#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj s GLU 2 N 0.00 0.29 -0.09 2.12 -1.05 -1.26 -4.63 118.70 114.07 2wrj s GLU 2 Ca 0.00 0.49 -0.10 0.00 -0.15 0.00 0.00 54.97 55.21 2wrj s GLU 2 Cb 0.00 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.70 2wrj s GLU 2 CO 0.00 -0.06 0.23 0.00 0.95 0.00 0.00 175.26 176.38 2wrj s ALA 3 N 1.25 3.78 0.57 -0.84 0.00 -1.26 -4.98 121.76 120.30 2wrj s ALA 3 Ca -0.09 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.44 2wrj s ALA 3 Cb -0.03 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 21.02 2wrj s ALA 3 CO -0.13 0.49 0.79 0.21 0.00 0.00 0.00 175.76 177.12 2wrj s LYS 4 N -0.79 2.29 0.00 0.00 2.20 -1.26 -2.32 119.74 119.86 2wrj s LYS 4 Ca 0.17 -1.42 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 2wrj s LYS 4 Cb -0.13 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2wrj s LYS 4 CO 0.06 -0.86 0.00 0.00 -0.36 0.00 0.00 175.35 174.19 2wrj n ALA 5 N -2.29 0.00 -0.30 3.13 0.00 -0.18 -4.51 120.51 116.35 2wrj n ALA 5 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2wrj n ALA 5 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2wrj n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wrj n ILE 6 N 0.00 -0.80 -3.73 0.00 5.41 -1.21 -4.86 119.36 114.16 2wrj n ILE 6 Ca 0.00 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.47 2wrj n ILE 6 Cb 0.00 -1.01 -0.12 0.00 -0.71 0.00 0.00 39.64 37.80 2wrj n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrj s ALA 7 N 0.00 2.75 1.00 -1.39 0.00 0.16 -4.95 121.76 119.33 2wrj s ALA 7 Ca 0.00 -3.13 -0.12 0.00 0.00 0.00 0.00 51.96 48.71 2wrj s ALA 7 Cb 0.00 -1.96 0.19 0.00 0.00 0.00 0.00 23.12 21.35 2wrj s ALA 7 CO 0.00 -2.05 1.08 1.03 0.00 0.00 0.00 175.76 175.82 2wrj s ARG 8 N -0.51 0.39 -0.68 0.00 0.52 -1.26 -1.77 118.95 115.64 2wrj s ARG 8 Ca 0.24 0.65 -0.12 0.00 -0.52 0.00 0.00 55.73 55.98 2wrj s ARG 8 Cb -0.10 -1.72 0.02 0.00 0.52 0.00 0.00 34.95 33.67 2wrj s ARG 8 CO -0.11 -2.79 0.60 0.66 0.02 0.00 0.00 175.30 173.67 2wrj n TYR 9 N -4.24 -2.14 -0.01 -0.53 4.02 -0.75 -4.86 117.16 108.65 2wrj n TYR 9 Ca 0.05 0.89 -0.21 0.00 -0.01 0.00 0.00 57.90 58.62 2wrj n TYR 9 Cb 0.56 -2.32 -0.13 0.00 -0.02 0.00 0.00 39.34 37.43 2wrj n TYR 9 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2wrj h VAL 10 N 0.48 0.90 -2.43 -0.72 2.07 -0.28 -3.47 116.25 112.79 2wrj h VAL 10 Ca -0.60 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 64.58 2wrj h VAL 10 Cb 1.35 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 2wrj h VAL 10 CO 0.31 0.68 0.00 -1.14 0.02 0.00 0.00 177.57 177.44 2wrj n ARG 11 N -3.91 0.00 -3.55 1.57 0.00 -1.26 -4.89 116.66 104.62 2wrj n ARG 11 Ca -0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.43 2wrj n ARG 11 Cb 0.90 -1.44 -0.06 0.00 0.00 0.00 0.00 32.46 31.86 2wrj n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2wrj s ILE 12 N -2.84 0.00 0.43 5.15 2.07 -1.25 -4.98 121.20 119.78 2wrj s ILE 12 Ca 0.00 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.99 2wrj s ILE 12 Cb 0.00 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.51 2wrj s ILE 12 CO 0.00 0.00 1.26 -0.55 -1.91 0.00 0.00 174.94 173.74 2wrj s SER 13 N -1.11 6.23 0.00 4.50 0.15 -1.26 -3.42 113.70 118.79 2wrj s SER 13 Ca -0.06 2.54 -0.01 0.00 0.70 0.00 0.00 55.95 59.12 2wrj s SER 13 Cb -0.00 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2wrj s SER 13 CO 0.05 -0.90 1.02 -0.65 1.20 0.00 0.00 173.24 173.96 2wrj h PRO 14 N 2.44 -0.03 -1.22 5.44 0.11 -1.94 -2.57 132.00 134.23 2wrj h PRO 14 Ca -0.49 0.00 0.39 0.00 0.11 0.00 0.00 66.00 66.01 2wrj h PRO 14 Cb 1.25 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 2wrj h PRO 14 CO 0.62 -0.02 0.78 0.00 -0.21 0.00 0.00 178.00 179.16 2wrj h ARG 15 N -0.03 0.16 0.28 1.05 3.08 -1.94 0.16 114.38 117.13 2wrj h ARG 15 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2wrj h ARG 15 Cb 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2wrj h ARG 15 CO 0.00 0.11 -0.13 0.87 -1.07 0.00 0.00 179.97 179.75 2wrj h LYS 16 N 0.17 -0.36 0.06 0.04 1.57 -1.90 -3.28 116.57 112.87 2wrj h LYS 16 Ca 0.76 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.56 2wrj h LYS 16 Cb 2.26 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.65 2wrj h LYS 16 CO -0.42 -0.19 -0.03 0.28 -0.57 0.00 0.00 179.45 178.52 2wrj h VAL 17 N -0.44 1.17 -1.40 0.50 2.07 -0.34 -3.16 116.25 114.65 2wrj h VAL 17 Ca -0.04 -0.84 0.41 0.00 0.82 0.00 0.00 66.70 67.05 2wrj h VAL 17 Cb 0.33 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2wrj h VAL 17 CO 0.06 0.21 1.18 0.54 0.02 0.00 0.00 177.57 179.58 2wrj n ARG 18 N -4.95 0.01 -0.38 1.57 1.74 -0.43 0.59 116.66 114.81 2wrj n ARG 18 Ca -0.08 0.93 -0.01 0.00 -0.77 0.00 0.00 57.85 57.91 2wrj n ARG 18 Cb 0.21 -2.21 0.12 0.00 -1.02 0.00 0.00 32.46 29.57 2wrj n ARG 18 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wrj h LEU 19 N 0.00 1.14 0.00 0.55 4.07 -1.61 -1.76 115.31 117.70 2wrj h LEU 19 Ca 0.67 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.51 2wrj h LEU 19 Cb 3.02 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 44.47 2wrj h LEU 19 CO -0.01 0.81 -0.49 -0.37 -1.08 0.00 0.00 178.44 177.30 2wrj h VAL 20 N 1.34 1.40 0.00 1.22 -1.51 -0.07 -3.15 116.25 115.47 2wrj h VAL 20 Ca 0.38 -2.24 0.00 0.00 -1.23 0.00 0.00 66.70 63.61 2wrj h VAL 20 Cb -0.10 2.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 2wrj h VAL 20 CO -0.10 0.47 0.40 0.58 -1.23 0.00 0.00 177.57 177.70 2wrj h VAL 21 N -1.00 0.00 0.00 7.19 2.07 -1.50 1.74 116.25 124.75 2wrj h VAL 21 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2wrj h VAL 21 Cb 1.09 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2wrj h VAL 21 CO -0.08 0.00 -1.91 0.47 0.02 0.00 0.00 177.57 176.07 2wrj n ASP 22 N -2.23 0.21 0.00 0.57 10.43 -0.66 -3.63 116.55 121.23 2wrj n ASP 22 Ca -0.01 -0.06 0.13 0.00 2.57 0.00 0.00 54.79 57.42 2wrj n ASP 22 Cb 0.42 1.91 0.59 0.00 1.84 0.00 0.00 41.12 45.88 2wrj n ASP 22 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2wrj n LEU 23 N -2.19 0.00 -0.00 0.64 7.94 0.59 -3.82 117.00 120.16 2wrj n LEU 23 Ca -0.03 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2wrj n LEU 23 Cb 0.54 -0.46 -0.01 0.00 0.53 0.00 0.00 43.42 44.02 2wrj n LEU 23 CO 0.44 -0.04 -0.41 2.30 -1.11 0.00 0.00 177.39 178.56 2wrj n ILE 24 N -1.46 0.00 -1.43 1.96 -5.35 -1.04 -5.03 119.36 107.02 2wrj n ILE 24 Ca 0.08 -0.11 -0.48 0.00 -0.27 0.00 0.00 62.75 61.97 2wrj n ILE 24 Cb 0.29 0.58 -0.11 0.00 -1.74 0.00 0.00 39.64 38.66 2wrj n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2wrj n ARG 25 N -1.44 0.36 -0.91 6.28 0.63 -1.24 -2.62 116.66 117.73 2wrj n ARG 25 Ca -0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2wrj n ARG 25 Cb 0.02 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 30.98 2wrj n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wrj n GLY 26 N 6.72 0.57 2.98 5.14 0.00 -0.41 -5.05 105.19 115.15 2wrj n GLY 26 Ca 0.54 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 2wrj n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s LYS 27 N -1.36 0.28 0.33 1.61 1.02 -1.08 -4.87 119.74 115.67 2wrj s LYS 27 Ca 0.00 -0.45 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 2wrj s LYS 27 Cb 0.00 0.10 -0.13 0.00 -0.52 0.00 0.00 37.83 37.28 2wrj s LYS 27 CO 0.00 -0.05 0.82 -1.13 -0.92 0.00 0.00 175.35 174.07 2wrj n SER 28 N 1.88 0.39 0.22 2.83 3.41 -1.26 -1.62 113.62 119.46 2wrj n SER 28 Ca -0.21 1.08 0.12 0.00 -0.26 0.00 0.00 58.87 59.60 2wrj n SER 28 Cb 0.56 -1.21 0.64 0.00 -0.26 0.00 0.00 64.21 63.94 2wrj n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2wrj h LEU 29 N 1.48 0.00 0.15 1.04 5.85 -1.52 -1.26 115.31 121.05 2wrj h LEU 29 Ca -0.39 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2wrj h LEU 29 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2wrj h LEU 29 CO 0.57 0.00 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.52 2wrj h GLU 30 N 0.00 -0.20 -0.67 1.25 4.81 -1.85 -3.19 114.58 114.73 2wrj h GLU 30 Ca 0.00 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.38 2wrj h GLU 30 Cb 0.32 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.62 2wrj h GLU 30 CO 0.00 -0.13 -0.10 0.93 -0.73 0.00 0.00 179.01 178.98 2wrj h GLU 31 N -0.35 0.04 -0.33 1.92 5.08 -1.59 -2.59 114.58 116.75 2wrj h GLU 31 Ca -0.02 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2wrj h GLU 31 Cb 0.16 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2wrj h GLU 31 CO 0.03 0.03 -0.22 0.00 -1.00 0.00 0.00 179.01 177.85 2wrj h ALA 32 N 1.65 -0.27 -1.05 3.43 0.00 -1.43 0.72 119.26 122.32 2wrj h ALA 32 Ca 0.34 0.04 0.28 0.00 0.00 0.00 0.00 54.91 55.57 2wrj h ALA 32 Cb 0.54 1.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 2wrj h ALA 32 CO -0.65 -0.42 0.71 0.00 0.00 0.00 0.00 179.25 178.90 2wrj h ARG 33 N -0.03 0.22 0.01 0.00 3.08 -1.44 0.21 114.38 116.43 2wrj h ARG 33 Ca 0.05 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.89 2wrj h ARG 33 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2wrj h ARG 33 CO -0.33 0.15 -0.90 -0.91 -1.07 0.00 0.00 179.97 176.91 2wrj h ASN 34 N 0.23 0.21 0.24 7.04 4.21 -0.90 0.27 115.58 126.88 2wrj h ASN 34 Ca 0.56 -0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.88 2wrj h ASN 34 Cb 1.73 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.87 2wrj h ASN 34 CO -0.17 1.00 -0.12 0.40 -1.29 0.00 0.00 177.43 177.25 2wrj h ILE 35 N 0.08 0.00 -0.04 2.81 1.08 0.15 -2.45 117.51 119.13 2wrj h ILE 35 Ca -0.04 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 2wrj h ILE 35 Cb 1.54 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 2wrj h ILE 35 CO 0.13 0.00 0.12 -0.07 -0.69 0.00 0.00 178.15 177.65 2wrj h LEU 36 N -0.46 0.00 0.73 1.44 3.38 -1.20 -1.85 115.31 117.37 2wrj h LEU 36 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2wrj h LEU 36 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2wrj h LEU 36 CO 0.05 0.00 -0.35 -0.09 0.09 0.00 0.00 178.44 178.14 2wrj h ARG 37 N 0.00 -0.95 -2.40 1.13 9.65 -0.29 -3.34 114.38 118.17 2wrj h ARG 37 Ca 0.02 0.06 -0.67 0.00 -1.10 0.00 0.00 59.98 58.29 2wrj h ARG 37 Cb 0.27 0.22 -0.37 0.00 -1.39 0.00 0.00 29.97 28.69 2wrj h ARG 37 CO -0.00 -0.62 -0.09 0.66 2.80 0.00 0.00 179.97 182.73 2wrj n TYR 38 N -5.48 3.27 -4.07 2.20 4.01 -0.71 -5.00 117.16 111.37 2wrj n TYR 38 Ca -0.14 -3.57 -0.25 0.00 -0.16 0.00 0.00 57.90 53.78 2wrj n TYR 38 Cb 0.40 -0.79 -0.17 0.00 -0.31 0.00 0.00 39.34 38.48 2wrj n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wrj s THR 39 N -3.08 0.92 -1.25 -0.72 2.01 -1.12 -4.93 115.64 107.46 2wrj s THR 39 Ca 0.39 -0.26 -0.19 0.00 0.31 0.00 0.00 61.69 61.93 2wrj s THR 39 Cb 0.15 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.77 2wrj s THR 39 CO -0.01 0.34 1.76 0.20 -0.69 0.00 0.00 174.62 176.21 2wrj s ASN 40 N 1.41 6.43 -0.29 3.53 -0.87 -1.26 -4.80 114.94 119.10 2wrj s ASN 40 Ca -0.01 -2.18 -0.16 0.00 -1.57 0.00 0.00 52.86 48.94 2wrj s ASN 40 Cb -0.13 -2.58 0.13 0.00 -0.02 0.00 0.00 41.25 38.64 2wrj s ASN 40 CO -0.04 -1.59 0.88 -0.54 -2.57 0.00 0.00 177.10 173.23 2wrj s LYS 41 N 4.77 0.47 0.00 -0.60 -0.14 -1.26 -4.98 119.74 118.00 2wrj s LYS 41 Ca 0.56 0.87 0.00 0.00 -1.36 0.00 0.00 55.97 56.05 2wrj s LYS 41 Cb 0.03 0.18 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 2wrj s LYS 41 CO 0.07 -0.11 0.96 -2.13 -0.76 0.00 0.00 175.35 173.38 2wrj n ARG 42 N 4.12 0.00 0.01 1.68 0.63 -1.26 -1.37 116.66 120.46 2wrj n ARG 42 Ca -0.18 0.46 -0.18 0.00 -0.92 0.00 0.00 57.85 57.03 2wrj n ARG 42 Cb 0.57 -1.52 -0.11 0.00 0.45 0.00 0.00 32.46 31.85 2wrj n ARG 42 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2wrj h GLY 43 N 0.00 0.49 0.00 5.14 0.00 -1.94 -3.37 103.07 103.39 2wrj h GLY 43 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 2wrj h GLY 43 CO 0.00 0.76 0.00 0.00 0.00 0.00 0.00 176.54 177.30 2wrj n ALA 44 N -2.59 0.00 -0.14 3.60 0.00 -0.47 -0.68 120.51 120.23 2wrj n ALA 44 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 2wrj n ALA 44 Cb 0.69 0.42 -0.03 0.00 0.00 0.00 0.00 19.45 20.53 2wrj n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wrj n TYR 45 N -2.46 -0.14 -0.17 0.00 9.36 -1.26 0.16 117.16 122.64 2wrj n TYR 45 Ca 0.00 0.41 -0.05 0.00 3.32 0.00 0.00 57.90 61.58 2wrj n TYR 45 Cb 0.00 -0.45 0.05 0.00 -0.63 0.00 0.00 39.34 38.31 2wrj n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2wrj h PHE 46 N 0.00 0.53 0.00 2.98 0.04 -1.46 0.69 116.94 119.73 2wrj h PHE 46 Ca 0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2wrj h PHE 46 Cb 0.13 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2wrj h PHE 46 CO -0.46 0.28 0.00 0.28 -0.60 0.00 0.00 178.31 177.82 2wrj n VAL 47 N -4.84 0.89 -0.08 -0.55 0.31 0.41 -1.60 118.33 112.88 2wrj n VAL 47 Ca 0.04 0.24 -0.23 0.00 -0.01 0.00 0.00 64.34 64.39 2wrj n VAL 47 Cb 0.11 -1.11 -0.12 0.00 -0.91 0.00 0.00 33.84 31.81 2wrj n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrj n ALA 48 N -1.68 0.95 -0.07 3.52 0.00 0.12 -2.92 120.51 120.43 2wrj n ALA 48 Ca 0.03 -0.69 0.12 0.00 0.00 0.00 0.00 53.44 52.90 2wrj n ALA 48 Cb 0.21 -0.42 0.52 0.00 0.00 0.00 0.00 19.45 19.76 2wrj n ALA 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrj h LYS 49 N -0.63 0.36 0.15 0.00 3.64 -0.75 0.34 116.57 119.68 2wrj h LYS 49 Ca -0.46 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 58.61 2wrj h LYS 49 Cb 1.61 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2wrj h LYS 49 CO -0.16 0.24 -1.29 -0.24 -2.27 0.00 0.00 179.45 175.73 2wrj h VAL 50 N 0.37 1.46 -0.56 2.00 3.04 -1.45 -3.23 116.25 117.88 2wrj h VAL 50 Ca 0.27 -3.01 -0.03 0.00 -1.01 0.00 0.00 66.70 62.92 2wrj h VAL 50 Cb 0.57 2.96 -0.03 0.00 -2.01 0.00 0.00 31.29 32.78 2wrj h VAL 50 CO -0.07 0.88 0.22 0.25 -1.01 0.00 0.00 177.57 177.84 2wrj h LEU 51 N 0.09 0.75 -0.37 3.16 7.12 -0.87 -2.75 115.31 122.43 2wrj h LEU 51 Ca -0.16 -0.10 -0.19 0.00 0.13 0.00 0.00 57.88 57.57 2wrj h LEU 51 Cb 2.01 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.93 2wrj h LEU 51 CO 0.22 0.68 -0.81 -0.33 -0.13 0.00 0.00 178.44 178.06 2wrj h GLU 52 N 0.81 0.21 0.00 1.25 3.07 -1.24 -0.69 114.58 117.99 2wrj h GLU 52 Ca 0.19 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2wrj h GLU 52 Cb 0.17 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2wrj h GLU 52 CO -0.02 0.91 0.00 1.03 -1.40 0.00 0.00 179.01 179.53 2wrj h SER 53 N 0.13 0.00 0.46 1.42 0.87 -1.53 0.98 113.55 115.88 2wrj h SER 53 Ca -0.03 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 2wrj h SER 53 Cb 1.41 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 2wrj h SER 53 CO 0.12 0.00 -1.62 0.00 -0.53 0.00 0.00 176.83 174.80 2wrj n ALA 54 N -1.80 2.32 0.00 6.23 0.00 -0.85 -3.28 120.51 123.12 2wrj n ALA 54 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 53.44 52.83 2wrj n ALA 54 Cb 0.22 -0.83 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 2wrj n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrj h ALA 55 N 1.71 0.70 0.55 0.00 0.00 -0.45 -3.27 119.26 118.50 2wrj h ALA 55 Ca -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 54.91 53.48 2wrj h ALA 55 Cb 1.32 0.35 0.01 0.00 0.00 0.00 0.00 17.79 19.47 2wrj h ALA 55 CO 0.02 1.43 -0.26 0.00 0.00 0.00 0.00 179.25 180.44 2wrj h ALA 56 N 1.06 -0.74 0.00 0.00 0.00 -0.98 -2.91 119.26 115.69 2wrj h ALA 56 Ca -0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wrj h ALA 56 Cb 1.91 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.99 2wrj h ALA 56 CO 0.08 -0.72 0.01 0.09 0.00 0.00 0.00 179.25 178.71 2wrj n ASN 57 N -5.28 0.00 -0.10 0.00 5.03 -1.21 -1.99 115.26 111.71 2wrj n ASN 57 Ca -0.10 0.15 -0.16 0.00 0.87 0.00 0.00 54.58 55.34 2wrj n ASN 57 Cb 0.32 -0.15 -0.07 0.00 -1.02 0.00 0.00 39.78 38.86 2wrj n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wrj n ALA 58 N -1.12 0.76 -0.03 5.41 0.00 -1.12 -2.95 120.51 121.46 2wrj n ALA 58 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 53.44 52.75 2wrj n ALA 58 Cb 0.01 -0.17 0.03 0.00 0.00 0.00 0.00 19.45 19.33 2wrj n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrj n VAL 59 N -4.46 1.90 0.01 0.00 0.31 -0.84 0.12 118.33 115.35 2wrj n VAL 59 Ca -0.25 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 2wrj n VAL 59 Cb 0.56 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 2wrj n VAL 59 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wrj n ASN 60 N 0.46 -0.07 0.08 4.52 2.85 -0.92 -4.70 115.26 117.48 2wrj n ASN 60 Ca 0.15 0.03 -0.11 0.00 -0.11 0.00 0.00 54.58 54.54 2wrj n ASN 60 Cb 0.68 0.24 -0.06 0.00 1.24 0.00 0.00 39.78 41.88 2wrj n ASN 60 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 2wrj h ASN 61 N 0.00 0.28 -0.01 1.20 -0.26 -1.71 -3.32 115.58 111.76 2wrj h ASN 61 Ca 0.00 -0.26 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 2wrj h ASN 61 Cb 0.00 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 2wrj h ASN 61 CO 0.00 1.11 0.00 1.41 -1.06 0.00 0.00 177.43 178.89 2wrj n HIS 62 N -3.59 0.02 0.00 1.19 8.25 -1.19 -5.05 115.22 114.84 2wrj n HIS 62 Ca -0.04 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 2wrj n HIS 62 Cb 0.88 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2wrj n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wrj n ASP 63 N -0.24 0.00 -0.02 0.41 5.75 0.31 -4.90 116.55 117.85 2wrj n ASP 63 Ca 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.80 2wrj n ASP 63 Cb 0.16 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.27 2wrj n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wrj n MET 64 N 1.06 2.20 -1.73 0.11 2.81 -0.87 -4.92 117.12 115.78 2wrj n MET 64 Ca 0.00 -1.43 -0.01 0.00 -1.81 0.00 0.00 57.70 54.44 2wrj n MET 64 Cb 0.00 -0.96 -0.01 0.00 -0.71 0.00 0.00 33.22 31.54 2wrj n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wrj n LEU 65 N -0.51 -3.62 -0.06 4.03 7.94 -1.26 -4.73 117.00 118.79 2wrj n LEU 65 Ca 0.02 0.95 -0.09 0.00 -1.11 0.00 0.00 56.01 55.79 2wrj n LEU 65 Cb 0.35 -1.85 -0.02 0.00 0.53 0.00 0.00 43.42 42.43 2wrj n LEU 65 CO 0.00 -1.33 0.66 -0.08 -1.11 0.00 0.00 177.39 175.53 2wrj h GLU 66 N 1.55 -0.28 -0.29 1.96 4.81 -1.96 -2.49 114.58 117.89 2wrj h GLU 66 Ca -0.12 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2wrj h GLU 66 Cb 0.28 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2wrj h GLU 66 CO 0.00 -0.19 0.83 -0.44 -0.73 0.00 0.00 179.01 178.48 2wrj h ASP 67 N -0.29 0.00 -0.83 1.04 3.32 -2.02 0.16 116.42 117.80 2wrj h ASP 67 Ca 0.14 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.66 2wrj h ASP 67 Cb 0.52 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.78 2wrj h ASP 67 CO -0.44 0.00 0.35 0.54 -1.72 0.00 0.00 179.24 177.97 2wrj n ARG 68 N -2.91 2.60 -4.20 3.56 1.74 -0.94 -4.96 116.66 111.55 2wrj n ARG 68 Ca 0.06 -3.37 -0.33 0.00 -0.77 0.00 0.00 57.85 53.44 2wrj n ARG 68 Cb 0.93 -2.18 -0.08 0.00 -1.02 0.00 0.00 32.46 30.12 2wrj n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wrj s LEU 69 N -3.57 3.73 -0.00 0.55 1.43 0.57 -1.59 118.68 119.79 2wrj s LEU 69 Ca 0.57 0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 53.52 2wrj s LEU 69 Cb 0.47 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2wrj s LEU 69 CO 0.03 0.30 0.57 -0.72 0.23 0.00 0.00 176.35 176.75 2wrj s TYR 70 N -1.10 -0.51 -0.49 0.29 -0.85 -0.94 -1.27 117.35 112.48 2wrj s TYR 70 Ca 0.20 0.75 -0.28 0.00 -0.52 0.00 0.00 57.07 57.22 2wrj s TYR 70 Cb -0.12 0.35 -0.00 0.00 0.38 0.00 0.00 41.96 42.57 2wrj s TYR 70 CO 0.10 -0.60 1.57 0.08 -1.52 0.00 0.00 175.55 175.19 2wrj s VAL 71 N -1.73 3.67 0.00 -3.49 1.01 -0.64 -1.54 120.40 117.68 2wrj s VAL 71 Ca -0.09 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2wrj s VAL 71 Cb -0.01 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2wrj s VAL 71 CO 0.04 -0.87 0.75 1.17 0.00 0.00 0.00 175.10 176.19 2wrj n LYS 72 N 8.58 0.00 -3.99 2.72 4.81 0.29 -1.28 118.16 129.29 2wrj n LYS 72 Ca 0.17 0.36 -0.10 0.00 -0.87 0.00 0.00 58.31 57.86 2wrj n LYS 72 Cb 0.49 -1.30 -0.12 0.00 0.02 0.00 0.00 35.03 34.13 2wrj n LYS 72 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wrj s ALA 73 N -2.79 0.21 0.06 3.14 0.00 -0.99 -4.19 121.76 117.20 2wrj s ALA 73 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 2wrj s ALA 73 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2wrj s ALA 73 CO 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 175.76 175.62 2wrj s ALA 74 N -1.19 0.62 -0.29 0.00 0.00 -1.26 -2.61 121.76 117.02 2wrj s ALA 74 Ca -0.12 -1.22 -0.34 0.00 0.00 0.00 0.00 51.96 50.28 2wrj s ALA 74 Cb -0.08 0.24 0.18 0.00 0.00 0.00 0.00 23.12 23.45 2wrj s ALA 74 CO -0.01 -0.32 1.38 1.52 0.00 0.00 0.00 175.76 178.33 2wrj s TYR 75 N -3.73 -0.01 -0.17 0.00 1.13 -1.14 -5.02 117.35 108.40 2wrj s TYR 75 Ca 0.07 0.02 -0.04 0.00 -1.41 0.00 0.00 57.07 55.71 2wrj s TYR 75 Cb 0.06 0.50 0.06 0.00 -1.10 0.00 0.00 41.96 41.48 2wrj s TYR 75 CO -0.08 -0.02 0.07 0.54 -2.51 0.00 0.00 175.55 173.55 2wrj s VAL 76 N -1.53 0.14 0.31 -3.49 0.11 -1.26 -2.11 120.40 112.57 2wrj s VAL 76 Ca 0.11 -0.27 -0.20 0.00 -2.93 0.00 0.00 61.98 58.68 2wrj s VAL 76 Cb -0.01 -0.71 -0.09 0.00 -1.53 0.00 0.00 36.38 34.03 2wrj s VAL 76 CO -0.05 -0.22 0.83 -1.81 -3.33 0.00 0.00 175.10 170.51 2wrj s ASP 77 N 2.04 7.04 0.37 3.54 1.01 -1.10 -4.89 116.67 124.68 2wrj s ASP 77 Ca 0.01 1.55 -0.24 0.00 0.71 0.00 0.00 52.55 54.58 2wrj s ASP 77 Cb -0.16 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.19 2wrj s ASP 77 CO -0.08 -0.13 0.95 -0.70 0.21 0.00 0.00 175.17 175.43 2wrj s GLU 78 N -2.46 4.42 0.50 8.23 2.12 -1.26 -1.35 118.70 128.90 2wrj s GLU 78 Ca 0.51 1.26 0.07 0.00 0.36 0.00 0.00 54.97 57.18 2wrj s GLU 78 Cb -0.14 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.73 2wrj s GLU 78 CO 0.19 0.13 0.49 0.20 -0.54 0.00 0.00 175.26 175.73 2wrj s GLY 79 N -1.82 2.14 -0.16 -1.50 0.00 -0.47 -4.79 107.32 100.71 2wrj s GLY 79 Ca 0.55 -1.69 -0.37 0.00 0.00 0.00 0.00 44.72 43.21 2wrj s GLY 79 CO 0.20 -1.79 1.77 -1.55 0.00 0.00 0.00 173.10 171.74 2wrj n PRO 80 N -1.80 1.63 -2.62 2.90 -0.04 -1.26 -4.12 135.00 129.68 2wrj n PRO 80 Ca 0.04 0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 63.75 2wrj n PRO 80 Cb 0.63 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 2wrj n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrj s ALA 81 N 3.47 3.02 -0.27 0.55 0.00 -1.26 -4.53 121.76 122.73 2wrj s ALA 81 Ca 0.94 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 2wrj s ALA 81 Cb -0.89 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 18.96 2wrj s ALA 81 CO 0.58 -0.14 0.37 -0.51 0.00 0.00 0.00 175.76 176.05 2wrj s LEU 82 N -2.94 4.06 0.27 0.00 1.02 -0.13 -4.93 118.68 116.03 2wrj s LEU 82 Ca 0.61 0.25 -0.29 0.00 0.02 0.00 0.00 54.13 54.71 2wrj s LEU 82 Cb -0.17 -2.41 -0.09 0.00 0.02 0.00 0.00 46.19 43.54 2wrj s LEU 82 CO 0.22 -0.19 0.97 -0.54 0.02 0.00 0.00 176.35 176.83 2wrj s LYS 83 N 2.06 4.74 -0.00 1.70 -0.14 -1.26 -0.21 119.74 126.62 2wrj s LYS 83 Ca 0.14 1.50 -0.13 0.00 -1.36 0.00 0.00 55.97 56.13 2wrj s LYS 83 Cb -0.16 -3.13 0.02 0.00 -1.68 0.00 0.00 37.83 32.88 2wrj s LYS 83 CO 0.10 0.39 0.26 1.03 -0.76 0.00 0.00 175.35 176.37 2wrj s ARG 84 N -1.46 0.63 -0.06 1.68 1.81 -0.83 -4.92 118.95 115.80 2wrj s ARG 84 Ca 0.44 -0.28 -0.12 0.00 -1.72 0.00 0.00 55.73 54.05 2wrj s ARG 84 Cb -0.25 0.27 -0.05 0.00 -0.45 0.00 0.00 34.95 34.47 2wrj s ARG 84 CO 0.31 -0.17 0.31 0.08 -0.68 0.00 0.00 175.30 175.15 2wrj s VAL 85 N -1.45 5.22 -0.22 3.52 1.01 -1.26 0.24 120.40 127.45 2wrj s VAL 85 Ca -0.13 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2wrj s VAL 85 Cb -0.06 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.77 2wrj s VAL 85 CO 0.03 0.56 -0.12 -0.22 0.00 0.00 0.00 175.10 175.36 2wrj s LEU 86 N -0.83 2.61 -0.20 3.92 2.96 0.38 -4.87 118.68 122.66 2wrj s LEU 86 Ca 0.20 -1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 52.80 2wrj s LEU 86 Cb -0.15 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 2wrj s LEU 86 CO 0.09 -0.14 1.67 -2.84 -1.32 0.00 0.00 176.35 173.81 2wrj s PRO 87 N 1.30 3.79 0.47 0.98 0.02 -1.26 -0.71 135.00 139.58 2wrj s PRO 87 Ca -0.03 1.76 0.03 0.00 0.02 0.00 0.00 61.00 62.79 2wrj s PRO 87 Cb -0.17 -4.06 0.01 0.00 0.02 0.00 0.00 34.50 30.30 2wrj s PRO 87 CO -0.08 -1.31 0.67 1.03 -0.33 0.00 0.00 177.00 176.98 2wrj s ARG 88 N 4.74 2.79 0.52 5.54 3.00 -1.26 -4.86 118.95 129.41 2wrj s ARG 88 Ca 0.74 -0.86 -0.22 0.00 0.00 0.00 0.00 55.73 55.39 2wrj s ARG 88 Cb -0.27 -2.61 -0.06 0.00 0.00 0.00 0.00 34.95 32.02 2wrj s ARG 88 CO 0.30 -0.42 1.27 0.00 0.00 0.00 0.00 175.30 176.45 2wrj s ALA 89 N -2.55 2.84 -1.17 2.13 0.00 -1.26 -3.09 121.76 118.67 2wrj s ALA 89 Ca 0.53 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.63 2wrj s ALA 89 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2wrj s ALA 89 CO 0.36 -1.08 0.10 0.54 0.00 0.00 0.00 175.76 175.68 2wrj n ARG 90 N -0.90 -1.65 -3.54 0.00 1.74 -1.26 -3.54 116.66 107.52 2wrj n ARG 90 Ca 0.10 0.67 -0.20 0.00 -0.77 0.00 0.00 57.85 57.65 2wrj n ARG 90 Cb 0.47 -4.94 0.06 0.00 -1.02 0.00 0.00 32.46 27.02 2wrj n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrj n GLY 91 N -1.08 -0.48 0.12 -0.13 0.00 -1.18 -4.96 105.19 97.49 2wrj n GLY 91 Ca -0.15 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2wrj n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrj n ARG 92 N -4.08 0.64 -2.46 1.61 0.63 -1.22 -4.98 116.66 106.81 2wrj n ARG 92 Ca -0.25 0.42 -0.03 0.00 -0.92 0.00 0.00 57.85 57.07 2wrj n ARG 92 Cb 0.66 -1.71 -0.02 0.00 0.45 0.00 0.00 32.46 31.84 2wrj n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrj n ALA 93 N -3.32 -3.53 -2.87 5.13 0.00 -1.25 -4.87 120.51 109.79 2wrj n ALA 93 Ca -0.34 1.38 -0.34 0.00 0.00 0.00 0.00 53.44 54.14 2wrj n ALA 93 Cb 0.84 -2.70 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 2wrj n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wrj s ASP 94 N -0.90 6.20 -0.30 0.00 -0.00 0.11 -4.87 116.67 116.92 2wrj s ASP 94 Ca -0.14 0.31 -0.11 0.00 -0.00 0.00 0.00 52.55 52.60 2wrj s ASP 94 Cb 0.01 -1.92 -0.04 0.00 -0.00 0.00 0.00 42.92 40.98 2wrj s ASP 94 CO 0.67 0.28 0.19 0.27 -0.00 0.00 0.00 175.17 176.58 2wrj s ILE 95 N -1.26 5.20 -0.21 0.77 -4.36 -1.26 0.14 121.20 120.23 2wrj s ILE 95 Ca 0.25 0.01 -0.14 0.00 -0.26 0.00 0.00 60.65 60.51 2wrj s ILE 95 Cb -0.12 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 2wrj s ILE 95 CO 0.16 0.17 0.29 -0.51 0.24 0.00 0.00 174.94 175.29 2wrj s ILE 96 N 1.73 5.28 -0.57 8.37 2.07 0.14 -4.88 121.20 133.33 2wrj s ILE 96 Ca 0.07 0.49 -0.23 0.00 -1.41 0.00 0.00 60.65 59.56 2wrj s ILE 96 Cb -0.16 -3.63 0.05 0.00 0.13 0.00 0.00 42.46 38.85 2wrj s ILE 96 CO 0.10 0.31 0.91 -0.54 -1.91 0.00 0.00 174.94 173.82 2wrj s LYS 97 N 1.05 3.26 -0.90 3.50 1.02 -1.26 -1.96 119.74 124.44 2wrj s LYS 97 Ca 0.14 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 55.43 2wrj s LYS 97 Cb -0.14 -4.10 0.05 0.00 -0.52 0.00 0.00 37.83 33.12 2wrj s LYS 97 CO 0.06 -1.53 1.34 0.15 -0.92 0.00 0.00 175.35 174.45 2wrj s LYS 98 N 3.83 3.43 1.17 1.68 -0.14 0.71 -4.86 119.74 125.56 2wrj s LYS 98 Ca 0.27 -0.87 -0.17 0.00 -1.36 0.00 0.00 55.97 53.83 2wrj s LYS 98 Cb -0.14 -4.88 0.22 0.00 -1.68 0.00 0.00 37.83 31.35 2wrj s LYS 98 CO 0.16 -2.13 0.44 0.54 -0.76 0.00 0.00 175.35 173.60 2wrj n ARG 99 N 8.79 -2.78 -3.91 1.68 5.12 -1.26 -0.96 116.66 123.34 2wrj n ARG 99 Ca 0.20 -0.81 -0.08 0.00 -1.93 0.00 0.00 57.85 55.23 2wrj n ARG 99 Cb 0.50 -1.72 -0.03 0.00 -1.16 0.00 0.00 32.46 30.05 2wrj n ARG 99 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2wrj s THR 100 N -2.16 0.00 0.16 0.55 -1.32 -1.24 -3.83 115.64 107.81 2wrj s THR 100 Ca 0.52 -1.15 -0.12 0.00 -1.21 0.00 0.00 61.69 59.73 2wrj s THR 100 Cb -0.11 -2.10 0.01 0.00 -1.51 0.00 0.00 72.50 68.78 2wrj s THR 100 CO 0.51 0.00 0.36 -0.44 -2.21 0.00 0.00 174.62 172.84 2wrj s SER 101 N -2.96 -0.07 -0.33 8.08 0.01 -1.22 -1.37 113.70 115.84 2wrj s SER 101 Ca 0.15 -0.67 0.02 0.00 1.31 0.00 0.00 55.95 56.77 2wrj s SER 101 Cb -0.04 0.47 0.10 0.00 0.21 0.00 0.00 66.02 66.76 2wrj s SER 101 CO 0.08 -0.92 0.08 -1.00 0.41 0.00 0.00 173.24 171.89 2wrj s HIS 102 N -3.91 2.82 -0.24 2.43 3.76 -0.46 0.37 115.29 120.06 2wrj s HIS 102 Ca 0.12 -2.45 -0.22 0.00 -0.15 0.00 0.00 55.06 52.37 2wrj s HIS 102 Cb 0.02 -2.38 -0.02 0.00 1.11 0.00 0.00 32.58 31.32 2wrj s HIS 102 CO -0.03 -0.91 0.69 0.42 -0.85 0.00 0.00 174.74 174.05 2wrj s ILE 103 N 1.18 4.94 -0.07 0.60 1.01 -0.73 -2.70 121.20 125.44 2wrj s ILE 103 Ca 0.11 1.27 0.02 0.00 0.00 0.00 0.00 60.65 62.04 2wrj s ILE 103 Cb -0.18 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 2wrj s ILE 103 CO -0.15 0.01 -0.12 -0.89 0.00 0.00 0.00 174.94 173.79 2wrj s THR 104 N 2.54 3.26 0.02 2.92 2.01 -0.90 0.40 115.64 125.90 2wrj s THR 104 Ca 0.29 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.67 2wrj s THR 104 Cb -0.15 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 2wrj s THR 104 CO 0.08 0.58 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.85 2wrj s VAL 105 N -0.58 0.43 -0.17 3.82 1.01 -1.26 -2.88 120.40 120.77 2wrj s VAL 105 Ca 0.08 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2wrj s VAL 105 Cb -0.11 -0.44 0.07 0.00 0.00 0.00 0.00 36.38 35.89 2wrj s VAL 105 CO 0.01 -0.16 0.37 0.27 0.00 0.00 0.00 175.10 175.60 2wrj s ILE 106 N -0.77 -0.33 0.00 2.22 -4.36 -1.07 -1.01 121.20 115.88 2wrj s ILE 106 Ca -0.05 0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.50 2wrj s ILE 106 Cb -0.06 -0.58 0.00 0.00 1.25 0.00 0.00 42.46 43.07 2wrj s ILE 106 CO 0.00 0.07 0.00 0.18 0.24 0.00 0.00 174.94 175.43 2wrj n LEU 107 N 4.87 0.00 -3.81 0.37 7.99 -0.98 -0.55 117.00 124.90 2wrj n LEU 107 Ca -0.15 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.82 2wrj n LEU 107 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2wrj n LEU 107 CO 0.05 -0.36 0.80 -0.83 -1.51 0.00 0.00 177.39 175.54 2wrj s GLY 108 N -1.70 -0.08 0.81 -0.72 0.00 -0.59 -4.02 107.32 101.03 2wrj s GLY 108 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.58 2wrj s GLY 108 CO 0.00 1.27 1.14 -1.83 0.00 0.00 0.00 173.10 173.68 2wrj s GLU 109 N -2.64 1.46 0.00 2.90 1.03 -1.22 -2.22 118.70 118.02 2wrj s GLU 109 Ca 0.17 -0.51 0.00 0.00 0.03 0.00 0.00 54.97 54.66 2wrj s GLU 109 Cb -0.01 -2.08 0.00 0.00 -0.80 0.00 0.00 34.13 31.24 2wrj s GLU 109 CO 0.03 -1.76 0.00 1.63 -1.33 0.00 0.00 175.26 173.83 2wrj n LYS 110 N -3.24 3.58 -0.45 -4.83 4.76 -0.62 -4.80 118.16 112.56 2wrj n LYS 110 Ca 0.12 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.32 2wrj n LYS 110 Cb 0.60 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 34.00 2wrj n LYS 110 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wrj n HIS 111 N 0.00 -2.58 0.00 2.13 8.25 -1.26 -5.04 115.22 116.72 2wrj n HIS 111 Ca 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 2wrj n HIS 111 Cb 0.00 -1.42 0.00 0.00 1.12 0.00 0.00 29.99 29.69 2wrj n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrj n GLY 112 N 2.09 1.11 0.00 -1.41 0.00 -1.26 -5.18 105.19 100.54 2wrj n GLY 112 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2wrj n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90