#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub1 h PRO 73 N 0.00 -0.02 -2.22 0.00 0.13 -2.15 -3.50 132.00 124.24 1ub1 h PRO 73 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1ub1 h PRO 73 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1ub1 h PRO 73 CO 0.00 -0.01 -0.68 0.00 -0.23 0.00 0.00 178.00 177.08 1ub1 n ALA 74 N -2.04 -1.79 -3.64 -0.56 0.00 -1.26 -5.07 120.51 106.16 1ub1 n ALA 74 Ca -0.00 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 1ub1 n ALA 74 Cb 0.01 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 1ub1 n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ub1 s VAL 75 N -4.41 0.00 0.64 0.00 0.11 -1.26 -5.18 120.40 110.30 1ub1 s VAL 75 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 1ub1 s VAL 75 Cb 0.00 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.00 1ub1 s VAL 75 CO 0.00 0.00 0.71 -0.81 -3.33 0.00 0.00 175.10 171.67 1ub1 n PRO 76 N 1.97 -1.51 0.00 1.54 -0.04 -1.26 -5.10 135.00 130.61 1ub1 n PRO 76 Ca -0.12 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1ub1 n PRO 76 Cb 0.56 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 1ub1 n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ub1 n GLU 77 N -3.05 0.00 -0.81 0.54 0.00 -1.26 -5.15 120.64 110.91 1ub1 n GLU 77 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1ub1 n GLU 77 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.78 1ub1 n GLU 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ub1 n ALA 78 N -0.33 -2.78 -3.64 4.31 0.00 -1.26 -5.12 120.51 111.69 1ub1 n ALA 78 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ub1 n ALA 78 Cb 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 1ub1 n ALA 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ub1 s SER 79 N -0.24 -0.09 0.00 0.00 0.15 -1.26 -5.16 113.70 107.10 1ub1 s SER 79 Ca 0.00 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1ub1 s SER 79 Cb 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1ub1 s SER 79 CO 0.00 -0.39 0.00 0.00 1.20 0.00 0.00 173.24 174.05 1ub1 n ALA 80 N -0.44 -1.07 -2.72 5.45 0.00 -1.26 -5.08 120.51 115.40 1ub1 n ALA 80 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1ub1 n ALA 80 Cb 0.62 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.61 1ub1 n ALA 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ub1 s SER 81 N -2.18 -0.18 1.01 0.00 1.04 -1.26 -5.17 113.70 106.95 1ub1 s SER 81 Ca 0.00 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 1ub1 s SER 81 Cb 0.00 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1ub1 s SER 81 CO 0.00 -0.02 0.10 -0.81 0.98 0.00 0.00 173.24 173.49 1ub1 n PRO 82 N 3.63 -0.63 -2.65 4.02 -0.04 -1.26 -5.03 135.00 133.04 1ub1 n PRO 82 Ca 0.05 -0.15 -0.07 0.00 -0.04 0.00 0.00 63.50 63.29 1ub1 n PRO 82 Cb 0.64 -0.12 0.04 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 -1.49 2.07 -1.65 0.54 2.85 -1.26 -5.10 118.16 114.11 1ub1 n LYS 83 Ca 0.01 -3.64 0.00 0.00 -1.05 0.00 0.00 58.31 53.64 1ub1 n LYS 83 Cb 0.05 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 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 -0.55 -4.55 -0.10 -1.58 1.13 -1.26 -4.72 117.38 105.76 1ub1 n GLN 84 Ca 0.15 3.45 0.12 0.00 -1.94 0.00 0.00 57.00 58.78 1ub1 n GLN 84 Cb 0.83 -4.09 0.29 0.00 0.11 0.00 0.00 30.24 27.37 1ub1 n GLN 84 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1ub1 n ARG 85 N -1.77 2.12 -1.68 -1.09 3.00 -1.26 -4.97 116.66 111.02 1ub1 n ARG 85 Ca 0.00 -1.67 -0.64 0.00 -0.00 0.00 0.00 57.85 55.54 1ub1 n ARG 85 Cb 0.25 -1.46 -0.09 0.00 0.00 0.00 0.00 32.46 31.16 1ub1 n ARG 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ub1 n ARG 86 N 0.92 0.14 -4.46 -0.14 0.63 -1.26 -4.93 116.66 107.55 1ub1 n ARG 86 Ca 0.17 0.05 -0.23 0.00 -0.92 0.00 0.00 57.85 56.92 1ub1 n ARG 86 Cb 0.48 -1.57 -0.10 0.00 0.45 0.00 0.00 32.46 31.71 1ub1 n ARG 86 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ub1 s SER 87 N 2.18 3.26 -0.03 6.15 0.15 -1.26 -5.15 113.70 119.01 1ub1 s SER 87 Ca 1.00 -1.13 0.05 0.00 0.70 0.00 0.00 55.95 56.57 1ub1 s SER 87 Cb -1.38 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 1ub1 s SER 87 CO 0.73 -0.17 -0.16 -0.63 1.20 0.00 0.00 173.24 174.20 1ub1 s ILE 88 N -2.74 1.33 0.37 6.45 1.09 -1.26 -5.09 121.20 121.35 1ub1 s ILE 88 Ca 0.30 -0.69 0.08 0.00 -1.10 0.00 0.00 60.65 59.24 1ub1 s ILE 88 Cb 0.00 -1.13 -0.06 0.00 -1.06 0.00 0.00 42.46 40.22 1ub1 s ILE 88 CO 0.13 0.38 0.08 -0.63 -0.10 0.00 0.00 174.94 174.80 1ub1 s ILE 89 N -0.16 2.46 0.33 2.92 -1.09 -1.26 -5.15 121.20 119.24 1ub1 s ILE 89 Ca 0.01 -1.87 -0.09 0.00 -2.23 0.00 0.00 60.65 56.47 1ub1 s ILE 89 Cb -0.09 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.90 1ub1 s ILE 89 CO 0.01 -0.11 0.57 -0.13 -1.23 0.00 0.00 174.94 174.05 1ub1 s ARG 90 N -3.79 1.90 -0.00 2.79 0.52 -1.26 -4.75 118.95 114.36 1ub1 s ARG 90 Ca 0.37 -1.51 -0.29 0.00 -0.52 0.00 0.00 55.73 53.78 1ub1 s ARG 90 Cb 0.02 0.51 0.11 0.00 0.52 0.00 0.00 34.95 36.10 1ub1 s ARG 90 CO 0.20 -0.82 1.27 0.16 0.02 0.00 0.00 175.30 176.13 1ub1 s ASP 91 N -3.12 -0.02 1.02 0.23 -4.77 -1.26 -5.17 116.67 103.57 1ub1 s ASP 91 Ca 0.24 -0.21 -0.04 0.00 -3.30 0.00 0.00 52.55 49.24 1ub1 s ASP 91 Cb -0.02 0.18 0.06 0.00 -1.09 0.00 0.00 42.92 42.05 1ub1 s ASP 91 CO 0.15 -0.34 0.27 0.54 0.70 0.00 0.00 175.17 176.48 1ub1 n ARG 92 N -0.71 -0.80 0.00 2.11 3.00 -1.26 -4.90 116.66 114.11 1ub1 n ARG 92 Ca -0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 57.85 57.39 1ub1 n ARG 92 Cb 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 32.46 32.74 1ub1 n ARG 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ub1 n GLY 93 N 2.14 -2.10 3.78 -0.13 0.00 -1.26 -5.08 105.19 102.53 1ub1 n GLY 93 Ca 0.04 0.65 -0.29 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.51 0.46 0.00 1.61 0.04 -1.26 -4.97 135.00 130.37 1ub1 s PRO 94 Ca 0.00 0.03 0.26 0.00 0.04 0.00 0.00 61.00 61.33 1ub1 s PRO 94 Cb 0.00 -1.78 0.73 0.00 0.04 0.00 0.00 34.50 33.48 1ub1 s PRO 94 CO 0.00 -2.61 1.55 -1.33 0.04 0.00 0.00 177.00 174.66 1ub1 n MET 95 N -4.00 0.48 -1.92 4.56 2.81 -1.26 -5.04 117.12 112.75 1ub1 n MET 95 Ca 0.10 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 1ub1 n MET 95 Cb 0.59 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1ub1 n MET 95 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ub1 n TYR 96 N -1.02 -4.93 0.00 2.03 4.01 -1.26 -5.09 117.16 110.89 1ub1 n TYR 96 Ca 0.10 2.62 0.00 0.00 -0.16 0.00 0.00 57.90 60.45 1ub1 n TYR 96 Cb 0.34 -3.73 0.00 0.00 -0.31 0.00 0.00 39.34 35.63 1ub1 n TYR 96 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1ub1 n ASP 97 N 0.70 0.00 -3.62 7.72 5.75 -1.26 -5.19 116.55 120.66 1ub1 n ASP 97 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.63 1ub1 n ASP 97 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1ub1 n ASP 97 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1ub1 s ASP 98 N 0.00 -0.42 -1.15 -1.12 1.01 -1.26 -5.06 116.67 108.68 1ub1 s ASP 98 Ca 0.00 0.29 -0.14 0.00 0.71 0.00 0.00 52.55 53.41 1ub1 s ASP 98 Cb 0.00 0.45 -0.07 0.00 1.01 0.00 0.00 42.92 44.31 1ub1 s ASP 98 CO 0.00 -0.61 2.24 -0.81 0.21 0.00 0.00 175.17 176.20 1ub1 n PRO 99 N 0.80 2.40 0.00 8.23 -0.04 -1.26 -4.70 135.00 140.42 1ub1 n PRO 99 Ca -0.19 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 1ub1 n PRO 99 Cb 0.58 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 4.91 0.00 -3.21 0.52 5.66 -1.26 -5.10 114.28 115.80 1ub1 n THR 100 Ca 0.54 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 61.12 1ub1 n THR 100 Cb 0.31 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.01 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 0.00 4.45 -0.93 1.09 1.02 -1.01 -4.95 118.68 118.36 1ub1 s LEU 101 Ca 0.00 -0.18 -0.07 0.00 0.02 0.00 0.00 54.13 53.90 1ub1 s LEU 101 Cb 0.00 -2.61 -0.10 0.00 0.02 0.00 0.00 46.19 43.50 1ub1 s LEU 101 CO 0.00 -0.58 2.57 -0.81 0.02 0.00 0.00 176.35 177.55 1ub1 n PRO 102 N 5.88 2.47 0.00 1.29 -0.04 -1.26 -3.05 135.00 140.29 1ub1 n PRO 102 Ca -0.04 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1ub1 n PRO 102 Cb 0.48 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.61 0.00 0.00 0.54 1.02 -1.26 -5.09 120.64 119.46 1ub1 n GLU 103 Ca 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1ub1 n GLU 103 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 1ub1 n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ub1 n GLY 104 N 0.00 1.62 3.75 0.62 0.00 -1.17 -4.95 105.19 105.06 1ub1 n GLY 104 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ub1 n GLY 104 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ub1 s TRP 105 N 0.30 3.86 -0.19 1.61 -0.11 -1.26 -4.85 118.94 118.30 1ub1 s TRP 105 Ca 0.00 1.85 -0.25 0.00 1.22 0.00 0.00 56.10 58.92 1ub1 s TRP 105 Cb 0.00 -3.07 0.07 0.00 -1.50 0.00 0.00 33.47 28.96 1ub1 s TRP 105 CO 0.00 0.15 0.67 0.95 -4.62 0.00 0.00 176.95 174.09 1ub1 s THR 106 N -1.18 0.00 -0.20 5.86 -4.23 -1.01 -2.40 115.64 112.48 1ub1 s THR 106 Ca 0.42 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.75 1ub1 s THR 106 Cb -0.28 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 1ub1 s THR 106 CO 0.35 -0.01 0.42 -0.13 -0.54 0.00 0.00 174.62 174.71 1ub1 s ARG 107 N -0.12 4.17 -0.19 3.99 3.00 -1.25 -0.04 118.95 128.50 1ub1 s ARG 107 Ca -0.03 0.23 -0.02 0.00 0.00 0.00 0.00 55.73 55.91 1ub1 s ARG 107 Cb -0.03 -3.55 -0.00 0.00 0.00 0.00 0.00 34.95 31.36 1ub1 s ARG 107 CO 0.04 -0.07 -0.10 0.15 0.00 0.00 0.00 175.30 175.31 1ub1 s LYS 108 N 1.41 3.29 0.01 3.54 3.01 1.02 -4.76 119.74 127.26 1ub1 s LYS 108 Ca 0.20 -0.69 -0.08 0.00 -1.01 0.00 0.00 55.97 54.39 1ub1 s LYS 108 Cb -0.15 -2.82 -0.05 0.00 -1.01 0.00 0.00 37.83 33.80 1ub1 s LYS 108 CO 0.08 -0.10 0.30 -1.17 0.51 0.00 0.00 175.35 174.97 1ub1 s LEU 109 N 1.17 4.38 -0.04 3.17 0.20 -1.26 0.41 118.68 126.72 1ub1 s LEU 109 Ca 0.02 0.64 -0.30 0.00 0.69 0.00 0.00 54.13 55.17 1ub1 s LEU 109 Cb -0.14 -2.68 0.07 0.00 -0.43 0.00 0.00 46.19 43.00 1ub1 s LEU 109 CO -0.03 0.26 0.66 -0.54 -0.29 0.00 0.00 176.35 176.41 1ub1 s LYS 110 N -1.67 1.05 -0.14 1.98 1.02 0.41 -4.90 119.74 117.49 1ub1 s LYS 110 Ca 0.27 0.21 -0.07 0.00 0.02 0.00 0.00 55.97 56.40 1ub1 s LYS 110 Cb -0.14 0.50 -0.04 0.00 -0.52 0.00 0.00 37.83 37.63 1ub1 s LYS 110 CO 0.15 -0.33 0.12 -1.14 -0.92 0.00 0.00 175.35 173.23 1ub1 s GLN 111 N -1.30 3.63 0.30 1.68 0.74 -1.26 0.51 119.66 123.95 1ub1 s GLN 111 Ca -0.11 -0.19 -0.00 0.00 0.05 0.00 0.00 55.36 55.11 1ub1 s GLN 111 Cb -0.00 -3.21 0.69 0.00 1.10 0.00 0.00 33.01 31.58 1ub1 s GLN 111 CO 0.09 0.61 1.57 0.00 -0.55 0.00 0.00 175.29 177.01 1ub1 h ARG 112 N 5.56 0.01 -3.60 1.67 2.47 -1.91 -3.47 114.38 115.11 1ub1 h ARG 112 Ca -0.50 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1ub1 h ARG 112 Cb 1.20 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1ub1 h ARG 112 CO 0.63 0.01 -0.86 1.17 0.56 0.00 0.00 179.97 181.48 1ub1 n LYS 113 N -5.50 -4.50 0.00 0.04 4.81 -1.26 -4.90 118.16 106.84 1ub1 n LYS 113 Ca 0.21 3.31 0.00 0.00 -0.87 0.00 0.00 58.31 60.96 1ub1 n LYS 113 Cb 0.70 -3.69 0.00 0.00 0.02 0.00 0.00 35.03 32.06 1ub1 n LYS 113 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ub1 n SER 114 N -0.34 0.00 0.00 3.14 3.41 -1.26 -4.78 113.62 113.78 1ub1 n SER 114 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ub1 n SER 114 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ub1 n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ub1 n GLY 115 N 0.00 3.07 0.00 5.00 0.00 -1.26 -4.93 105.19 107.07 1ub1 n GLY 115 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.35 1.61 5.12 -1.26 -3.57 116.66 115.21 1ub1 n ARG 116 Ca 0.00 0.70 -0.26 0.00 -1.93 0.00 0.00 57.85 56.36 1ub1 n ARG 116 Cb 0.00 -1.16 -0.08 0.00 -1.16 0.00 0.00 32.46 30.06 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 -1.96 2.51 -4.83 0.55 2.88 -1.26 -5.08 113.62 106.43 1ub1 n SER 117 Ca 0.00 -3.18 -0.37 0.00 -1.33 0.00 0.00 58.87 53.99 1ub1 n SER 117 Cb 0.00 -0.66 -0.06 0.00 -0.75 0.00 0.00 64.21 62.74 1ub1 n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ub1 s ALA 118 N -2.01 3.75 0.00 -1.46 0.00 -1.23 -4.75 121.76 116.05 1ub1 s ALA 118 Ca 0.38 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1ub1 s ALA 118 Cb 0.15 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1ub1 s ALA 118 CO -0.05 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1ub1 n GLY 119 N 2.13 -0.79 3.93 0.00 0.00 -1.26 -5.03 105.19 104.17 1ub1 n GLY 119 Ca -0.16 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 3.51 0.00 1.61 2.20 -1.26 -5.11 119.74 120.68 1ub1 s LYS 120 Ca 0.00 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1ub1 s LYS 120 Cb 0.00 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1ub1 s LYS 120 CO 0.00 0.45 0.00 0.66 -0.36 0.00 0.00 175.35 176.10 1ub1 n TYR 121 N -0.45 -1.48 -3.77 4.03 4.02 -1.26 -4.49 117.16 113.75 1ub1 n TYR 121 Ca -0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.71 1ub1 n TYR 121 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.75 1ub1 n TYR 121 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ub1 s ASP 122 N -0.86 -0.26 -0.14 7.72 2.15 0.18 -4.61 116.67 120.86 1ub1 s ASP 122 Ca 0.00 0.41 -0.06 0.00 0.43 0.00 0.00 52.55 53.33 1ub1 s ASP 122 Cb 0.00 0.51 -0.04 0.00 -0.30 0.00 0.00 42.92 43.09 1ub1 s ASP 122 CO 0.00 -0.23 0.07 -0.69 -0.17 0.00 0.00 175.17 174.15 1ub1 s VAL 123 N -0.39 4.91 -0.16 1.11 1.01 -1.26 0.15 120.40 125.77 1ub1 s VAL 123 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1ub1 s VAL 123 Cb -0.03 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1ub1 s VAL 123 CO 0.02 0.55 -0.14 -0.47 0.00 0.00 0.00 175.10 175.06 1ub1 s TYR 124 N -0.43 2.81 -0.36 5.22 6.14 1.38 -4.60 117.35 127.50 1ub1 s TYR 124 Ca 0.10 -1.03 -0.17 0.00 0.64 0.00 0.00 57.07 56.61 1ub1 s TYR 124 Cb -0.12 -1.92 -0.00 0.00 0.42 0.00 0.00 41.96 40.34 1ub1 s TYR 124 CO 0.02 -0.48 0.45 -0.51 0.64 0.00 0.00 175.55 175.67 1ub1 s LEU 125 N 0.89 4.47 -0.28 6.97 1.43 0.29 0.34 118.68 132.79 1ub1 s LEU 125 Ca -0.04 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 1ub1 s LEU 125 Cb -0.15 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1ub1 s LEU 125 CO -0.01 -0.46 0.60 -0.63 0.23 0.00 0.00 176.35 176.08 1ub1 s ILE 126 N 2.24 4.98 0.01 -0.59 1.01 0.94 0.19 121.20 129.98 1ub1 s ILE 126 Ca 0.15 0.93 -0.00 0.00 0.00 0.00 0.00 60.65 61.73 1ub1 s ILE 126 Cb -0.16 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1ub1 s ILE 126 CO 0.13 -0.05 0.02 -0.46 0.00 0.00 0.00 174.94 174.58 1ub1 n ASN 127 N 5.77 0.02 -4.68 3.58 0.23 0.90 -2.39 115.26 118.68 1ub1 n ASN 127 Ca -0.02 -1.02 -0.42 0.00 -0.53 0.00 0.00 54.58 52.59 1ub1 n ASN 127 Cb 0.49 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.15 1ub1 n ASN 127 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ub1 s PRO 128 N -2.60 4.31 0.00 -0.53 0.04 -1.26 -2.89 135.00 132.06 1ub1 s PRO 128 Ca 0.01 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1ub1 s PRO 128 Cb -0.00 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1ub1 s PRO 128 CO 0.01 -0.54 0.00 1.04 0.04 0.00 0.00 177.00 177.55 1ub1 n GLN 129 N 5.64 0.00 0.00 4.56 6.02 -1.26 -4.51 117.38 127.83 1ub1 n GLN 129 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1ub1 n GLN 129 Cb 0.46 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.72 1ub1 n GLN 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ub1 n GLY 130 N -0.21 1.01 3.79 1.08 0.00 -1.14 -5.08 105.19 104.64 1ub1 n GLY 130 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.75 4.45 0.16 1.61 2.20 -1.23 -4.84 119.74 121.34 1ub1 s LYS 131 Ca 0.00 1.33 0.11 0.00 -0.36 0.00 0.00 55.97 57.04 1ub1 s LYS 131 Cb 0.00 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1ub1 s LYS 131 CO 0.00 0.15 -0.24 0.00 -0.36 0.00 0.00 175.35 174.90 1ub1 s ALA 132 N -1.72 2.34 -0.09 3.13 0.00 -1.26 0.31 121.76 124.46 1ub1 s ALA 132 Ca 0.54 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1ub1 s ALA 132 Cb -0.18 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1ub1 s ALA 132 CO 0.23 0.42 -0.12 -0.06 0.00 0.00 0.00 175.76 176.24 1ub1 s PHE 133 N -1.50 1.61 -2.55 0.00 0.08 0.49 -4.87 117.98 111.23 1ub1 s PHE 133 Ca 0.17 -0.71 0.21 0.00 0.12 0.00 0.00 56.93 56.71 1ub1 s PHE 133 Cb -0.08 -1.22 0.22 0.00 -0.57 0.00 0.00 43.02 41.36 1ub1 s PHE 133 CO 0.08 -0.41 1.21 0.54 -0.10 0.00 0.00 175.22 176.53 1ub1 n ARG 134 N 4.29 2.04 -3.92 0.44 1.74 -1.26 -0.54 116.66 119.44 1ub1 n ARG 134 Ca -0.19 -1.85 -0.10 0.00 -0.77 0.00 0.00 57.85 54.94 1ub1 n ARG 134 Cb 0.51 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.68 0.11 0.55 0.55 0.15 -1.26 -4.95 113.70 107.17 1ub1 s SER 135 Ca 0.27 -0.28 0.33 0.00 0.70 0.00 0.00 55.95 56.97 1ub1 s SER 135 Cb 0.18 0.14 1.44 0.00 -1.71 0.00 0.00 66.02 66.07 1ub1 s SER 135 CO 0.27 -0.26 2.02 0.50 1.20 0.00 0.00 173.24 176.96 1ub1 h LYS 136 N 4.84 0.00 -0.31 5.44 3.64 -1.92 -2.62 116.57 125.64 1ub1 h LYS 136 Ca -0.30 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 1ub1 h LYS 136 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1ub1 h LYS 136 CO 0.42 0.04 -0.00 -0.24 -2.27 0.00 0.00 179.45 177.40 1ub1 h VAL 137 N 0.00 1.26 0.00 2.00 3.04 -1.99 -2.21 116.25 118.34 1ub1 h VAL 137 Ca -0.00 -0.95 -0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1ub1 h VAL 137 Cb 0.47 1.26 -0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1ub1 h VAL 137 CO 0.01 0.31 -0.01 -0.08 -1.01 0.00 0.00 177.57 176.78 1ub1 h GLU 138 N 0.35 0.00 -0.08 4.17 4.57 -1.89 -1.70 114.58 120.00 1ub1 h GLU 138 Ca 0.09 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ub1 h GLU 138 Cb 0.44 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1ub1 h GLU 138 CO 0.02 0.01 0.04 1.25 -1.18 0.00 0.00 179.01 179.15 1ub1 h LEU 139 N 0.00 0.11 -0.46 1.64 5.85 -1.38 -2.64 115.31 118.43 1ub1 h LEU 139 Ca -0.00 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1ub1 h LEU 139 Cb 0.04 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ub1 h LEU 139 CO 0.00 0.20 0.22 -0.29 -0.34 0.00 0.00 178.44 178.23 1ub1 h ILE 140 N 0.01 1.18 -0.86 4.05 2.10 -1.29 2.21 117.51 124.91 1ub1 h ILE 140 Ca 0.03 -0.52 0.17 0.00 1.08 0.00 0.00 64.86 65.61 1ub1 h ILE 140 Cb 0.12 0.68 -0.16 0.00 -1.09 0.00 0.00 36.82 36.37 1ub1 h ILE 140 CO -0.00 0.20 -0.23 0.00 -1.08 0.00 0.00 178.15 177.03 1ub1 h ALA 141 N 1.07 0.51 0.00 0.18 0.00 -1.19 7.47 119.26 127.30 1ub1 h ALA 141 Ca 0.16 0.32 -0.24 0.00 0.00 0.00 0.00 54.91 55.15 1ub1 h ALA 141 Cb 0.12 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1ub1 h ALA 141 CO -0.02 -0.43 -1.53 1.88 0.00 0.00 0.00 179.25 179.16 1ub1 h TYR 142 N -0.01 0.00 0.00 0.00 -1.99 -1.12 -3.33 116.97 110.52 1ub1 h TYR 142 Ca 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.12 1ub1 h TYR 142 Cb 0.62 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 1ub1 h TYR 142 CO -0.69 0.86 -0.05 0.35 -0.00 0.00 0.00 178.16 178.63 1ub1 h PHE 143 N 0.00 0.00 -0.48 4.88 3.57 0.63 -2.05 116.94 123.49 1ub1 h PHE 143 Ca -0.22 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.38 1ub1 h PHE 143 Cb 1.85 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.49 1ub1 h PHE 143 CO 0.00 0.05 -0.15 1.49 -2.23 0.00 0.00 178.31 177.47 1ub1 h GLU 144 N 0.00 -0.04 0.00 1.11 4.22 1.55 -3.42 114.58 118.01 1ub1 h GLU 144 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ub1 h GLU 144 Cb 0.96 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ub1 h GLU 144 CO 0.01 -0.03 0.00 0.36 -2.18 0.00 0.00 179.01 177.17 1ub1 n LYS 145 N -5.37 0.00 0.00 1.92 2.85 -1.24 -5.00 118.16 111.32 1ub1 n LYS 145 Ca 0.04 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.41 1ub1 n LYS 145 Cb 0.28 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.65 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 0.00 0.02 0.00 0.58 3.14 -0.77 -4.94 118.33 116.36 1ub1 n VAL 146 Ca 0.00 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1ub1 n VAL 146 Cb 0.00 0.65 0.00 0.00 -1.06 0.00 0.00 33.84 33.43 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 1.47 0.80 2.88 7.55 0.00 -1.26 -5.08 105.19 111.55 1ub1 n GLY 147 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 2.69 -0.27 1.61 1.01 -1.26 -5.02 116.67 114.69 1ub1 s ASP 148 Ca 0.00 -0.59 0.01 0.00 0.71 0.00 0.00 52.55 52.68 1ub1 s ASP 148 Cb 0.00 -0.87 0.08 0.00 1.01 0.00 0.00 42.92 43.14 1ub1 s ASP 148 CO 0.00 -0.18 0.01 -0.89 0.21 0.00 0.00 175.17 174.32 1ub1 s THR 149 N 1.67 1.48 0.00 -1.27 2.01 -1.26 -4.83 115.64 113.44 1ub1 s THR 149 Ca 0.01 -1.46 0.00 0.00 0.31 0.00 0.00 61.69 60.55 1ub1 s THR 149 Cb -0.15 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.45 1ub1 s THR 149 CO -0.08 -0.35 0.00 -0.24 -0.69 0.00 0.00 174.62 173.27 1ub1 n SER 150 N 4.64 0.00 -4.78 3.53 2.88 -1.26 -5.12 113.62 113.52 1ub1 n SER 150 Ca -0.06 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.08 1ub1 n SER 150 Cb 0.43 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 1ub1 n SER 150 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ub1 s LEU 151 N 0.00 4.58 0.14 2.46 1.43 -1.26 -5.07 118.68 120.95 1ub1 s LEU 151 Ca 0.00 1.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 1ub1 s LEU 151 Cb 0.00 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1ub1 s LEU 151 CO 0.00 0.20 -0.15 -1.81 0.23 0.00 0.00 176.35 174.81 1ub1 s ASP 152 N -1.05 2.22 0.00 2.29 1.01 -1.26 -4.99 116.67 114.89 1ub1 s ASP 152 Ca 0.35 -0.83 0.23 0.00 0.71 0.00 0.00 52.55 53.01 1ub1 s ASP 152 Cb -0.23 -0.10 1.13 0.00 1.01 0.00 0.00 42.92 44.74 1ub1 s ASP 152 CO 0.25 -0.11 1.74 -0.81 0.21 0.00 0.00 175.17 176.45 1ub1 n PRO 153 N 0.45 0.30 0.00 8.23 -0.04 -1.26 0.29 135.00 142.96 1ub1 n PRO 153 Ca -0.15 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1ub1 n PRO 153 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1ub1 n PRO 153 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ub1 n ASN 154 N -1.30 0.84 -2.71 3.54 5.15 -1.26 -4.41 115.26 115.11 1ub1 n ASN 154 Ca 0.10 -0.76 -0.04 0.00 -0.60 0.00 0.00 54.58 53.29 1ub1 n ASN 154 Cb 0.19 0.80 0.10 0.00 -0.53 0.00 0.00 39.78 40.34 1ub1 n ASN 154 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1ub1 n ASP 155 N -1.52 -0.71 -3.02 1.20 9.92 -0.83 -5.14 116.55 116.46 1ub1 n ASP 155 Ca 0.04 -2.32 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 1ub1 n ASP 155 Cb 0.34 0.43 0.00 0.00 -0.64 0.00 0.00 41.12 41.25 1ub1 n ASP 155 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1ub1 n PHE 156 N -0.93 -1.47 0.22 1.24 1.16 0.14 -4.43 117.46 113.40 1ub1 n PHE 156 Ca -0.06 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.56 1ub1 n PHE 156 Cb 0.85 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.67 1ub1 n PHE 156 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1ub1 n ASP 157 N -2.16 1.49 -4.63 5.98 10.43 -1.26 -4.96 116.55 121.45 1ub1 n ASP 157 Ca 0.00 -0.41 -0.61 0.00 2.57 0.00 0.00 54.79 56.34 1ub1 n ASP 157 Cb 0.00 1.15 -0.09 0.00 1.84 0.00 0.00 41.12 44.02 1ub1 n ASP 157 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1ub1 n PHE 158 N -1.42 1.78 0.00 1.24 3.72 -1.26 -4.86 117.46 116.66 1ub1 n PHE 158 Ca 0.00 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.17 1ub1 n PHE 158 Cb 0.16 -2.36 0.00 0.00 -0.94 0.00 0.00 39.48 36.34 1ub1 n PHE 158 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ub1 n THR 159 N 4.93 0.00 -0.07 4.37 -2.24 -1.26 -1.13 114.28 118.88 1ub1 n THR 159 Ca 0.34 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.37 1ub1 n THR 159 Cb 0.05 -0.44 0.70 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.37 0.00 2.28 3.04 -1.89 1.10 116.25 121.15 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 0.51 -0.00 0.00 -2.01 0.00 0.00 31.29 29.79 1ub1 h VAL 160 CO 0.00 0.00 -0.09 1.07 -1.01 0.00 0.00 177.57 177.54 1ub1 n THR 161 N -3.84 1.90 0.00 3.17 5.66 -1.26 -4.42 114.28 115.49 1ub1 n THR 161 Ca 0.14 -2.38 0.00 0.00 -3.05 0.00 0.00 64.05 58.77 1ub1 n THR 161 Cb 0.90 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 1ub1 n THR 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ub1 n GLY 162 N -1.36 -0.09 0.03 1.09 0.00 0.31 -4.85 105.19 100.31 1ub1 n GLY 162 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1ub1 n GLY 162 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ub1 n ARG 163 N -1.39 0.05 0.00 1.61 0.00 0.17 -4.86 116.66 112.25 1ub1 n ARG 163 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1ub1 n ARG 163 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 30.89 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 0.88 1.43 3.60 5.14 0.00 0.25 -4.84 105.19 111.64 1ub1 n GLY 164 Ca 0.05 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1ub1 n GLY 164 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ub1 s SER 165 N -4.00 6.52 -0.07 1.61 0.15 -1.26 -3.54 113.70 113.10 1ub1 s SER 165 Ca 0.00 0.43 -0.21 0.00 0.70 0.00 0.00 55.95 56.87 1ub1 s SER 165 Cb 0.00 -2.35 -0.16 0.00 -1.71 0.00 0.00 66.02 61.80 1ub1 s SER 165 CO 0.00 -0.53 0.78 1.55 1.20 0.00 0.00 173.24 176.23 1ub1 h PRO 166 N 8.23 -0.13 0.00 5.44 0.13 -1.88 -3.49 132.00 140.30 1ub1 h PRO 166 Ca -0.26 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1ub1 h PRO 166 Cb 1.11 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ub1 h PRO 166 CO 0.83 0.37 0.00 0.45 -0.23 0.00 0.00 178.00 179.42 1ub1 n SER 167 N -4.84 -0.40 -3.82 1.44 2.88 -1.26 -4.28 113.62 103.34 1ub1 n SER 167 Ca -0.07 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.19 1ub1 n SER 167 Cb 0.28 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.00 2.17 1.33 -1.46 3.52 -1.26 -5.10 118.95 118.15 1ub1 s ARG 168 Ca 0.00 -3.08 -0.19 0.00 -0.13 0.00 0.00 55.73 52.34 1ub1 s ARG 168 Cb 0.00 -3.08 0.34 0.00 -1.56 0.00 0.00 34.95 30.64 1ub1 s ARG 168 CO 0.00 -1.29 0.90 0.54 -0.81 0.00 0.00 175.30 174.64 1ub1 n ARG 169 N 2.22 -3.69 -3.24 5.12 1.74 -1.26 -5.06 116.66 112.49 1ub1 n ARG 169 Ca 0.20 -1.08 0.04 0.00 -0.77 0.00 0.00 57.85 56.24 1ub1 n ARG 169 Cb 0.37 -2.02 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 1ub1 n ARG 169 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ub1 s GLU 170 N -4.65 0.01 0.09 5.56 2.12 -1.26 -5.18 118.70 115.40 1ub1 s GLU 170 Ca 0.67 0.02 0.06 0.00 0.36 0.00 0.00 54.97 56.08 1ub1 s GLU 170 Cb -0.19 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.18 1ub1 s GLU 170 CO 0.61 -0.00 -0.16 -1.14 -0.54 0.00 0.00 175.26 174.03 1ub1 s GLN 171 N 1.85 0.96 -0.30 4.30 0.74 -1.26 -5.13 119.66 120.82 1ub1 s GLN 171 Ca -0.01 -1.09 -0.15 0.00 0.05 0.00 0.00 55.36 54.16 1ub1 s GLN 171 Cb -0.00 -1.01 0.18 0.00 1.10 0.00 0.00 33.01 33.27 1ub1 s GLN 171 CO -0.15 0.22 1.07 0.50 -0.55 0.00 0.00 175.29 176.38 1ub1 s ARG 172 N -2.03 0.21 0.30 1.67 3.00 -1.26 -5.16 118.95 115.69 1ub1 s ARG 172 Ca 0.03 0.49 -0.28 0.00 -1.00 0.00 0.00 55.73 54.97 1ub1 s ARG 172 Cb -0.09 0.29 -0.09 0.00 0.00 0.00 0.00 34.95 35.06 1ub1 s ARG 172 CO 0.03 -0.11 1.07 -1.25 0.00 0.00 0.00 175.30 175.05 1ub1 s PRO 173 N 2.47 4.56 0.00 5.12 0.04 -1.26 -5.01 135.00 140.92 1ub1 s PRO 173 Ca -0.01 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ub1 s PRO 173 Cb -0.06 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1ub1 s PRO 173 CO -0.16 0.17 0.22 -0.35 0.04 0.00 0.00 177.00 176.91 1ub1 n PRO 174 N 0.95 0.00 -0.09 0.56 -0.04 -1.26 -5.08 135.00 130.03 1ub1 n PRO 174 Ca 0.00 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1ub1 n PRO 174 Cb 0.46 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -1.55 -0.27 -3.60 0.54 4.81 -1.26 -5.09 118.16 111.74 1ub1 n LYS 175 Ca 0.00 0.20 -0.03 0.00 -0.87 0.00 0.00 58.31 57.61 1ub1 n LYS 175 Cb 0.00 -0.23 -0.06 0.00 0.02 0.00 0.00 35.03 34.77 1ub1 n LYS 175 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ub1 s LYS 176 N -5.81 0.53 0.40 1.64 2.36 -1.26 -5.18 119.74 112.43 1ub1 s LYS 176 Ca 0.00 1.10 0.04 0.00 -2.55 0.00 0.00 55.97 54.56 1ub1 s LYS 176 Cb 0.00 0.39 -0.05 0.00 -1.05 0.00 0.00 37.83 37.12 1ub1 s LYS 176 CO 0.00 -0.14 0.04 0.00 1.55 0.00 0.00 175.35 176.80 1ub1 s ALA 177 N 2.08 3.03 -0.29 3.13 0.00 -1.26 -5.16 121.76 123.29 1ub1 s ALA 177 Ca -0.07 -1.71 -0.22 0.00 0.00 0.00 0.00 51.96 49.95 1ub1 s ALA 177 Cb -0.07 0.40 0.15 0.00 0.00 0.00 0.00 23.12 23.60 1ub1 s ALA 177 CO -0.18 -0.20 1.12 0.15 0.00 0.00 0.00 175.76 176.65 1ub1 s LYS 178 N -3.80 0.35 0.04 0.00 1.02 -1.26 -5.18 119.74 110.91 1ub1 s LYS 178 Ca 0.28 0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.76 1ub1 s LYS 178 Cb 0.07 0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1ub1 s LYS 178 CO 0.14 -0.05 -0.08 0.45 -0.92 0.00 0.00 175.35 174.88 1ub1 s SER 179 N 0.48 0.95 1.07 2.83 0.15 -1.26 -5.16 113.70 112.76 1ub1 s SER 179 Ca 0.01 -0.53 -0.17 0.00 0.70 0.00 0.00 55.95 55.95 1ub1 s SER 179 Cb -0.05 0.02 0.24 0.00 -1.71 0.00 0.00 66.02 64.52 1ub1 s SER 179 CO -0.10 -0.17 1.22 -2.16 1.20 0.00 0.00 173.24 173.22 1ub1 s PRO 180 N -1.51 -0.22 -0.12 5.44 0.04 -1.26 -5.10 135.00 132.27 1ub1 s PRO 180 Ca -0.08 -0.23 -0.22 0.00 0.04 0.00 0.00 61.00 60.51 1ub1 s PRO 180 Cb -0.10 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.77 1ub1 s PRO 180 CO 0.01 -3.02 0.54 0.21 0.04 0.00 0.00 177.00 174.78 1ub1 s LYS 181 N -5.65 0.77 -0.17 4.56 2.20 -1.26 -5.15 119.74 115.04 1ub1 s LYS 181 Ca 0.72 0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 56.71 1ub1 s LYS 181 Cb -0.07 0.36 0.08 0.00 -1.51 0.00 0.00 37.83 36.70 1ub1 s LYS 181 CO 0.54 -0.17 0.22 0.45 -0.36 0.00 0.00 175.35 176.04 1ub1 s SER 182 N -0.48 1.03 1.01 1.43 0.15 -1.26 -5.16 113.70 110.43 1ub1 s SER 182 Ca -0.06 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 1ub1 s SER 182 Cb -0.03 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 1ub1 s SER 182 CO 0.04 -0.29 0.07 -0.81 1.20 0.00 0.00 173.24 173.45 1ub1 n PRO 183 N 5.33 -0.60 -3.78 5.44 -0.04 -1.26 -5.11 135.00 134.98 1ub1 n PRO 183 Ca -0.05 -0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 1ub1 n PRO 183 Cb 0.50 -0.09 -0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.90 -0.17 -0.25 0.55 0.00 -1.26 -5.19 107.32 98.11 1ub1 s GLY 184 Ca 0.04 0.11 -0.38 0.00 0.00 0.00 0.00 44.72 44.50 1ub1 s GLY 184 CO 0.03 1.13 1.40 -0.45 0.00 0.00 0.00 173.10 175.20 1ub1 s SER 185 N -3.15 -0.01 0.00 1.64 0.15 -1.26 -5.17 113.70 105.91 1ub1 s SER 185 Ca 0.17 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1ub1 s SER 185 Cb -0.00 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1ub1 s SER 185 CO 0.02 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1ub1 n GLY 186 N -0.10 2.55 3.60 9.45 0.00 -1.26 -5.19 105.19 114.23 1ub1 n GLY 186 Ca 0.03 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1ub1 n GLY 186 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ub1 s ARG 187 N -0.80 0.32 0.00 1.61 3.00 -1.26 -5.16 118.95 116.66 1ub1 s ARG 187 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 55.73 54.71 1ub1 s ARG 187 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 34.95 35.10 1ub1 s ARG 187 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.30 175.59 1ub1 n GLY 188 N 0.27 0.93 1.01 8.12 0.00 -1.26 -5.11 105.19 109.16 1ub1 n GLY 188 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ub1 n GLY 188 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ub1 n ARG 189 N 0.00 0.00 -3.52 1.61 0.63 -1.26 -5.07 116.66 109.05 1ub1 n ARG 189 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.78 1ub1 n ARG 189 Cb 0.00 -0.17 0.00 0.00 0.45 0.00 0.00 32.46 32.74 1ub1 n ARG 189 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ub1 n GLY 190 N 3.48 -1.29 3.05 5.14 0.00 -1.26 -4.99 105.19 109.33 1ub1 n GLY 190 Ca -0.00 0.55 0.03 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.24 0.41 0.61 1.61 3.00 -1.26 -5.17 118.95 113.91 1ub1 s ARG 191 Ca 0.00 0.05 -0.10 0.00 -1.00 0.00 0.00 55.73 54.68 1ub1 s ARG 191 Cb -0.00 0.10 0.15 0.00 0.00 0.00 0.00 34.95 35.19 1ub1 s ARG 191 CO 0.84 -0.65 0.67 -0.35 0.00 0.00 0.00 175.30 175.81 1ub1 n PRO 192 N 4.55 -1.44 -1.51 5.12 -0.04 -1.26 -4.77 135.00 135.66 1ub1 n PRO 192 Ca 0.08 -1.06 -0.38 0.00 -0.04 0.00 0.00 63.50 62.11 1ub1 n PRO 192 Cb 0.59 -0.83 -0.14 0.00 -0.04 0.00 0.00 33.50 33.07 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 -2.95 0.16 -3.19 0.54 3.00 -1.26 -4.74 118.16 109.72 1ub1 n LYS 193 Ca 0.09 -0.02 -0.20 0.00 -0.00 0.00 0.00 58.31 58.18 1ub1 n LYS 193 Cb 0.32 -1.77 -0.04 0.00 0.00 0.00 0.00 35.03 33.54 1ub1 n LYS 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ub1 n GLY 194 N 6.33 3.36 3.62 3.14 0.00 -1.26 -5.09 105.19 115.29 1ub1 n GLY 194 Ca 0.62 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 1ub1 n GLY 194 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ub1 s SER 195 N -1.99 -0.04 0.00 1.61 0.15 -1.26 -5.21 113.70 106.96 1ub1 s SER 195 Ca 0.38 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1ub1 s SER 195 Cb 0.28 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1ub1 s SER 195 CO -0.09 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.88