#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wro s LEU 3 N 0.00 3.66 -0.35 -4.42 1.43 -1.26 -1.97 118.68 115.77 1wro s LEU 3 Ca 0.00 1.93 -0.20 0.00 -1.03 0.00 0.00 54.13 54.83 1wro s LEU 3 Cb 0.00 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 1wro s LEU 3 CO 0.00 -1.06 0.63 -2.28 0.23 0.00 0.00 176.35 173.87 1wro s HIS 4 N -2.16 3.16 0.65 0.29 5.65 0.14 -4.65 115.29 118.38 1wro s HIS 4 Ca 0.67 0.38 0.22 0.00 0.25 0.00 0.00 55.06 56.57 1wro s HIS 4 Cb -0.18 -3.10 1.14 0.00 -1.18 0.00 0.00 32.58 29.26 1wro s HIS 4 CO 0.29 -0.60 1.64 1.57 -0.65 0.00 0.00 174.74 176.99 1wro h LYS 5 N 8.42 0.00 -0.36 2.88 -0.00 -1.95 2.07 116.57 127.63 1wro h LYS 5 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 1wro h LYS 5 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 1wro h LYS 5 CO 0.83 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 180.67 1wro n GLU 6 N -2.90 2.35 -2.59 0.07 -0.58 -1.26 -4.53 120.64 111.19 1wro n GLU 6 Ca 0.01 -2.06 0.01 0.00 -0.42 0.00 0.00 57.16 54.70 1wro n GLU 6 Cb 0.64 -1.37 0.05 0.00 -0.57 0.00 0.00 31.44 30.18 1wro n GLU 6 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1wro n ARG 7 N 0.98 1.41 -2.58 3.49 1.74 0.70 -5.02 116.66 117.39 1wro n ARG 7 Ca 0.15 -3.14 -0.41 0.00 -0.77 0.00 0.00 57.85 53.67 1wro n ARG 7 Cb 0.48 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.65 1wro n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wro s ARG 8 N -2.98 3.54 0.49 5.56 0.52 -1.05 -4.14 118.95 120.90 1wro s ARG 8 Ca 0.27 -1.05 0.31 0.00 -0.52 0.00 0.00 55.73 54.75 1wro s ARG 8 Cb 0.33 -5.20 1.42 0.00 0.52 0.00 0.00 34.95 32.02 1wro s ARG 8 CO -0.06 -2.18 1.78 0.97 0.02 0.00 0.00 175.30 175.82 1wro h ILE 9 N 6.67 0.41 0.32 1.52 2.10 -1.91 -0.92 117.51 125.70 1wro h ILE 9 Ca 0.14 -0.04 -0.02 0.00 1.08 0.00 0.00 64.86 66.02 1wro h ILE 9 Cb 1.02 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1wro h ILE 9 CO 1.40 0.02 -0.15 1.23 -1.08 0.00 0.00 178.15 179.57 1wro h GLY 10 N 0.12 -0.45 0.23 8.18 0.00 -1.97 -2.26 103.07 106.92 1wro h GLY 10 Ca 0.60 0.17 0.20 0.00 0.00 0.00 0.00 47.33 48.30 1wro h GLY 10 CO -0.12 -0.16 0.61 -0.09 0.00 0.00 0.00 176.54 176.78 1wro h ARG 11 N -1.09 0.50 -0.16 4.80 2.43 -1.84 -1.91 114.38 117.12 1wro h ARG 11 Ca -0.04 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 1wro h ARG 11 Cb 0.38 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1wro h ARG 11 CO 0.07 0.33 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.35 1wro h LEU 12 N 0.52 0.67 -1.52 3.80 3.38 -1.25 -2.53 115.31 118.40 1wro h LEU 12 Ca 0.51 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wro h LEU 12 Cb 1.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1wro h LEU 12 CO -0.24 1.14 0.28 0.77 0.09 0.00 0.00 178.44 180.48 1wro h SER 13 N 0.24 0.53 0.37 -0.43 4.64 -0.74 -1.94 113.55 116.22 1wro h SER 13 Ca -0.01 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1wro h SER 13 Cb 1.07 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1wro h SER 13 CO 0.10 0.40 -0.18 0.58 -0.87 0.00 0.00 176.83 176.86 1wro h VAL 14 N 0.61 0.11 -1.21 0.95 2.07 -1.40 -1.32 116.25 116.06 1wro h VAL 14 Ca 0.16 -0.67 0.36 0.00 0.82 0.00 0.00 66.70 67.37 1wro h VAL 14 Cb -0.03 0.18 -0.10 0.00 -1.52 0.00 0.00 31.29 29.81 1wro h VAL 14 CO -0.03 0.03 0.80 -0.07 0.02 0.00 0.00 177.57 178.32 1wro h LEU 15 N -1.11 0.28 -0.07 2.57 3.38 -1.38 0.86 115.31 119.84 1wro h LEU 15 Ca -0.05 0.09 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 1wro h LEU 15 Cb 0.42 0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.24 1wro h LEU 15 CO 0.08 -0.03 -0.96 0.25 0.09 0.00 0.00 178.44 177.87 1wro h LEU 16 N 0.20 0.87 -0.30 1.67 5.85 -1.35 -2.62 115.31 119.62 1wro h LEU 16 Ca 0.69 -0.66 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 1wro h LEU 16 Cb 2.14 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.91 1wro h LEU 16 CO -0.28 1.46 -0.48 0.25 -0.34 0.00 0.00 178.44 179.05 1wro h LEU 17 N 0.41 0.95 -0.26 2.25 5.85 0.17 -3.31 115.31 121.36 1wro h LEU 17 Ca -0.10 -0.52 -0.12 0.00 0.84 0.00 0.00 57.88 57.98 1wro h LEU 17 Cb 1.60 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1wro h LEU 17 CO 0.19 1.28 -0.31 -0.07 -0.34 0.00 0.00 178.44 179.19 1wro h LEU 18 N 0.64 0.72 -9.70 2.25 3.38 -0.32 -3.45 115.31 108.82 1wro h LEU 18 Ca 0.03 -0.49 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 1wro h LEU 18 Cb 1.08 -0.20 0.09 0.00 0.09 0.00 0.00 40.66 41.72 1wro h LEU 18 CO 0.11 1.06 0.70 -3.20 0.09 0.00 0.00 178.44 177.20 1wro n ASN 19 N -4.27 3.20 -1.14 -0.43 5.15 -0.99 -4.90 115.26 111.87 1wro n ASN 19 Ca -0.04 1.16 -0.01 0.00 -0.60 0.00 0.00 54.58 55.09 1wro n ASN 19 Cb 0.48 -1.50 0.13 0.00 -0.53 0.00 0.00 39.78 38.36 1wro n ASN 19 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wro n GLU 20 N 1.78 1.79 -1.95 1.20 1.02 -1.26 -4.99 120.64 118.22 1wro n GLU 20 Ca 0.09 -3.31 -0.41 0.00 -0.02 0.00 0.00 57.16 53.52 1wro n GLU 20 Cb 0.34 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1wro n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wro s ALA 21 N -2.87 3.48 0.21 0.62 0.00 -1.26 -4.94 121.76 117.00 1wro s ALA 21 Ca 0.40 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.71 1wro s ALA 21 Cb 0.38 -3.54 0.18 0.00 0.00 0.00 0.00 23.12 20.13 1wro s ALA 21 CO -0.06 -0.88 1.65 0.93 0.00 0.00 0.00 175.76 177.40 1wro h GLU 22 N 3.04 0.87 -5.56 0.00 5.08 -2.06 -3.42 114.58 112.54 1wro h GLU 22 Ca -0.50 -0.31 -0.60 0.00 -1.00 0.00 0.00 59.36 56.95 1wro h GLU 22 Cb 1.24 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.32 1wro h GLU 22 CO 0.64 0.94 0.05 -1.83 -1.00 0.00 0.00 179.01 177.81 1wro s GLU 23 N -4.80 4.17 -0.65 2.33 1.03 -1.26 -5.00 118.70 114.52 1wro s GLU 23 Ca -0.10 0.49 -0.26 0.00 0.03 0.00 0.00 54.97 55.13 1wro s GLU 23 Cb 0.13 -3.59 -0.03 0.00 -0.80 0.00 0.00 34.13 29.85 1wro s GLU 23 CO 0.84 -0.24 1.90 0.45 -1.33 0.00 0.00 175.26 176.88 1wro s SER 24 N 1.26 5.20 0.00 0.83 0.15 -1.26 -4.71 113.70 115.17 1wro s SER 24 Ca 0.26 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1wro s SER 24 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1wro s SER 24 CO 0.10 -2.47 0.00 1.07 1.20 0.00 0.00 173.24 173.14 1wro n THR 25 N 7.35 0.00 -0.07 6.45 5.66 -1.26 -4.84 114.28 127.57 1wro n THR 25 Ca 0.24 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.10 1wro n THR 25 Cb 0.51 0.17 -0.13 0.00 -1.55 0.00 0.00 70.33 69.34 1wro n THR 25 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1wro h GLN 26 N 0.00 -0.00 -0.39 1.09 4.20 -2.00 -3.21 115.11 114.80 1wro h GLN 26 Ca 0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1wro h GLN 26 Cb 0.19 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.88 1wro h GLN 26 CO 0.00 0.99 -0.30 0.28 -0.67 0.00 0.00 178.83 179.13 1wro h VAL 27 N -1.00 0.27 -0.68 -0.54 2.07 -1.98 -0.57 116.25 113.82 1wro h VAL 27 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1wro h VAL 27 Cb 0.99 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1wro h VAL 27 CO 0.00 0.00 0.33 -0.33 0.02 0.00 0.00 177.57 177.59 1wro h GLU 28 N -0.23 0.96 -0.15 1.57 5.08 -1.89 -1.42 114.58 118.50 1wro h GLU 28 Ca 0.18 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1wro h GLU 28 Cb 0.52 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1wro h GLU 28 CO -0.52 0.75 0.04 0.93 -1.00 0.00 0.00 179.01 179.21 1wro h GLU 29 N 0.96 0.23 -0.05 2.33 5.08 -1.31 -1.54 114.58 120.29 1wro h GLU 29 Ca 0.24 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1wro h GLU 29 Cb 0.10 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1wro h GLU 29 CO -0.03 0.37 0.03 -0.07 -1.00 0.00 0.00 179.01 178.31 1wro h LEU 30 N 0.05 0.05 -0.69 1.33 3.38 -0.90 -2.34 115.31 116.19 1wro h LEU 30 Ca 0.05 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1wro h LEU 30 Cb 0.24 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1wro h LEU 30 CO -0.00 0.04 0.33 -0.33 0.09 0.00 0.00 178.44 178.56 1wro h GLU 31 N 0.06 0.53 0.00 1.13 5.08 -1.21 -0.11 114.58 120.07 1wro h GLU 31 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1wro h GLU 31 Cb -0.01 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1wro h GLU 31 CO -0.00 0.35 -0.04 0.00 -1.00 0.00 0.00 179.01 178.31 1wro h ARG 32 N 0.55 0.00 -0.08 2.33 3.08 -0.96 -0.39 114.38 118.91 1wro h ARG 32 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1wro h ARG 32 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1wro h ARG 32 CO -0.29 0.04 0.00 -0.25 -1.07 0.00 0.00 179.97 178.41 1wro n ASP 33 N -4.35 0.89 0.00 7.04 9.92 -0.10 -4.89 116.55 125.06 1wro n ASP 33 Ca -0.03 -1.56 0.00 0.00 -0.53 0.00 0.00 54.79 52.67 1wro n ASP 33 Cb 0.13 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1wro n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wro n GLY 34 N 0.98 0.61 3.87 0.44 0.00 -0.16 -5.09 105.19 105.84 1wro n GLY 34 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1wro n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wro s TRP 35 N -2.00 3.43 -0.14 1.61 0.52 -0.90 -4.89 118.94 116.56 1wro s TRP 35 Ca 0.00 1.02 -0.08 0.00 0.02 0.00 0.00 56.10 57.06 1wro s TRP 35 Cb 0.00 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 1wro s TRP 35 CO 0.00 0.06 0.14 0.15 0.02 0.00 0.00 176.95 177.32 1wro s LYS 36 N -3.34 3.69 0.03 4.98 -0.14 -0.76 -3.93 119.74 120.27 1wro s LYS 36 Ca 0.51 -0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.99 1wro s LYS 36 Cb -0.10 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 1wro s LYS 36 CO 0.25 0.62 -0.09 0.08 -0.76 0.00 0.00 175.35 175.45 1wro s VAL 37 N -0.58 0.64 0.02 3.17 1.01 -1.26 -1.78 120.40 121.63 1wro s VAL 37 Ca 0.13 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1wro s VAL 37 Cb -0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 1wro s VAL 37 CO 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 175.10 174.95 1wro s LEU 39 N -1.30 0.74 0.24 0.00 1.43 -1.26 -2.45 118.68 116.08 1wro s LEU 39 Ca -0.12 0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 53.28 1wro s LEU 39 Cb -0.09 0.77 0.03 0.00 0.03 0.00 0.00 46.19 46.93 1wro s LEU 39 CO -0.00 -0.13 0.66 -0.83 0.23 0.00 0.00 176.35 176.28 1wro s GLY 40 N 0.72 -0.16 0.05 -3.19 0.00 -0.74 -5.02 107.32 98.98 1wro s GLY 40 Ca -0.05 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.54 1wro s GLY 40 CO -0.04 -0.09 -0.12 -1.59 0.00 0.00 0.00 173.10 171.26 1wro s LYS 41 N -3.89 0.74 -0.25 2.90 -2.85 -1.26 0.13 119.74 115.26 1wro s LYS 41 Ca 0.09 -0.80 -0.18 0.00 -1.00 0.00 0.00 55.97 54.08 1wro s LYS 41 Cb -0.04 -0.67 0.07 0.00 -2.06 0.00 0.00 37.83 35.12 1wro s LYS 41 CO 0.02 0.15 0.63 0.54 0.10 0.00 0.00 175.35 176.79 1wro s VAL 42 N -1.13 -0.00 -0.10 1.79 0.11 0.23 -4.99 120.40 116.31 1wro s VAL 42 Ca -0.03 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1wro s VAL 42 Cb -0.09 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1wro s VAL 42 CO 0.01 0.01 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.83 1wro s GLY 43 N 0.98 0.93 -0.08 6.54 0.00 -1.26 0.06 107.32 114.49 1wro s GLY 43 Ca -0.05 -0.61 -0.31 0.00 0.00 0.00 0.00 44.72 43.75 1wro s GLY 43 CO -0.09 0.31 1.02 -0.45 0.00 0.00 0.00 173.10 173.88 1wro s SER 44 N 1.03 -0.27 -0.28 1.64 0.15 -0.92 -5.00 113.70 110.05 1wro s SER 44 Ca -0.07 -0.00 0.11 0.00 0.70 0.00 0.00 55.95 56.69 1wro s SER 44 Cb -0.15 0.29 0.54 0.00 -1.71 0.00 0.00 66.02 64.99 1wro s SER 44 CO -0.01 -0.46 1.51 1.15 1.20 0.00 0.00 173.24 176.63 1wro n MET 45 N -0.18 2.26 -3.79 5.44 0.00 -1.26 -2.23 117.12 117.34 1wro n MET 45 Ca -0.05 -3.07 -0.28 0.00 0.00 0.00 0.00 57.70 54.30 1wro n MET 45 Cb 0.60 -1.88 -0.16 0.00 0.00 0.00 0.00 33.22 31.78 1wro n MET 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wro s ASP 46 N -2.19 3.11 0.45 3.17 1.01 -1.26 -0.96 116.67 120.00 1wro s ASP 46 Ca 0.46 -0.89 0.12 0.00 0.71 0.00 0.00 52.55 52.95 1wro s ASP 46 Cb 0.40 -0.75 1.03 0.00 1.01 0.00 0.00 42.92 44.60 1wro s ASP 46 CO 0.04 -0.28 2.05 0.00 0.21 0.00 0.00 175.17 177.19 1wro h ALA 47 N 8.17 1.90 -0.03 5.23 0.00 -1.92 -1.96 119.26 130.65 1wro h ALA 47 Ca -0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1wro h ALA 47 Cb 1.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1wro h ALA 47 CO 0.36 0.04 -0.21 1.12 0.00 0.00 0.00 179.25 180.56 1wro h HIS 48 N 0.36 0.05 -0.00 0.00 2.07 -1.97 -1.67 115.15 113.99 1wro h HIS 48 Ca 0.16 -0.01 -0.13 0.00 -2.85 0.00 0.00 60.37 57.55 1wro h HIS 48 Cb 0.18 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.12 1wro h HIS 48 CO -0.00 0.26 -0.59 0.87 -3.07 0.00 0.00 177.93 175.39 1wro h LYS 49 N 0.05 0.01 -0.20 5.12 1.57 -1.79 -0.29 116.57 121.03 1wro h LYS 49 Ca 0.01 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1wro h LYS 49 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1wro h LYS 49 CO 0.03 0.60 -0.49 0.28 -0.57 0.00 0.00 179.45 179.30 1wro h VAL 50 N 0.01 1.31 -0.58 0.50 2.07 -1.29 -1.77 116.25 116.49 1wro h VAL 50 Ca -0.01 -1.71 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 1wro h VAL 50 Cb 1.05 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1wro h VAL 50 CO 0.08 0.54 0.10 0.40 0.02 0.00 0.00 177.57 178.71 1wro h ILE 51 N 0.39 1.26 0.59 4.57 2.04 -1.23 -2.74 117.51 122.39 1wro h ILE 51 Ca -0.00 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 1wro h ILE 51 Cb 1.10 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1wro h ILE 51 CO 0.11 0.36 -0.50 0.00 0.00 0.00 0.00 178.15 178.11 1wro h ALA 52 N 1.01 -1.19 -0.48 1.87 0.00 -0.95 -1.97 119.26 117.56 1wro h ALA 52 Ca 0.18 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1wro h ALA 52 Cb 0.41 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1wro h ALA 52 CO 0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 179.25 177.92 1wro h ALA 53 N -1.00 0.29 -0.72 0.00 0.00 -1.32 -0.98 119.26 115.53 1wro h ALA 53 Ca -0.08 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wro h ALA 53 Cb 0.90 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1wro h ALA 53 CO -0.01 -0.46 0.45 0.82 0.00 0.00 0.00 179.25 180.05 1wro h ILE 54 N -0.02 1.10 0.83 0.00 2.04 -1.39 0.04 117.51 120.10 1wro h ILE 54 Ca 0.23 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1wro h ILE 54 Cb 0.37 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1wro h ILE 54 CO -0.50 0.16 -0.42 -0.08 0.00 0.00 0.00 178.15 177.31 1wro h GLU 55 N 0.88 -1.10 -0.43 2.37 4.81 -0.62 -1.39 114.58 119.10 1wro h GLU 55 Ca 0.29 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.68 1wro h GLU 55 Cb 0.02 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 29.55 1wro h GLU 55 CO -0.11 -0.73 -0.23 1.15 -0.73 0.00 0.00 179.01 178.36 1wro h THR 56 N -1.14 0.35 0.00 0.32 2.02 -0.96 0.43 112.91 113.92 1wro h THR 56 Ca -0.11 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1wro h THR 56 Cb 0.88 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1wro h THR 56 CO 0.17 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 175.86 1wro h ALA 57 N 1.09 1.45 0.00 6.16 0.00 -0.96 0.19 119.26 127.20 1wro h ALA 57 Ca 0.21 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1wro h ALA 57 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wro h ALA 57 CO -0.53 0.25 -0.45 0.77 0.00 0.00 0.00 179.25 179.29 1wro h SER 58 N 0.00 0.00 0.17 0.00 0.02 0.12 -2.26 113.55 111.60 1wro h SER 58 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.60 1wro h SER 58 Cb 0.41 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1wro h SER 58 CO 0.03 0.45 -1.73 0.11 -1.14 0.00 0.00 176.83 174.54 1wro h LYS 59 N 0.00 0.37 -0.23 3.45 1.57 -0.01 0.38 116.57 122.09 1wro h LYS 59 Ca -0.00 -0.63 -0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1wro h LYS 59 Cb 1.23 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 1wro h LYS 59 CO 0.06 1.30 0.13 0.87 -0.57 0.00 0.00 179.45 181.24 1wro h LYS 60 N 0.05 0.32 0.00 3.15 1.57 -0.71 -1.87 116.57 119.08 1wro h LYS 60 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1wro h LYS 60 Cb 2.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1wro h LYS 60 CO 0.15 0.29 0.00 -1.13 -0.57 0.00 0.00 179.45 178.19 1wro n SER 61 N -4.87 0.60 -0.24 0.86 3.41 -0.85 -4.89 113.62 107.64 1wro n SER 61 Ca -0.03 0.65 -0.02 0.00 -0.26 0.00 0.00 58.87 59.21 1wro n SER 61 Cb 0.07 -0.78 -0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1wro n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wro n GLY 62 N 0.00 0.32 0.16 5.00 0.00 -0.71 -4.93 105.19 105.04 1wro n GLY 62 Ca 0.02 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 1wro n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wro h VAL 63 N 0.00 1.42 -3.83 1.61 2.07 -0.49 -3.45 116.25 113.58 1wro h VAL 63 Ca -0.05 -2.32 -0.29 0.00 0.82 0.00 0.00 66.70 64.86 1wro h VAL 63 Cb 0.90 2.26 -0.18 0.00 -1.52 0.00 0.00 31.29 32.75 1wro h VAL 63 CO 0.06 0.69 -0.73 0.27 0.02 0.00 0.00 177.57 177.89 1wro s ILE 64 N -3.44 0.77 0.33 4.57 -4.36 -1.05 -4.91 121.20 113.11 1wro s ILE 64 Ca -0.05 -1.53 -0.29 0.00 -0.26 0.00 0.00 60.65 58.53 1wro s ILE 64 Cb 0.10 -1.20 -0.10 0.00 1.25 0.00 0.00 42.46 42.51 1wro s ILE 64 CO 0.83 -0.56 1.38 -1.10 0.24 0.00 0.00 174.94 175.73 1wro s GLN 65 N -2.63 4.27 0.39 0.37 -0.21 -1.26 -4.51 119.66 116.08 1wro s GLN 65 Ca 0.02 2.33 0.21 0.00 0.02 0.00 0.00 55.36 57.94 1wro s GLN 65 Cb -0.03 -3.05 0.52 0.00 1.00 0.00 0.00 33.01 31.45 1wro s GLN 65 CO -0.01 -0.33 1.66 0.77 -2.12 0.00 0.00 175.29 175.26 1wro h SER 66 N 3.63 0.00 -3.03 5.90 0.02 -1.95 -3.43 113.55 114.69 1wro h SER 66 Ca -0.49 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.86 1wro h SER 66 Cb 1.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 1wro h SER 66 CO 0.68 0.27 -0.37 -1.61 -1.14 0.00 0.00 176.83 174.65 1wro s GLU 67 N -3.32 3.57 0.25 3.45 8.01 -1.26 -4.99 118.70 124.42 1wro s GLU 67 Ca 0.03 -0.16 0.00 0.00 0.01 0.00 0.00 54.97 54.85 1wro s GLU 67 Cb 0.08 -2.96 0.00 0.00 -4.31 0.00 0.00 34.13 26.94 1wro s GLU 67 CO 0.68 0.55 0.00 0.41 0.01 0.00 0.00 175.26 176.91 1wro n GLY 68 N 0.45 -2.38 0.51 -1.39 0.00 -1.26 -4.86 105.19 96.26 1wro n GLY 68 Ca -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1wro n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wro n TYR 69 N -0.11 0.00 -0.27 1.61 9.36 -1.26 -4.76 117.16 121.73 1wro n TYR 69 Ca 0.00 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.38 1wro n TYR 69 Cb 0.00 0.06 0.30 0.00 -0.63 0.00 0.00 39.34 39.07 1wro n TYR 69 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wro n ARG 70 N -2.47 -0.06 0.05 2.98 0.63 -1.26 -0.25 116.66 116.28 1wro n ARG 70 Ca 0.00 1.17 -0.14 0.00 -0.92 0.00 0.00 57.85 57.96 1wro n ARG 70 Cb 0.36 -1.92 -0.14 0.00 0.45 0.00 0.00 32.46 31.21 1wro n ARG 70 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wro h GLU 71 N 0.00 0.17 0.00 -0.14 5.08 -1.89 -2.99 114.58 114.81 1wro h GLU 71 Ca 0.54 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1wro h GLU 71 Cb 1.21 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1wro h GLU 71 CO -0.71 1.00 -0.08 0.77 -1.00 0.00 0.00 179.01 178.98 1wro h SER 72 N 0.05 0.00 0.47 1.42 0.02 -0.89 -1.75 113.55 112.86 1wro h SER 72 Ca -0.22 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.47 1wro h SER 72 Cb 1.98 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.53 1wro h SER 72 CO 0.14 0.08 -1.11 -0.74 -1.14 0.00 0.00 176.83 174.06 1wro h HIS 73 N 0.00 0.58 -0.42 3.45 -0.00 -0.67 -2.21 115.15 115.88 1wro h HIS 73 Ca -0.00 -0.37 -0.13 0.00 -0.00 0.00 0.00 60.37 59.87 1wro h HIS 73 Cb 0.24 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1wro h HIS 73 CO 0.00 1.23 -0.26 0.00 -0.00 0.00 0.00 177.93 178.90 1wro h ALA 74 N 0.63 0.74 -0.08 5.26 0.00 -1.19 -3.12 119.26 121.50 1wro h ALA 74 Ca -0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1wro h ALA 74 Cb 1.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1wro h ALA 74 CO 0.19 0.66 -0.24 1.25 0.00 0.00 0.00 179.25 181.11 1wro h LEU 75 N 0.76 0.35 -0.92 0.00 5.85 -1.44 -2.82 115.31 117.09 1wro h LEU 75 Ca 0.09 -0.61 0.17 0.00 0.84 0.00 0.00 57.88 58.38 1wro h LEU 75 Cb 0.82 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.65 1wro h LEU 75 CO 0.07 0.89 0.50 0.22 -0.34 0.00 0.00 178.44 179.78 1wro h TYR 76 N -0.18 0.88 -0.03 1.25 5.03 -1.43 0.41 116.97 122.90 1wro h TYR 76 Ca -0.01 0.04 -0.21 0.00 2.58 0.00 0.00 58.73 61.12 1wro h TYR 76 Cb 0.86 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.89 1wro h TYR 76 CO 0.12 0.18 -0.88 0.45 -1.32 0.00 0.00 178.16 176.71 1wro h HIS 77 N 0.65 0.60 -0.15 -3.82 3.86 -1.60 -0.96 115.15 113.74 1wro h HIS 77 Ca 0.52 -0.31 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1wro h HIS 77 Cb 0.80 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1wro h HIS 77 CO -0.06 1.11 0.08 0.00 0.86 0.00 0.00 177.93 179.92 1wro h ALA 78 N 0.79 0.19 -0.03 2.45 0.00 -0.94 0.19 119.26 121.92 1wro h ALA 78 Ca -0.06 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1wro h ALA 78 Cb 1.49 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1wro h ALA 78 CO 0.15 -0.28 -0.20 1.15 0.00 0.00 0.00 179.25 180.07 1wro h THR 79 N 0.14 0.51 -0.17 0.00 2.02 -0.15 -0.76 112.91 114.50 1wro h THR 79 Ca 0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 1wro h THR 79 Cb 0.07 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1wro h THR 79 CO -0.01 0.00 -0.20 0.24 0.37 0.00 0.00 175.52 175.93 1wro h MET 80 N -0.31 -0.22 0.00 6.66 2.86 -0.84 0.11 114.93 123.19 1wro h MET 80 Ca 0.07 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1wro h MET 80 Cb 0.40 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1wro h MET 80 CO -0.21 -0.15 0.00 0.93 1.06 0.00 0.00 176.91 178.54 1wro h GLU 81 N -0.23 0.00 0.02 1.72 5.08 -0.26 -0.96 114.58 119.95 1wro h GLU 81 Ca 0.11 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.19 1wro h GLU 81 Cb 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1wro h GLU 81 CO -0.30 0.00 -1.55 0.00 -1.00 0.00 0.00 179.01 176.16 1wro h ALA 82 N 2.03 0.60 0.00 3.43 0.00 0.63 -3.31 119.26 122.65 1wro h ALA 82 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1wro h ALA 82 Cb 0.10 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wro h ALA 82 CO 0.00 1.45 0.00 1.28 0.00 0.00 0.00 179.25 181.98 1wro n LEU 83 N -3.19 0.68 -0.01 0.00 4.77 0.06 -2.93 117.00 116.38 1wro n LEU 83 Ca -0.14 0.62 -0.15 0.00 -0.03 0.00 0.00 56.01 56.31 1wro n LEU 83 Cb 1.03 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1wro n LEU 83 CO 0.46 -0.39 0.31 0.45 -1.33 0.00 0.00 177.39 176.89 1wro h HIS 84 N 0.00 0.94 0.00 -1.77 3.86 -1.56 0.81 115.15 117.43 1wro h HIS 84 Ca 0.00 -0.40 -0.05 0.00 -1.16 0.00 0.00 60.37 58.76 1wro h HIS 84 Cb 0.50 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1wro h HIS 84 CO 0.00 1.22 -0.24 0.78 0.86 0.00 0.00 177.93 180.55 1wro h GLY 85 N 0.76 0.00 0.59 2.45 0.00 -1.70 0.66 103.07 105.84 1wro h GLY 85 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.05 1wro h GLY 85 CO 0.15 0.00 -1.18 -2.08 0.00 0.00 0.00 176.54 173.43 1wro h VAL 86 N 0.00 1.21 0.00 4.60 2.07 -1.36 -3.39 116.25 119.39 1wro h VAL 86 Ca -0.00 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1wro h VAL 86 Cb 0.53 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1wro h VAL 86 CO 0.03 0.70 -0.81 0.71 0.02 0.00 0.00 177.57 178.22 1wro h THR 87 N -0.35 0.03 -6.66 2.57 1.35 -0.84 -3.46 112.91 105.54 1wro h THR 87 Ca -0.24 -1.05 -0.50 0.00 -0.55 0.00 0.00 66.41 64.06 1wro h THR 87 Cb 1.70 1.63 0.01 0.00 -1.73 0.00 0.00 68.15 69.76 1wro h THR 87 CO 0.09 0.02 -0.97 0.54 -0.25 0.00 0.00 175.52 174.94 1wro n ARG 88 N -2.78 -0.87 0.00 4.72 1.74 0.22 -3.78 116.66 115.92 1wro n ARG 88 Ca 0.00 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1wro n ARG 88 Cb 0.56 -2.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 1wro n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wro n GLY 89 N -1.87 3.23 2.92 -0.13 0.00 -1.26 -5.04 105.19 103.04 1wro n GLY 89 Ca -0.16 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1wro n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wro s GLU 90 N 0.00 1.60 -0.46 1.61 0.41 -1.25 -5.01 118.70 115.60 1wro s GLU 90 Ca 0.00 -0.59 -0.05 0.00 -0.41 0.00 0.00 54.97 53.92 1wro s GLU 90 Cb 0.00 -2.10 -0.11 0.00 -1.78 0.00 0.00 34.13 30.15 1wro s GLU 90 CO 0.00 -0.42 2.23 -0.12 -0.49 0.00 0.00 175.26 176.46 1wro n MET 91 N 4.83 1.65 -4.53 1.61 1.56 -1.26 -4.75 117.12 116.22 1wro n MET 91 Ca -0.13 -1.02 -0.21 0.00 -0.27 0.00 0.00 57.70 56.07 1wro n MET 91 Cb 0.48 -2.12 -0.15 0.00 2.15 0.00 0.00 33.22 33.58 1wro n MET 91 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wro s LEU 92 N 0.05 2.04 0.00 -0.89 1.43 -1.26 -4.94 118.68 115.10 1wro s LEU 92 Ca 0.40 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1wro s LEU 92 Cb 0.15 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.74 1wro s LEU 92 CO -0.02 0.14 0.00 0.18 0.23 0.00 0.00 176.35 176.88 1wro n LEU 93 N 2.71 0.00 -0.35 1.79 4.77 -1.26 -4.71 117.00 119.94 1wro n LEU 93 Ca -0.14 0.00 0.29 0.00 -0.03 0.00 0.00 56.01 56.12 1wro n LEU 93 Cb 0.56 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.24 1wro n LEU 93 CO 0.24 0.00 1.25 1.23 -1.33 0.00 0.00 177.39 178.78 1wro h GLY 94 N 0.00 0.96 1.91 -0.72 0.00 -0.29 0.26 103.07 105.19 1wro h GLY 94 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1wro h GLY 94 CO 0.00 -0.16 0.00 -1.14 0.00 0.00 0.00 176.54 175.24 1wro n SER 95 N -4.54 0.00 -0.78 0.19 3.41 -1.26 -2.00 113.62 108.65 1wro n SER 95 Ca 0.28 0.39 0.05 0.00 -0.26 0.00 0.00 58.87 59.33 1wro n SER 95 Cb 1.08 -0.46 0.21 0.00 -0.26 0.00 0.00 64.21 64.79 1wro n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wro n LEU 96 N -1.46 3.55 -3.04 1.04 4.77 0.85 -4.95 117.00 117.76 1wro n LEU 96 Ca 0.06 -3.33 -0.22 0.00 -0.03 0.00 0.00 56.01 52.50 1wro n LEU 96 Cb 0.24 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1wro n LEU 96 CO 0.19 0.91 -0.05 -0.11 -1.33 0.00 0.00 177.39 177.01 1wro n LEU 97 N -0.94 -2.09 -4.37 2.23 7.94 -0.85 -4.98 117.00 113.95 1wro n LEU 97 Ca 0.24 -0.26 -0.19 0.00 -1.11 0.00 0.00 56.01 54.69 1wro n LEU 97 Cb 0.87 -2.60 -0.10 0.00 0.53 0.00 0.00 43.42 42.12 1wro n LEU 97 CO 0.12 0.14 -0.38 0.00 -1.11 0.00 0.00 177.39 176.16 1wro s ARG 98 N -5.70 1.40 0.06 1.96 1.70 -0.88 -4.46 118.95 113.03 1wro s ARG 98 Ca 0.29 -1.68 -0.07 0.00 -0.47 0.00 0.00 55.73 53.79 1wro s ARG 98 Cb -0.14 -0.96 -0.01 0.00 -0.57 0.00 0.00 34.95 33.28 1wro s ARG 98 CO 0.35 0.04 0.15 -0.08 -1.08 0.00 0.00 175.30 174.68 1wro s THR 99 N -3.14 0.14 0.30 4.99 -1.32 -0.27 -1.86 115.64 114.48 1wro s THR 99 Ca 0.26 -1.16 0.11 0.00 -1.21 0.00 0.00 61.69 59.70 1wro s THR 99 Cb 0.03 -1.15 -0.05 0.00 -1.51 0.00 0.00 72.50 69.82 1wro s THR 99 CO 0.09 -0.64 -0.16 0.68 -2.21 0.00 0.00 174.62 172.37 1wro s VAL 100 N -3.26 2.46 -0.32 5.08 -7.23 -0.95 -1.69 120.40 114.49 1wro s VAL 100 Ca 0.00 -2.34 -0.02 0.00 -1.81 0.00 0.00 61.98 57.82 1wro s VAL 100 Cb 0.02 -2.41 0.11 0.00 0.56 0.00 0.00 36.38 34.67 1wro s VAL 100 CO -0.08 -0.35 0.15 -0.83 -0.31 0.00 0.00 175.10 173.69 1wro s GLY 101 N -3.54 0.77 0.26 2.32 0.00 -0.43 -2.16 107.32 104.54 1wro s GLY 101 Ca 0.31 -1.50 0.10 0.00 0.00 0.00 0.00 44.72 43.63 1wro s GLY 101 CO 0.16 1.96 -0.06 1.08 0.00 0.00 0.00 173.10 176.24 1wro s LEU 102 N 1.63 3.04 -0.03 0.66 1.43 0.11 -0.88 118.68 124.64 1wro s LEU 102 Ca 0.12 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1wro s LEU 102 Cb -0.19 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1wro s LEU 102 CO -0.22 0.02 -0.16 -0.60 0.23 0.00 0.00 176.35 175.62 1wro s ARG 103 N -3.56 1.45 0.02 1.70 3.52 0.40 -0.60 118.95 121.88 1wro s ARG 103 Ca 0.30 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 1wro s ARG 103 Cb -0.06 -1.34 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 1wro s ARG 103 CO 0.18 0.28 -0.06 -0.59 -0.81 0.00 0.00 175.30 174.31 1wro s PHE 104 N -0.16 0.54 0.07 5.12 -0.12 0.12 -1.30 117.98 122.24 1wro s PHE 104 Ca 0.01 -0.34 0.10 0.00 -0.05 0.00 0.00 56.93 56.65 1wro s PHE 104 Cb -0.08 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 41.94 1wro s PHE 104 CO 0.01 -0.06 -0.26 0.00 -0.05 0.00 0.00 175.22 174.85 1wro s ALA 105 N -0.90 2.25 -0.29 1.99 0.00 -0.78 -1.79 121.76 122.25 1wro s ALA 105 Ca -0.06 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 1wro s ALA 105 Cb -0.07 -0.44 0.09 0.00 0.00 0.00 0.00 23.12 22.70 1wro s ALA 105 CO 0.00 0.53 0.10 0.08 0.00 0.00 0.00 175.76 176.46 1wro s VAL 106 N -0.87 0.55 -0.17 0.00 1.01 -1.03 -1.20 120.40 118.69 1wro s VAL 106 Ca 0.12 -1.08 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1wro s VAL 106 Cb -0.10 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1wro s VAL 106 CO 0.03 -0.62 0.07 -0.76 0.00 0.00 0.00 175.10 173.83 1wro s LEU 107 N 1.79 3.91 -0.12 3.92 1.02 -0.54 -2.26 118.68 126.41 1wro s LEU 107 Ca 0.08 0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.39 1wro s LEU 107 Cb -0.17 -1.98 0.02 0.00 0.02 0.00 0.00 46.19 44.08 1wro s LEU 107 CO -0.26 0.22 -0.14 -0.60 0.02 0.00 0.00 176.35 175.58 1wro s ARG 108 N 0.12 2.20 0.00 1.70 3.52 -0.73 0.21 118.95 125.97 1wro s ARG 108 Ca 0.06 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1wro s ARG 108 Cb -0.12 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.34 1wro s ARG 108 CO 0.00 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 1wro n GLY 109 N 4.40 -0.26 3.72 8.12 0.00 0.53 -1.82 105.19 119.88 1wro n GLY 109 Ca -0.18 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 1wro n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wro s ASN 110 N 0.00 6.85 0.00 1.61 3.84 -1.26 -1.33 114.94 124.65 1wro s ASN 110 Ca 0.00 1.02 0.14 0.00 0.21 0.00 0.00 52.86 54.23 1wro s ASN 110 Cb 0.00 -2.35 0.33 0.00 -0.55 0.00 0.00 41.25 38.68 1wro s ASN 110 CO 0.00 -0.04 1.24 -0.81 -2.79 0.00 0.00 177.10 174.69 1wro n PRO 111 N 3.63 2.35 -4.11 0.43 -0.04 -1.26 -4.96 135.00 131.05 1wro n PRO 111 Ca -0.04 -2.00 -0.25 0.00 -0.04 0.00 0.00 63.50 61.16 1wro n PRO 111 Cb 0.51 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 1wro n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wro s TYR 112 N -1.06 3.09 0.30 0.54 1.51 -1.26 0.28 117.35 120.74 1wro s TYR 112 Ca 0.27 -0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.26 1wro s TYR 112 Cb 0.15 -1.46 0.44 0.00 -0.11 0.00 0.00 41.96 40.98 1wro s TYR 112 CO 0.20 0.52 1.92 0.93 -1.11 0.00 0.00 175.55 178.01 1wro h GLU 113 N 2.24 0.98 -5.57 -0.62 5.08 -1.66 -3.42 114.58 111.61 1wro h GLU 113 Ca -0.48 -0.11 -0.60 0.00 -1.00 0.00 0.00 59.36 57.18 1wro h GLU 113 Cb 1.21 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 30.16 1wro h GLU 113 CO 0.62 0.72 -0.01 -1.54 -1.00 0.00 0.00 179.01 177.80 1wro s SER 114 N -6.42 6.59 0.13 1.42 1.04 -1.26 -4.95 113.70 110.26 1wro s SER 114 Ca -0.11 0.71 0.11 0.00 0.48 0.00 0.00 55.95 57.14 1wro s SER 114 Cb 0.17 -2.30 0.55 0.00 0.10 0.00 0.00 66.02 64.54 1wro s SER 114 CO 0.79 -0.20 1.33 -0.62 0.98 0.00 0.00 173.24 175.53 1wro n GLU 115 N 4.82 0.06 0.10 4.02 -0.58 -1.26 -2.36 120.64 125.44 1wro n GLU 115 Ca -0.04 0.52 -0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1wro n GLU 115 Cb 0.50 -1.69 0.28 0.00 -0.57 0.00 0.00 31.44 29.96 1wro n GLU 115 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wro h ALA 116 N 2.06 1.24 0.00 0.62 0.00 -1.94 -2.93 119.26 118.31 1wro h ALA 116 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1wro h ALA 116 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wro h ALA 116 CO 0.00 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.15 1wro n GLU 117 N -4.10 0.11 -0.48 0.00 -0.58 -1.00 -4.95 120.64 109.64 1wro n GLU 117 Ca -0.01 0.59 0.07 0.00 -0.42 0.00 0.00 57.16 57.38 1wro n GLU 117 Cb 0.41 -1.85 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 1wro n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wro n GLY 118 N -1.25 -1.38 3.78 0.62 0.00 -1.11 -4.82 105.19 101.02 1wro n GLY 118 Ca -0.01 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 1wro n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wro s ASP 119 N -4.97 5.45 0.16 1.61 1.11 -1.26 -4.35 116.67 114.41 1wro s ASP 119 Ca 0.00 2.04 -0.00 0.00 0.18 0.00 0.00 52.55 54.77 1wro s ASP 119 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1wro s ASP 119 CO 0.00 -1.40 0.05 0.26 1.18 0.00 0.00 175.17 175.26 1wro s TRP 120 N -2.14 1.03 -0.01 4.23 0.52 -0.44 -2.25 118.94 119.88 1wro s TRP 120 Ca 0.69 -1.18 0.00 0.00 0.02 0.00 0.00 56.10 55.63 1wro s TRP 120 Cb -0.21 -0.58 0.01 0.00 -1.15 0.00 0.00 33.47 31.54 1wro s TRP 120 CO 0.35 -0.43 -0.01 -1.50 0.02 0.00 0.00 176.95 175.39 1wro s ILE 121 N -3.92 0.10 0.01 2.03 2.07 -0.13 -0.35 121.20 121.02 1wro s ILE 121 Ca 0.26 0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.59 1wro s ILE 121 Cb 0.07 -0.14 -0.02 0.00 0.13 0.00 0.00 42.46 42.50 1wro s ILE 121 CO 0.04 0.06 -0.25 0.00 -1.91 0.00 0.00 174.94 172.88 1wro s ALA 122 N 0.33 2.24 -0.20 1.50 0.00 0.13 -1.45 121.76 124.31 1wro s ALA 122 Ca -0.03 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1wro s ALA 122 Cb -0.05 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1wro s ALA 122 CO -0.01 0.53 -0.14 0.08 0.00 0.00 0.00 175.76 176.23 1wro s VAL 123 N -0.71 1.87 0.01 0.00 1.01 0.15 -1.47 120.40 121.26 1wro s VAL 123 Ca 0.11 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1wro s VAL 123 Cb -0.10 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1wro s VAL 123 CO 0.01 0.27 -0.14 -0.44 0.00 0.00 0.00 175.10 174.80 1wro s SER 124 N 1.31 4.09 0.06 3.32 0.01 -0.34 -0.05 113.70 122.10 1wro s SER 124 Ca -0.00 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.01 1wro s SER 124 Cb -0.16 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 1wro s SER 124 CO -0.09 0.28 -0.13 -0.76 0.41 0.00 0.00 173.24 172.95 1wro s LEU 125 N -1.28 2.26 -0.17 2.44 1.43 0.15 -1.86 118.68 121.65 1wro s LEU 125 Ca 0.15 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 1wro s LEU 125 Cb -0.11 -0.47 0.07 0.00 0.03 0.00 0.00 46.19 45.71 1wro s LEU 125 CO 0.05 -0.08 0.68 -0.47 0.23 0.00 0.00 176.35 176.76 1wro s TYR 126 N -1.24 -0.71 -2.38 0.29 5.04 -0.42 -2.50 117.35 115.43 1wro s TYR 126 Ca -0.03 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.13 1wro s TYR 126 Cb -0.10 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.53 1wro s TYR 126 CO 0.02 -0.47 0.00 0.41 -1.34 0.00 0.00 175.55 174.17 1wro n GLY 127 N 1.91 -0.55 3.40 8.97 0.00 -1.08 0.15 105.19 117.99 1wro n GLY 127 Ca -0.16 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 1wro n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wro s THR 128 N -4.00 1.79 -0.07 2.61 -4.23 -0.06 -1.62 115.64 110.07 1wro s THR 128 Ca 0.00 -2.20 -0.04 0.00 -1.18 0.00 0.00 61.69 58.27 1wro s THR 128 Cb 0.00 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.61 1wro s THR 128 CO 0.00 -0.44 0.16 -0.51 -0.54 0.00 0.00 174.62 173.29 1wro s ILE 129 N -2.93 -0.03 -0.77 2.99 2.07 -0.35 -1.31 121.20 120.87 1wro s ILE 129 Ca 0.26 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.60 1wro s ILE 129 Cb 0.01 -0.25 0.00 0.00 0.13 0.00 0.00 42.46 42.35 1wro s ILE 129 CO 0.10 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 1wro n GLY 130 N 3.69 -0.99 3.47 1.50 0.00 -0.68 -2.26 105.19 109.92 1wro n GLY 130 Ca -0.20 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 1wro n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wro s ALA 131 N -1.00 -0.54 0.53 4.61 0.00 -0.62 -1.12 121.76 123.62 1wro s ALA 131 Ca 0.00 -0.26 0.41 0.00 0.00 0.00 0.00 51.96 52.10 1wro s ALA 131 Cb 0.00 -3.19 2.12 0.00 0.00 0.00 0.00 23.12 22.05 1wro s ALA 131 CO 0.00 -3.94 2.27 -1.35 0.00 0.00 0.00 175.76 172.74 1wro h PRO 132 N -2.72 0.00 -5.93 0.00 0.11 -1.88 -3.42 132.00 118.16 1wro h PRO 132 Ca -0.60 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 64.93 1wro h PRO 132 Cb 1.34 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.39 1wro h PRO 132 CO 0.49 0.01 -0.09 0.42 -0.21 0.00 0.00 178.00 178.62 1wro s ILE 133 N -4.08 5.04 0.67 4.15 1.01 -1.26 -5.05 121.20 121.68 1wro s ILE 133 Ca -0.04 1.08 -0.17 0.00 0.00 0.00 0.00 60.65 61.52 1wro s ILE 133 Cb 0.12 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 1wro s ILE 133 CO 0.46 0.40 1.17 2.29 0.00 0.00 0.00 174.94 179.26 1wro n LYS 134 N 2.99 0.87 0.00 2.79 -0.00 -1.26 -2.67 118.16 120.88 1wro n LYS 134 Ca -0.08 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1wro n LYS 134 Cb 0.51 -2.40 0.00 0.00 -0.00 0.00 0.00 35.03 33.14 1wro n LYS 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wro n GLY 135 N 0.99 2.06 3.53 2.58 0.00 -1.26 -4.89 105.19 108.19 1wro n GLY 135 Ca 0.15 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1wro n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wro n LEU 136 N 0.00 3.71 -3.86 0.99 4.77 -1.09 -4.79 117.00 116.74 1wro n LEU 136 Ca 0.00 -3.37 0.01 0.00 -0.03 0.00 0.00 56.01 52.62 1wro n LEU 136 Cb 0.00 -1.70 0.01 0.00 -2.33 0.00 0.00 43.42 39.40 1wro n LEU 136 CO 0.00 -1.15 1.02 -1.83 -1.33 0.00 0.00 177.39 174.10 1wro s GLU 137 N 5.71 0.60 0.35 3.23 1.03 -1.26 -1.59 118.70 126.77 1wro s GLU 137 Ca 0.63 -0.37 -0.01 0.00 0.03 0.00 0.00 54.97 55.25 1wro s GLU 137 Cb 0.02 0.18 0.00 0.00 -0.80 0.00 0.00 34.13 33.53 1wro s GLU 137 CO 0.12 -0.28 0.46 -3.38 -1.33 0.00 0.00 175.26 170.85 1wro s HIS 138 N -2.21 1.18 0.96 4.83 -3.43 -0.96 -4.96 115.29 110.70 1wro s HIS 138 Ca 0.23 -1.37 -0.12 0.00 -0.80 0.00 0.00 55.06 53.00 1wro s HIS 138 Cb 0.01 -0.16 0.16 0.00 -1.43 0.00 0.00 32.58 31.16 1wro s HIS 138 CO -0.00 -1.13 1.09 -1.21 -2.00 0.00 0.00 174.74 171.49 1wro s GLU 139 N -3.02 0.75 -0.21 -0.38 2.02 -1.26 -1.21 118.70 115.39 1wro s GLU 139 Ca 0.32 0.76 -0.18 0.00 0.02 0.00 0.00 54.97 55.88 1wro s GLU 139 Cb -0.00 -1.76 0.06 0.00 0.10 0.00 0.00 34.13 32.53 1wro s GLU 139 CO 0.22 -2.57 0.55 -0.08 0.02 0.00 0.00 175.26 173.40 1wro s THR 140 N -2.88 -0.00 0.02 3.63 -1.32 -0.64 -4.56 115.64 109.88 1wro s THR 140 Ca 0.65 0.01 0.01 0.00 -1.21 0.00 0.00 61.69 61.15 1wro s THR 140 Cb -0.19 -0.78 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 1wro s THR 140 CO 0.58 0.00 -0.05 0.12 -2.21 0.00 0.00 174.62 173.06 1wro s PHE 141 N 0.46 0.46 -0.28 9.09 5.36 -1.26 -2.64 117.98 129.17 1wro s PHE 141 Ca -0.01 -0.32 -0.16 0.00 -0.96 0.00 0.00 56.93 55.47 1wro s PHE 141 Cb -0.04 -0.29 0.10 0.00 -0.34 0.00 0.00 43.02 42.45 1wro s PHE 141 CO -0.02 -0.07 0.79 0.20 -1.46 0.00 0.00 175.22 174.66 1wro s GLY 142 N -0.94 -0.42 -0.13 13.12 0.00 -1.04 -2.92 107.32 114.99 1wro s GLY 142 Ca -0.06 2.66 -0.00 0.00 0.00 0.00 0.00 44.72 47.32 1wro s GLY 142 CO -0.00 2.45 -0.10 0.14 0.00 0.00 0.00 173.10 175.59 1wro s VAL 143 N 1.51 1.24 -0.17 1.40 1.01 -1.26 0.34 120.40 124.47 1wro s VAL 143 Ca -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1wro s VAL 143 Cb -0.05 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 1wro s VAL 143 CO -0.18 0.40 -0.13 -0.83 0.00 0.00 0.00 175.10 174.37 1wro s GLY 144 N 1.60 1.51 -0.11 4.51 0.00 0.92 -4.46 107.32 111.29 1wro s GLY 144 Ca 0.04 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.73 1wro s GLY 144 CO -0.09 0.11 -0.23 -0.42 0.00 0.00 0.00 173.10 172.48 1wro s ILE 145 N 0.94 2.16 0.12 0.90 1.01 -1.26 0.30 121.20 125.37 1wro s ILE 145 Ca -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1wro s ILE 145 Cb -0.15 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1wro s ILE 145 CO -0.01 0.55 0.04 0.21 0.00 0.00 0.00 174.94 175.73 1wro s ASN 146 N 0.40 0.38 0.36 3.58 2.47 -0.53 -4.89 114.94 116.71 1wro s ASN 146 Ca -0.17 -1.17 -0.01 0.00 0.42 0.00 0.00 52.86 51.94 1wro s ASN 146 Cb -0.17 0.27 -0.04 0.00 -1.45 0.00 0.00 41.25 39.86 1wro s ASN 146 CO 0.07 -0.70 0.59 -1.38 -3.72 0.00 0.00 177.10 171.96 1wro s HIS 147 N -4.01 3.51 0.00 0.43 -3.43 -1.26 -0.95 115.29 109.58 1wro s HIS 147 Ca 0.21 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 1wro s HIS 147 Cb 0.08 -1.99 0.00 0.00 -1.43 0.00 0.00 32.58 29.24 1wro s HIS 147 CO -0.00 0.07 0.17 -0.89 -2.00 0.00 0.00 174.74 172.08