#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oug s SER 3 N 0.00 0.72 0.34 1.08 1.04 -0.73 -4.93 113.70 111.23 2oug s SER 3 Ca 0.00 -1.15 -0.12 0.00 0.48 0.00 0.00 55.95 55.16 2oug s SER 3 Cb 0.00 0.20 -0.07 0.00 0.10 0.00 0.00 66.02 66.25 2oug s SER 3 CO 0.00 -0.63 0.71 0.26 0.98 0.00 0.00 173.24 174.56 2oug s TRP 4 N -3.86 3.43 0.05 5.02 0.52 -1.26 -2.43 118.94 120.42 2oug s TRP 4 Ca 0.21 1.06 -0.08 0.00 0.02 0.00 0.00 56.10 57.31 2oug s TRP 4 Cb 0.07 -2.43 -0.00 0.00 -1.15 0.00 0.00 33.47 29.96 2oug s TRP 4 CO 0.00 0.04 0.16 0.71 0.02 0.00 0.00 176.95 177.88 2oug s TYR 5 N -2.13 0.14 -0.31 -1.98 1.51 0.16 -2.43 117.35 112.32 2oug s TYR 5 Ca 0.51 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2oug s TYR 5 Cb -0.10 -0.09 0.05 0.00 -0.11 0.00 0.00 41.96 41.71 2oug s TYR 5 CO 0.25 -0.45 0.01 -1.17 -1.11 0.00 0.00 175.55 173.08 2oug s LEU 6 N -2.37 3.98 -0.02 -1.29 0.20 -1.26 0.11 118.68 118.03 2oug s LEU 6 Ca -0.01 -1.30 -0.03 0.00 0.69 0.00 0.00 54.13 53.48 2oug s LEU 6 Cb 0.01 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 2oug s LEU 6 CO -0.07 -0.28 0.17 -0.76 -0.29 0.00 0.00 176.35 175.13 2oug s LEU 7 N 1.25 4.33 -0.10 -0.68 1.43 0.49 -1.64 118.68 123.76 2oug s LEU 7 Ca -0.04 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2oug s LEU 7 Cb -0.20 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 2oug s LEU 7 CO -0.01 0.27 -0.03 -0.47 0.23 0.00 0.00 176.35 176.34 2oug s TYR 8 N -1.29 3.05 0.17 0.29 5.04 -0.36 -0.18 117.35 124.08 2oug s TYR 8 Ca 0.26 0.01 0.08 0.00 -2.44 0.00 0.00 57.07 54.98 2oug s TYR 8 Cb -0.13 -1.81 -0.04 0.00 0.35 0.00 0.00 41.96 40.33 2oug s TYR 8 CO 0.17 0.29 -0.07 0.00 -1.34 0.00 0.00 175.55 174.60 2oug n LYS 10 N 0.05 0.27 -0.06 0.00 5.02 0.49 -4.81 118.16 119.12 2oug n LYS 10 Ca -0.11 0.16 0.01 0.00 -2.02 0.00 0.00 58.31 56.36 2oug n LYS 10 Cb 0.55 -2.27 0.03 0.00 -0.02 0.00 0.00 35.03 33.33 2oug n LYS 10 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2oug n ARG 11 N -2.44 -0.02 -0.61 1.97 3.00 -1.26 -1.79 116.66 115.52 2oug n ARG 11 Ca 0.13 0.28 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 2oug n ARG 11 Cb 0.50 -0.42 0.00 0.00 0.00 0.00 0.00 32.46 32.55 2oug n ARG 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2oug n GLY 12 N -1.11 0.55 1.41 5.14 0.00 -1.26 -4.84 105.19 105.09 2oug n GLY 12 Ca 0.03 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2oug n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oug n GLN 13 N 0.05 3.35 -0.06 1.61 6.02 -0.74 -4.55 117.38 123.06 2oug n GLN 13 Ca 0.01 -2.75 -0.09 0.00 -0.01 0.00 0.00 57.00 54.16 2oug n GLN 13 Cb 0.75 -1.74 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 2oug n GLN 13 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2oug h LEU 14 N 3.86 0.13 -0.25 1.08 6.46 -1.86 0.66 115.31 125.40 2oug h LEU 14 Ca 0.00 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 2oug h LEU 14 Cb 1.26 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.14 2oug h LEU 14 CO 0.15 0.11 -0.01 -0.61 -0.62 0.00 0.00 178.44 177.46 2oug h GLN 15 N 0.22 0.07 -0.50 1.25 5.75 -1.96 -0.35 115.11 119.59 2oug h GLN 15 Ca 0.10 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2oug h GLN 15 Cb 0.05 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2oug h GLN 15 CO -0.09 0.04 0.19 0.00 -2.65 0.00 0.00 178.83 176.32 2oug h ARG 16 N 0.07 0.76 -0.62 1.69 3.08 -1.76 -2.87 114.38 114.73 2oug h ARG 16 Ca 0.12 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2oug h ARG 16 Cb 0.16 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2oug h ARG 16 CO -0.21 0.68 0.30 0.00 -1.07 0.00 0.00 179.97 179.67 2oug h ALA 17 N 1.04 0.79 -0.80 0.04 0.00 -0.47 -2.67 119.26 117.19 2oug h ALA 17 Ca 0.16 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2oug h ALA 17 Cb 0.22 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2oug h ALA 17 CO -0.01 0.36 0.50 0.37 0.00 0.00 0.00 179.25 180.46 2oug h GLN 18 N 0.84 0.92 -0.36 0.00 4.15 -0.95 -1.13 115.11 118.57 2oug h GLN 18 Ca 0.21 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.59 2oug h GLN 18 Cb 0.12 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2oug h GLN 18 CO -0.03 0.61 0.21 0.93 -1.93 0.00 0.00 178.83 178.62 2oug h GLU 19 N 0.94 0.42 0.43 1.69 5.08 -1.26 -1.93 114.58 119.95 2oug h GLU 19 Ca 0.33 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2oug h GLU 19 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2oug h GLU 19 CO -0.14 0.28 -0.33 1.25 -1.00 0.00 0.00 179.01 179.07 2oug h HIS 20 N 0.43 -0.89 0.00 4.33 2.76 -1.02 0.90 115.15 121.66 2oug h HIS 20 Ca 0.14 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2oug h HIS 20 Cb -0.00 0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.29 2oug h HIS 20 CO -0.07 -0.49 0.00 -0.07 -1.30 0.00 0.00 177.93 176.00 2oug h LEU 21 N -0.76 0.00 0.06 0.26 3.38 -1.09 0.20 115.31 117.35 2oug h LEU 21 Ca -0.04 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.60 2oug h LEU 21 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2oug h LEU 21 CO 0.00 0.00 -1.85 -0.62 0.09 0.00 0.00 178.44 176.06 2oug n GLU 22 N -2.73 0.69 -0.01 1.13 1.02 -0.74 -0.95 120.64 119.05 2oug n GLU 22 Ca -0.02 0.28 -0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2oug n GLU 22 Cb 0.08 -1.75 0.29 0.00 -0.02 0.00 0.00 31.44 30.03 2oug n GLU 22 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oug h ARG 23 N 0.03 0.54 -7.20 3.49 2.47 0.82 -3.39 114.38 111.14 2oug h ARG 23 Ca -0.35 -0.12 -0.50 0.00 -1.26 0.00 0.00 59.98 57.75 2oug h ARG 23 Cb 2.03 -0.08 0.04 0.00 -1.65 0.00 0.00 29.97 30.31 2oug h ARG 23 CO 0.08 0.57 0.32 -1.14 0.56 0.00 0.00 179.97 180.36 2oug s GLN 24 N -4.97 3.64 0.00 0.04 0.74 0.52 -4.94 119.66 114.68 2oug s GLN 24 Ca -0.08 0.62 0.03 0.00 0.05 0.00 0.00 55.36 55.98 2oug s GLN 24 Cb 0.15 -2.18 0.18 0.00 1.10 0.00 0.00 33.01 32.27 2oug s GLN 24 CO 0.77 -0.41 0.66 0.00 -0.55 0.00 0.00 175.29 175.76 2oug n ALA 25 N -2.40 1.62 -1.77 1.58 0.00 -1.26 -4.75 120.51 113.53 2oug n ALA 25 Ca 0.04 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 2oug n ALA 25 Cb 0.54 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2oug n ALA 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oug s VAL 26 N -2.00 2.92 -0.11 0.00 1.01 -0.12 -4.97 120.40 117.12 2oug s VAL 26 Ca 0.05 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.77 2oug s VAL 26 Cb 0.02 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2oug s VAL 26 CO 0.04 0.22 0.46 0.20 0.00 0.00 0.00 175.10 176.02 2oug s ASN 27 N -0.60 6.69 0.17 3.32 0.01 -1.04 -3.95 114.94 119.54 2oug s ASN 27 Ca 0.48 0.82 0.09 0.00 -0.71 0.00 0.00 52.86 53.54 2oug s ASN 27 Cb -0.38 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 2oug s ASN 27 CO 0.50 0.04 -0.14 0.00 -1.51 0.00 0.00 177.10 175.99 2oug s LEU 29 N -2.66 -0.21 -0.65 0.00 2.96 -0.91 -4.98 118.68 112.23 2oug s LEU 29 Ca 0.23 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 2oug s LEU 29 Cb -0.09 0.52 0.17 0.00 0.50 0.00 0.00 46.19 47.29 2oug s LEU 29 CO 0.13 -0.34 0.48 0.00 -1.32 0.00 0.00 176.35 175.30 2oug n ALA 30 N 5.32 3.34 -1.61 5.97 0.00 -1.26 -2.35 120.51 129.92 2oug n ALA 30 Ca -0.04 -4.27 -0.38 0.00 0.00 0.00 0.00 53.44 48.75 2oug n ALA 30 Cb 0.49 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 19.01 2oug n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2oug n PRO 31 N 2.05 0.91 -4.33 0.00 -0.02 -1.26 -4.88 135.00 127.46 2oug n PRO 31 Ca 0.22 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.78 2oug n PRO 31 Cb 0.38 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 2oug n PRO 31 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2oug s MET 32 N -2.66 1.86 -0.07 -0.52 -1.94 -1.26 -0.93 119.30 113.78 2oug s MET 32 Ca 0.74 -1.34 0.04 0.00 -1.71 0.00 0.00 55.69 53.41 2oug s MET 32 Cb -0.43 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.36 2oug s MET 32 CO 0.48 0.43 -0.18 0.42 -0.01 0.00 0.00 175.02 176.16 2oug s ILE 33 N -1.65 1.54 -0.42 2.53 -1.09 0.23 -4.61 121.20 117.74 2oug s ILE 33 Ca 0.23 -0.74 -0.21 0.00 -2.23 0.00 0.00 60.65 57.70 2oug s ILE 33 Cb -0.09 -1.35 0.02 0.00 -1.58 0.00 0.00 42.46 39.46 2oug s ILE 33 CO 0.13 0.44 0.67 -0.89 -1.23 0.00 0.00 174.94 174.06 2oug s THR 34 N 0.35 4.82 0.16 2.92 2.01 -1.26 -1.07 115.64 123.57 2oug s THR 34 Ca -0.12 0.31 0.08 0.00 0.31 0.00 0.00 61.69 62.26 2oug s THR 34 Cb -0.15 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2oug s THR 34 CO 0.05 -0.53 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.52 2oug s LEU 35 N 2.87 2.45 -0.62 4.42 1.43 0.74 -4.91 118.68 125.06 2oug s LEU 35 Ca 0.24 -0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 52.29 2oug s LEU 35 Cb -0.14 -0.76 0.13 0.00 0.03 0.00 0.00 46.19 45.45 2oug s LEU 35 CO 0.18 -0.07 0.66 -1.61 0.23 0.00 0.00 176.35 175.74 2oug s GLU 36 N -2.90 3.11 0.24 1.70 2.02 -1.26 0.13 118.70 121.75 2oug s GLU 36 Ca 0.16 -1.61 0.11 0.00 0.02 0.00 0.00 54.97 53.64 2oug s GLU 36 Cb -0.05 -4.33 -0.05 0.00 0.10 0.00 0.00 34.13 29.81 2oug s GLU 36 CO 0.06 -1.45 -0.12 0.21 0.02 0.00 0.00 175.26 173.98 2oug s LYS 37 N 2.02 1.93 -0.40 1.61 2.20 -1.14 -4.93 119.74 121.02 2oug s LYS 37 Ca 0.10 -1.53 -0.28 0.00 -0.36 0.00 0.00 55.97 53.91 2oug s LYS 37 Cb -0.24 -1.98 0.02 0.00 -1.51 0.00 0.00 37.83 34.12 2oug s LYS 37 CO 0.03 0.37 1.03 0.42 -0.36 0.00 0.00 175.35 176.84 2oug s ILE 38 N -2.18 4.43 0.00 5.43 1.01 -1.26 -2.01 121.20 126.62 2oug s ILE 38 Ca 0.28 1.28 0.00 0.00 0.00 0.00 0.00 60.65 62.21 2oug s ILE 38 Cb -0.07 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.95 2oug s ILE 38 CO 0.16 -0.71 0.00 0.52 0.00 0.00 0.00 174.94 174.91 2oug n VAL 39 N 6.28 0.00 -3.31 2.92 0.31 -0.02 -4.83 118.33 119.69 2oug n VAL 39 Ca 0.10 0.38 -0.25 0.00 -0.01 0.00 0.00 64.34 64.56 2oug n VAL 39 Cb 0.48 -1.18 -0.08 0.00 -0.91 0.00 0.00 33.84 32.15 2oug n VAL 39 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2oug n ARG 40 N -1.73 0.84 0.00 5.55 1.74 -1.26 -4.83 116.66 116.98 2oug n ARG 40 Ca 0.00 -3.44 0.00 0.00 -0.77 0.00 0.00 57.85 53.64 2oug n ARG 40 Cb 0.00 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2oug n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oug n GLY 41 N 1.75 1.67 3.69 -0.13 0.00 -1.26 -4.94 105.19 105.98 2oug n GLY 41 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 2oug n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oug s LYS 42 N 0.00 2.78 -1.30 1.61 1.02 -1.26 -5.02 119.74 117.56 2oug s LYS 42 Ca 0.00 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.24 2oug s LYS 42 Cb 0.00 -2.67 0.14 0.00 -0.52 0.00 0.00 37.83 34.78 2oug s LYS 42 CO 0.00 0.61 1.85 0.54 -0.92 0.00 0.00 175.35 177.44 2oug n ARG 43 N 1.24 3.39 -3.15 1.68 1.74 -1.26 -0.84 116.66 119.47 2oug n ARG 43 Ca -0.14 -3.39 -0.39 0.00 -0.77 0.00 0.00 57.85 53.16 2oug n ARG 43 Cb 0.53 -3.06 -0.05 0.00 -1.02 0.00 0.00 32.46 28.85 2oug n ARG 43 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2oug s THR 44 N 1.44 5.01 0.36 0.55 2.01 -0.85 -4.79 115.64 119.37 2oug s THR 44 Ca 0.43 1.30 -0.28 0.00 0.31 0.00 0.00 61.69 63.44 2oug s THR 44 Cb 0.08 -3.97 -0.11 0.00 0.01 0.00 0.00 72.50 68.51 2oug s THR 44 CO -0.01 0.33 1.41 0.00 -0.69 0.00 0.00 174.62 175.66 2oug s ALA 45 N 0.38 3.54 0.17 7.40 0.00 -1.26 -2.90 121.76 129.09 2oug s ALA 45 Ca 0.33 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.76 2oug s ALA 45 Cb -0.18 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 2oug s ALA 45 CO 0.17 -0.89 0.00 0.08 0.00 0.00 0.00 175.76 175.12 2oug s VAL 46 N -1.13 0.67 -0.23 0.00 1.01 0.35 -4.94 120.40 116.12 2oug s VAL 46 Ca 0.51 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.52 2oug s VAL 46 Cb -0.44 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 33.90 2oug s VAL 46 CO 0.59 -0.48 -0.04 -0.55 0.00 0.00 0.00 175.10 174.61 2oug s SER 47 N -3.17 3.71 0.35 3.32 0.15 -1.26 -0.19 113.70 116.61 2oug s SER 47 Ca 0.24 -1.12 0.07 0.00 0.70 0.00 0.00 55.95 55.83 2oug s SER 47 Cb 0.06 -1.09 -0.07 0.00 -1.71 0.00 0.00 66.02 63.21 2oug s SER 47 CO 0.04 -0.25 -0.02 -1.61 1.20 0.00 0.00 173.24 172.60 2oug s GLU 48 N 1.46 1.78 0.32 5.44 8.01 -0.24 -4.90 118.70 130.57 2oug s GLU 48 Ca -0.05 -1.96 -0.29 0.00 0.01 0.00 0.00 54.97 52.68 2oug s GLU 48 Cb -0.19 -1.40 -0.10 0.00 -4.31 0.00 0.00 34.13 28.13 2oug s GLU 48 CO -0.06 -0.01 1.39 -2.14 0.01 0.00 0.00 175.26 174.45 2oug s PRO 49 N -3.73 4.26 0.11 0.39 0.02 -1.26 0.78 135.00 135.58 2oug s PRO 49 Ca 0.34 2.34 -0.26 0.00 0.02 0.00 0.00 61.00 63.44 2oug s PRO 49 Cb 0.07 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.45 2oug s PRO 49 CO 0.16 -0.35 1.66 1.25 -0.33 0.00 0.00 177.00 179.39 2oug h LEU 50 N 3.74 -0.55 -7.30 -5.54 6.46 -1.29 -3.36 115.31 107.48 2oug h LEU 50 Ca -0.49 0.07 -0.61 0.00 -0.12 0.00 0.00 57.88 56.73 2oug h LEU 50 Cb 1.23 0.21 -0.40 0.00 -0.73 0.00 0.00 40.66 40.97 2oug h LEU 50 CO 0.69 -0.27 -0.74 -0.36 -0.62 0.00 0.00 178.44 177.14 2oug s PHE 51 N -6.11 2.42 0.00 1.25 0.40 -1.26 -4.42 117.98 110.26 2oug s PHE 51 Ca -0.15 -2.27 0.00 0.00 -0.60 0.00 0.00 56.93 53.91 2oug s PHE 51 Cb 0.08 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.46 2oug s PHE 51 CO 0.66 -0.88 0.00 -2.30 0.70 0.00 0.00 175.22 173.40 2oug n PRO 52 N 4.42 0.00 0.00 0.24 -0.02 -1.26 -2.63 135.00 135.76 2oug n PRO 52 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2oug n PRO 52 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 2oug n PRO 52 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2oug n ASN 53 N 0.00 0.01 -4.88 2.55 3.02 -1.26 -4.76 115.26 109.94 2oug n ASN 53 Ca 0.00 -0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 2oug n ASN 53 Cb 0.00 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2oug n ASN 53 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2oug s TYR 54 N -1.01 3.45 -0.19 3.10 1.51 -1.08 0.44 117.35 123.58 2oug s TYR 54 Ca 0.00 0.85 -0.04 0.00 -1.01 0.00 0.00 57.07 56.87 2oug s TYR 54 Cb 0.00 -2.27 0.09 0.00 -0.11 0.00 0.00 41.96 39.68 2oug s TYR 54 CO 0.00 0.12 0.29 -1.17 -1.11 0.00 0.00 175.55 173.68 2oug s LEU 55 N -3.39 -0.36 0.36 -1.29 0.20 0.75 -4.79 118.68 110.16 2oug s LEU 55 Ca 0.48 0.27 -0.26 0.00 0.69 0.00 0.00 54.13 55.31 2oug s LEU 55 Cb -0.11 0.77 -0.09 0.00 -0.43 0.00 0.00 46.19 46.33 2oug s LEU 55 CO 0.27 -0.28 1.09 -0.36 -0.29 0.00 0.00 176.35 176.78 2oug s PHE 56 N 2.44 3.34 -0.02 5.38 0.40 -0.99 -0.38 117.98 128.14 2oug s PHE 56 Ca 0.06 1.65 0.01 0.00 -0.60 0.00 0.00 56.93 58.05 2oug s PHE 56 Cb -0.14 -3.24 0.01 0.00 0.51 0.00 0.00 43.02 40.16 2oug s PHE 56 CO -0.12 -0.74 -0.04 0.14 0.70 0.00 0.00 175.22 175.17 2oug s VAL 57 N -1.43 0.42 -0.27 -0.44 -7.23 0.29 -2.14 120.40 109.61 2oug s VAL 57 Ca 0.53 -0.13 -0.02 0.00 -1.81 0.00 0.00 61.98 60.55 2oug s VAL 57 Cb -0.27 -0.42 0.03 0.00 0.56 0.00 0.00 36.38 36.27 2oug s VAL 57 CO 0.35 0.17 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.57 2oug s GLU 58 N 0.50 2.73 0.30 4.82 2.12 -0.53 0.41 118.70 129.04 2oug s GLU 58 Ca -0.06 -1.06 -0.15 0.00 0.36 0.00 0.00 54.97 54.06 2oug s GLU 58 Cb -0.09 -3.07 0.02 0.00 0.26 0.00 0.00 34.13 31.24 2oug s GLU 58 CO -0.00 -0.47 0.63 -0.59 -0.54 0.00 0.00 175.26 174.28 2oug s PHE 59 N 1.31 0.20 -0.32 5.30 -0.71 -1.02 -2.49 117.98 120.26 2oug s PHE 59 Ca -0.01 -0.64 -0.09 0.00 -1.04 0.00 0.00 56.93 55.14 2oug s PHE 59 Cb -0.18 0.47 0.01 0.00 -1.21 0.00 0.00 43.02 42.11 2oug s PHE 59 CO -0.03 -1.21 0.14 0.34 -1.34 0.00 0.00 175.22 173.12 2oug s ASP 60 N -3.02 5.44 0.35 1.98 2.15 -1.26 -1.77 116.67 120.54 2oug s ASP 60 Ca 0.18 -0.70 0.16 0.00 0.43 0.00 0.00 52.55 52.62 2oug s ASP 60 Cb -0.03 -1.96 1.18 0.00 -0.30 0.00 0.00 42.92 41.81 2oug s ASP 60 CO 0.10 -0.24 1.53 -2.65 -0.17 0.00 0.00 175.17 173.74 2oug n PRO 61 N 4.94 -0.06 -0.05 4.34 -0.02 -1.25 0.84 135.00 143.74 2oug n PRO 61 Ca -0.14 1.36 -0.11 0.00 -2.02 0.00 0.00 63.50 62.59 2oug n PRO 61 Cb 0.48 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 2oug n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2oug h GLU 62 N 0.00 0.75 0.08 -0.52 4.39 -2.00 -3.17 114.58 114.11 2oug h GLU 62 Ca 0.77 -0.43 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 2oug h GLU 62 Cb 1.96 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 2oug h GLU 62 CO -0.78 1.06 -0.04 0.28 -1.16 0.00 0.00 179.01 178.37 2oug h VAL 63 N 0.60 0.82 -3.29 3.13 2.07 0.03 -3.43 116.25 116.18 2oug h VAL 63 Ca 0.03 -1.40 -0.58 0.00 0.82 0.00 0.00 66.70 65.56 2oug h VAL 63 Cb 1.04 1.49 -0.37 0.00 -1.52 0.00 0.00 31.29 31.93 2oug h VAL 63 CO 0.10 0.25 -0.81 -0.63 0.02 0.00 0.00 177.57 176.50 2oug s ILE 64 N -2.54 1.39 0.30 4.57 1.01 -0.08 -5.04 121.20 120.82 2oug s ILE 64 Ca -0.10 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 59.92 2oug s ILE 64 Cb -0.01 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2oug s ILE 64 CO 0.38 0.26 0.13 -1.38 0.00 0.00 0.00 174.94 174.33 2oug s HIS 65 N 1.53 2.80 0.00 3.97 -3.43 -1.20 -3.90 115.29 115.06 2oug s HIS 65 Ca 0.02 -0.28 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 2oug s HIS 65 Cb -0.15 -1.50 0.00 0.00 -1.43 0.00 0.00 32.58 29.51 2oug s HIS 65 CO -0.09 0.43 0.00 2.41 -2.00 0.00 0.00 174.74 175.49 2oug n THR 66 N -1.11 0.00 -0.10 -5.38 -1.04 -1.26 -0.37 114.28 105.01 2oug n THR 66 Ca -0.05 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.94 2oug n THR 66 Cb 0.60 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.09 2oug n THR 66 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2oug n THR 67 N -0.86 -0.16 -0.13 12.58 -1.04 -1.26 -0.94 114.28 122.47 2oug n THR 67 Ca 0.00 0.83 -0.11 0.00 -2.04 0.00 0.00 64.05 62.73 2oug n THR 67 Cb 0.00 -1.05 -0.02 0.00 -1.82 0.00 0.00 70.33 67.44 2oug n THR 67 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2oug h THR 68 N 0.00 1.27 -0.45 12.58 2.02 -1.09 -3.01 112.91 124.23 2oug h THR 68 Ca 0.04 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.19 2oug h THR 68 Cb 0.09 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2oug h THR 68 CO -0.22 0.36 0.30 0.40 0.37 0.00 0.00 175.52 176.74 2oug h ILE 69 N 0.54 0.96 -0.13 3.11 1.08 -1.08 -1.35 117.51 120.63 2oug h ILE 69 Ca 0.11 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2oug h ILE 69 Cb 0.54 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2oug h ILE 69 CO 0.03 0.06 0.06 -1.13 -0.69 0.00 0.00 178.15 176.48 2oug h ASN 70 N 0.36 0.17 -0.46 1.72 -0.73 -1.20 -2.51 115.58 112.92 2oug h ASN 70 Ca 0.20 -0.14 0.13 0.00 1.87 0.00 0.00 56.30 58.36 2oug h ASN 70 Cb 0.33 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 2oug h ASN 70 CO -0.05 0.26 0.52 0.00 -0.37 0.00 0.00 177.43 177.79 2oug h ALA 71 N 0.92 2.18 -1.77 1.57 0.00 -1.18 -3.40 119.26 117.58 2oug h ALA 71 Ca 0.04 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.26 2oug h ALA 71 Cb 0.14 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2oug h ALA 71 CO -0.00 -0.75 0.94 2.41 0.00 0.00 0.00 179.25 181.85 2oug n THR 72 N -3.64 0.38 -1.62 0.00 -1.04 -0.95 -4.76 114.28 102.65 2oug n THR 72 Ca 0.09 -0.07 -0.45 0.00 -2.04 0.00 0.00 64.05 61.58 2oug n THR 72 Cb 0.70 -1.46 -0.04 0.00 -1.82 0.00 0.00 70.33 67.72 2oug n THR 72 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2oug n ARG 73 N 5.59 2.17 0.00 -2.82 1.74 -1.26 -1.29 116.66 120.79 2oug n ARG 73 Ca 0.24 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 2oug n ARG 73 Cb 0.20 -2.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.73 2oug n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oug n GLY 74 N 5.14 1.58 3.63 -0.13 0.00 -1.26 -3.82 105.19 110.33 2oug n GLY 74 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 2oug n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oug s VAL 75 N -2.08 5.05 -0.08 1.61 1.01 -0.41 -0.38 120.40 125.12 2oug s VAL 75 Ca 0.00 0.99 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 2oug s VAL 75 Cb 0.00 -3.87 -0.27 0.00 0.00 0.00 0.00 36.38 32.23 2oug s VAL 75 CO 0.00 0.09 0.51 0.77 0.00 0.00 0.00 175.10 176.47 2oug h SER 76 N 7.84 0.44 -5.55 3.32 4.64 -1.60 -3.46 113.55 119.18 2oug h SER 76 Ca -0.29 -0.85 0.26 0.00 -0.47 0.00 0.00 61.79 60.44 2oug h SER 76 Cb 1.14 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 62.98 2oug h SER 76 CO 0.74 1.74 0.68 -1.38 -0.87 0.00 0.00 176.83 177.75 2oug s HIS 77 N -2.57 -0.08 -0.01 4.77 -3.43 -1.19 -5.02 115.29 107.75 2oug s HIS 77 Ca -0.18 -0.10 -0.04 0.00 -0.80 0.00 0.00 55.06 53.93 2oug s HIS 77 Cb 0.06 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.76 2oug s HIS 77 CO 0.80 -0.51 0.21 -0.06 -2.00 0.00 0.00 174.74 173.19 2oug s PHE 78 N -2.79 3.56 0.56 0.38 0.40 -1.26 -1.22 117.98 117.62 2oug s PHE 78 Ca 0.13 0.45 -0.17 0.00 -0.60 0.00 0.00 56.93 56.74 2oug s PHE 78 Cb 0.02 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 2oug s PHE 78 CO -0.01 0.64 1.05 0.08 0.70 0.00 0.00 175.22 177.68 2oug s VAL 79 N -1.29 3.80 -0.02 -0.44 1.01 -0.65 -4.90 120.40 117.91 2oug s VAL 79 Ca 0.26 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.18 2oug s VAL 79 Cb -0.13 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2oug s VAL 79 CO 0.16 -0.43 -0.05 -0.13 0.00 0.00 0.00 175.10 174.65 2oug s ARG 80 N -3.84 0.56 0.00 2.72 0.52 -1.26 -0.58 118.95 117.08 2oug s ARG 80 Ca 0.65 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 2oug s ARG 80 Cb -0.16 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.73 2oug s ARG 80 CO 0.32 0.04 0.00 0.34 0.02 0.00 0.00 175.30 176.02 2oug n PHE 81 N 3.38 0.00 -1.63 -0.53 7.35 -1.23 -4.64 117.46 120.15 2oug n PHE 81 Ca -0.18 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.08 2oug n PHE 81 Cb 0.55 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.35 2oug n PHE 81 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2oug s GLY 82 N -0.66 0.93 0.25 7.13 0.00 -1.26 -4.78 107.32 108.93 2oug s GLY 82 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 44.72 45.67 2oug s GLY 82 CO 0.00 3.66 1.39 0.00 0.00 0.00 0.00 173.10 178.15 2oug n ALA 83 N 9.85 0.21 0.16 3.20 0.00 -1.26 -0.30 120.51 132.37 2oug n ALA 83 Ca 0.25 0.98 -0.10 0.00 0.00 0.00 0.00 53.44 54.58 2oug n ALA 83 Cb 0.43 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 2oug n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2oug h SER 84 N 0.00 -0.74 -2.88 0.00 0.87 -1.96 -3.44 113.55 105.40 2oug h SER 84 Ca 0.43 0.06 -0.59 0.00 -1.23 0.00 0.00 61.79 60.46 2oug h SER 84 Cb 0.65 0.24 0.15 0.00 -0.44 0.00 0.00 62.40 63.00 2oug h SER 84 CO -0.92 -0.36 -0.18 -2.65 -0.53 0.00 0.00 176.83 172.20 2oug n PRO 85 N -3.98 0.80 -3.02 2.24 -0.02 0.59 -4.97 135.00 126.63 2oug n PRO 85 Ca -0.06 0.30 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 2oug n PRO 85 Cb 0.25 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 2oug n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oug s ALA 86 N -1.50 3.32 0.33 3.55 0.00 -1.26 -3.47 121.76 122.73 2oug s ALA 86 Ca 0.67 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 2oug s ALA 86 Cb -0.52 -2.91 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 2oug s ALA 86 CO 0.55 0.28 0.78 0.42 0.00 0.00 0.00 175.76 177.79 2oug s ILE 87 N -1.70 4.59 -0.47 0.00 1.01 0.25 -4.66 121.20 120.23 2oug s ILE 87 Ca 0.48 1.13 -0.13 0.00 0.00 0.00 0.00 60.65 62.13 2oug s ILE 87 Cb -0.15 -3.65 0.09 0.00 0.01 0.00 0.00 42.46 38.76 2oug s ILE 87 CO 0.20 -0.15 0.37 -0.69 0.00 0.00 0.00 174.94 174.67 2oug s VAL 88 N -1.95 4.74 0.46 2.92 1.01 -1.26 -4.18 120.40 122.14 2oug s VAL 88 Ca 0.54 -1.39 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 2oug s VAL 88 Cb -0.11 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 2oug s VAL 88 CO 0.17 -0.65 1.24 -2.84 0.00 0.00 0.00 175.10 173.02 2oug s PRO 89 N 1.52 3.71 0.52 2.72 0.02 -1.02 -4.91 135.00 137.56 2oug s PRO 89 Ca 0.04 1.97 -0.23 0.00 0.02 0.00 0.00 61.00 62.80 2oug s PRO 89 Cb -0.25 -2.49 -0.06 0.00 0.02 0.00 0.00 34.50 31.72 2oug s PRO 89 CO 0.03 -0.64 1.38 -1.54 -0.33 0.00 0.00 177.00 175.90 2oug s SER 90 N -1.10 5.45 0.44 2.53 1.04 -1.26 -4.48 113.70 116.32 2oug s SER 90 Ca 0.63 2.81 0.23 0.00 0.48 0.00 0.00 55.95 60.10 2oug s SER 90 Cb -0.34 -2.64 1.22 0.00 0.10 0.00 0.00 66.02 64.36 2oug s SER 90 CO 0.41 -1.45 1.79 0.00 0.98 0.00 0.00 173.24 174.96 2oug h ALA 91 N 1.72 2.45 -0.01 5.32 0.00 -2.00 -0.05 119.26 126.68 2oug h ALA 91 Ca -0.51 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 2oug h ALA 91 Cb 1.29 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2oug h ALA 91 CO 0.58 -0.83 -0.80 0.28 0.00 0.00 0.00 179.25 178.48 2oug h VAL 92 N 0.29 1.51 -0.74 0.00 2.07 -2.00 -2.77 116.25 114.61 2oug h VAL 92 Ca 0.58 -2.56 0.01 0.00 0.82 0.00 0.00 66.70 65.55 2oug h VAL 92 Cb 1.67 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 33.80 2oug h VAL 92 CO -0.22 0.74 0.49 0.40 0.02 0.00 0.00 177.57 179.00 2oug h ILE 93 N 0.07 1.18 -0.34 4.57 2.04 -1.34 -2.74 117.51 120.93 2oug h ILE 93 Ca -0.02 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 2oug h ILE 93 Cb 1.40 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2oug h ILE 93 CO 0.12 0.18 -0.13 0.45 0.00 0.00 0.00 178.15 178.76 2oug h HIS 94 N 0.98 0.79 -0.04 1.37 3.86 -1.43 -3.26 115.15 117.42 2oug h HIS 94 Ca 0.28 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2oug h HIS 94 Cb -0.09 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.14 2oug h HIS 94 CO -0.00 0.88 -0.42 1.96 0.86 0.00 0.00 177.93 181.22 2oug h GLN 95 N 0.48 -0.53 -0.02 2.45 4.20 -1.20 -1.64 115.11 118.85 2oug h GLN 95 Ca 0.08 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.83 2oug h GLN 95 Cb 0.65 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 2oug h GLN 95 CO 0.04 -0.35 0.20 -0.07 -0.67 0.00 0.00 178.83 177.98 2oug h LEU 96 N -0.55 0.00 -0.36 1.46 3.38 -1.58 -2.16 115.31 115.51 2oug h LEU 96 Ca 0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2oug h LEU 96 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2oug h LEU 96 CO -0.34 0.00 -0.65 0.28 0.09 0.00 0.00 178.44 177.82 2oug h SER 97 N 0.00 0.74 0.00 -0.43 0.02 -1.34 -3.39 113.55 109.15 2oug h SER 97 Ca 0.01 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2oug h SER 97 Cb 0.40 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2oug h SER 97 CO -0.00 1.20 0.00 1.33 -1.14 0.00 0.00 176.83 178.22 2oug n VAL 98 N -3.93 0.00 0.01 2.27 0.24 -0.81 -4.77 118.33 111.34 2oug n VAL 98 Ca -0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 2oug n VAL 98 Cb 0.67 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.61 2oug n VAL 98 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 2oug h TYR 99 N 0.00 -0.07 0.00 6.34 -0.00 -1.83 -3.53 116.97 117.88 2oug h TYR 99 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 2oug h TYR 99 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 36.73 36.77 2oug h TYR 99 CO 0.00 -0.05 0.00 1.63 -0.00 0.00 0.00 178.16 179.74 2oug n LYS 100 N -5.15 0.00 -0.09 0.10 5.02 -1.26 -5.14 118.16 111.64 2oug n LYS 100 Ca -0.05 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.13 2oug n LYS 100 Cb 0.08 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.05 2oug n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2oug n LYS 115 N 0.00 0.52 0.18 1.97 5.02 -1.26 -5.09 118.16 119.49 2oug n LYS 115 Ca 0.00 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 56.75 2oug n LYS 115 Cb 0.00 -1.53 0.59 0.00 -0.02 0.00 0.00 35.03 34.07 2oug n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2oug h VAL 116 N -1.00 0.00 0.00 -0.18 2.07 -2.04 -0.70 116.25 114.41 2oug h VAL 116 Ca -0.12 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2oug h VAL 116 Cb 0.97 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2oug h VAL 116 CO -0.07 0.00 -1.14 -0.38 0.02 0.00 0.00 177.57 176.00 2oug n ILE 117 N -2.45 0.06 0.12 4.57 5.41 -1.26 -3.94 119.36 121.86 2oug n ILE 117 Ca 0.01 -0.08 -0.23 0.00 1.00 0.00 0.00 62.75 63.46 2oug n ILE 117 Cb 0.20 -0.08 -0.14 0.00 -0.71 0.00 0.00 39.64 38.91 2oug n ILE 117 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2oug h ILE 118 N 0.00 1.31 -0.02 1.39 2.04 -1.96 -1.73 117.51 118.54 2oug h ILE 118 Ca -0.02 -2.63 -0.02 0.00 1.00 0.00 0.00 64.86 63.19 2oug h ILE 118 Cb 0.51 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 2oug h ILE 118 CO 0.00 0.79 -0.05 0.74 0.00 0.00 0.00 178.15 179.63 2oug h THR 119 N 0.20 1.45 0.00 -0.27 2.02 -1.38 -1.72 112.91 113.21 2oug h THR 119 Ca -0.21 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.56 2oug h THR 119 Cb 2.03 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 70.79 2oug h THR 119 CO 0.25 0.38 0.00 -0.33 0.37 0.00 0.00 175.52 176.19 2oug h GLU 120 N -0.49 0.00 0.00 6.66 5.08 -1.68 0.29 114.58 124.45 2oug h GLU 120 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2oug h GLU 120 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2oug h GLU 120 CO 0.01 0.00 -0.85 0.78 -1.00 0.00 0.00 179.01 177.95 2oug h GLY 121 N 1.71 0.00 0.91 -3.84 0.00 -1.26 -3.31 103.07 97.28 2oug h GLY 121 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2oug h GLY 121 CO 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.20 2oug h ALA 122 N -0.35 -0.95 -2.71 3.60 0.00 -1.19 -1.41 119.26 116.25 2oug h ALA 122 Ca -0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2oug h ALA 122 Cb 1.19 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2oug h ALA 122 CO -0.14 -0.98 0.00 0.34 0.00 0.00 0.00 179.25 178.47 2oug n PHE 123 N -5.46 0.00 -0.25 0.00 7.35 0.10 -0.76 117.46 118.44 2oug n PHE 123 Ca -0.13 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 56.79 2oug n PHE 123 Cb 0.39 0.00 0.58 0.00 0.35 0.00 0.00 39.48 40.80 2oug n PHE 123 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2oug h GLU 124 N 0.00 0.27 0.24 -4.13 5.08 -1.71 -1.60 114.58 112.73 2oug h GLU 124 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2oug h GLU 124 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2oug h GLU 124 CO 0.00 0.18 -0.16 0.78 -1.00 0.00 0.00 179.01 178.81 2oug h GLY 125 N 0.28 -0.41 2.00 -3.84 0.00 -0.55 -2.56 103.07 97.99 2oug h GLY 125 Ca 0.49 0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.91 2oug h GLY 125 CO -0.15 -0.17 -0.47 0.74 0.00 0.00 0.00 176.54 176.49 2oug h PHE 126 N -0.40 0.00 -0.83 5.60 -1.00 0.04 -1.95 116.94 118.39 2oug h PHE 126 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 2oug h PHE 126 Cb 0.34 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.86 2oug h PHE 126 CO -0.10 0.47 0.49 1.96 -1.61 0.00 0.00 178.31 179.52 2oug h GLN 127 N 0.00 1.14 -0.34 1.51 4.20 -1.27 0.53 115.11 120.87 2oug h GLN 127 Ca -0.00 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 2oug h GLN 127 Cb 0.97 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 2oug h GLN 127 CO 0.06 0.81 -0.33 0.00 -0.67 0.00 0.00 178.83 178.69 2oug h ALA 128 N 1.38 0.50 -0.40 3.87 0.00 -1.11 -2.54 119.26 120.96 2oug h ALA 128 Ca 0.30 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2oug h ALA 128 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2oug h ALA 128 CO -0.05 0.56 -0.02 0.82 0.00 0.00 0.00 179.25 180.56 2oug h ILE 129 N 0.62 1.23 0.00 0.00 2.04 -0.75 -1.75 117.51 118.90 2oug h ILE 129 Ca 0.06 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2oug h ILE 129 Cb 0.92 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2oug h ILE 129 CO 0.08 0.32 0.00 0.49 0.00 0.00 0.00 178.15 179.05 2oug n PHE 130 N -4.23 0.00 0.30 1.37 0.99 0.12 -2.88 117.46 113.13 2oug n PHE 130 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.50 2oug n PHE 130 Cb 0.29 -0.16 -0.02 0.00 -1.00 0.00 0.00 39.48 38.59 2oug n PHE 130 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2oug n THR 131 N -1.16 0.00 -2.78 4.37 -1.04 -0.72 -4.96 114.28 107.99 2oug n THR 131 Ca 0.17 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.05 61.38 2oug n THR 131 Cb 0.17 1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 69.67 2oug n THR 131 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2oug s GLU 132 N -1.40 3.83 0.17 -2.82 -6.30 -0.82 -4.96 118.70 106.41 2oug s GLU 132 Ca 0.04 0.59 -0.24 0.00 -2.50 0.00 0.00 54.97 52.86 2oug s GLU 132 Cb 0.05 -3.81 0.07 0.00 0.00 0.00 0.00 34.13 30.43 2oug s GLU 132 CO 0.23 -0.99 1.57 -1.35 0.02 0.00 0.00 175.26 174.74 2oug h PRO 133 N 8.53 -0.20 -6.07 4.30 0.11 -1.92 -3.41 132.00 133.34 2oug h PRO 133 Ca -0.23 0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.24 2oug h PRO 133 Cb 1.08 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 2oug h PRO 133 CO 1.00 -0.13 -0.59 0.16 -0.21 0.00 0.00 178.00 178.23 2oug s ASP 134 N -5.16 5.58 0.14 -2.05 1.47 -1.26 -5.02 116.67 110.37 2oug s ASP 134 Ca -0.14 0.09 -0.13 0.00 1.18 0.00 0.00 52.55 53.54 2oug s ASP 134 Cb 0.14 -1.56 0.01 0.00 -0.34 0.00 0.00 42.92 41.17 2oug s ASP 134 CO 0.67 0.24 1.59 1.23 0.68 0.00 0.00 175.17 179.59 2oug h GLY 135 N 3.87 0.90 -0.20 2.12 0.00 -1.81 -3.06 103.07 104.89 2oug h GLY 135 Ca -0.48 -0.67 0.27 0.00 0.00 0.00 0.00 47.33 46.45 2oug h GLY 135 CO 0.63 0.61 0.66 0.83 0.00 0.00 0.00 176.54 179.27 2oug h GLU 136 N 0.69 0.41 -0.24 4.80 3.07 -1.93 1.46 114.58 122.84 2oug h GLU 136 Ca 0.13 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.82 2oug h GLU 136 Cb 0.51 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2oug h GLU 136 CO 0.03 0.27 -0.47 0.00 -1.40 0.00 0.00 179.01 177.44 2oug h ALA 137 N 1.65 0.73 -0.45 3.43 0.00 -1.94 -3.11 119.26 119.57 2oug h ALA 137 Ca 0.62 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2oug h ALA 137 Cb 1.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2oug h ALA 137 CO -0.36 0.67 0.10 0.00 0.00 0.00 0.00 179.25 179.66 2oug h ARG 138 N 0.50 0.73 -0.44 0.00 3.08 0.18 -2.32 114.38 116.11 2oug h ARG 138 Ca 0.03 -0.18 0.09 0.00 0.07 0.00 0.00 59.98 59.98 2oug h ARG 138 Cb 1.01 -0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.87 2oug h ARG 138 CO 0.09 0.73 -0.33 0.77 -1.07 0.00 0.00 179.97 180.17 2oug h SER 139 N 0.61 -1.10 0.07 7.04 0.02 -0.23 0.73 113.55 120.69 2oug h SER 139 Ca 0.14 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.32 2oug h SER 139 Cb 0.34 0.52 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 2oug h SER 139 CO 0.00 -0.32 -0.34 0.24 -1.14 0.00 0.00 176.83 175.28 2oug h MET 140 N -0.23 -0.51 -0.53 3.45 2.86 -1.45 0.16 114.93 118.68 2oug h MET 140 Ca 0.19 0.03 0.12 0.00 -2.06 0.00 0.00 59.70 57.98 2oug h MET 140 Cb 0.54 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 2oug h MET 140 CO -0.57 -0.34 0.37 -0.07 1.06 0.00 0.00 176.91 177.35 2oug h LEU 141 N -0.53 0.15 -0.02 1.22 3.38 -0.63 0.23 115.31 119.11 2oug h LEU 141 Ca 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2oug h LEU 141 Cb 0.59 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2oug h LEU 141 CO -0.23 0.08 -0.15 0.25 0.09 0.00 0.00 178.44 178.48 2oug h LEU 142 N 0.16 0.17 0.21 1.67 6.46 0.16 -1.81 115.31 122.34 2oug h LEU 142 Ca 0.25 -0.69 0.01 0.00 -0.12 0.00 0.00 57.88 57.33 2oug h LEU 142 Cb 0.77 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 2oug h LEU 142 CO -0.04 0.84 -0.23 -0.07 -0.62 0.00 0.00 178.44 178.32 2oug h LEU 143 N -0.47 -0.63 -0.71 2.25 3.38 0.18 0.35 115.31 119.66 2oug h LEU 143 Ca -0.01 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2oug h LEU 143 Cb 0.84 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 2oug h LEU 143 CO 0.03 -0.34 0.33 0.78 0.09 0.00 0.00 178.44 179.34 2oug h ASN 144 N -0.49 0.41 -0.03 -0.43 2.35 -0.67 0.84 115.58 117.56 2oug h ASN 144 Ca 0.00 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2oug h ASN 144 Cb 0.46 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2oug h ASN 144 CO -0.07 0.22 -0.12 0.25 -1.65 0.00 0.00 177.43 176.07 2oug h LEU 145 N 0.56 0.30 -0.06 1.61 5.85 -0.64 -0.63 115.31 122.29 2oug h LEU 145 Ca 0.36 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.89 2oug h LEU 145 Cb 0.42 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.37 2oug h LEU 145 CO -0.30 0.45 -0.44 0.40 -0.34 0.00 0.00 178.44 178.22 2oug h ILE 146 N 0.30 1.41 -0.47 4.05 2.04 0.13 -0.79 117.51 124.19 2oug h ILE 146 Ca 0.06 -1.85 0.05 0.00 1.00 0.00 0.00 64.86 64.12 2oug h ILE 146 Cb 0.40 2.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 2oug h ILE 146 CO 0.02 0.54 0.22 -1.13 0.00 0.00 0.00 178.15 177.80 2oug h ASN 147 N -0.07 0.29 0.36 1.72 -0.00 -0.67 0.33 115.58 117.54 2oug h ASN 147 Ca -0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 2oug h ASN 147 Cb 1.10 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 39.40 2oug h ASN 147 CO 0.09 0.21 -0.33 0.11 -0.00 0.00 0.00 177.43 177.50 2oug h LYS 148 N 0.43 -0.66 -0.90 6.67 1.57 -1.08 -2.48 116.57 120.11 2oug h LYS 148 Ca 0.21 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.20 2oug h LYS 148 Cb 0.15 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 2oug h LYS 148 CO -0.17 -0.44 0.48 0.93 -0.57 0.00 0.00 179.45 179.68 2oug h GLU 149 N -0.69 0.63 -0.27 3.15 4.39 -0.75 -1.87 114.58 119.18 2oug h GLU 149 Ca -0.05 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2oug h GLU 149 Cb 0.59 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2oug h GLU 149 CO -0.03 0.42 0.15 0.82 -1.16 0.00 0.00 179.01 179.22 2oug h ILE 150 N 0.65 1.11 -0.71 3.13 2.04 -0.78 -1.47 117.51 121.48 2oug h ILE 150 Ca 0.50 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 66.19 2oug h ILE 150 Cb 0.75 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 2oug h ILE 150 CO -0.38 0.11 0.34 0.11 0.00 0.00 0.00 178.15 178.33 2oug h LYS 151 N 0.33 0.54 -0.77 2.37 1.57 -0.89 -0.63 116.57 119.09 2oug h LYS 151 Ca 0.10 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2oug h LYS 151 Cb 0.04 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2oug h LYS 151 CO -0.02 0.36 0.45 1.25 -0.57 0.00 0.00 179.45 180.92 2oug h HIS 152 N 0.56 1.04 -0.85 -1.35 2.76 -1.00 0.64 115.15 116.95 2oug h HIS 152 Ca 0.36 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.62 2oug h HIS 152 Cb 0.42 -0.34 -0.07 0.00 1.55 0.00 0.00 27.41 28.97 2oug h HIS 152 CO -0.12 0.71 0.49 1.03 -1.30 0.00 0.00 177.93 178.74 2oug h SER 153 N 1.06 0.71 0.12 3.26 0.87 -0.07 0.20 113.55 119.70 2oug h SER 153 Ca 0.28 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 2oug h SER 153 Cb -0.01 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2oug h SER 153 CO -0.05 0.40 -0.06 0.58 -0.53 0.00 0.00 176.83 177.18 2oug h VAL 154 N 0.82 0.00 -0.51 2.23 2.07 -0.80 -3.29 116.25 116.77 2oug h VAL 154 Ca 0.41 -0.36 0.15 0.00 0.82 0.00 0.00 66.70 67.72 2oug h VAL 154 Cb 0.37 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2oug h VAL 154 CO -0.25 0.00 0.37 0.11 0.02 0.00 0.00 177.57 177.82 2oug h LYS 155 N -0.52 0.00 0.00 1.57 1.57 -0.94 -3.52 116.57 114.74 2oug h LYS 155 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2oug h LYS 155 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2oug h LYS 155 CO 0.03 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.00