca 0.01 1.00 0.11 0.00 -2.02 0.00 0.00 58.31 57.41 2wrl n LYS 54 Cb 0.08 -1.54 0.28 0.00 -0.02 0.00 0.00 35.03 33.83 2wrl n LYS 54 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wrl n ARG 55 N -4.98 2.15 -0.08 1.97 1.85 0.14 -2.51 116.66 115.19 2wrl n ARG 55 Ca 0.12 -1.74 -0.16 0.00 -1.00 0.00 0.00 57.85 55.08 2wrl n ARG 55 Cb 0.40 -1.45 -0.13 0.00 -1.05 0.00 0.00 32.46 30.23 2wrl n ARG 55 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2wrl h ASP 56 N 3.34 0.01 0.52 2.89 3.32 0.43 -3.27 116.42 123.67 2wrl h ASP 56 Ca 0.00 -0.87 -0.17 0.00 0.02 0.00 0.00 57.03 56.01 2wrl h ASP 56 Cb 0.74 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2wrl h ASP 56 CO 0.00 1.14 -0.75 -0.26 -1.72 0.00 0.00 179.24 177.65 2wrl h PHE 57 N -0.98 0.25 -1.14 4.55 -1.00 -1.50 -2.01 116.94 115.11 2wrl h PHE 57 Ca -0.09 -0.12 0.33 0.00 2.81 0.00 0.00 57.97 60.90 2wrl h PHE 57 Cb 1.10 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.58 2wrl h PHE 57 CO 0.23 0.86 0.97 0.00 -1.61 0.00 0.00 178.31 178.76 2wrl h ARG 58 N 0.12 0.00 0.00 1.51 3.08 -1.57 -1.91 114.38 115.60 2wrl h ARG 58 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wrl h ARG 58 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2wrl h ARG 58 CO 0.11 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 179.00 2wrl h ARG 59 N 0.00 0.00 -0.95 0.04 3.08 -1.41 -3.31 114.38 111.82 2wrl h ARG 59 Ca 0.54 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.75 2wrl h ARG 59 Cb 2.48 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 32.37 2wrl h ARG 59 CO -0.01 0.00 -0.33 -0.07 -1.07 0.00 0.00 179.97 178.49 2wrl h LEU 60 N -0.20 -1.23 -1.39 3.04 3.38 -1.33 2.23 115.31 119.82 2wrl h LEU 60 Ca 0.00 0.30 0.27 0.00 0.09 0.00 0.00 57.88 58.54 2wrl h LEU 60 Cb 0.02 0.69 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 2wrl h LEU 60 CO 0.00 -0.30 0.68 -0.50 0.09 0.00 0.00 178.44 178.41 2wrl h TRP 61 N -0.01 0.63 0.10 1.13 6.55 -1.56 -2.11 115.95 120.66 2wrl h TRP 61 Ca 0.38 0.02 -0.15 0.00 0.95 0.00 0.00 58.89 60.09 2wrl h TRP 61 Cb 0.63 -0.18 0.02 0.00 -0.86 0.00 0.00 29.16 28.77 2wrl h TRP 61 CO -0.81 0.05 -0.64 0.82 -1.05 0.00 0.00 178.44 176.81 2wrl h ILE 62 N 0.37 1.55 -1.00 1.49 2.04 0.35 -2.49 117.51 119.83 2wrl h ILE 62 Ca 0.60 -2.43 0.12 0.00 1.00 0.00 0.00 64.86 64.16 2wrl h ILE 62 Cb 1.56 3.14 -0.09 0.00 -0.74 0.00 0.00 36.82 40.70 2wrl h ILE 62 CO -0.29 0.68 0.62 0.58 0.00 0.00 0.00 178.15 179.74 2wrl h VAL 63 N -0.44 0.90 0.44 1.67 2.07 -0.36 -0.27 116.25 120.26 2wrl h VAL 63 Ca -0.11 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2wrl h VAL 63 Cb 1.48 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2wrl h VAL 63 CO 0.12 0.18 -0.21 0.03 0.02 0.00 0.00 177.57 177.71 2wrl h ARG 64 N 0.97 -0.57 -0.96 1.57 3.08 -1.51 0.71 114.38 117.68 2wrl h ARG 64 Ca 0.50 0.04 0.21 0.00 0.07 0.00 0.00 59.98 60.80 2wrl h ARG 64 Cb 0.52 0.13 -0.18 0.00 0.08 0.00 0.00 29.97 30.51 2wrl h ARG 64 CO -0.27 -0.38 -0.17 0.82 -1.07 0.00 0.00 179.97 178.89 2wrl h ILE 65 N -1.11 0.05 0.00 2.04 2.04 -1.27 0.63 117.51 119.89 2wrl h ILE 65 Ca -0.06 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2wrl h ILE 65 Cb 0.45 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2wrl h ILE 65 CO 0.10 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 175.05 2wrl n ASN 66 N -5.57 0.00 -0.40 1.72 4.05 -0.13 -1.37 115.26 113.56 2wrl n ASN 66 Ca 0.17 0.48 0.31 0.00 0.45 0.00 0.00 54.58 55.99 2wrl n ASN 66 Cb 0.54 0.00 0.49 0.00 1.23 0.00 0.00 39.78 42.04 2wrl n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wrl n ALA 67 N -0.56 1.09 -0.01 5.20 0.00 0.24 0.03 120.51 126.51 2wrl n ALA 67 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 53.44 53.88 2wrl n ALA 67 Cb 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 2wrl n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl h ALA 68 N 0.73 -0.10 0.00 0.00 0.00 0.33 -3.21 119.26 117.01 2wrl h ALA 68 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2wrl h ALA 68 Cb 2.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2wrl h ALA 68 CO -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.07 2wrl h ARG 70 N 0.00 0.00 0.00 0.00 2.43 -0.11 -1.25 114.38 115.45 2wrl h ARG 70 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wrl h ARG 70 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2wrl h ARG 70 CO 0.00 0.00 0.00 0.37 -1.51 0.00 0.00 179.97 178.83 2wrl h GLN 71 N 0.00 0.00 -0.46 0.20 4.15 -0.47 -3.16 115.11 115.37 2wrl h GLN 71 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wrl h GLN 71 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2wrl h GLN 71 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.62 2wrl n HIS 72 N -2.85 1.58 0.00 3.99 8.25 -0.48 -4.99 115.22 120.72 2wrl n HIS 72 Ca 0.04 -0.77 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 2wrl n HIS 72 Cb 0.50 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2wrl n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrl n GLY 73 N 0.26 2.77 3.92 -1.41 0.00 -1.19 -5.05 105.19 104.49 2wrl n GLY 73 Ca 0.25 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2wrl n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wrl s LEU 74 N 0.00 2.74 0.39 0.99 0.05 -1.21 -4.89 118.68 116.75 2wrl s LEU 74 Ca 0.00 0.50 0.08 0.00 0.05 0.00 0.00 54.13 54.76 2wrl s LEU 74 Cb 0.00 -3.08 -0.02 0.00 -2.05 0.00 0.00 46.19 41.04 2wrl s LEU 74 CO 0.00 -1.73 0.37 0.54 -0.55 0.00 0.00 176.35 174.98 2wrl s ASN 75 N -4.55 5.22 0.10 1.48 4.22 -1.26 -2.55 114.94 117.60 2wrl s ASN 75 Ca 0.61 -0.61 -0.33 0.00 -2.14 0.00 0.00 52.86 50.40 2wrl s ASN 75 Cb -0.10 -0.74 -0.13 0.00 1.28 0.00 0.00 41.25 41.55 2wrl s ASN 75 CO 0.46 -0.55 1.58 0.22 -2.04 0.00 0.00 177.10 176.78 2wrl h TYR 76 N 1.07 -1.23 -0.49 1.54 -0.00 -1.90 -0.77 116.97 115.19 2wrl h TYR 76 Ca -0.43 0.02 0.07 0.00 -0.00 0.00 0.00 58.73 58.39 2wrl h TYR 76 Cb 1.26 0.50 -0.09 0.00 -0.00 0.00 0.00 36.73 38.40 2wrl h TYR 76 CO 0.51 -0.56 -0.50 0.66 -0.00 0.00 0.00 178.16 178.27 2wrl h SER 77 N -0.77 -1.68 0.18 -2.11 4.64 -2.00 -1.09 113.55 110.71 2wrl h SER 77 Ca -0.01 0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2wrl h SER 77 Cb 0.74 0.72 -0.04 0.00 -0.31 0.00 0.00 62.40 63.51 2wrl h SER 77 CO -0.16 -0.37 -0.53 0.74 -0.87 0.00 0.00 176.83 175.64 2wrl h THR 78 N -0.31 0.00 -0.57 2.95 2.02 -1.96 -2.46 112.91 112.59 2wrl h THR 78 Ca 0.12 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2wrl h THR 78 Cb 0.58 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 2wrl h THR 78 CO -0.64 0.00 -0.33 0.33 0.37 0.00 0.00 175.52 175.25 2wrl n PHE 79 N -5.48 -0.25 0.26 3.16 -0.00 -0.31 0.68 117.46 115.52 2wrl n PHE 79 Ca -0.09 0.71 0.11 0.00 -0.00 0.00 0.00 57.45 58.17 2wrl n PHE 79 Cb 0.42 -0.53 0.68 0.00 -0.00 0.00 0.00 39.48 40.05 2wrl n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2wrl h ILE 80 N 0.00 0.76 -0.04 -2.13 1.08 -0.79 -1.58 117.51 114.80 2wrl h ILE 80 Ca 0.09 -0.46 -0.07 0.00 -0.39 0.00 0.00 64.86 64.03 2wrl h ILE 80 Cb 0.23 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 2wrl h ILE 80 CO -0.53 0.11 -0.32 -0.74 -0.69 0.00 0.00 178.15 175.98 2wrl h HIS 81 N 0.00 0.09 0.00 1.37 2.76 0.60 -1.39 115.15 118.57 2wrl h HIS 81 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2wrl h HIS 81 Cb 0.26 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2wrl h HIS 81 CO 0.00 0.39 0.00 0.41 -1.30 0.00 0.00 177.93 177.43 2wrl n GLY 82 N -0.54 -1.32 0.41 5.26 0.00 -0.61 0.67 105.19 109.06 2wrl n GLY 82 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2wrl n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wrl h LEU 83 N 0.00 0.00 0.00 0.99 4.07 -1.57 0.81 115.31 119.61 2wrl h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wrl h LEU 83 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2wrl h LEU 83 CO 0.00 0.00 -0.24 0.50 -1.08 0.00 0.00 178.44 177.62 2wrl h LYS 84 N 0.00 0.00 -0.92 1.13 1.63 -1.19 -2.76 116.57 114.46 2wrl h LYS 84 Ca 0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2wrl h LYS 84 Cb 2.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.79 2wrl h LYS 84 CO -0.00 0.00 0.00 1.17 -3.45 0.00 0.00 179.45 177.17 2wrl n LYS 85 N -4.45 0.80 -0.05 1.90 4.81 0.21 -1.77 118.16 119.62 2wrl n LYS 85 Ca -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.35 2wrl n LYS 85 Cb 0.12 -1.31 -0.07 0.00 0.02 0.00 0.00 35.03 33.79 2wrl n LYS 85 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wrl n ALA 86 N 0.25 1.75 -0.03 3.14 0.00 0.23 -4.96 120.51 120.90 2wrl n ALA 86 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2wrl n ALA 86 Cb 0.26 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2wrl n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 87 N 2.49 0.49 2.54 0.00 0.00 -0.73 -4.99 105.19 105.00 2wrl n GLY 87 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2wrl n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wrl n ILE 88 N -2.00 5.28 -1.61 -0.61 -5.35 -1.04 -4.86 119.36 109.18 2wrl n ILE 88 Ca 0.00 -4.70 -0.40 0.00 -0.27 0.00 0.00 62.75 57.38 2wrl n ILE 88 Cb 0.00 -1.85 -0.04 0.00 -1.74 0.00 0.00 39.64 36.01 2wrl n ILE 88 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2wrl n GLU 89 N 1.04 1.99 0.00 6.28 2.13 -1.25 -4.43 120.64 126.39 2wrl n GLU 89 Ca 0.57 -2.28 0.00 0.00 0.66 0.00 0.00 57.16 56.10 2wrl n GLU 89 Cb 0.28 -3.22 0.00 0.00 0.27 0.00 0.00 31.44 28.77 2wrl n GLU 89 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wrl n VAL 90 N 6.21 0.00 0.00 6.31 0.31 -1.26 -4.90 118.33 125.00 2wrl n VAL 90 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 2wrl n VAL 90 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 2wrl n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wrl n ASP 91 N 0.00 0.00 -2.68 4.52 -0.08 -1.26 -4.71 116.55 112.33 2wrl n ASP 91 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2wrl n ASP 91 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 2wrl n ASP 91 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2wrl n ARG 92 N 0.00 -3.60 0.00 -0.67 0.00 -1.26 -3.11 116.66 108.02 2wrl n ARG 92 Ca 0.00 2.85 0.00 0.00 -0.00 0.00 0.00 57.85 60.70 2wrl n ARG 92 Cb 0.00 -5.30 0.00 0.00 0.00 0.00 0.00 32.46 27.16 2wrl n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wrl n LYS 93 N 0.81 0.00 0.12 -0.14 4.01 -1.26 0.21 118.16 121.90 2wrl n LYS 93 Ca -0.05 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.66 2wrl n LYS 93 Cb 0.08 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.54 2wrl n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2wrl h ASN 94 N 0.00 -0.77 0.00 4.39 -1.24 -1.92 -1.90 115.58 114.15 2wrl h ASN 94 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2wrl h ASN 94 Cb 0.00 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2wrl h ASN 94 CO 0.00 -0.33 0.00 0.18 -1.29 0.00 0.00 177.43 175.99 2wrl n LEU 95 N -3.99 0.50 -0.80 0.34 4.77 0.13 -2.96 117.00 114.99 2wrl n LEU 95 Ca -0.06 -0.25 0.05 0.00 -0.03 0.00 0.00 56.01 55.72 2wrl n LEU 95 Cb 0.23 -0.25 0.17 0.00 -2.33 0.00 0.00 43.42 41.24 2wrl n LEU 95 CO 0.12 0.13 0.61 0.00 -1.33 0.00 0.00 177.39 176.91 2wrl n ALA 96 N -0.08 2.65 1.20 -1.18 0.00 -0.71 -3.65 120.51 118.74 2wrl n ALA 96 Ca 0.00 -0.71 0.07 0.00 0.00 0.00 0.00 53.44 52.81 2wrl n ALA 96 Cb 0.13 -1.00 0.44 0.00 0.00 0.00 0.00 19.45 19.02 2wrl n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wrl n ASP 97 N 0.47 0.00 -0.29 0.00 5.75 -1.16 -3.24 116.55 118.09 2wrl n ASP 97 Ca 0.12 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 2wrl n ASP 97 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2wrl n ASP 97 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wrl n LEU 98 N -0.89 0.33 -0.08 -2.12 4.77 -1.24 -1.42 117.00 116.35 2wrl n LEU 98 Ca 0.11 -0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 55.85 2wrl n LEU 98 Cb 0.05 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 2wrl n LEU 98 CO 0.08 0.08 -1.01 0.00 -1.33 0.00 0.00 177.39 175.22 2wrl n ALA 99 N -0.09 1.62 -0.02 -1.18 0.00 -1.20 -3.67 120.51 115.97 2wrl n ALA 99 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.31 2wrl n ALA 99 Cb 0.08 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 2wrl n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrl n VAL 100 N -2.61 1.66 -4.45 0.00 0.31 -0.72 -4.55 118.33 107.97 2wrl n VAL 100 Ca -0.26 -0.74 -0.33 0.00 -0.01 0.00 0.00 64.34 63.00 2wrl n VAL 100 Cb 0.98 -1.27 -0.15 0.00 -0.91 0.00 0.00 33.84 32.49 2wrl n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wrl s ARG 101 N -2.58 3.17 -0.57 5.55 0.52 -0.51 -4.77 118.95 119.77 2wrl s ARG 101 Ca -0.12 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2wrl s ARG 101 Cb 0.07 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 2wrl s ARG 101 CO 0.80 -0.03 0.48 0.39 0.02 0.00 0.00 175.30 176.96 2wrl n GLU 102 N 4.19 -2.78 -0.25 3.54 -0.58 -1.26 -3.97 120.64 119.53 2wrl n GLU 102 Ca -0.19 0.42 0.02 0.00 -0.42 0.00 0.00 57.16 56.99 2wrl n GLU 102 Cb 0.51 -4.03 0.11 0.00 -0.57 0.00 0.00 31.44 27.46 2wrl n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2wrl h PRO 103 N -0.84 0.04 -0.94 3.49 0.13 -1.80 0.19 132.00 132.26 2wrl h PRO 103 Ca -0.29 -0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.07 2wrl h PRO 103 Cb 1.16 -0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 2wrl h PRO 103 CO 0.24 0.03 0.48 1.96 -0.23 0.00 0.00 178.00 180.47 2wrl h GLN 104 N 0.04 0.45 -0.46 0.86 4.20 -1.92 0.48 115.11 118.76 2wrl h GLN 104 Ca 0.37 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.01 2wrl h GLN 104 Cb 0.60 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2wrl h GLN 104 CO -0.70 0.30 0.13 0.28 -0.67 0.00 0.00 178.83 178.17 2wrl h VAL 105 N 0.47 1.23 0.00 -0.54 2.07 -0.94 -0.50 116.25 118.04 2wrl h VAL 105 Ca 0.60 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2wrl h VAL 105 Cb 1.15 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2wrl h VAL 105 CO -0.51 0.28 0.00 0.33 0.02 0.00 0.00 177.57 177.69 2wrl n PHE 106 N -4.52 0.00 -0.50 1.57 7.35 0.15 -1.99 117.46 119.52 2wrl n PHE 106 Ca 0.01 0.00 0.41 0.00 -0.76 0.00 0.00 57.45 57.11 2wrl n PHE 106 Cb 0.20 -0.41 0.71 0.00 0.35 0.00 0.00 39.48 40.33 2wrl n PHE 106 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wrl h ALA 107 N -1.83 3.12 -0.87 3.13 0.00 -0.97 2.60 119.26 124.44 2wrl h ALA 107 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2wrl h ALA 107 Cb 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2wrl h ALA 107 CO 0.00 -1.67 0.55 1.49 0.00 0.00 0.00 179.25 179.62 2wrl h GLU 108 N 0.06 1.00 -0.26 0.00 4.22 -0.44 -1.18 114.58 117.99 2wrl h GLU 108 Ca 0.80 -0.06 -0.14 0.00 0.08 0.00 0.00 59.36 60.04 2wrl h GLU 108 Cb 2.83 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 31.86 2wrl h GLU 108 CO -0.22 0.66 -0.40 -0.07 -2.18 0.00 0.00 179.01 176.81 2wrl h LEU 109 N 1.03 0.80 0.00 1.64 3.38 0.50 -2.87 115.31 119.79 2wrl h LEU 109 Ca 0.37 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2wrl h LEU 109 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2wrl h LEU 109 CO -0.15 1.16 0.00 0.52 0.09 0.00 0.00 178.44 180.06 2wrl n VAL 110 N -4.18 0.00 -0.13 1.22 0.31 -0.51 0.23 118.33 115.27 2wrl n VAL 110 Ca -0.05 1.31 0.28 0.00 -0.01 0.00 0.00 64.34 65.87 2wrl n VAL 110 Cb 0.54 -1.87 0.71 0.00 -0.91 0.00 0.00 33.84 32.30 2wrl n VAL 110 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wrl h GLU 111 N 0.00 0.00 -0.27 5.55 4.39 -1.49 1.18 114.58 123.94 2wrl h GLU 111 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2wrl h GLU 111 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2wrl h GLU 111 CO 0.00 0.00 -0.31 0.00 -1.16 0.00 0.00 179.01 177.54 2wrl h ARG 112 N 0.00 0.57 0.00 2.33 2.47 0.02 -2.74 114.38 117.03 2wrl h ARG 112 Ca 0.39 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2wrl h ARG 112 Cb 1.80 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 30.10 2wrl h ARG 112 CO -0.00 0.81 -0.14 0.00 0.56 0.00 0.00 179.97 181.20 2wrl h ALA 113 N 1.18 0.00 0.00 0.04 0.00 0.50 -3.05 119.26 117.94 2wrl h ALA 113 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wrl h ALA 113 Cb 0.78 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wrl h ALA 113 CO 0.06 0.13 0.00 0.36 0.00 0.00 0.00 179.25 179.81 2wrl n LYS 114 N -4.73 0.06 -0.11 0.00 2.85 -0.09 0.53 118.16 116.68 2wrl n LYS 114 Ca -0.02 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.04 2wrl n LYS 114 Cb 0.08 -1.00 -0.08 0.00 -0.65 0.00 0.00 35.03 33.38 2wrl n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wrl n ALA 115 N -0.44 1.59 0.39 0.58 0.00 -1.03 -1.42 120.51 120.18 2wrl n ALA 115 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 53.44 52.63 2wrl n ALA 115 Cb 0.00 0.16 0.22 0.00 0.00 0.00 0.00 19.45 19.83 2wrl n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl n ALA 116 N -3.66 1.53 -2.28 0.00 0.00 0.19 -0.84 120.51 115.44 2wrl n ALA 116 Ca -0.40 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.04 2wrl n ALA 116 Cb 0.83 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 19.17 2wrl n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wrl n GLN 117 N -1.38 0.18 0.00 0.00 1.13 -0.34 -5.00 117.38 111.97 2wrl n GLN 117 Ca 0.03 -1.95 0.16 0.00 -1.94 0.00 0.00 57.00 53.30 2wrl n GLN 117 Cb 0.09 -0.29 0.90 0.00 0.11 0.00 0.00 30.24 31.05 2wrl n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03