#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s GLU 2 N 0.00 0.77 -0.10 2.12 -1.05 -1.26 -4.21 118.70 114.97 2wdj s GLU 2 Ca 0.00 0.44 0.02 0.00 -0.15 0.00 0.00 54.97 55.28 2wdj s GLU 2 Cb 0.00 0.37 -0.02 0.00 -0.44 0.00 0.00 34.13 34.04 2wdj s GLU 2 CO 0.00 -0.19 -0.16 0.00 0.95 0.00 0.00 175.26 175.86 2wdj s ALA 3 N -0.57 2.54 0.70 -0.84 0.00 -0.60 -4.95 121.76 118.04 2wdj s ALA 3 Ca -0.03 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 2wdj s ALA 3 Cb -0.02 -1.06 0.13 0.00 0.00 0.00 0.00 23.12 22.17 2wdj s ALA 3 CO 0.03 0.34 0.89 1.63 0.00 0.00 0.00 175.76 178.64 2wdj n LYS 4 N 3.20 -0.05 0.00 0.00 5.02 -1.26 0.12 118.16 125.19 2wdj n LYS 4 Ca -0.18 -2.39 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 2wdj n LYS 4 Cb 0.53 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 2wdj n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdj n ALA 5 N -2.93 1.47 -1.89 7.82 0.00 -0.69 -4.53 120.51 119.76 2wdj n ALA 5 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2wdj n ALA 5 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wdj n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wdj n ILE 6 N -0.76-11.13 -3.92 0.00 5.41 -1.22 -4.90 119.36 102.84 2wdj n ILE 6 Ca 0.00 2.62 -0.30 0.00 1.00 0.00 0.00 62.75 66.07 2wdj n ILE 6 Cb 0.00 -5.11 -0.16 0.00 -0.71 0.00 0.00 39.64 33.66 2wdj n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdj s ALA 7 N -0.44 1.91 0.41 -1.39 0.00 0.60 -4.97 121.76 117.88 2wdj s ALA 7 Ca 0.00 -1.35 -0.19 0.00 0.00 0.00 0.00 51.96 50.42 2wdj s ALA 7 Cb 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.58 2wdj s ALA 7 CO 0.00 -1.22 0.89 1.03 0.00 0.00 0.00 175.76 176.46 2wdj s ARG 8 N 1.42 4.13 -0.75 0.00 1.81 -1.26 -1.98 118.95 122.32 2wdj s ARG 8 Ca -0.05 0.96 -0.05 0.00 -1.72 0.00 0.00 55.73 54.87 2wdj s ARG 8 Cb -0.19 -2.25 0.01 0.00 -0.45 0.00 0.00 34.95 32.07 2wdj s ARG 8 CO -0.07 0.00 0.63 0.66 -0.68 0.00 0.00 175.30 175.85 2wdj n TYR 9 N -0.66 -2.39 0.10 -0.53 0.53 -1.15 -4.93 117.16 108.14 2wdj n TYR 9 Ca 0.06 0.96 -0.23 0.00 -1.02 0.00 0.00 57.90 57.67 2wdj n TYR 9 Cb 0.54 -3.00 -0.15 0.00 -1.03 0.00 0.00 39.34 35.69 2wdj n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 2wdj h VAL 10 N 0.25 1.25 -1.32 -0.72 2.07 -0.70 -3.47 116.25 113.61 2wdj h VAL 10 Ca -0.46 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.45 2wdj h VAL 10 Cb 1.30 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 34.08 2wdj h VAL 10 CO 0.33 0.79 0.00 -1.14 0.02 0.00 0.00 177.57 177.57 2wdj n ARG 11 N -3.80 0.00 -3.63 1.57 0.00 -1.26 -4.90 116.66 104.64 2wdj n ARG 11 Ca -0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.62 2wdj n ARG 11 Cb 1.03 -0.85 -0.06 0.00 0.00 0.00 0.00 32.46 32.58 2wdj n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2wdj s ILE 12 N -2.35 -0.15 0.40 5.15 2.07 -1.22 -4.94 121.20 120.16 2wdj s ILE 12 Ca 0.00 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 58.98 2wdj s ILE 12 Cb 0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 2wdj s ILE 12 CO 0.00 0.00 1.31 -0.24 -1.91 0.00 0.00 174.94 174.10 2wdj n SER 13 N 4.35 2.78 0.00 4.50 2.88 -1.26 -2.51 113.62 124.37 2wdj n SER 13 Ca -0.18 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2wdj n SER 13 Cb 0.57 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2wdj n SER 13 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wdj n PRO 14 N 0.20 0.00 -0.11 -1.46 -0.02 -1.26 -2.55 135.00 129.79 2wdj n PRO 14 Ca 0.05 0.32 0.01 0.00 -2.02 0.00 0.00 63.50 61.87 2wdj n PRO 14 Cb 0.39 -1.08 0.03 0.00 -0.02 0.00 0.00 33.50 32.82 2wdj n PRO 14 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdj n ARG 15 N -1.02 -0.04 -0.28 -0.52 1.74 -1.26 0.16 116.66 115.44 2wdj n ARG 15 Ca 0.00 0.46 0.09 0.00 -0.77 0.00 0.00 57.85 57.64 2wdj n ARG 15 Cb 0.00 -0.69 0.25 0.00 -1.02 0.00 0.00 32.46 31.00 2wdj n ARG 15 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdj h LYS 16 N 0.00 0.38 0.09 5.56 1.79 -1.87 -2.94 116.57 119.57 2wdj h LYS 16 Ca 0.13 -0.02 -0.36 0.00 -2.18 0.00 0.00 60.65 58.22 2wdj h LYS 16 Cb 0.21 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 2wdj h LYS 16 CO -0.30 0.25 -2.02 1.33 -1.08 0.00 0.00 179.45 177.63 2wdj n VAL 17 N -5.05 1.71 -0.34 0.50 0.24 0.43 -4.02 118.33 111.80 2wdj n VAL 17 Ca 0.18 -0.68 0.27 0.00 -2.04 0.00 0.00 64.34 62.08 2wdj n VAL 17 Cb 0.54 -1.54 0.52 0.00 -1.47 0.00 0.00 33.84 31.89 2wdj n VAL 17 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2wdj h ARG 18 N 0.05 0.21 -0.66 7.34 3.08 -1.25 2.04 114.38 125.19 2wdj h ARG 18 Ca -0.42 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 59.76 2wdj h ARG 18 Cb 2.02 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.99 2wdj h ARG 18 CO 0.07 0.14 0.45 -0.07 -1.07 0.00 0.00 179.97 179.49 2wdj h LEU 19 N 0.22 0.25 0.08 3.04 4.07 -1.66 0.25 115.31 121.57 2wdj h LEU 19 Ca 0.77 0.01 -0.30 0.00 0.08 0.00 0.00 57.88 58.45 2wdj h LEU 19 Cb 1.89 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.58 2wdj h LEU 19 CO -0.64 0.14 -1.59 0.58 -1.08 0.00 0.00 178.44 175.85 2wdj h VAL 20 N 0.27 0.84 -0.55 1.22 2.07 0.30 -3.17 116.25 117.23 2wdj h VAL 20 Ca 0.32 -2.31 0.10 0.00 0.82 0.00 0.00 66.70 65.63 2wdj h VAL 20 Cb 0.87 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 33.04 2wdj h VAL 20 CO -0.07 0.65 0.10 0.58 0.02 0.00 0.00 177.57 178.86 2wdj h VAL 21 N -0.38 0.67 -0.73 2.57 2.07 -0.65 0.77 116.25 120.56 2wdj h VAL 21 Ca -0.36 -0.08 0.18 0.00 0.82 0.00 0.00 66.70 67.25 2wdj h VAL 21 Cb 1.72 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 2wdj h VAL 21 CO -0.02 0.04 0.50 0.44 0.02 0.00 0.00 177.57 178.56 2wdj h ASP 22 N 0.24 0.19 0.44 0.57 3.45 -0.64 0.51 116.42 121.18 2wdj h ASP 22 Ca 0.28 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.76 2wdj h ASP 22 Cb 0.40 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 2wdj h ASP 22 CO -0.37 0.09 0.00 -0.11 -1.57 0.00 0.00 179.24 177.28 2wdj n LEU 23 N -4.41 0.18 0.00 1.55 7.94 0.27 -3.41 117.00 119.11 2wdj n LEU 23 Ca 0.14 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 2wdj n LEU 23 Cb 0.66 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2wdj n LEU 23 CO 0.35 -0.40 0.16 2.30 -1.11 0.00 0.00 177.39 178.69 2wdj n ILE 24 N -1.71 0.10 -1.66 1.96 -5.35 0.13 -4.99 119.36 107.83 2wdj n ILE 24 Ca 0.02 -0.24 -0.40 0.00 -0.27 0.00 0.00 62.75 61.87 2wdj n ILE 24 Cb 0.15 1.42 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 2wdj n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2wdj s ARG 25 N -0.10 2.69 0.00 6.28 3.52 -0.94 -3.04 118.95 127.36 2wdj s ARG 25 Ca 0.00 1.60 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 2wdj s ARG 25 Cb 0.00 -4.44 0.00 0.00 -1.56 0.00 0.00 34.95 28.95 2wdj s ARG 25 CO 0.00 -2.61 0.00 0.41 -0.81 0.00 0.00 175.30 172.29 2wdj n GLY 26 N 5.82 0.71 3.32 8.12 0.00 -0.90 -5.05 105.19 117.22 2wdj n GLY 26 Ca 0.31 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 2wdj n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdj n LYS 27 N -0.48 0.48 -3.16 1.61 5.02 -1.17 -4.91 118.16 115.55 2wdj n LYS 27 Ca 0.00 -3.31 -0.35 0.00 -2.02 0.00 0.00 58.31 52.63 2wdj n LYS 27 Cb 0.19 2.80 -0.06 0.00 -0.02 0.00 0.00 35.03 37.94 2wdj n LYS 27 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wdj s SER 28 N -3.36 6.93 0.57 4.39 1.04 -1.26 0.70 113.70 122.71 2wdj s SER 28 Ca 0.39 1.31 0.28 0.00 0.48 0.00 0.00 55.95 58.41 2wdj s SER 28 Cb 0.01 -2.38 1.49 0.00 0.10 0.00 0.00 66.02 65.25 2wdj s SER 28 CO 0.27 -0.02 1.98 0.25 0.98 0.00 0.00 173.24 176.70 2wdj h LEU 29 N 3.11 0.00 0.01 2.42 5.85 -1.87 0.40 115.31 125.23 2wdj h LEU 29 Ca -0.48 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 57.98 2wdj h LEU 29 Cb 1.19 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.22 2wdj h LEU 29 CO 0.65 0.00 -1.14 -0.08 -0.34 0.00 0.00 178.44 177.54 2wdj h GLU 30 N 0.00 0.36 0.00 1.25 4.81 -1.92 -3.02 114.58 116.06 2wdj h GLU 30 Ca 0.21 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2wdj h GLU 30 Cb 0.99 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2wdj h GLU 30 CO -0.00 1.20 0.00 -1.91 -0.73 0.00 0.00 179.01 177.56 2wdj n GLU 31 N -3.64 0.00 -0.30 1.92 4.07 0.12 -3.05 120.64 119.76 2wdj n GLU 31 Ca -0.09 0.10 0.12 0.00 -0.06 0.00 0.00 57.16 57.23 2wdj n GLU 31 Cb 0.95 -0.95 0.24 0.00 -0.06 0.00 0.00 31.44 31.62 2wdj n GLU 31 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdj n ALA 32 N -0.79 0.41 -0.17 4.31 0.00 -0.17 0.28 120.51 124.40 2wdj n ALA 32 Ca 0.00 0.93 -0.06 0.00 0.00 0.00 0.00 53.44 54.31 2wdj n ALA 32 Cb 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 2wdj n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj h ARG 33 N 0.00 -0.19 -0.56 0.00 3.08 -1.61 0.63 114.38 115.74 2wdj h ARG 33 Ca 0.51 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.50 2wdj h ARG 33 Cb 1.02 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2wdj h ARG 33 CO -0.83 -0.13 0.04 -0.91 -1.07 0.00 0.00 179.97 177.08 2wdj h ASN 34 N -0.20 0.89 0.00 7.04 -0.26 -0.09 -1.08 115.58 121.88 2wdj h ASN 34 Ca 0.20 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2wdj h ASN 34 Cb 0.54 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 2wdj h ASN 34 CO -0.62 0.92 0.00 -0.38 -1.06 0.00 0.00 177.43 176.30 2wdj n ILE 35 N -4.21 0.00 0.11 2.81 5.41 0.03 -1.92 119.36 121.59 2wdj n ILE 35 Ca 0.03 1.49 0.20 0.00 1.00 0.00 0.00 62.75 65.47 2wdj n ILE 35 Cb 0.30 -2.36 0.72 0.00 -0.71 0.00 0.00 39.64 37.59 2wdj n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wdj h LEU 36 N 0.00 0.00 -1.28 1.39 3.38 -1.05 0.40 115.31 118.15 2wdj h LEU 36 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2wdj h LEU 36 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wdj h LEU 36 CO 0.00 0.00 -0.33 -0.09 0.09 0.00 0.00 178.44 178.11 2wdj h ARG 37 N 0.00 0.05 0.00 1.13 9.65 -0.49 -3.23 114.38 121.50 2wdj h ARG 37 Ca 0.18 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.99 2wdj h ARG 37 Cb 1.16 -0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.62 2wdj h ARG 37 CO -0.00 0.38 -0.61 0.66 2.80 0.00 0.00 179.97 183.20 2wdj n TYR 38 N -4.13 0.00 -3.58 2.20 4.01 0.13 -5.00 117.16 110.78 2wdj n TYR 38 Ca -0.02 -1.07 -0.38 0.00 -0.16 0.00 0.00 57.90 56.27 2wdj n TYR 38 Cb 0.38 -0.20 -0.11 0.00 -0.31 0.00 0.00 39.34 39.10 2wdj n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wdj s THR 39 N -2.06 5.27 -0.97 -0.72 2.01 -0.39 -5.03 115.64 113.75 2wdj s THR 39 Ca 0.34 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 62.21 2wdj s THR 39 Cb 0.35 -3.55 0.11 0.00 0.01 0.00 0.00 72.50 69.41 2wdj s THR 39 CO -0.09 0.19 1.24 0.21 -0.69 0.00 0.00 174.62 175.49 2wdj s ASN 40 N 1.75 6.61 -0.07 3.53 2.47 -1.26 -4.82 114.94 123.15 2wdj s ASN 40 Ca 0.07 -1.90 -0.30 0.00 0.42 0.00 0.00 52.86 51.15 2wdj s ASN 40 Cb -0.16 -2.45 0.10 0.00 -1.45 0.00 0.00 41.25 37.28 2wdj s ASN 40 CO 0.11 -1.19 0.82 -0.54 -3.72 0.00 0.00 177.10 172.57 2wdj s LYS 41 N 3.36 0.88 0.18 0.43 -0.14 -1.26 -5.06 119.74 118.13 2wdj s LYS 41 Ca 0.37 0.09 -0.09 0.00 -1.36 0.00 0.00 55.97 54.98 2wdj s LYS 41 Cb -0.03 0.41 0.05 0.00 -1.68 0.00 0.00 37.83 36.58 2wdj s LYS 41 CO -0.09 -0.30 1.61 -0.09 -0.76 0.00 0.00 175.35 175.71 2wdj h ARG 42 N 2.63 1.03 -0.37 1.68 2.43 -1.93 -3.26 114.38 116.60 2wdj h ARG 42 Ca -0.24 -0.38 0.03 0.00 -0.81 0.00 0.00 59.98 58.59 2wdj h ARG 42 Cb 1.18 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 2wdj h ARG 42 CO 0.35 1.07 -0.26 0.78 -1.51 0.00 0.00 179.97 180.40 2wdj h GLY 43 N 0.94 -1.79 0.00 2.80 0.00 -1.95 -2.90 103.07 100.16 2wdj h GLY 43 Ca 0.14 0.94 0.00 0.00 0.00 0.00 0.00 47.33 48.42 2wdj h GLY 43 CO 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 176.54 176.06 2wdj n ALA 44 N -3.04 0.00 -0.26 3.60 0.00 -1.23 -0.15 120.51 119.43 2wdj n ALA 44 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2wdj n ALA 44 Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 2wdj n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wdj n TYR 45 N -1.87 -0.27 -0.23 0.00 9.36 -1.10 0.47 117.16 123.52 2wdj n TYR 45 Ca 0.00 0.77 -0.03 0.00 3.32 0.00 0.00 57.90 61.96 2wdj n TYR 45 Cb 0.00 -0.53 0.16 0.00 -0.63 0.00 0.00 39.34 38.34 2wdj n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2wdj h PHE 46 N 0.00 1.05 0.00 2.98 0.04 -0.70 0.06 116.94 120.37 2wdj h PHE 46 Ca 0.10 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2wdj h PHE 46 Cb 0.25 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.07 2wdj h PHE 46 CO -0.73 0.76 0.00 0.28 -0.60 0.00 0.00 178.31 178.02 2wdj n VAL 47 N -4.33 0.06 0.00 -0.55 0.31 0.18 -2.48 118.33 111.52 2wdj n VAL 47 Ca 0.07 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2wdj n VAL 47 Cb 0.14 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 2wdj n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdj n ALA 48 N -1.03 0.00 0.00 3.52 0.00 0.22 -3.62 120.51 119.60 2wdj n ALA 48 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wdj n ALA 48 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2wdj n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdj n LYS 49 N -0.36 0.00 0.28 0.00 4.76 -0.94 0.15 118.16 122.04 2wdj n LYS 49 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2wdj n LYS 49 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 2wdj n LYS 49 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2wdj h VAL 50 N 0.00 0.00 -0.19 -0.18 3.04 -1.71 -1.54 116.25 115.67 2wdj h VAL 50 Ca 0.00 -0.05 0.04 0.00 -1.01 0.00 0.00 66.70 65.69 2wdj h VAL 50 Cb 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.24 2wdj h VAL 50 CO 0.00 0.00 -0.09 0.25 -1.01 0.00 0.00 177.57 176.72 2wdj h LEU 51 N -0.76 -0.30 -2.27 3.16 7.12 0.13 1.04 115.31 123.42 2wdj h LEU 51 Ca -0.07 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.05 2wdj h LEU 51 Cb 0.55 0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 2wdj h LEU 51 CO 0.12 -0.12 0.23 -0.08 -0.13 0.00 0.00 178.44 178.46 2wdj h GLU 52 N -0.07 0.00 0.05 1.25 4.57 -1.08 0.28 114.58 119.59 2wdj h GLU 52 Ca 0.10 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.99 2wdj h GLU 52 Cb 0.22 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2wdj h GLU 52 CO -0.24 0.00 -1.62 0.45 -1.18 0.00 0.00 179.01 176.42 2wdj n SER 53 N -3.47 1.97 0.25 1.04 2.88 0.03 -3.66 113.62 112.66 2wdj n SER 53 Ca 0.01 0.33 0.16 0.00 -1.33 0.00 0.00 58.87 58.04 2wdj n SER 53 Cb 0.33 -0.91 0.76 0.00 -0.75 0.00 0.00 64.21 63.64 2wdj n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdj h ALA 54 N -0.29 1.62 0.25 -1.46 0.00 0.28 0.11 119.26 119.77 2wdj h ALA 54 Ca -0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2wdj h ALA 54 Cb 1.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2wdj h ALA 54 CO -0.11 -0.47 -0.12 0.00 0.00 0.00 0.00 179.25 178.55 2wdj h ALA 55 N 1.33 -0.44 0.00 0.00 0.00 -0.64 -2.81 119.26 116.70 2wdj h ALA 55 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wdj h ALA 55 Cb 0.87 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wdj h ALA 55 CO -0.00 -0.41 0.37 0.00 0.00 0.00 0.00 179.25 179.21 2wdj h ALA 56 N -1.38 1.35 0.19 0.00 0.00 -0.95 0.37 119.26 118.84 2wdj h ALA 56 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2wdj h ALA 56 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wdj h ALA 56 CO 0.06 -0.35 -1.40 -0.91 0.00 0.00 0.00 179.25 176.64 2wdj h ASN 57 N 0.00 0.61 0.01 0.00 -0.26 -1.01 -2.53 115.58 112.40 2wdj h ASN 57 Ca 0.00 -0.68 -0.03 0.00 -0.56 0.00 0.00 56.30 55.02 2wdj h ASN 57 Cb 0.75 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 2wdj h ASN 57 CO 0.00 1.54 -0.08 0.00 -1.06 0.00 0.00 177.43 177.83 2wdj h ALA 58 N 0.37 1.65 -3.00 -0.83 0.00 0.00 -3.08 119.26 114.37 2wdj h ALA 58 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wdj h ALA 58 Cb 2.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2wdj h ALA 58 CO 0.23 0.26 0.00 0.28 0.00 0.00 0.00 179.25 180.02 2wdj n VAL 59 N -4.35 0.00 -0.25 0.00 0.31 -0.90 -1.50 118.33 111.64 2wdj n VAL 59 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 2wdj n VAL 59 Cb 0.21 -0.04 0.06 0.00 -0.91 0.00 0.00 33.84 33.16 2wdj n VAL 59 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2wdj h ASN 60 N 0.00 -0.89 -0.17 4.52 -0.26 -1.62 5.75 115.58 122.90 2wdj h ASN 60 Ca 0.00 0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 2wdj h ASN 60 Cb 0.00 0.52 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 2wdj h ASN 60 CO 0.00 -0.27 0.00 0.59 -1.06 0.00 0.00 177.43 176.69 2wdj n ASN 61 N -5.48 1.59 0.00 5.81 5.03 -1.17 -4.25 115.26 116.80 2wdj n ASN 61 Ca 0.09 -1.71 0.00 0.00 0.87 0.00 0.00 54.58 53.83 2wdj n ASN 61 Cb 0.38 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 2wdj n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wdj n HIS 62 N 0.28 0.00 -2.43 3.10 8.25 -0.35 -5.00 115.22 119.07 2wdj n HIS 62 Ca 0.16 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.40 2wdj n HIS 62 Cb 0.31 0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.46 2wdj n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wdj n ASP 63 N 0.00 -3.21 -0.39 0.41 5.75 1.85 -4.85 116.55 116.12 2wdj n ASP 63 Ca 0.00 -0.07 0.05 0.00 -0.01 0.00 0.00 54.79 54.76 2wdj n ASP 63 Cb 0.14 -0.92 0.03 0.00 -1.03 0.00 0.00 41.12 39.34 2wdj n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wdj n MET 64 N -0.03 0.88 -1.71 0.11 2.81 -0.56 -4.95 117.12 113.67 2wdj n MET 64 Ca -0.05 -1.03 -0.01 0.00 -1.81 0.00 0.00 57.70 54.80 2wdj n MET 64 Cb 0.39 -1.18 -0.01 0.00 -0.71 0.00 0.00 33.22 31.71 2wdj n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wdj n LEU 65 N 0.41 -3.12 -0.32 4.03 0.00 -1.26 -4.64 117.00 112.09 2wdj n LEU 65 Ca 0.06 0.65 0.19 0.00 0.00 0.00 0.00 56.01 56.91 2wdj n LEU 65 Cb 0.26 -1.61 0.40 0.00 0.00 0.00 0.00 43.42 42.48 2wdj n LEU 65 CO 0.08 -1.03 1.07 -0.08 0.00 0.00 0.00 177.39 177.44 2wdj h GLU 66 N 1.10 0.32 -0.47 1.96 4.81 -1.96 -2.23 114.58 118.12 2wdj h GLU 66 Ca -0.13 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 2wdj h GLU 66 Cb 0.29 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2wdj h GLU 66 CO 0.00 0.21 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.94 2wdj h ASP 67 N 0.33 0.86 -0.26 1.04 3.32 -2.02 -3.02 116.42 116.67 2wdj h ASP 67 Ca 0.66 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 57.31 2wdj h ASP 67 Cb 1.43 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 2wdj h ASP 67 CO -0.60 0.99 0.18 0.54 -1.72 0.00 0.00 179.24 178.62 2wdj n ARG 68 N -4.15 1.33 -2.96 3.56 5.12 -0.84 -4.91 116.66 113.81 2wdj n ARG 68 Ca 0.01 -0.78 -0.18 0.00 -1.93 0.00 0.00 57.85 54.97 2wdj n ARG 68 Cb 0.38 -1.31 0.02 0.00 -1.16 0.00 0.00 32.46 30.39 2wdj n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wdj s LEU 69 N -0.86 3.60 0.00 0.55 1.43 -1.14 0.22 118.68 122.47 2wdj s LEU 69 Ca 0.15 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2wdj s LEU 69 Cb 0.12 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2wdj s LEU 69 CO 0.02 -0.82 0.00 0.00 0.23 0.00 0.00 176.35 175.79 2wdj n TYR 70 N -1.96 0.00 -2.78 0.29 -0.00 -1.07 -3.75 117.16 107.89 2wdj n TYR 70 Ca 0.07 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.54 2wdj n TYR 70 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.91 2wdj n TYR 70 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2wdj s VAL 71 N -2.00 4.43 0.18 -3.48 1.01 0.22 -0.76 120.40 120.00 2wdj s VAL 71 Ca 0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 60.47 2wdj s VAL 71 Cb 0.00 -4.90 0.15 0.00 0.00 0.00 0.00 36.38 31.62 2wdj s VAL 71 CO 0.00 -1.69 1.66 0.50 0.00 0.00 0.00 175.10 175.57 2wdj h LYS 72 N 9.03 0.02 -2.23 2.72 1.63 -1.65 -2.39 116.57 123.70 2wdj h LYS 72 Ca 0.19 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 60.09 2wdj h LYS 72 Cb 1.00 -0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.47 2wdj h LYS 72 CO 1.24 0.01 0.48 0.00 -3.45 0.00 0.00 179.45 177.73 2wdj s ALA 73 N -6.21 -1.82 0.03 5.00 0.00 -0.91 -4.67 121.76 113.17 2wdj s ALA 73 Ca -0.14 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 2wdj s ALA 73 Cb 0.16 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.65 2wdj s ALA 73 CO 0.72 -0.64 0.59 0.00 0.00 0.00 0.00 175.76 176.42 2wdj s ALA 74 N -2.88 -1.53 0.13 0.00 0.00 -1.26 -1.34 121.76 114.88 2wdj s ALA 74 Ca 0.04 0.83 -0.25 0.00 0.00 0.00 0.00 51.96 52.58 2wdj s ALA 74 Cb -0.01 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.51 2wdj s ALA 74 CO -0.08 -0.50 0.85 1.52 0.00 0.00 0.00 175.76 177.56 2wdj s TYR 75 N -2.20 -0.26 -0.06 0.00 1.13 -1.11 -4.99 117.35 109.86 2wdj s TYR 75 Ca -0.06 -0.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.57 2wdj s TYR 75 Cb -0.01 0.61 0.03 0.00 -1.10 0.00 0.00 41.96 41.49 2wdj s TYR 75 CO 0.01 -0.82 -0.01 0.54 -2.51 0.00 0.00 175.55 172.76 2wdj s VAL 76 N -3.40 0.38 0.08 -3.49 0.11 -1.26 -2.26 120.40 110.55 2wdj s VAL 76 Ca 0.08 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 2wdj s VAL 76 Cb -0.02 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2wdj s VAL 76 CO -0.02 0.24 0.09 -1.81 -3.33 0.00 0.00 175.10 170.28 2wdj s ASP 77 N 1.73 5.62 0.04 3.54 1.01 -0.53 -4.90 116.67 123.17 2wdj s ASP 77 Ca 0.01 0.02 -0.24 0.00 0.71 0.00 0.00 52.55 53.05 2wdj s ASP 77 Cb -0.13 -1.53 -0.06 0.00 1.01 0.00 0.00 42.92 42.21 2wdj s ASP 77 CO -0.04 0.17 0.74 -0.70 0.21 0.00 0.00 175.17 175.56 2wdj s GLU 78 N -2.40 4.47 0.50 8.23 2.12 -1.26 0.77 118.70 131.14 2wdj s GLU 78 Ca 0.30 1.03 0.06 0.00 0.36 0.00 0.00 54.97 56.72 2wdj s GLU 78 Cb -0.12 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 30.95 2wdj s GLU 78 CO 0.23 0.30 0.69 0.20 -0.54 0.00 0.00 175.26 176.13 2wdj s GLY 79 N -0.10 1.87 0.27 -1.50 0.00 0.12 -4.87 107.32 103.10 2wdj s GLY 79 Ca 0.37 -1.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 2wdj s GLY 79 CO 0.22 -1.40 1.21 -1.55 0.00 0.00 0.00 173.10 171.58 2wdj n PRO 80 N -2.10 1.67 -3.02 2.90 -0.04 -1.26 -4.25 135.00 128.90 2wdj n PRO 80 Ca 0.10 0.59 -0.34 0.00 -0.04 0.00 0.00 63.50 63.81 2wdj n PRO 80 Cb 0.60 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 2wdj n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdj s ALA 81 N -0.63 3.25 -0.69 0.55 0.00 -1.26 -4.42 121.76 118.56 2wdj s ALA 81 Ca 0.63 0.20 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 2wdj s ALA 81 Cb -0.69 -2.91 0.15 0.00 0.00 0.00 0.00 23.12 19.67 2wdj s ALA 81 CO 0.56 0.27 0.72 -0.51 0.00 0.00 0.00 175.76 176.80 2wdj s LEU 82 N -2.79 6.01 0.07 0.00 1.43 -0.28 -5.00 118.68 118.13 2wdj s LEU 82 Ca 0.54 -2.01 -0.31 0.00 -1.03 0.00 0.00 54.13 51.33 2wdj s LEU 82 Cb -0.12 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.79 2wdj s LEU 82 CO 0.17 -0.87 1.20 -0.54 0.23 0.00 0.00 176.35 176.55 2wdj s LYS 83 N 1.58 4.44 0.31 1.70 1.02 -1.26 -1.79 119.74 125.73 2wdj s LYS 83 Ca 0.14 1.78 0.04 0.00 0.02 0.00 0.00 55.97 57.95 2wdj s LYS 83 Cb -0.19 -3.33 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 2wdj s LYS 83 CO -0.01 -0.24 0.04 1.03 -0.92 0.00 0.00 175.35 175.24 2wdj s ARG 84 N 0.94 1.62 -0.09 1.68 1.81 -0.60 -4.97 118.95 119.34 2wdj s ARG 84 Ca 0.58 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.71 2wdj s ARG 84 Cb -0.30 -0.91 -0.03 0.00 -0.45 0.00 0.00 34.95 33.27 2wdj s ARG 84 CO 0.30 -0.15 -0.08 0.08 -0.68 0.00 0.00 175.30 174.77 2wdj s VAL 85 N -3.25 3.53 -0.21 3.52 1.01 -1.26 -1.57 120.40 122.17 2wdj s VAL 85 Ca 0.35 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2wdj s VAL 85 Cb 0.08 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 34.03 2wdj s VAL 85 CO 0.15 0.57 -0.17 -0.22 0.00 0.00 0.00 175.10 175.43 2wdj s LEU 86 N -0.44 2.60 0.25 3.92 2.96 0.29 -4.84 118.68 123.42 2wdj s LEU 86 Ca 0.06 -0.91 -0.22 0.00 -0.22 0.00 0.00 54.13 52.84 2wdj s LEU 86 Cb -0.12 -1.51 -0.09 0.00 0.50 0.00 0.00 46.19 44.97 2wdj s LEU 86 CO 0.02 -0.07 0.80 -2.16 -1.32 0.00 0.00 176.35 173.63 2wdj s PRO 87 N 1.22 4.39 0.42 0.98 0.04 -1.26 0.77 135.00 141.56 2wdj s PRO 87 Ca 0.00 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.13 2wdj s PRO 87 Cb -0.15 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 2wdj s PRO 87 CO -0.10 0.37 0.04 1.03 0.04 0.00 0.00 177.00 178.37 2wdj s ARG 88 N -1.95 1.95 0.94 4.56 1.81 -1.26 -4.78 118.95 120.22 2wdj s ARG 88 Ca 0.45 -2.16 -0.15 0.00 -1.72 0.00 0.00 55.73 52.16 2wdj s ARG 88 Cb -0.18 -1.28 -0.04 0.00 -0.45 0.00 0.00 34.95 33.00 2wdj s ARG 88 CO 0.22 -0.23 -0.03 0.00 -0.68 0.00 0.00 175.30 174.58 2wdj n ALA 89 N -0.98 -3.57 -2.87 2.13 0.00 -1.26 -2.56 120.51 111.40 2wdj n ALA 89 Ca -0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 2wdj n ALA 89 Cb 0.67 -1.56 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 2wdj n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdj n ARG 90 N -0.06 -2.72 -1.51 0.00 1.74 -1.26 -1.53 116.66 111.31 2wdj n ARG 90 Ca 0.04 0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.37 2wdj n ARG 90 Cb 0.54 -4.99 -0.05 0.00 -1.02 0.00 0.00 32.46 26.94 2wdj n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdj n GLY 91 N -0.86 1.17 0.00 -0.13 0.00 -1.10 -4.98 105.19 99.29 2wdj n GLY 91 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2wdj n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdj n ARG 92 N -2.56 0.00 -1.46 1.61 0.63 -0.58 -4.88 116.66 109.42 2wdj n ARG 92 Ca -0.14 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 2wdj n ARG 92 Cb 0.46 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.14 2wdj n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdj n ALA 93 N -1.44 -2.91 -2.59 5.13 0.00 -1.26 -4.82 120.51 112.61 2wdj n ALA 93 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2wdj n ALA 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wdj n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wdj s ASP 94 N 0.00 5.46 -0.43 0.00 -0.00 0.23 -4.90 116.67 117.03 2wdj s ASP 94 Ca 0.00 -0.38 -0.07 0.00 -0.00 0.00 0.00 52.55 52.10 2wdj s ASP 94 Cb 0.00 -1.14 0.11 0.00 -0.00 0.00 0.00 42.92 41.89 2wdj s ASP 94 CO 0.00 -0.28 0.27 0.27 -0.00 0.00 0.00 175.17 175.43 2wdj s ILE 95 N -2.24 3.84 0.77 0.77 -4.36 -1.26 0.11 121.20 118.82 2wdj s ILE 95 Ca 0.39 -1.80 -0.12 0.00 -0.26 0.00 0.00 60.65 58.86 2wdj s ILE 95 Cb -0.07 -3.52 0.06 0.00 1.25 0.00 0.00 42.46 40.18 2wdj s ILE 95 CO 0.27 -0.67 1.13 -0.51 0.24 0.00 0.00 174.94 175.39 2wdj s ILE 96 N 1.29 2.84 -0.54 8.37 1.10 -0.61 -4.81 121.20 128.84 2wdj s ILE 96 Ca 0.06 0.33 0.07 0.00 -0.51 0.00 0.00 60.65 60.59 2wdj s ILE 96 Cb -0.24 -2.74 0.29 0.00 0.15 0.00 0.00 42.46 39.92 2wdj s ILE 96 CO -0.02 -0.30 0.78 0.29 -2.11 0.00 0.00 174.94 173.58 2wdj n LYS 97 N -3.24 2.27 -1.51 3.50 5.02 -1.26 -1.56 118.16 121.38 2wdj n LYS 97 Ca 0.11 -4.33 -0.32 0.00 -2.02 0.00 0.00 58.31 51.75 2wdj n LYS 97 Cb 0.52 -2.01 -0.15 0.00 -0.02 0.00 0.00 35.03 33.37 2wdj n LYS 97 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wdj n LYS 98 N 0.48 0.19 -1.52 1.97 4.76 -0.74 -4.64 118.16 118.65 2wdj n LYS 98 Ca 0.28 -0.08 -0.29 0.00 -2.87 0.00 0.00 58.31 55.35 2wdj n LYS 98 Cb 0.46 -1.79 0.14 0.00 -1.84 0.00 0.00 35.03 31.99 2wdj n LYS 98 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wdj s ARG 99 N 8.25 1.14 0.01 1.97 0.52 -1.26 -1.12 118.95 128.46 2wdj s ARG 99 Ca 1.26 0.31 0.01 0.00 -0.52 0.00 0.00 55.73 56.79 2wdj s ARG 99 Cb -0.88 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 2wdj s ARG 99 CO 0.45 -2.20 -0.03 -0.08 0.02 0.00 0.00 175.30 173.46 2wdj s THR 100 N -3.26 0.19 0.25 0.02 -1.32 -1.26 -3.44 115.64 106.83 2wdj s THR 100 Ca 0.64 -0.54 0.09 0.00 -1.21 0.00 0.00 61.69 60.66 2wdj s THR 100 Cb -0.15 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 2wdj s THR 100 CO 0.54 -0.23 0.04 -0.44 -2.21 0.00 0.00 174.62 172.32 2wdj s SER 101 N -0.81 4.79 -0.48 8.08 0.01 -1.04 0.12 113.70 124.37 2wdj s SER 101 Ca -0.07 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.70 2wdj s SER 101 Cb -0.06 -0.99 0.14 0.00 0.21 0.00 0.00 66.02 65.32 2wdj s SER 101 CO -0.00 0.01 0.28 -1.00 0.41 0.00 0.00 173.24 172.93 2wdj s HIS 102 N -2.19 2.32 -0.37 2.43 3.76 0.23 -0.05 115.29 121.42 2wdj s HIS 102 Ca 0.31 -2.66 -0.27 0.00 -0.15 0.00 0.00 55.06 52.29 2wdj s HIS 102 Cb -0.07 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.56 2wdj s HIS 102 CO 0.21 -0.75 1.01 0.42 -0.85 0.00 0.00 174.74 174.77 2wdj s ILE 103 N 0.00 4.50 -0.21 0.60 1.01 -0.84 -1.46 121.20 124.80 2wdj s ILE 103 Ca 0.19 1.35 -0.04 0.00 0.00 0.00 0.00 60.65 62.16 2wdj s ILE 103 Cb -0.20 -4.41 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 2wdj s ILE 103 CO -0.03 -0.60 -0.04 -0.89 0.00 0.00 0.00 174.94 173.37 2wdj s THR 104 N 3.69 3.41 -0.16 2.92 2.01 -0.96 -0.29 115.64 126.26 2wdj s THR 104 Ca 0.42 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.94 2wdj s THR 104 Cb -0.11 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.87 2wdj s THR 104 CO 0.20 0.43 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.69 2wdj s VAL 105 N 1.35 2.34 -0.30 3.82 1.01 -1.26 -2.75 120.40 124.62 2wdj s VAL 105 Ca 0.04 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2wdj s VAL 105 Cb -0.14 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.35 2wdj s VAL 105 CO -0.02 0.53 -0.00 0.27 0.00 0.00 0.00 175.10 175.87 2wdj s ILE 106 N 0.98 1.97 0.65 2.22 -4.36 -0.45 -1.70 121.20 120.51 2wdj s ILE 106 Ca -0.03 -1.87 -0.14 0.00 -0.26 0.00 0.00 60.65 58.35 2wdj s ILE 106 Cb -0.15 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.23 2wdj s ILE 106 CO -0.04 -0.38 1.07 -0.76 0.24 0.00 0.00 174.94 175.07 2wdj s LEU 107 N 1.11 3.33 0.26 0.37 1.02 0.12 -1.94 118.68 122.95 2wdj s LEU 107 Ca 0.03 1.78 0.03 0.00 0.02 0.00 0.00 54.13 55.99 2wdj s LEU 107 Cb -0.19 -4.52 -0.04 0.00 0.02 0.00 0.00 46.19 41.46 2wdj s LEU 107 CO -0.09 -1.41 0.18 -0.83 0.02 0.00 0.00 176.35 174.23 2wdj s GLY 108 N -3.11 1.86 0.55 -3.19 0.00 0.06 -1.56 107.32 101.92 2wdj s GLY 108 Ca 0.62 -1.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 2wdj s GLY 108 CO 0.45 -1.46 0.89 -0.54 0.00 0.00 0.00 173.10 172.43 2wdj s GLU 109 N -3.86 3.40 0.00 2.90 0.41 -1.26 -2.61 118.70 117.68 2wdj s GLU 109 Ca 0.39 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 55.26 2wdj s GLU 109 Cb 0.05 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 2wdj s GLU 109 CO 0.18 -0.44 0.26 1.17 -0.49 0.00 0.00 175.26 175.94 2wdj n LYS 110 N -2.49 0.00 0.00 1.61 3.00 0.60 -4.79 118.16 116.10 2wdj n LYS 110 Ca 0.03 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2wdj n LYS 110 Cb 0.55 -0.82 0.00 0.00 0.00 0.00 0.00 35.03 34.76 2wdj n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2wdj n HIS 111 N -0.81 0.00 0.00 5.64 1.44 -1.26 -5.08 115.22 115.15 2wdj n HIS 111 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2wdj n HIS 111 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2wdj n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wdj n GLY 112 N -0.48 0.45 0.00 -1.39 0.00 -1.26 -5.24 105.19 97.27 2wdj n GLY 112 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2wdj n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60