#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub7 n GLY 3 N 0.00 3.49 3.58 5.00 0.00 0.78 -0.27 105.19 117.77 1ub7 n GLY 3 Ca 0.00 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 1ub7 n GLY 3 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub7 s ILE 4 N -2.25 5.23 -0.22 -0.61 1.01 -1.26 -1.79 121.20 121.31 1ub7 s ILE 4 Ca 0.00 0.26 0.22 0.00 0.00 0.00 0.00 60.65 61.13 1ub7 s ILE 4 Cb 0.00 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 1ub7 s ILE 4 CO 0.00 0.12 0.94 0.18 0.00 0.00 0.00 174.94 176.18 1ub7 n LEU 5 N 5.23 0.68 -3.48 2.97 4.77 0.35 -4.66 117.00 122.86 1ub7 n LEU 5 Ca -0.11 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 1ub7 n LEU 5 Cb 0.51 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1ub7 n LEU 5 CO 0.36 -0.14 0.45 0.00 -1.33 0.00 0.00 177.39 176.73 1ub7 s ALA 6 N -3.38 -1.70 -0.09 -1.18 0.00 -1.23 -4.94 121.76 109.24 1ub7 s ALA 6 Ca -0.02 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 1ub7 s ALA 6 Cb 0.11 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1ub7 s ALA 6 CO 0.81 -0.56 0.31 -1.17 0.00 0.00 0.00 175.76 175.15 1ub7 s LEU 7 N -1.95 0.82 0.14 0.00 2.96 -1.26 -1.41 118.68 117.98 1ub7 s LEU 7 Ca -0.04 0.47 -0.19 0.00 -0.22 0.00 0.00 54.13 54.15 1ub7 s LEU 7 Cb -0.01 1.13 0.05 0.00 0.50 0.00 0.00 46.19 47.87 1ub7 s LEU 7 CO -0.02 -0.21 0.49 -0.83 -1.32 0.00 0.00 176.35 174.47 1ub7 s GLY 8 N -0.27 -0.41 0.22 7.98 0.00 -0.34 -4.35 107.32 110.14 1ub7 s GLY 8 Ca -0.04 0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.67 1ub7 s GLY 8 CO 0.01 -0.11 0.58 0.00 0.00 0.00 0.00 173.10 173.59 1ub7 s ALA 9 N -3.78 -0.97 -0.06 3.20 0.00 -1.25 -0.27 121.76 118.63 1ub7 s ALA 9 Ca 0.02 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 1ub7 s ALA 9 Cb 0.00 0.89 0.07 0.00 0.00 0.00 0.00 23.12 24.08 1ub7 s ALA 9 CO -0.12 -0.87 0.65 -0.47 0.00 0.00 0.00 175.76 174.95 1ub7 s TYR 10 N -3.90 -0.63 0.01 0.00 5.04 0.14 -4.73 117.35 113.29 1ub7 s TYR 10 Ca 0.11 1.09 0.02 0.00 -2.44 0.00 0.00 57.07 55.86 1ub7 s TYR 10 Cb -0.02 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.65 1ub7 s TYR 10 CO 0.01 -0.58 -0.07 0.14 -1.34 0.00 0.00 175.55 173.71 1ub7 s VAL 11 N -1.13 0.52 1.03 3.14 -7.23 -1.26 -0.52 120.40 114.95 1ub7 s VAL 11 Ca -0.11 -0.55 -0.14 0.00 -1.81 0.00 0.00 61.98 59.37 1ub7 s VAL 11 Cb -0.01 -0.49 0.11 0.00 0.56 0.00 0.00 36.38 36.55 1ub7 s VAL 11 CO 0.09 -0.04 0.47 -2.65 -0.31 0.00 0.00 175.10 172.66 1ub7 n PRO 12 N 2.41 -1.02 0.07 4.82 -0.02 -1.26 -4.94 135.00 135.05 1ub7 n PRO 12 Ca -0.16 -0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 60.84 1ub7 n PRO 12 Cb 0.57 -1.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.99 1ub7 n PRO 12 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ub7 h GLU 13 N -1.93 0.54 -6.36 -0.52 4.81 -1.98 -3.43 114.58 105.71 1ub7 h GLU 13 Ca -0.49 -0.73 -0.55 0.00 -0.13 0.00 0.00 59.36 57.47 1ub7 h GLU 13 Cb 1.31 0.24 0.02 0.00 0.63 0.00 0.00 28.75 30.95 1ub7 h GLU 13 CO 0.38 1.32 1.20 -2.13 -0.73 0.00 0.00 179.01 179.05 1ub7 n ARG 14 N -3.92 2.75 -3.79 1.92 0.63 -1.26 -4.92 116.66 108.07 1ub7 n ARG 14 Ca -0.13 1.01 -0.37 0.00 -0.92 0.00 0.00 57.85 57.44 1ub7 n ARG 14 Cb 0.91 -2.94 -0.06 0.00 0.45 0.00 0.00 32.46 30.82 1ub7 n ARG 14 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1ub7 s VAL 15 N 4.21 5.43 -0.21 5.15 1.01 -1.26 -1.27 120.40 133.45 1ub7 s VAL 15 Ca 0.89 0.30 0.01 0.00 0.00 0.00 0.00 61.98 63.18 1ub7 s VAL 15 Cb -0.48 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1ub7 s VAL 15 CO 0.43 0.57 -0.11 -0.04 0.00 0.00 0.00 175.10 175.96 1ub7 s MET 16 N -0.68 2.08 0.58 2.72 -1.94 -0.21 -4.96 119.30 116.88 1ub7 s MET 16 Ca 0.15 -0.91 -0.06 0.00 -1.71 0.00 0.00 55.69 53.16 1ub7 s MET 16 Cb -0.12 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 34.23 1ub7 s MET 16 CO 0.04 -0.44 0.89 0.95 -0.01 0.00 0.00 175.02 176.45 1ub7 s THR 17 N 1.36 3.87 0.46 2.05 -4.23 -1.26 -2.17 115.64 115.71 1ub7 s THR 17 Ca -0.02 0.07 0.22 0.00 -1.18 0.00 0.00 61.69 60.78 1ub7 s THR 17 Cb -0.17 -3.53 0.26 0.00 1.34 0.00 0.00 72.50 70.40 1ub7 s THR 17 CO -0.08 -0.55 2.07 0.78 -0.54 0.00 0.00 174.62 176.30 1ub7 h ASN 18 N -0.13 0.00 -0.19 3.99 2.35 -1.80 -2.12 115.58 117.68 1ub7 h ASN 18 Ca -0.46 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.31 1ub7 h ASN 18 Cb 1.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.60 1ub7 h ASN 18 CO 0.61 0.13 0.09 0.00 -1.65 0.00 0.00 177.43 176.60 1ub7 h ALA 19 N 1.87 0.22 -0.04 -0.83 0.00 -1.92 0.15 119.26 118.72 1ub7 h ALA 19 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ub7 h ALA 19 Cb 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ub7 h ALA 19 CO 0.02 -0.33 0.13 -0.44 0.00 0.00 0.00 179.25 178.62 1ub7 h ASP 20 N 0.20 0.00 0.25 0.00 3.32 -1.76 0.58 116.42 119.01 1ub7 h ASP 20 Ca 0.08 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.78 1ub7 h ASP 20 Cb 0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1ub7 h ASP 20 CO -0.06 0.00 -1.66 -0.26 -1.72 0.00 0.00 179.24 175.55 1ub7 h PHE 21 N 0.00 0.75 -0.33 4.55 0.04 -1.00 -3.31 116.94 117.63 1ub7 h PHE 21 Ca 0.02 -0.55 -0.02 0.00 2.80 0.00 0.00 57.97 60.22 1ub7 h PHE 21 Cb 0.27 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1ub7 h PHE 21 CO 0.00 1.61 0.13 0.93 -0.60 0.00 0.00 178.31 180.38 1ub7 h GLU 22 N 0.11 0.50 0.00 1.51 5.08 0.99 0.73 114.58 123.50 1ub7 h GLU 22 Ca -0.31 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1ub7 h GLU 22 Cb 2.11 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1ub7 h GLU 22 CO 0.20 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1ub7 n ALA 23 N -2.28 0.96 0.00 3.43 0.00 0.17 -3.19 120.51 119.61 1ub7 n ALA 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ub7 n ALA 23 Cb 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1ub7 n ALA 23 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ub7 n TYR 24 N -0.67 0.00 -4.56 0.00 0.18 -1.02 -5.06 117.16 106.03 1ub7 n TYR 24 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 1ub7 n TYR 24 Cb 0.00 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 1ub7 n TYR 24 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1ub7 s LEU 25 N -1.00 3.13 -0.77 -3.48 0.20 0.25 -5.03 118.68 111.99 1ub7 s LEU 25 Ca 0.00 -0.12 -0.26 0.00 0.69 0.00 0.00 54.13 54.44 1ub7 s LEU 25 Cb 0.00 -1.72 0.01 0.00 -0.43 0.00 0.00 46.19 44.05 1ub7 s LEU 25 CO 0.00 0.25 1.58 -0.62 -0.29 0.00 0.00 176.35 177.26 1ub7 s ASP 26 N -0.11 5.80 -0.30 3.68 2.15 -1.26 -3.73 116.67 122.90 1ub7 s ASP 26 Ca 0.01 -0.39 -0.15 0.00 0.43 0.00 0.00 52.55 52.45 1ub7 s ASP 26 Cb -0.13 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.11 1ub7 s ASP 26 CO 0.03 -2.07 1.09 0.28 -0.17 0.00 0.00 175.17 174.32 1ub7 s THR 27 N 7.23 -0.32 0.71 1.71 -1.32 -1.26 -5.06 115.64 117.33 1ub7 s THR 27 Ca 0.51 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.91 1ub7 s THR 27 Cb -0.08 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.96 1ub7 s THR 27 CO 0.11 0.00 1.04 -0.94 -2.21 0.00 0.00 174.62 172.62 1ub7 s SER 28 N 2.59 4.93 0.18 8.08 1.04 -1.26 -3.30 113.70 125.95 1ub7 s SER 28 Ca -0.01 0.64 -0.13 0.00 0.48 0.00 0.00 55.95 56.92 1ub7 s SER 28 Cb -0.07 -1.32 0.13 0.00 0.10 0.00 0.00 66.02 64.87 1ub7 s SER 28 CO -0.14 -1.56 1.79 -0.78 0.98 0.00 0.00 173.24 173.54 1ub7 h ASP 29 N -0.64 0.41 -0.26 7.02 3.58 -1.98 -2.11 116.42 122.45 1ub7 h ASP 29 Ca -0.45 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.08 1ub7 h ASP 29 Cb 1.30 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.24 1ub7 h ASP 29 CO 0.62 0.29 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.86 1ub7 h GLU 30 N 0.54 -0.01 -0.14 0.28 3.07 -1.98 0.31 114.58 116.65 1ub7 h GLU 30 Ca 0.22 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.11 1ub7 h GLU 30 Cb 0.11 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1ub7 h GLU 30 CO -0.14 -0.01 0.00 2.35 -1.40 0.00 0.00 179.01 179.81 1ub7 h TRP 31 N -0.01 -0.01 0.27 4.33 7.01 -1.84 -1.71 115.95 123.99 1ub7 h TRP 31 Ca 0.13 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1ub7 h TRP 31 Cb 0.21 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 1ub7 h TRP 31 CO -0.27 -0.02 -0.13 0.82 -2.79 0.00 0.00 178.44 176.06 1ub7 h ILE 32 N 0.05 0.76 -0.70 2.65 2.04 -0.93 -2.71 117.51 118.67 1ub7 h ILE 32 Ca 0.07 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1ub7 h ILE 32 Cb 0.08 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1ub7 h ILE 32 CO -0.11 0.03 0.38 0.58 0.00 0.00 0.00 178.15 179.03 1ub7 h VAL 33 N -0.43 0.93 -0.22 1.67 2.07 -0.27 -0.07 116.25 119.93 1ub7 h VAL 33 Ca -0.04 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 1ub7 h VAL 33 Cb 0.33 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1ub7 h VAL 33 CO 0.06 0.12 -0.45 0.71 0.02 0.00 0.00 177.57 178.04 1ub7 h THR 34 N 0.68 1.31 0.00 2.57 1.35 -1.29 0.25 112.91 117.78 1ub7 h THR 34 Ca 0.32 -1.64 -0.15 0.00 -0.55 0.00 0.00 66.41 64.40 1ub7 h THR 34 Cb 0.25 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 1ub7 h THR 34 CO -0.21 0.51 -0.90 0.03 -0.25 0.00 0.00 175.52 174.70 1ub7 h ARG 35 N 0.43 0.00 0.00 4.72 3.08 -1.17 -3.42 114.38 118.02 1ub7 h ARG 35 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ub7 h ARG 35 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1ub7 h ARG 35 CO 0.08 0.54 -0.67 0.25 -1.07 0.00 0.00 179.97 179.11 1ub7 n THR 36 N -3.15 0.00 -0.31 2.04 -2.24 -0.07 -4.76 114.28 105.78 1ub7 n THR 36 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ub7 n THR 36 Cb 0.82 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1ub7 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ub7 n GLY 37 N 2.29 0.77 3.75 3.38 0.00 0.87 -1.04 105.19 115.22 1ub7 n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ub7 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub7 s ILE 38 N -2.69 4.59 -0.06 -0.61 1.01 -1.26 -4.21 121.20 117.97 1ub7 s ILE 38 Ca 0.00 1.72 0.03 0.00 0.00 0.00 0.00 60.65 62.40 1ub7 s ILE 38 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1ub7 s ILE 38 CO 0.00 0.40 -0.01 0.29 0.00 0.00 0.00 174.94 175.62 1ub7 n LYS 39 N 2.44 1.88 -3.94 2.79 5.02 -0.71 -4.03 118.16 121.60 1ub7 n LYS 39 Ca -0.03 0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.20 1ub7 n LYS 39 Cb 0.50 -1.13 -0.08 0.00 -0.02 0.00 0.00 35.03 34.29 1ub7 n LYS 39 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ub7 s GLU 40 N -2.13 0.77 0.14 1.97 2.02 -0.89 -2.23 118.70 118.35 1ub7 s GLU 40 Ca -0.05 -1.06 -0.16 0.00 0.02 0.00 0.00 54.97 53.72 1ub7 s GLU 40 Cb 0.02 0.30 0.03 0.00 0.10 0.00 0.00 34.13 34.58 1ub7 s GLU 40 CO 0.18 -0.22 0.43 -0.98 0.02 0.00 0.00 175.26 174.69 1ub7 s ARG 41 N -3.89 1.13 -0.00 1.61 3.03 -0.92 -2.91 118.95 117.00 1ub7 s ARG 41 Ca 0.06 -0.74 -0.00 0.00 2.03 0.00 0.00 55.73 57.08 1ub7 s ARG 41 Cb 0.06 0.48 -0.04 0.00 -1.03 0.00 0.00 34.95 34.42 1ub7 s ARG 41 CO -0.10 -0.45 0.07 1.03 -1.13 0.00 0.00 175.30 174.71 1ub7 s ARG 42 N -3.82 3.02 -0.08 3.89 1.81 -1.26 -1.04 118.95 121.47 1ub7 s ARG 42 Ca 0.04 -0.51 0.04 0.00 -1.72 0.00 0.00 55.73 53.58 1ub7 s ARG 42 Cb 0.01 -2.83 0.00 0.00 -0.45 0.00 0.00 34.95 31.69 1ub7 s ARG 42 CO -0.10 0.64 -0.19 0.08 -0.68 0.00 0.00 175.30 175.05 1ub7 s VAL 43 N -1.18 1.68 0.42 3.52 1.01 -0.40 -1.66 120.40 123.79 1ub7 s VAL 43 Ca 0.22 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 1ub7 s VAL 43 Cb -0.12 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 1ub7 s VAL 43 CO 0.14 0.48 1.39 0.00 0.00 0.00 0.00 175.10 177.10 1ub7 s ALA 44 N 0.38 3.29 0.94 5.51 0.00 -1.26 -3.99 121.76 126.63 1ub7 s ALA 44 Ca -0.15 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 1ub7 s ALA 44 Cb -0.16 -3.55 0.16 0.00 0.00 0.00 0.00 23.12 19.56 1ub7 s ALA 44 CO 0.06 -1.03 1.12 0.00 0.00 0.00 0.00 175.76 175.91 1ub7 s ALA 45 N -1.21 1.24 0.30 0.00 0.00 -1.26 -4.85 121.76 115.97 1ub7 s ALA 45 Ca 0.58 0.42 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1ub7 s ALA 45 Cb -0.42 -3.39 0.76 0.00 0.00 0.00 0.00 23.12 20.07 1ub7 s ALA 45 CO 0.54 -2.82 1.72 1.49 0.00 0.00 0.00 175.76 176.69 1ub7 h GLU 46 N -1.91 0.49 -0.88 0.00 4.81 -2.06 -1.18 114.58 113.86 1ub7 h GLU 46 Ca -0.46 -0.03 -0.57 0.00 -0.13 0.00 0.00 59.36 58.16 1ub7 h GLU 46 Cb 1.28 -0.11 -0.30 0.00 0.63 0.00 0.00 28.75 30.24 1ub7 h GLU 46 CO 0.44 0.32 0.39 -3.47 -0.73 0.00 0.00 179.01 175.97 1ub7 n ASP 47 N -4.96 5.94 -4.01 1.04 2.03 -1.26 -4.92 116.55 110.42 1ub7 n ASP 47 Ca 0.23 -3.76 -0.28 0.00 0.52 0.00 0.00 54.79 51.50 1ub7 n ASP 47 Cb 0.66 -0.79 -0.17 0.00 -0.72 0.00 0.00 41.12 40.10 1ub7 n ASP 47 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1ub7 s GLU 48 N -3.64 2.03 0.16 -0.67 2.12 -0.45 -5.07 118.70 113.19 1ub7 s GLU 48 Ca 0.59 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1ub7 s GLU 48 Cb 0.47 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 33.03 1ub7 s GLU 48 CO 0.02 -0.15 0.01 0.66 -0.54 0.00 0.00 175.26 175.26 1ub7 n TYR 49 N 4.51 0.22 -0.35 5.30 4.02 -1.26 -4.56 117.16 125.03 1ub7 n TYR 49 Ca -0.17 -0.79 0.05 0.00 -0.01 0.00 0.00 57.90 56.98 1ub7 n TYR 49 Cb 0.51 -0.11 0.22 0.00 -0.02 0.00 0.00 39.34 39.94 1ub7 n TYR 49 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1ub7 h THR 50 N 1.03 1.00 -0.67 -0.72 2.02 -1.92 -0.99 112.91 112.66 1ub7 h THR 50 Ca -0.13 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.70 1ub7 h THR 50 Cb 0.41 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 1ub7 h THR 50 CO 0.22 0.19 0.43 0.77 0.37 0.00 0.00 175.52 177.50 1ub7 h SER 51 N 1.06 0.73 -0.59 4.18 4.64 -1.95 -0.85 113.55 120.77 1ub7 h SER 51 Ca 0.45 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.70 1ub7 h SER 51 Cb 0.33 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1ub7 h SER 51 CO -0.21 0.52 0.12 0.44 -0.87 0.00 0.00 176.83 176.83 1ub7 h ASP 52 N 0.87 0.92 -0.99 4.97 3.32 -1.61 0.78 116.42 124.67 1ub7 h ASP 52 Ca 0.26 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1ub7 h ASP 52 Cb -0.04 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.21 1ub7 h ASP 52 CO -0.08 0.92 0.65 -0.07 -1.72 0.00 0.00 179.24 178.95 1ub7 h LEU 53 N 0.87 1.12 -0.01 1.55 3.38 -0.73 -0.43 115.31 121.06 1ub7 h LEU 53 Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ub7 h LEU 53 Cb 0.38 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ub7 h LEU 53 CO 0.01 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.34 1ub7 h ALA 54 N 1.39 0.02 -0.26 1.53 0.00 -0.62 -1.49 119.26 119.84 1ub7 h ALA 54 Ca 0.37 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1ub7 h ALA 54 Cb -0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1ub7 h ALA 54 CO -0.09 -0.33 -0.10 0.74 0.00 0.00 0.00 179.25 179.47 1ub7 h PHE 55 N -0.27 -0.23 0.00 0.00 0.04 -0.48 -1.27 116.94 114.73 1ub7 h PHE 55 Ca 0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1ub7 h PHE 55 Cb 0.30 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1ub7 h PHE 55 CO 0.03 -0.16 -0.17 0.87 -0.60 0.00 0.00 178.31 178.27 1ub7 h LYS 56 N -0.06 0.00 0.00 1.51 1.57 -1.04 0.32 116.57 118.88 1ub7 h LYS 56 Ca 0.13 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.73 1ub7 h LYS 56 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1ub7 h LYS 56 CO -0.30 0.17 -0.84 0.00 -0.57 0.00 0.00 179.45 177.91 1ub7 h ALA 57 N 1.83 0.59 -0.14 3.86 0.00 -0.38 -2.42 119.26 122.60 1ub7 h ALA 57 Ca -0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 54.91 53.96 1ub7 h ALA 57 Cb 0.36 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ub7 h ALA 57 CO 0.02 0.97 -0.76 0.28 0.00 0.00 0.00 179.25 179.76 1ub7 h VAL 58 N 0.05 1.30 -0.76 0.00 2.07 -0.38 -2.10 116.25 116.43 1ub7 h VAL 58 Ca -0.03 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 1ub7 h VAL 58 Cb 1.47 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 33.20 1ub7 h VAL 58 CO 0.12 0.63 0.47 -0.33 0.02 0.00 0.00 177.57 178.48 1ub7 h GLU 59 N 0.49 1.02 0.07 1.57 5.08 -0.92 0.12 114.58 122.01 1ub7 h GLU 59 Ca -0.05 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1ub7 h GLU 59 Cb 1.38 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ub7 h GLU 59 CO 0.15 0.70 -0.03 0.22 -1.00 0.00 0.00 179.01 179.05 1ub7 h ASP 60 N 1.04 -0.08 -0.80 1.42 3.58 -1.31 0.22 116.42 120.51 1ub7 h ASP 60 Ca 0.28 -0.24 0.18 0.00 0.42 0.00 0.00 57.03 57.66 1ub7 h ASP 60 Cb -0.07 0.02 -0.11 0.00 1.72 0.00 0.00 39.33 40.89 1ub7 h ASP 60 CO -0.05 0.20 0.27 0.25 -2.88 0.00 0.00 179.24 177.03 1ub7 h LEU 61 N -0.36 0.16 -0.79 2.28 6.46 -0.74 0.16 115.31 122.49 1ub7 h LEU 61 Ca -0.01 0.14 -0.13 0.00 -0.12 0.00 0.00 57.88 57.77 1ub7 h LEU 61 Cb 0.31 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1ub7 h LEU 61 CO 0.01 -0.00 -0.58 -0.07 -0.62 0.00 0.00 178.44 177.19 1ub7 h LEU 62 N 0.34 0.10 -0.50 2.25 3.38 -0.74 0.54 115.31 120.68 1ub7 h LEU 62 Ca 0.46 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.22 1ub7 h LEU 62 Cb 0.81 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1ub7 h LEU 62 CO -0.50 0.65 -0.50 -0.09 0.09 0.00 0.00 178.44 178.09 1ub7 h ARG 63 N 0.07 0.65 0.00 1.13 9.65 0.13 -2.05 114.38 123.95 1ub7 h ARG 63 Ca -0.00 -0.38 -0.18 0.00 -1.10 0.00 0.00 59.98 58.31 1ub7 h ARG 63 Cb 1.04 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 1ub7 h ARG 63 CO 0.08 1.00 -0.96 0.00 2.80 0.00 0.00 179.97 182.88 1ub7 h ARG 64 N 0.51 0.00 -2.49 0.20 3.08 -0.55 -3.40 114.38 111.72 1ub7 h ARG 64 Ca 0.02 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.48 1ub7 h ARG 64 Cb 1.05 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.71 1ub7 h ARG 64 CO 0.10 0.69 -0.90 0.72 -1.07 0.00 0.00 179.97 179.51 1ub7 n HIS 65 N -3.22 -0.04 -1.65 3.04 8.25 0.19 -5.07 115.22 116.72 1ub7 n HIS 65 Ca -0.02 -3.52 -0.44 0.00 -0.26 0.00 0.00 57.72 53.47 1ub7 n HIS 65 Cb 0.87 0.06 -0.02 0.00 1.12 0.00 0.00 29.99 32.02 1ub7 n HIS 65 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1ub7 n PRO 66 N 2.58 1.84 -1.54 -0.41 -0.02 -0.78 -2.16 135.00 134.50 1ub7 n PRO 66 Ca 0.28 0.65 -0.15 0.00 -2.02 0.00 0.00 63.50 62.26 1ub7 n PRO 66 Cb 0.46 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1ub7 n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ub7 n GLY 67 N 1.51 1.30 0.07 -1.23 0.00 -1.26 -4.91 105.19 100.67 1ub7 n GLY 67 Ca 0.09 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ub7 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub7 n ALA 68 N 0.89 1.94 1.53 4.61 0.00 -0.92 -2.59 120.51 125.97 1ub7 n ALA 68 Ca -0.15 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.42 1ub7 n ALA 68 Cb 0.51 -1.39 0.56 0.00 0.00 0.00 0.00 19.45 19.12 1ub7 n ALA 68 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ub7 n LEU 69 N -1.95 1.31 -4.70 0.00 4.77 -1.26 -4.80 117.00 110.37 1ub7 n LEU 69 Ca 0.04 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 1ub7 n LEU 69 Cb 0.29 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1ub7 n LEU 69 CO 0.22 0.23 1.15 -0.70 -1.33 0.00 0.00 177.39 176.96 1ub7 s GLU 70 N -1.97 4.28 0.00 3.23 2.12 -1.07 -2.19 118.70 123.10 1ub7 s GLU 70 Ca 0.38 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.79 1ub7 s GLU 70 Cb 0.20 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1ub7 s GLU 70 CO 0.33 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 1ub7 n GLY 71 N 3.67 0.85 3.66 -1.50 0.00 -1.26 -5.00 105.19 105.61 1ub7 n GLY 71 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1ub7 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub7 s VAL 72 N -2.75 4.48 -0.79 1.61 1.01 -0.93 -2.85 120.40 120.19 1ub7 s VAL 72 Ca 0.00 1.79 0.08 0.00 0.00 0.00 0.00 61.98 63.85 1ub7 s VAL 72 Cb 0.00 -4.16 0.17 0.00 0.00 0.00 0.00 36.38 32.38 1ub7 s VAL 72 CO 0.00 -0.17 1.03 0.47 0.00 0.00 0.00 175.10 176.44 1ub7 n ASP 73 N 6.48 2.32 -3.69 3.32 8.00 -0.83 -4.54 116.55 127.61 1ub7 n ASP 73 Ca 0.13 -1.77 -0.11 0.00 0.71 0.00 0.00 54.79 53.75 1ub7 n ASP 73 Cb 0.45 -0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 41.35 1ub7 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ub7 s ALA 74 N -0.88 -1.30 -0.14 2.24 0.00 -1.23 -1.90 121.76 118.53 1ub7 s ALA 74 Ca 0.14 1.64 0.02 0.00 0.00 0.00 0.00 51.96 53.76 1ub7 s ALA 74 Cb 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1ub7 s ALA 74 CO 0.11 -0.27 -0.20 0.08 0.00 0.00 0.00 175.76 175.48 1ub7 s VAL 75 N 0.85 2.25 -0.12 0.00 1.01 -0.41 -0.13 120.40 123.85 1ub7 s VAL 75 Ca -0.05 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1ub7 s VAL 75 Cb -0.05 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1ub7 s VAL 75 CO -0.07 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 174.76 1ub7 s ILE 76 N 0.80 1.73 -0.31 2.22 1.01 -0.12 -2.14 121.20 124.39 1ub7 s ILE 76 Ca -0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1ub7 s ILE 76 Cb -0.16 -1.55 0.04 0.00 0.01 0.00 0.00 42.46 40.80 1ub7 s ILE 76 CO -0.01 0.49 0.05 -0.69 0.00 0.00 0.00 174.94 174.77 1ub7 s VAL 77 N 0.90 3.44 -0.18 2.92 1.01 -0.65 -0.45 120.40 127.38 1ub7 s VAL 77 Ca -0.07 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.51 1ub7 s VAL 77 Cb -0.15 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1ub7 s VAL 77 CO -0.01 -0.09 0.76 0.00 0.00 0.00 0.00 175.10 175.75 1ub7 s ALA 78 N 1.35 3.53 0.24 5.51 0.00 0.94 -0.67 121.76 132.66 1ub7 s ALA 78 Ca -0.02 -0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 1ub7 s ALA 78 Cb -0.19 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1ub7 s ALA 78 CO 0.01 -0.63 0.86 -0.08 0.00 0.00 0.00 175.76 175.92 1ub7 s THR 79 N 2.09 0.00 0.00 0.00 -1.32 -0.94 -1.59 115.64 113.87 1ub7 s THR 79 Ca 0.35 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1ub7 s THR 79 Cb -0.16 -2.26 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 1ub7 s THR 79 CO 0.11 0.00 0.26 0.59 -2.21 0.00 0.00 174.62 173.37 1ub7 n ASN 80 N -0.72 0.00 -2.74 8.08 3.02 -1.26 -4.31 115.26 117.33 1ub7 n ASN 80 Ca -0.05 -1.00 -0.18 0.00 -0.03 0.00 0.00 54.58 53.32 1ub7 n ASN 80 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1ub7 n ASN 80 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ub7 n THR 81 N 0.00 1.41 -1.37 3.41 -2.24 -1.26 -5.08 114.28 109.14 1ub7 n THR 81 Ca 0.00 -4.16 -0.34 0.00 -2.27 0.00 0.00 64.05 57.28 1ub7 n THR 81 Cb 0.38 -0.29 0.10 0.00 -2.10 0.00 0.00 70.33 68.43 1ub7 n THR 81 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ub7 s PRO 82 N -3.15 2.07 0.11 -0.78 0.04 -1.26 -4.55 135.00 127.47 1ub7 s PRO 82 Ca 0.38 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 1ub7 s PRO 82 Cb 0.40 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 33.02 1ub7 s PRO 82 CO -0.07 -1.87 1.64 -0.44 0.04 0.00 0.00 177.00 176.30 1ub7 h ASP 83 N -0.47 -0.70 -4.54 6.66 5.19 -1.97 -3.45 116.42 117.14 1ub7 h ASP 83 Ca -0.47 0.08 -0.28 0.00 -0.62 0.00 0.00 57.03 55.74 1ub7 h ASP 83 Cb 1.29 0.26 -0.15 0.00 0.18 0.00 0.00 39.33 40.91 1ub7 h ASP 83 CO 0.49 -0.34 -0.67 0.00 -3.12 0.00 0.00 179.24 175.60 1ub7 s ALA 84 N -6.07 1.29 0.39 3.45 0.00 -1.26 -5.01 121.76 114.55 1ub7 s ALA 84 Ca -0.16 -1.55 0.27 0.00 0.00 0.00 0.00 51.96 50.52 1ub7 s ALA 84 Cb 0.08 0.49 1.39 0.00 0.00 0.00 0.00 23.12 25.08 1ub7 s ALA 84 CO 0.65 -0.31 2.04 -0.07 0.00 0.00 0.00 175.76 178.08 1ub7 h LEU 85 N 2.74 0.00 -7.00 0.00 3.38 -2.02 -3.44 115.31 108.97 1ub7 h LEU 85 Ca -0.36 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.78 1ub7 h LEU 85 Cb 1.20 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.64 1ub7 h LEU 85 CO 0.63 0.13 0.80 0.72 0.09 0.00 0.00 178.44 180.81 1ub7 s PHE 86 N -4.14 -0.14 0.63 1.13 -0.71 -1.26 -4.65 117.98 108.84 1ub7 s PHE 86 Ca -0.02 0.33 -0.18 0.00 -1.04 0.00 0.00 56.93 56.01 1ub7 s PHE 86 Cb 0.13 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1ub7 s PHE 86 CO 0.59 -0.07 1.24 -1.25 -1.34 0.00 0.00 175.22 174.39 1ub7 s PRO 87 N -0.08 2.73 0.54 1.99 0.04 -1.26 -5.13 135.00 133.83 1ub7 s PRO 87 Ca 0.07 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 1ub7 s PRO 87 Cb -0.04 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1ub7 s PRO 87 CO -0.13 -1.42 1.08 0.16 0.04 0.00 0.00 177.00 176.74 1ub7 s ASP 88 N -1.56 5.91 0.33 6.66 -4.77 -1.26 -4.42 116.67 117.56 1ub7 s ASP 88 Ca 0.79 2.01 0.03 0.00 -3.30 0.00 0.00 52.55 52.08 1ub7 s ASP 88 Cb -0.33 -2.56 0.63 0.00 -1.09 0.00 0.00 42.92 39.57 1ub7 s ASP 88 CO 0.37 -1.08 1.94 0.74 0.70 0.00 0.00 175.17 177.83 1ub7 h THR 89 N 1.09 1.05 -0.08 2.11 2.02 -1.93 -1.95 112.91 115.22 1ub7 h THR 89 Ca -0.49 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1ub7 h THR 89 Cb 1.24 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1ub7 h THR 89 CO 0.57 0.16 -0.05 0.00 0.37 0.00 0.00 175.52 176.57 1ub7 h ALA 90 N 1.56 1.77 -0.41 6.16 0.00 -1.90 -1.45 119.26 124.98 1ub7 h ALA 90 Ca 0.35 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1ub7 h ALA 90 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ub7 h ALA 90 CO -0.12 0.18 -0.31 0.00 0.00 0.00 0.00 179.25 179.00 1ub7 h ALA 91 N 1.84 0.67 -0.58 0.00 0.00 -1.63 -1.02 119.26 118.54 1ub7 h ALA 91 Ca 0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ub7 h ALA 91 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ub7 h ALA 91 CO 0.01 0.67 0.22 -0.07 0.00 0.00 0.00 179.25 180.08 1ub7 h LEU 92 N 0.77 0.78 -0.23 0.00 3.38 -1.18 -1.26 115.31 117.57 1ub7 h LEU 92 Ca 0.08 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ub7 h LEU 92 Cb 0.88 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1ub7 h LEU 92 CO 0.08 0.72 -0.08 0.58 0.09 0.00 0.00 178.44 179.83 1ub7 h VAL 93 N 0.84 1.29 -0.66 1.22 2.07 -1.15 0.62 116.25 120.48 1ub7 h VAL 93 Ca 0.20 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.68 1ub7 h VAL 93 Cb 0.19 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1ub7 h VAL 93 CO -0.02 0.34 0.34 -0.61 0.02 0.00 0.00 177.57 177.65 1ub7 h GLN 94 N 0.17 0.59 -0.07 1.57 -0.00 -0.78 -1.57 115.11 115.03 1ub7 h GLN 94 Ca 0.05 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.63 1ub7 h GLN 94 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.90 1ub7 h GLN 94 CO 0.03 0.39 -0.12 0.00 0.00 0.00 0.00 178.83 179.13 1ub7 h ALA 95 N 1.38 0.11 -1.00 3.38 0.00 -1.17 0.22 119.26 122.17 1ub7 h ALA 95 Ca 0.31 -0.33 0.18 0.00 0.00 0.00 0.00 54.91 55.07 1ub7 h ALA 95 Cb 0.27 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1ub7 h ALA 95 CO -0.22 -0.01 0.62 -0.09 0.00 0.00 0.00 179.25 179.54 1ub7 h ARG 96 N -0.27 0.78 -0.68 0.00 9.65 -0.55 -0.67 114.38 122.64 1ub7 h ARG 96 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1ub7 h ARG 96 Cb 0.69 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1ub7 h ARG 96 CO 0.03 0.52 0.00 1.19 2.80 0.00 0.00 179.97 184.51 1ub7 n PHE 97 N -4.73 1.25 -3.88 2.20 3.72 -0.62 -4.96 117.46 110.44 1ub7 n PHE 97 Ca 0.22 -0.56 -0.25 0.00 -0.05 0.00 0.00 57.45 56.81 1ub7 n PHE 97 Cb 0.53 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1ub7 n PHE 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ub7 n GLY 98 N 1.33 -0.30 3.87 1.37 0.00 -0.26 -4.95 105.19 106.25 1ub7 n GLY 98 Ca 0.25 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 1ub7 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub7 s LEU 99 N -6.93 4.26 -0.83 0.99 1.43 0.68 -5.01 118.68 113.27 1ub7 s LEU 99 Ca 0.14 0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 53.98 1ub7 s LEU 99 Cb -0.07 -3.40 0.14 0.00 0.03 0.00 0.00 46.19 42.89 1ub7 s LEU 99 CO 0.86 0.04 0.97 -0.75 0.23 0.00 0.00 176.35 177.69 1ub7 s LYS 100 N -2.38 3.46 0.15 1.70 2.20 -1.26 -4.79 119.74 118.84 1ub7 s LYS 100 Ca 0.41 -1.75 -0.21 0.00 -0.36 0.00 0.00 55.97 54.06 1ub7 s LYS 100 Cb -0.13 -4.65 0.06 0.00 -1.51 0.00 0.00 37.83 31.60 1ub7 s LYS 100 CO 0.20 -1.64 0.56 0.00 -0.36 0.00 0.00 175.35 174.11 1ub7 s ALA 101 N 2.29 -1.45 0.55 3.13 0.00 -1.26 -4.43 121.76 120.59 1ub7 s ALA 101 Ca 0.25 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 1ub7 s ALA 101 Cb -0.10 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1ub7 s ALA 101 CO -0.05 -0.75 0.84 -0.59 0.00 0.00 0.00 175.76 175.22 1ub7 s PHE 102 N -3.76 3.29 -0.21 0.00 -0.71 -0.80 -4.91 117.98 110.87 1ub7 s PHE 102 Ca 0.02 0.59 -0.21 0.00 -1.04 0.00 0.00 56.93 56.28 1ub7 s PHE 102 Cb -0.00 -2.60 0.06 0.00 -1.21 0.00 0.00 43.02 39.26 1ub7 s PHE 102 CO -0.12 -0.67 0.59 0.00 -1.34 0.00 0.00 175.22 173.68 1ub7 s ALA 103 N -2.88 -1.46 0.11 1.99 0.00 -1.26 -1.29 121.76 116.97 1ub7 s ALA 103 Ca 0.52 1.61 -0.19 0.00 0.00 0.00 0.00 51.96 53.90 1ub7 s ALA 103 Cb -0.10 -0.88 0.05 0.00 0.00 0.00 0.00 23.12 22.18 1ub7 s ALA 103 CO 0.44 -0.28 0.46 1.52 0.00 0.00 0.00 175.76 177.90 1ub7 s TYR 104 N 0.17 -0.32 -0.05 0.00 1.13 -0.91 -4.67 117.35 112.71 1ub7 s TYR 104 Ca -0.01 0.11 -0.08 0.00 -1.41 0.00 0.00 57.07 55.68 1ub7 s TYR 104 Cb -0.04 0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 41.11 1ub7 s TYR 104 CO 0.01 -0.71 0.23 -0.51 -2.51 0.00 0.00 175.55 172.07 1ub7 s ASP 105 N -2.58 6.50 -0.17 -0.18 1.01 -1.26 -1.64 116.67 118.35 1ub7 s ASP 105 Ca 0.00 0.58 -0.01 0.00 0.71 0.00 0.00 52.55 53.83 1ub7 s ASP 105 Cb 0.01 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.83 1ub7 s ASP 105 CO -0.10 0.33 -0.13 -0.22 0.21 0.00 0.00 175.17 175.26 1ub7 s LEU 106 N -1.37 2.56 -0.27 1.23 0.20 0.15 -4.90 118.68 116.29 1ub7 s LEU 106 Ca 0.22 -0.45 -0.03 0.00 0.69 0.00 0.00 54.13 54.56 1ub7 s LEU 106 Cb -0.13 -1.60 0.02 0.00 -0.43 0.00 0.00 46.19 44.05 1ub7 s LEU 106 CO 0.11 0.07 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.47 1ub7 s LEU 107 N 0.93 3.47 0.00 -0.68 1.02 -1.26 -2.21 118.68 119.95 1ub7 s LEU 107 Ca -0.03 -0.86 0.06 0.00 0.02 0.00 0.00 54.13 53.32 1ub7 s LEU 107 Cb -0.15 -1.74 0.09 0.00 0.02 0.00 0.00 46.19 44.42 1ub7 s LEU 107 CO -0.01 -0.16 0.94 0.00 0.02 0.00 0.00 176.35 177.14 1ub7 n ALA 108 N 4.73 2.96 -0.43 4.21 0.00 -1.26 -5.06 120.51 125.66 1ub7 n ALA 108 Ca -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1ub7 n ALA 108 Cb 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1ub7 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 109 N 0.11 1.46 0.28 0.00 0.00 -1.26 -3.95 105.19 101.83 1ub7 n GLY 109 Ca -0.13 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ub7 n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ub7 n PRO 111 N 0.00 -0.09 -0.32 1.61 -0.02 -1.26 -4.70 135.00 130.22 1ub7 n PRO 111 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 1ub7 n PRO 111 Cb 0.00 -0.20 0.33 0.00 -0.02 0.00 0.00 33.50 33.61 1ub7 n PRO 111 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ub7 h GLY 112 N 0.00 1.67 1.10 -1.23 0.00 -1.94 -1.42 103.07 101.24 1ub7 h GLY 112 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1ub7 h GLY 112 CO 0.00 -0.23 -0.13 -0.25 0.00 0.00 0.00 176.54 175.92 1ub7 h TRP 113 N 0.49 1.16 -0.40 5.60 7.01 -1.84 0.46 115.95 128.43 1ub7 h TRP 113 Ca 0.58 -0.25 -0.13 0.00 2.11 0.00 0.00 58.89 61.20 1ub7 h TRP 113 Cb 1.08 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 1ub7 h TRP 113 CO -0.08 1.08 -0.28 0.82 -2.79 0.00 0.00 178.44 177.19 1ub7 h ILE 114 N 0.90 1.27 -0.71 2.65 2.04 -1.78 -0.29 117.51 121.60 1ub7 h ILE 114 Ca 0.13 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.62 1ub7 h ILE 114 Cb 0.71 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1ub7 h ILE 114 CO 0.05 0.48 0.42 1.88 0.00 0.00 0.00 178.15 180.98 1ub7 h TYR 115 N 0.72 0.77 -0.34 1.37 -1.99 -0.92 -0.92 116.97 115.65 1ub7 h TYR 115 Ca 0.09 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.77 1ub7 h TYR 115 Cb 0.82 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 1ub7 h TYR 115 CO 0.05 0.39 -0.09 0.00 -0.00 0.00 0.00 178.16 178.51 1ub7 h ALA 116 N 1.35 1.21 -0.32 3.88 0.00 -0.30 -0.58 119.26 124.51 1ub7 h ALA 116 Ca 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ub7 h ALA 116 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ub7 h ALA 116 CO -0.17 0.51 0.13 -0.07 0.00 0.00 0.00 179.25 179.65 1ub7 h LEU 117 N 0.53 0.44 -0.61 0.00 3.38 -0.12 0.87 115.31 119.79 1ub7 h LEU 117 Ca 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ub7 h LEU 117 Cb 0.48 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1ub7 h LEU 117 CO 0.03 0.48 0.35 0.00 0.09 0.00 0.00 178.44 179.39 1ub7 h ALA 118 N 0.97 0.78 -0.62 1.53 0.00 -0.85 0.15 119.26 121.23 1ub7 h ALA 118 Ca 0.11 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1ub7 h ALA 118 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ub7 h ALA 118 CO -0.01 0.28 0.06 1.96 0.00 0.00 0.00 179.25 181.54 1ub7 h GLN 119 N 0.83 1.04 -0.62 0.00 1.08 -0.85 -1.75 115.11 114.84 1ub7 h GLN 119 Ca 0.22 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 1ub7 h GLN 119 Cb 0.01 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1ub7 h GLN 119 CO -0.04 0.99 0.05 0.00 -0.95 0.00 0.00 178.83 178.88 1ub7 h ALA 120 N 1.08 0.82 -0.70 3.87 0.00 -0.40 -1.18 119.26 122.76 1ub7 h ALA 120 Ca 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ub7 h ALA 120 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ub7 h ALA 120 CO 0.02 0.63 0.38 1.25 0.00 0.00 0.00 179.25 181.53 1ub7 h HIS 121 N 0.96 0.97 -0.48 0.00 -0.00 -0.46 -1.67 115.15 114.47 1ub7 h HIS 121 Ca 0.18 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.40 1ub7 h HIS 121 Cb 0.50 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1ub7 h HIS 121 CO 0.04 0.69 -0.18 0.00 -0.00 0.00 0.00 177.93 178.48 1ub7 h ALA 122 N 1.19 0.76 -0.23 5.26 0.00 -1.01 -0.07 119.26 125.16 1ub7 h ALA 122 Ca 0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ub7 h ALA 122 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ub7 h ALA 122 CO -0.04 0.66 0.11 -0.07 0.00 0.00 0.00 179.25 179.91 1ub7 h LEU 123 N 0.84 0.31 -0.28 0.00 3.38 -1.01 0.16 115.31 118.71 1ub7 h LEU 123 Ca 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ub7 h LEU 123 Cb 0.75 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1ub7 h LEU 123 CO 0.06 0.36 0.17 0.58 0.09 0.00 0.00 178.44 179.70 1ub7 h VAL 124 N 0.24 1.09 -0.17 1.22 2.07 -1.14 0.38 116.25 119.94 1ub7 h VAL 124 Ca 0.08 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1ub7 h VAL 124 Cb 0.14 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1ub7 h VAL 124 CO -0.01 0.09 -0.26 -0.33 0.02 0.00 0.00 177.57 177.08 1ub7 h GLU 125 N 0.36 0.32 -0.00 1.57 4.39 -0.83 -2.20 114.58 118.18 1ub7 h GLU 125 Ca 0.10 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ub7 h GLU 125 Cb -0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1ub7 h GLU 125 CO -0.02 0.56 -0.11 0.00 -1.16 0.00 0.00 179.01 178.28 1ub7 n ALA 126 N -2.48 2.78 -0.88 3.43 0.00 0.54 -4.92 120.51 118.98 1ub7 n ALA 126 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ub7 n ALA 126 Cb 0.38 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1ub7 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 127 N 1.26 0.64 0.14 0.00 0.00 -0.58 -4.91 105.19 101.73 1ub7 n GLY 127 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1ub7 n GLY 127 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ub7 h LEU 128 N 0.00 0.00 -7.42 0.99 3.38 -1.21 -3.45 115.31 107.60 1ub7 h LEU 128 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1ub7 h LEU 128 Cb 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 1ub7 h LEU 128 CO 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.21 1ub7 s ALA 129 N -3.19 -0.80 -0.09 1.53 0.00 -1.11 -4.99 121.76 113.09 1ub7 s ALA 129 Ca 0.08 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.56 1ub7 s ALA 129 Cb 0.10 -0.40 -0.23 0.00 0.00 0.00 0.00 23.12 22.59 1ub7 s ALA 129 CO 0.57 -0.18 0.94 0.37 0.00 0.00 0.00 175.76 177.47 1ub7 h GLN 130 N 5.23 -0.01 -4.48 0.00 4.15 -1.87 -3.31 115.11 114.81 1ub7 h GLN 130 Ca -0.27 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 58.96 1ub7 h GLN 130 Cb 1.18 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.72 1ub7 h GLN 130 CO 0.32 0.74 -0.69 0.15 -1.93 0.00 0.00 178.83 177.41 1ub7 s LYS 131 N -3.04 0.71 -0.02 1.69 1.02 -1.13 -4.31 119.74 114.66 1ub7 s LYS 131 Ca -0.17 -1.21 0.01 0.00 0.02 0.00 0.00 55.97 54.62 1ub7 s LYS 131 Cb -0.01 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.25 1ub7 s LYS 131 CO 0.66 -0.04 -0.03 0.08 -0.92 0.00 0.00 175.35 175.09 1ub7 s VAL 132 N -3.41 0.34 -0.37 3.17 1.01 0.15 -1.96 120.40 119.33 1ub7 s VAL 132 Ca 0.07 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 1ub7 s VAL 132 Cb 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1ub7 s VAL 132 CO -0.06 0.15 0.59 -0.22 0.00 0.00 0.00 175.10 175.57 1ub7 s LEU 133 N 0.58 4.33 -0.35 3.92 2.96 0.82 0.48 118.68 131.42 1ub7 s LEU 133 Ca -0.06 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1ub7 s LEU 133 Cb -0.10 -2.71 0.03 0.00 0.50 0.00 0.00 46.19 43.92 1ub7 s LEU 133 CO -0.01 -0.58 0.14 0.00 -1.32 0.00 0.00 176.35 174.58 1ub7 s ALA 134 N 2.61 3.12 -0.03 5.97 0.00 0.37 -0.95 121.76 132.86 1ub7 s ALA 134 Ca 0.22 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.44 1ub7 s ALA 134 Cb -0.15 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1ub7 s ALA 134 CO 0.15 -1.33 0.08 0.08 0.00 0.00 0.00 175.76 174.73 1ub7 s VAL 135 N 1.45 4.78 -0.23 0.00 1.01 0.40 -1.60 120.40 126.22 1ub7 s VAL 135 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1ub7 s VAL 135 Cb -0.19 -3.16 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1ub7 s VAL 135 CO 0.04 0.41 -0.07 -0.83 0.00 0.00 0.00 175.10 174.64 1ub7 s GLY 136 N -1.57 1.35 -0.10 4.51 0.00 0.82 -0.04 107.32 112.28 1ub7 s GLY 136 Ca 0.21 -1.39 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 1ub7 s GLY 136 CO 0.12 0.82 0.24 0.00 0.00 0.00 0.00 173.10 174.28 1ub7 s ALA 137 N 1.34 -0.55 -0.02 3.20 0.00 -0.62 -0.08 121.76 125.04 1ub7 s ALA 137 Ca -0.05 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1ub7 s ALA 137 Cb -0.18 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1ub7 s ALA 137 CO -0.06 -0.18 -0.00 -1.21 0.00 0.00 0.00 175.76 174.30 1ub7 s GLU 138 N 1.06 0.21 -0.57 0.00 0.41 -0.52 -4.34 118.70 114.96 1ub7 s GLU 138 Ca -0.08 0.04 0.06 0.00 -0.41 0.00 0.00 54.97 54.58 1ub7 s GLU 138 Cb -0.09 -0.34 0.31 0.00 -1.78 0.00 0.00 34.13 32.23 1ub7 s GLU 138 CO -0.07 -0.08 0.84 0.00 -0.49 0.00 0.00 175.26 175.47 1ub7 n ALA 139 N 3.75 4.11 0.24 5.21 0.00 -1.26 -1.70 120.51 130.86 1ub7 n ALA 139 Ca -0.22 -4.53 0.16 0.00 0.00 0.00 0.00 53.44 48.85 1ub7 n ALA 139 Cb 0.53 -0.81 0.86 0.00 0.00 0.00 0.00 19.45 20.04 1ub7 n ALA 139 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ub7 h LEU 140 N 3.42 0.00 -2.72 0.00 3.38 -1.96 -1.98 115.31 115.46 1ub7 h LEU 140 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ub7 h LEU 140 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1ub7 h LEU 140 CO 0.78 0.00 0.08 0.77 0.09 0.00 0.00 178.44 180.15 1ub7 h SER 141 N 0.00 0.00 1.11 -0.43 4.64 -1.90 -0.72 113.55 116.25 1ub7 h SER 141 Ca 0.05 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1ub7 h SER 141 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1ub7 h SER 141 CO -0.00 0.00 -0.60 0.11 -0.87 0.00 0.00 176.83 175.47 1ub7 h LYS 142 N 0.00 0.00 -0.00 4.77 6.56 -1.78 -3.34 116.57 122.78 1ub7 h LYS 142 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ub7 h LYS 142 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1ub7 h LYS 142 CO -0.00 0.60 -0.01 0.44 -2.06 0.00 0.00 179.45 178.42 1ub7 n ILE 143 N -3.39 0.00 -2.87 1.86 -5.35 -0.36 -5.04 119.36 104.21 1ub7 n ILE 143 Ca 0.01 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.63 1ub7 n ILE 143 Cb 0.71 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.62 1ub7 n ILE 143 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1ub7 s ILE 144 N -0.36 4.34 -0.61 7.28 2.07 -0.71 -4.26 121.20 128.95 1ub7 s ILE 144 Ca 0.04 1.61 -0.20 0.00 -1.41 0.00 0.00 60.65 60.69 1ub7 s ILE 144 Cb 0.03 -3.89 0.09 0.00 0.13 0.00 0.00 42.46 38.82 1ub7 s ILE 144 CO 0.05 0.06 0.80 -0.62 -1.91 0.00 0.00 174.94 173.32 1ub7 s ASP 145 N -1.75 6.19 0.00 4.50 2.15 -1.26 -4.92 116.67 121.57 1ub7 s ASP 145 Ca 0.51 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 52.28 1ub7 s ASP 145 Cb -0.16 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1ub7 s ASP 145 CO 0.21 -1.22 0.59 0.79 -0.17 0.00 0.00 175.17 175.37 1ub7 n TRP 146 N 6.84 0.00 0.15 -5.34 7.02 -1.26 -1.79 117.44 123.06 1ub7 n TRP 146 Ca -0.07 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.50 1ub7 n TRP 146 Cb 0.44 -0.13 -0.13 0.00 -2.42 0.00 0.00 31.31 29.07 1ub7 n TRP 146 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1ub7 n ASN 147 N -1.09 0.91 -4.15 -0.99 5.03 -1.26 -4.69 115.26 109.02 1ub7 n ASN 147 Ca 0.00 -0.17 -0.43 0.00 0.87 0.00 0.00 54.58 54.85 1ub7 n ASN 147 Cb 0.02 1.66 0.00 0.00 -1.02 0.00 0.00 39.78 40.43 1ub7 n ASN 147 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1ub7 n ASP 148 N -1.98 4.55 -0.28 6.41 2.03 -0.74 -4.79 116.55 121.75 1ub7 n ASP 148 Ca -0.02 -2.91 0.28 0.00 0.52 0.00 0.00 54.79 52.66 1ub7 n ASP 148 Cb 0.43 -1.67 0.43 0.00 -0.72 0.00 0.00 41.12 39.59 1ub7 n ASP 148 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ub7 n ARG 149 N 6.73 0.01 -0.00 -0.67 1.85 -1.26 0.78 116.66 124.10 1ub7 n ARG 149 Ca 0.48 0.84 0.04 0.00 -1.00 0.00 0.00 57.85 58.21 1ub7 n ARG 149 Cb 0.42 -2.05 0.41 0.00 -1.05 0.00 0.00 32.46 30.19 1ub7 n ARG 149 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ub7 h ALA 150 N 0.52 1.68 0.00 2.89 0.00 -1.95 -3.34 119.26 119.07 1ub7 h ALA 150 Ca 0.49 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 1ub7 h ALA 150 Cb 2.57 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 20.17 1ub7 h ALA 150 CO -0.01 0.29 -1.38 0.25 0.00 0.00 0.00 179.25 178.40 1ub7 n THR 151 N -4.46 0.39 0.26 0.00 -2.24 0.23 -4.66 114.28 103.80 1ub7 n THR 151 Ca 0.03 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.79 1ub7 n THR 151 Cb 0.07 -0.75 0.60 0.00 -2.10 0.00 0.00 70.33 68.15 1ub7 n THR 151 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ub7 h ALA 152 N 0.02 1.71 -0.02 6.98 0.00 -1.59 0.85 119.26 127.21 1ub7 h ALA 152 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ub7 h ALA 152 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ub7 h ALA 152 CO -0.02 -0.62 -0.16 1.33 0.00 0.00 0.00 179.25 179.77 1ub7 n VAL 153 N -2.95 0.00 -0.09 0.00 0.24 -1.25 -4.51 118.33 109.78 1ub7 n VAL 153 Ca 0.01 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 1ub7 n VAL 153 Cb 0.63 1.37 -0.14 0.00 -1.47 0.00 0.00 33.84 34.23 1ub7 n VAL 153 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1ub7 n LEU 154 N 0.74 1.65 -4.91 1.34 7.94 0.29 -4.95 117.00 119.11 1ub7 n LEU 154 Ca 0.11 0.03 -0.28 0.00 -1.11 0.00 0.00 56.01 54.75 1ub7 n LEU 154 Cb 0.50 -0.32 -0.03 0.00 0.53 0.00 0.00 43.42 44.10 1ub7 n LEU 154 CO 0.18 0.71 0.18 -0.36 -1.11 0.00 0.00 177.39 176.99 1ub7 s PHE 155 N -2.53 3.48 0.08 1.96 0.08 -1.15 -1.09 117.98 118.82 1ub7 s PHE 155 Ca -0.21 0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.45 1ub7 s PHE 155 Cb 0.07 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1ub7 s PHE 155 CO 0.73 0.20 -0.04 0.20 -0.10 0.00 0.00 175.22 176.21 1ub7 s GLY 156 N -3.17 0.66 0.04 4.36 0.00 0.29 -4.63 107.32 104.88 1ub7 s GLY 156 Ca 0.43 -1.30 -0.00 0.00 0.00 0.00 0.00 44.72 43.85 1ub7 s GLY 156 CO 0.30 -1.40 0.19 0.99 0.00 0.00 0.00 173.10 173.18 1ub7 s ASP 157 N -2.99 6.25 0.00 1.64 1.01 -0.66 -4.03 116.67 117.88 1ub7 s ASP 157 Ca 0.11 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.62 1ub7 s ASP 157 Cb 0.07 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 42.09 1ub7 s ASP 157 CO -0.07 0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.12 1ub7 n GLY 158 N 0.49 0.46 3.13 0.21 0.00 -0.69 -4.43 105.19 104.37 1ub7 n GLY 158 Ca -0.07 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1ub7 n GLY 158 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ub7 s GLY 159 N 0.00 0.01 0.07 -0.02 0.00 0.33 -1.43 107.32 106.27 1ub7 s GLY 159 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 44.72 44.49 1ub7 s GLY 159 CO 0.00 -0.22 0.39 -0.32 0.00 0.00 0.00 173.10 172.95 1ub7 s GLY 160 N -1.43 -0.25 0.04 0.20 0.00 0.89 0.25 107.32 107.03 1ub7 s GLY 160 Ca -0.14 0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 1ub7 s GLY 160 CO 0.02 -0.10 0.42 0.00 0.00 0.00 0.00 173.10 173.43 1ub7 s ALA 161 N -2.90 -1.03 -0.03 3.20 0.00 0.63 -0.12 121.76 121.50 1ub7 s ALA 161 Ca -0.03 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1ub7 s ALA 161 Cb 0.00 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.48 1ub7 s ALA 161 CO -0.05 -0.46 0.25 0.00 0.00 0.00 0.00 175.76 175.50 1ub7 s ALA 162 N -2.44 -0.63 -0.22 0.00 0.00 -0.63 -1.20 121.76 116.64 1ub7 s ALA 162 Ca -0.05 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 1ub7 s ALA 162 Cb -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1ub7 s ALA 162 CO -0.02 -0.22 0.14 0.08 0.00 0.00 0.00 175.76 175.74 1ub7 s VAL 163 N -1.03 5.36 -0.14 0.00 1.01 -0.50 -0.48 120.40 124.62 1ub7 s VAL 163 Ca -0.11 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1ub7 s VAL 163 Cb -0.05 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1ub7 s VAL 163 CO 0.03 0.40 -0.00 -0.69 0.00 0.00 0.00 175.10 174.84 1ub7 s VAL 164 N 0.65 4.23 0.08 2.92 1.01 0.18 -0.50 120.40 128.97 1ub7 s VAL 164 Ca 0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1ub7 s VAL 164 Cb -0.12 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.45 1ub7 s VAL 164 CO 0.01 0.52 0.50 0.61 0.00 0.00 0.00 175.10 176.74 1ub7 n GLY 165 N 3.13 0.91 3.74 4.51 0.00 -0.74 0.33 105.19 117.08 1ub7 n GLY 165 Ca -0.17 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1ub7 n GLY 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ub7 s LYS 166 N -2.02 4.26 0.26 1.61 2.20 -1.26 -0.15 119.74 124.63 1ub7 s LYS 166 Ca 0.11 2.30 0.08 0.00 -0.36 0.00 0.00 55.97 58.10 1ub7 s LYS 166 Cb -0.01 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 1ub7 s LYS 166 CO 0.02 -0.44 -0.11 0.14 -0.36 0.00 0.00 175.35 174.61 1ub7 s VAL 167 N 0.13 1.83 0.89 4.02 -7.23 -1.26 -4.78 120.40 113.99 1ub7 s VAL 167 Ca 0.60 -2.20 -0.13 0.00 -1.81 0.00 0.00 61.98 58.45 1ub7 s VAL 167 Cb -0.42 -2.30 0.06 0.00 0.56 0.00 0.00 36.38 34.28 1ub7 s VAL 167 CO 0.42 -0.41 0.72 0.54 -0.31 0.00 0.00 175.10 176.05 1ub7 n ARG 168 N -0.53 -0.16 -1.75 4.82 1.74 0.68 -4.86 116.66 116.61 1ub7 n ARG 168 Ca -0.06 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 1ub7 n ARG 168 Cb 0.62 -2.06 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 1ub7 n ARG 168 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ub7 n GLU 169 N -2.36 2.59 0.00 5.56 4.07 -1.26 -2.40 120.64 126.84 1ub7 n GLU 169 Ca 0.09 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.11 1ub7 n GLU 169 Cb 0.52 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.25 1ub7 n GLU 169 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ub7 n GLY 170 N 1.38 2.16 3.86 8.31 0.00 -1.26 -5.06 105.19 114.59 1ub7 n GLY 170 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1ub7 n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ub7 s TYR 171 N -2.49 1.65 0.00 1.61 1.51 -1.01 -4.94 117.35 113.68 1ub7 s TYR 171 Ca 0.00 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 55.16 1ub7 s TYR 171 Cb 0.00 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1ub7 s TYR 171 CO 0.00 -0.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.58 1ub7 n GLY 172 N -1.62 -2.50 3.71 0.71 0.00 -0.19 -4.78 105.19 100.52 1ub7 n GLY 172 Ca -0.08 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1ub7 n GLY 172 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ub7 s PHE 173 N -0.39 2.63 -0.19 1.61 0.08 0.62 -1.41 117.98 120.93 1ub7 s PHE 173 Ca 0.00 0.20 0.16 0.00 0.12 0.00 0.00 56.93 57.42 1ub7 s PHE 173 Cb 0.00 -4.16 -0.23 0.00 -0.57 0.00 0.00 43.02 38.06 1ub7 s PHE 173 CO 0.00 -4.54 0.06 0.54 -0.10 0.00 0.00 175.22 171.18 1ub7 n ARG 174 N 4.59 0.95 -3.63 0.44 1.74 0.34 -4.76 116.66 116.32 1ub7 n ARG 174 Ca 0.17 -0.01 -0.06 0.00 -0.77 0.00 0.00 57.85 57.18 1ub7 n ARG 174 Cb 0.36 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 1ub7 n ARG 174 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ub7 s SER 175 N -5.31 -0.27 -0.07 0.55 1.04 -1.19 -4.43 113.70 104.01 1ub7 s SER 175 Ca -0.10 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.06 1ub7 s SER 175 Cb 0.06 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1ub7 s SER 175 CO 0.76 -0.77 0.19 -0.36 0.98 0.00 0.00 173.24 174.05 1ub7 s PHE 176 N -3.21 -0.22 -0.10 5.02 0.08 -1.26 -2.41 117.98 115.88 1ub7 s PHE 176 Ca 0.09 0.54 0.01 0.00 0.12 0.00 0.00 56.93 57.69 1ub7 s PHE 176 Cb -0.01 0.06 0.02 0.00 -0.57 0.00 0.00 43.02 42.51 1ub7 s PHE 176 CO -0.03 -0.12 -0.10 0.08 -0.10 0.00 0.00 175.22 174.95 1ub7 s VAL 177 N 0.32 1.12 -0.00 -0.44 1.01 0.25 -4.99 120.40 117.67 1ub7 s VAL 177 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1ub7 s VAL 177 Cb -0.03 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 1ub7 s VAL 177 CO -0.01 0.37 -0.02 -0.76 0.00 0.00 0.00 175.10 174.68 1ub7 s LEU 178 N 1.24 1.98 0.30 3.92 1.43 -1.26 -0.17 118.68 126.12 1ub7 s LEU 178 Ca -0.03 -0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 52.85 1ub7 s LEU 178 Cb -0.14 -0.10 0.02 0.00 0.03 0.00 0.00 46.19 46.00 1ub7 s LEU 178 CO -0.03 0.02 0.70 -0.83 0.23 0.00 0.00 176.35 176.44 1ub7 s GLY 179 N -0.02 0.11 0.09 -3.19 0.00 -0.34 -5.00 107.32 98.97 1ub7 s GLY 179 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 44.72 44.02 1ub7 s GLY 179 CO -0.00 -0.21 0.51 0.00 0.00 0.00 0.00 173.10 173.40 1ub7 s ALA 180 N -3.59 -1.31 -0.36 3.20 0.00 -1.26 -1.75 121.76 116.69 1ub7 s ALA 180 Ca 0.14 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1ub7 s ALA 180 Cb -0.05 0.55 0.15 0.00 0.00 0.00 0.00 23.12 23.77 1ub7 s ALA 180 CO 0.08 -0.59 0.37 0.34 0.00 0.00 0.00 175.76 175.96 1ub7 s ASP 181 N -2.30 1.22 0.05 0.00 2.15 0.35 -4.98 116.67 113.15 1ub7 s ASP 181 Ca -0.02 -1.44 0.13 0.00 0.43 0.00 0.00 52.55 51.65 1ub7 s ASP 181 Cb -0.00 0.57 0.58 0.00 -0.30 0.00 0.00 42.92 43.76 1ub7 s ASP 181 CO -0.06 -0.28 1.42 0.61 -0.17 0.00 0.00 175.17 176.69 1ub7 n GLY 182 N 4.41 -0.94 0.31 2.66 0.00 -1.26 -0.88 105.19 109.49 1ub7 n GLY 182 Ca 0.09 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.29 1ub7 n GLY 182 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ub7 h THR 183 N 0.00 0.11 -0.98 2.61 1.35 -1.95 -2.07 112.91 111.98 1ub7 h THR 183 Ca 0.00 -0.24 -0.60 0.00 -0.55 0.00 0.00 66.41 65.02 1ub7 h THR 183 Cb 0.21 1.21 -0.29 0.00 -1.73 0.00 0.00 68.15 67.55 1ub7 h THR 183 CO 0.00 0.02 0.77 0.61 -0.25 0.00 0.00 175.52 176.66 1ub7 n GLY 184 N -0.69 5.20 0.20 5.82 0.00 -1.07 -4.52 105.19 110.14 1ub7 n GLY 184 Ca -0.02 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 1ub7 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub7 h ALA 185 N 1.55 1.15 0.00 4.61 0.00 -1.49 -2.90 119.26 122.18 1ub7 h ALA 185 Ca 0.61 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ub7 h ALA 185 Cb 1.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ub7 h ALA 185 CO 1.35 0.56 0.00 0.36 0.00 0.00 0.00 179.25 181.53 1ub7 n LYS 186 N -4.06 0.16 -0.22 0.00 2.85 -1.26 -3.67 118.16 111.97 1ub7 n LYS 186 Ca -0.01 0.25 -0.09 0.00 -1.05 0.00 0.00 58.31 57.41 1ub7 n LYS 186 Cb 0.45 -1.74 0.03 0.00 -0.65 0.00 0.00 35.03 33.12 1ub7 n LYS 186 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1ub7 h GLU 187 N 0.00 1.04 -2.62 -1.58 4.39 -1.86 -3.43 114.58 110.52 1ub7 h GLU 187 Ca 0.00 -0.29 -0.15 0.00 0.34 0.00 0.00 59.36 59.26 1ub7 h GLU 187 Cb 0.52 -0.12 -0.30 0.00 -0.10 0.00 0.00 28.75 28.76 1ub7 h GLU 187 CO 0.00 0.98 -0.44 -1.17 -1.16 0.00 0.00 179.01 177.22 1ub7 s LEU 188 N -9.46 -0.51 0.21 1.33 2.96 -1.24 0.12 118.68 112.10 1ub7 s LEU 188 Ca -0.12 0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 54.37 1ub7 s LEU 188 Cb 0.13 1.09 0.04 0.00 0.50 0.00 0.00 46.19 47.95 1ub7 s LEU 188 CO 0.84 -0.24 0.63 -0.72 -1.32 0.00 0.00 176.35 175.54 1ub7 s TYR 189 N 2.54 -0.33 -0.22 5.38 -0.85 -0.88 -4.58 117.35 118.40 1ub7 s TYR 189 Ca 0.00 0.01 -0.04 0.00 -0.52 0.00 0.00 57.07 56.52 1ub7 s TYR 189 Cb -0.12 0.58 0.11 0.00 0.38 0.00 0.00 41.96 42.92 1ub7 s TYR 189 CO -0.11 -1.01 0.36 -1.58 -1.52 0.00 0.00 175.55 171.69 1ub7 s HIS 190 N -3.84 -0.74 0.91 -3.49 2.46 -1.26 -1.21 115.29 108.13 1ub7 s HIS 190 Ca 0.06 0.94 -0.11 0.00 0.47 0.00 0.00 55.06 56.43 1ub7 s HIS 190 Cb -0.03 0.04 0.14 0.00 -0.13 0.00 0.00 32.58 32.60 1ub7 s HIS 190 CO -0.04 -0.62 1.10 0.00 -2.47 0.00 0.00 174.74 172.71 1ub7 s ALA 191 N 2.53 1.43 0.00 1.58 0.00 -1.26 -5.02 121.76 121.02 1ub7 s ALA 191 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1ub7 s ALA 191 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1ub7 s ALA 191 CO -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 175.76 173.10 1ub7 n VAL 193 N -0.89 1.54 -3.80 0.00 0.31 -1.26 -4.94 118.33 109.28 1ub7 n VAL 193 Ca 0.00 -0.80 -0.37 0.00 -0.01 0.00 0.00 64.34 63.16 1ub7 n VAL 193 Cb 0.00 -0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 1ub7 n VAL 193 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ub7 s ALA 194 N -2.55 3.81 -2.01 3.52 0.00 -1.26 -4.99 121.76 118.28 1ub7 s ALA 194 Ca -0.09 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1ub7 s ALA 194 Cb 0.07 -2.06 0.23 0.00 0.00 0.00 0.00 23.12 21.36 1ub7 s ALA 194 CO 0.81 0.49 1.19 -0.35 0.00 0.00 0.00 175.76 177.90 1ub7 n PRO 195 N 2.37 1.53 -3.51 0.00 -0.04 -1.26 -4.81 135.00 129.28 1ub7 n PRO 195 Ca -0.18 -0.82 -0.08 0.00 -0.04 0.00 0.00 63.50 62.38 1ub7 n PRO 195 Cb 0.54 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 1ub7 n PRO 195 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1ub7 s ARG 196 N -1.70 0.80 0.54 0.54 1.04 -1.26 -2.74 118.95 116.17 1ub7 s ARG 196 Ca 0.16 -0.29 0.02 0.00 -1.04 0.00 0.00 55.73 54.58 1ub7 s ARG 196 Cb 0.08 0.37 0.04 0.00 -2.04 0.00 0.00 34.95 33.40 1ub7 s ARG 196 CO 0.11 -0.35 0.76 -0.51 -0.04 0.00 0.00 175.30 175.27 1ub7 s LEU 197 N -2.45 3.30 0.32 -1.89 1.43 -0.75 -4.90 118.68 113.74 1ub7 s LEU 197 Ca 0.05 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1ub7 s LEU 197 Cb -0.01 -2.73 0.64 0.00 0.03 0.00 0.00 46.19 44.12 1ub7 s LEU 197 CO -0.09 -1.15 1.90 -0.65 0.23 0.00 0.00 176.35 176.59 1ub7 h PRO 198 N 0.11 0.87 -0.03 1.29 0.11 -1.97 -2.24 132.00 130.14 1ub7 h PRO 198 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ub7 h PRO 198 Cb 1.29 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ub7 h PRO 198 CO 0.50 0.57 0.00 -0.40 -0.21 0.00 0.00 178.00 178.46 1ub7 n ASP 199 N -4.52 0.23 0.00 -2.05 5.75 -1.26 -4.90 116.55 109.81 1ub7 n ASP 199 Ca 0.15 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1ub7 n ASP 199 Cb 0.29 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1ub7 n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ub7 n GLY 200 N 0.73 2.94 3.49 6.12 0.00 -0.84 -5.02 105.19 112.60 1ub7 n GLY 200 Ca 0.09 -0.17 -0.63 0.00 0.00 0.00 0.00 46.02 45.31 1ub7 n GLY 200 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ub7 n THR 201 N 0.00 0.02 -2.48 2.61 -1.04 -1.26 -4.59 114.28 107.55 1ub7 n THR 201 Ca 0.00 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 1ub7 n THR 201 Cb 0.00 -0.58 -0.02 0.00 -1.82 0.00 0.00 70.33 67.91 1ub7 n THR 201 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ub7 s SER 202 N 4.68 6.53 0.38 8.00 0.15 -1.26 -1.81 113.70 130.37 1ub7 s SER 202 Ca 1.12 0.73 -0.26 0.00 0.70 0.00 0.00 55.95 58.25 1ub7 s SER 202 Cb -1.46 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 60.22 1ub7 s SER 202 CO 0.72 -1.29 1.12 -0.04 1.20 0.00 0.00 173.24 174.95 1ub7 s MET 203 N 4.58 4.19 0.18 5.44 -1.94 -1.11 -4.98 119.30 125.66 1ub7 s MET 203 Ca 0.54 1.73 0.00 0.00 -1.71 0.00 0.00 55.69 56.26 1ub7 s MET 203 Cb -0.11 -2.72 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 1ub7 s MET 203 CO 0.30 -0.17 0.35 0.15 -0.01 0.00 0.00 175.02 175.64 1ub7 s LYS 204 N -2.22 3.49 0.00 2.03 1.02 -1.26 -4.78 119.74 118.02 1ub7 s LYS 204 Ca 0.55 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.12 1ub7 s LYS 204 Cb -0.28 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1ub7 s LYS 204 CO 0.36 0.45 0.33 0.27 -0.92 0.00 0.00 175.35 175.83 1ub7 n ASN 205 N -0.58 0.08 -4.29 2.83 2.04 -1.26 -4.27 115.26 109.82 1ub7 n ASN 205 Ca -0.05 -0.74 -0.15 0.00 -0.44 0.00 0.00 54.58 53.19 1ub7 n ASN 205 Cb 0.54 -0.04 -0.10 0.00 -2.53 0.00 0.00 39.78 37.64 1ub7 n ASN 205 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ub7 s ARG 206 N -1.78 1.29 -0.32 -3.83 1.70 -1.26 -4.99 118.95 109.76 1ub7 s ARG 206 Ca 0.00 -1.67 -0.29 0.00 -0.47 0.00 0.00 55.73 53.31 1ub7 s ARG 206 Cb 0.00 -0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.08 1ub7 s ARG 206 CO 0.00 -0.21 1.56 -1.17 -1.08 0.00 0.00 175.30 174.40 1ub7 s LEU 207 N -3.26 3.69 0.15 -1.89 0.20 -1.26 -4.67 118.68 111.65 1ub7 s LEU 207 Ca 0.32 1.25 0.03 0.00 0.69 0.00 0.00 54.13 56.41 1ub7 s LEU 207 Cb 0.07 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.26 1ub7 s LEU 207 CO 0.09 -1.41 0.27 -0.47 -0.29 0.00 0.00 176.35 174.55 1ub7 s TYR 208 N 5.61 3.46 -0.27 5.38 5.04 -0.35 -4.89 117.35 131.32 1ub7 s TYR 208 Ca 0.69 0.10 -0.21 0.00 -2.44 0.00 0.00 57.07 55.21 1ub7 s TYR 208 Cb -0.20 -1.65 0.08 0.00 0.35 0.00 0.00 41.96 40.53 1ub7 s TYR 208 CO 0.31 0.52 0.71 1.41 -1.34 0.00 0.00 175.55 177.15 1ub7 s MET 209 N -3.24 0.78 -1.03 4.97 -2.45 -1.26 -2.07 119.30 114.99 1ub7 s MET 209 Ca 0.34 1.11 -0.06 0.00 -1.25 0.00 0.00 55.69 55.83 1ub7 s MET 209 Cb -0.11 0.28 0.26 0.00 1.25 0.00 0.00 34.83 36.52 1ub7 s MET 209 CO 0.28 -0.12 1.05 -1.71 1.05 0.00 0.00 175.02 175.57 1ub7 n ASN 210 N 3.46 5.18 -0.39 1.11 2.85 0.12 -4.94 115.26 122.64 1ub7 n ASN 210 Ca -0.17 -3.12 -0.04 0.00 -0.11 0.00 0.00 54.58 51.14 1ub7 n ASN 210 Cb 0.57 -1.25 -0.00 0.00 1.24 0.00 0.00 39.78 40.34 1ub7 n ASN 210 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ub7 n GLY 211 N 2.34 -2.19 0.28 8.20 0.00 -1.26 -1.62 105.19 110.94 1ub7 n GLY 211 Ca 0.24 1.12 0.05 0.00 0.00 0.00 0.00 46.02 47.43 1ub7 n GLY 211 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ub7 h ARG 212 N 0.00 0.07 -0.04 1.61 -0.00 -1.98 0.26 114.38 114.30 1ub7 h ARG 212 Ca 0.28 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.74 1ub7 h ARG 212 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.48 1ub7 h ARG 212 CO -0.96 0.05 -0.06 0.93 0.00 0.00 0.00 179.97 179.93 1ub7 h GLU 213 N 0.07 0.11 -0.86 0.04 4.39 -1.73 -2.63 114.58 113.98 1ub7 h GLU 213 Ca 0.41 -0.07 0.18 0.00 0.34 0.00 0.00 59.36 60.22 1ub7 h GLU 213 Cb 0.71 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.31 1ub7 h GLU 213 CO -0.71 0.62 0.57 0.28 -1.16 0.00 0.00 179.01 178.61 1ub7 h VAL 214 N -0.38 0.74 -0.05 3.13 2.07 -0.31 -1.28 116.25 120.16 1ub7 h VAL 214 Ca 0.00 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ub7 h VAL 214 Cb 0.61 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1ub7 h VAL 214 CO 0.01 0.08 -0.04 0.15 0.02 0.00 0.00 177.57 177.80 1ub7 h PHE 215 N 0.46 0.13 0.26 1.57 3.04 -0.43 -2.15 116.94 119.82 1ub7 h PHE 215 Ca 0.44 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.35 1ub7 h PHE 215 Cb 0.99 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.44 1ub7 h PHE 215 CO -0.00 0.53 -0.48 0.87 -2.02 0.00 0.00 178.31 177.22 1ub7 h LYS 216 N -0.31 -0.76 -0.67 1.11 1.57 -0.92 -2.77 116.57 113.83 1ub7 h LYS 216 Ca 0.01 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1ub7 h LYS 216 Cb 0.50 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 1ub7 h LYS 216 CO 0.01 -0.51 -0.41 0.35 -0.57 0.00 0.00 179.45 178.33 1ub7 h PHE 217 N -0.79 -1.31 -0.50 -1.35 3.57 -1.33 -2.80 116.94 112.42 1ub7 h PHE 217 Ca -0.03 0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1ub7 h PHE 217 Cb 0.74 0.66 -0.09 0.00 2.79 0.00 0.00 35.95 40.05 1ub7 h PHE 217 CO -0.36 -0.26 -0.53 0.00 -2.23 0.00 0.00 178.31 174.93 1ub7 h ALA 218 N 0.02 -0.66 -0.50 2.41 0.00 -1.25 0.36 119.26 119.65 1ub7 h ALA 218 Ca 0.11 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1ub7 h ALA 218 Cb 0.29 1.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1ub7 h ALA 218 CO -0.64 -1.00 0.06 0.28 0.00 0.00 0.00 179.25 177.96 1ub7 h VAL 219 N -0.32 0.68 0.13 0.00 2.07 -1.25 0.27 116.25 117.83 1ub7 h VAL 219 Ca 0.10 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1ub7 h VAL 219 Cb 0.57 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1ub7 h VAL 219 CO -0.65 0.03 -0.06 0.03 0.02 0.00 0.00 177.57 176.94 1ub7 h ARG 220 N 0.19 -0.17 0.14 1.57 3.08 -1.20 -2.85 114.38 115.13 1ub7 h ARG 220 Ca 0.25 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1ub7 h ARG 220 Cb 0.36 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1ub7 h ARG 220 CO -0.36 0.15 -0.31 0.28 -1.07 0.00 0.00 179.97 178.66 1ub7 h VAL 221 N -0.51 0.00 -0.62 2.04 2.07 0.15 -1.63 116.25 117.73 1ub7 h VAL 221 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1ub7 h VAL 221 Cb 0.41 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.06 1ub7 h VAL 221 CO 0.03 0.00 -0.27 0.24 0.02 0.00 0.00 177.57 177.59 1ub7 h MET 222 N -0.49 -0.10 0.53 1.57 2.86 -0.58 -0.88 114.93 117.84 1ub7 h MET 222 Ca -0.01 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1ub7 h MET 222 Cb 0.47 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1ub7 h MET 222 CO -0.13 -0.06 -0.48 -0.97 1.06 0.00 0.00 176.91 176.33 1ub7 h ASN 223 N -0.10 -1.29 -0.19 1.22 -0.00 -1.32 -1.09 115.58 112.81 1ub7 h ASN 223 Ca 0.27 0.10 0.04 0.00 -0.00 0.00 0.00 56.30 56.70 1ub7 h ASN 223 Cb 0.53 0.42 -0.03 0.00 -0.00 0.00 0.00 38.32 39.24 1ub7 h ASN 223 CO -0.69 -0.65 -0.04 0.74 -0.00 0.00 0.00 177.43 176.80 1ub7 h THR 224 N -0.99 0.83 -0.40 -3.57 2.02 -0.94 -1.90 112.91 107.95 1ub7 h THR 224 Ca -0.07 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1ub7 h THR 224 Cb 0.84 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1ub7 h THR 224 CO -0.03 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.11 1ub7 h ALA 225 N 1.18 0.50 -0.05 6.16 0.00 -1.18 0.52 119.26 126.40 1ub7 h ALA 225 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ub7 h ALA 225 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1ub7 h ALA 225 CO -0.18 -0.07 -0.17 1.15 0.00 0.00 0.00 179.25 179.98 1ub7 h THR 226 N 0.51 0.58 -0.46 0.00 2.02 -0.98 0.64 112.91 115.21 1ub7 h THR 226 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1ub7 h THR 226 Cb -0.03 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1ub7 h THR 226 CO -0.05 0.00 0.16 -0.07 0.37 0.00 0.00 175.52 175.93 1ub7 h LEU 227 N -0.25 0.66 -0.87 2.58 3.38 -1.16 0.16 115.31 119.81 1ub7 h LEU 227 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1ub7 h LEU 227 Cb 0.34 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1ub7 h LEU 227 CO -0.20 0.68 0.46 -0.08 0.09 0.00 0.00 178.44 179.40 1ub7 h GLU 228 N 0.61 1.23 -0.32 1.13 4.81 -0.50 0.51 114.58 122.05 1ub7 h GLU 228 Ca 0.15 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1ub7 h GLU 228 Cb 0.24 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1ub7 h GLU 228 CO -0.01 0.91 -0.05 0.00 -0.73 0.00 0.00 179.01 179.13 1ub7 h ALA 229 N 1.25 0.43 -0.79 2.92 0.00 0.69 0.33 119.26 124.09 1ub7 h ALA 229 Ca 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ub7 h ALA 229 Cb 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ub7 h ALA 229 CO -0.05 0.24 0.45 0.82 0.00 0.00 0.00 179.25 180.71 1ub7 h ILE 230 N 0.37 1.23 0.18 0.00 2.04 -0.19 0.31 117.51 121.45 1ub7 h ILE 230 Ca 0.08 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1ub7 h ILE 230 Cb 0.53 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1ub7 h ILE 230 CO 0.03 0.25 -0.10 -0.08 0.00 0.00 0.00 178.15 178.24 1ub7 h GLU 231 N 1.09 -0.26 0.00 2.37 4.22 0.42 -1.93 114.58 120.49 1ub7 h GLU 231 Ca 0.28 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.69 1ub7 h GLU 231 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1ub7 h GLU 231 CO -0.05 -0.17 -0.24 -0.22 -2.18 0.00 0.00 179.01 176.15 1ub7 h LYS 232 N -0.27 0.00 0.00 1.92 3.64 -0.04 -0.88 116.57 120.94 1ub7 h LYS 232 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ub7 h LYS 232 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1ub7 h LYS 232 CO 0.02 0.24 0.00 0.00 -2.27 0.00 0.00 179.45 177.44 1ub7 n ALA 233 N -2.46 1.71 -2.41 5.00 0.00 0.07 -4.84 120.51 117.58 1ub7 n ALA 233 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1ub7 n ALA 233 Cb 0.30 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.46 1ub7 n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 234 N 0.09 0.70 0.50 0.00 0.00 -0.33 -4.94 105.19 101.21 1ub7 n GLY 234 Ca 0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 1ub7 n GLY 234 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ub7 n LEU 235 N -0.93 0.00 -4.26 0.99 4.77 -0.76 -5.05 117.00 111.76 1ub7 n LEU 235 Ca -0.01 -0.45 -0.14 0.00 -0.03 0.00 0.00 56.01 55.38 1ub7 n LEU 235 Cb 0.51 0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.82 1ub7 n LEU 235 CO 0.04 -0.09 -0.31 0.42 -1.33 0.00 0.00 177.39 176.12 1ub7 s THR 236 N -2.37 0.64 0.46 -5.08 -4.23 -1.26 -4.15 115.64 99.65 1ub7 s THR 236 Ca 0.05 -1.99 0.23 0.00 -1.18 0.00 0.00 61.69 58.80 1ub7 s THR 236 Cb 0.00 -2.25 0.42 0.00 1.34 0.00 0.00 72.50 72.01 1ub7 s THR 236 CO 0.04 -0.35 1.85 -0.65 -0.54 0.00 0.00 174.62 174.96 1ub7 h PRO 237 N 2.62 0.26 0.00 3.99 0.11 -1.96 -1.29 132.00 135.73 1ub7 h PRO 237 Ca -0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1ub7 h PRO 237 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ub7 h PRO 237 CO 0.62 0.17 -0.06 0.93 -0.21 0.00 0.00 178.00 179.45 1ub7 h GLU 238 N 0.27 0.00 0.00 1.05 3.07 -2.00 -2.54 114.58 114.43 1ub7 h GLU 238 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1ub7 h GLU 238 Cb 1.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 1ub7 h GLU 238 CO -0.14 0.06 -0.04 -0.25 -1.40 0.00 0.00 179.01 177.24 1ub7 n ASP 239 N -3.31 0.25 -4.60 1.42 8.00 -0.48 -4.78 116.55 113.05 1ub7 n ASP 239 Ca -0.01 0.47 -0.42 0.00 0.71 0.00 0.00 54.79 55.53 1ub7 n ASP 239 Cb 0.23 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 1ub7 n ASP 239 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ub7 s ILE 240 N -3.03 4.75 0.15 0.53 -1.09 -0.96 -4.33 121.20 117.22 1ub7 s ILE 240 Ca 0.13 1.06 -0.08 0.00 -2.23 0.00 0.00 60.65 59.53 1ub7 s ILE 240 Cb 0.17 -4.19 -0.08 0.00 -1.58 0.00 0.00 42.46 36.78 1ub7 s ILE 240 CO 0.56 -0.35 1.44 -0.09 -1.23 0.00 0.00 174.94 175.27 1ub7 h ARG 241 N 8.30 0.72 -2.80 2.79 9.65 -1.40 -3.46 114.38 128.18 1ub7 h ARG 241 Ca -0.24 -0.47 -0.14 0.00 -1.10 0.00 0.00 59.98 58.03 1ub7 h ARG 241 Cb 1.09 0.06 -0.26 0.00 -1.39 0.00 0.00 29.97 29.48 1ub7 h ARG 241 CO 0.90 1.10 -0.32 -1.17 2.80 0.00 0.00 179.97 183.28 1ub7 s LEU 242 N -8.49 0.34 -0.23 3.80 2.96 -1.23 -4.76 118.68 111.07 1ub7 s LEU 242 Ca -0.09 0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 54.49 1ub7 s LEU 242 Cb 0.10 1.22 -0.04 0.00 0.50 0.00 0.00 46.19 47.97 1ub7 s LEU 242 CO 0.87 -0.15 0.11 -0.36 -1.32 0.00 0.00 176.35 175.50 1ub7 s PHE 243 N 0.75 3.24 -0.40 5.38 0.40 -0.07 -1.53 117.98 125.74 1ub7 s PHE 243 Ca -0.05 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.36 1ub7 s PHE 243 Cb -0.06 -2.21 0.11 0.00 0.51 0.00 0.00 43.02 41.37 1ub7 s PHE 243 CO -0.05 -0.02 0.13 0.08 0.70 0.00 0.00 175.22 176.06 1ub7 s VAL 244 N 1.03 2.28 0.45 -0.44 1.01 0.35 -0.95 120.40 124.13 1ub7 s VAL 244 Ca 0.06 -2.64 -0.01 0.00 0.00 0.00 0.00 61.98 59.39 1ub7 s VAL 244 Cb -0.14 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1ub7 s VAL 244 CO 0.04 -0.68 0.68 -2.16 0.00 0.00 0.00 175.10 172.98 1ub7 s PRO 245 N 0.50 3.14 0.13 2.72 0.04 -1.26 -2.81 135.00 137.47 1ub7 s PRO 245 Ca 0.13 -0.38 -0.33 0.00 0.04 0.00 0.00 61.00 60.47 1ub7 s PRO 245 Cb -0.22 -2.53 -0.12 0.00 0.04 0.00 0.00 34.50 31.67 1ub7 s PRO 245 CO -0.06 -0.25 1.73 1.58 0.04 0.00 0.00 177.00 180.05 1ub7 n HIS 246 N -2.10 2.51 -1.67 0.56 -0.00 -0.33 -4.68 115.22 109.52 1ub7 n HIS 246 Ca 0.01 0.05 -0.41 0.00 -0.00 0.00 0.00 57.72 57.36 1ub7 n HIS 246 Cb 0.57 -2.65 -0.01 0.00 -0.00 0.00 0.00 29.99 27.90 1ub7 n HIS 246 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1ub7 n GLN 247 N 4.63 3.22 -0.01 1.57 1.13 -1.26 -4.62 117.38 122.05 1ub7 n GLN 247 Ca 0.18 -2.60 -0.14 0.00 -1.94 0.00 0.00 57.00 52.49 1ub7 n GLN 247 Cb 0.33 -3.10 -0.14 0.00 0.11 0.00 0.00 30.24 27.44 1ub7 n GLN 247 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ub7 n ALA 248 N 5.03 1.23 -3.48 -1.58 0.00 -1.26 -3.76 120.51 116.69 1ub7 n ALA 248 Ca 0.59 -0.70 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1ub7 n ALA 248 Cb 0.34 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 1ub7 n ALA 248 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ub7 s ASN 249 N -6.50 -0.73 0.30 0.00 3.84 -1.26 -4.67 114.94 105.92 1ub7 s ASN 249 Ca -0.13 1.01 0.05 0.00 0.21 0.00 0.00 52.86 54.00 1ub7 s ASN 249 Cb 0.07 1.81 0.72 0.00 -0.55 0.00 0.00 41.25 43.30 1ub7 s ASN 249 CO 0.80 -0.14 1.77 0.25 -2.79 0.00 0.00 177.10 176.99 1ub7 h LEU 250 N 7.58 0.74 -0.68 3.21 5.85 -1.43 -0.76 115.31 129.83 1ub7 h LEU 250 Ca -0.17 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1ub7 h LEU 250 Cb 1.11 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1ub7 h LEU 250 CO 0.09 0.26 0.36 0.03 -0.34 0.00 0.00 178.44 178.84 1ub7 h ARG 251 N 0.74 0.95 -0.51 1.25 2.47 -1.86 0.33 114.38 117.75 1ub7 h ARG 251 Ca 0.57 -0.12 -0.10 0.00 -1.26 0.00 0.00 59.98 59.07 1ub7 h ARG 251 Cb 0.88 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 1ub7 h ARG 251 CO -0.39 0.73 -0.07 0.82 0.56 0.00 0.00 179.97 181.62 1ub7 h ILE 252 N 0.93 1.27 -0.29 2.04 2.04 -1.61 0.13 117.51 122.01 1ub7 h ILE 252 Ca 0.24 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1ub7 h ILE 252 Cb 0.06 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1ub7 h ILE 252 CO -0.04 0.42 0.18 0.40 0.00 0.00 0.00 178.15 179.12 1ub7 h ILE 253 N 0.81 1.06 0.39 -0.67 2.04 -0.78 -0.19 117.51 120.18 1ub7 h ILE 253 Ca 0.14 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1ub7 h ILE 253 Cb 0.62 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1ub7 h ILE 253 CO 0.04 0.07 -0.38 -0.78 0.00 0.00 0.00 178.15 177.09 1ub7 h ASP 254 N 0.38 -1.04 -0.09 1.72 3.58 -0.07 0.60 116.42 121.50 1ub7 h ASP 254 Ca 0.11 0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.67 1ub7 h ASP 254 Cb -0.03 0.35 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 1ub7 h ASP 254 CO -0.04 -0.53 0.09 0.00 -2.88 0.00 0.00 179.24 175.88 1ub7 h ALA 255 N -0.40 1.78 0.11 -0.78 0.00 -0.59 -0.44 119.26 118.94 1ub7 h ALA 255 Ca -0.03 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1ub7 h ALA 255 Cb 0.71 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.52 1ub7 h ALA 255 CO -0.06 -0.14 -0.66 0.00 0.00 0.00 0.00 179.25 178.39 1ub7 h ALA 256 N 1.91 -0.07 -0.27 0.00 0.00 -0.12 -2.60 119.26 118.11 1ub7 h ALA 256 Ca 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 54.91 54.36 1ub7 h ALA 256 Cb 0.22 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1ub7 h ALA 256 CO -0.00 0.31 -0.11 -0.09 0.00 0.00 0.00 179.25 179.36 1ub7 h ARG 257 N -0.46 -0.06 -0.25 0.00 2.43 0.16 -2.15 114.38 114.05 1ub7 h ARG 257 Ca -0.11 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1ub7 h ARG 257 Cb 1.51 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 1ub7 h ARG 257 CO 0.12 -0.04 0.05 0.93 -1.51 0.00 0.00 179.97 179.53 1ub7 h GLU 258 N -0.06 0.41 -0.33 0.20 5.08 -1.26 0.07 114.58 118.69 1ub7 h GLU 258 Ca 0.14 -0.11 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1ub7 h GLU 258 Cb 0.27 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ub7 h GLU 258 CO -0.32 0.53 0.55 -0.09 -1.00 0.00 0.00 179.01 178.68 1ub7 h ARG 259 N 0.23 0.00 -0.23 2.33 2.43 -1.01 1.82 114.38 119.94 1ub7 h ARG 259 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1ub7 h ARG 259 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ub7 h ARG 259 CO 0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 1ub7 n LEU 260 N -3.30 2.61 -3.59 3.80 4.77 -0.77 -5.02 117.00 115.50 1ub7 n LEU 260 Ca 0.06 -1.61 -0.24 0.00 -0.03 0.00 0.00 56.01 54.19 1ub7 n LEU 260 Cb 0.69 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1ub7 n LEU 260 CO 0.20 0.60 -0.03 0.61 -1.33 0.00 0.00 177.39 177.45 1ub7 n GLY 261 N 0.63 -1.12 3.33 -0.72 0.00 0.62 -4.99 105.19 102.94 1ub7 n GLY 261 Ca 0.10 0.49 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 1ub7 n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub7 s LEU 262 N -5.66 2.27 0.04 0.99 1.43 -0.52 -5.00 118.68 112.23 1ub7 s LEU 262 Ca 0.27 -0.67 -0.24 0.00 -1.03 0.00 0.00 54.13 52.46 1ub7 s LEU 262 Cb -0.10 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 1ub7 s LEU 262 CO 0.85 0.15 0.73 -2.16 0.23 0.00 0.00 176.35 176.16 1ub7 s PRO 263 N -1.76 4.46 0.58 1.29 0.04 -1.26 -4.69 135.00 133.66 1ub7 s PRO 263 Ca 0.10 1.01 0.36 0.00 0.04 0.00 0.00 61.00 62.51 1ub7 s PRO 263 Cb -0.10 -3.36 1.35 0.00 0.04 0.00 0.00 34.50 32.43 1ub7 s PRO 263 CO 0.04 0.30 1.55 -1.49 0.04 0.00 0.00 177.00 177.44 1ub7 h TRP 264 N 5.66 0.00 0.00 0.56 4.06 -1.99 0.53 115.95 124.76 1ub7 h TRP 264 Ca -0.44 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.49 1ub7 h TRP 264 Cb 1.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1ub7 h TRP 264 CO 0.65 0.00 -0.09 0.93 -3.56 0.00 0.00 178.44 176.37 1ub7 h GLU 265 N 0.00 0.00 -0.64 0.49 3.07 -2.01 -2.11 114.58 113.38 1ub7 h GLU 265 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1ub7 h GLU 265 Cb 2.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.74 1ub7 h GLU 265 CO -0.01 0.09 0.00 0.54 -1.40 0.00 0.00 179.01 178.24 1ub7 n ARG 266 N -3.89 3.80 -4.38 2.33 1.74 0.18 -4.85 116.66 111.59 1ub7 n ARG 266 Ca -0.02 -2.57 -0.24 0.00 -0.77 0.00 0.00 57.85 54.24 1ub7 n ARG 266 Cb 0.19 -1.97 -0.17 0.00 -1.02 0.00 0.00 32.46 29.50 1ub7 n ARG 266 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ub7 s VAL 267 N -2.11 0.99 -0.04 1.55 1.01 -0.79 -0.90 120.40 120.11 1ub7 s VAL 267 Ca 0.45 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1ub7 s VAL 267 Cb 0.32 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ub7 s VAL 267 CO 0.18 0.33 0.79 0.00 0.00 0.00 0.00 175.10 176.40 1ub7 s ALA 268 N 0.90 3.29 -0.03 5.51 0.00 -0.12 -4.94 121.76 126.36 1ub7 s ALA 268 Ca -0.10 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 1ub7 s ALA 268 Cb -0.15 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1ub7 s ALA 268 CO 0.01 -0.13 0.07 0.08 0.00 0.00 0.00 175.76 175.78 1ub7 s VAL 269 N 0.81 -0.03 0.00 0.00 1.01 -1.26 -4.54 120.40 116.39 1ub7 s VAL 269 Ca 0.42 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1ub7 s VAL 269 Cb -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1ub7 s VAL 269 CO 0.21 0.05 0.23 -0.46 0.00 0.00 0.00 175.10 175.13 1ub7 n ASN 270 N 3.68 0.00 0.33 3.32 2.04 -1.26 -4.90 115.26 118.47 1ub7 n ASN 270 Ca -0.20 -1.05 0.20 0.00 -0.44 0.00 0.00 54.58 53.09 1ub7 n ASN 270 Cb 0.55 -0.01 1.10 0.00 -2.53 0.00 0.00 39.78 38.89 1ub7 n ASN 270 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 1ub7 h VAL 271 N 3.63 0.09 0.00 3.53 3.04 -1.85 -0.17 116.25 124.52 1ub7 h VAL 271 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1ub7 h VAL 271 Cb 1.02 0.94 -0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1ub7 h VAL 271 CO 0.00 0.00 -0.12 -2.24 -1.01 0.00 0.00 177.57 174.20 1ub7 h ASP 272 N 0.00 0.00 0.00 3.17 2.03 -1.87 0.01 116.42 119.75 1ub7 h ASP 272 Ca 0.01 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.19 1ub7 h ASP 272 Cb 0.14 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 1ub7 h ASP 272 CO -0.00 0.12 -1.67 0.54 -1.03 0.00 0.00 179.24 177.19 1ub7 n ARG 273 N -3.30 1.40 0.00 4.15 1.74 -0.13 -1.74 116.66 118.79 1ub7 n ARG 273 Ca -0.00 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1ub7 n ARG 273 Cb 0.34 -1.29 -0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1ub7 n ARG 273 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ub7 n TYR 274 N -2.20 0.00 -4.41 -1.55 4.01 -0.89 -3.23 117.16 108.88 1ub7 n TYR 274 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1ub7 n TYR 274 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 1ub7 n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ub7 n GLY 275 N 0.87 -0.59 3.48 2.72 0.00 -0.01 -4.05 105.19 107.61 1ub7 n GLY 275 Ca 0.00 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1ub7 n GLY 275 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ub7 s ASN 276 N -4.00 6.27 -0.39 1.61 3.84 -0.25 -4.60 114.94 117.42 1ub7 s ASN 276 Ca 0.00 -0.68 0.05 0.00 0.21 0.00 0.00 52.86 52.44 1ub7 s ASN 276 Cb 0.00 -2.37 0.64 0.00 -0.55 0.00 0.00 41.25 38.96 1ub7 s ASN 276 CO 0.00 -1.13 1.82 0.35 -2.79 0.00 0.00 177.10 175.35 1ub7 n THR 277 N 5.92 2.97 0.00 -5.21 -2.24 -1.26 -0.54 114.28 113.92 1ub7 n THR 277 Ca -0.02 -1.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 1ub7 n THR 277 Cb 0.46 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1ub7 n THR 277 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ub7 n SER 278 N -0.80 0.00 0.30 3.42 2.88 -1.26 -1.37 113.62 116.78 1ub7 n SER 278 Ca 0.51 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 58.23 1ub7 n SER 278 Cb 1.52 0.00 0.90 0.00 -0.75 0.00 0.00 64.21 65.88 1ub7 n SER 278 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1ub7 h THR 279 N 0.00 0.14 0.00 2.46 1.35 -1.90 -1.94 112.91 113.02 1ub7 h THR 279 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1ub7 h THR 279 Cb 0.00 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1ub7 h THR 279 CO 0.00 0.03 -0.18 0.00 -0.25 0.00 0.00 175.52 175.12 1ub7 n ALA 280 N -2.13 2.55 0.09 6.62 0.00 -0.47 -4.34 120.51 122.82 1ub7 n ALA 280 Ca -0.01 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1ub7 n ALA 280 Cb 0.20 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 1ub7 n ALA 280 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ub7 h SER 281 N 0.00 -1.35 -0.17 0.00 0.87 -1.33 -1.78 113.55 109.78 1ub7 h SER 281 Ca 0.00 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1ub7 h SER 281 Cb 0.66 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1ub7 h SER 281 CO 0.00 -0.49 0.07 0.40 -0.53 0.00 0.00 176.83 176.28 1ub7 h ILE 282 N -0.64 1.15 -0.18 2.23 2.04 -1.78 -2.28 117.51 118.05 1ub7 h ILE 282 Ca 0.03 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1ub7 h ILE 282 Cb 0.69 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1ub7 h ILE 282 CO -0.29 0.14 -0.10 1.55 0.00 0.00 0.00 178.15 179.45 1ub7 h PRO 283 N 0.13 0.28 -0.49 2.37 0.13 -1.80 0.11 132.00 132.72 1ub7 h PRO 283 Ca 0.06 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ub7 h PRO 283 Cb 0.16 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1ub7 h PRO 283 CO -0.01 0.39 0.30 -0.07 -0.23 0.00 0.00 178.00 178.39 1ub7 h LEU 284 N 0.27 0.58 -0.61 1.56 3.38 -1.07 -0.69 115.31 118.73 1ub7 h LEU 284 Ca 0.06 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1ub7 h LEU 284 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ub7 h LEU 284 CO 0.02 0.46 -0.46 0.00 0.09 0.00 0.00 178.44 178.54 1ub7 h ALA 285 N 1.15 0.78 -0.63 1.53 0.00 -0.83 -2.71 119.26 118.55 1ub7 h ALA 285 Ca 0.18 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1ub7 h ALA 285 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ub7 h ALA 285 CO -0.03 0.66 0.30 -0.07 0.00 0.00 0.00 179.25 180.10 1ub7 h LEU 286 N 0.45 0.84 0.04 0.00 3.38 -0.42 -1.97 115.31 117.63 1ub7 h LEU 286 Ca 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ub7 h LEU 286 Cb 0.98 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1ub7 h LEU 286 CO 0.09 0.74 -0.02 0.50 0.09 0.00 0.00 178.44 179.84 1ub7 h LYS 287 N 0.87 -0.05 -0.79 1.13 3.64 -1.00 -1.02 116.57 119.35 1ub7 h LYS 287 Ca 0.22 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 1ub7 h LYS 287 Cb 0.13 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 1ub7 h LYS 287 CO -0.03 -0.00 0.49 0.93 -2.27 0.00 0.00 179.45 178.57 1ub7 h GLU 288 N -0.09 0.89 -0.02 1.90 5.08 -1.34 -1.22 114.58 119.78 1ub7 h GLU 288 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ub7 h GLU 288 Cb 0.08 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ub7 h GLU 288 CO 0.01 0.59 0.01 0.00 -1.00 0.00 0.00 179.01 178.62 1ub7 h ALA 289 N 1.36 0.02 -0.33 3.43 0.00 -1.05 0.45 119.26 123.14 1ub7 h ALA 289 Ca 0.34 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1ub7 h ALA 289 Cb 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1ub7 h ALA 289 CO -0.15 -0.46 -0.08 0.28 0.00 0.00 0.00 179.25 178.85 1ub7 h VAL 290 N -0.02 0.67 -0.15 0.00 2.07 -0.86 -0.51 116.25 117.45 1ub7 h VAL 290 Ca 0.01 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1ub7 h VAL 290 Cb 0.04 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1ub7 h VAL 290 CO -0.00 0.00 -0.21 0.44 0.02 0.00 0.00 177.57 177.82 1ub7 h ASP 291 N 0.01 0.25 -0.10 0.57 5.19 -0.95 -1.41 116.42 119.99 1ub7 h ASP 291 Ca 0.16 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1ub7 h ASP 291 Cb 0.24 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1ub7 h ASP 291 CO -0.34 0.48 0.00 0.00 -3.12 0.00 0.00 179.24 176.26 1ub7 n ALA 292 N -2.48 2.52 -1.70 3.45 0.00 0.15 -4.88 120.51 117.57 1ub7 n ALA 292 Ca -0.01 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.02 1ub7 n ALA 292 Cb 0.33 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 1ub7 n ALA 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 293 N 0.77 1.33 0.56 0.00 0.00 -0.53 -4.87 105.19 102.45 1ub7 n GLY 293 Ca 0.08 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1ub7 n GLY 293 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub7 n ARG 294 N -2.53 1.74 -3.71 1.61 1.74 -0.30 -4.79 116.66 110.43 1ub7 n ARG 294 Ca -0.19 -1.11 -0.18 0.00 -0.77 0.00 0.00 57.85 55.61 1ub7 n ARG 294 Cb 0.61 -1.42 -0.17 0.00 -1.02 0.00 0.00 32.46 30.46 1ub7 n ARG 294 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ub7 s ILE 295 N -1.84 -0.11 0.30 0.55 -1.09 -1.25 -4.86 121.20 112.90 1ub7 s ILE 295 Ca 0.34 0.34 0.09 0.00 -2.23 0.00 0.00 60.65 59.19 1ub7 s ILE 295 Cb 0.19 -0.16 -0.06 0.00 -1.58 0.00 0.00 42.46 40.85 1ub7 s ILE 295 CO 0.28 0.14 -0.12 -0.13 -1.23 0.00 0.00 174.94 173.88 1ub7 s ARG 296 N 1.78 1.67 0.28 2.79 0.52 -1.26 -4.78 118.95 119.96 1ub7 s ARG 296 Ca -0.01 -1.82 -0.30 0.00 -0.52 0.00 0.00 55.73 53.08 1ub7 s ARG 296 Cb -0.12 -1.54 -0.13 0.00 0.52 0.00 0.00 34.95 33.68 1ub7 s ARG 296 CO -0.04 0.18 1.39 -1.91 0.02 0.00 0.00 175.30 174.94 1ub7 n GLU 297 N -0.66 2.15 0.00 3.54 2.13 -1.26 -1.47 120.64 125.07 1ub7 n GLU 297 Ca -0.05 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1ub7 n GLU 297 Cb 0.62 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.93 1ub7 n GLU 297 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ub7 n GLY 298 N 1.67 3.18 3.78 8.31 0.00 0.69 -4.96 105.19 117.86 1ub7 n GLY 298 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1ub7 n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ub7 s ASP 299 N -1.10 6.92 -0.31 1.61 1.01 -0.54 -4.72 116.67 119.55 1ub7 s ASP 299 Ca 0.00 2.05 -0.16 0.00 0.71 0.00 0.00 52.55 55.15 1ub7 s ASP 299 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1ub7 s ASP 299 CO 0.00 -0.38 0.42 -1.00 0.21 0.00 0.00 175.17 174.43 1ub7 s HIS 300 N -1.56 3.22 -0.11 4.23 3.76 -1.26 -0.17 115.29 123.39 1ub7 s HIS 300 Ca 0.54 0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 55.71 1ub7 s HIS 300 Cb -0.23 -2.71 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 1ub7 s HIS 300 CO 0.29 -0.36 -0.03 0.08 -0.85 0.00 0.00 174.74 173.88 1ub7 s VAL 301 N 2.17 4.05 -0.15 -0.90 1.01 0.13 -1.06 120.40 125.66 1ub7 s VAL 301 Ca 0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1ub7 s VAL 301 Cb -0.16 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1ub7 s VAL 301 CO 0.11 0.56 -0.04 -0.22 0.00 0.00 0.00 175.10 175.51 1ub7 s LEU 302 N -0.37 3.24 -0.03 3.92 0.20 -0.58 -0.69 118.68 124.37 1ub7 s LEU 302 Ca 0.06 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.79 1ub7 s LEU 302 Cb -0.12 -1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1ub7 s LEU 302 CO 0.02 0.17 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.38 1ub7 s LEU 303 N 0.34 2.93 -0.09 -0.68 1.43 0.63 -0.49 118.68 122.75 1ub7 s LEU 303 Ca -0.04 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.71 1ub7 s LEU 303 Cb -0.14 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1ub7 s LEU 303 CO 0.03 0.33 0.43 0.54 0.23 0.00 0.00 176.35 177.91 1ub7 s VAL 304 N -0.84 0.02 0.09 -1.59 0.11 -1.12 -0.01 120.40 117.06 1ub7 s VAL 304 Ca 0.13 -0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 58.81 1ub7 s VAL 304 Cb -0.11 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1ub7 s VAL 304 CO 0.03 -0.10 0.45 -0.55 -3.33 0.00 0.00 175.10 171.59 1ub7 s SER 305 N -0.62 -0.32 0.06 3.54 0.15 0.79 -1.18 113.70 116.11 1ub7 s SER 305 Ca -0.07 -0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 1ub7 s SER 305 Cb -0.03 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1ub7 s SER 305 CO 0.04 -0.78 0.02 0.72 1.20 0.00 0.00 173.24 174.43 1ub7 s PHE 306 N -3.15 0.43 -1.76 3.44 -0.71 -1.26 -1.10 117.98 113.86 1ub7 s PHE 306 Ca -0.01 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 54.92 1ub7 s PHE 306 Cb 0.00 -0.31 0.00 0.00 -1.21 0.00 0.00 43.02 41.50 1ub7 s PHE 306 CO -0.07 -0.42 0.00 0.41 -1.34 0.00 0.00 175.22 173.80 1ub7 n GLY 307 N 0.07 -0.56 3.76 1.99 0.00 0.26 -4.34 105.19 106.38 1ub7 n GLY 307 Ca -0.14 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 1ub7 n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub7 s ALA 308 N -1.00 3.09 0.00 4.61 0.00 -1.26 -1.69 121.76 125.51 1ub7 s ALA 308 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1ub7 s ALA 308 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1ub7 s ALA 308 CO 0.00 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 174.98 1ub7 n GLY 309 N 0.63 0.86 3.78 0.00 0.00 -1.26 -3.03 105.19 106.17 1ub7 n GLY 309 Ca 0.07 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1ub7 n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub7 s LEU 310 N 0.00 3.46 0.03 0.99 1.43 -0.06 -3.95 118.68 120.59 1ub7 s LEU 310 Ca 0.00 2.00 -0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1ub7 s LEU 310 Cb 0.00 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 1ub7 s LEU 310 CO 0.00 -1.49 -0.00 -0.89 0.23 0.00 0.00 176.35 174.19 1ub7 s THR 311 N -2.27 0.15 0.03 5.49 2.01 -0.68 -0.50 115.64 119.86 1ub7 s THR 311 Ca 0.67 -1.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 1ub7 s THR 311 Cb -0.20 -0.74 0.05 0.00 0.01 0.00 0.00 72.50 71.62 1ub7 s THR 311 CO 0.39 -0.66 0.50 -1.66 -0.69 0.00 0.00 174.62 172.50 1ub7 s TRP 312 N -2.37 -0.40 0.02 4.92 -2.14 -0.72 -0.57 118.94 117.68 1ub7 s TRP 312 Ca -0.07 0.48 -0.28 0.00 2.66 0.00 0.00 56.10 58.89 1ub7 s TRP 312 Cb -0.03 0.31 0.07 0.00 -3.10 0.00 0.00 33.47 30.72 1ub7 s TRP 312 CO -0.04 -0.61 0.68 0.00 -2.66 0.00 0.00 176.95 174.32 1ub7 s ALA 313 N -2.25 -1.72 0.04 2.67 0.00 -0.26 -1.20 121.76 119.03 1ub7 s ALA 313 Ca -0.06 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 1ub7 s ALA 313 Cb -0.01 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.43 1ub7 s ALA 313 CO -0.00 -0.52 0.40 0.00 0.00 0.00 0.00 175.76 175.64 1ub7 s ALA 314 N -2.16 -0.98 -0.06 0.00 0.00 0.75 -0.15 121.76 119.16 1ub7 s ALA 314 Ca -0.06 0.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 1ub7 s ALA 314 Cb -0.00 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.50 1ub7 s ALA 314 CO 0.01 -0.45 0.46 0.00 0.00 0.00 0.00 175.76 175.77 1ub7 s ALA 315 N -2.45 -1.17 -0.17 0.00 0.00 0.98 -0.58 121.76 118.37 1ub7 s ALA 315 Ca -0.05 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 1ub7 s ALA 315 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1ub7 s ALA 315 CO -0.02 -0.29 -0.09 0.08 0.00 0.00 0.00 175.76 175.44 1ub7 s VAL 316 N -0.98 3.19 -0.12 0.00 1.01 -1.01 -0.27 120.40 122.21 1ub7 s VAL 316 Ca -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1ub7 s VAL 316 Cb -0.03 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1ub7 s VAL 316 CO 0.05 0.48 -0.12 -0.22 0.00 0.00 0.00 175.10 175.30 1ub7 s LEU 317 N 0.87 1.51 -0.56 3.92 2.96 0.14 -0.51 118.68 127.02 1ub7 s LEU 317 Ca -0.02 -0.40 -0.25 0.00 -0.22 0.00 0.00 54.13 53.24 1ub7 s LEU 317 Cb -0.15 -1.02 0.04 0.00 0.50 0.00 0.00 46.19 45.56 1ub7 s LEU 317 CO 0.00 -0.06 1.01 -0.89 -1.32 0.00 0.00 176.35 175.10 1ub7 s THR 318 N 1.40 4.29 0.53 3.68 2.01 -0.50 -0.69 115.64 126.36 1ub7 s THR 318 Ca 0.01 0.46 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 1ub7 s THR 318 Cb -0.13 -4.59 -0.07 0.00 0.01 0.00 0.00 72.50 67.72 1ub7 s THR 318 CO -0.07 -1.17 1.05 1.87 -0.69 0.00 0.00 174.62 175.61 1ub7 n TRP 319 N 7.72 1.22 -4.01 4.92 -0.00 0.76 -1.02 117.44 127.02 1ub7 n TRP 319 Ca 0.04 0.47 0.00 0.00 -0.00 0.00 0.00 57.50 58.01 1ub7 n TRP 319 Cb 0.48 -2.21 0.00 0.00 -0.00 0.00 0.00 31.31 29.58 1ub7 n TRP 319 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1ub7 n GLY 320 N 1.15 -0.28 1.74 5.87 0.00 -1.26 -0.22 105.19 112.18 1ub7 n GLY 320 Ca 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1ub7 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub7 n GLY 321 N 0.00 0.75 0.14 -0.02 0.00 -1.26 -4.35 105.19 100.45 1ub7 n GLY 321 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1ub7 n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32