#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub1 s PRO 73 N 0.00 -0.02 -0.30 0.00 0.04 -1.26 -5.09 135.00 128.37 1ub1 s PRO 73 Ca 0.00 -0.15 -0.09 0.00 0.04 0.00 0.00 61.00 60.81 1ub1 s PRO 73 Cb 0.00 -1.74 0.16 0.00 0.04 0.00 0.00 34.50 32.96 1ub1 s PRO 73 CO 0.00 -2.90 0.75 0.00 0.04 0.00 0.00 177.00 174.89 1ub1 s ALA 74 N -3.42 -2.42 -0.30 8.56 0.00 -1.26 -5.14 121.76 117.78 1ub1 s ALA 74 Ca 0.71 2.02 -0.09 0.00 0.00 0.00 0.00 51.96 54.60 1ub1 s ALA 74 Cb -0.08 -2.04 0.16 0.00 0.00 0.00 0.00 23.12 21.16 1ub1 s ALA 74 CO 0.54 -1.12 0.78 0.54 0.00 0.00 0.00 175.76 176.50 1ub1 s VAL 75 N 2.80 -0.77 -0.02 0.00 0.11 -1.26 -5.08 120.40 116.17 1ub1 s VAL 75 Ca 0.04 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1ub1 s VAL 75 Cb -0.11 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 1ub1 s VAL 75 CO -0.18 0.00 0.30 1.55 -3.33 0.00 0.00 175.10 173.44 1ub1 h PRO 76 N 7.87 -0.13 -6.12 1.54 0.13 -2.07 -3.49 132.00 129.74 1ub1 h PRO 76 Ca -0.18 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.70 1ub1 h PRO 76 Cb 1.13 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ub1 h PRO 76 CO 0.11 -0.09 -0.90 0.39 -0.23 0.00 0.00 178.00 177.28 1ub1 n GLU 77 N -3.22 -1.98 -4.05 0.86 4.71 -1.26 -5.01 120.64 110.69 1ub1 n GLU 77 Ca -0.02 1.56 -0.08 0.00 -0.01 0.00 0.00 57.16 58.62 1ub1 n GLU 77 Cb 0.05 -3.43 -0.10 0.00 -1.01 0.00 0.00 31.44 26.95 1ub1 n GLU 77 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ub1 s ALA 78 N -2.10 0.37 -0.44 0.62 0.00 -1.26 -5.11 121.76 113.84 1ub1 s ALA 78 Ca 0.27 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1ub1 s ALA 78 Cb -0.04 0.22 0.19 0.00 0.00 0.00 0.00 23.12 23.49 1ub1 s ALA 78 CO 0.84 -0.28 0.83 0.45 0.00 0.00 0.00 175.76 177.60 1ub1 s SER 79 N -2.35 -1.09 0.28 0.00 0.15 -1.26 -5.16 113.70 104.27 1ub1 s SER 79 Ca -0.02 -1.12 0.03 0.00 0.70 0.00 0.00 55.95 55.54 1ub1 s SER 79 Cb 0.01 1.42 -0.03 0.00 -1.71 0.00 0.00 66.02 65.71 1ub1 s SER 79 CO -0.06 -0.06 0.23 0.00 1.20 0.00 0.00 173.24 174.55 1ub1 s ALA 80 N 1.13 1.52 0.28 5.45 0.00 -1.26 -5.18 121.76 123.70 1ub1 s ALA 80 Ca 0.25 -1.89 0.03 0.00 0.00 0.00 0.00 51.96 50.34 1ub1 s ALA 80 Cb 0.03 1.43 -0.06 0.00 0.00 0.00 0.00 23.12 24.52 1ub1 s ALA 80 CO -0.07 -0.64 0.06 -1.12 0.00 0.00 0.00 175.76 173.98 1ub1 s SER 81 N -3.28 1.77 0.67 0.00 0.01 -1.26 -5.15 113.70 106.46 1ub1 s SER 81 Ca 0.40 -1.34 -0.12 0.00 1.31 0.00 0.00 55.95 56.19 1ub1 s SER 81 Cb 0.04 0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 1ub1 s SER 81 CO 0.21 -0.64 1.06 -2.16 0.41 0.00 0.00 173.24 172.12 1ub1 s PRO 82 N -3.94 3.05 0.20 12.44 0.04 -1.26 -5.08 135.00 140.45 1ub1 s PRO 82 Ca 0.35 1.00 0.09 0.00 0.04 0.00 0.00 61.00 62.48 1ub1 s PRO 82 Cb 0.08 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1ub1 s PRO 82 CO 0.13 -1.02 -0.17 -1.59 0.04 0.00 0.00 177.00 174.40 1ub1 s LYS 83 N -4.83 1.38 0.59 4.56 -2.85 -1.26 -5.06 119.74 112.26 1ub1 s LYS 83 Ca 0.59 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1ub1 s LYS 83 Cb -0.14 -1.33 0.00 0.00 -2.06 0.00 0.00 37.83 34.30 1ub1 s LYS 83 CO 0.51 0.25 0.00 1.04 0.10 0.00 0.00 175.35 177.25 1ub1 n GLN 84 N -0.17 -3.72 -0.70 1.78 6.02 -1.26 -4.51 117.38 114.83 1ub1 n GLN 84 Ca -0.09 2.95 -0.02 0.00 -0.01 0.00 0.00 57.00 59.82 1ub1 n GLN 84 Cb 0.59 -3.90 0.23 0.00 1.02 0.00 0.00 30.24 28.18 1ub1 n GLN 84 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ub1 n ARG 85 N -3.33 3.12 -2.01 -1.09 1.74 -1.26 -4.93 116.66 108.89 1ub1 n ARG 85 Ca -0.04 -2.15 -0.42 0.00 -0.77 0.00 0.00 57.85 54.46 1ub1 n ARG 85 Cb 0.56 -1.97 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1ub1 n ARG 85 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ub1 s ARG 86 N -2.24 4.22 0.00 5.56 6.06 -1.26 -5.00 118.95 126.28 1ub1 s ARG 86 Ca 0.38 2.22 0.00 0.00 -2.50 0.00 0.00 55.73 55.84 1ub1 s ARG 86 Cb 0.30 -3.64 0.00 0.00 0.06 0.00 0.00 34.95 31.67 1ub1 s ARG 86 CO 0.10 -0.71 0.00 0.43 -2.50 0.00 0.00 175.30 172.62 1ub1 n SER 87 N 5.72 0.00 0.00 -2.12 7.64 -1.26 -5.09 113.62 118.51 1ub1 n SER 87 Ca 0.15 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1ub1 n SER 87 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1ub1 n SER 87 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1ub1 n ILE 88 N -0.32 0.00 -2.93 0.44 -5.35 -1.26 -5.17 119.36 104.78 1ub1 n ILE 88 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1ub1 n ILE 88 Cb 0.00 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 1ub1 n ILE 88 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ub1 n ILE 89 N -1.87 0.00 0.15 7.28 3.06 -1.26 -5.11 119.36 121.61 1ub1 n ILE 89 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1ub1 n ILE 89 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1ub1 n ILE 89 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1ub1 n ARG 90 N 0.00 0.00 -1.52 9.51 0.00 -1.26 -5.10 116.66 118.29 1ub1 n ARG 90 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.41 1ub1 n ARG 90 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 1ub1 n ARG 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ub1 n ASP 91 N -3.38 0.25 -4.06 6.15 9.92 -1.26 -4.93 116.55 119.24 1ub1 n ASP 91 Ca 0.00 1.06 -0.34 0.00 -0.53 0.00 0.00 54.79 54.98 1ub1 n ASP 91 Cb 0.00 -1.20 -0.11 0.00 -0.64 0.00 0.00 41.12 39.17 1ub1 n ASP 91 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1ub1 s ARG 92 N -1.56 2.27 -0.45 -1.24 0.52 -1.26 -4.94 118.95 112.29 1ub1 s ARG 92 Ca 0.61 -2.42 0.07 0.00 -0.52 0.00 0.00 55.73 53.47 1ub1 s ARG 92 Cb -0.68 -3.57 0.23 0.00 0.52 0.00 0.00 34.95 31.44 1ub1 s ARG 92 CO 0.58 -1.13 0.67 0.41 0.02 0.00 0.00 175.30 175.86 1ub1 n GLY 93 N 3.59 1.11 3.75 -3.53 0.00 -1.26 -5.13 105.19 103.71 1ub1 n GLY 93 Ca 0.05 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1ub1 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ub1 s PRO 94 N 0.05 4.64 1.01 1.61 0.04 -1.26 -5.04 135.00 136.04 1ub1 s PRO 94 Ca 0.33 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 1ub1 s PRO 94 Cb 0.15 -3.22 0.22 0.00 0.04 0.00 0.00 34.50 31.69 1ub1 s PRO 94 CO -0.17 0.19 1.31 -1.64 0.04 0.00 0.00 177.00 176.74 1ub1 s MET 95 N -1.13 0.28 -0.02 4.56 -1.94 -1.26 -5.03 119.30 114.76 1ub1 s MET 95 Ca 0.46 -0.42 0.21 0.00 -1.71 0.00 0.00 55.69 54.23 1ub1 s MET 95 Cb -0.31 -1.80 0.36 0.00 2.01 0.00 0.00 34.83 35.09 1ub1 s MET 95 CO 0.39 -2.66 1.14 0.66 -0.01 0.00 0.00 175.02 174.54 1ub1 n TYR 96 N -3.93 0.04 -4.01 -0.03 4.02 -1.26 -4.74 117.16 107.25 1ub1 n TYR 96 Ca 0.16 -0.60 -0.11 0.00 -0.01 0.00 0.00 57.90 57.33 1ub1 n TYR 96 Cb 0.59 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.85 1ub1 n TYR 96 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ub1 s ASP 97 N -1.93 0.29 -0.65 7.72 1.11 -1.26 -4.99 116.67 116.96 1ub1 s ASP 97 Ca 0.28 -1.16 -0.15 0.00 0.18 0.00 0.00 52.55 51.70 1ub1 s ASP 97 Cb 0.32 0.65 0.02 0.00 1.07 0.00 0.00 42.92 44.98 1ub1 s ASP 97 CO -0.13 -1.27 0.60 -0.67 1.18 0.00 0.00 175.17 174.87 1ub1 n ASP 98 N -0.89 -4.79 -4.06 0.27 2.03 -1.26 -4.69 116.55 103.17 1ub1 n ASP 98 Ca -0.02 -0.64 -0.40 0.00 0.52 0.00 0.00 54.79 54.26 1ub1 n ASP 98 Cb 0.62 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.48 1ub1 n ASP 98 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ub1 n PRO 99 N -1.63 2.25 0.00 -0.67 -0.04 -1.26 -4.25 135.00 129.40 1ub1 n PRO 99 Ca -0.23 -2.49 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 1ub1 n PRO 99 Cb 0.66 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1ub1 n PRO 99 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ub1 n THR 100 N 6.22 0.00 -3.83 0.52 5.66 -1.26 -4.84 114.28 116.75 1ub1 n THR 100 Ca 0.49 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 61.28 1ub1 n THR 100 Cb 0.43 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.21 1ub1 n THR 100 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ub1 n LEU 101 N 0.00 -0.11 0.00 1.09 4.77 -1.26 -4.68 117.00 116.81 1ub1 n LEU 101 Ca 0.00 -0.59 0.07 0.00 -0.03 0.00 0.00 56.01 55.46 1ub1 n LEU 101 Cb 0.00 -0.73 0.44 0.00 -2.33 0.00 0.00 43.42 40.80 1ub1 n LEU 101 CO 0.00 0.37 0.70 -0.81 -1.33 0.00 0.00 177.39 176.32 1ub1 n PRO 102 N -2.73 0.75 0.00 3.23 -0.04 -1.26 -4.53 135.00 130.41 1ub1 n PRO 102 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ub1 n PRO 102 Cb 0.26 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1ub1 n PRO 102 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ub1 n GLU 103 N -0.81 0.00 0.16 0.54 4.71 -1.26 -5.01 120.64 118.96 1ub1 n GLU 103 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1ub1 n GLU 103 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.48 1ub1 n GLU 103 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ub1 n GLY 104 N 0.00 -1.65 0.00 0.62 0.00 -1.26 -5.14 105.19 97.75 1ub1 n GLY 104 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1ub1 n GLY 104 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ub1 n TRP 105 N -3.30 0.00 -3.97 1.61 -0.00 -1.26 -4.24 117.44 106.29 1ub1 n TRP 105 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.40 1ub1 n TRP 105 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 1ub1 n TRP 105 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1ub1 s THR 106 N 0.00 0.00 -0.13 5.87 2.01 -1.21 -4.97 115.64 117.20 1ub1 s THR 106 Ca 0.00 -1.32 -0.19 0.00 0.31 0.00 0.00 61.69 60.49 1ub1 s THR 106 Cb 0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1ub1 s THR 106 CO 0.00 0.00 0.50 -0.13 -0.69 0.00 0.00 174.62 174.30 1ub1 s ARG 107 N -3.44 4.32 -0.18 4.92 3.00 -1.25 -1.56 118.95 124.76 1ub1 s ARG 107 Ca 0.22 0.47 -0.03 0.00 0.00 0.00 0.00 55.73 56.38 1ub1 s ARG 107 Cb -0.02 -3.46 -0.02 0.00 0.00 0.00 0.00 34.95 31.45 1ub1 s ARG 107 CO 0.12 0.09 -0.06 0.15 0.00 0.00 0.00 175.30 175.61 1ub1 s LYS 108 N 0.83 3.50 -0.05 3.54 3.01 1.00 -4.75 119.74 126.81 1ub1 s LYS 108 Ca 0.26 -0.59 -0.03 0.00 -1.01 0.00 0.00 55.97 54.60 1ub1 s LYS 108 Cb -0.15 -2.90 -0.04 0.00 -1.01 0.00 0.00 37.83 33.73 1ub1 s LYS 108 CO 0.11 0.06 0.10 -1.17 0.51 0.00 0.00 175.35 174.95 1ub1 s LEU 109 N 0.82 4.07 0.28 3.17 0.20 -1.26 0.33 118.68 126.29 1ub1 s LEU 109 Ca -0.02 0.27 -0.13 0.00 0.69 0.00 0.00 54.13 54.95 1ub1 s LEU 109 Cb -0.15 -2.21 0.00 0.00 -0.43 0.00 0.00 46.19 43.40 1ub1 s LEU 109 CO 0.01 0.32 0.54 -0.54 -0.29 0.00 0.00 176.35 176.39 1ub1 s LYS 110 N -1.45 1.69 -0.05 1.98 1.02 0.30 -4.94 119.74 118.28 1ub1 s LYS 110 Ca 0.20 -1.31 -0.23 0.00 0.02 0.00 0.00 55.97 54.66 1ub1 s LYS 110 Cb -0.12 0.50 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1ub1 s LYS 110 CO 0.10 -0.72 0.68 -0.65 -0.92 0.00 0.00 175.35 173.84 1ub1 s GLN 111 N -3.72 4.42 0.00 1.68 -0.21 -1.26 0.24 119.66 120.81 1ub1 s GLN 111 Ca 0.22 0.84 0.21 0.00 0.02 0.00 0.00 55.36 56.65 1ub1 s GLN 111 Cb -0.02 -3.43 0.54 0.00 1.00 0.00 0.00 33.01 31.10 1ub1 s GLN 111 CO 0.11 0.13 1.45 -2.13 -2.12 0.00 0.00 175.29 172.72 1ub1 n ARG 112 N 3.56 2.67 0.00 2.91 3.00 -1.26 -4.70 116.66 122.83 1ub1 n ARG 112 Ca -0.02 -2.46 0.00 0.00 -0.00 0.00 0.00 57.85 55.36 1ub1 n ARG 112 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.47 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 1.41 0.00 -2.37 -0.14 4.81 -1.26 -4.62 118.16 115.99 1ub1 n LYS 113 Ca 0.21 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1ub1 n LYS 113 Cb 0.58 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.55 1ub1 n LYS 113 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ub1 n SER 114 N -1.29 -0.93 0.00 3.14 2.88 -1.26 -4.40 113.62 111.75 1ub1 n SER 114 Ca 0.00 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1ub1 n SER 114 Cb 0.00 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1ub1 n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ub1 n GLY 115 N -0.47 -0.05 1.94 0.46 0.00 -1.26 -5.12 105.19 100.69 1ub1 n GLY 115 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.54 1.61 3.00 -1.26 -4.99 116.66 112.48 1ub1 n ARG 116 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.65 1ub1 n ARG 116 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 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 -2.45 3.30 0.00 0.55 2.88 -1.26 -4.99 113.62 111.65 1ub1 n SER 117 Ca 0.00 -3.25 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 1ub1 n SER 117 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 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 -0.33 0.00 0.00 -1.46 0.00 -1.26 -4.98 120.51 112.48 1ub1 n ALA 118 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1ub1 n ALA 118 Cb 0.75 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.17 -1.45 3.87 0.00 0.00 -1.26 -5.10 105.19 101.07 1ub1 n GLY 119 Ca 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 46.02 46.45 1ub1 n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ub1 s LYS 120 N 0.00 3.15 0.00 1.61 2.47 -1.26 -5.04 119.74 120.67 1ub1 s LYS 120 Ca 0.00 -0.78 0.00 0.00 -1.56 0.00 0.00 55.97 53.63 1ub1 s LYS 120 Cb 0.00 -2.77 0.00 0.00 -1.46 0.00 0.00 37.83 33.60 1ub1 s LYS 120 CO 0.00 0.48 0.00 0.66 0.16 0.00 0.00 175.35 176.65 1ub1 n TYR 121 N -0.61 -0.41 -3.78 4.03 4.01 -1.26 -4.52 117.16 114.61 1ub1 n TYR 121 Ca -0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 1ub1 n TYR 121 Cb 0.55 0.00 -0.09 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 -2.20 -0.15 0.07 7.72 2.15 0.65 -4.60 116.67 120.31 1ub1 s ASP 122 Ca 0.00 0.03 0.04 0.00 0.43 0.00 0.00 52.55 53.05 1ub1 s ASP 122 Cb 0.00 0.29 -0.04 0.00 -0.30 0.00 0.00 42.92 42.87 1ub1 s ASP 122 CO 0.00 -0.44 0.00 -0.69 -0.17 0.00 0.00 175.17 173.87 1ub1 s VAL 123 N -1.38 4.05 -0.07 1.11 1.01 -1.26 0.11 120.40 123.97 1ub1 s VAL 123 Ca -0.14 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 1ub1 s VAL 123 Cb -0.05 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1ub1 s VAL 123 CO 0.04 0.17 -0.03 -0.47 0.00 0.00 0.00 175.10 174.80 1ub1 s TYR 124 N -1.27 0.89 -0.36 5.22 6.14 1.00 -4.50 117.35 124.48 1ub1 s TYR 124 Ca 0.25 -0.31 -0.16 0.00 0.64 0.00 0.00 57.07 57.48 1ub1 s TYR 124 Cb -0.12 -0.87 -0.00 0.00 0.42 0.00 0.00 41.96 41.39 1ub1 s TYR 124 CO 0.17 -0.33 0.40 -0.51 0.64 0.00 0.00 175.55 175.92 1ub1 s LEU 125 N 1.58 4.52 -0.27 6.97 1.43 0.15 0.33 118.68 133.38 1ub1 s LEU 125 Ca -0.00 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.66 1ub1 s LEU 125 Cb -0.13 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1ub1 s LEU 125 CO -0.04 -0.41 0.37 -0.63 0.23 0.00 0.00 176.35 175.86 1ub1 s ILE 126 N 2.10 5.18 1.21 -0.59 1.01 -0.60 0.19 121.20 129.70 1ub1 s ILE 126 Ca 0.13 0.55 -0.20 0.00 0.00 0.00 0.00 60.65 61.13 1ub1 s ILE 126 Cb -0.16 -3.69 0.30 0.00 0.01 0.00 0.00 42.46 38.91 1ub1 s ILE 126 CO 0.12 0.16 1.13 0.20 0.00 0.00 0.00 174.94 176.55 1ub1 s ASN 127 N 1.65 0.83 0.00 3.58 -0.87 0.27 -3.36 114.94 117.04 1ub1 s ASN 127 Ca 0.15 0.50 0.17 0.00 -1.57 0.00 0.00 52.86 52.11 1ub1 s ASN 127 Cb -0.16 -0.65 1.00 0.00 -0.02 0.00 0.00 41.25 41.43 1ub1 s ASN 127 CO 0.10 -4.16 1.48 -0.81 -2.57 0.00 0.00 177.10 171.14 1ub1 n PRO 128 N -4.77 0.75 -0.03 -0.60 -0.04 -1.26 -2.22 135.00 126.83 1ub1 n PRO 128 Ca 0.15 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 1ub1 n PRO 128 Cb 0.60 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.57 1ub1 n PRO 128 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ub1 n GLN 129 N -0.85 0.74 0.00 0.54 7.27 -1.26 -4.98 117.38 118.84 1ub1 n GLN 129 Ca 0.13 -0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1ub1 n GLN 129 Cb 0.06 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.29 1ub1 n GLN 129 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ub1 n GLY 130 N 1.63 1.28 3.67 1.69 0.00 -0.94 -4.80 105.19 107.72 1ub1 n GLY 130 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.43 4.22 -0.03 1.61 2.20 -1.26 -4.62 119.74 121.43 1ub1 s LYS 131 Ca 0.00 0.55 -0.13 0.00 -0.36 0.00 0.00 55.97 56.03 1ub1 s LYS 131 Cb 0.00 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 1ub1 s LYS 131 CO 0.00 -0.17 0.35 0.00 -0.36 0.00 0.00 175.35 175.17 1ub1 s ALA 132 N 1.70 3.72 -0.17 3.13 0.00 -1.25 0.93 121.76 129.83 1ub1 s ALA 132 Ca 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1ub1 s ALA 132 Cb -0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 1ub1 s ALA 132 CO 0.10 0.48 -0.11 -0.06 0.00 0.00 0.00 175.76 176.17 1ub1 s PHE 133 N -0.95 2.86 -1.47 0.00 0.08 0.51 -4.83 117.98 114.18 1ub1 s PHE 133 Ca 0.22 -0.85 0.22 0.00 0.12 0.00 0.00 56.93 56.64 1ub1 s PHE 133 Cb -0.16 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.29 1ub1 s PHE 133 CO 0.11 -0.39 1.03 0.54 -0.10 0.00 0.00 175.22 176.41 1ub1 n ARG 134 N 4.07 0.54 -3.92 0.44 1.74 -1.26 -0.67 116.66 117.60 1ub1 n ARG 134 Ca -0.18 -0.44 -0.10 0.00 -0.77 0.00 0.00 57.85 56.35 1ub1 n ARG 134 Cb 0.52 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.76 0.12 0.56 0.55 0.15 -1.26 -4.91 113.70 106.15 1ub1 s SER 135 Ca 0.13 -0.29 0.34 0.00 0.70 0.00 0.00 55.95 56.83 1ub1 s SER 135 Cb 0.17 0.13 1.59 0.00 -1.71 0.00 0.00 66.02 66.20 1ub1 s SER 135 CO 0.72 -0.26 2.08 0.50 1.20 0.00 0.00 173.24 177.49 1ub1 h LYS 136 N 4.87 0.00 -0.18 5.44 3.64 -1.91 -2.43 116.57 126.00 1ub1 h LYS 136 Ca -0.30 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1ub1 h LYS 136 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1ub1 h LYS 136 CO 0.42 0.06 -0.03 -0.24 -2.27 0.00 0.00 179.45 177.39 1ub1 h VAL 137 N 0.00 1.28 0.00 2.00 3.04 -1.99 -2.46 116.25 118.12 1ub1 h VAL 137 Ca -0.00 -0.96 -0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1ub1 h VAL 137 Cb 0.37 1.56 -0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1ub1 h VAL 137 CO 0.01 0.29 -0.01 -0.08 -1.01 0.00 0.00 177.57 176.76 1ub1 h GLU 138 N 0.05 0.00 -0.12 4.17 4.57 -1.86 -1.71 114.58 119.68 1ub1 h GLU 138 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1ub1 h GLU 138 Cb 0.45 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1ub1 h GLU 138 CO 0.01 0.01 0.08 1.25 -1.18 0.00 0.00 179.01 179.18 1ub1 h LEU 139 N 0.00 0.14 -0.47 1.64 5.85 -1.33 -2.32 115.31 118.83 1ub1 h LEU 139 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ub1 h LEU 139 Cb 0.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ub1 h LEU 139 CO 0.00 0.12 0.25 -0.29 -0.34 0.00 0.00 178.44 178.18 1ub1 h ILE 140 N 0.15 1.17 -0.77 4.05 2.10 -1.30 2.01 117.51 124.92 1ub1 h ILE 140 Ca 0.04 -0.45 0.16 0.00 1.08 0.00 0.00 64.86 65.69 1ub1 h ILE 140 Cb 0.00 0.61 -0.15 0.00 -1.09 0.00 0.00 36.82 36.20 1ub1 h ILE 140 CO -0.01 0.18 -0.18 0.00 -1.08 0.00 0.00 178.15 177.06 1ub1 h ALA 141 N 1.09 0.53 0.00 0.18 0.00 -1.17 7.50 119.26 127.39 1ub1 h ALA 141 Ca 0.16 0.30 -0.23 0.00 0.00 0.00 0.00 54.91 55.14 1ub1 h ALA 141 Cb 0.07 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1ub1 h ALA 141 CO -0.03 -0.41 -1.36 1.88 0.00 0.00 0.00 179.25 179.34 1ub1 h TYR 142 N 0.00 0.00 0.00 0.00 -1.99 -0.99 -3.31 116.97 110.69 1ub1 h TYR 142 Ca 0.37 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.08 1ub1 h TYR 142 Cb 0.58 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.30 1ub1 h TYR 142 CO -0.61 0.90 -0.12 0.35 -0.00 0.00 0.00 178.16 178.68 1ub1 h PHE 143 N 0.00 0.00 -0.75 4.88 3.57 0.58 -2.61 116.94 122.61 1ub1 h PHE 143 Ca -0.16 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.50 1ub1 h PHE 143 Cb 1.83 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 40.46 1ub1 h PHE 143 CO 0.00 0.12 0.21 1.49 -2.23 0.00 0.00 178.31 177.90 1ub1 h GLU 144 N 0.00 0.29 0.00 1.11 4.22 1.56 -3.42 114.58 118.34 1ub1 h GLU 144 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1ub1 h GLU 144 Cb 1.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ub1 h GLU 144 CO 0.02 0.19 0.00 1.17 -2.18 0.00 0.00 179.01 178.21 1ub1 n LYS 145 N -5.13 0.00 0.00 1.92 4.81 -1.24 -5.03 118.16 113.50 1ub1 n LYS 145 Ca 0.15 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.68 1ub1 n LYS 145 Cb 0.46 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.44 1ub1 n LYS 145 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1ub1 n VAL 146 N 0.00 0.00 0.00 3.15 3.14 -0.99 -4.93 118.33 118.70 1ub1 n VAL 146 Ca 0.00 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1ub1 n VAL 146 Cb 0.00 1.09 0.00 0.00 -1.06 0.00 0.00 33.84 33.87 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 1.40 1.94 2.75 7.55 0.00 -1.26 -5.12 105.19 112.45 1ub1 n GLY 147 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 0.83 -0.22 1.61 -0.00 -1.26 -5.12 116.67 110.51 1ub1 s ASP 148 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 52.55 52.54 1ub1 s ASP 148 Cb 0.00 -0.21 0.07 0.00 -0.00 0.00 0.00 42.92 42.77 1ub1 s ASP 148 CO 0.00 -0.17 0.02 -0.89 -0.00 0.00 0.00 175.17 174.13 1ub1 s THR 149 N 1.59 0.88 0.00 -1.27 2.01 -1.26 -4.82 115.64 112.77 1ub1 s THR 149 Ca -0.02 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1ub1 s THR 149 Cb -0.13 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1ub1 s THR 149 CO -0.03 -0.25 0.00 -0.24 -0.69 0.00 0.00 174.62 173.41 1ub1 n SER 150 N 4.90 0.00 -4.45 3.53 2.88 -1.26 -5.10 113.62 114.13 1ub1 n SER 150 Ca -0.09 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.03 1ub1 n SER 150 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 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 5.00 0.55 2.46 2.96 -1.26 -4.98 118.68 123.41 1ub1 s LEU 151 Ca 0.00 -0.88 0.06 0.00 -0.22 0.00 0.00 54.13 53.10 1ub1 s LEU 151 Cb 0.00 -2.14 0.05 0.00 0.50 0.00 0.00 46.19 44.61 1ub1 s LEU 151 CO 0.00 -0.42 0.50 -1.81 -1.32 0.00 0.00 176.35 173.30 1ub1 s ASP 152 N 1.66 4.74 0.42 3.68 1.01 -1.26 -4.81 116.67 122.11 1ub1 s ASP 152 Ca 0.05 -1.16 0.23 0.00 0.71 0.00 0.00 52.55 52.38 1ub1 s ASP 152 Cb -0.19 0.41 0.68 0.00 1.01 0.00 0.00 42.92 44.83 1ub1 s ASP 152 CO 0.09 -1.17 1.72 1.55 0.21 0.00 0.00 175.17 177.57 1ub1 h PRO 153 N 0.60 0.00 0.00 8.23 0.13 -1.91 0.80 132.00 139.85 1ub1 h PRO 153 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ub1 h PRO 153 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ub1 h PRO 153 CO 0.53 0.20 -1.02 -1.71 -0.23 0.00 0.00 178.00 175.77 1ub1 n ASN 154 N -3.24 0.65 -0.00 1.44 2.85 -1.26 -3.87 115.26 111.82 1ub1 n ASN 154 Ca 0.01 -0.40 0.10 0.00 -0.11 0.00 0.00 54.58 54.19 1ub1 n ASN 154 Cb 0.50 0.86 -0.13 0.00 1.24 0.00 0.00 39.78 42.24 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 -1.81 0.71 -4.61 1.20 4.64 -1.07 -4.98 116.55 110.63 1ub1 n ASP 155 Ca 0.02 -0.69 -0.42 0.00 -1.38 0.00 0.00 54.79 52.32 1ub1 n ASP 155 Cb 0.41 1.30 0.00 0.00 -1.04 0.00 0.00 41.12 41.79 1ub1 n ASP 155 CO 0.00 0.00 0.00 2.22 -0.82 0.00 0.00 177.20 178.60 1ub1 n PHE 156 N -1.72 1.26 -0.02 -0.67 -1.74 0.25 -4.78 117.46 110.03 1ub1 n PHE 156 Ca 0.02 0.59 -0.01 0.00 -0.56 0.00 0.00 57.45 57.48 1ub1 n PHE 156 Cb 0.40 -2.24 -0.00 0.00 1.52 0.00 0.00 39.48 39.15 1ub1 n PHE 156 CO 0.00 0.00 0.00 0.38 -0.56 0.00 0.00 176.76 176.58 1ub1 h ASP 157 N 1.71 0.00 -4.10 5.98 3.04 -1.93 -3.50 116.42 117.62 1ub1 h ASP 157 Ca -0.43 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 1ub1 h ASP 157 Cb 1.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.62 1ub1 h ASP 157 CO 0.58 0.25 -0.52 0.49 -2.04 0.00 0.00 179.24 178.00 1ub1 n PHE 158 N -3.13 -2.63 0.00 4.15 3.01 -1.26 -4.75 117.46 112.85 1ub1 n PHE 158 Ca -0.02 1.58 0.00 0.00 1.01 0.00 0.00 57.45 60.02 1ub1 n PHE 158 Cb 0.06 -2.36 0.00 0.00 -0.01 0.00 0.00 39.48 37.17 1ub1 n PHE 158 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ub1 n THR 159 N 1.85 0.00 0.31 4.37 -2.24 -1.26 -3.42 114.28 113.89 1ub1 n THR 159 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1ub1 n THR 159 Cb 0.00 -0.12 0.56 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.00 -0.07 2.28 3.04 -1.90 2.43 116.25 122.04 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 0.00 1.07 -1.01 0.00 0.00 177.57 177.63 1ub1 n THR 161 N -2.66 1.98 0.00 3.17 5.66 -1.26 -4.33 114.28 116.84 1ub1 n THR 161 Ca -0.01 -2.17 0.00 0.00 -3.05 0.00 0.00 64.05 58.82 1ub1 n THR 161 Cb 0.52 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 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 -1.20 0.15 0.02 1.09 0.00 0.81 -4.85 105.19 101.21 1ub1 n GLY 162 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.95 0.05 0.00 1.61 0.00 -0.69 -4.95 116.66 111.73 1ub1 n ARG 163 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1ub1 n ARG 163 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 30.90 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 1.06 1.55 3.87 5.14 0.00 -1.04 -4.98 105.19 110.81 1ub1 n GLY 164 Ca 0.06 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1ub1 n GLY 164 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ub1 s SER 165 N -4.00 6.30 0.00 1.61 0.01 -1.26 -4.05 113.70 112.31 1ub1 s SER 165 Ca 0.00 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1ub1 s SER 165 Cb 0.00 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1ub1 s SER 165 CO 0.00 0.36 0.14 -0.81 0.41 0.00 0.00 173.24 173.34 1ub1 n PRO 166 N 1.68 0.00 -1.26 12.44 -0.04 -1.26 -4.87 135.00 141.70 1ub1 n PRO 166 Ca -0.17 0.06 0.15 0.00 -0.04 0.00 0.00 63.50 63.49 1ub1 n PRO 166 Cb 0.54 -0.68 -0.06 0.00 -0.04 0.00 0.00 33.50 33.26 1ub1 n PRO 166 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ub1 n SER 167 N -0.67 -6.79 -2.66 3.54 2.88 -1.26 -4.96 113.62 103.70 1ub1 n SER 167 Ca 0.00 0.86 -0.03 0.00 -1.33 0.00 0.00 58.87 58.37 1ub1 n SER 167 Cb 0.00 -4.07 0.09 0.00 -0.75 0.00 0.00 64.21 59.48 1ub1 n SER 167 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ub1 n ARG 168 N -3.85 0.20 -3.68 -1.46 0.63 -1.26 -5.16 116.66 102.07 1ub1 n ARG 168 Ca -0.04 -0.76 0.03 0.00 -0.92 0.00 0.00 57.85 56.16 1ub1 n ARG 168 Cb 0.63 -0.16 0.00 0.00 0.45 0.00 0.00 32.46 33.39 1ub1 n ARG 168 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1ub1 s ARG 169 N 0.05 0.23 -0.30 -0.14 3.00 -1.26 -5.15 118.95 115.37 1ub1 s ARG 169 Ca 0.17 -0.13 -0.14 0.00 -1.00 0.00 0.00 55.73 54.63 1ub1 s ARG 169 Cb 0.25 0.07 0.18 0.00 0.00 0.00 0.00 34.95 35.45 1ub1 s ARG 169 CO -0.16 -0.10 1.10 -2.00 0.00 0.00 0.00 175.30 174.14 1ub1 s GLU 170 N -2.18 0.13 0.06 5.12 2.56 -1.26 -5.17 118.70 117.95 1ub1 s GLU 170 Ca 0.18 0.21 0.01 0.00 0.00 0.00 0.00 54.97 55.37 1ub1 s GLU 170 Cb 0.05 0.11 -0.03 0.00 2.00 0.00 0.00 34.13 36.26 1ub1 s GLU 170 CO -0.04 -0.17 -0.06 -1.14 -0.56 0.00 0.00 175.26 173.29 1ub1 s GLN 171 N 2.97 0.59 -0.31 4.30 0.74 -1.26 -5.11 119.66 121.58 1ub1 s GLN 171 Ca 0.04 -0.97 -0.11 0.00 0.05 0.00 0.00 55.36 54.37 1ub1 s GLN 171 Cb -0.08 -0.13 0.20 0.00 1.10 0.00 0.00 33.01 34.10 1ub1 s GLN 171 CO -0.13 -0.01 1.13 0.50 -0.55 0.00 0.00 175.29 176.23 1ub1 s ARG 172 N -2.56 0.07 0.48 1.67 3.52 -1.26 -5.16 118.95 115.71 1ub1 s ARG 172 Ca -0.02 -0.04 -0.20 0.00 -0.13 0.00 0.00 55.73 55.33 1ub1 s ARG 172 Cb -0.03 0.00 -0.09 0.00 -1.56 0.00 0.00 34.95 33.28 1ub1 s ARG 172 CO -0.03 -0.10 1.04 -1.25 -0.81 0.00 0.00 175.30 174.15 1ub1 s PRO 173 N 1.71 3.83 0.00 5.12 0.04 -1.26 -5.06 135.00 139.37 1ub1 s PRO 173 Ca 0.17 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1ub1 s PRO 173 Cb 0.07 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ub1 s PRO 173 CO -0.15 -0.41 0.00 -0.35 0.04 0.00 0.00 177.00 176.13 1ub1 n PRO 174 N -0.91 0.35 -2.99 0.56 -0.04 -1.26 -5.12 135.00 125.61 1ub1 n PRO 174 Ca 0.09 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 1ub1 n PRO 174 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 1ub1 n PRO 174 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ub1 n LYS 175 N -0.54 0.37 0.00 0.54 4.81 -1.26 -5.10 118.16 116.98 1ub1 n LYS 175 Ca 0.00 -1.63 0.00 0.00 -0.87 0.00 0.00 58.31 55.81 1ub1 n LYS 175 Cb 0.00 1.53 0.00 0.00 0.02 0.00 0.00 35.03 36.58 1ub1 n LYS 175 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ub1 n LYS 176 N -0.33 0.00 -1.71 1.64 3.00 -1.26 -5.15 118.16 114.35 1ub1 n LYS 176 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1ub1 n LYS 176 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.36 1ub1 n LYS 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ub1 n ALA 177 N -1.36 -2.15 -3.41 3.14 0.00 -1.26 -5.05 120.51 110.42 1ub1 n ALA 177 Ca 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 1ub1 n ALA 177 Cb 0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 1ub1 n ALA 177 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ub1 s LYS 178 N -2.06 0.45 -0.20 0.00 2.20 -1.26 -5.13 119.74 113.74 1ub1 s LYS 178 Ca 0.00 0.96 -0.01 0.00 -0.36 0.00 0.00 55.97 56.56 1ub1 s LYS 178 Cb 0.00 0.27 0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1ub1 s LYS 178 CO 0.00 -0.47 -0.03 0.45 -0.36 0.00 0.00 175.35 174.94 1ub1 s SER 179 N 2.72 3.28 1.10 1.43 0.15 -1.26 -5.13 113.70 116.00 1ub1 s SER 179 Ca 0.09 -0.92 -0.16 0.00 0.70 0.00 0.00 55.95 55.66 1ub1 s SER 179 Cb -0.14 -0.95 0.22 0.00 -1.71 0.00 0.00 66.02 63.45 1ub1 s SER 179 CO -0.17 -0.24 1.03 -0.81 1.20 0.00 0.00 173.24 174.25 1ub1 n PRO 180 N 4.83 -1.94 -3.87 5.44 -0.04 -1.26 -5.10 135.00 133.07 1ub1 n PRO 180 Ca -0.11 -1.61 -0.01 0.00 -0.04 0.00 0.00 63.50 61.73 1ub1 n PRO 180 Cb 0.46 -1.27 0.01 0.00 -0.04 0.00 0.00 33.50 32.66 1ub1 n PRO 180 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ub1 s LYS 181 N -5.28 0.94 -0.02 0.54 2.20 -1.26 -5.18 119.74 111.68 1ub1 s LYS 181 Ca 0.62 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 55.59 1ub1 s LYS 181 Cb -0.04 0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1ub1 s LYS 181 CO 0.45 -0.44 0.10 -1.12 -0.36 0.00 0.00 175.35 173.99 1ub1 s SER 182 N -3.43 -0.04 0.00 1.43 0.01 -1.26 -5.10 113.70 105.31 1ub1 s SER 182 Ca 0.22 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1ub1 s SER 182 Cb -0.01 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1ub1 s SER 182 CO 0.02 -0.15 0.15 -0.81 0.41 0.00 0.00 173.24 172.87 1ub1 n PRO 183 N 2.49 0.00 0.00 12.44 -0.04 -1.26 -5.10 135.00 143.54 1ub1 n PRO 183 Ca -0.16 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ub1 n PRO 183 Cb 0.58 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 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 1.64 1.33 3.64 0.55 0.00 -1.26 -5.14 105.19 105.94 1ub1 n GLY 184 Ca 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 46.02 43.84 1ub1 n GLY 184 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ub1 s SER 185 N 0.00 -0.07 0.00 1.61 0.01 -1.26 -5.19 113.70 108.80 1ub1 s SER 185 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1ub1 s SER 185 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1ub1 s SER 185 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1ub1 n GLY 186 N -0.49 3.99 3.46 3.44 0.00 -1.26 -5.19 105.19 109.14 1ub1 n GLY 186 Ca -0.08 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1ub1 n GLY 186 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ub1 s ARG 187 N 1.81 1.43 -0.27 1.61 1.70 -1.26 -5.16 118.95 118.80 1ub1 s ARG 187 Ca 0.00 -1.37 -0.07 0.00 -0.47 0.00 0.00 55.73 53.82 1ub1 s ARG 187 Cb 0.00 0.41 0.13 0.00 -0.57 0.00 0.00 34.95 34.92 1ub1 s ARG 187 CO 0.00 -0.56 0.57 0.20 -1.08 0.00 0.00 175.30 174.43 1ub1 s GLY 188 N -3.06 -0.67 0.00 3.88 0.00 -1.26 -5.16 107.32 101.05 1ub1 s GLY 188 Ca 0.28 1.97 0.00 0.00 0.00 0.00 0.00 44.72 46.97 1ub1 s GLY 188 CO 0.10 2.95 0.00 -0.96 0.00 0.00 0.00 173.10 175.18 1ub1 n ARG 189 N 5.43 3.85 0.00 2.90 1.85 -1.26 -5.16 116.66 124.27 1ub1 n ARG 189 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1ub1 n ARG 189 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 1ub1 n ARG 189 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ub1 n GLY 190 N 5.00 1.42 3.27 2.89 0.00 -1.26 -5.17 105.19 111.35 1ub1 n GLY 190 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 1ub1 n GLY 190 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ub1 s ARG 191 N 2.75 0.44 1.02 1.61 3.52 -1.26 -5.17 118.95 121.86 1ub1 s ARG 191 Ca 0.00 0.59 -0.17 0.00 -0.13 0.00 0.00 55.73 56.02 1ub1 s ARG 191 Cb 0.00 0.17 0.24 0.00 -1.56 0.00 0.00 34.95 33.80 1ub1 s ARG 191 CO 0.00 -0.08 1.12 -0.35 -0.81 0.00 0.00 175.30 175.18 1ub1 n PRO 192 N 3.17 -2.09 -0.01 5.12 -0.04 -1.26 -5.05 135.00 134.84 1ub1 n PRO 192 Ca -0.15 -1.76 -0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1ub1 n PRO 192 Cb 0.57 -1.39 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1ub1 n PRO 192 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ub1 h LYS 193 N 0.00 0.00 0.00 0.54 3.11 -2.10 -3.50 116.57 114.62 1ub1 h LYS 193 Ca -0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 1ub1 h LYS 193 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 1ub1 h LYS 193 CO 0.26 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.31 1ub1 n GLY 194 N 1.76 0.19 0.27 5.01 0.00 -1.26 -5.07 105.19 106.09 1ub1 n GLY 194 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ub1 n GLY 194 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ub1 n SER 195 N 2.32 -1.40 -0.34 1.61 3.41 -1.26 -5.36 113.62 112.59 1ub1 n SER 195 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1ub1 n SER 195 Cb 0.00 -0.39 0.04 0.00 -0.26 0.00 0.00 64.21 63.60 1ub1 n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49