#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 4.36 -0.41 -4.42 1.43 -1.26 -1.57 118.68 116.81 1wro s LEU 3 Ca 0.00 2.91 -0.26 0.00 -1.03 0.00 0.00 54.13 55.75 1wro s LEU 3 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.58 1wro s LEU 3 CO 0.00 -0.75 0.92 -2.28 0.23 0.00 0.00 176.35 174.47 1wro s HIS 4 N -1.04 3.01 0.30 0.29 5.65 0.13 -4.76 115.29 118.88 1wro s HIS 4 Ca 0.52 0.61 0.21 0.00 0.25 0.00 0.00 55.06 56.64 1wro s HIS 4 Cb -0.44 -3.78 1.04 0.00 -1.18 0.00 0.00 32.58 28.22 1wro s HIS 4 CO 0.58 -0.94 1.13 0.36 -0.65 0.00 0.00 174.74 175.23 1wro n LYS 5 N 6.93 -0.03 0.00 2.88 0.00 -1.26 0.14 118.16 126.81 1wro n LYS 5 Ca 0.07 0.94 0.13 0.00 -0.00 0.00 0.00 58.31 59.45 1wro n LYS 5 Cb 0.48 -1.79 0.38 0.00 -0.00 0.00 0.00 35.03 34.11 1wro n LYS 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wro n GLU 6 N -4.31 1.49 -2.46 -1.58 -0.58 -1.26 -4.31 120.64 107.64 1wro n GLU 6 Ca 0.29 -0.97 -0.12 0.00 -0.42 0.00 0.00 57.16 55.94 1wro n GLU 6 Cb 1.06 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 30.49 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 0.09 2.61 -2.44 3.49 1.74 0.36 -5.00 116.66 117.51 1wro n ARG 7 Ca 0.16 -3.83 -0.38 0.00 -0.77 0.00 0.00 57.85 53.03 1wro n ARG 7 Cb 0.40 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 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 -3.67 3.39 0.37 5.56 0.52 -1.21 -4.23 118.95 119.69 1wro s ARG 8 Ca 0.38 -1.08 0.17 0.00 -0.52 0.00 0.00 55.73 54.68 1wro s ARG 8 Cb 0.37 -5.32 1.08 0.00 0.52 0.00 0.00 34.95 31.60 1wro s ARG 8 CO -0.01 -2.54 1.73 0.97 0.02 0.00 0.00 175.30 175.47 1wro h ILE 9 N 6.69 0.45 0.47 1.52 2.10 -1.92 0.23 117.51 127.05 1wro h ILE 9 Ca 0.22 -0.14 -0.02 0.00 1.08 0.00 0.00 64.86 66.00 1wro h ILE 9 Cb 0.99 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1wro h ILE 9 CO 1.38 0.07 -0.22 1.23 -1.08 0.00 0.00 178.15 179.53 1wro h GLY 10 N 0.40 -0.66 0.27 8.18 0.00 -1.97 -2.35 103.07 106.94 1wro h GLY 10 Ca 0.65 0.24 0.12 0.00 0.00 0.00 0.00 47.33 48.35 1wro h GLY 10 CO -0.40 -0.24 0.32 -0.09 0.00 0.00 0.00 176.54 176.14 1wro h ARG 11 N -1.08 0.49 -0.05 4.80 2.43 -1.84 -2.47 114.38 116.66 1wro h ARG 11 Ca -0.06 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1wro h ARG 11 Cb 0.55 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1wro h ARG 11 CO 0.11 0.33 0.03 -0.07 -1.51 0.00 0.00 179.97 178.85 1wro h LEU 12 N 0.51 0.07 -1.64 3.80 3.38 -1.01 -1.95 115.31 118.46 1wro h LEU 12 Ca 0.39 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.32 1wro h LEU 12 Cb 0.53 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1wro h LEU 12 CO -0.35 0.10 0.27 0.77 0.09 0.00 0.00 178.44 179.32 1wro h SER 13 N 0.02 0.42 0.16 -0.43 4.64 -0.99 0.13 113.55 117.50 1wro h SER 13 Ca 0.02 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1wro h SER 13 Cb 0.05 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1wro h SER 13 CO -0.00 0.29 -0.08 0.58 -0.87 0.00 0.00 176.83 176.75 1wro h VAL 14 N 0.49 0.95 -0.97 0.95 2.07 -1.21 0.01 116.25 118.53 1wro h VAL 14 Ca 0.16 -1.03 0.16 0.00 0.82 0.00 0.00 66.70 66.81 1wro h VAL 14 Cb 0.04 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 1wro h VAL 14 CO -0.04 0.22 0.61 -0.07 0.02 0.00 0.00 177.57 178.31 1wro h LEU 15 N -0.76 0.76 -1.08 2.57 3.38 -1.07 0.63 115.31 119.74 1wro h LEU 15 Ca -0.02 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1wro h LEU 15 Cb 0.52 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1wro h LEU 15 CO 0.04 0.34 -0.22 0.25 0.09 0.00 0.00 178.44 178.93 1wro h LEU 16 N 0.78 0.37 0.03 1.67 5.85 -0.60 -2.58 115.31 120.84 1wro h LEU 16 Ca 0.52 -0.11 -0.28 0.00 0.84 0.00 0.00 57.88 58.85 1wro h LEU 16 Cb 0.77 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 41.72 1wro h LEU 16 CO -0.29 0.61 -1.15 0.25 -0.34 0.00 0.00 178.44 177.52 1wro h LEU 17 N 0.34 0.76 -0.11 2.25 5.85 0.21 -3.36 115.31 121.25 1wro h LEU 17 Ca 0.06 -0.67 -0.14 0.00 0.84 0.00 0.00 57.88 57.96 1wro h LEU 17 Cb 0.59 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1wro h LEU 17 CO 0.04 1.48 -0.67 -0.07 -0.34 0.00 0.00 178.44 178.88 1wro h LEU 18 N 0.26 0.00 -9.12 2.25 3.38 -0.32 -3.45 115.31 108.31 1wro h LEU 18 Ca -0.15 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.23 1wro h LEU 18 Cb 1.82 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.48 1wro h LEU 18 CO 0.21 0.67 0.30 0.20 0.09 0.00 0.00 178.44 179.92 1wro s ASN 19 N -6.56 6.82 -0.09 -0.43 0.01 -0.98 -4.95 114.94 108.76 1wro s ASN 19 Ca 0.02 1.01 0.12 0.00 -0.71 0.00 0.00 52.86 53.31 1wro s ASN 19 Cb 0.09 -2.41 -0.24 0.00 0.41 0.00 0.00 41.25 39.10 1wro s ASN 19 CO 0.77 -0.38 0.48 -0.62 -1.51 0.00 0.00 177.10 175.84 1wro n GLU 20 N 5.34 0.66 0.23 -0.60 1.02 -1.26 -4.56 120.64 121.46 1wro n GLU 20 Ca 0.02 0.22 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 1wro n GLU 20 Cb 0.49 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 1wro n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wro h ALA 21 N 0.91 -1.07 -2.73 0.62 0.00 -2.01 -3.41 119.26 111.57 1wro h ALA 21 Ca -0.36 -0.15 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 1wro h ALA 21 Cb 2.07 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 20.39 1wro h ALA 21 CO 0.06 -1.08 -0.07 -1.83 0.00 0.00 0.00 179.25 176.34 1wro s GLU 22 N -5.08 4.21 0.03 0.00 1.03 -1.26 -4.95 118.70 112.68 1wro s GLU 22 Ca -0.13 0.66 0.00 0.00 0.03 0.00 0.00 54.97 55.52 1wro s GLU 22 Cb 0.03 -3.29 0.00 0.00 -0.80 0.00 0.00 34.13 30.07 1wro s GLU 22 CO 0.44 0.51 0.00 0.39 -1.33 0.00 0.00 175.26 175.27 1wro n GLU 23 N 2.25 0.00 0.02 -4.83 1.02 -1.26 -4.70 120.64 113.13 1wro n GLU 23 Ca -0.09 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 1wro n GLU 23 Cb 0.51 -0.33 -0.10 0.00 -0.02 0.00 0.00 31.44 31.50 1wro n GLU 23 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wro n SER 24 N -2.97 0.48 0.01 1.62 7.64 -1.26 -3.54 113.62 115.60 1wro n SER 24 Ca 0.00 0.20 -0.02 0.00 1.01 0.00 0.00 58.87 60.06 1wro n SER 24 Cb 0.26 0.89 0.25 0.00 -1.01 0.00 0.00 64.21 64.60 1wro n SER 24 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1wro h THR 25 N 0.00 1.23 0.05 0.44 2.02 -1.96 -0.56 112.91 114.13 1wro h THR 25 Ca -0.13 -1.05 -0.29 0.00 0.77 0.00 0.00 66.41 65.71 1wro h THR 25 Cb 1.37 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1wro h THR 25 CO 0.02 0.34 -1.56 1.56 0.37 0.00 0.00 175.52 176.25 1wro h GLN 26 N 0.45 0.10 -0.13 6.66 4.20 -1.84 -3.06 115.11 121.49 1wro h GLN 26 Ca 0.08 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1wro h GLN 26 Cb 0.52 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1wro h GLN 26 CO 0.03 0.83 -0.04 0.28 -0.67 0.00 0.00 178.83 179.27 1wro h VAL 27 N 0.03 1.30 0.32 -0.54 2.07 -1.58 -2.38 116.25 115.46 1wro h VAL 27 Ca -0.24 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1wro h VAL 27 Cb 1.97 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1wro h VAL 27 CO 0.11 0.29 -0.23 -0.33 0.02 0.00 0.00 177.57 177.43 1wro h GLU 28 N -0.07 -0.52 -0.65 1.57 5.08 -1.23 0.27 114.58 119.02 1wro h GLU 28 Ca 0.03 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.55 1wro h GLU 28 Cb 0.47 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1wro h GLU 28 CO 0.01 -0.35 0.18 0.93 -1.00 0.00 0.00 179.01 178.79 1wro h GLU 29 N -0.54 0.31 -0.44 2.33 5.08 -1.58 0.28 114.58 120.01 1wro h GLU 29 Ca -0.03 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1wro h GLU 29 Cb 0.47 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1wro h GLU 29 CO 0.01 0.20 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.99 1wro h LEU 30 N 0.32 0.84 -0.52 1.33 3.38 -1.05 -2.17 115.31 117.44 1wro h LEU 30 Ca 0.35 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1wro h LEU 30 Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1wro h LEU 30 CO -0.41 1.00 0.15 -0.33 0.09 0.00 0.00 178.44 178.94 1wro h GLU 31 N 0.74 0.81 0.00 1.13 5.08 0.11 -1.73 114.58 120.74 1wro h GLU 31 Ca 0.11 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1wro h GLU 31 Cb 0.67 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wro h GLU 31 CO 0.05 0.76 0.00 0.54 -1.00 0.00 0.00 179.01 179.36 1wro n ARG 32 N -4.47 0.13 -0.24 2.33 1.74 0.82 -1.35 116.66 115.62 1wro n ARG 32 Ca 0.02 0.42 0.11 0.00 -0.77 0.00 0.00 57.85 57.62 1wro n ARG 32 Cb 0.20 -1.78 0.27 0.00 -1.02 0.00 0.00 32.46 30.13 1wro n ARG 32 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wro n ASP 33 N -2.03 3.08 0.00 0.55 9.92 -0.73 -4.94 116.55 122.41 1wro n ASP 33 Ca 0.02 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 1wro n ASP 33 Cb 0.18 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 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 1.43 2.51 3.76 0.44 0.00 -0.46 -5.06 105.19 107.81 1wro n GLY 34 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.65 3.60 -0.05 1.61 0.52 -0.75 -4.88 118.94 116.34 1wro s TRP 35 Ca 0.00 1.69 -0.19 0.00 0.02 0.00 0.00 56.10 57.62 1wro s TRP 35 Cb 0.00 -3.27 -0.05 0.00 -1.15 0.00 0.00 33.47 29.00 1wro s TRP 35 CO 0.00 -0.52 0.54 0.15 0.02 0.00 0.00 176.95 177.15 1wro s LYS 36 N -1.29 4.30 0.04 4.98 -0.14 -0.23 -3.97 119.74 123.43 1wro s LYS 36 Ca 0.45 0.61 0.04 0.00 -1.36 0.00 0.00 55.97 55.71 1wro s LYS 36 Cb -0.31 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.43 1wro s LYS 36 CO 0.40 0.28 -0.13 0.08 -0.76 0.00 0.00 175.35 175.22 1wro s VAL 37 N 0.15 0.99 -0.01 3.17 1.01 -1.26 -1.53 120.40 122.91 1wro s VAL 37 Ca 0.29 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1wro s VAL 37 Cb -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1wro s VAL 37 CO 0.14 -0.09 0.05 0.00 0.00 0.00 0.00 175.10 175.20 1wro s LEU 39 N -0.16 1.98 0.33 0.00 1.43 -1.26 -1.96 118.68 119.04 1wro s LEU 39 Ca -0.02 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 1wro s LEU 39 Cb -0.02 -0.19 0.03 0.00 0.03 0.00 0.00 46.19 46.05 1wro s LEU 39 CO 0.00 0.04 0.69 -0.83 0.23 0.00 0.00 176.35 176.48 1wro s GLY 40 N -0.05 0.37 0.01 -3.19 0.00 -0.79 -5.00 107.32 98.68 1wro s GLY 40 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.04 1wro s GLY 40 CO -0.00 -0.36 -0.07 0.54 0.00 0.00 0.00 173.10 173.22 1wro s LYS 41 N -3.13 0.50 -0.17 2.90 1.02 -1.26 -0.34 119.74 119.25 1wro s LYS 41 Ca 0.17 -0.42 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 1wro s LYS 41 Cb -0.04 -0.41 0.06 0.00 -0.52 0.00 0.00 37.83 36.92 1wro s LYS 41 CO 0.11 0.10 0.42 0.54 -0.92 0.00 0.00 175.35 175.60 1wro s VAL 42 N -0.61 -0.02 -0.14 3.17 0.11 0.19 -4.98 120.40 118.13 1wro s VAL 42 Ca -0.02 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1wro s VAL 42 Cb -0.05 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1wro s VAL 42 CO 0.00 0.04 -0.21 -0.83 -3.33 0.00 0.00 175.10 170.77 1wro s GLY 43 N 1.38 1.32 0.07 6.54 0.00 -1.26 0.11 107.32 115.48 1wro s GLY 43 Ca -0.09 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.30 1wro s GLY 43 CO -0.13 0.01 1.10 -0.45 0.00 0.00 0.00 173.10 173.63 1wro s SER 44 N 0.84 -0.13 -0.04 1.64 0.15 -0.04 -5.00 113.70 111.12 1wro s SER 44 Ca -0.07 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.37 1wro s SER 44 Cb -0.15 0.34 0.09 0.00 -1.71 0.00 0.00 66.02 64.58 1wro s SER 44 CO -0.02 -0.63 0.98 1.15 1.20 0.00 0.00 173.24 175.92 1wro n MET 45 N -0.46 1.85 -4.34 5.44 0.00 -1.26 -1.15 117.12 117.19 1wro n MET 45 Ca -0.07 -1.64 -0.32 0.00 0.00 0.00 0.00 57.70 55.66 1wro n MET 45 Cb 0.62 -1.04 -0.16 0.00 0.00 0.00 0.00 33.22 32.63 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 -1.42 3.06 0.29 3.17 1.01 -1.26 -1.23 116.67 120.28 1wro s ASP 46 Ca 0.09 -0.61 0.01 0.00 0.71 0.00 0.00 52.55 52.75 1wro s ASP 46 Cb 0.08 -1.43 0.43 0.00 1.01 0.00 0.00 42.92 43.01 1wro s ASP 46 CO 0.01 0.03 1.78 0.00 0.21 0.00 0.00 175.17 177.20 1wro h ALA 47 N 7.68 1.18 0.00 5.23 0.00 -1.93 -2.91 119.26 128.51 1wro h ALA 47 Ca -0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1wro h ALA 47 Cb 1.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wro h ALA 47 CO 0.59 0.53 -0.08 1.12 0.00 0.00 0.00 179.25 181.42 1wro h HIS 48 N 0.60 0.00 0.13 0.00 2.07 -1.99 -0.87 115.15 115.09 1wro h HIS 48 Ca 0.12 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.36 1wro h HIS 48 Cb 0.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 1wro h HIS 48 CO 0.02 0.08 -1.27 0.87 -3.07 0.00 0.00 177.93 174.56 1wro h LYS 49 N 0.00 0.27 -0.26 5.12 1.57 -1.94 -0.71 116.57 120.62 1wro h LYS 49 Ca -0.00 -0.46 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 1wro h LYS 49 Cb 0.25 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1wro h LYS 49 CO 0.01 1.21 -0.29 0.28 -0.57 0.00 0.00 179.45 180.09 1wro h VAL 50 N 0.07 1.28 -0.04 0.50 2.07 -1.34 -1.58 116.25 117.21 1wro h VAL 50 Ca -0.14 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 1wro h VAL 50 Cb 1.98 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1wro h VAL 50 CO 0.20 0.43 -0.19 0.40 0.02 0.00 0.00 177.57 178.43 1wro h ILE 51 N 0.45 1.47 -0.67 4.57 2.04 -1.16 -3.05 117.51 121.16 1wro h ILE 51 Ca 0.06 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 1wro h ILE 51 Cb 0.74 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1wro h ILE 51 CO 0.06 0.46 0.35 0.00 0.00 0.00 0.00 178.15 179.01 1wro h ALA 52 N 0.39 1.34 -0.38 1.87 0.00 -1.06 -1.58 119.26 119.84 1wro h ALA 52 Ca -0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1wro h ALA 52 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wro h ALA 52 CO 0.04 0.53 -0.16 0.00 0.00 0.00 0.00 179.25 179.65 1wro h ALA 53 N 1.44 0.54 -0.47 0.00 0.00 -1.36 -0.08 119.26 119.32 1wro h ALA 53 Ca 0.24 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1wro h ALA 53 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wro h ALA 53 CO -0.04 0.46 0.07 0.82 0.00 0.00 0.00 179.25 180.56 1wro h ILE 54 N 0.59 1.22 0.01 0.00 2.04 -1.36 0.69 117.51 120.70 1wro h ILE 54 Ca 0.09 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1wro h ILE 54 Cb 0.71 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1wro h ILE 54 CO 0.05 0.30 -0.01 -0.08 0.00 0.00 0.00 178.15 178.42 1wro h GLU 55 N 0.70 -0.02 -0.88 2.37 4.81 -1.14 -2.28 114.58 118.15 1wro h GLU 55 Ca 0.15 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1wro h GLU 55 Cb 0.33 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 1wro h GLU 55 CO 0.01 0.60 0.55 1.15 -0.73 0.00 0.00 179.01 180.59 1wro h THR 56 N -0.65 1.08 -0.19 0.32 2.02 -0.88 0.21 112.91 114.83 1wro h THR 56 Ca -0.00 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 1wro h THR 56 Cb 0.62 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1wro h THR 56 CO 0.00 0.19 -0.35 0.00 0.37 0.00 0.00 175.52 175.73 1wro h ALA 57 N 1.39 1.05 -0.22 6.16 0.00 -0.92 -1.33 119.26 125.41 1wro h ALA 57 Ca 0.37 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1wro h ALA 57 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wro h ALA 57 CO -0.15 0.59 -0.59 0.77 0.00 0.00 0.00 179.25 179.86 1wro h SER 58 N 0.34 0.80 0.92 0.00 0.02 -0.66 -2.27 113.55 112.70 1wro h SER 58 Ca 0.04 -0.45 -0.13 0.00 -0.84 0.00 0.00 61.79 60.41 1wro h SER 58 Cb 0.78 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1wro h SER 58 CO 0.06 1.21 -0.64 0.11 -1.14 0.00 0.00 176.83 176.44 1wro h LYS 59 N 0.53 0.00 0.00 3.45 1.57 -0.88 -0.28 116.57 120.96 1wro h LYS 59 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1wro h LYS 59 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1wro h LYS 59 CO 0.12 0.64 -1.13 0.87 -0.57 0.00 0.00 179.45 179.38 1wro h LYS 60 N 0.00 0.00 -0.02 3.15 1.57 -1.21 -3.26 116.57 116.80 1wro h LYS 60 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wro h LYS 60 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1wro h LYS 60 CO 0.08 0.90 -0.02 -1.13 -0.57 0.00 0.00 179.45 178.71 1wro n SER 61 N -3.29 1.55 -0.83 0.86 3.41 -0.86 -4.95 113.62 109.51 1wro n SER 61 Ca -0.03 -1.48 -0.08 0.00 -0.26 0.00 0.00 58.87 57.03 1wro n SER 61 Cb 0.96 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.92 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 1.20 0.14 0.07 5.00 0.00 -1.06 -4.88 105.19 105.66 1wro n GLY 62 Ca 0.18 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 1.61 -3.89 1.61 2.07 -1.36 -3.46 116.25 112.83 1wro h VAL 63 Ca -0.18 -3.32 -0.15 0.00 0.82 0.00 0.00 66.70 63.88 1wro h VAL 63 Cb 1.07 2.82 -0.19 0.00 -1.52 0.00 0.00 31.29 33.47 1wro h VAL 63 CO 0.21 0.92 -0.62 0.27 0.02 0.00 0.00 177.57 178.38 1wro s ILE 64 N -2.69 0.13 0.56 4.57 -4.36 -1.19 -4.84 121.20 113.37 1wro s ILE 64 Ca -0.00 -1.04 -0.21 0.00 -0.26 0.00 0.00 60.65 59.13 1wro s ILE 64 Cb 0.09 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 43.14 1wro s ILE 64 CO 0.83 -0.57 1.36 -1.10 0.24 0.00 0.00 174.94 175.70 1wro s GLN 65 N -2.08 3.05 0.03 0.37 -0.21 -1.26 -4.42 119.66 115.14 1wro s GLN 65 Ca -0.10 2.25 0.07 0.00 0.02 0.00 0.00 55.36 57.60 1wro s GLN 65 Cb -0.05 -2.21 -0.23 0.00 1.00 0.00 0.00 33.01 31.52 1wro s GLN 65 CO -0.03 -1.27 0.94 0.77 -2.12 0.00 0.00 175.29 173.59 1wro h SER 66 N 1.34 0.08 -3.47 5.90 0.02 -1.96 -3.43 113.55 112.02 1wro h SER 66 Ca -0.51 -0.11 -0.53 0.00 -0.84 0.00 0.00 61.79 59.80 1wro h SER 66 Cb 1.31 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 1wro h SER 66 CO 0.57 1.09 -0.02 -1.61 -1.14 0.00 0.00 176.83 175.72 1wro s GLU 67 N -2.65 4.00 0.00 3.45 8.01 -1.26 -4.97 118.70 125.29 1wro s GLU 67 Ca -0.03 0.56 0.00 0.00 0.01 0.00 0.00 54.97 55.50 1wro s GLU 67 Cb 0.09 -2.77 0.00 0.00 -4.31 0.00 0.00 34.13 27.14 1wro s GLU 67 CO 0.83 0.37 0.00 0.41 0.01 0.00 0.00 175.26 176.88 1wro n GLY 68 N 0.38 -0.96 0.10 -1.39 0.00 -1.26 -4.86 105.19 97.20 1wro n GLY 68 Ca -0.02 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.07 0.00 -0.33 1.61 9.36 -1.26 -4.62 117.16 120.84 1wro n TYR 69 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 1wro n TYR 69 Cb 0.00 -0.79 -0.03 0.00 -0.63 0.00 0.00 39.34 37.89 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 -3.09 -0.29 -0.00 2.98 0.63 -1.26 -0.43 116.66 115.20 1wro n ARG 70 Ca -0.36 1.24 -0.10 0.00 -0.92 0.00 0.00 57.85 57.72 1wro n ARG 70 Cb 0.89 -1.83 0.05 0.00 0.45 0.00 0.00 32.46 32.01 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 0.58 -0.35 -0.14 5.08 -1.89 -2.31 114.58 115.55 1wro h GLU 71 Ca 0.19 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1wro h GLU 71 Cb 0.40 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1wro h GLU 71 CO -0.79 0.97 -0.04 0.77 -1.00 0.00 0.00 179.01 178.93 1wro h SER 72 N 0.45 0.53 -0.41 1.42 0.02 -1.43 -1.95 113.55 112.18 1wro h SER 72 Ca 0.01 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 1wro h SER 72 Cb 1.09 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1wro h SER 72 CO 0.10 0.62 -0.15 -0.74 -1.14 0.00 0.00 176.83 175.52 1wro h HIS 73 N 0.53 0.99 -0.30 3.45 -0.00 -0.56 0.18 115.15 119.44 1wro h HIS 73 Ca 0.11 -0.21 -0.06 0.00 -0.00 0.00 0.00 60.37 60.21 1wro h HIS 73 Cb 0.39 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1wro h HIS 73 CO 0.01 0.97 -0.03 0.00 -0.00 0.00 0.00 177.93 178.88 1wro h ALA 74 N 1.03 0.41 -0.51 5.26 0.00 -1.01 -3.00 119.26 121.44 1wro h ALA 74 Ca 0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1wro h ALA 74 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1wro h ALA 74 CO 0.05 0.19 -0.10 1.25 0.00 0.00 0.00 179.25 180.64 1wro h LEU 75 N 0.33 0.93 -0.31 0.00 5.85 -1.26 -2.34 115.31 118.51 1wro h LEU 75 Ca 0.08 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1wro h LEU 75 Cb 0.50 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1wro h LEU 75 CO 0.02 1.04 0.12 0.22 -0.34 0.00 0.00 178.44 179.50 1wro h TYR 76 N 0.84 0.21 -0.10 1.25 3.20 -0.94 -0.08 116.97 121.35 1wro h TYR 76 Ca 0.14 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.90 1wro h TYR 76 Cb 0.63 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1wro h TYR 76 CO 0.04 0.10 -0.46 0.45 -1.64 0.00 0.00 178.16 176.65 1wro h HIS 77 N 0.26 0.30 -0.35 -3.82 3.86 -1.49 -1.00 115.15 112.91 1wro h HIS 77 Ca 0.13 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 1wro h HIS 77 Cb 0.09 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1wro h HIS 77 CO -0.13 0.67 -0.11 0.00 0.86 0.00 0.00 177.93 179.22 1wro h ALA 78 N 1.32 0.49 -0.35 2.45 0.00 -1.09 -0.79 119.26 121.28 1wro h ALA 78 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wro h ALA 78 Cb 0.89 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1wro h ALA 78 CO 0.07 0.36 0.23 1.15 0.00 0.00 0.00 179.25 181.06 1wro h THR 79 N 0.49 1.10 -0.32 0.00 2.02 -0.79 -0.68 112.91 114.72 1wro h THR 79 Ca 0.09 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1wro h THR 79 Cb 0.63 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1wro h THR 79 CO 0.04 0.09 0.05 0.24 0.37 0.00 0.00 175.52 176.31 1wro h MET 80 N 0.47 0.15 0.00 6.66 2.86 -1.00 0.69 114.93 124.75 1wro h MET 80 Ca 0.13 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1wro h MET 80 Cb -0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1wro h MET 80 CO -0.03 0.10 -0.08 0.93 1.06 0.00 0.00 176.91 178.89 1wro h GLU 81 N 0.15 0.00 0.21 1.72 5.08 -0.63 -1.44 114.58 119.68 1wro h GLU 81 Ca 0.15 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.23 1wro h GLU 81 Cb 0.18 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.46 1wro h GLU 81 CO -0.21 0.08 -1.25 0.00 -1.00 0.00 0.00 179.01 176.63 1wro h ALA 82 N 1.92 -0.13 -0.43 3.43 0.00 0.44 -3.19 119.26 121.30 1wro h ALA 82 Ca -0.00 -0.81 0.13 0.00 0.00 0.00 0.00 54.91 54.23 1wro h ALA 82 Cb 0.18 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1wro h ALA 82 CO 0.01 0.58 0.34 -0.07 0.00 0.00 0.00 179.25 180.11 1wro h LEU 83 N -0.05 0.00 0.33 0.00 3.38 0.13 -2.61 115.31 116.50 1wro h LEU 83 Ca -0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1wro h LEU 83 Cb 1.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 1wro h LEU 83 CO 0.23 0.00 -0.20 0.45 0.09 0.00 0.00 178.44 179.01 1wro h HIS 84 N 0.00 -0.52 -0.04 1.13 3.86 -1.30 -1.16 115.15 117.12 1wro h HIS 84 Ca 0.21 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1wro h HIS 84 Cb 0.88 0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.53 1wro h HIS 84 CO 0.00 -0.31 0.04 0.78 0.86 0.00 0.00 177.93 179.30 1wro h GLY 85 N -0.51 0.00 0.62 2.45 0.00 -1.60 0.48 103.07 104.52 1wro h GLY 85 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 1wro h GLY 85 CO 0.04 0.00 -1.25 -2.08 0.00 0.00 0.00 176.54 173.25 1wro h VAL 86 N 0.00 1.18 0.00 4.60 2.07 -1.18 -3.38 116.25 119.54 1wro h VAL 86 Ca 0.02 -2.45 -0.10 0.00 0.82 0.00 0.00 66.70 64.99 1wro h VAL 86 Cb 0.11 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1wro h VAL 86 CO -0.00 0.71 -0.58 0.71 0.02 0.00 0.00 177.57 178.43 1wro h THR 87 N -0.30 0.71 -6.47 2.57 1.35 -0.84 -3.47 112.91 106.45 1wro h THR 87 Ca -0.26 -2.04 -0.43 0.00 -0.55 0.00 0.00 66.41 63.14 1wro h THR 87 Cb 1.75 2.31 0.02 0.00 -1.73 0.00 0.00 68.15 70.49 1wro h THR 87 CO 0.09 0.40 -0.88 0.54 -0.25 0.00 0.00 175.52 175.42 1wro n ARG 88 N -3.16 -1.16 0.00 4.72 1.74 0.16 -3.87 116.66 115.09 1wro n ARG 88 Ca 0.01 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 1wro n ARG 88 Cb 0.72 -3.27 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 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 -1.77 3.32 2.95 -0.13 0.00 -1.26 -5.04 105.19 103.27 1wro n GLY 89 Ca -0.18 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 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 1.72 -1.43 1.61 0.41 -1.25 -5.03 118.70 114.73 1wro s GLU 90 Ca 0.00 -0.35 -0.11 0.00 -0.41 0.00 0.00 54.97 54.10 1wro s GLU 90 Cb 0.00 -1.66 -0.05 0.00 -1.78 0.00 0.00 34.13 30.64 1wro s GLU 90 CO 0.00 -0.20 2.59 -0.12 -0.49 0.00 0.00 175.26 177.04 1wro n MET 91 N 4.67 3.12 -4.01 1.61 1.56 -1.26 -4.74 117.12 118.07 1wro n MET 91 Ca -0.15 -2.18 -0.10 0.00 -0.27 0.00 0.00 57.70 54.99 1wro n MET 91 Cb 0.50 -2.89 -0.11 0.00 2.15 0.00 0.00 33.22 32.88 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 0.76 2.25 0.00 -0.89 1.43 -1.26 -4.98 118.68 115.99 1wro s LEU 92 Ca 0.59 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1wro s LEU 92 Cb 0.16 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.40 1wro s LEU 92 CO -0.05 -0.28 0.00 0.18 0.23 0.00 0.00 176.35 176.43 1wro n LEU 93 N 1.51 0.00 -0.30 1.79 4.77 -1.26 -4.78 117.00 118.72 1wro n LEU 93 Ca -0.23 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1wro n LEU 93 Cb 0.55 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.90 1wro n LEU 93 CO 0.20 0.00 1.10 1.23 -1.33 0.00 0.00 177.39 178.59 1wro h GLY 94 N 0.00 1.47 1.88 -0.72 0.00 0.45 0.14 103.07 106.29 1wro h GLY 94 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1wro h GLY 94 CO 0.00 -0.10 0.06 1.48 0.00 0.00 0.00 176.54 177.98 1wro h SER 95 N 0.59 0.00 -0.36 0.19 4.64 -1.85 0.36 113.55 117.12 1wro h SER 95 Ca 0.50 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.70 1wro h SER 95 Cb 0.78 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.80 1wro h SER 95 CO -0.40 0.00 0.01 0.18 -0.87 0.00 0.00 176.83 175.75 1wro n LEU 96 N -3.15 4.21 -3.59 5.97 4.77 0.41 -4.96 117.00 120.66 1wro n LEU 96 Ca -0.03 -3.42 -0.26 0.00 -0.03 0.00 0.00 56.01 52.28 1wro n LEU 96 Cb 0.13 -0.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1wro n LEU 96 CO 0.20 0.97 0.15 -0.11 -1.33 0.00 0.00 177.39 177.27 1wro n LEU 97 N -0.84 -2.90 -4.06 2.23 7.94 0.13 -4.99 117.00 114.51 1wro n LEU 97 Ca 0.30 -0.57 -0.12 0.00 -1.11 0.00 0.00 56.01 54.51 1wro n LEU 97 Cb 1.02 -2.82 -0.11 0.00 0.53 0.00 0.00 43.42 42.04 1wro n LEU 97 CO 0.20 0.50 -0.39 0.00 -1.11 0.00 0.00 177.39 176.59 1wro s ARG 98 N -6.30 0.53 0.06 1.96 1.70 -0.72 -4.46 118.95 111.72 1wro s ARG 98 Ca 0.56 -0.82 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 1wro s ARG 98 Cb -0.26 -0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 33.90 1wro s ARG 98 CO 0.69 0.01 -0.05 -0.08 -1.08 0.00 0.00 175.30 174.80 1wro s THR 99 N -1.80 0.38 0.10 4.99 -1.32 0.08 -0.84 115.64 117.24 1wro s THR 99 Ca -0.08 -1.65 0.06 0.00 -1.21 0.00 0.00 61.69 58.82 1wro s THR 99 Cb -0.07 -1.30 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 1wro s THR 99 CO -0.01 -0.83 -0.15 0.68 -2.21 0.00 0.00 174.62 172.10 1wro s VAL 100 N -3.22 1.33 -0.31 5.08 -7.23 -0.30 -1.60 120.40 114.15 1wro s VAL 100 Ca 0.03 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1wro s VAL 100 Cb 0.03 -1.40 0.09 0.00 0.56 0.00 0.00 36.38 35.67 1wro s VAL 100 CO -0.06 -0.30 0.05 -0.83 -0.31 0.00 0.00 175.10 173.66 1wro s GLY 101 N -2.14 1.46 0.14 2.32 0.00 -0.61 -0.86 107.32 107.64 1wro s GLY 101 Ca 0.05 -1.98 0.08 0.00 0.00 0.00 0.00 44.72 42.88 1wro s GLY 101 CO 0.03 1.22 -0.12 1.08 0.00 0.00 0.00 173.10 175.31 1wro s LEU 102 N 1.29 2.90 -0.06 0.66 1.43 0.30 -1.94 118.68 123.25 1wro s LEU 102 Ca 0.08 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1wro s LEU 102 Cb -0.18 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1wro s LEU 102 CO -0.15 0.14 -0.20 -0.60 0.23 0.00 0.00 176.35 175.77 1wro s ARG 103 N -2.48 2.64 0.25 1.70 3.52 0.28 0.57 118.95 125.43 1wro s ARG 103 Ca 0.22 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 1wro s ARG 103 Cb -0.10 -2.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.95 1wro s ARG 103 CO 0.13 0.43 0.04 -0.59 -0.81 0.00 0.00 175.30 174.51 1wro s PHE 104 N -0.27 1.58 -0.02 5.12 -0.12 0.53 -0.83 117.98 123.98 1wro s PHE 104 Ca 0.00 -1.03 -0.12 0.00 -0.05 0.00 0.00 56.93 55.73 1wro s PHE 104 Cb -0.13 -0.94 0.02 0.00 -0.63 0.00 0.00 43.02 41.34 1wro s PHE 104 CO 0.03 -0.16 0.25 0.00 -0.05 0.00 0.00 175.22 175.29 1wro s ALA 105 N -3.55 -0.62 -0.05 1.99 0.00 -0.39 -1.88 121.76 117.27 1wro s ALA 105 Ca 0.33 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 1wro s ALA 105 Cb 0.07 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1wro s ALA 105 CO 0.11 -0.23 0.01 0.08 0.00 0.00 0.00 175.76 175.73 1wro s VAL 106 N -1.21 0.22 -0.05 0.00 1.01 -0.83 -0.26 120.40 119.29 1wro s VAL 106 Ca -0.13 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1wro s VAL 106 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1wro s VAL 106 CO 0.03 0.20 -0.23 -0.76 0.00 0.00 0.00 175.10 174.33 1wro s LEU 107 N 1.53 2.17 -0.09 3.92 1.02 0.24 -1.67 118.68 125.81 1wro s LEU 107 Ca -0.02 -0.46 -0.00 0.00 0.02 0.00 0.00 54.13 53.66 1wro s LEU 107 Cb -0.13 -1.40 0.02 0.00 0.02 0.00 0.00 46.19 44.71 1wro s LEU 107 CO -0.03 0.27 -0.05 -0.60 0.02 0.00 0.00 176.35 175.96 1wro s ARG 108 N -0.31 1.13 0.00 1.70 3.00 -0.58 -0.02 118.95 123.87 1wro s ARG 108 Ca 0.01 -0.12 0.00 0.00 -1.00 0.00 0.00 55.73 54.62 1wro s ARG 108 Cb -0.13 -1.27 0.00 0.00 0.00 0.00 0.00 34.95 33.55 1wro s ARG 108 CO 0.02 -0.24 0.00 0.41 0.00 0.00 0.00 175.30 175.50 1wro n GLY 109 N 4.83 -1.69 3.58 8.12 0.00 -0.60 -1.07 105.19 118.36 1wro n GLY 109 Ca -0.13 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.14 6.12 0.00 1.61 3.84 -1.26 -0.62 114.94 123.49 1wro s ASN 110 Ca 0.00 -0.02 0.26 0.00 0.21 0.00 0.00 52.86 53.31 1wro s ASN 110 Cb 0.00 -2.16 0.64 0.00 -0.55 0.00 0.00 41.25 39.17 1wro s ASN 110 CO 0.00 -0.17 1.50 -0.81 -2.79 0.00 0.00 177.10 174.83 1wro n PRO 111 N 5.21 1.43 -3.14 0.43 -0.04 -1.26 -4.94 135.00 132.69 1wro n PRO 111 Ca -0.11 -0.98 -0.21 0.00 -0.04 0.00 0.00 63.50 62.16 1wro n PRO 111 Cb 0.51 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.24 3.10 0.08 0.54 1.51 -1.26 0.19 117.35 119.27 1wro s TYR 112 Ca 0.29 -0.03 -0.16 0.00 -1.01 0.00 0.00 57.07 56.16 1wro s TYR 112 Cb 0.20 -2.25 -0.12 0.00 -0.11 0.00 0.00 41.96 39.68 1wro s TYR 112 CO 0.43 -0.29 1.36 0.93 -1.11 0.00 0.00 175.55 176.87 1wro h GLU 113 N 0.57 0.64 -6.59 -0.62 5.08 -1.59 -3.42 114.58 108.65 1wro h GLU 113 Ca -0.45 -0.39 -0.52 0.00 -1.00 0.00 0.00 59.36 57.00 1wro h GLU 113 Cb 1.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1wro h GLU 113 CO 0.54 1.00 0.42 0.45 -1.00 0.00 0.00 179.01 180.43 1wro s SER 114 N -6.59 7.37 0.20 1.42 0.15 -1.26 -4.94 113.70 110.05 1wro s SER 114 Ca -0.12 1.92 0.26 0.00 0.70 0.00 0.00 55.95 58.71 1wro s SER 114 Cb 0.08 -2.59 0.87 0.00 -1.71 0.00 0.00 66.02 62.67 1wro s SER 114 CO 0.83 -0.17 1.77 -1.84 1.20 0.00 0.00 173.24 175.03 1wro n GLU 115 N 2.77 0.23 0.00 5.44 -0.00 -1.26 -3.04 120.64 124.77 1wro n GLU 115 Ca 0.03 0.24 0.09 0.00 -0.00 0.00 0.00 57.16 57.52 1wro n GLU 115 Cb 0.48 -1.79 0.44 0.00 -0.00 0.00 0.00 31.44 30.57 1wro n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wro n ALA 116 N -1.76 1.94 0.31 -1.84 0.00 -1.26 -2.27 120.51 115.63 1wro n ALA 116 Ca 0.05 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1wro n ALA 116 Cb 0.38 -1.29 0.26 0.00 0.00 0.00 0.00 19.45 18.80 1wro n ALA 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wro h GLU 117 N 0.00 0.00 0.00 0.00 4.39 -1.95 -3.49 114.58 113.53 1wro h GLU 117 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wro h GLU 117 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1wro h GLU 117 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1wro n GLY 118 N 1.04 -0.15 3.87 -3.84 0.00 -0.96 -4.83 105.19 100.31 1wro n GLY 118 Ca 0.04 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.00 6.65 0.11 1.61 1.01 -1.26 -4.17 116.67 116.63 1wro s ASP 119 Ca 0.00 1.02 0.04 0.00 0.71 0.00 0.00 52.55 54.31 1wro s ASP 119 Cb 0.00 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1wro s ASP 119 CO 0.00 -0.13 -0.09 0.26 0.21 0.00 0.00 175.17 175.42 1wro s TRP 120 N -1.90 1.09 -0.03 4.23 0.52 0.21 -1.85 118.94 121.21 1wro s TRP 120 Ca 0.49 -0.75 0.05 0.00 0.02 0.00 0.00 56.10 55.91 1wro s TRP 120 Cb -0.11 -0.59 -0.01 0.00 -1.15 0.00 0.00 33.47 31.62 1wro s TRP 120 CO 0.21 -0.00 -0.17 -1.50 0.02 0.00 0.00 176.95 175.51 1wro s ILE 121 N -3.02 1.35 -0.13 2.03 2.07 -0.12 -1.56 121.20 121.82 1wro s ILE 121 Ca 0.11 -0.70 0.02 0.00 -1.41 0.00 0.00 60.65 58.67 1wro s ILE 121 Cb 0.01 -1.15 0.01 0.00 0.13 0.00 0.00 42.46 41.46 1wro s ILE 121 CO -0.01 0.39 -0.20 0.00 -1.91 0.00 0.00 174.94 173.21 1wro s ALA 122 N -0.12 2.08 -0.21 1.50 0.00 0.97 -1.87 121.76 124.10 1wro s ALA 122 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1wro s ALA 122 Cb -0.09 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 1wro s ALA 122 CO 0.01 -0.08 0.04 0.08 0.00 0.00 0.00 175.76 175.82 1wro s VAL 123 N 0.92 4.31 -0.02 0.00 1.01 -0.19 -0.59 120.40 125.85 1wro s VAL 123 Ca -0.06 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1wro s VAL 123 Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1wro s VAL 123 CO -0.03 0.40 -0.23 -0.44 0.00 0.00 0.00 175.10 174.80 1wro s SER 124 N 1.06 2.67 0.01 3.32 0.01 0.64 -0.37 113.70 121.05 1wro s SER 124 Ca 0.03 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 56.93 1wro s SER 124 Cb -0.14 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 1wro s SER 124 CO 0.03 0.28 -0.16 -0.76 0.41 0.00 0.00 173.24 173.03 1wro s LEU 125 N -0.53 2.09 -0.14 2.44 1.43 0.51 -1.26 118.68 123.22 1wro s LEU 125 Ca 0.09 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 1wro s LEU 125 Cb -0.09 -0.78 0.04 0.00 0.03 0.00 0.00 46.19 45.39 1wro s LEU 125 CO -0.01 0.14 0.45 -0.47 0.23 0.00 0.00 176.35 176.70 1wro s TYR 126 N -0.58 -0.47 -4.49 0.29 5.04 -0.01 -2.47 117.35 114.67 1wro s TYR 126 Ca 0.05 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 1wro s TYR 126 Cb -0.07 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.42 1wro s TYR 126 CO 0.00 -0.29 0.00 0.41 -1.34 0.00 0.00 175.55 174.33 1wro n GLY 127 N 2.48 -0.40 3.44 8.97 0.00 -1.07 0.10 105.19 118.71 1wro n GLY 127 Ca -0.15 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 2.58 -0.07 2.61 -4.23 -0.82 -0.29 115.64 111.41 1wro s THR 128 Ca 0.00 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1wro s THR 128 Cb 0.00 -2.16 0.02 0.00 1.34 0.00 0.00 72.50 71.70 1wro s THR 128 CO 0.00 0.11 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.65 1wro s ILE 129 N -1.09 0.60 0.00 2.99 2.07 -0.24 -1.57 121.20 123.96 1wro s ILE 129 Ca 0.16 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1wro s ILE 129 Cb -0.10 -0.68 0.00 0.00 0.13 0.00 0.00 42.46 41.81 1wro s ILE 129 CO 0.08 0.28 0.00 0.61 -1.91 0.00 0.00 174.94 174.00 1wro n GLY 130 N 4.75 1.88 3.68 1.50 0.00 -0.63 -2.44 105.19 113.94 1wro n GLY 130 Ca -0.14 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 1.11 0.00 4.61 0.00 0.32 -0.74 121.76 126.05 1wro s ALA 131 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1wro s ALA 131 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1wro s ALA 131 CO 0.00 -2.71 0.59 -2.30 0.00 0.00 0.00 175.76 171.34 1wro n PRO 132 N -4.11 0.46 -3.72 0.00 -0.02 -1.26 -4.58 135.00 121.76 1wro n PRO 132 Ca 0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.37 1wro n PRO 132 Cb 0.56 -1.27 -0.16 0.00 -0.02 0.00 0.00 33.50 32.61 1wro n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wro s ILE 133 N 0.68 -0.10 0.51 4.25 1.01 -1.26 -5.13 121.20 121.17 1wro s ILE 133 Ca 0.00 0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.73 1wro s ILE 133 Cb 0.00 -0.15 -0.07 0.00 0.01 0.00 0.00 42.46 42.25 1wro s ILE 133 CO 0.00 0.13 1.10 2.29 0.00 0.00 0.00 174.94 178.46 1wro n LYS 134 N 4.70 1.35 0.00 2.79 -0.00 -1.26 -1.88 118.16 123.86 1wro n LYS 134 Ca -0.17 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 1wro n LYS 134 Cb 0.50 -2.24 0.00 0.00 -0.00 0.00 0.00 35.03 33.29 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 1.08 2.36 3.21 2.58 0.00 -1.26 -4.90 105.19 108.26 1wro n GLY 135 Ca 0.11 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 5.81 0.00 0.99 4.77 -0.79 -4.84 117.00 122.95 1wro n LEU 136 Ca 0.00 -4.33 0.00 0.00 -0.03 0.00 0.00 56.01 51.65 1wro n LEU 136 Cb 0.00 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.47 1wro n LEU 136 CO 0.00 0.83 0.01 -1.84 -1.33 0.00 0.00 177.39 175.06 1wro n GLU 137 N 5.88 0.00 -2.32 3.23 0.00 -1.26 -0.52 120.64 125.65 1wro n GLU 137 Ca 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 57.16 57.54 1wro n GLU 137 Cb 0.41 0.01 0.01 0.00 0.00 0.00 0.00 31.44 31.88 1wro n GLU 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1wro n HIS 138 N -0.01 -1.58 -2.27 -1.84 1.44 -1.02 -4.97 115.22 104.97 1wro n HIS 138 Ca 0.00 -0.88 -0.32 0.00 -2.01 0.00 0.00 57.72 54.51 1wro n HIS 138 Cb 0.00 0.42 -0.02 0.00 0.12 0.00 0.00 29.99 30.51 1wro n HIS 138 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1wro s GLU 139 N -2.07 3.78 -0.16 -1.40 2.02 -1.26 -1.08 118.70 118.53 1wro s GLU 139 Ca 0.08 0.99 -0.11 0.00 0.02 0.00 0.00 54.97 55.95 1wro s GLU 139 Cb -0.02 -2.11 0.05 0.00 0.10 0.00 0.00 34.13 32.15 1wro s GLU 139 CO 0.06 -0.42 0.39 -0.08 0.02 0.00 0.00 175.26 175.23 1wro s THR 140 N -2.64 -0.02 0.30 3.63 -1.32 0.60 -4.70 115.64 111.49 1wro s THR 140 Ca 0.60 0.06 0.11 0.00 -1.21 0.00 0.00 61.69 61.25 1wro s THR 140 Cb -0.11 -0.57 -0.05 0.00 -1.51 0.00 0.00 72.50 70.25 1wro s THR 140 CO 0.35 0.03 -0.11 -0.36 -2.21 0.00 0.00 174.62 172.31 1wro s PHE 141 N 0.97 2.43 -0.29 9.09 0.40 -1.26 -2.61 117.98 126.71 1wro s PHE 141 Ca -0.06 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.76 1wro s PHE 141 Cb -0.07 -1.19 0.13 0.00 0.51 0.00 0.00 43.02 42.41 1wro s PHE 141 CO -0.08 0.63 0.85 0.20 0.70 0.00 0.00 175.22 177.53 1wro s GLY 142 N -3.60 -0.34 -0.10 4.36 0.00 -1.03 -2.10 107.32 104.51 1wro s GLY 142 Ca 0.32 2.80 0.00 0.00 0.00 0.00 0.00 44.72 47.83 1wro s GLY 142 CO 0.17 2.84 -0.08 0.14 0.00 0.00 0.00 173.10 176.17 1wro s VAL 143 N 2.06 1.00 -0.03 1.40 1.01 -1.26 -0.36 120.40 124.21 1wro s VAL 143 Ca -0.07 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1wro s VAL 143 Cb -0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1wro s VAL 143 CO -0.18 0.36 -0.14 -0.83 0.00 0.00 0.00 175.10 174.32 1wro s GLY 144 N 1.51 1.57 -0.04 4.51 0.00 0.50 -4.33 107.32 111.03 1wro s GLY 144 Ca 0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 1wro s GLY 144 CO -0.06 -0.81 0.01 -0.42 0.00 0.00 0.00 173.10 171.82 1wro s ILE 145 N -0.79 0.18 0.14 0.90 1.01 -1.26 -1.02 121.20 120.36 1wro s ILE 145 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 1wro s ILE 145 Cb -0.11 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1wro s ILE 145 CO 0.02 0.17 0.07 0.21 0.00 0.00 0.00 174.94 175.41 1wro s ASN 146 N 1.31 0.28 0.06 3.58 2.47 -0.78 -4.90 114.94 116.96 1wro s ASN 146 Ca -0.06 -1.23 -0.04 0.00 0.42 0.00 0.00 52.86 51.95 1wro s ASN 146 Cb -0.13 0.31 -0.05 0.00 -1.45 0.00 0.00 41.25 39.93 1wro s ASN 146 CO -0.02 -0.75 0.27 -1.38 -3.72 0.00 0.00 177.10 171.50 1wro s HIS 147 N -4.07 3.53 -2.24 0.43 -3.43 -1.26 -0.95 115.29 107.31 1wro s HIS 147 Ca 0.26 0.45 0.18 0.00 -0.80 0.00 0.00 55.06 55.16 1wro s HIS 147 Cb 0.07 -1.91 0.14 0.00 -1.43 0.00 0.00 32.58 29.45 1wro s HIS 147 CO 0.03 0.56 1.07 -0.89 -2.00 0.00 0.00 174.74 173.51