#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 -0.44 -3.18 0.00 -0.04 -1.26 -5.10 135.00 124.98 1ub1 n PRO 73 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1ub1 n PRO 73 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 -3.52 -0.31 0.55 0.00 -1.26 -5.14 121.76 108.58 1ub1 s ALA 74 Ca 0.00 1.54 -0.04 0.00 0.00 0.00 0.00 51.96 53.46 1ub1 s ALA 74 Cb 0.00 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.71 1ub1 s ALA 74 CO 0.00 -1.27 0.03 0.08 0.00 0.00 0.00 175.76 174.60 1ub1 s VAL 75 N 2.62 3.30 0.68 0.00 1.01 -1.26 -5.10 120.40 121.66 1ub1 s VAL 75 Ca -0.04 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.60 1ub1 s VAL 75 Cb -0.06 -2.85 0.16 0.00 0.00 0.00 0.00 36.38 33.63 1ub1 s VAL 75 CO -0.12 -0.09 0.75 -0.81 0.00 0.00 0.00 175.10 174.84 1ub1 n PRO 76 N 4.71 -1.57 -3.61 2.72 -0.04 -1.26 -5.11 135.00 130.84 1ub1 n PRO 76 Ca -0.13 -1.18 -0.09 0.00 -0.04 0.00 0.00 63.50 62.06 1ub1 n PRO 76 Cb 0.44 -0.93 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 1ub1 n PRO 76 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ub1 s GLU 77 N -4.67 0.50 0.03 0.54 2.12 -1.26 -5.18 118.70 110.79 1ub1 s GLU 77 Ca 0.45 0.34 -0.28 0.00 0.36 0.00 0.00 54.97 55.84 1ub1 s GLU 77 Cb -0.03 0.24 0.07 0.00 0.26 0.00 0.00 34.13 34.67 1ub1 s GLU 77 CO 0.33 -0.11 0.65 0.00 -0.54 0.00 0.00 175.26 175.58 1ub1 s ALA 78 N -0.43 -1.69 -0.29 6.30 0.00 -1.26 -5.17 121.76 119.21 1ub1 s ALA 78 Ca 0.01 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.79 1ub1 s ALA 78 Cb -0.03 0.34 0.15 0.00 0.00 0.00 0.00 23.12 23.58 1ub1 s ALA 78 CO -0.03 -0.52 1.03 0.45 0.00 0.00 0.00 175.76 176.68 1ub1 s SER 79 N -1.79 -0.44 0.27 0.00 0.15 -1.26 -5.18 113.70 105.46 1ub1 s SER 79 Ca -0.06 0.72 0.02 0.00 0.70 0.00 0.00 55.95 57.33 1ub1 s SER 79 Cb -0.00 1.12 -0.05 0.00 -1.71 0.00 0.00 66.02 65.37 1ub1 s SER 79 CO 0.01 -0.12 0.07 0.00 1.20 0.00 0.00 173.24 174.41 1ub1 s ALA 80 N 1.14 1.92 -0.32 5.45 0.00 -1.26 -5.13 121.76 123.56 1ub1 s ALA 80 Ca -0.07 -1.91 -0.10 0.00 0.00 0.00 0.00 51.96 49.88 1ub1 s ALA 80 Cb -0.04 0.86 0.19 0.00 0.00 0.00 0.00 23.12 24.13 1ub1 s ALA 80 CO -0.13 -0.39 1.06 0.45 0.00 0.00 0.00 175.76 176.75 1ub1 s SER 81 N -3.36 -0.29 1.00 0.00 0.15 -1.26 -5.17 113.70 104.77 1ub1 s SER 81 Ca 0.36 -0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1ub1 s SER 81 Cb 0.08 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 1ub1 s SER 81 CO 0.13 -0.03 0.04 -0.81 1.20 0.00 0.00 173.24 173.77 1ub1 n PRO 82 N 3.82 -0.56 -3.43 5.44 -0.04 -1.26 -5.11 135.00 133.86 1ub1 n PRO 82 Ca 0.06 -0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 1ub1 n PRO 82 Cb 0.63 -0.05 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1ub1 n PRO 82 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ub1 n LYS 83 N -1.36 0.63 0.00 0.54 2.85 -1.26 -5.09 118.16 114.47 1ub1 n LYS 83 Ca 0.01 -2.14 0.00 0.00 -1.05 0.00 0.00 58.31 55.13 1ub1 n LYS 83 Cb 0.02 2.16 0.00 0.00 -0.65 0.00 0.00 35.03 36.56 1ub1 n LYS 83 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1ub1 n GLN 84 N -0.45 0.00 -1.15 -1.58 6.02 -1.26 -5.02 117.38 113.94 1ub1 n GLN 84 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.93 1ub1 n GLN 84 Cb 0.47 -0.43 -0.02 0.00 1.02 0.00 0.00 30.24 31.28 1ub1 n GLN 84 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ub1 n ARG 85 N -2.61 -0.69 -2.81 -1.09 0.63 -1.26 -4.98 116.66 103.85 1ub1 n ARG 85 Ca 0.00 0.56 -0.41 0.00 -0.92 0.00 0.00 57.85 57.08 1ub1 n ARG 85 Cb 0.30 -4.32 -0.05 0.00 0.45 0.00 0.00 32.46 28.84 1ub1 n ARG 85 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1ub1 s ARG 86 N -1.94 4.66 -0.37 -0.14 3.52 -1.26 -4.97 118.95 118.44 1ub1 s ARG 86 Ca 0.00 1.34 -0.03 0.00 -0.13 0.00 0.00 55.73 56.91 1ub1 s ARG 86 Cb 0.00 -3.36 0.23 0.00 -1.56 0.00 0.00 34.95 30.27 1ub1 s ARG 86 CO 0.00 0.29 1.09 0.45 -0.81 0.00 0.00 175.30 176.31 1ub1 n SER 87 N 2.58 -1.74 -3.36 -2.12 2.88 -1.26 -5.16 113.62 105.44 1ub1 n SER 87 Ca 0.00 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 1ub1 n SER 87 Cb 0.49 0.92 0.00 0.00 -0.75 0.00 0.00 64.21 64.87 1ub1 n SER 87 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1ub1 n ILE 88 N 2.23 0.00 -1.46 2.46 -0.00 -1.26 -5.07 119.36 116.26 1ub1 n ILE 88 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 1ub1 n ILE 88 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.30 1ub1 n ILE 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ub1 n ILE 89 N -1.98 0.00 0.00 7.28 3.06 -1.26 -5.20 119.36 121.26 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 -1.42 -4.15 9.51 3.00 -1.26 -5.19 116.66 117.16 1ub1 n ARG 90 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1ub1 n ARG 90 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1ub1 n ARG 90 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1ub1 s ASP 91 N 0.00 0.45 0.23 6.15 -4.77 -1.26 -5.18 116.67 112.29 1ub1 s ASP 91 Ca 0.00 -1.35 -0.04 0.00 -3.30 0.00 0.00 52.55 47.86 1ub1 s ASP 91 Cb 0.00 0.50 -0.03 0.00 -1.09 0.00 0.00 42.92 42.31 1ub1 s ASP 91 CO 0.00 -1.02 0.27 -0.60 0.70 0.00 0.00 175.17 174.52 1ub1 s ARG 92 N -3.83 1.39 -0.34 2.11 6.06 -1.26 -5.14 118.95 117.93 1ub1 s ARG 92 Ca 0.34 -1.55 -0.00 0.00 -2.50 0.00 0.00 55.73 52.02 1ub1 s ARG 92 Cb 0.03 0.34 0.19 0.00 0.06 0.00 0.00 34.95 35.57 1ub1 s ARG 92 CO 0.15 -0.51 0.80 0.20 -2.50 0.00 0.00 175.30 173.44 1ub1 s GLY 93 N -3.14 -1.27 -0.26 8.12 0.00 -1.26 -5.13 107.32 104.38 1ub1 s GLY 93 Ca 0.34 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.80 1ub1 s GLY 93 CO 0.13 3.91 1.33 2.56 0.00 0.00 0.00 173.10 181.03 1ub1 s PRO 94 N 2.33 3.96 -0.04 2.90 0.04 -1.26 -4.70 135.00 138.23 1ub1 s PRO 94 Ca 0.16 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.60 1ub1 s PRO 94 Cb -0.03 -3.88 0.05 0.00 0.04 0.00 0.00 34.50 30.68 1ub1 s PRO 94 CO -0.17 -1.06 0.49 -0.12 0.04 0.00 0.00 177.00 176.18 1ub1 n MET 95 N 7.22 0.16 0.00 4.56 1.56 -1.26 -5.16 117.12 124.21 1ub1 n MET 95 Ca 0.15 -0.27 0.00 0.00 -0.27 0.00 0.00 57.70 57.31 1ub1 n MET 95 Cb 0.46 0.31 0.00 0.00 2.15 0.00 0.00 33.22 36.14 1ub1 n MET 95 CO 0.00 0.00 0.00 2.48 -0.73 0.00 0.00 175.97 177.72 1ub1 n TYR 96 N -0.18 0.00 -3.82 1.12 0.18 -1.26 -4.89 117.16 108.30 1ub1 n TYR 96 Ca -0.06 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.68 1ub1 n TYR 96 Cb 0.47 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 1ub1 n TYR 96 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ub1 s ASP 97 N 0.00 -0.10 -0.38 9.48 1.01 -1.26 -5.09 116.67 120.32 1ub1 s ASP 97 Ca 0.00 -0.65 0.10 0.00 0.71 0.00 0.00 52.55 52.72 1ub1 s ASP 97 Cb 0.00 0.59 0.31 0.00 1.01 0.00 0.00 42.92 44.83 1ub1 s ASP 97 CO 0.00 -1.13 0.66 0.47 0.21 0.00 0.00 175.17 175.38 1ub1 n ASP 98 N -0.87 0.69 -2.60 0.27 8.00 -1.26 -4.56 116.55 116.21 1ub1 n ASP 98 Ca -0.05 -2.91 -0.18 0.00 0.71 0.00 0.00 54.79 52.36 1ub1 n ASP 98 Cb 0.60 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 1ub1 n ASP 98 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ub1 n PRO 99 N 0.68 2.05 -2.51 -0.24 -0.04 -1.23 -4.77 135.00 128.95 1ub1 n PRO 99 Ca 0.24 -1.19 -0.43 0.00 -0.04 0.00 0.00 63.50 62.08 1ub1 n PRO 99 Cb 0.61 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 3.19 4.02 -0.09 0.52 -2.24 -0.37 -4.62 114.28 114.70 1ub1 n THR 100 Ca 0.44 -4.16 -0.10 0.00 -2.27 0.00 0.00 64.05 57.96 1ub1 n THR 100 Cb 0.47 -2.43 -0.02 0.00 -2.10 0.00 0.00 70.33 66.24 1ub1 n THR 100 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ub1 h LEU 101 N 10.47 0.38 0.00 3.22 3.38 -1.86 -0.93 115.31 129.96 1ub1 h LEU 101 Ca 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ub1 h LEU 101 Cb 0.79 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ub1 h LEU 101 CO 1.49 0.38 0.00 -0.81 0.09 0.00 0.00 178.44 179.59 1ub1 n PRO 102 N -4.80 0.75 -0.58 1.13 -0.04 -1.26 -4.78 135.00 125.42 1ub1 n PRO 102 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1ub1 n PRO 102 Cb 0.09 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1ub1 n PRO 102 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ub1 n GLU 103 N -0.72 0.00 -2.92 0.54 0.00 -0.35 -4.94 120.64 112.24 1ub1 n GLU 103 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.26 1ub1 n GLU 103 Cb 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 29.87 1ub1 n GLU 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ub1 s GLY 104 N -1.80 -1.38 -0.30 8.31 0.00 -1.25 -4.99 107.32 105.91 1ub1 s GLY 104 Ca 0.00 1.30 -0.18 0.00 0.00 0.00 0.00 44.72 45.84 1ub1 s GLY 104 CO 0.00 4.16 1.24 0.86 0.00 0.00 0.00 173.10 179.37 1ub1 s TRP 105 N 2.18 -0.08 -0.07 1.90 -0.00 -1.26 -1.78 118.94 119.83 1ub1 s TRP 105 Ca 0.17 0.09 -0.18 0.00 -0.00 0.00 0.00 56.10 56.18 1ub1 s TRP 105 Cb 0.01 0.03 0.04 0.00 -0.00 0.00 0.00 33.47 33.55 1ub1 s TRP 105 CO -0.16 -0.04 0.43 -0.08 -0.00 0.00 0.00 176.95 177.10 1ub1 s THR 106 N 2.88 0.03 -0.17 5.86 -1.32 -1.08 -1.23 115.64 120.61 1ub1 s THR 106 Ca -0.09 -0.22 -0.15 0.00 -1.21 0.00 0.00 61.69 60.01 1ub1 s THR 106 Cb -0.07 -0.69 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 1ub1 s THR 106 CO -0.08 -0.12 0.36 0.00 -2.21 0.00 0.00 174.62 172.57 1ub1 s ARG 107 N -0.76 4.24 -0.20 7.08 1.70 -1.25 -0.81 118.95 128.95 1ub1 s ARG 107 Ca -0.08 0.20 -0.03 0.00 -0.47 0.00 0.00 55.73 55.34 1ub1 s ARG 107 Cb -0.04 -3.47 -0.01 0.00 -0.57 0.00 0.00 34.95 30.86 1ub1 s ARG 107 CO 0.04 0.12 -0.05 0.15 -1.08 0.00 0.00 175.30 174.48 1ub1 s LYS 108 N 0.81 3.42 -0.02 3.89 3.01 0.86 -4.62 119.74 127.09 1ub1 s LYS 108 Ca 0.19 -0.62 -0.07 0.00 -1.01 0.00 0.00 55.97 54.46 1ub1 s LYS 108 Cb -0.14 -2.95 -0.05 0.00 -1.01 0.00 0.00 37.83 33.68 1ub1 s LYS 108 CO 0.07 -0.08 0.24 -1.17 0.51 0.00 0.00 175.35 174.92 1ub1 s LEU 109 N 1.17 4.39 0.00 3.17 0.20 -1.26 0.36 118.68 126.71 1ub1 s LEU 109 Ca 0.02 0.56 -0.03 0.00 0.69 0.00 0.00 54.13 55.37 1ub1 s LEU 109 Cb -0.14 -2.52 0.01 0.00 -0.43 0.00 0.00 46.19 43.11 1ub1 s LEU 109 CO -0.01 0.30 0.28 0.29 -0.29 0.00 0.00 176.35 176.92 1ub1 n LYS 110 N 1.38 0.40 -3.39 1.98 5.02 0.59 -4.93 118.16 119.21 1ub1 n LYS 110 Ca -0.14 -1.27 -0.38 0.00 -2.02 0.00 0.00 58.31 54.51 1ub1 n LYS 110 Cb 0.53 1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 36.79 1ub1 n LYS 110 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1ub1 s GLN 111 N -2.28 4.27 -0.09 1.97 -0.21 -1.26 0.25 119.66 122.31 1ub1 s GLN 111 Ca 0.12 0.29 -0.01 0.00 0.02 0.00 0.00 55.36 55.78 1ub1 s GLN 111 Cb -0.01 -3.46 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 1ub1 s GLN 111 CO 0.09 0.12 0.06 -0.09 -2.12 0.00 0.00 175.29 173.35 1ub1 h ARG 112 N 6.90 -0.05 -5.08 2.91 1.12 -1.83 -3.46 114.38 114.89 1ub1 h ARG 112 Ca -0.39 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.14 1ub1 h ARG 112 Cb 1.17 0.01 -0.17 0.00 -0.01 0.00 0.00 29.97 30.97 1ub1 h ARG 112 CO 0.75 -0.03 -0.73 0.15 -3.11 0.00 0.00 179.97 176.99 1ub1 s LYS 113 N -1.71 0.94 -0.26 0.20 -0.14 -1.26 -5.06 119.74 112.46 1ub1 s LYS 113 Ca -0.01 -1.26 0.22 0.00 -1.36 0.00 0.00 55.97 53.56 1ub1 s LYS 113 Cb 0.00 -0.63 0.49 0.00 -1.68 0.00 0.00 37.83 36.01 1ub1 s LYS 113 CO 0.02 0.10 1.17 0.45 -0.76 0.00 0.00 175.35 176.33 1ub1 n SER 114 N 0.33 1.11 0.00 2.83 2.88 -1.26 -4.28 113.62 115.23 1ub1 n SER 114 Ca -0.14 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 55.35 1ub1 n SER 114 Cb 0.58 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.69 -1.98 0.00 0.46 0.00 -1.26 -4.91 105.19 96.81 1ub1 n GLY 115 Ca 0.03 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -2.28 1.61 5.12 -1.26 -3.55 116.66 116.30 1ub1 n ARG 116 Ca 0.00 0.66 -0.14 0.00 -1.93 0.00 0.00 57.85 56.44 1ub1 n ARG 116 Cb 0.00 -1.13 0.04 0.00 -1.16 0.00 0.00 32.46 30.21 1ub1 n ARG 116 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ub1 n SER 117 N -1.73 3.51 -4.39 0.55 2.88 -1.26 -5.09 113.62 108.09 1ub1 n SER 117 Ca 0.00 -3.07 -0.49 0.00 -1.33 0.00 0.00 58.87 53.98 1ub1 n SER 117 Cb 0.00 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 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 -0.66 -2.95 -2.00 -1.46 0.00 -1.23 -4.84 120.51 107.37 1ub1 n ALA 118 Ca 0.29 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1ub1 n ALA 118 Cb 0.90 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.94 0.90 3.76 0.00 0.00 -1.26 -4.93 105.19 105.59 1ub1 n GLY 119 Ca 0.18 0.38 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 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 1.98 2.89 0.13 1.61 2.36 -1.26 -5.04 119.74 122.41 1ub1 s LYS 120 Ca 0.00 -0.64 -0.02 0.00 -2.55 0.00 0.00 55.97 52.77 1ub1 s LYS 120 Cb 0.00 -2.74 0.03 0.00 -1.05 0.00 0.00 37.83 34.07 1ub1 s LYS 120 CO 0.00 0.59 0.06 0.66 1.55 0.00 0.00 175.35 178.22 1ub1 n TYR 121 N 0.78 -1.50 -4.03 4.03 4.01 -1.26 -4.46 117.16 114.73 1ub1 n TYR 121 Ca -0.11 -0.03 -0.09 0.00 -0.16 0.00 0.00 57.90 57.51 1ub1 n TYR 121 Cb 0.52 -0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.74 0.44 0.10 7.72 -1.08 0.70 -4.65 116.67 118.16 1ub1 s ASP 122 Ca 0.05 -0.68 0.06 0.00 -0.52 0.00 0.00 52.55 51.46 1ub1 s ASP 122 Cb -0.01 0.12 -0.04 0.00 -1.46 0.00 0.00 42.92 41.53 1ub1 s ASP 122 CO 0.04 -0.39 -0.06 -0.69 0.52 0.00 0.00 175.17 174.59 1ub1 s VAL 123 N -2.30 3.61 -0.10 1.11 1.01 -1.26 0.22 120.40 122.69 1ub1 s VAL 123 Ca -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1ub1 s VAL 123 Cb -0.04 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1ub1 s VAL 123 CO -0.04 0.10 -0.08 -0.47 0.00 0.00 0.00 175.10 174.62 1ub1 s TYR 124 N -1.27 1.42 -0.38 5.22 6.14 1.15 -4.49 117.35 125.13 1ub1 s TYR 124 Ca 0.23 -0.66 -0.19 0.00 0.64 0.00 0.00 57.07 57.09 1ub1 s TYR 124 Cb -0.11 -1.16 0.01 0.00 0.42 0.00 0.00 41.96 41.11 1ub1 s TYR 124 CO 0.16 -0.45 0.57 -0.51 0.64 0.00 0.00 175.55 175.95 1ub1 s LEU 125 N 1.49 4.42 -0.22 6.97 1.43 0.57 0.30 118.68 133.63 1ub1 s LEU 125 Ca 0.01 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 1ub1 s LEU 125 Cb -0.13 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1ub1 s LEU 125 CO -0.06 -0.60 0.41 -0.63 0.23 0.00 0.00 176.35 175.70 1ub1 s ILE 126 N 2.56 5.17 1.07 -0.59 1.01 0.01 0.20 121.20 130.63 1ub1 s ILE 126 Ca 0.20 0.70 -0.18 0.00 0.00 0.00 0.00 60.65 61.37 1ub1 s ILE 126 Cb -0.15 -3.74 0.25 0.00 0.01 0.00 0.00 42.46 38.84 1ub1 s ILE 126 CO 0.15 0.21 1.29 -3.20 0.00 0.00 0.00 174.94 173.39 1ub1 n ASN 127 N 4.81 -0.54 0.00 3.58 5.15 0.32 -2.62 115.26 125.96 1ub1 n ASN 127 Ca -0.08 -1.40 0.10 0.00 -0.60 0.00 0.00 54.58 52.60 1ub1 n ASN 127 Cb 0.51 -1.03 0.61 0.00 -0.53 0.00 0.00 39.78 39.33 1ub1 n ASN 127 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ub1 n PRO 128 N -4.17 0.75 -0.00 1.20 -0.04 -0.73 -2.02 135.00 129.99 1ub1 n PRO 128 Ca 0.17 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 1ub1 n PRO 128 Cb 0.59 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 1ub1 n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ub1 n GLN 129 N -0.92 1.30 -0.06 0.54 10.64 -1.26 -4.89 117.38 122.72 1ub1 n GLN 129 Ca 0.15 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 1ub1 n GLN 129 Cb 0.07 -1.31 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 1ub1 n GLN 129 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ub1 n GLY 130 N 1.42 0.97 3.66 2.61 0.00 -0.86 -5.07 105.19 107.93 1ub1 n GLY 130 Ca 0.02 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.52 4.16 -0.00 1.61 2.36 -1.26 -4.80 119.74 121.29 1ub1 s LYS 131 Ca 0.00 0.23 -0.13 0.00 -2.55 0.00 0.00 55.97 53.52 1ub1 s LYS 131 Cb 0.00 -3.55 -0.05 0.00 -1.05 0.00 0.00 37.83 33.18 1ub1 s LYS 131 CO 0.00 -0.08 0.37 0.00 1.55 0.00 0.00 175.35 177.20 1ub1 s ALA 132 N 1.43 3.73 -0.15 3.13 0.00 -1.25 0.12 121.76 128.76 1ub1 s ALA 132 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1ub1 s ALA 132 Cb -0.15 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.65 1ub1 s ALA 132 CO 0.08 0.51 -0.16 -0.06 0.00 0.00 0.00 175.76 176.14 1ub1 s PHE 133 N -1.13 2.77 -1.11 0.00 0.08 0.54 -4.82 117.98 114.31 1ub1 s PHE 133 Ca 0.24 -1.04 0.22 0.00 0.12 0.00 0.00 56.93 56.47 1ub1 s PHE 133 Cb -0.16 -1.88 -0.08 0.00 -0.57 0.00 0.00 43.02 40.33 1ub1 s PHE 133 CO 0.13 -0.47 1.01 0.54 -0.10 0.00 0.00 175.22 176.33 1ub1 n ARG 134 N 4.03 0.13 -3.91 0.44 1.74 -1.26 -0.32 116.66 117.52 1ub1 n ARG 134 Ca -0.19 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.68 1ub1 n ARG 134 Cb 0.52 -1.50 -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 -2.94 0.09 0.42 0.55 0.15 -1.26 -4.90 113.70 105.80 1ub1 s SER 135 Ca 0.10 -0.25 0.12 0.00 0.70 0.00 0.00 55.95 56.62 1ub1 s SER 135 Cb 0.16 0.16 0.90 0.00 -1.71 0.00 0.00 66.02 65.54 1ub1 s SER 135 CO 0.81 -0.28 1.96 0.50 1.20 0.00 0.00 173.24 177.43 1ub1 h LYS 136 N 4.74 0.10 -0.37 5.44 3.64 -1.91 -2.23 116.57 125.98 1ub1 h LYS 136 Ca -0.30 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1ub1 h LYS 136 Cb 1.20 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1ub1 h LYS 136 CO 0.42 0.27 0.23 -0.24 -2.27 0.00 0.00 179.45 177.85 1ub1 h VAL 137 N 0.10 1.07 0.00 2.00 3.04 -1.95 -0.22 116.25 120.28 1ub1 h VAL 137 Ca 0.02 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.54 1ub1 h VAL 137 Cb 0.34 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 30.18 1ub1 h VAL 137 CO 0.02 0.09 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.55 1ub1 h GLU 138 N 0.47 0.00 -0.15 4.17 4.57 -1.83 -2.22 114.58 119.59 1ub1 h GLU 138 Ca 0.14 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1ub1 h GLU 138 Cb -0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1ub1 h GLU 138 CO -0.05 0.04 0.02 1.25 -1.18 0.00 0.00 179.01 179.09 1ub1 h LEU 139 N 0.00 -0.00 -0.15 1.64 5.85 -0.81 0.93 115.31 122.77 1ub1 h LEU 139 Ca -0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ub1 h LEU 139 Cb 0.16 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ub1 h LEU 139 CO 0.00 0.02 0.05 -0.29 -0.34 0.00 0.00 178.44 177.89 1ub1 h ILE 140 N 0.09 1.18 -0.63 4.05 2.10 -1.36 1.48 117.51 124.42 1ub1 h ILE 140 Ca 0.07 -0.56 0.13 0.00 1.08 0.00 0.00 64.86 65.58 1ub1 h ILE 140 Cb 0.06 1.27 -0.11 0.00 -1.09 0.00 0.00 36.82 36.95 1ub1 h ILE 140 CO -0.09 0.17 -0.01 0.00 -1.08 0.00 0.00 178.15 177.14 1ub1 h ALA 141 N 0.87 0.61 0.00 0.18 0.00 -1.25 5.64 119.26 125.31 1ub1 h ALA 141 Ca 0.05 0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1ub1 h ALA 141 Cb 0.22 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ub1 h ALA 141 CO -0.00 -0.40 -0.87 1.88 0.00 0.00 0.00 179.25 179.86 1ub1 h TYR 142 N 0.11 0.00 0.00 0.00 0.05 -0.55 -3.20 116.97 113.38 1ub1 h TYR 142 Ca 0.33 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.05 1ub1 h TYR 142 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 1ub1 h TYR 142 CO -0.38 0.87 -0.40 0.74 -1.05 0.00 0.00 178.16 177.94 1ub1 h PHE 143 N 0.00 0.00 -0.42 4.88 -1.00 0.48 -3.17 116.94 117.71 1ub1 h PHE 143 Ca -0.01 0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.89 1ub1 h PHE 143 Cb 1.61 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.16 1ub1 h PHE 143 CO 0.00 0.29 0.32 1.49 -1.61 0.00 0.00 178.31 178.80 1ub1 h GLU 144 N 0.00 0.00 0.00 1.51 4.22 1.13 6.33 114.58 127.77 1ub1 h GLU 144 Ca -0.01 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.24 1ub1 h GLU 144 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1ub1 h GLU 144 CO 0.04 0.00 -1.11 1.57 -2.18 0.00 0.00 179.01 177.33 1ub1 h LYS 145 N 0.00 0.00 -0.35 1.92 2.10 -1.72 -3.34 116.57 115.18 1ub1 h LYS 145 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1ub1 h LYS 145 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1ub1 h LYS 145 CO -0.00 0.81 0.00 1.55 -2.00 0.00 0.00 179.45 179.81 1ub1 n VAL 146 N -4.47 0.33 -2.75 0.07 3.14 -0.92 -4.85 118.33 108.88 1ub1 n VAL 146 Ca -0.27 -0.25 -0.09 0.00 -2.96 0.00 0.00 64.34 60.76 1ub1 n VAL 146 Cb 0.60 -0.02 -0.02 0.00 -1.06 0.00 0.00 33.84 33.34 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 0.62 -0.42 1.16 7.55 0.00 2.04 -4.20 105.19 111.93 1ub1 n GLY 147 Ca 0.06 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1ub1 n GLY 147 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ub1 n ASP 148 N -1.51 -6.26 -3.23 1.61 -0.08 -0.43 -4.96 116.55 101.68 1ub1 n ASP 148 Ca 0.03 1.23 -0.01 0.00 -1.51 0.00 0.00 54.79 54.53 1ub1 n ASP 148 Cb 0.43 -3.87 -0.03 0.00 2.34 0.00 0.00 41.12 39.99 1ub1 n ASP 148 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ub1 s THR 149 N -4.31 -0.84 0.00 5.18 2.01 -1.26 -5.00 115.64 111.43 1ub1 s THR 149 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1ub1 s THR 149 Cb 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1ub1 s THR 149 CO 0.00 -0.08 0.00 -0.24 -0.69 0.00 0.00 174.62 173.61 1ub1 n SER 150 N 5.40 0.00 -4.70 3.53 2.88 -1.26 -4.87 113.62 114.60 1ub1 n SER 150 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1ub1 n SER 150 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1ub1 n SER 150 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1ub1 s LEU 151 N 0.00 4.32 0.18 2.46 2.34 -1.26 -5.05 118.68 121.67 1ub1 s LEU 151 Ca 0.00 1.46 0.04 0.00 0.06 0.00 0.00 54.13 55.69 1ub1 s LEU 151 Cb 0.00 -3.40 -0.03 0.00 -0.56 0.00 0.00 46.19 42.20 1ub1 s LEU 151 CO 0.00 -0.26 0.25 1.51 -1.06 0.00 0.00 176.35 176.79 1ub1 s ASP 152 N 0.98 6.03 0.30 1.48 3.84 -1.26 -4.88 116.67 123.15 1ub1 s ASP 152 Ca 0.46 0.03 0.26 0.00 -0.00 0.00 0.00 52.55 53.30 1ub1 s ASP 152 Cb -0.19 -1.72 0.89 0.00 -1.38 0.00 0.00 42.92 40.52 1ub1 s ASP 152 CO 0.22 0.02 1.76 1.55 -0.00 0.00 0.00 175.17 178.73 1ub1 h PRO 153 N 1.96 0.00 0.00 2.11 0.13 -1.95 1.42 132.00 135.67 1ub1 h PRO 153 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ub1 h PRO 153 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ub1 h PRO 153 CO 0.65 0.00 -0.04 -1.71 -0.23 0.00 0.00 178.00 176.67 1ub1 n ASN 154 N -2.45 0.43 -1.25 1.44 5.15 -1.26 -3.80 115.26 113.52 1ub1 n ASN 154 Ca 0.03 0.50 -0.02 0.00 -0.60 0.00 0.00 54.58 54.49 1ub1 n ASN 154 Cb 0.35 -0.59 -0.03 0.00 -0.53 0.00 0.00 39.78 38.98 1ub1 n ASN 154 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ub1 n ASP 155 N -1.89 -0.17 -4.49 1.20 -0.08 -0.94 -5.13 116.55 105.05 1ub1 n ASP 155 Ca 0.06 -2.00 -0.40 0.00 -1.51 0.00 0.00 54.79 50.94 1ub1 n ASP 155 Cb 0.39 0.06 0.02 0.00 2.34 0.00 0.00 41.12 43.92 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 0.17 -0.19 -1.62 -0.67 -1.74 0.48 -4.66 117.46 109.24 1ub1 n PHE 156 Ca -0.14 0.53 -0.18 0.00 -0.56 0.00 0.00 57.45 57.10 1ub1 n PHE 156 Cb 0.88 -2.03 -0.11 0.00 1.52 0.00 0.00 39.48 39.75 1ub1 n PHE 156 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1ub1 n ASP 157 N 0.78 1.65 -4.54 5.98 5.75 -1.26 -4.85 116.55 120.05 1ub1 n ASP 157 Ca 0.11 -2.53 -0.41 0.00 -0.01 0.00 0.00 54.79 51.95 1ub1 n ASP 157 Cb 0.42 -1.68 -0.09 0.00 -1.03 0.00 0.00 41.12 38.75 1ub1 n ASP 157 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1ub1 s PHE 158 N 15.72 3.19 0.00 2.11 -0.71 -1.26 -4.91 117.98 132.13 1ub1 s PHE 158 Ca 0.79 0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.70 1ub1 s PHE 158 Cb -0.03 -2.79 0.00 0.00 -1.21 0.00 0.00 43.02 38.99 1ub1 s PHE 158 CO 0.19 -0.50 0.00 0.25 -1.34 0.00 0.00 175.22 173.82 1ub1 n THR 159 N 5.33 0.00 -0.32 -4.49 -2.24 -1.26 -3.82 114.28 107.48 1ub1 n THR 159 Ca -0.07 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.85 1ub1 n THR 159 Cb 0.49 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.73 -0.46 2.28 3.04 -1.91 1.25 116.25 121.17 1ub1 h VAL 160 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1ub1 h VAL 160 Cb 0.00 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 1ub1 h VAL 160 CO 0.00 0.12 0.00 1.07 -1.01 0.00 0.00 177.57 177.75 1ub1 n THR 161 N -4.65 1.14 0.00 3.17 5.66 -1.26 -1.04 114.28 117.30 1ub1 n THR 161 Ca 0.21 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 1ub1 n THR 161 Cb 0.59 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 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 0.97 0.72 0.16 1.09 0.00 0.42 -4.74 105.19 103.81 1ub1 n GLY 162 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1ub1 n GLY 162 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ub1 h ARG 163 N 0.00 0.00 -0.93 1.61 2.47 -1.51 -3.17 114.38 112.85 1ub1 h ARG 163 Ca 0.00 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.11 1ub1 h ARG 163 Cb 0.00 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 28.02 1ub1 h ARG 163 CO 0.00 0.43 0.58 0.41 0.56 0.00 0.00 179.97 181.95 1ub1 n GLY 164 N 0.86 5.66 3.67 0.04 0.00 -0.78 -4.97 105.19 109.67 1ub1 n GLY 164 Ca 0.01 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1ub1 n GLY 164 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ub1 s SER 165 N -2.00 6.98 0.00 1.61 1.04 -0.20 -4.43 113.70 116.70 1ub1 s SER 165 Ca 0.61 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1ub1 s SER 165 Cb 0.49 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1ub1 s SER 165 CO 0.02 -0.41 0.20 -0.81 0.98 0.00 0.00 173.24 173.21 1ub1 n PRO 166 N 5.27 0.00 -1.04 4.02 -0.04 -1.26 -5.01 135.00 136.93 1ub1 n PRO 166 Ca 0.05 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 1ub1 n PRO 166 Cb 0.49 -0.92 -0.05 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.39 -6.19 -4.08 3.54 2.88 -1.26 -4.67 113.62 102.45 1ub1 n SER 167 Ca 0.00 0.79 -0.35 0.00 -1.33 0.00 0.00 58.87 57.98 1ub1 n SER 167 Cb 0.00 -3.41 -0.08 0.00 -0.75 0.00 0.00 64.21 59.97 1ub1 n SER 167 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1ub1 s ARG 168 N -3.07 2.91 0.10 -1.46 3.52 -1.26 -4.95 118.95 114.74 1ub1 s ARG 168 Ca 0.00 -3.01 0.00 0.00 -0.13 0.00 0.00 55.73 52.59 1ub1 s ARG 168 Cb 0.00 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1ub1 s ARG 168 CO 0.00 -1.23 0.00 -2.13 -0.81 0.00 0.00 175.30 171.13 1ub1 n ARG 169 N 2.71 -1.38 -4.53 5.12 3.00 -1.26 -5.09 116.66 115.24 1ub1 n ARG 169 Ca 0.16 1.01 -0.24 0.00 -0.00 0.00 0.00 57.85 58.78 1ub1 n ARG 169 Cb 0.37 -1.09 -0.11 0.00 0.00 0.00 0.00 32.46 31.63 1ub1 n ARG 169 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1ub1 s GLU 170 N -3.45 1.79 0.32 -0.14 1.03 -1.26 -5.17 118.70 111.83 1ub1 s GLU 170 Ca 0.00 -2.01 0.04 0.00 0.03 0.00 0.00 54.97 53.03 1ub1 s GLU 170 Cb 0.00 -1.16 -0.03 0.00 -0.80 0.00 0.00 34.13 32.13 1ub1 s GLU 170 CO 0.00 -0.15 0.20 -1.14 -1.33 0.00 0.00 175.26 172.83 1ub1 s GLN 171 N -3.82 1.68 -0.32 -4.83 0.74 -1.26 -5.14 119.66 106.71 1ub1 s GLN 171 Ca 0.34 -1.97 -0.06 0.00 0.05 0.00 0.00 55.36 53.72 1ub1 s GLN 171 Cb 0.09 0.00 0.19 0.00 1.10 0.00 0.00 33.01 34.39 1ub1 s GLN 171 CO 0.16 -0.53 0.95 0.50 -0.55 0.00 0.00 175.29 175.82 1ub1 s ARG 172 N -3.69 0.28 0.65 1.67 3.52 -1.26 -5.17 118.95 114.95 1ub1 s ARG 172 Ca 0.36 0.05 -0.13 0.00 -0.13 0.00 0.00 55.73 55.88 1ub1 s ARG 172 Cb 0.04 0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1ub1 s ARG 172 CO 0.20 -0.45 1.06 -1.25 -0.81 0.00 0.00 175.30 174.04 1ub1 s PRO 173 N 2.41 3.14 0.60 5.12 0.04 -1.26 -5.06 135.00 139.99 1ub1 s PRO 173 Ca 0.19 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 1ub1 s PRO 173 Cb -0.01 -2.01 0.14 0.00 0.04 0.00 0.00 34.50 32.66 1ub1 s PRO 173 CO -0.18 -0.94 0.67 -0.35 0.04 0.00 0.00 177.00 176.23 1ub1 n PRO 174 N -2.62 -1.43 -3.27 0.56 -0.04 -1.26 -5.10 135.00 121.84 1ub1 n PRO 174 Ca 0.08 -1.04 0.03 0.00 -0.04 0.00 0.00 63.50 62.52 1ub1 n PRO 174 Cb 0.53 -0.82 -0.04 0.00 -0.04 0.00 0.00 33.50 33.13 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 -4.48 0.15 0.25 0.54 2.47 -1.26 -5.18 119.74 112.23 1ub1 s LYS 175 Ca 0.40 0.37 -0.18 0.00 -1.56 0.00 0.00 55.97 55.01 1ub1 s LYS 175 Cb -0.02 0.22 0.01 0.00 -1.46 0.00 0.00 37.83 36.58 1ub1 s LYS 175 CO 0.29 -0.06 0.60 -1.59 0.16 0.00 0.00 175.35 174.75 1ub1 s LYS 176 N 2.29 1.63 0.00 4.03 -2.85 -1.26 -5.18 119.74 118.40 1ub1 s LYS 176 Ca -0.01 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 1ub1 s LYS 176 Cb -0.04 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 1ub1 s LYS 176 CO -0.16 -0.71 0.00 0.00 0.10 0.00 0.00 175.35 174.57 1ub1 n ALA 177 N -0.41 0.00 -3.78 0.59 0.00 -1.26 -5.19 120.51 110.46 1ub1 n ALA 177 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1ub1 n ALA 177 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1ub1 n ALA 177 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ub1 s LYS 178 N -1.21 1.86 0.00 0.00 -2.85 -1.26 -5.14 119.74 111.14 1ub1 s LYS 178 Ca 0.00 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1ub1 s LYS 178 Cb 0.00 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 1ub1 s LYS 178 CO 0.00 -0.85 0.00 -1.13 0.10 0.00 0.00 175.35 173.47 1ub1 n SER 179 N -0.65 0.00 -4.54 0.03 3.41 -1.26 -5.17 113.62 105.44 1ub1 n SER 179 Ca -0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.27 1ub1 n SER 179 Cb 0.59 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.70 1ub1 n SER 179 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ub1 s PRO 180 N 0.00 0.71 0.01 4.33 0.04 -1.26 -5.10 135.00 133.74 1ub1 s PRO 180 Ca 0.00 0.13 -0.28 0.00 0.04 0.00 0.00 61.00 60.88 1ub1 s PRO 180 Cb 0.00 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.81 1ub1 s PRO 180 CO 0.00 -2.45 0.67 0.21 0.04 0.00 0.00 177.00 175.46 1ub1 s LYS 181 N -5.39 1.11 -0.34 4.56 2.20 -1.26 -5.13 119.74 115.49 1ub1 s LYS 181 Ca 0.66 0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 56.24 1ub1 s LYS 181 Cb -0.12 0.52 0.19 0.00 -1.51 0.00 0.00 37.83 36.90 1ub1 s LYS 181 CO 0.54 -0.40 0.96 0.45 -0.36 0.00 0.00 175.35 176.54 1ub1 s SER 182 N -1.69 -0.59 0.76 1.43 0.15 -1.26 -5.17 113.70 107.33 1ub1 s SER 182 Ca -0.07 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1ub1 s SER 182 Cb -0.00 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1ub1 s SER 182 CO 0.02 -0.07 0.00 -0.81 1.20 0.00 0.00 173.24 173.58 1ub1 n PRO 183 N 3.94 -0.14 -3.60 5.44 -0.04 -1.26 -5.11 135.00 134.23 1ub1 n PRO 183 Ca 0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1ub1 n PRO 183 Cb 0.62 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 1ub1 n PRO 183 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ub1 s GLY 184 N -2.34 -0.31 0.12 0.55 0.00 -1.26 -5.19 107.32 98.90 1ub1 s GLY 184 Ca 0.00 1.50 -0.25 0.00 0.00 0.00 0.00 44.72 45.97 1ub1 s GLY 184 CO 0.00 0.49 0.89 -1.35 0.00 0.00 0.00 173.10 173.13 1ub1 s SER 185 N -2.26 -0.26 0.26 1.64 1.04 -1.26 -5.19 113.70 107.67 1ub1 s SER 185 Ca 0.10 -0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.16 1ub1 s SER 185 Cb -0.01 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1ub1 s SER 185 CO -0.05 -0.87 0.48 0.61 0.98 0.00 0.00 173.24 174.39 1ub1 n GLY 186 N -0.40 1.63 2.59 7.32 0.00 -1.26 -5.19 105.19 109.88 1ub1 n GLY 186 Ca -0.07 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 1ub1 n GLY 186 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ub1 n ARG 187 N -0.37 0.40 -3.35 1.61 1.85 -1.26 -5.17 116.66 110.37 1ub1 n ARG 187 Ca -0.04 -2.69 0.02 0.00 -1.00 0.00 0.00 57.85 54.14 1ub1 n ARG 187 Cb 0.40 2.04 -0.04 0.00 -1.05 0.00 0.00 32.46 33.81 1ub1 n ARG 187 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1ub1 s GLY 188 N -2.89 -0.20 0.00 2.89 0.00 -1.26 -5.17 107.32 100.68 1ub1 s GLY 188 Ca 0.29 3.02 0.00 0.00 0.00 0.00 0.00 44.72 48.03 1ub1 s GLY 188 CO 0.20 3.32 0.00 -0.96 0.00 0.00 0.00 173.10 175.66 1ub1 n ARG 189 N 5.02 3.99 0.00 2.90 1.85 -1.26 -5.17 116.66 123.99 1ub1 n ARG 189 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1ub1 n ARG 189 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 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 4.86 3.28 2.89 0.00 -1.26 -5.19 105.19 114.77 1ub1 n GLY 190 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1ub1 n GLY 190 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ub1 s ARG 191 N 4.67 0.69 0.51 1.61 3.03 -1.26 -5.17 118.95 123.03 1ub1 s ARG 191 Ca 0.00 -0.06 -0.09 0.00 2.03 0.00 0.00 55.73 57.61 1ub1 s ARG 191 Cb 0.00 0.31 0.12 0.00 -1.03 0.00 0.00 34.95 34.36 1ub1 s ARG 191 CO 0.00 -0.19 0.56 -0.35 -1.13 0.00 0.00 175.30 174.19 1ub1 n PRO 192 N 1.39 -1.29 -3.59 3.89 -0.04 -1.26 -5.11 135.00 128.99 1ub1 n PRO 192 Ca -0.20 -0.88 -0.11 0.00 -0.04 0.00 0.00 63.50 62.27 1ub1 n PRO 192 Cb 0.56 -0.69 -0.06 0.00 -0.04 0.00 0.00 33.50 33.27 1ub1 n PRO 192 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ub1 s LYS 193 N -4.24 0.63 0.00 0.54 -2.85 -1.26 -5.13 119.74 107.42 1ub1 s LYS 193 Ca 0.34 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.64 1ub1 s LYS 193 Cb -0.02 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1ub1 s LYS 193 CO 0.25 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.95 1ub1 n GLY 194 N 1.28 -3.48 0.00 0.59 0.00 -1.26 -5.07 105.19 97.26 1ub1 n GLY 194 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.05 0.00 0.00 1.61 3.41 -1.26 -5.33 113.62 112.00 1ub1 n SER 195 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ub1 n SER 195 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ub1 n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49