#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj s ARG 3 N 0.00 2.60 -1.33 0.54 3.52 -1.26 -5.02 118.95 118.00 2wrj s ARG 3 Ca 0.00 -1.23 -0.11 0.00 -0.13 0.00 0.00 55.73 54.26 2wrj s ARG 3 Cb 0.00 -3.50 0.13 0.00 -1.56 0.00 0.00 34.95 30.02 2wrj s ARG 3 CO 0.00 -0.71 1.95 0.00 -0.81 0.00 0.00 175.30 175.73 2wrj n ALA 4 N 4.82 5.33 -0.78 6.12 0.00 -1.26 -5.01 120.51 129.73 2wrj n ALA 4 Ca -0.12 -4.19 -0.33 0.00 0.00 0.00 0.00 53.44 48.81 2wrj n ALA 4 Cb 0.44 -3.15 0.13 0.00 0.00 0.00 0.00 19.45 16.87 2wrj n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wrj n LYS 5 N 4.62 -0.33 -0.30 0.00 2.85 -1.26 -4.84 118.16 118.90 2wrj n LYS 5 Ca 0.43 -0.05 0.09 0.00 -1.05 0.00 0.00 58.31 57.72 2wrj n LYS 5 Cb 0.37 -1.92 0.25 0.00 -0.65 0.00 0.00 35.03 33.08 2wrj n LYS 5 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2wrj h THR 6 N -1.61 0.67 0.00 0.58 2.02 -2.04 -3.45 112.91 109.07 2wrj h THR 6 Ca -0.44 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2wrj h THR 6 Cb 1.28 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2wrj h THR 6 CO 0.35 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.96 2wrj n GLY 7 N -1.33 3.28 0.03 2.16 0.00 -1.26 -2.91 105.19 105.16 2wrj n GLY 7 Ca 0.18 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2wrj n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wrj n VAL 8 N 0.00 0.26 -0.24 1.61 3.14 -1.26 -4.60 118.33 117.24 2wrj n VAL 8 Ca 0.00 -0.50 0.14 0.00 -2.96 0.00 0.00 64.34 61.01 2wrj n VAL 8 Cb 0.00 -0.06 0.26 0.00 -1.06 0.00 0.00 33.84 32.98 2wrj n VAL 8 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2wrj n VAL 9 N -2.27 -0.29 0.08 1.55 0.31 -1.15 -2.28 118.33 114.29 2wrj n VAL 9 Ca -0.09 1.51 -0.04 0.00 -0.01 0.00 0.00 64.34 65.71 2wrj n VAL 9 Cb 0.62 -2.26 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 2wrj n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wrj h ARG 10 N 0.00 -0.25 -0.37 5.55 2.43 -1.81 -3.25 114.38 116.68 2wrj h ARG 10 Ca 0.47 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.76 2wrj h ARG 10 Cb 1.05 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2wrj h ARG 10 CO -0.63 -0.17 1.03 -0.09 -1.51 0.00 0.00 179.97 178.61 2wrj h ARG 11 N -0.68 0.00 0.01 0.20 2.43 -1.76 -1.08 114.38 113.50 2wrj h ARG 11 Ca -0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2wrj h ARG 11 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2wrj h ARG 11 CO 0.04 0.00 -0.01 0.00 -1.51 0.00 0.00 179.97 178.50 2wrj h ARG 12 N 0.00 -0.02 -0.61 0.20 3.08 -1.60 -3.20 114.38 112.23 2wrj h ARG 12 Ca 0.17 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.44 2wrj h ARG 12 Cb 2.24 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 32.18 2wrj h ARG 12 CO -0.00 -0.01 0.18 1.63 -1.07 0.00 0.00 179.97 180.70 2wrj n LYS 13 N -2.33 -0.04 -0.04 0.04 4.76 -0.42 -0.08 118.16 120.05 2wrj n LYS 13 Ca -0.00 0.87 -0.13 0.00 -2.87 0.00 0.00 58.31 56.18 2wrj n LYS 13 Cb 0.01 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 31.65 2wrj n LYS 13 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wrj h HIS 14 N 0.00 0.29 0.00 2.13 3.86 -1.65 -2.67 115.15 117.10 2wrj h HIS 14 Ca 0.45 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2wrj h HIS 14 Cb 1.09 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.49 2wrj h HIS 14 CO -0.15 0.59 0.00 1.57 0.86 0.00 0.00 177.93 180.81 2wrj h LYS 15 N -0.09 0.00 0.00 2.45 2.10 -0.48 -0.04 116.57 120.50 2wrj h LYS 15 Ca 0.03 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 2wrj h LYS 15 Cb 0.51 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2wrj h LYS 15 CO 0.02 0.00 -0.14 0.87 -2.00 0.00 0.00 179.45 178.20 2wrj h LYS 16 N 0.00 0.00 0.00 0.07 1.57 -0.78 -2.05 116.57 115.38 2wrj h LYS 16 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2wrj h LYS 16 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2wrj h LYS 16 CO 0.00 0.14 -1.17 -0.89 -0.57 0.00 0.00 179.45 176.95 2wrj n ILE 17 N -3.51 1.50 -0.02 1.86 5.41 -0.31 -4.10 119.36 120.20 2wrj n ILE 17 Ca -0.01 0.02 0.22 0.00 1.00 0.00 0.00 62.75 63.97 2wrj n ILE 17 Cb 0.29 -2.15 0.54 0.00 -0.71 0.00 0.00 39.64 37.61 2wrj n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wrj h LEU 18 N -1.00 0.00 0.12 1.39 3.38 -1.03 0.70 115.31 118.88 2wrj h LEU 18 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2wrj h LEU 18 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2wrj h LEU 18 CO -0.16 0.00 -0.09 0.50 0.09 0.00 0.00 178.44 178.78 2wrj h LYS 19 N 0.00 -0.19 0.00 1.13 3.64 -1.52 -2.46 116.57 117.17 2wrj h LYS 19 Ca 0.31 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2wrj h LYS 19 Cb 2.01 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 2wrj h LYS 19 CO -0.00 -0.13 0.21 1.28 -2.27 0.00 0.00 179.45 178.54 2wrj n LEU 20 N -2.76 0.36 0.09 5.20 7.99 0.22 -1.31 117.00 126.79 2wrj n LEU 20 Ca -0.02 0.59 0.00 0.00 -0.01 0.00 0.00 56.01 56.56 2wrj n LEU 20 Cb 0.09 -0.57 -0.03 0.00 -0.11 0.00 0.00 43.42 42.79 2wrj n LEU 20 CO 0.05 -0.71 0.15 0.00 -1.51 0.00 0.00 177.39 175.38 2wrj h ALA 21 N 1.41 0.63 -0.92 -1.18 0.00 -1.27 -3.48 119.26 114.45 2wrj h ALA 21 Ca 0.00 -0.67 -0.65 0.00 0.00 0.00 0.00 54.91 53.59 2wrj h ALA 21 Cb 0.42 0.04 0.09 0.00 0.00 0.00 0.00 17.79 18.34 2wrj h ALA 21 CO 0.00 0.83 -0.34 1.63 0.00 0.00 0.00 179.25 181.37 2wrj n LYS 22 N -3.13 0.00 0.00 0.00 4.76 -0.43 -0.90 118.16 118.46 2wrj n LYS 22 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2wrj n LYS 22 Cb 0.81 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 2wrj n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrj n GLY 23 N 1.72 1.91 3.85 0.72 0.00 -1.26 -5.05 105.19 107.09 2wrj n GLY 23 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2wrj n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wrj s TYR 24 N -2.36 3.23 0.12 1.61 4.12 -0.08 -5.05 117.35 118.95 2wrj s TYR 24 Ca 0.00 1.16 -0.20 0.00 0.02 0.00 0.00 57.07 58.06 2wrj s TYR 24 Cb 0.00 -3.00 -0.07 0.00 -1.52 0.00 0.00 41.96 37.37 2wrj s TYR 24 CO 0.00 -1.25 0.63 -0.46 0.02 0.00 0.00 175.55 174.49 2wrj s TRP 25 N -3.24 3.78 0.00 2.71 -0.11 -1.26 -4.48 118.94 116.34 2wrj s TRP 25 Ca 0.58 1.34 0.00 0.00 1.22 0.00 0.00 56.10 59.24 2wrj s TRP 25 Cb -0.12 -2.55 0.00 0.00 -1.50 0.00 0.00 33.47 29.29 2wrj s TRP 25 CO 0.53 0.52 0.00 0.41 -4.62 0.00 0.00 176.95 173.79 2wrj n GLY 26 N 1.43 0.46 0.00 5.86 0.00 -1.26 -2.07 105.19 109.60 2wrj n GLY 26 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2wrj n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrj n LEU 27 N 0.00 0.00 0.17 0.99 4.77 -1.26 0.14 117.00 121.81 2wrj n LEU 27 Ca 0.00 0.12 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 2wrj n LEU 27 Cb 0.00 -0.12 0.59 0.00 -2.33 0.00 0.00 43.42 41.56 2wrj n LEU 27 CO 0.00 -0.12 0.88 0.03 -1.33 0.00 0.00 177.39 176.85 2wrj h ARG 28 N 0.00 0.00 0.00 3.23 3.08 -1.66 -0.72 114.38 118.31 2wrj h ARG 28 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2wrj h ARG 28 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2wrj h ARG 28 CO 0.00 0.00 -1.51 -1.13 -1.07 0.00 0.00 179.97 176.26 2wrj n SER 29 N -2.38 2.90 -1.23 7.04 3.41 0.37 -4.11 113.62 119.62 2wrj n SER 29 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2wrj n SER 29 Cb 0.16 1.03 0.18 0.00 -0.26 0.00 0.00 64.21 65.33 2wrj n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wrj n LYS 30 N -2.09 2.00 -3.54 4.33 4.76 -1.03 -4.79 118.16 117.80 2wrj n LYS 30 Ca -0.08 -3.31 -0.20 0.00 -2.87 0.00 0.00 58.31 51.85 2wrj n LYS 30 Cb 0.53 -1.86 -0.14 0.00 -1.84 0.00 0.00 35.03 31.72 2wrj n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wrj s SER 31 N -2.70 1.53 0.45 4.39 0.15 -0.30 -4.91 113.70 112.30 2wrj s SER 31 Ca 0.45 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2wrj s SER 31 Cb 0.41 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2wrj s SER 31 CO -0.01 -0.32 0.80 2.22 1.20 0.00 0.00 173.24 177.13 2wrj n PHE 32 N 5.31 0.00 0.00 3.44 -1.74 -1.26 0.54 117.46 123.75 2wrj n PHE 32 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 2wrj n PHE 32 Cb 0.49 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.49 2wrj n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2wrj n ARG 33 N -1.96 0.00 0.30 3.97 1.85 -1.26 -3.91 116.66 115.64 2wrj n ARG 33 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.99 2wrj n ARG 33 Cb 0.80 -0.56 0.77 0.00 -1.05 0.00 0.00 32.46 32.42 2wrj n ARG 33 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2wrj h LYS 34 N 0.00 0.00 0.00 2.89 1.79 -1.58 0.16 116.57 119.83 2wrj h LYS 34 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wrj h LYS 34 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2wrj h LYS 34 CO 0.00 0.00 -0.13 0.00 -1.08 0.00 0.00 179.45 178.24 2wrj h ALA 35 N 1.41 0.00 -1.32 3.86 0.00 -0.06 -3.07 119.26 120.08 2wrj h ALA 35 Ca 0.00 -0.13 0.44 0.00 0.00 0.00 0.00 54.91 55.21 2wrj h ALA 35 Cb 0.56 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 2wrj h ALA 35 CO 0.00 0.13 0.85 -0.09 0.00 0.00 0.00 179.25 180.14 2wrj h ARG 36 N -0.95 0.08 0.64 0.00 2.43 -1.15 0.95 114.38 116.38 2wrj h ARG 36 Ca 0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2wrj h ARG 36 Cb 0.13 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2wrj h ARG 36 CO 0.00 0.05 -0.31 0.93 -1.51 0.00 0.00 179.97 179.13 2wrj h GLU 37 N 0.08 -0.83 -0.98 0.20 5.08 -0.89 -2.44 114.58 114.81 2wrj h GLU 37 Ca 0.82 0.06 0.27 0.00 -1.00 0.00 0.00 59.36 59.51 2wrj h GLU 37 Cb 2.58 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 31.88 2wrj h GLU 37 CO -0.43 -0.55 0.53 1.15 -1.00 0.00 0.00 179.01 178.71 2wrj h THR 38 N -1.14 0.43 0.73 1.13 2.02 -0.74 -0.70 112.91 114.65 2wrj h THR 38 Ca -0.09 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 2wrj h THR 38 Cb 0.66 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2wrj h THR 38 CO 0.14 0.08 -0.35 -0.07 0.37 0.00 0.00 175.52 175.69 2wrj h LEU 39 N 0.44 -0.84 -0.65 2.58 3.38 -1.36 0.09 115.31 118.96 2wrj h LEU 39 Ca 0.65 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.69 2wrj h LEU 39 Cb 1.34 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 42.22 2wrj h LEU 39 CO -0.54 -0.53 -0.38 0.49 0.09 0.00 0.00 178.44 177.58 2wrj n PHE 40 N -5.47 -0.27 -0.25 1.13 0.99 -0.29 0.14 117.46 113.42 2wrj n PHE 40 Ca -0.14 0.81 -0.05 0.00 -0.00 0.00 0.00 57.45 58.07 2wrj n PHE 40 Cb 0.40 -0.56 0.05 0.00 -1.00 0.00 0.00 39.48 38.38 2wrj n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wrj h ALA 41 N 0.35 0.90 -0.20 4.37 0.00 -1.38 -2.89 119.26 120.40 2wrj h ALA 41 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wrj h ALA 41 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wrj h ALA 41 CO -0.61 0.37 0.09 0.00 0.00 0.00 0.00 179.25 179.11 2wrj h ALA 42 N 1.22 0.26 -0.09 0.00 0.00 0.33 -2.33 119.26 118.64 2wrj h ALA 42 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2wrj h ALA 42 Cb -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wrj h ALA 42 CO -0.05 -0.16 0.11 0.78 0.00 0.00 0.00 179.25 179.93 2wrj h GLY 43 N 0.19 0.00 1.08 0.00 0.00 0.10 -2.53 103.07 101.91 2wrj h GLY 43 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.05 2wrj h GLY 43 CO -0.01 0.00 -1.63 3.43 0.00 0.00 0.00 176.54 178.33 2wrj h ASN 44 N 0.00 0.73 -0.69 0.19 2.35 -1.26 -3.30 115.58 113.60 2wrj h ASN 44 Ca 0.04 -0.93 0.09 0.00 -0.55 0.00 0.00 56.30 54.96 2wrj h ASN 44 Cb 0.26 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.32 2wrj h ASN 44 CO -0.00 1.76 0.33 1.88 -1.65 0.00 0.00 177.43 179.75 2wrj h TYR 45 N 0.13 0.60 0.00 1.19 0.99 -1.00 -2.39 116.97 116.48 2wrj h TYR 45 Ca -0.31 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.45 2wrj h TYR 45 Cb 2.14 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 39.70 2wrj h TYR 45 CO 0.12 0.21 0.00 0.00 -0.00 0.00 0.00 178.16 178.48 2wrj n ALA 46 N -2.42 -0.16 -0.32 3.88 0.00 -1.10 0.16 120.51 120.56 2wrj n ALA 46 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.63 2wrj n ALA 46 Cb 0.27 0.23 0.18 0.00 0.00 0.00 0.00 19.45 20.14 2wrj n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wrj n TYR 47 N -2.02 0.42 0.07 0.00 9.36 -1.08 0.12 117.16 124.04 2wrj n TYR 47 Ca 0.00 1.10 -0.07 0.00 3.32 0.00 0.00 57.90 62.24 2wrj n TYR 47 Cb 0.00 -1.08 0.06 0.00 -0.63 0.00 0.00 39.34 37.69 2wrj n TYR 47 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wrj h ALA 48 N 1.81 0.69 0.00 2.98 0.00 -0.93 -3.10 119.26 120.72 2wrj h ALA 48 Ca 0.48 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wrj h ALA 48 Cb 0.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wrj h ALA 48 CO -0.90 0.78 0.00 0.45 0.00 0.00 0.00 179.25 179.58 2wrj h HIS 49 N 0.19 0.00 0.00 0.00 3.86 0.96 -1.47 115.15 118.68 2wrj h HIS 49 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2wrj h HIS 49 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2wrj h HIS 49 CO 0.03 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.36 2wrj n ARG 50 N -2.95 0.00 -0.34 2.45 1.74 0.65 -1.42 116.66 116.80 2wrj n ARG 50 Ca 0.02 0.42 0.36 0.00 -0.77 0.00 0.00 57.85 57.88 2wrj n ARG 50 Cb 0.36 -1.07 0.66 0.00 -1.02 0.00 0.00 32.46 31.38 2wrj n ARG 50 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wrj h LYS 51 N 0.00 0.00 0.00 5.56 1.79 -1.61 0.33 116.57 122.64 2wrj h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wrj h LYS 51 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2wrj h LYS 51 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.91 2wrj n ARG 52 N -3.69 0.00 -0.13 3.15 5.12 -0.56 -3.60 116.66 116.96 2wrj n ARG 52 Ca 0.28 0.33 -0.03 0.00 -1.93 0.00 0.00 57.85 56.49 2wrj n ARG 52 Cb 1.50 -1.31 -0.03 0.00 -1.16 0.00 0.00 32.46 31.45 2wrj n ARG 52 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2wrj n ARG 53 N -1.49 -0.14 -0.24 5.56 0.63 0.11 0.54 116.66 121.64 2wrj n ARG 53 Ca 0.00 0.54 0.08 0.00 -0.92 0.00 0.00 57.85 57.55 2wrj n ARG 53 Cb 0.00 -0.80 0.16 0.00 0.45 0.00 0.00 32.46 32.27 2wrj n ARG 53 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wrj n LYS 54 N -4.10 -0.06 -0.15 -0.14 5.02 -1.11 0.32 118.16 117.94 2wrj n LYS 54 Ca 0.01 1.02 0.11 0.00 -2.02 0.00 0.00 58.31 57.43 2wrj n LYS 54 Cb 0.08 -1.59 0.28 0.00 -0.02 0.00 0.00 35.03 33.78 2wrj n LYS 54 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wrj n ARG 55 N -4.97 2.16 -0.07 1.97 1.85 0.19 -2.53 116.66 115.26 2wrj n ARG 55 Ca 0.14 -1.75 -0.16 0.00 -1.00 0.00 0.00 57.85 55.07 2wrj n ARG 55 Cb 0.45 -1.45 -0.13 0.00 -1.05 0.00 0.00 32.46 30.28 2wrj n ARG 55 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2wrj h ASP 56 N 3.41 0.03 0.54 2.89 3.32 0.54 -3.27 116.42 123.89 2wrj h ASP 56 Ca 0.00 -0.88 -0.17 0.00 0.02 0.00 0.00 57.03 56.00 2wrj h ASP 56 Cb 0.75 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 2wrj h ASP 56 CO 0.00 1.15 -0.74 -0.26 -1.72 0.00 0.00 179.24 177.67 2wrj h PHE 57 N -0.95 0.22 -1.02 4.55 -1.00 -1.50 -1.96 116.94 115.29 2wrj h PHE 57 Ca -0.09 -0.10 0.30 0.00 2.81 0.00 0.00 57.97 60.88 2wrj h PHE 57 Cb 1.12 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.61 2wrj h PHE 57 CO 0.23 0.84 0.93 0.00 -1.61 0.00 0.00 178.31 178.69 2wrj h ARG 58 N 0.10 0.00 0.00 1.51 3.08 -1.57 -1.89 114.38 115.62 2wrj h ARG 58 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wrj h ARG 58 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2wrj h ARG 58 CO 0.11 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 179.00 2wrj h ARG 59 N 0.00 0.00 -0.99 0.04 3.08 -1.40 -3.32 114.38 111.79 2wrj h ARG 59 Ca 0.48 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.71 2wrj h ARG 59 Cb 2.33 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 32.21 2wrj h ARG 59 CO -0.01 0.00 -0.33 -0.07 -1.07 0.00 0.00 179.97 178.50 2wrj h LEU 60 N -0.12 -1.21 -1.40 3.04 3.38 -1.34 2.54 115.31 120.19 2wrj h LEU 60 Ca 0.00 0.30 0.26 0.00 0.09 0.00 0.00 57.88 58.54 2wrj h LEU 60 Cb 0.01 0.69 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 2wrj h LEU 60 CO 0.00 -0.31 0.67 -0.50 0.09 0.00 0.00 178.44 178.39 2wrj h TRP 61 N -0.00 0.62 0.09 1.13 6.55 -1.56 -2.17 115.95 120.62 2wrj h TRP 61 Ca 0.40 0.02 -0.14 0.00 0.95 0.00 0.00 58.89 60.13 2wrj h TRP 61 Cb 0.65 -0.18 0.02 0.00 -0.86 0.00 0.00 29.16 28.79 2wrj h TRP 61 CO -0.82 0.07 -0.59 0.82 -1.05 0.00 0.00 178.44 176.87 2wrj h ILE 62 N 0.38 1.57 -0.94 1.49 2.04 0.42 -2.52 117.51 119.96 2wrj h ILE 62 Ca 0.58 -2.43 0.13 0.00 1.00 0.00 0.00 64.86 64.14 2wrj h ILE 62 Cb 1.49 3.18 -0.09 0.00 -0.74 0.00 0.00 36.82 40.66 2wrj h ILE 62 CO -0.27 0.68 0.56 0.58 0.00 0.00 0.00 178.15 179.69 2wrj h VAL 63 N -0.50 0.84 0.45 1.67 2.07 -0.37 -0.36 116.25 120.04 2wrj h VAL 63 Ca -0.10 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2wrj h VAL 63 Cb 1.44 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2wrj h VAL 63 CO 0.11 0.15 -0.22 0.03 0.02 0.00 0.00 177.57 177.67 2wrj h ARG 64 N 0.83 -0.58 -1.00 1.57 3.08 -1.53 0.10 114.38 116.86 2wrj h ARG 64 Ca 0.49 0.04 0.23 0.00 0.07 0.00 0.00 59.98 60.80 2wrj h ARG 64 Cb 0.58 0.13 -0.19 0.00 0.08 0.00 0.00 29.97 30.57 2wrj h ARG 64 CO -0.31 -0.39 -0.15 0.82 -1.07 0.00 0.00 179.97 178.88 2wrj h ILE 65 N -1.05 0.01 0.00 2.04 2.04 -1.26 0.75 117.51 120.04 2wrj h ILE 65 Ca -0.06 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2wrj h ILE 65 Cb 0.46 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2wrj h ILE 65 CO 0.10 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 175.05 2wrj n ASN 66 N -5.58 0.00 -0.41 1.72 4.05 -0.16 -1.40 115.26 113.47 2wrj n ASN 66 Ca 0.19 0.51 0.32 0.00 0.45 0.00 0.00 54.58 56.05 2wrj n ASN 66 Cb 0.60 -0.04 0.51 0.00 1.23 0.00 0.00 39.78 42.08 2wrj n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wrj n ALA 67 N -0.61 1.12 -0.00 5.20 0.00 0.35 0.24 120.51 126.82 2wrj n ALA 67 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 2wrj n ALA 67 Cb 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 2wrj n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj h ALA 68 N 0.78 -0.11 0.00 0.00 0.00 0.56 -3.22 119.26 117.26 2wrj h ALA 68 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2wrj h ALA 68 Cb 2.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.09 2wrj h ALA 68 CO -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.04 2wrj h ARG 70 N 0.00 0.00 0.00 0.00 2.43 0.09 -1.24 114.38 115.67 2wrj h ARG 70 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wrj h ARG 70 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2wrj h ARG 70 CO 0.00 0.00 -0.04 0.37 -1.51 0.00 0.00 179.97 178.79 2wrj h GLN 71 N 0.00 0.00 -0.47 0.20 4.15 -0.58 -3.18 115.11 115.24 2wrj h GLN 71 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wrj h GLN 71 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2wrj h GLN 71 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.62 2wrj n HIS 72 N -2.81 1.61 0.00 3.99 8.25 -0.47 -4.99 115.22 120.79 2wrj n HIS 72 Ca 0.04 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 2wrj n HIS 72 Cb 0.50 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2wrj n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrj n GLY 73 N 0.28 2.76 3.93 -1.41 0.00 -1.20 -5.05 105.19 104.50 2wrj n GLY 73 Ca 0.25 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 2wrj n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wrj s LEU 74 N 0.00 2.76 0.40 0.99 0.05 -1.21 -4.89 118.68 116.78 2wrj s LEU 74 Ca 0.00 0.48 0.08 0.00 0.05 0.00 0.00 54.13 54.73 2wrj s LEU 74 Cb 0.00 -3.07 -0.02 0.00 -2.05 0.00 0.00 46.19 41.06 2wrj s LEU 74 CO 0.00 -1.71 0.40 0.54 -0.55 0.00 0.00 176.35 175.03 2wrj s ASN 75 N -4.55 5.22 0.10 1.48 4.22 -1.26 -2.52 114.94 117.63 2wrj s ASN 75 Ca 0.61 -0.63 -0.33 0.00 -2.14 0.00 0.00 52.86 50.37 2wrj s ASN 75 Cb -0.10 -0.67 -0.14 0.00 1.28 0.00 0.00 41.25 41.62 2wrj s ASN 75 CO 0.46 -0.62 1.59 0.22 -2.04 0.00 0.00 177.10 176.71 2wrj h TYR 76 N 0.99 -1.14 -0.47 1.54 -0.00 -1.90 -1.10 116.97 114.89 2wrj h TYR 76 Ca -0.42 0.01 0.07 0.00 -0.00 0.00 0.00 58.73 58.39 2wrj h TYR 76 Cb 1.27 0.45 -0.09 0.00 -0.00 0.00 0.00 36.73 38.36 2wrj h TYR 76 CO 0.49 -0.56 -0.47 0.66 -0.00 0.00 0.00 178.16 178.29 2wrj h SER 77 N -0.80 -1.59 0.24 -2.11 4.64 -2.00 -1.45 113.55 110.48 2wrj h SER 77 Ca -0.03 0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2wrj h SER 77 Cb 0.74 0.69 -0.04 0.00 -0.31 0.00 0.00 62.40 63.47 2wrj h SER 77 CO -0.10 -0.37 -0.50 0.74 -0.87 0.00 0.00 176.83 175.73 2wrj h THR 78 N -0.31 0.04 -0.52 2.95 2.02 -1.96 -2.70 112.91 112.42 2wrj h THR 78 Ca 0.13 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2wrj h THR 78 Cb 0.58 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.96 2wrj h THR 78 CO -0.63 0.00 -0.31 0.33 0.37 0.00 0.00 175.52 175.29 2wrj n PHE 79 N -5.51 -0.23 0.25 3.16 -0.00 -0.43 0.31 117.46 115.02 2wrj n PHE 79 Ca -0.09 0.65 0.10 0.00 -0.00 0.00 0.00 57.45 58.11 2wrj n PHE 79 Cb 0.42 -0.52 0.67 0.00 -0.00 0.00 0.00 39.48 40.06 2wrj n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2wrj h ILE 80 N 0.00 0.81 -0.04 -2.13 1.08 -1.00 -1.51 117.51 114.72 2wrj h ILE 80 Ca 0.08 -0.43 -0.08 0.00 -0.39 0.00 0.00 64.86 64.05 2wrj h ILE 80 Cb 0.21 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 2wrj h ILE 80 CO -0.49 0.11 -0.33 -0.74 -0.69 0.00 0.00 178.15 176.01 2wrj h HIS 81 N 0.00 0.08 0.00 1.37 2.76 0.14 -1.25 115.15 118.26 2wrj h HIS 81 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2wrj h HIS 81 Cb 0.24 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2wrj h HIS 81 CO 0.00 0.40 0.00 0.41 -1.30 0.00 0.00 177.93 177.44 2wrj n GLY 82 N -0.53 -1.32 0.39 5.26 0.00 -0.59 0.62 105.19 109.04 2wrj n GLY 82 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2wrj n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wrj h LEU 83 N 0.00 0.00 0.00 0.99 4.07 -1.57 0.61 115.31 119.42 2wrj h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wrj h LEU 83 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2wrj h LEU 83 CO 0.00 0.00 -0.25 0.50 -1.08 0.00 0.00 178.44 177.61 2wrj h LYS 84 N 0.00 0.00 -0.95 1.13 1.63 -1.15 -2.76 116.57 114.48 2wrj h LYS 84 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2wrj h LYS 84 Cb 2.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.71 2wrj h LYS 84 CO -0.00 0.00 0.00 1.17 -3.45 0.00 0.00 179.45 177.17 2wrj n LYS 85 N -4.52 0.81 -0.04 1.90 4.81 0.20 -1.79 118.16 119.54 2wrj n LYS 85 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.36 2wrj n LYS 85 Cb 0.13 -1.29 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 2wrj n LYS 85 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wrj n ALA 86 N 0.27 1.79 -0.04 3.14 0.00 0.17 -4.96 120.51 120.89 2wrj n ALA 86 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2wrj n ALA 86 Cb 0.28 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2wrj n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 87 N 2.56 0.51 2.56 0.00 0.00 -0.74 -4.99 105.19 105.10 2wrj n GLY 87 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2wrj n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wrj n ILE 88 N -2.00 5.32 -1.62 -0.61 -5.35 -1.04 -4.86 119.36 109.19 2wrj n ILE 88 Ca 0.00 -4.79 -0.40 0.00 -0.27 0.00 0.00 62.75 57.29 2wrj n ILE 88 Cb 0.00 -1.81 -0.04 0.00 -1.74 0.00 0.00 39.64 36.05 2wrj n ILE 88 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2wrj n GLU 89 N 0.92 2.02 0.00 6.28 2.13 -1.25 -4.43 120.64 126.31 2wrj n GLU 89 Ca 0.56 -2.30 0.00 0.00 0.66 0.00 0.00 57.16 56.07 2wrj n GLU 89 Cb 0.27 -3.23 0.00 0.00 0.27 0.00 0.00 31.44 28.76 2wrj n GLU 89 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wrj n VAL 90 N 6.19 0.00 0.00 6.31 0.31 -1.26 -4.90 118.33 124.98 2wrj n VAL 90 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 2wrj n VAL 90 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 2wrj n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wrj n ASP 91 N 0.00 0.00 -2.67 4.52 -0.08 -1.26 -4.71 116.55 112.36 2wrj n ASP 91 Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2wrj n ASP 91 Cb 0.00 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.46 2wrj n ASP 91 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2wrj n ARG 92 N 0.00 -3.45 0.00 -0.67 0.00 -1.26 -3.13 116.66 108.15 2wrj n ARG 92 Ca 0.00 2.76 0.00 0.00 -0.00 0.00 0.00 57.85 60.61 2wrj n ARG 92 Cb 0.00 -5.23 0.00 0.00 0.00 0.00 0.00 32.46 27.23 2wrj n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wrj n LYS 93 N 0.72 0.00 0.11 -0.14 4.01 -1.26 0.22 118.16 121.82 2wrj n LYS 93 Ca -0.02 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.69 2wrj n LYS 93 Cb 0.03 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.50 2wrj n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2wrj h ASN 94 N 0.00 -0.78 0.00 4.39 -1.24 -1.92 -1.59 115.58 114.44 2wrj h ASN 94 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2wrj h ASN 94 Cb 0.00 0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2wrj h ASN 94 CO 0.00 -0.33 0.00 0.18 -1.29 0.00 0.00 177.43 175.99 2wrj n LEU 95 N -4.00 0.53 -0.83 0.34 4.77 0.13 -2.95 117.00 114.99 2wrj n LEU 95 Ca -0.06 -0.26 0.05 0.00 -0.03 0.00 0.00 56.01 55.71 2wrj n LEU 95 Cb 0.23 -0.26 0.17 0.00 -2.33 0.00 0.00 43.42 41.23 2wrj n LEU 95 CO 0.11 0.13 0.62 0.00 -1.33 0.00 0.00 177.39 176.92 2wrj n ALA 96 N -0.06 2.66 1.22 -1.18 0.00 -0.60 -3.66 120.51 118.89 2wrj n ALA 96 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 53.44 52.78 2wrj n ALA 96 Cb 0.13 -1.00 0.45 0.00 0.00 0.00 0.00 19.45 19.04 2wrj n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wrj n ASP 97 N 0.50 0.00 -0.28 0.00 5.75 -1.15 -3.28 116.55 118.09 2wrj n ASP 97 Ca 0.13 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 2wrj n ASP 97 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2wrj n ASP 97 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wrj n LEU 98 N -0.89 0.32 -0.07 -2.12 4.77 -1.24 -1.45 117.00 116.31 2wrj n LEU 98 Ca 0.11 -0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 2wrj n LEU 98 Cb 0.05 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 2wrj n LEU 98 CO 0.09 0.08 -0.99 0.00 -1.33 0.00 0.00 177.39 175.23 2wrj n ALA 99 N -0.10 1.63 -0.02 -1.18 0.00 -1.21 -3.67 120.51 115.97 2wrj n ALA 99 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 53.44 52.33 2wrj n ALA 99 Cb 0.08 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 2wrj n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrj n VAL 100 N -2.58 1.67 -4.46 0.00 0.31 -0.69 -4.55 118.33 108.04 2wrj n VAL 100 Ca -0.25 -0.74 -0.33 0.00 -0.01 0.00 0.00 64.34 63.01 2wrj n VAL 100 Cb 0.97 -1.31 -0.15 0.00 -0.91 0.00 0.00 33.84 32.44 2wrj n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wrj s ARG 101 N -2.58 3.18 -0.57 5.55 0.52 -0.53 -4.77 118.95 119.76 2wrj s ARG 101 Ca -0.13 -0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2wrj s ARG 101 Cb 0.07 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 2wrj s ARG 101 CO 0.80 -0.03 0.48 0.39 0.02 0.00 0.00 175.30 176.96 2wrj n GLU 102 N 4.17 -2.82 -0.26 3.54 -0.58 -1.26 -4.01 120.64 119.42 2wrj n GLU 102 Ca -0.19 0.42 0.05 0.00 -0.42 0.00 0.00 57.16 57.01 2wrj n GLU 102 Cb 0.51 -4.04 0.15 0.00 -0.57 0.00 0.00 31.44 27.49 2wrj n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2wrj h PRO 103 N -0.85 0.09 -0.96 3.49 0.13 -1.80 0.20 132.00 132.30 2wrj h PRO 103 Ca -0.29 -0.01 0.22 0.00 -0.87 0.00 0.00 66.00 65.06 2wrj h PRO 103 Cb 1.16 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 2wrj h PRO 103 CO 0.24 0.06 0.53 1.96 -0.23 0.00 0.00 178.00 180.56 2wrj h GLN 104 N 0.09 0.54 -0.40 0.86 4.20 -1.92 0.40 115.11 118.89 2wrj h GLN 104 Ca 0.41 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.05 2wrj h GLN 104 Cb 0.71 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2wrj h GLN 104 CO -0.67 0.36 0.09 0.28 -0.67 0.00 0.00 178.83 178.22 2wrj h VAL 105 N 0.55 1.23 0.00 -0.54 2.07 -0.92 -0.59 116.25 118.06 2wrj h VAL 105 Ca 0.60 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2wrj h VAL 105 Cb 1.09 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2wrj h VAL 105 CO -0.47 0.27 0.00 0.33 0.02 0.00 0.00 177.57 177.72 2wrj n PHE 106 N -4.56 0.00 -0.49 1.57 7.35 0.12 -1.99 117.46 119.46 2wrj n PHE 106 Ca -0.01 0.00 0.40 0.00 -0.76 0.00 0.00 57.45 57.09 2wrj n PHE 106 Cb 0.21 -0.40 0.70 0.00 0.35 0.00 0.00 39.48 40.34 2wrj n PHE 106 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wrj h ALA 107 N -1.81 3.07 -0.82 3.13 0.00 -0.95 2.49 119.26 124.37 2wrj h ALA 107 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2wrj h ALA 107 Cb 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2wrj h ALA 107 CO 0.00 -1.62 0.50 1.49 0.00 0.00 0.00 179.25 179.62 2wrj h GLU 108 N 0.07 0.89 -0.28 0.00 4.22 -0.46 -0.98 114.58 118.05 2wrj h GLU 108 Ca 0.80 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 60.06 2wrj h GLU 108 Cb 2.78 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.83 2wrj h GLU 108 CO -0.24 0.59 -0.34 -0.07 -2.18 0.00 0.00 179.01 176.77 2wrj h LEU 109 N 0.92 0.78 0.00 1.64 3.38 0.47 -2.84 115.31 119.67 2wrj h LEU 109 Ca 0.36 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2wrj h LEU 109 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wrj h LEU 109 CO -0.17 1.12 0.00 0.52 0.09 0.00 0.00 178.44 179.99 2wrj n VAL 110 N -4.22 0.00 -0.02 1.22 0.31 -0.44 0.43 118.33 115.61 2wrj n VAL 110 Ca -0.04 1.34 0.24 0.00 -0.01 0.00 0.00 64.34 65.86 2wrj n VAL 110 Cb 0.50 -1.91 0.71 0.00 -0.91 0.00 0.00 33.84 32.23 2wrj n VAL 110 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wrj h GLU 111 N 0.00 0.00 -0.28 5.55 4.39 -1.47 1.09 114.58 123.86 2wrj h GLU 111 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2wrj h GLU 111 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2wrj h GLU 111 CO 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 179.01 177.52 2wrj h ARG 112 N 0.00 0.59 0.00 2.33 2.47 0.24 -2.85 114.38 117.16 2wrj h ARG 112 Ca 0.29 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2wrj h ARG 112 Cb 1.49 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2wrj h ARG 112 CO -0.00 0.84 -0.15 0.00 0.56 0.00 0.00 179.97 181.22 2wrj h ALA 113 N 1.14 0.01 0.00 0.04 0.00 0.47 -3.07 119.26 117.85 2wrj h ALA 113 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wrj h ALA 113 Cb 0.81 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2wrj h ALA 113 CO 0.07 0.14 0.00 0.36 0.00 0.00 0.00 179.25 179.82 2wrj n LYS 114 N -4.72 0.06 -0.10 0.00 2.85 -0.18 0.61 118.16 116.67 2wrj n LYS 114 Ca -0.03 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.04 2wrj n LYS 114 Cb 0.11 -1.00 -0.08 0.00 -0.65 0.00 0.00 35.03 33.41 2wrj n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wrj n ALA 115 N -0.41 1.62 0.39 0.58 0.00 -1.08 -1.54 120.51 120.07 2wrj n ALA 115 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 53.44 52.65 2wrj n ALA 115 Cb 0.00 0.16 0.22 0.00 0.00 0.00 0.00 19.45 19.83 2wrj n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj n ALA 116 N -3.62 1.52 -2.29 0.00 0.00 0.20 -0.74 120.51 115.58 2wrj n ALA 116 Ca -0.39 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.05 2wrj n ALA 116 Cb 0.82 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 19.16 2wrj n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wrj n GLN 117 N -1.39 0.19 0.00 0.00 1.13 -0.36 -5.01 117.38 111.95 2wrj n GLN 117 Ca 0.03 -1.98 0.16 0.00 -1.94 0.00 0.00 57.00 53.27 2wrj n GLN 117 Cb 0.09 -0.28 0.88 0.00 0.11 0.00 0.00 30.24 31.04 2wrj n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03