#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub1 n PRO 73 N 0.00 -1.18 -3.43 0.00 -0.04 -1.26 -5.10 135.00 123.99 1ub1 n PRO 73 Ca 0.00 -0.76 0.02 0.00 -0.04 0.00 0.00 63.50 62.72 1ub1 n PRO 73 Cb 0.00 -0.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 1ub1 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ub1 s ALA 74 N -3.50 -2.86 -0.08 0.55 0.00 -1.26 -5.16 121.76 109.45 1ub1 s ALA 74 Ca 0.29 1.95 -0.01 0.00 0.00 0.00 0.00 51.96 54.19 1ub1 s ALA 74 Cb -0.02 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 21.05 1ub1 s ALA 74 CO 0.21 -0.68 -0.03 0.08 0.00 0.00 0.00 175.76 175.35 1ub1 s VAL 75 N 1.70 0.60 1.01 0.00 1.01 -1.26 -5.14 120.40 118.32 1ub1 s VAL 75 Ca -0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1ub1 s VAL 75 Cb -0.02 -0.70 0.20 0.00 0.00 0.00 0.00 36.38 35.85 1ub1 s VAL 75 CO -0.14 0.29 1.18 -2.16 0.00 0.00 0.00 175.10 174.28 1ub1 s PRO 76 N 1.80 0.30 0.09 2.72 0.04 -1.26 -5.10 135.00 133.59 1ub1 s PRO 76 Ca 0.04 -0.02 -0.13 0.00 0.04 0.00 0.00 61.00 60.92 1ub1 s PRO 76 Cb -0.12 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1ub1 s PRO 76 CO -0.06 -2.71 0.31 -2.00 0.04 0.00 0.00 177.00 172.59 1ub1 s GLU 77 N -5.50 0.92 0.15 4.56 2.56 -1.26 -5.18 118.70 114.96 1ub1 s GLU 77 Ca 0.69 -0.70 -0.24 0.00 0.00 0.00 0.00 54.97 54.72 1ub1 s GLU 77 Cb -0.10 0.40 0.08 0.00 2.00 0.00 0.00 34.13 36.50 1ub1 s GLU 77 CO 0.54 -0.32 1.05 0.00 -0.56 0.00 0.00 175.26 175.97 1ub1 s ALA 78 N -3.38 -1.70 0.23 6.30 0.00 -1.26 -5.19 121.76 116.75 1ub1 s ALA 78 Ca 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 1ub1 s ALA 78 Cb 0.02 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1ub1 s ALA 78 CO -0.09 -1.06 0.39 -1.54 0.00 0.00 0.00 175.76 173.46 1ub1 s SER 79 N -3.30 -0.03 0.28 0.00 1.04 -1.26 -5.18 113.70 105.24 1ub1 s SER 79 Ca 0.20 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.64 1ub1 s SER 79 Cb -0.02 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1ub1 s SER 79 CO 0.04 -1.05 0.11 0.00 0.98 0.00 0.00 173.24 173.32 1ub1 s ALA 80 N -4.04 1.85 -0.32 5.32 0.00 -1.26 -5.13 121.76 118.18 1ub1 s ALA 80 Ca 0.25 -1.82 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 1ub1 s ALA 80 Cb 0.01 1.05 0.19 0.00 0.00 0.00 0.00 23.12 24.37 1ub1 s ALA 80 CO 0.08 -0.46 1.03 0.45 0.00 0.00 0.00 175.76 176.86 1ub1 s SER 81 N -3.34 -0.40 0.43 0.00 0.15 -1.26 -5.16 113.70 104.12 1ub1 s SER 81 Ca 0.37 -0.14 -0.23 0.00 0.70 0.00 0.00 55.95 56.65 1ub1 s SER 81 Cb 0.07 0.69 -0.09 0.00 -1.71 0.00 0.00 66.02 64.98 1ub1 s SER 81 CO 0.15 -0.05 1.05 -2.16 1.20 0.00 0.00 173.24 173.42 1ub1 s PRO 82 N 2.20 4.02 -0.33 5.44 0.04 -1.26 -5.02 135.00 140.08 1ub1 s PRO 82 Ca 0.18 1.46 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 1ub1 s PRO 82 Cb 0.02 -2.37 0.19 0.00 0.04 0.00 0.00 34.50 32.38 1ub1 s PRO 82 CO -0.16 -0.26 0.97 0.15 0.04 0.00 0.00 177.00 177.73 1ub1 s LYS 83 N -2.79 0.28 -0.64 4.56 -0.14 -1.26 -5.11 119.74 114.65 1ub1 s LYS 83 Ca 0.62 -0.05 -0.21 0.00 -1.36 0.00 0.00 55.97 54.97 1ub1 s LYS 83 Cb -0.20 0.05 0.09 0.00 -1.68 0.00 0.00 37.83 36.08 1ub1 s LYS 83 CO 0.25 -0.43 0.87 -0.65 -0.76 0.00 0.00 175.35 174.63 1ub1 s GLN 84 N 2.10 3.10 0.27 1.68 1.11 -1.26 -4.90 119.66 121.77 1ub1 s GLN 84 Ca 0.16 -1.06 0.03 0.00 0.01 0.00 0.00 55.36 54.51 1ub1 s GLN 84 Cb 0.01 -4.27 0.70 0.00 -1.01 0.00 0.00 33.01 28.45 1ub1 s GLN 84 CO -0.15 -1.71 1.36 2.89 0.01 0.00 0.00 175.29 177.69 1ub1 n ARG 85 N 7.13 -0.07 -2.35 2.91 1.85 -1.26 -4.81 116.66 120.07 1ub1 n ARG 85 Ca -0.05 1.29 -0.09 0.00 -1.00 0.00 0.00 57.85 58.00 1ub1 n ARG 85 Cb 0.44 -2.07 0.01 0.00 -1.05 0.00 0.00 32.46 29.79 1ub1 n ARG 85 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1ub1 n ARG 86 N -5.23 -0.53 -3.66 2.89 0.63 -1.26 -4.91 116.66 104.60 1ub1 n ARG 86 Ca 0.21 0.63 -0.27 0.00 -0.92 0.00 0.00 57.85 57.50 1ub1 n ARG 86 Cb 0.71 -0.84 -0.11 0.00 0.45 0.00 0.00 32.46 32.66 1ub1 n ARG 86 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ub1 n SER 87 N 0.98 1.42 -4.73 6.15 2.88 -1.26 -5.11 113.62 113.95 1ub1 n SER 87 Ca -0.02 -2.83 -0.37 0.00 -1.33 0.00 0.00 58.87 54.32 1ub1 n SER 87 Cb 0.36 -0.66 0.07 0.00 -0.75 0.00 0.00 64.21 63.22 1ub1 n SER 87 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ub1 s ILE 88 N -0.79 2.00 0.00 2.46 -1.09 -1.26 -5.02 121.20 117.50 1ub1 s ILE 88 Ca 0.29 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 1ub1 s ILE 88 Cb 0.00 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1ub1 s ILE 88 CO -0.18 -0.00 0.00 0.00 -1.23 0.00 0.00 174.94 173.53 1ub1 n ILE 89 N -1.79 0.00 -3.22 2.92 0.13 -1.26 -5.16 119.36 110.97 1ub1 n ILE 89 Ca 0.15 0.00 0.04 0.00 -1.10 0.00 0.00 62.75 61.84 1ub1 n ILE 89 Cb 0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.26 1ub1 n ILE 89 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1ub1 s ARG 90 N 2.12 0.42 0.26 9.51 3.52 -1.26 -5.15 118.95 128.37 1ub1 s ARG 90 Ca 0.00 0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 56.11 1ub1 s ARG 90 Cb 0.00 0.46 -0.09 0.00 -1.56 0.00 0.00 34.95 33.76 1ub1 s ARG 90 CO 0.00 -0.39 1.20 0.34 -0.81 0.00 0.00 175.30 175.64 1ub1 s ASP 91 N 2.85 7.06 0.02 -2.12 3.68 -1.26 -5.03 116.67 121.87 1ub1 s ASP 91 Ca 0.09 2.38 -0.04 0.00 2.13 0.00 0.00 52.55 57.11 1ub1 s ASP 91 Cb -0.12 -2.63 -0.01 0.00 -1.45 0.00 0.00 42.92 38.71 1ub1 s ASP 91 CO -0.17 -0.34 0.05 0.00 0.13 0.00 0.00 175.17 174.84 1ub1 s ARG 92 N -1.07 0.46 0.12 4.34 1.70 -1.26 -5.17 118.95 118.07 1ub1 s ARG 92 Ca 0.49 -0.66 0.06 0.00 -0.47 0.00 0.00 55.73 55.15 1ub1 s ARG 92 Cb -0.35 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.17 1ub1 s ARG 92 CO 0.42 -0.10 -0.14 0.20 -1.08 0.00 0.00 175.30 174.61 1ub1 s GLY 93 N -1.77 1.05 -0.26 3.88 0.00 -1.26 -5.11 107.32 103.84 1ub1 s GLY 93 Ca -0.10 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.05 1ub1 s GLY 93 CO -0.02 -1.33 1.33 2.56 0.00 0.00 0.00 173.10 175.64 1ub1 s PRO 94 N -2.66 3.97 0.29 2.90 0.04 -1.26 -4.95 135.00 133.33 1ub1 s PRO 94 Ca 0.08 1.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 1ub1 s PRO 94 Cb -0.05 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.64 1ub1 s PRO 94 CO 0.03 -1.05 0.50 -1.33 0.04 0.00 0.00 177.00 175.18 1ub1 n MET 95 N 7.20 0.72 0.16 4.56 2.81 -1.26 -5.01 117.12 126.30 1ub1 n MET 95 Ca 0.15 -2.01 0.19 0.00 -1.81 0.00 0.00 57.70 54.22 1ub1 n MET 95 Cb 0.46 2.17 0.78 0.00 -0.71 0.00 0.00 33.22 35.92 1ub1 n MET 95 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1ub1 h TYR 96 N 1.80 0.00 -3.52 2.03 0.05 -1.93 -3.41 116.97 112.00 1ub1 h TYR 96 Ca -0.24 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.06 1ub1 h TYR 96 Cb 0.96 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.74 1ub1 h TYR 96 CO 0.00 0.00 0.11 0.16 -1.05 0.00 0.00 178.16 177.38 1ub1 s ASP 97 N -5.29 6.07 0.24 3.88 3.84 -1.26 -4.33 116.67 119.83 1ub1 s ASP 97 Ca -0.04 0.82 0.08 0.00 -0.00 0.00 0.00 52.55 53.41 1ub1 s ASP 97 Cb 0.14 -2.07 -0.04 0.00 -1.38 0.00 0.00 42.92 39.58 1ub1 s ASP 97 CO 0.51 -0.70 0.08 -0.62 -0.00 0.00 0.00 175.17 174.44 1ub1 s ASP 98 N -4.16 4.97 0.00 2.11 3.68 -1.26 -4.90 116.67 117.11 1ub1 s ASP 98 Ca 0.49 -0.45 0.23 0.00 2.13 0.00 0.00 52.55 54.95 1ub1 s ASP 98 Cb -0.10 -1.10 1.29 0.00 -1.45 0.00 0.00 42.92 41.56 1ub1 s ASP 98 CO 0.44 0.00 1.77 -0.81 0.13 0.00 0.00 175.17 176.70 1ub1 n PRO 99 N -0.88 0.54 0.00 4.34 -0.04 -1.26 -4.64 135.00 133.06 1ub1 n PRO 99 Ca -0.07 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ub1 n PRO 99 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1ub1 n PRO 99 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ub1 n THR 100 N -1.14 0.00 -0.78 0.52 -2.24 -1.26 -4.98 114.28 104.40 1ub1 n THR 100 Ca 0.14 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.61 1ub1 n THR 100 Cb 0.13 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.52 1ub1 n THR 100 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ub1 s LEU 101 N 0.00 2.90 -0.07 3.22 2.01 -1.25 -4.96 118.68 120.52 1ub1 s LEU 101 Ca 0.00 2.20 -0.26 0.00 0.01 0.00 0.00 54.13 56.08 1ub1 s LEU 101 Cb 0.00 -4.57 -0.23 0.00 0.01 0.00 0.00 46.19 41.40 1ub1 s LEU 101 CO 0.00 -3.00 1.03 1.55 1.01 0.00 0.00 176.35 176.94 1ub1 h PRO 102 N -1.70 0.06 -1.40 1.29 0.13 -1.89 -3.42 132.00 125.07 1ub1 h PRO 102 Ca -0.43 -0.06 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 1ub1 h PRO 102 Cb 1.27 0.02 -0.31 0.00 0.13 0.00 0.00 31.00 32.11 1ub1 h PRO 102 CO 0.43 0.80 -0.90 -0.85 -0.23 0.00 0.00 178.00 177.24 1ub1 n GLU 103 N -4.66 0.70 0.19 0.86 0.28 -1.26 -4.93 120.64 111.81 1ub1 n GLU 103 Ca -0.09 -2.75 0.00 0.00 -0.16 0.00 0.00 57.16 54.16 1ub1 n GLU 103 Cb 0.41 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.96 1ub1 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ub1 n GLY 104 N 1.60 -1.41 3.08 -1.84 0.00 -1.26 -5.09 105.19 100.27 1ub1 n GLY 104 Ca 0.18 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 1ub1 n GLY 104 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ub1 s TRP 105 N -2.00 2.80 0.24 1.61 -0.00 -1.26 -4.29 118.94 116.04 1ub1 s TRP 105 Ca 0.00 -1.78 -0.21 0.00 -0.00 0.00 0.00 56.10 54.11 1ub1 s TRP 105 Cb 0.00 -1.85 0.03 0.00 -0.00 0.00 0.00 33.47 31.65 1ub1 s TRP 105 CO 0.00 -0.81 0.67 0.99 -0.00 0.00 0.00 176.95 177.80 1ub1 s THR 106 N 1.27 0.00 -0.15 5.86 2.01 -0.76 -3.92 115.64 119.96 1ub1 s THR 106 Ca 0.00 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 1ub1 s THR 106 Cb -0.15 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1ub1 s THR 106 CO -0.10 -0.01 0.33 -0.60 -0.69 0.00 0.00 174.62 173.55 1ub1 s ARG 107 N -3.88 4.27 -0.14 4.92 3.52 -1.25 -0.30 118.95 126.10 1ub1 s ARG 107 Ca 0.09 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 1ub1 s ARG 107 Cb -0.04 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1ub1 s ARG 107 CO 0.02 0.22 -0.17 0.15 -0.81 0.00 0.00 175.30 174.71 1ub1 s LYS 108 N 0.50 3.21 -0.12 5.12 3.01 0.88 -4.70 119.74 127.64 1ub1 s LYS 108 Ca 0.18 -0.77 -0.07 0.00 -1.01 0.00 0.00 55.97 54.31 1ub1 s LYS 108 Cb -0.13 -2.54 -0.04 0.00 -1.01 0.00 0.00 37.83 34.10 1ub1 s LYS 108 CO 0.05 0.10 0.13 -1.17 0.51 0.00 0.00 175.35 174.97 1ub1 s LEU 109 N 0.59 4.31 -0.13 3.17 0.20 -1.25 0.39 118.68 125.96 1ub1 s LEU 109 Ca -0.10 0.44 -0.12 0.00 0.69 0.00 0.00 54.13 55.04 1ub1 s LEU 109 Cb -0.16 -2.05 0.03 0.00 -0.43 0.00 0.00 46.19 43.59 1ub1 s LEU 109 CO 0.03 0.40 0.34 -1.59 -0.29 0.00 0.00 176.35 175.25 1ub1 s LYS 110 N -1.00 0.40 -0.12 1.98 -2.85 0.46 -4.91 119.74 113.69 1ub1 s LYS 110 Ca 0.15 0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 55.53 1ub1 s LYS 110 Cb -0.12 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 1ub1 s LYS 110 CO 0.04 -0.05 0.11 -1.14 0.10 0.00 0.00 175.35 174.41 1ub1 s GLN 111 N 0.21 3.46 0.00 1.78 -0.44 -1.26 0.25 119.66 123.65 1ub1 s GLN 111 Ca -0.00 -0.19 0.00 0.00 -2.50 0.00 0.00 55.36 52.67 1ub1 s GLN 111 Cb -0.03 -3.15 0.00 0.00 -1.64 0.00 0.00 33.01 28.20 1ub1 s GLN 111 CO 0.00 0.71 0.00 -2.13 0.50 0.00 0.00 175.29 174.37 1ub1 n ARG 112 N 2.20 0.00 0.00 1.67 3.00 -1.26 -4.95 116.66 117.32 1ub1 n ARG 112 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1ub1 n ARG 112 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 1ub1 n ARG 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1ub1 n LYS 113 N -1.73 0.00 -1.71 -0.14 0.00 -1.26 -4.95 118.16 108.37 1ub1 n LYS 113 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 1ub1 n LYS 113 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.09 1ub1 n LYS 113 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ub1 n SER 114 N 0.00 4.56 0.00 3.14 3.41 -1.26 -5.07 113.62 118.40 1ub1 n SER 114 Ca 0.00 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 1ub1 n SER 114 Cb 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1ub1 n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ub1 n GLY 115 N -0.80 0.51 5.11 5.00 0.00 -1.26 -4.48 105.19 109.28 1ub1 n GLY 115 Ca 0.41 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ub1 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub1 n ARG 116 N 0.00 0.00 -0.10 1.61 3.00 -1.26 -0.70 116.66 119.21 1ub1 n ARG 116 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.60 1ub1 n ARG 116 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 1ub1 n ARG 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ub1 n SER 117 N 2.75 1.97 -1.25 0.55 2.88 -1.26 -5.09 113.62 114.15 1ub1 n SER 117 Ca 0.00 0.24 0.14 0.00 -1.33 0.00 0.00 58.87 57.92 1ub1 n SER 117 Cb 0.00 -0.79 -0.07 0.00 -0.75 0.00 0.00 64.21 62.60 1ub1 n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ub1 n ALA 118 N -3.59 -3.28 0.00 -1.46 0.00 0.13 -4.88 120.51 107.43 1ub1 n ALA 118 Ca -0.43 0.69 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1ub1 n ALA 118 Cb 0.88 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1ub1 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub1 n GLY 119 N -4.00 3.09 3.92 0.00 0.00 -1.26 -5.02 105.19 101.92 1ub1 n GLY 119 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1ub1 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub1 s LYS 120 N -0.67 3.34 0.00 1.61 1.02 -1.26 -5.09 119.74 118.69 1ub1 s LYS 120 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1ub1 s LYS 120 Cb 0.00 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1ub1 s LYS 120 CO 0.00 0.52 0.00 0.66 -0.92 0.00 0.00 175.35 175.61 1ub1 n TYR 121 N -0.47 -0.21 -3.82 3.18 4.01 -1.26 -4.58 117.16 114.02 1ub1 n TYR 121 Ca -0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 1ub1 n TYR 121 Cb 0.54 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 1ub1 n TYR 121 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ub1 s ASP 122 N -1.51 -0.03 0.06 7.72 -1.08 0.69 -4.74 116.67 117.77 1ub1 s ASP 122 Ca 0.00 -0.25 0.08 0.00 -0.52 0.00 0.00 52.55 51.86 1ub1 s ASP 122 Cb 0.00 0.29 -0.03 0.00 -1.46 0.00 0.00 42.92 41.72 1ub1 s ASP 122 CO 0.00 -0.53 -0.21 -0.69 0.52 0.00 0.00 175.17 174.26 1ub1 s VAL 123 N -2.22 2.57 -0.08 1.11 1.01 -1.26 0.17 120.40 121.70 1ub1 s VAL 123 Ca -0.08 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1ub1 s VAL 123 Cb -0.02 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1ub1 s VAL 123 CO -0.02 0.30 -0.02 -0.47 0.00 0.00 0.00 175.10 174.89 1ub1 s TYR 124 N -0.93 0.90 -0.38 5.22 6.14 1.28 -4.51 117.35 125.08 1ub1 s TYR 124 Ca 0.14 -0.33 -0.16 0.00 0.64 0.00 0.00 57.07 57.36 1ub1 s TYR 124 Cb -0.10 -0.91 0.01 0.00 0.42 0.00 0.00 41.96 41.37 1ub1 s TYR 124 CO 0.05 -0.37 0.40 -0.51 0.64 0.00 0.00 175.55 175.76 1ub1 s LEU 125 N 1.82 4.66 -0.24 6.97 1.43 0.08 0.30 118.68 133.70 1ub1 s LEU 125 Ca 0.04 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 1ub1 s LEU 125 Cb -0.12 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1ub1 s LEU 125 CO -0.06 -0.46 0.29 -0.63 0.23 0.00 0.00 176.35 175.73 1ub1 s ILE 126 N 2.07 5.26 1.05 -0.59 1.01 0.59 0.21 121.20 130.81 1ub1 s ILE 126 Ca 0.12 0.45 -0.17 0.00 0.00 0.00 0.00 60.65 61.05 1ub1 s ILE 126 Cb -0.17 -3.63 0.23 0.00 0.01 0.00 0.00 42.46 38.90 1ub1 s ILE 126 CO 0.13 0.26 1.21 0.54 0.00 0.00 0.00 174.94 177.07 1ub1 s ASN 127 N 1.24 2.26 -0.30 3.58 4.22 0.11 -1.83 114.94 124.22 1ub1 s ASN 127 Ca 0.13 0.52 -0.05 0.00 -2.14 0.00 0.00 52.86 51.32 1ub1 s ASN 127 Cb -0.15 -0.73 -0.17 0.00 1.28 0.00 0.00 41.25 41.49 1ub1 s ASN 127 CO 0.07 -3.29 2.75 -0.81 -2.04 0.00 0.00 177.10 173.79 1ub1 n PRO 128 N -4.18 1.82 0.00 3.55 -0.04 -1.26 -2.83 135.00 132.06 1ub1 n PRO 128 Ca 0.13 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1ub1 n PRO 128 Cb 0.59 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1ub1 n PRO 128 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ub1 n GLN 129 N 2.95 0.00 0.00 0.54 6.02 -1.26 -4.97 117.38 120.66 1ub1 n GLN 129 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1ub1 n GLN 129 Cb 0.56 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.72 1ub1 n GLN 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ub1 n GLY 130 N -0.39 0.74 3.73 1.08 0.00 -1.13 -5.10 105.19 104.13 1ub1 n GLY 130 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ub1 n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ub1 s LYS 131 N 0.00 4.42 0.02 1.61 2.47 -1.26 -4.80 119.74 122.20 1ub1 s LYS 131 Ca 0.00 1.96 0.03 0.00 -1.56 0.00 0.00 55.97 56.40 1ub1 s LYS 131 Cb 0.00 -3.23 -0.04 0.00 -1.46 0.00 0.00 37.83 33.10 1ub1 s LYS 131 CO 0.00 -0.21 -0.01 0.00 0.16 0.00 0.00 175.35 175.28 1ub1 s ALA 132 N 0.24 3.23 -0.17 3.13 0.00 -1.26 0.07 121.76 127.00 1ub1 s ALA 132 Ca 0.56 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1ub1 s ALA 132 Cb -0.34 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 1ub1 s ALA 132 CO 0.36 0.65 -0.06 -0.06 0.00 0.00 0.00 175.76 176.65 1ub1 s PHE 133 N -1.12 2.95 -2.17 0.00 0.08 0.57 -4.84 117.98 113.45 1ub1 s PHE 133 Ca 0.20 -0.56 0.20 0.00 0.12 0.00 0.00 56.93 56.90 1ub1 s PHE 133 Cb -0.11 -1.97 0.07 0.00 -0.57 0.00 0.00 43.02 40.44 1ub1 s PHE 133 CO 0.12 -0.22 1.07 0.54 -0.10 0.00 0.00 175.22 176.62 1ub1 n ARG 134 N 3.88 1.64 -3.91 0.44 1.74 -1.26 -0.74 116.66 118.45 1ub1 n ARG 134 Ca -0.18 -1.29 -0.11 0.00 -0.77 0.00 0.00 57.85 55.50 1ub1 n ARG 134 Cb 0.52 -1.40 -0.11 0.00 -1.02 0.00 0.00 32.46 30.45 1ub1 n ARG 134 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ub1 s SER 135 N -2.02 0.09 0.41 0.55 0.15 -1.26 -4.93 113.70 106.69 1ub1 s SER 135 Ca 0.20 -0.24 0.12 0.00 0.70 0.00 0.00 55.95 56.74 1ub1 s SER 135 Cb 0.17 0.14 0.87 0.00 -1.71 0.00 0.00 66.02 65.49 1ub1 s SER 135 CO 0.40 -0.24 1.93 0.50 1.20 0.00 0.00 173.24 177.03 1ub1 h LYS 136 N 4.96 0.08 -0.34 5.44 3.64 -1.92 -2.35 116.57 126.08 1ub1 h LYS 136 Ca -0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1ub1 h LYS 136 Cb 1.20 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1ub1 h LYS 136 CO 0.43 0.28 0.22 -0.24 -2.27 0.00 0.00 179.45 177.87 1ub1 h VAL 137 N 0.07 1.09 0.00 2.00 3.04 -2.01 -0.43 116.25 120.01 1ub1 h VAL 137 Ca 0.01 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1ub1 h VAL 137 Cb 0.41 0.59 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1ub1 h VAL 137 CO 0.03 0.08 -0.00 -0.08 -1.01 0.00 0.00 177.57 176.59 1ub1 h GLU 138 N 0.46 0.00 -0.14 4.17 4.81 -1.84 -1.69 114.58 120.34 1ub1 h GLU 138 Ca 0.12 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1ub1 h GLU 138 Cb -0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ub1 h GLU 138 CO -0.03 0.00 0.07 1.25 -0.73 0.00 0.00 179.01 179.57 1ub1 h LEU 139 N 0.00 0.10 -0.35 1.64 5.85 -0.92 -2.40 115.31 119.23 1ub1 h LEU 139 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ub1 h LEU 139 Cb 0.02 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ub1 h LEU 139 CO 0.00 0.08 0.14 -0.29 -0.34 0.00 0.00 178.44 178.03 1ub1 h ILE 140 N 0.14 1.18 -0.93 4.05 2.10 -1.27 2.58 117.51 125.38 1ub1 h ILE 140 Ca 0.05 -0.55 0.18 0.00 1.08 0.00 0.00 64.86 65.62 1ub1 h ILE 140 Cb 0.01 0.90 -0.17 0.00 -1.09 0.00 0.00 36.82 36.47 1ub1 h ILE 140 CO -0.04 0.20 -0.25 0.00 -1.08 0.00 0.00 178.15 176.97 1ub1 h ALA 141 N 0.99 0.54 0.14 0.18 0.00 -1.16 4.56 119.26 124.51 1ub1 h ALA 141 Ca 0.12 0.35 -0.36 0.00 0.00 0.00 0.00 54.91 55.02 1ub1 h ALA 141 Cb 0.17 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ub1 h ALA 141 CO -0.01 -0.42 -1.91 1.88 0.00 0.00 0.00 179.25 178.79 1ub1 h TYR 142 N -0.01 0.53 0.00 0.00 -1.99 -1.13 -3.34 116.97 111.03 1ub1 h TYR 142 Ca 0.43 -0.39 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 1ub1 h TYR 142 Cb 0.67 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.37 1ub1 h TYR 142 CO -0.74 1.71 -0.03 0.35 -0.00 0.00 0.00 178.16 179.46 1ub1 h PHE 143 N 0.08 0.00 -0.83 4.88 3.57 0.58 -0.46 116.94 124.76 1ub1 h PHE 143 Ca -0.39 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.29 1ub1 h PHE 143 Cb 2.05 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 40.68 1ub1 h PHE 143 CO 0.08 0.03 0.31 1.49 -2.23 0.00 0.00 178.31 177.99 1ub1 h GLU 144 N 0.00 0.36 0.00 1.11 4.22 0.88 -3.38 114.58 117.77 1ub1 h GLU 144 Ca -0.00 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.34 1ub1 h GLU 144 Cb 0.30 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.34 1ub1 h GLU 144 CO 0.00 0.24 -0.02 0.36 -2.18 0.00 0.00 179.01 177.41 1ub1 n LYS 145 N -5.07 0.13 -0.00 1.92 2.85 -1.07 -4.99 118.16 111.93 1ub1 n LYS 145 Ca 0.18 -0.70 0.05 0.00 -1.05 0.00 0.00 58.31 56.80 1ub1 n LYS 145 Cb 0.55 -0.22 -0.07 0.00 -0.65 0.00 0.00 35.03 34.64 1ub1 n LYS 145 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1ub1 n VAL 146 N 1.32 0.00 -0.15 0.58 3.14 -0.21 -4.97 118.33 118.04 1ub1 n VAL 146 Ca -0.00 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1ub1 n VAL 146 Cb 0.72 0.98 0.00 0.00 -1.06 0.00 0.00 33.84 34.48 1ub1 n VAL 146 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ub1 n GLY 147 N 1.28 0.92 3.40 7.55 0.00 -1.26 -5.03 105.19 112.05 1ub1 n GLY 147 Ca 0.02 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1ub1 n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ub1 s ASP 148 N -2.02 6.44 -0.53 1.61 1.11 -1.26 -4.99 116.67 117.03 1ub1 s ASP 148 Ca 0.00 -1.84 -0.15 0.00 0.18 0.00 0.00 52.55 50.73 1ub1 s ASP 148 Cb 0.00 -2.33 0.13 0.00 1.07 0.00 0.00 42.92 41.79 1ub1 s ASP 148 CO 0.00 -1.02 0.48 -0.89 1.18 0.00 0.00 175.17 174.92 1ub1 s THR 149 N 2.31 5.13 0.00 -1.27 2.01 -1.26 -4.36 115.64 118.21 1ub1 s THR 149 Ca 0.21 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.71 1ub1 s THR 149 Cb -0.14 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.08 1ub1 s THR 149 CO -0.02 -0.85 0.00 -0.24 -0.69 0.00 0.00 174.62 172.83 1ub1 n SER 150 N 5.22 0.00 -4.63 3.53 2.88 -1.26 -5.10 113.62 114.26 1ub1 n SER 150 Ca -0.13 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.00 1ub1 n SER 150 Cb 0.40 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 1ub1 n SER 150 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1ub1 s LEU 151 N 0.00 4.07 0.35 2.46 2.96 -1.26 -4.96 118.68 122.29 1ub1 s LEU 151 Ca 0.00 0.75 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 1ub1 s LEU 151 Cb 0.00 -2.92 -0.06 0.00 0.50 0.00 0.00 46.19 43.71 1ub1 s LEU 151 CO 0.00 -0.41 0.06 1.51 -1.32 0.00 0.00 176.35 176.19 1ub1 s ASP 152 N 1.46 2.63 0.00 3.68 -4.77 -1.26 -4.97 116.67 113.44 1ub1 s ASP 152 Ca 0.28 -1.41 0.22 0.00 -3.30 0.00 0.00 52.55 48.34 1ub1 s ASP 152 Cb -0.15 -0.06 0.93 0.00 -1.09 0.00 0.00 42.92 42.55 1ub1 s ASP 152 CO 0.09 -0.62 1.70 -0.81 0.70 0.00 0.00 175.17 176.22 1ub1 n PRO 153 N -0.75 0.01 0.00 2.11 -0.04 -1.26 0.11 135.00 135.18 1ub1 n PRO 153 Ca -0.03 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1ub1 n PRO 153 Cb 0.67 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.54 1ub1 n PRO 153 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ub1 n ASN 154 N -1.49 1.19 -1.46 3.54 2.85 -1.26 -4.33 115.26 114.29 1ub1 n ASN 154 Ca 0.05 -1.09 0.02 0.00 -0.11 0.00 0.00 54.58 53.45 1ub1 n ASN 154 Cb 0.25 0.88 0.01 0.00 1.24 0.00 0.00 39.78 42.16 1ub1 n ASN 154 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1ub1 n ASP 155 N -1.13 0.73 -3.05 1.20 -0.08 -0.88 -5.11 116.55 108.23 1ub1 n ASP 155 Ca 0.05 -2.00 0.00 0.00 -1.51 0.00 0.00 54.79 51.33 1ub1 n ASP 155 Cb 0.34 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1ub1 n ASP 155 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1ub1 n PHE 156 N 0.40 -1.47 -0.05 -0.67 1.16 0.31 -4.32 117.46 112.81 1ub1 n PHE 156 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1ub1 n PHE 156 Cb 1.08 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.95 1ub1 n PHE 156 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1ub1 n ASP 157 N -2.10 0.73 -4.51 5.98 9.92 -1.26 -4.95 116.55 120.36 1ub1 n ASP 157 Ca 0.00 -0.88 -0.54 0.00 -0.53 0.00 0.00 54.79 52.84 1ub1 n ASP 157 Cb 0.00 0.20 -0.08 0.00 -0.64 0.00 0.00 41.12 40.61 1ub1 n ASP 157 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1ub1 n PHE 158 N -0.20 1.72 0.00 1.24 3.72 -1.26 -4.85 117.46 117.83 1ub1 n PHE 158 Ca 0.00 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 1ub1 n PHE 158 Cb 0.01 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.06 1ub1 n PHE 158 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ub1 n THR 159 N 6.30 0.00 0.18 4.37 -2.24 -1.26 -1.91 114.28 119.72 1ub1 n THR 159 Ca 0.38 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.32 1ub1 n THR 159 Cb 0.17 -0.21 0.60 0.00 -2.10 0.00 0.00 70.33 68.80 1ub1 n THR 159 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1ub1 h VAL 160 N 0.00 0.12 0.00 2.28 3.04 -1.89 1.91 116.25 121.71 1ub1 h VAL 160 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ub1 h VAL 160 Cb 0.00 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 29.73 1ub1 h VAL 160 CO 0.00 0.00 -0.06 1.07 -1.01 0.00 0.00 177.57 177.57 1ub1 n THR 161 N -3.13 1.84 0.00 3.17 5.66 -1.26 -4.43 114.28 116.12 1ub1 n THR 161 Ca 0.05 -2.26 0.00 0.00 -3.05 0.00 0.00 64.05 58.79 1ub1 n THR 161 Cb 0.73 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1ub1 n THR 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ub1 n GLY 162 N -1.36 -0.07 0.00 1.09 0.00 0.62 -4.88 105.19 100.60 1ub1 n GLY 162 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1ub1 n GLY 162 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ub1 n ARG 163 N -1.30 0.06 -2.96 1.61 0.00 -0.02 -4.86 116.66 109.19 1ub1 n ARG 163 Ca 0.00 0.07 -0.13 0.00 -0.00 0.00 0.00 57.85 57.79 1ub1 n ARG 163 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 30.94 1ub1 n ARG 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ub1 n GLY 164 N 1.02 -0.43 2.79 5.14 0.00 0.49 -4.81 105.19 109.41 1ub1 n GLY 164 Ca 0.07 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1ub1 n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ub1 n SER 165 N -1.63 3.68 0.02 1.61 7.64 -1.26 -4.89 113.62 118.78 1ub1 n SER 165 Ca 0.04 -3.29 -0.10 0.00 1.01 0.00 0.00 58.87 56.53 1ub1 n SER 165 Cb 0.44 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 62.75 1ub1 n SER 165 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ub1 h PRO 166 N 5.11 -0.15 -0.03 1.43 0.13 -1.92 -3.48 132.00 133.08 1ub1 h PRO 166 Ca 0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1ub1 h PRO 166 Cb 0.73 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1ub1 h PRO 166 CO 0.82 0.32 0.00 0.45 -0.23 0.00 0.00 178.00 179.35 1ub1 n SER 167 N -4.85 -1.48 0.21 1.44 2.88 -1.26 -5.09 113.62 105.46 1ub1 n SER 167 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ub1 n SER 167 Cb 0.26 0.67 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1ub1 n SER 167 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ub1 n ARG 168 N 0.43 0.00 -2.92 -1.46 1.85 -1.26 -5.11 116.66 108.20 1ub1 n ARG 168 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ub1 n ARG 168 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1ub1 n ARG 168 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1ub1 n ARG 169 N -3.34 -0.32 -3.45 2.89 1.85 -1.26 -4.99 116.66 108.05 1ub1 n ARG 169 Ca 0.00 0.73 -0.09 0.00 -1.00 0.00 0.00 57.85 57.48 1ub1 n ARG 169 Cb 0.00 -0.86 -0.09 0.00 -1.05 0.00 0.00 32.46 30.46 1ub1 n ARG 169 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1ub1 s GLU 170 N -0.82 0.32 0.05 2.89 2.12 -1.26 -5.15 118.70 116.85 1ub1 s GLU 170 Ca 0.00 0.67 -0.03 0.00 0.36 0.00 0.00 54.97 55.97 1ub1 s GLU 170 Cb 0.00 -0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.10 1ub1 s GLU 170 CO 0.00 -0.52 0.03 -1.14 -0.54 0.00 0.00 175.26 173.09 1ub1 s GLN 171 N 2.55 0.59 -0.30 4.30 2.00 -1.26 -5.14 119.66 122.40 1ub1 s GLN 171 Ca 0.08 -0.98 -0.18 0.00 -2.00 0.00 0.00 55.36 52.29 1ub1 s GLN 171 Cb -0.14 0.22 0.18 0.00 0.80 0.00 0.00 33.01 34.06 1ub1 s GLN 171 CO -0.14 -0.13 1.22 0.50 -0.50 0.00 0.00 175.29 176.24 1ub1 s ARG 172 N -3.21 0.01 0.19 1.67 3.52 -1.26 -5.15 118.95 114.72 1ub1 s ARG 172 Ca 0.00 0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 1ub1 s ARG 172 Cb 0.03 0.00 -0.08 0.00 -1.56 0.00 0.00 34.95 33.34 1ub1 s ARG 172 CO -0.07 -0.01 1.11 -1.25 -0.81 0.00 0.00 175.30 174.27 1ub1 s PRO 173 N 3.00 4.58 0.13 5.12 0.04 -1.26 -5.04 135.00 141.57 1ub1 s PRO 173 Ca 0.13 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 1ub1 s PRO 173 Cb -0.03 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.27 1ub1 s PRO 173 CO -0.15 0.06 0.15 -0.35 0.04 0.00 0.00 177.00 176.75 1ub1 n PRO 174 N 2.29 -0.71 -3.38 0.56 -0.04 -1.26 -5.10 135.00 127.36 1ub1 n PRO 174 Ca 0.03 -0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.27 1ub1 n PRO 174 Cb 0.46 -0.18 -0.03 0.00 -0.04 0.00 0.00 33.50 33.71 1ub1 n PRO 174 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ub1 s LYS 175 N -3.33 0.42 0.68 0.54 2.36 -1.26 -5.17 119.74 113.98 1ub1 s LYS 175 Ca 0.09 0.95 0.02 0.00 -2.55 0.00 0.00 55.97 54.48 1ub1 s LYS 175 Cb -0.01 0.56 0.12 0.00 -1.05 0.00 0.00 37.83 37.45 1ub1 s LYS 175 CO 0.06 -0.25 0.94 0.15 1.55 0.00 0.00 175.35 177.80 1ub1 s LYS 176 N 2.74 1.83 0.02 4.03 1.02 -1.26 -5.12 119.74 123.01 1ub1 s LYS 176 Ca 0.02 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 54.47 1ub1 s LYS 176 Cb -0.10 -2.42 0.10 0.00 -0.52 0.00 0.00 37.83 34.89 1ub1 s LYS 176 CO -0.18 -1.30 1.23 0.00 -0.92 0.00 0.00 175.35 174.19 1ub1 s ALA 177 N -3.02 -2.24 0.41 5.17 0.00 -1.26 -5.16 121.76 115.66 1ub1 s ALA 177 Ca 0.65 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1ub1 s ALA 177 Cb -0.05 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1ub1 s ALA 177 CO 0.43 -1.11 0.00 1.17 0.00 0.00 0.00 175.76 176.25 1ub1 n LYS 178 N -0.77 -2.58 -3.71 0.00 4.81 -1.26 -5.03 118.16 109.61 1ub1 n LYS 178 Ca -0.00 2.05 -0.12 0.00 -0.87 0.00 0.00 58.31 59.37 1ub1 n LYS 178 Cb 0.60 -2.69 -0.10 0.00 0.02 0.00 0.00 35.03 32.85 1ub1 n LYS 178 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1ub1 s SER 179 N -5.27 -0.48 0.91 3.14 1.04 -1.26 -5.17 113.70 106.61 1ub1 s SER 179 Ca 0.00 0.88 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 1ub1 s SER 179 Cb 0.00 0.82 0.14 0.00 0.10 0.00 0.00 66.02 67.08 1ub1 s SER 179 CO 0.00 -0.17 1.14 -2.16 0.98 0.00 0.00 173.24 173.03 1ub1 s PRO 180 N 0.82 1.12 -0.29 4.02 0.04 -1.26 -5.09 135.00 134.37 1ub1 s PRO 180 Ca -0.05 0.28 -0.28 0.00 0.04 0.00 0.00 61.00 60.99 1ub1 s PRO 180 Cb -0.06 -1.84 0.19 0.00 0.04 0.00 0.00 34.50 32.84 1ub1 s PRO 180 CO -0.06 -2.21 1.39 0.21 0.04 0.00 0.00 177.00 176.37 1ub1 s LYS 181 N -5.29 0.05 -0.20 4.56 2.20 -1.26 -5.19 119.74 114.62 1ub1 s LYS 181 Ca 0.64 0.02 -0.28 0.00 -0.36 0.00 0.00 55.97 55.99 1ub1 s LYS 181 Cb -0.15 0.02 0.12 0.00 -1.51 0.00 0.00 37.83 36.32 1ub1 s LYS 181 CO 0.53 -0.01 0.98 0.45 -0.36 0.00 0.00 175.35 176.94 1ub1 s SER 182 N -0.73 -0.43 1.08 1.43 0.15 -1.26 -5.18 113.70 108.77 1ub1 s SER 182 Ca 0.09 0.62 -0.13 0.00 0.70 0.00 0.00 55.95 57.23 1ub1 s SER 182 Cb -0.02 0.56 0.18 0.00 -1.71 0.00 0.00 66.02 65.03 1ub1 s SER 182 CO -0.10 -0.29 0.83 -0.81 1.20 0.00 0.00 173.24 174.07 1ub1 n PRO 183 N 1.34 -1.67 0.00 5.44 -0.04 -1.26 -5.10 135.00 133.71 1ub1 n PRO 183 Ca -0.12 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 1ub1 n PRO 183 Cb 0.57 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 1ub1 n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ub1 n GLY 184 N -1.69 0.96 3.60 0.55 0.00 -1.26 -5.19 105.19 102.16 1ub1 n GLY 184 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1ub1 n GLY 184 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ub1 s SER 185 N 0.00 -0.04 1.01 1.61 0.15 -1.26 -5.10 113.70 110.08 1ub1 s SER 185 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1ub1 s SER 185 Cb 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1ub1 s SER 185 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1ub1 n GLY 186 N -0.30 1.50 3.26 9.45 0.00 -1.26 -4.86 105.19 112.99 1ub1 n GLY 186 Ca -0.04 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 1ub1 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub1 n ARG 187 N 0.00 -1.62 0.00 1.61 1.74 -1.26 -4.90 116.66 112.23 1ub1 n ARG 187 Ca 0.00 1.24 0.00 0.00 -0.77 0.00 0.00 57.85 58.32 1ub1 n ARG 187 Cb 0.00 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1ub1 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ub1 n GLY 188 N -0.04 -0.37 1.07 -0.13 0.00 -1.26 -5.10 105.19 99.35 1ub1 n GLY 188 Ca -0.07 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ub1 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub1 n ARG 189 N 0.00 0.00 -4.69 1.61 3.00 -1.26 -5.06 116.66 110.26 1ub1 n ARG 189 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.59 1ub1 n ARG 189 Cb 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 32.46 31.82 1ub1 n ARG 189 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ub1 s GLY 190 N -4.49 0.85 0.13 -0.13 0.00 -1.26 -5.12 107.32 97.30 1ub1 s GLY 190 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 1ub1 s GLY 190 CO 0.00 -0.07 1.09 0.50 0.00 0.00 0.00 173.10 174.62 1ub1 s ARG 191 N 0.41 4.57 -0.70 2.90 0.52 -1.26 -4.90 118.95 120.49 1ub1 s ARG 191 Ca -0.11 1.67 -0.06 0.00 -0.52 0.00 0.00 55.73 56.71 1ub1 s ARG 191 Cb -0.14 -3.32 -0.12 0.00 0.52 0.00 0.00 34.95 31.89 1ub1 s ARG 191 CO 0.03 0.02 2.63 -0.35 0.02 0.00 0.00 175.30 177.65 1ub1 n PRO 192 N 2.83 2.23 0.00 3.54 -0.04 -1.26 -4.91 135.00 137.39 1ub1 n PRO 192 Ca 0.04 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1ub1 n PRO 192 Cb 0.47 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1ub1 n PRO 192 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ub1 n LYS 193 N 3.38 0.00 0.00 0.54 3.00 -1.26 -5.00 118.16 118.82 1ub1 n LYS 193 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1ub1 n LYS 193 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 1ub1 n LYS 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ub1 n GLY 194 N 0.00 4.07 0.28 3.14 0.00 -1.26 -5.16 105.19 106.26 1ub1 n GLY 194 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1ub1 n GLY 194 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ub1 n SER 195 N 0.00 -1.62 -0.80 1.61 2.88 -1.26 -5.29 113.62 109.14 1ub1 n SER 195 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1ub1 n SER 195 Cb 0.00 -0.31 0.08 0.00 -0.75 0.00 0.00 64.21 63.23 1ub1 n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42