#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 2.39 -0.22 0.00 0.04 -1.26 -5.08 135.00 130.88 1ub1 s PRO 73 Ca 0.00 0.74 -0.27 0.00 0.04 0.00 0.00 61.00 61.51 1ub1 s PRO 73 Cb 0.00 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.71 1ub1 s PRO 73 CO 0.00 -1.43 0.97 0.00 0.04 0.00 0.00 177.00 176.58 1ub1 s ALA 74 N -3.12 -1.93 -0.04 8.56 0.00 -1.26 -5.17 121.76 118.80 1ub1 s ALA 74 Ca 0.60 1.74 -0.05 0.00 0.00 0.00 0.00 51.96 54.25 1ub1 s ALA 74 Cb -0.14 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1ub1 s ALA 74 CO 0.54 -0.28 0.12 0.54 0.00 0.00 0.00 175.76 176.69 1ub1 s VAL 75 N -0.35 0.01 1.12 0.00 0.11 -1.26 -5.16 120.40 114.87 1ub1 s VAL 75 Ca 0.00 -0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 58.79 1ub1 s VAL 75 Cb -0.03 -0.20 0.27 0.00 -1.53 0.00 0.00 36.38 34.88 1ub1 s VAL 75 CO -0.02 -0.04 1.24 -2.16 -3.33 0.00 0.00 175.10 170.79 1ub1 s PRO 76 N -0.08 -0.62 0.21 1.54 0.04 -1.26 -5.10 135.00 129.74 1ub1 s PRO 76 Ca -0.01 -0.37 -0.16 0.00 0.04 0.00 0.00 61.00 60.49 1ub1 s PRO 76 Cb -0.02 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.85 1ub1 s PRO 76 CO 0.00 -3.26 0.52 -1.83 0.04 0.00 0.00 177.00 172.47 1ub1 s GLU 77 N -5.75 1.44 0.27 4.56 -1.05 -1.26 -5.18 118.70 111.73 1ub1 s GLU 77 Ca 0.75 -0.97 -0.20 0.00 -0.15 0.00 0.00 54.97 54.40 1ub1 s GLU 77 Cb -0.05 0.51 0.06 0.00 -0.44 0.00 0.00 34.13 34.21 1ub1 s GLU 77 CO 0.55 -0.61 0.90 0.00 0.95 0.00 0.00 175.26 177.05 1ub1 s ALA 78 N -3.91 -1.24 -0.24 -0.84 0.00 -1.26 -5.19 121.76 109.08 1ub1 s ALA 78 Ca 0.12 -0.43 -0.37 0.00 0.00 0.00 0.00 51.96 51.28 1ub1 s ALA 78 Cb -0.01 0.72 0.15 0.00 0.00 0.00 0.00 23.12 23.98 1ub1 s ALA 78 CO 0.01 -1.03 1.36 -1.54 0.00 0.00 0.00 175.76 174.56 1ub1 s SER 79 N -3.16 -0.03 0.25 0.00 1.04 -1.26 -5.19 113.70 105.35 1ub1 s SER 79 Ca 0.17 -0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.53 1ub1 s SER 79 Cb -0.04 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1ub1 s SER 79 CO 0.07 -0.06 0.35 0.00 0.98 0.00 0.00 173.24 174.58 1ub1 s ALA 80 N -2.11 0.47 -0.07 5.32 0.00 -1.26 -5.16 121.76 118.95 1ub1 s ALA 80 Ca 0.12 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1ub1 s ALA 80 Cb 0.00 1.21 0.02 0.00 0.00 0.00 0.00 23.12 24.35 1ub1 s ALA 80 CO -0.03 -0.75 -0.05 0.45 0.00 0.00 0.00 175.76 175.39 1ub1 s SER 81 N -3.11 1.47 0.83 0.00 0.15 -1.26 -5.14 113.70 106.63 1ub1 s SER 81 Ca 0.30 -0.17 -0.12 0.00 0.70 0.00 0.00 55.95 56.66 1ub1 s SER 81 Cb 0.02 -0.57 0.09 0.00 -1.71 0.00 0.00 66.02 63.85 1ub1 s SER 81 CO 0.12 -0.09 1.11 -2.16 1.20 0.00 0.00 173.24 173.41 1ub1 s PRO 82 N 1.33 1.85 -0.07 5.44 0.04 -1.26 -5.09 135.00 137.24 1ub1 s PRO 82 Ca -0.04 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 1ub1 s PRO 82 Cb -0.14 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.59 1ub1 s PRO 82 CO -0.03 -1.77 0.78 0.21 0.04 0.00 0.00 177.00 176.24 1ub1 s LYS 83 N -5.18 0.92 -0.13 4.56 2.20 -1.26 -5.07 119.74 115.78 1ub1 s LYS 83 Ca 0.61 0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 56.37 1ub1 s LYS 83 Cb -0.14 0.44 -0.07 0.00 -1.51 0.00 0.00 37.83 36.54 1ub1 s LYS 83 CO 0.54 -0.30 -0.14 1.04 -0.36 0.00 0.00 175.35 176.13 1ub1 n GLN 84 N 0.76 0.29 -2.76 4.03 3.00 -1.26 -5.03 117.38 116.41 1ub1 n GLN 84 Ca -0.16 0.10 -0.15 0.00 -0.01 0.00 0.00 57.00 56.78 1ub1 n GLN 84 Cb 0.58 -1.10 0.02 0.00 0.00 0.00 0.00 30.24 29.75 1ub1 n GLN 84 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1ub1 n ARG 85 N -3.25 -3.28 -4.15 -1.09 0.63 -1.26 -5.00 116.66 99.26 1ub1 n ARG 85 Ca -0.24 0.62 -0.34 0.00 -0.92 0.00 0.00 57.85 56.96 1ub1 n ARG 85 Cb 0.71 -4.86 -0.11 0.00 0.45 0.00 0.00 32.46 28.65 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 -5.30 3.85 -0.22 -0.14 3.00 -1.26 -5.07 118.95 113.81 1ub1 s ARG 86 Ca 0.20 -0.42 -0.04 0.00 -1.00 0.00 0.00 55.73 54.48 1ub1 s ARG 86 Cb -0.09 -3.10 0.11 0.00 0.00 0.00 0.00 34.95 31.87 1ub1 s ARG 86 CO 0.25 0.25 0.33 0.45 0.00 0.00 0.00 175.30 176.58 1ub1 s SER 87 N 0.41 0.48 0.37 -2.12 0.15 -1.26 -5.14 113.70 106.58 1ub1 s SER 87 Ca 0.00 0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 1ub1 s SER 87 Cb -0.13 0.92 -0.09 0.00 -1.71 0.00 0.00 66.02 65.00 1ub1 s SER 87 CO 0.01 -0.29 1.04 -0.63 1.20 0.00 0.00 173.24 174.57 1ub1 s ILE 88 N 2.49 3.77 0.00 6.45 -1.09 -1.26 -5.05 121.20 126.50 1ub1 s ILE 88 Ca 0.09 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1ub1 s ILE 88 Cb -0.15 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1ub1 s ILE 88 CO -0.14 0.07 0.00 0.00 -1.23 0.00 0.00 174.94 173.64 1ub1 n ILE 89 N 0.17 0.00 -3.79 2.92 3.06 -1.26 -5.15 119.36 115.31 1ub1 n ILE 89 Ca 0.04 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.19 1ub1 n ILE 89 Cb 0.49 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.62 1ub1 n ILE 89 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1ub1 s ARG 90 N 3.66 1.18 -0.28 9.51 0.52 -1.26 -5.18 118.95 127.11 1ub1 s ARG 90 Ca 0.00 -0.93 -0.37 0.00 -0.52 0.00 0.00 55.73 53.92 1ub1 s ARG 90 Cb 0.00 0.45 0.16 0.00 0.52 0.00 0.00 34.95 36.08 1ub1 s ARG 90 CO 0.00 -0.46 1.35 0.34 0.02 0.00 0.00 175.30 176.55 1ub1 s ASP 91 N -2.88 -0.03 -0.11 0.23 -1.08 -1.26 -5.18 116.67 106.36 1ub1 s ASP 91 Ca 0.09 0.01 -0.10 0.00 -0.52 0.00 0.00 52.55 52.03 1ub1 s ASP 91 Cb 0.02 0.03 0.03 0.00 -1.46 0.00 0.00 42.92 41.54 1ub1 s ASP 91 CO -0.05 -0.05 0.29 0.00 0.52 0.00 0.00 175.17 175.87 1ub1 s ARG 92 N -1.92 0.33 0.00 4.34 1.70 -1.26 -5.11 118.95 117.03 1ub1 s ARG 92 Ca 0.11 0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.78 1ub1 s ARG 92 Cb -0.01 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1ub1 s ARG 92 CO -0.04 -0.05 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 1ub1 n GLY 93 N 3.00 -0.22 0.13 3.88 0.00 -1.26 -5.06 105.19 105.66 1ub1 n GLY 93 Ca -0.13 0.68 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 1ub1 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ub1 h PRO 94 N 0.00 0.37 0.00 1.61 0.13 -2.05 -3.48 132.00 128.58 1ub1 h PRO 94 Ca 0.00 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1ub1 h PRO 94 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1ub1 h PRO 94 CO 0.00 1.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.79 1ub1 n MET 95 N -4.31 0.00 0.00 0.86 0.00 -1.26 -5.08 117.12 107.33 1ub1 n MET 95 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1ub1 n MET 95 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.82 1ub1 n MET 95 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 175.97 178.45 1ub1 n TYR 96 N 0.00 -0.84 -3.16 3.17 4.11 -1.26 -5.01 117.16 114.17 1ub1 n TYR 96 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.64 1ub1 n TYR 96 Cb 0.00 0.17 -0.06 0.00 -0.00 0.00 0.00 39.34 39.45 1ub1 n TYR 96 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1ub1 n ASP 97 N -1.87 3.52 -2.70 9.48 2.03 -1.26 -4.59 116.55 121.16 1ub1 n ASP 97 Ca 0.00 -3.45 -0.06 0.00 0.52 0.00 0.00 54.79 51.80 1ub1 n ASP 97 Cb 0.00 -0.61 0.08 0.00 -0.72 0.00 0.00 41.12 39.87 1ub1 n ASP 97 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ub1 n ASP 98 N 0.33 -1.86 0.06 1.67 2.03 -1.26 -4.98 116.55 112.54 1ub1 n ASP 98 Ca 0.29 -2.49 -0.03 0.00 0.52 0.00 0.00 54.79 53.08 1ub1 n ASP 98 Cb 0.44 1.28 -0.02 0.00 -0.72 0.00 0.00 41.12 42.10 1ub1 n ASP 98 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ub1 h PRO 99 N 3.15 -0.21 0.00 -0.67 0.13 -1.91 -3.49 132.00 129.00 1ub1 h PRO 99 Ca -0.21 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1ub1 h PRO 99 Cb 1.15 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ub1 h PRO 99 CO 0.03 -0.14 0.00 -2.37 -0.23 0.00 0.00 178.00 175.29 1ub1 n THR 100 N -3.97 0.00 -3.63 1.56 5.66 -1.26 -5.05 114.28 107.59 1ub1 n THR 100 Ca -0.03 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.58 1ub1 n THR 100 Cb 0.09 -0.19 -0.09 0.00 -1.55 0.00 0.00 70.33 68.59 1ub1 n THR 100 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1ub1 s LEU 101 N -6.50 5.56 -1.10 1.09 1.02 -1.26 -4.99 118.68 112.49 1ub1 s LEU 101 Ca 0.00 -2.01 -0.18 0.00 0.02 0.00 0.00 54.13 51.96 1ub1 s LEU 101 Cb 0.00 -1.95 -0.06 0.00 0.02 0.00 0.00 46.19 44.20 1ub1 s LEU 101 CO 0.00 -0.63 2.09 -0.81 0.02 0.00 0.00 176.35 177.02 1ub1 n PRO 102 N 4.73 2.16 -2.69 1.29 -0.04 -1.26 -4.09 135.00 135.11 1ub1 n PRO 102 Ca -0.05 -2.18 -0.04 0.00 -0.04 0.00 0.00 63.50 61.18 1ub1 n PRO 102 Cb 0.41 -3.07 0.12 0.00 -0.04 0.00 0.00 33.50 30.92 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 6.47 1.30 0.00 0.54 2.13 -1.26 -5.09 120.64 124.73 1ub1 n GLU 103 Ca 0.51 -1.56 0.00 0.00 0.66 0.00 0.00 57.16 56.78 1ub1 n GLU 103 Cb 0.39 0.16 0.00 0.00 0.27 0.00 0.00 31.44 32.26 1ub1 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ub1 n GLY 104 N -1.11 1.29 2.66 8.31 0.00 -1.26 -5.04 105.19 110.05 1ub1 n GLY 104 Ca -0.11 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1ub1 n GLY 104 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ub1 n TRP 105 N 0.00 0.57 -3.61 1.61 5.03 -1.26 -4.81 117.44 114.98 1ub1 n TRP 105 Ca 0.00 0.39 -0.14 0.00 3.03 0.00 0.00 57.50 60.78 1ub1 n TRP 105 Cb 0.00 -1.83 -0.06 0.00 -1.03 0.00 0.00 31.31 28.40 1ub1 n TRP 105 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 1ub1 s THR 106 N 6.28 0.04 -0.14 -0.99 -1.32 -1.11 -4.64 115.64 113.76 1ub1 s THR 106 Ca 1.02 -0.30 -0.15 0.00 -1.21 0.00 0.00 61.69 61.04 1ub1 s THR 106 Cb -1.03 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 68.97 1ub1 s THR 106 CO 0.42 -0.17 0.36 -0.60 -2.21 0.00 0.00 174.62 172.42 1ub1 s ARG 107 N -2.29 4.28 -0.12 7.08 3.00 -1.26 -0.75 118.95 128.90 1ub1 s ARG 107 Ca -0.06 0.22 0.02 0.00 -1.00 0.00 0.00 55.73 54.91 1ub1 s ARG 107 Cb -0.01 -3.43 -0.00 0.00 0.00 0.00 0.00 34.95 31.51 1ub1 s ARG 107 CO -0.01 0.22 -0.18 0.15 0.00 0.00 0.00 175.30 175.48 1ub1 s LYS 108 N 0.50 3.20 -0.01 5.12 3.01 1.10 -4.58 119.74 128.08 1ub1 s LYS 108 Ca 0.20 -0.78 -0.08 0.00 -1.01 0.00 0.00 55.97 54.30 1ub1 s LYS 108 Cb -0.14 -2.49 -0.05 0.00 -1.01 0.00 0.00 37.83 34.15 1ub1 s LYS 108 CO 0.06 0.15 0.26 -1.17 0.51 0.00 0.00 175.35 175.16 1ub1 s LEU 109 N 0.47 4.39 -0.18 3.17 0.20 -1.26 0.39 118.68 125.85 1ub1 s LEU 109 Ca -0.13 0.59 -0.28 0.00 0.69 0.00 0.00 54.13 55.00 1ub1 s LEU 109 Cb -0.17 -2.56 0.10 0.00 -0.43 0.00 0.00 46.19 43.14 1ub1 s LEU 109 CO 0.05 0.29 0.88 -0.54 -0.29 0.00 0.00 176.35 176.74 1ub1 s LYS 110 N -1.55 0.73 -0.16 1.98 1.02 0.83 -4.91 119.74 117.68 1ub1 s LYS 110 Ca 0.25 0.44 -0.08 0.00 0.02 0.00 0.00 55.97 56.60 1ub1 s LYS 110 Cb -0.13 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 1ub1 s LYS 110 CO 0.14 -0.17 0.12 1.14 -0.92 0.00 0.00 175.35 175.65 1ub1 s GLN 111 N -0.52 3.76 -1.03 1.68 -2.07 -1.26 0.20 119.66 120.42 1ub1 s GLN 111 Ca -0.02 -0.21 -0.05 0.00 -1.82 0.00 0.00 55.36 53.26 1ub1 s GLN 111 Cb -0.02 -3.26 0.27 0.00 -1.09 0.00 0.00 33.01 28.91 1ub1 s GLN 111 CO 0.01 0.53 1.08 0.54 -1.32 0.00 0.00 175.29 176.14 1ub1 n ARG 112 N 2.76 3.44 -1.53 9.60 1.74 -1.26 -4.94 116.66 126.47 1ub1 n ARG 112 Ca -0.18 -4.50 -0.37 0.00 -0.77 0.00 0.00 57.85 52.03 1ub1 n ARG 112 Cb 0.53 -2.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.43 1ub1 n ARG 112 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ub1 n LYS 113 N 2.19 1.51 -2.99 5.56 4.81 -1.26 -4.45 118.16 123.53 1ub1 n LYS 113 Ca 0.24 -2.10 -0.14 0.00 -0.87 0.00 0.00 58.31 55.44 1ub1 n LYS 113 Cb 0.37 -3.26 0.02 0.00 0.02 0.00 0.00 35.03 32.18 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 10.54 -0.42 -0.71 3.14 2.88 -1.26 -5.05 113.62 122.74 1ub1 n SER 114 Ca 0.47 -3.25 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 1ub1 n SER 114 Cb 0.43 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 0.28 2.34 0.00 0.46 0.00 -1.26 -5.08 105.19 101.93 1ub1 n GLY 115 Ca 0.17 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.66 1.61 5.12 -1.26 -4.48 116.66 114.00 1ub1 n ARG 116 Ca 0.00 0.38 -0.29 0.00 -1.93 0.00 0.00 57.85 56.01 1ub1 n ARG 116 Cb 0.00 -1.26 -0.12 0.00 -1.16 0.00 0.00 32.46 29.92 1ub1 n ARG 116 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ub1 s SER 117 N -2.25 3.36 0.00 0.55 0.15 -1.26 -5.10 113.70 109.15 1ub1 s SER 117 Ca 0.00 -2.80 0.00 0.00 0.70 0.00 0.00 55.95 53.85 1ub1 s SER 117 Cb 0.00 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1ub1 s SER 117 CO 0.00 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.21 1ub1 n ALA 118 N 3.29 0.00 0.00 5.45 0.00 -1.26 -4.87 120.51 123.12 1ub1 n ALA 118 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ub1 n ALA 118 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 3.25 1.92 3.82 0.00 0.00 -1.26 -5.10 105.19 107.82 1ub1 n GLY 119 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 4.21 0.20 1.61 -0.14 -1.26 -5.07 119.74 119.28 1ub1 s LYS 120 Ca 0.00 0.87 -0.02 0.00 -1.36 0.00 0.00 55.97 55.46 1ub1 s LYS 120 Cb 0.00 -2.69 0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1ub1 s LYS 120 CO 0.00 0.28 0.27 0.66 -0.76 0.00 0.00 175.35 175.80 1ub1 n TYR 121 N 0.29 -3.65 -3.81 3.18 4.01 -1.26 -4.34 117.16 111.57 1ub1 n TYR 121 Ca 0.00 -0.33 -0.12 0.00 -0.16 0.00 0.00 57.90 57.29 1ub1 n TYR 121 Cb 0.52 -0.20 -0.09 0.00 -0.31 0.00 0.00 39.34 39.26 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 -2.03 -0.07 0.02 7.72 -1.08 0.52 -4.71 116.67 117.04 1ub1 s ASP 122 Ca 0.16 -0.13 -0.01 0.00 -0.52 0.00 0.00 52.55 52.06 1ub1 s ASP 122 Cb -0.01 0.28 -0.04 0.00 -1.46 0.00 0.00 42.92 41.69 1ub1 s ASP 122 CO 0.11 -0.46 0.14 -0.69 0.52 0.00 0.00 175.17 174.79 1ub1 s VAL 123 N -1.72 5.08 -0.08 1.11 1.01 -1.26 0.29 120.40 124.83 1ub1 s VAL 123 Ca -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1ub1 s VAL 123 Cb -0.05 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1ub1 s VAL 123 CO 0.01 0.26 -0.03 -0.47 0.00 0.00 0.00 175.10 174.87 1ub1 s TYR 124 N -1.34 0.91 -0.36 5.22 6.14 1.26 -4.32 117.35 124.86 1ub1 s TYR 124 Ca 0.28 -0.33 -0.15 0.00 0.64 0.00 0.00 57.07 57.51 1ub1 s TYR 124 Cb -0.12 -0.90 -0.01 0.00 0.42 0.00 0.00 41.96 41.35 1ub1 s TYR 124 CO 0.20 -0.35 0.36 -0.51 0.64 0.00 0.00 175.55 175.89 1ub1 s LEU 125 N 1.70 4.54 -0.21 6.97 1.43 0.23 0.35 118.68 133.70 1ub1 s LEU 125 Ca 0.02 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 1ub1 s LEU 125 Cb -0.13 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 1ub1 s LEU 125 CO -0.05 -0.37 0.47 -0.63 0.23 0.00 0.00 176.35 176.00 1ub1 s ILE 126 N 2.00 5.14 0.96 -0.59 1.01 0.08 0.20 121.20 130.00 1ub1 s ILE 126 Ca 0.11 0.85 -0.16 0.00 0.00 0.00 0.00 60.65 61.45 1ub1 s ILE 126 Cb -0.17 -3.80 0.19 0.00 0.01 0.00 0.00 42.46 38.69 1ub1 s ILE 126 CO 0.12 0.19 1.28 0.54 0.00 0.00 0.00 174.94 177.07 1ub1 s ASN 127 N 1.17 3.15 0.00 3.58 2.20 0.30 -2.76 114.94 122.57 1ub1 s ASN 127 Ca 0.22 0.40 0.00 0.00 -0.94 0.00 0.00 52.86 52.54 1ub1 s ASN 127 Cb -0.15 -0.55 0.00 0.00 -2.00 0.00 0.00 41.25 38.55 1ub1 s ASN 127 CO 0.09 -2.73 0.54 -0.81 -2.94 0.00 0.00 177.10 171.26 1ub1 n PRO 128 N -3.79 0.75 -0.00 3.55 -0.04 -1.26 -1.89 135.00 132.33 1ub1 n PRO 128 Ca 0.14 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 1ub1 n PRO 128 Cb 0.60 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.15 5.30 -0.06 0.54 6.02 -1.26 -4.99 117.38 122.78 1ub1 n GLN 129 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ub1 n GLN 129 Cb 0.11 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 30.68 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 1.24 0.95 3.70 1.08 0.00 -0.79 -5.07 105.19 106.30 1ub1 n GLY 130 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.94 4.29 -0.00 1.61 2.36 -1.26 -4.82 119.74 120.98 1ub1 s LYS 131 Ca 0.00 0.47 -0.11 0.00 -2.55 0.00 0.00 55.97 53.78 1ub1 s LYS 131 Cb 0.00 -3.49 -0.05 0.00 -1.05 0.00 0.00 37.83 33.24 1ub1 s LYS 131 CO 0.00 0.02 0.34 0.00 1.55 0.00 0.00 175.35 177.26 1ub1 s ALA 132 N 1.06 3.76 -0.14 3.13 0.00 -1.26 0.11 121.76 128.42 1ub1 s ALA 132 Ca 0.26 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1ub1 s ALA 132 Cb -0.15 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.74 1ub1 s ALA 132 CO 0.11 0.55 -0.22 -0.06 0.00 0.00 0.00 175.76 176.14 1ub1 s PHE 133 N -1.17 2.67 -2.86 0.00 0.08 0.55 -4.83 117.98 112.41 1ub1 s PHE 133 Ca 0.25 -1.28 0.24 0.00 0.12 0.00 0.00 56.93 56.25 1ub1 s PHE 133 Cb -0.15 -1.81 0.26 0.00 -0.57 0.00 0.00 43.02 40.76 1ub1 s PHE 133 CO 0.13 -0.58 1.30 0.54 -0.10 0.00 0.00 175.22 176.52 1ub1 n ARG 134 N 4.00 2.37 -3.91 0.44 1.74 -1.26 0.78 116.66 120.81 1ub1 n ARG 134 Ca -0.20 -2.01 -0.11 0.00 -0.77 0.00 0.00 57.85 54.77 1ub1 n ARG 134 Cb 0.52 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.36 1ub1 n ARG 134 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ub1 s SER 135 N -1.87 0.09 0.25 0.55 1.04 -1.26 -4.86 113.70 107.63 1ub1 s SER 135 Ca 0.31 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.55 1ub1 s SER 135 Cb 0.21 0.11 0.29 0.00 0.10 0.00 0.00 66.02 66.73 1ub1 s SER 135 CO 0.31 -0.19 1.62 0.50 0.98 0.00 0.00 173.24 176.46 1ub1 h LYS 136 N 5.21 0.45 -0.87 4.02 3.64 -1.91 -2.79 116.57 124.31 1ub1 h LYS 136 Ca -0.29 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 1ub1 h LYS 136 Cb 1.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1ub1 h LYS 136 CO 0.44 0.79 0.56 -0.24 -2.27 0.00 0.00 179.45 178.72 1ub1 h VAL 137 N 0.37 1.13 0.00 2.00 3.04 -2.01 0.13 116.25 120.91 1ub1 h VAL 137 Ca 0.03 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.34 1ub1 h VAL 137 Cb 0.89 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.12 1ub1 h VAL 137 CO 0.07 0.20 -0.05 -0.08 -1.01 0.00 0.00 177.57 176.70 1ub1 h GLU 138 N 1.08 0.00 -0.26 4.17 4.57 -1.92 -2.53 114.58 119.69 1ub1 h GLU 138 Ca 0.35 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.57 1ub1 h GLU 138 Cb 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1ub1 h GLU 138 CO -0.12 0.05 0.01 1.25 -1.18 0.00 0.00 179.01 179.02 1ub1 h LEU 139 N 0.00 -0.08 -0.24 1.64 5.85 -0.63 -1.91 115.31 119.94 1ub1 h LEU 139 Ca -0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ub1 h LEU 139 Cb 0.27 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1ub1 h LEU 139 CO 0.01 -0.01 0.14 0.40 -0.34 0.00 0.00 178.44 178.64 1ub1 h ILE 140 N 0.09 1.03 -0.93 4.05 5.03 -1.48 2.90 117.51 128.20 1ub1 h ILE 140 Ca 0.12 -0.10 0.18 0.00 -0.12 0.00 0.00 64.86 64.94 1ub1 h ILE 140 Cb 0.15 0.72 -0.17 0.00 -3.03 0.00 0.00 36.82 34.49 1ub1 h ILE 140 CO -0.20 0.05 -0.25 0.00 -0.68 0.00 0.00 178.15 177.07 1ub1 h ALA 141 N 1.10 0.55 0.13 1.87 0.00 -1.35 2.93 119.26 124.49 1ub1 h ALA 141 Ca 0.09 0.35 -0.30 0.00 0.00 0.00 0.00 54.91 55.05 1ub1 h ALA 141 Cb -0.01 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ub1 h ALA 141 CO -0.04 -0.42 -1.51 1.88 0.00 0.00 0.00 179.25 179.16 1ub1 h TYR 142 N -0.01 0.51 -0.03 0.00 0.05 -0.89 -3.32 116.97 113.28 1ub1 h TYR 142 Ca 0.43 -0.37 0.01 0.00 0.05 0.00 0.00 58.73 58.85 1ub1 h TYR 142 Cb 0.67 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 1ub1 h TYR 142 CO -0.74 1.59 0.04 0.35 -1.05 0.00 0.00 178.16 178.35 1ub1 h PHE 143 N -0.20 0.00 -0.86 4.88 3.57 0.65 0.56 116.94 125.54 1ub1 h PHE 143 Ca -0.32 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.40 1ub1 h PHE 143 Cb 1.85 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.54 1ub1 h PHE 143 CO 0.12 0.00 0.59 1.49 -2.23 0.00 0.00 178.31 178.28 1ub1 h GLU 144 N 0.00 0.25 0.00 1.11 4.22 0.51 -3.36 114.58 117.31 1ub1 h GLU 144 Ca 0.01 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.35 1ub1 h GLU 144 Cb 0.09 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 1ub1 h GLU 144 CO -0.00 0.16 0.08 0.36 -2.18 0.00 0.00 179.01 177.43 1ub1 n LYS 145 N -4.43 0.09 -0.00 1.92 2.85 -0.50 -4.99 118.16 113.10 1ub1 n LYS 145 Ca 0.18 -0.63 0.04 0.00 -1.05 0.00 0.00 58.31 56.85 1ub1 n LYS 145 Cb 0.76 -0.11 -0.05 0.00 -0.65 0.00 0.00 35.03 34.98 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 0.78 0.00 -1.02 0.58 3.14 0.18 -4.99 118.33 117.00 1ub1 n VAL 146 Ca -0.04 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1ub1 n VAL 146 Cb 0.75 0.82 0.00 0.00 -1.06 0.00 0.00 33.84 34.35 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 1.41 1.17 3.10 7.55 0.00 -1.26 -4.82 105.19 112.33 1ub1 n GLY 147 Ca 0.01 -0.44 -0.57 0.00 0.00 0.00 0.00 46.02 45.02 1ub1 n GLY 147 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ub1 n ASP 148 N 0.99 0.82 -0.71 1.61 9.92 -1.26 -4.75 116.55 123.17 1ub1 n ASP 148 Ca 0.00 0.78 0.12 0.00 -0.53 0.00 0.00 54.79 55.16 1ub1 n ASP 148 Cb 0.25 -0.81 0.34 0.00 -0.64 0.00 0.00 41.12 40.27 1ub1 n ASP 148 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1ub1 n THR 149 N 5.08 0.17 0.00 -3.53 -1.04 -1.26 -4.78 114.28 108.92 1ub1 n THR 149 Ca 0.42 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ub1 n THR 149 Cb -0.04 0.70 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 1ub1 n THR 149 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ub1 n SER 150 N 0.66 0.00 -4.55 8.00 2.88 -1.26 -5.08 113.62 114.27 1ub1 n SER 150 Ca 0.17 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.35 1ub1 n SER 150 Cb 0.43 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 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 3.25 0.34 2.46 2.96 -1.26 -4.75 118.68 121.68 1ub1 s LEU 151 Ca 0.00 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1ub1 s LEU 151 Cb 0.00 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 1ub1 s LEU 151 CO 0.00 -2.33 0.08 -1.81 -1.32 0.00 0.00 176.35 170.97 1ub1 s ASP 152 N 7.24 2.35 0.00 3.68 1.01 -1.26 -4.76 116.67 124.94 1ub1 s ASP 152 Ca 0.62 -1.46 0.23 0.00 0.71 0.00 0.00 52.55 52.64 1ub1 s ASP 152 Cb -0.10 0.11 1.13 0.00 1.01 0.00 0.00 42.92 45.08 1ub1 s ASP 152 CO 0.13 -0.71 1.74 -0.81 0.21 0.00 0.00 175.17 175.73 1ub1 n PRO 153 N -0.73 0.29 0.02 8.23 -0.04 -1.26 0.14 135.00 141.66 1ub1 n PRO 153 Ca -0.03 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1ub1 n PRO 153 Cb 0.66 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.54 1ub1 n PRO 153 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ub1 n ASN 154 N -1.30 0.44 -0.34 3.54 0.23 -1.26 -4.23 115.26 112.34 1ub1 n ASN 154 Ca 0.10 -0.12 0.03 0.00 -0.53 0.00 0.00 54.58 54.06 1ub1 n ASN 154 Cb 0.19 1.26 0.04 0.00 -2.08 0.00 0.00 39.78 39.19 1ub1 n ASN 154 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1ub1 n ASP 155 N -2.16 0.75 -3.17 0.53 2.03 -0.89 -5.09 116.55 108.55 1ub1 n ASP 155 Ca -0.01 -2.29 -0.09 0.00 0.52 0.00 0.00 54.79 52.92 1ub1 n ASP 155 Cb 0.50 -0.26 0.09 0.00 -0.72 0.00 0.00 41.12 40.73 1ub1 n ASP 155 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1ub1 n PHE 156 N -0.45 -2.07 0.01 -0.67 1.16 0.37 -4.63 117.46 111.18 1ub1 n PHE 156 Ca 0.05 -0.15 0.00 0.00 -1.87 0.00 0.00 57.45 55.48 1ub1 n PHE 156 Cb 0.67 -0.56 0.00 0.00 -1.61 0.00 0.00 39.48 37.98 1ub1 n PHE 156 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1ub1 n ASP 157 N -2.47 0.06 -0.33 5.98 2.03 -1.26 -5.01 116.55 115.56 1ub1 n ASP 157 Ca 0.04 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1ub1 n ASP 157 Cb 0.18 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1ub1 n ASP 157 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1ub1 n PHE 158 N -2.94 0.00 0.00 -0.67 -1.74 -1.26 -4.63 117.46 106.22 1ub1 n PHE 158 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1ub1 n PHE 158 Cb 0.36 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.36 1ub1 n PHE 158 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1ub1 n THR 159 N 0.29 0.00 -0.17 1.97 -2.24 -1.26 -0.34 114.28 112.53 1ub1 n THR 159 Ca 0.00 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.07 1ub1 n THR 159 Cb 0.00 -0.40 0.67 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.26 -0.00 2.28 3.04 -1.90 2.16 116.25 122.08 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 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 29.64 1ub1 h VAL 160 CO 0.00 0.00 -0.07 1.07 -1.01 0.00 0.00 177.57 177.56 1ub1 n THR 161 N -3.74 1.93 0.00 3.17 5.66 -1.26 -4.71 114.28 115.34 1ub1 n THR 161 Ca 0.20 -2.40 0.00 0.00 -3.05 0.00 0.00 64.05 58.80 1ub1 n THR 161 Cb 1.15 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 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 -1.39 1.86 0.18 1.09 0.00 0.60 -4.84 105.19 102.69 1ub1 n GLY 162 Ca 0.16 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.52 1.61 2.47 -0.32 -3.39 114.38 109.24 1ub1 h ARG 163 Ca 0.00 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.07 1ub1 h ARG 163 Cb 0.00 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.25 1ub1 h ARG 163 CO 0.00 0.34 2.22 0.41 0.56 0.00 0.00 179.97 183.50 1ub1 n GLY 164 N 0.79 2.68 3.59 0.04 0.00 0.54 -4.94 105.19 107.89 1ub1 n GLY 164 Ca 0.01 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 4.35 6.62 -0.05 1.61 1.04 -1.26 -4.16 113.70 121.84 1ub1 s SER 165 Ca 0.55 0.45 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 1ub1 s SER 165 Cb 0.05 -2.45 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 1ub1 s SER 165 CO 0.06 -0.88 0.37 1.55 0.98 0.00 0.00 173.24 175.33 1ub1 h PRO 166 N 8.60 -0.29 0.00 4.02 0.13 -1.92 -3.50 132.00 139.04 1ub1 h PRO 166 Ca -0.24 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1ub1 h PRO 166 Cb 1.08 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ub1 h PRO 166 CO 0.98 -0.19 0.00 0.45 -0.23 0.00 0.00 178.00 179.01 1ub1 n SER 167 N -4.63 0.00 -0.98 1.44 2.88 -1.26 -5.09 113.62 105.98 1ub1 n SER 167 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1ub1 n SER 167 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1ub1 n SER 167 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ub1 n ARG 168 N 0.00 -2.72 0.00 -1.46 5.12 -1.26 -5.07 116.66 111.27 1ub1 n ARG 168 Ca 0.00 2.06 0.00 0.00 -1.93 0.00 0.00 57.85 57.98 1ub1 n ARG 168 Cb 0.00 -2.43 0.00 0.00 -1.16 0.00 0.00 32.46 28.87 1ub1 n ARG 168 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1ub1 n ARG 169 N -1.49 0.00 -3.62 5.56 -4.01 -1.26 -5.11 116.66 106.73 1ub1 n ARG 169 Ca 0.00 0.00 -0.14 0.00 -1.04 0.00 0.00 57.85 56.67 1ub1 n ARG 169 Cb 0.13 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.49 1ub1 n ARG 169 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1ub1 s GLU 170 N -4.46 0.96 -0.06 2.89 2.56 -1.26 -5.16 118.70 114.16 1ub1 s GLU 170 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.97 54.72 1ub1 s GLU 170 Cb 0.00 0.43 0.04 0.00 2.00 0.00 0.00 34.13 36.60 1ub1 s GLU 170 CO 0.00 -0.33 0.13 1.14 -0.56 0.00 0.00 175.26 175.64 1ub1 s GLN 171 N -2.19 0.04 -0.31 4.30 -2.07 -1.26 -5.10 119.66 113.07 1ub1 s GLN 171 Ca -0.07 0.41 -0.10 0.00 -1.82 0.00 0.00 55.36 53.78 1ub1 s GLN 171 Cb -0.01 -0.25 0.19 0.00 -1.09 0.00 0.00 33.01 31.85 1ub1 s GLN 171 CO 0.00 -0.23 1.04 0.50 -1.32 0.00 0.00 175.29 175.28 1ub1 s ARG 172 N 1.60 0.17 0.61 9.60 3.52 -1.26 -5.17 118.95 128.02 1ub1 s ARG 172 Ca -0.04 0.04 -0.15 0.00 -0.13 0.00 0.00 55.73 55.45 1ub1 s ARG 172 Cb -0.12 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.28 1ub1 s ARG 172 CO -0.05 -0.28 1.05 -1.25 -0.81 0.00 0.00 175.30 173.96 1ub1 s PRO 173 N 2.49 3.31 0.98 5.12 0.04 -1.26 -5.06 135.00 140.62 1ub1 s PRO 173 Ca 0.22 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 1ub1 s PRO 173 Cb 0.00 -2.03 0.24 0.00 0.04 0.00 0.00 34.50 32.75 1ub1 s PRO 173 CO -0.19 -0.81 1.08 -0.35 0.04 0.00 0.00 177.00 176.77 1ub1 n PRO 174 N -2.21 -2.03 -3.22 0.56 -0.04 -1.26 -5.10 135.00 121.70 1ub1 n PRO 174 Ca 0.08 -1.70 0.04 0.00 -0.04 0.00 0.00 63.50 61.88 1ub1 n PRO 174 Cb 0.53 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 -5.41 0.24 0.16 0.54 2.47 -1.26 -5.18 119.74 111.31 1ub1 s LYS 175 Ca 0.65 0.50 -0.17 0.00 -1.56 0.00 0.00 55.97 55.39 1ub1 s LYS 175 Cb -0.04 0.28 0.03 0.00 -1.46 0.00 0.00 37.83 36.65 1ub1 s LYS 175 CO 0.48 -0.20 0.45 -1.59 0.16 0.00 0.00 175.35 174.65 1ub1 s LYS 176 N 2.74 1.21 -0.29 4.03 -2.85 -1.26 -5.17 119.74 118.16 1ub1 s LYS 176 Ca 0.01 -0.79 -0.14 0.00 -1.00 0.00 0.00 55.97 54.05 1ub1 s LYS 176 Cb -0.09 0.49 0.11 0.00 -2.06 0.00 0.00 37.83 36.28 1ub1 s LYS 176 CO -0.14 -0.49 0.75 0.00 0.10 0.00 0.00 175.35 175.57 1ub1 s ALA 177 N -3.84 -2.07 0.35 0.59 0.00 -1.26 -5.17 121.76 110.36 1ub1 s ALA 177 Ca 0.06 2.34 0.07 0.00 0.00 0.00 0.00 51.96 54.43 1ub1 s ALA 177 Cb 0.01 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1ub1 s ALA 177 CO -0.08 -0.58 0.30 -1.59 0.00 0.00 0.00 175.76 173.81 1ub1 s LYS 178 N 2.01 2.69 -0.39 0.00 0.00 -1.26 -5.10 119.74 117.70 1ub1 s LYS 178 Ca -0.08 -1.33 -0.03 0.00 0.00 0.00 0.00 55.97 54.53 1ub1 s LYS 178 Cb -0.07 -2.46 0.20 0.00 0.00 0.00 0.00 37.83 35.51 1ub1 s LYS 178 CO -0.19 0.06 0.96 -1.54 0.00 0.00 0.00 175.35 174.65 1ub1 s SER 179 N -4.01 -0.68 0.75 0.03 1.04 -1.26 -5.16 113.70 104.41 1ub1 s SER 179 Ca 0.42 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 1ub1 s SER 179 Cb -0.05 0.88 0.04 0.00 0.10 0.00 0.00 66.02 66.99 1ub1 s SER 179 CO 0.27 -0.04 1.08 -2.16 0.98 0.00 0.00 173.24 173.37 1ub1 s PRO 180 N 1.19 2.48 0.21 4.02 0.04 -1.26 -5.08 135.00 136.61 1ub1 s PRO 180 Ca 0.23 0.78 -0.23 0.00 0.04 0.00 0.00 61.00 61.83 1ub1 s PRO 180 Cb 0.07 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.70 1ub1 s PRO 180 CO -0.10 -1.38 0.77 -1.59 0.04 0.00 0.00 177.00 174.75 1ub1 s LYS 181 N -5.11 1.51 -0.30 4.56 -2.85 -1.26 -5.16 119.74 111.13 1ub1 s LYS 181 Ca 0.59 -0.79 -0.08 0.00 -1.00 0.00 0.00 55.97 54.70 1ub1 s LYS 181 Cb -0.14 0.54 0.16 0.00 -2.06 0.00 0.00 37.83 36.33 1ub1 s LYS 181 CO 0.55 -0.69 0.70 0.45 0.10 0.00 0.00 175.35 176.45 1ub1 s SER 182 N -2.88 -1.13 1.07 0.03 0.15 -1.26 -5.17 113.70 104.51 1ub1 s SER 182 Ca 0.10 1.17 -0.10 0.00 0.70 0.00 0.00 55.95 57.81 1ub1 s SER 182 Cb -0.04 2.13 0.14 0.00 -1.71 0.00 0.00 66.02 66.55 1ub1 s SER 182 CO 0.02 -0.21 0.66 -0.81 1.20 0.00 0.00 173.24 174.10 1ub1 n PRO 183 N 5.39 -1.43 -3.62 5.44 -0.04 -1.26 -5.11 135.00 134.37 1ub1 n PRO 183 Ca -0.07 -1.04 -0.03 0.00 -0.04 0.00 0.00 63.50 62.31 1ub1 n PRO 183 Cb 0.50 -0.82 -0.03 0.00 -0.04 0.00 0.00 33.50 33.11 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 -4.09 -0.11 0.00 0.55 0.00 -1.26 -5.19 107.32 97.23 1ub1 s GLY 184 Ca 0.40 2.23 0.00 0.00 0.00 0.00 0.00 44.72 47.35 1ub1 s GLY 184 CO 0.29 0.85 0.00 -1.14 0.00 0.00 0.00 173.10 173.10 1ub1 n SER 185 N 0.26 0.00 -3.71 1.64 3.41 -1.26 -5.19 113.62 108.78 1ub1 n SER 185 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1ub1 n SER 185 Cb 0.58 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 1ub1 n SER 185 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ub1 s GLY 186 N 0.00 -0.19 0.00 5.00 0.00 -1.26 -5.17 107.32 105.69 1ub1 s GLY 186 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1ub1 s GLY 186 CO 0.00 -0.13 0.00 -2.13 0.00 0.00 0.00 173.10 170.84 1ub1 n ARG 187 N 0.46 0.00 0.00 2.90 3.00 -1.26 -5.17 116.66 116.59 1ub1 n ARG 187 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1ub1 n ARG 187 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1ub1 n ARG 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ub1 n GLY 188 N -0.05 2.39 0.00 5.14 0.00 -1.26 -5.18 105.19 106.23 1ub1 n GLY 188 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 3.29 -0.90 1.61 1.74 -1.26 -5.18 116.66 115.96 1ub1 n ARG 189 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ub1 n ARG 189 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ub1 n ARG 189 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ub1 n GLY 190 N 4.33 0.58 3.75 -0.13 0.00 -1.26 -5.16 105.19 107.30 1ub1 n GLY 190 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1ub1 n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ub1 s ARG 191 N -0.36 3.01 0.00 1.61 1.81 -1.26 -5.06 118.95 118.70 1ub1 s ARG 191 Ca 0.00 -0.48 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 1ub1 s ARG 191 Cb 0.00 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.68 1ub1 s ARG 191 CO 0.00 0.66 0.24 -0.35 -0.68 0.00 0.00 175.30 175.17 1ub1 n PRO 192 N 1.44 0.00 0.13 3.54 -0.04 -1.26 -5.02 135.00 133.79 1ub1 n PRO 192 Ca -0.15 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1ub1 n PRO 192 Cb 0.53 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.95 0.00 0.00 0.54 4.81 -1.26 -5.15 118.16 115.16 1ub1 n LYS 193 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ub1 n LYS 193 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ub1 n LYS 193 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ub1 n GLY 194 N -1.36 0.76 2.76 3.14 0.00 -1.26 -4.98 105.19 104.24 1ub1 n GLY 194 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 1ub1 n GLY 194 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ub1 s SER 195 N -4.00 1.56 0.00 1.61 1.04 -1.26 -5.30 113.70 107.34 1ub1 s SER 195 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1ub1 s SER 195 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1ub1 s SER 195 CO 0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46