#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upq s ARG 48 N 0.00 2.56 0.06 3.23 1.04 -1.26 -4.96 118.95 119.62 1upq s ARG 48 Ca 0.00 -0.70 -0.19 0.00 -1.04 0.00 0.00 55.73 53.80 1upq s ARG 48 Cb 0.00 -2.49 -0.06 0.00 -2.04 0.00 0.00 34.95 30.36 1upq s ARG 48 CO 0.00 0.61 0.55 0.50 -0.04 0.00 0.00 175.30 176.92 1upq s ARG 49 N -1.22 4.17 -0.37 3.89 3.52 -1.26 -5.04 118.95 122.64 1upq s ARG 49 Ca 0.15 0.70 -0.24 0.00 -0.13 0.00 0.00 55.73 56.21 1upq s ARG 49 Cb -0.11 -3.24 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 1upq s ARG 49 CO 0.05 0.63 0.82 0.34 -0.81 0.00 0.00 175.30 176.33 1upq s ASP 50 N -1.04 6.57 0.59 -2.12 -1.08 -1.26 -4.93 116.67 113.41 1upq s ASP 50 Ca 0.28 0.39 0.32 0.00 -0.52 0.00 0.00 52.55 53.02 1upq s ASP 50 Cb -0.19 -2.41 1.88 0.00 -1.46 0.00 0.00 42.92 40.73 1upq s ASP 50 CO 0.18 -0.77 2.24 -0.65 0.52 0.00 0.00 175.17 176.70 1upq h PRO 51 N 8.50 0.00 0.06 4.34 0.11 -2.02 -2.63 132.00 140.36 1upq h PRO 51 Ca -0.24 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.61 1upq h PRO 51 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1upq h PRO 51 CO 0.93 0.02 -1.22 -0.91 -0.21 0.00 0.00 178.00 176.61 1upq h ASN 52 N 0.00 0.19 -3.78 -2.05 -0.26 -2.05 -3.47 115.58 104.17 1upq h ASN 52 Ca -0.00 -0.23 -0.53 0.00 -0.56 0.00 0.00 56.30 54.98 1upq h ASN 52 Cb 0.07 -0.06 0.09 0.00 -1.06 0.00 0.00 38.32 37.36 1upq h ASN 52 CO 0.00 1.18 0.78 -0.22 -1.06 0.00 0.00 177.43 178.11 1upq s LEU 53 N -6.84 4.34 0.64 1.61 2.96 -0.99 -4.96 118.68 115.44 1upq s LEU 53 Ca -0.03 2.95 -0.18 0.00 -0.22 0.00 0.00 54.13 56.65 1upq s LEU 53 Cb 0.08 -3.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1upq s LEU 53 CO 0.85 -0.82 1.31 -2.84 -1.32 0.00 0.00 176.35 173.53 1upq s PRO 54 N -1.63 2.60 -0.20 0.98 0.02 -1.26 -4.95 135.00 130.57 1upq s PRO 54 Ca 0.55 2.10 -0.09 0.00 0.02 0.00 0.00 61.00 63.57 1upq s PRO 54 Cb -0.45 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1upq s PRO 54 CO 0.57 -1.57 0.11 0.08 -0.33 0.00 0.00 177.00 175.87 1upq s VAL 55 N -1.37 5.24 0.07 3.83 1.01 -1.26 -4.05 120.40 123.87 1upq s VAL 55 Ca 0.82 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.85 1upq s VAL 55 Cb -0.38 -3.38 -0.28 0.00 0.00 0.00 0.00 36.38 32.33 1upq s VAL 55 CO 0.41 0.44 1.14 0.45 0.00 0.00 0.00 175.10 177.54 1upq h HIS 56 N 6.70 0.67 -1.64 5.22 3.86 -1.36 -3.48 115.15 125.12 1upq h HIS 56 Ca -0.40 -0.46 0.06 0.00 -1.16 0.00 0.00 60.37 58.41 1upq h HIS 56 Cb 1.16 -0.04 -0.22 0.00 1.06 0.00 0.00 27.41 29.36 1upq h HIS 56 CO 0.58 1.34 0.48 -1.50 0.86 0.00 0.00 177.93 179.69 1upq s ILE 57 N -2.78 0.00 0.14 2.45 2.07 -1.24 -5.04 121.20 116.80 1upq s ILE 57 Ca -0.06 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.09 1upq s ILE 57 Cb 0.07 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.65 1upq s ILE 57 CO 0.90 0.00 0.26 0.00 -1.91 0.00 0.00 174.94 174.19 1upq s ARG 58 N -1.10 1.04 0.00 3.50 1.70 -1.26 -1.32 118.95 121.51 1upq s ARG 58 Ca -0.03 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 1upq s ARG 58 Cb -0.00 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1upq s ARG 58 CO 0.03 -0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.29 1upq n GLY 59 N -0.16 -0.79 3.76 3.88 0.00 -0.09 -4.98 105.19 106.80 1upq n GLY 59 Ca -0.11 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 1upq n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1upq s TRP 60 N -1.91 3.53 0.02 1.61 0.52 -1.26 -0.96 118.94 120.49 1upq s TRP 60 Ca 0.00 1.68 0.01 0.00 0.02 0.00 0.00 56.10 57.80 1upq s TRP 60 Cb 0.00 -3.31 -0.02 0.00 -1.15 0.00 0.00 33.47 28.99 1upq s TRP 60 CO 0.00 -0.65 -0.04 -0.51 0.02 0.00 0.00 176.95 175.78 1upq s LEU 61 N -1.50 2.18 0.03 2.99 1.43 -0.62 -4.76 118.68 118.43 1upq s LEU 61 Ca 0.45 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.90 1upq s LEU 61 Cb -0.32 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.85 1upq s LEU 61 CO 0.42 -0.20 0.81 -1.00 0.23 0.00 0.00 176.35 176.60 1upq s HIS 62 N -1.08 3.71 -0.15 0.29 3.76 -0.34 -1.30 115.29 120.18 1upq s HIS 62 Ca -0.11 1.50 -0.02 0.00 -0.15 0.00 0.00 55.06 56.29 1upq s HIS 62 Cb -0.08 -2.88 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 1upq s HIS 62 CO -0.00 0.19 -0.08 0.21 -0.85 0.00 0.00 174.74 174.21 1upq s LYS 63 N 0.25 3.51 0.31 1.40 2.20 -0.30 -0.44 119.74 126.66 1upq s LYS 63 Ca 0.41 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 55.13 1upq s LYS 63 Cb -0.20 -2.79 -0.10 0.00 -1.51 0.00 0.00 37.83 33.23 1upq s LYS 63 CO 0.24 0.19 1.16 -1.14 -0.36 0.00 0.00 175.35 175.43 1upq s GLN 64 N 0.45 4.49 1.00 4.03 0.74 -0.36 -1.08 119.66 128.92 1upq s GLN 64 Ca -0.07 1.90 -0.16 0.00 0.05 0.00 0.00 55.36 57.08 1upq s GLN 64 Cb -0.15 -3.08 0.20 0.00 1.10 0.00 0.00 33.01 31.08 1upq s GLN 64 CO 0.04 0.04 1.22 0.16 -0.55 0.00 0.00 175.29 176.21 1upq s ASP 65 N -0.84 2.79 -0.14 6.67 -4.77 0.74 -4.71 116.67 116.41 1upq s ASP 65 Ca 0.47 0.53 0.16 0.00 -3.30 0.00 0.00 52.55 50.42 1upq s ASP 65 Cb -0.33 -0.76 0.30 0.00 -1.09 0.00 0.00 42.92 41.04 1upq s ASP 65 CO 0.43 -2.96 1.16 -1.54 0.70 0.00 0.00 175.17 172.96 1upq n SER 66 N -3.97 2.06 0.20 2.11 3.41 -1.26 -4.61 113.62 111.58 1upq n SER 66 Ca 0.12 -3.18 0.10 0.00 -0.26 0.00 0.00 58.87 55.65 1upq n SER 66 Cb 0.60 -0.44 0.21 0.00 -0.26 0.00 0.00 64.21 64.32 1upq n SER 66 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1upq h SER 67 N 0.22 0.00 0.00 4.04 4.64 -1.98 -3.47 113.55 117.00 1upq h SER 67 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1upq h SER 67 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1upq h SER 67 CO 0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1upq n GLY 68 N 0.95 1.04 0.22 -0.77 0.00 -1.26 -4.92 105.19 100.44 1upq n GLY 68 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 1upq n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1upq n LEU 69 N 0.00 0.72 -3.83 0.99 4.32 -1.26 -4.95 117.00 112.99 1upq n LEU 69 Ca 0.00 -0.19 -0.32 0.00 -0.02 0.00 0.00 56.01 55.48 1upq n LEU 69 Cb 0.00 -0.06 0.02 0.00 -1.62 0.00 0.00 43.42 41.76 1upq n LEU 69 CO 0.00 0.12 -0.14 -2.11 -1.22 0.00 0.00 177.39 174.04 1upq n ARG 70 N -0.55 -1.64 -2.96 3.23 0.00 -1.26 -4.99 116.66 108.48 1upq n ARG 70 Ca 0.19 0.37 -0.24 0.00 -0.00 0.00 0.00 57.85 58.17 1upq n ARG 70 Cb 0.26 -3.97 0.01 0.00 -0.00 0.00 0.00 32.46 28.76 1upq n ARG 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1upq s LEU 71 N -6.79 3.68 0.03 2.89 2.01 -1.26 -4.85 118.68 114.38 1upq s LEU 71 Ca 0.34 0.46 0.04 0.00 0.01 0.00 0.00 54.13 54.97 1upq s LEU 71 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 46.19 42.69 1upq s LEU 71 CO 0.89 -0.64 -0.05 0.26 1.01 0.00 0.00 176.35 177.82 1upq s TRP 72 N -2.58 2.91 -0.05 0.29 0.52 -1.26 -0.18 118.94 118.59 1upq s TRP 72 Ca 0.47 -0.04 -0.00 0.00 0.02 0.00 0.00 56.10 56.55 1upq s TRP 72 Cb -0.10 -1.59 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1upq s TRP 72 CO 0.39 0.41 -0.01 0.21 0.02 0.00 0.00 176.95 177.97 1upq s LYS 73 N -1.65 0.55 -0.06 4.98 2.47 -0.24 -4.94 119.74 120.85 1upq s LYS 73 Ca 0.19 0.05 -0.30 0.00 -1.56 0.00 0.00 55.97 54.36 1upq s LYS 73 Cb -0.11 -0.78 -0.05 0.00 -1.46 0.00 0.00 37.83 35.43 1upq s LYS 73 CO 0.10 -0.20 1.51 0.50 0.16 0.00 0.00 175.35 177.42 1upq s ARG 74 N 1.43 4.22 0.22 4.03 3.52 -1.26 -1.15 118.95 129.96 1upq s ARG 74 Ca -0.03 2.03 0.08 0.00 -0.13 0.00 0.00 55.73 57.68 1upq s ARG 74 Cb -0.13 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 1upq s ARG 74 CO -0.03 -0.75 -0.13 1.03 -0.81 0.00 0.00 175.30 174.61 1upq s ARG 75 N 3.46 1.39 -0.33 5.12 1.81 -0.42 -4.96 118.95 125.02 1upq s ARG 75 Ca 0.67 -1.63 -0.13 0.00 -1.72 0.00 0.00 55.73 52.92 1upq s ARG 75 Cb -0.31 -1.17 -0.02 0.00 -0.45 0.00 0.00 34.95 33.00 1upq s ARG 75 CO 0.26 0.17 0.26 -0.46 -0.68 0.00 0.00 175.30 174.85 1upq s TRP 76 N -2.95 3.23 0.02 -0.53 -0.11 -0.69 -1.59 118.94 116.33 1upq s TRP 76 Ca 0.24 -0.14 0.02 0.00 1.22 0.00 0.00 56.10 57.44 1upq s TRP 76 Cb -0.00 -2.50 -0.04 0.00 -1.50 0.00 0.00 33.47 29.43 1upq s TRP 76 CO 0.08 -0.35 0.04 -0.06 -4.62 0.00 0.00 176.95 172.05 1upq s PHE 77 N 1.78 3.16 -0.05 5.86 0.40 -0.13 -0.72 117.98 128.28 1upq s PHE 77 Ca 0.07 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 1upq s PHE 77 Cb -0.17 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 41.72 1upq s PHE 77 CO 0.11 0.51 -0.02 0.08 0.70 0.00 0.00 175.22 176.60 1upq s VAL 78 N -1.21 0.38 -0.32 -0.44 1.01 0.46 -0.91 120.40 119.37 1upq s VAL 78 Ca 0.23 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1upq s VAL 78 Cb -0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 1upq s VAL 78 CO 0.15 0.21 0.15 -0.22 0.00 0.00 0.00 175.10 175.39 1upq s LEU 79 N 1.29 4.17 -0.04 3.92 0.20 -0.43 -0.50 118.68 127.29 1upq s LEU 79 Ca -0.06 -0.59 0.01 0.00 0.69 0.00 0.00 54.13 54.18 1upq s LEU 79 Cb -0.13 -2.00 0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1upq s LEU 79 CO -0.02 -0.22 -0.03 -0.55 -0.29 0.00 0.00 176.35 175.24 1upq s SER 80 N 1.60 0.75 1.59 3.68 0.15 -0.62 -0.82 113.70 120.03 1upq s SER 80 Ca 0.04 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1upq s SER 80 Cb -0.17 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1upq s SER 80 CO 0.06 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1upq n GLY 81 N 3.99 3.51 1.11 9.45 0.00 -1.26 -1.76 105.19 120.23 1upq n GLY 81 Ca -0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1upq n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1upq n HIS 82 N 14.00 1.11 -4.92 1.61 -0.00 -1.26 -4.89 115.22 120.87 1upq n HIS 82 Ca 0.00 -1.40 -0.29 0.00 -0.00 0.00 0.00 57.72 56.02 1upq n HIS 82 Cb 0.00 -0.46 -0.15 0.00 -0.00 0.00 0.00 29.99 29.39 1upq n HIS 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1upq s LEU 84 N -1.13 3.56 0.10 0.00 2.96 -0.19 -1.58 118.68 122.39 1upq s LEU 84 Ca 0.11 -0.05 0.09 0.00 -0.22 0.00 0.00 54.13 54.05 1upq s LEU 84 Cb -0.10 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1upq s LEU 84 CO 0.02 0.12 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.63 1upq s PHE 85 N 0.66 2.54 0.10 5.38 0.08 0.35 -0.54 117.98 126.54 1upq s PHE 85 Ca 0.02 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.83 1upq s PHE 85 Cb -0.14 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 1upq s PHE 85 CO 0.02 0.35 -0.09 1.52 -0.10 0.00 0.00 175.22 176.93 1upq s TYR 86 N -1.09 0.98 0.17 0.36 -0.85 -0.38 -0.40 117.35 116.14 1upq s TYR 86 Ca 0.17 -0.73 0.01 0.00 -0.52 0.00 0.00 57.07 56.00 1upq s TYR 86 Cb -0.11 -0.54 -0.04 0.00 0.38 0.00 0.00 41.96 41.65 1upq s TYR 86 CO 0.09 -0.05 0.03 0.71 -1.52 0.00 0.00 175.55 174.81 1upq s TYR 87 N -2.80 1.14 0.28 -3.49 1.51 0.10 -0.25 117.35 113.85 1upq s TYR 87 Ca 0.07 -1.11 -0.03 0.00 -1.01 0.00 0.00 57.07 55.00 1upq s TYR 87 Cb -0.00 -0.65 0.38 0.00 -0.11 0.00 0.00 41.96 41.57 1upq s TYR 87 CO -0.01 -0.32 1.87 -0.22 -1.11 0.00 0.00 175.55 175.76 1upq h LYS 88 N 2.71 0.99 0.00 -0.62 1.63 -1.84 -1.82 116.57 117.62 1upq h LYS 88 Ca -0.36 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1upq h LYS 88 Cb 1.21 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1upq h LYS 88 CO 0.61 0.77 0.06 -0.40 -3.45 0.00 0.00 179.45 177.04 1upq n ASP 89 N -4.33 -0.54 0.00 4.20 5.68 -1.26 -4.43 116.55 115.88 1upq n ASP 89 Ca 0.06 -1.39 0.14 0.00 -0.50 0.00 0.00 54.79 53.11 1upq n ASP 89 Cb 0.14 0.90 0.78 0.00 -1.14 0.00 0.00 41.12 41.79 1upq n ASP 89 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1upq n SER 90 N -1.19 0.00 0.27 -1.12 3.41 -1.26 -2.50 113.62 111.23 1upq n SER 90 Ca -0.02 -0.56 0.15 0.00 -0.26 0.00 0.00 58.87 58.18 1upq n SER 90 Cb 0.14 -0.12 0.71 0.00 -0.26 0.00 0.00 64.21 64.68 1upq n SER 90 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1upq h ARG 91 N 0.00 0.00 -5.91 4.33 3.08 -1.99 -3.46 114.38 110.42 1upq h ARG 91 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.65 1upq h ARG 91 Cb 0.11 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.26 1upq h ARG 91 CO 0.00 0.09 -0.75 0.39 -1.07 0.00 0.00 179.97 178.63 1upq n GLU 92 N -3.33 -6.63 -3.94 0.04 1.02 -1.04 -4.98 120.64 101.78 1upq n GLU 92 Ca -0.01 0.76 -0.35 0.00 -0.02 0.00 0.00 57.16 57.54 1upq n GLU 92 Cb 0.29 -5.69 -0.14 0.00 -0.02 0.00 0.00 31.44 25.87 1upq n GLU 92 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1upq s GLU 93 N -6.03 3.10 -0.03 3.49 2.02 -1.26 -4.91 118.70 115.08 1upq s GLU 93 Ca 0.33 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 1upq s GLU 93 Cb -0.15 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.10 1upq s GLU 93 CO 0.76 -0.30 0.04 -1.13 0.02 0.00 0.00 175.26 174.66 1upq n SER 94 N 4.74 -3.15 -4.70 -0.19 3.41 -1.26 -4.71 113.62 107.75 1upq n SER 94 Ca -0.17 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.61 1upq n SER 94 Cb 0.49 -2.55 -0.03 0.00 -0.26 0.00 0.00 64.21 61.86 1upq n SER 94 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1upq s VAL 95 N -0.23 2.42 -0.11 -3.33 1.01 -1.26 -4.58 120.40 114.32 1upq s VAL 95 Ca -0.05 0.14 0.21 0.00 0.00 0.00 0.00 61.98 62.27 1upq s VAL 95 Cb 0.00 -3.09 -0.23 0.00 0.00 0.00 0.00 36.38 33.07 1upq s VAL 95 CO 0.14 0.00 0.56 0.18 0.00 0.00 0.00 175.10 175.99 1upq n LEU 96 N 4.87 0.30 -3.47 3.92 4.77 0.65 -5.00 117.00 123.04 1upq n LEU 96 Ca 0.16 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1upq n LEU 96 Cb 0.37 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1upq n LEU 96 CO 0.64 0.08 0.51 -0.83 -1.33 0.00 0.00 177.39 176.46 1upq s GLY 97 N -4.71 -0.55 0.05 -0.72 0.00 -1.15 -5.00 107.32 95.23 1upq s GLY 97 Ca -0.06 0.86 -0.19 0.00 0.00 0.00 0.00 44.72 45.33 1upq s GLY 97 CO 0.86 0.39 0.43 -1.35 0.00 0.00 0.00 173.10 173.43 1upq s SER 98 N -2.33 -0.31 -0.04 1.64 1.04 -1.26 -1.24 113.70 111.21 1upq s SER 98 Ca -0.00 0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.45 1upq s SER 98 Cb -0.01 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1upq s SER 98 CO -0.07 -0.68 -0.02 -0.69 0.98 0.00 0.00 173.24 172.75 1upq s VAL 99 N -2.53 0.37 -0.56 5.02 1.01 0.30 -4.90 120.40 119.11 1upq s VAL 99 Ca -0.05 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 1upq s VAL 99 Cb -0.01 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1upq s VAL 99 CO -0.03 0.19 1.07 -0.22 0.00 0.00 0.00 175.10 176.11 1upq s LEU 100 N 1.02 3.77 0.37 3.92 2.96 -1.26 -1.02 118.68 128.44 1upq s LEU 100 Ca -0.10 -0.09 0.20 0.00 -0.22 0.00 0.00 54.13 53.92 1upq s LEU 100 Cb -0.14 -3.02 0.45 0.00 0.50 0.00 0.00 46.19 43.98 1upq s LEU 100 CO -0.01 -1.34 1.62 -0.07 -1.32 0.00 0.00 176.35 175.23 1upq h LEU 101 N 11.43 0.00 -1.89 -0.68 3.38 -1.53 -3.36 115.31 122.65 1upq h LEU 101 Ca -0.25 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.89 1upq h LEU 101 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1upq h LEU 101 CO 1.13 0.32 0.58 -0.65 0.09 0.00 0.00 178.44 179.91 1upq h PRO 102 N 0.00 0.00 -0.01 1.13 0.11 -1.73 -0.35 132.00 131.15 1upq h PRO 102 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1upq h PRO 102 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1upq h PRO 102 CO 0.04 0.00 -0.33 -1.13 -0.21 0.00 0.00 178.00 176.37 1upq n SER 103 N -3.80 1.01 -4.90 -2.05 3.41 -1.26 -4.75 113.62 101.29 1upq n SER 103 Ca 0.12 -0.83 -0.28 0.00 -0.26 0.00 0.00 58.87 57.61 1upq n SER 103 Cb 0.81 0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.94 1upq n SER 103 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1upq s TYR 104 N -2.59 3.52 -0.10 7.33 1.51 -0.14 -4.80 117.35 122.07 1upq s TYR 104 Ca 0.21 0.83 0.02 0.00 -1.01 0.00 0.00 57.07 57.12 1upq s TYR 104 Cb 0.19 -2.29 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1upq s TYR 104 CO 0.56 -0.13 -0.15 -0.80 -1.11 0.00 0.00 175.55 173.93 1upq s ASN 105 N -3.65 3.93 -0.13 2.29 -0.87 -0.31 -4.84 114.94 111.37 1upq s ASN 105 Ca 0.48 -0.30 0.02 0.00 -1.57 0.00 0.00 52.86 51.49 1upq s ASN 105 Cb -0.10 -1.29 0.01 0.00 -0.02 0.00 0.00 41.25 39.85 1upq s ASN 105 CO 0.38 0.23 -0.19 -0.63 -2.57 0.00 0.00 177.10 174.32 1upq s ILE 106 N -0.06 1.82 0.00 0.60 1.09 -1.26 -1.19 121.20 122.20 1upq s ILE 106 Ca -0.03 -0.83 0.01 0.00 -1.10 0.00 0.00 60.65 58.70 1upq s ILE 106 Cb -0.14 -1.63 -0.01 0.00 -1.06 0.00 0.00 42.46 39.63 1upq s ILE 106 CO 0.04 0.50 -0.04 -0.13 -0.10 0.00 0.00 174.94 175.22 1upq s ARG 107 N 0.92 0.28 0.60 2.79 0.52 -0.63 -4.97 118.95 118.46 1upq s ARG 107 Ca -0.06 -0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 54.76 1upq s ARG 107 Cb -0.15 -0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.08 1upq s ARG 107 CO -0.02 0.05 1.09 -1.25 0.02 0.00 0.00 175.30 175.19 1upq s PRO 108 N -0.36 3.15 0.02 3.54 0.04 -1.26 -0.92 135.00 139.21 1upq s PRO 108 Ca -0.02 1.38 0.26 0.00 0.04 0.00 0.00 61.00 62.66 1upq s PRO 108 Cb -0.03 -2.00 0.66 0.00 0.04 0.00 0.00 34.50 33.17 1upq s PRO 108 CO -0.00 -0.97 1.53 -0.25 0.04 0.00 0.00 177.00 177.35 1upq n ASP 109 N -1.95 0.42 0.00 6.66 8.00 -0.47 -4.85 116.55 124.36 1upq n ASP 109 Ca 0.10 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1upq n ASP 109 Cb 0.52 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1upq n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1upq n GLY 110 N 1.48 -2.53 3.72 0.44 0.00 -1.26 -4.88 105.19 102.15 1upq n GLY 110 Ca 0.06 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1upq n GLY 110 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1upq s PRO 111 N -0.44 1.56 0.00 1.61 0.02 -1.26 -4.35 135.00 132.14 1upq s PRO 111 Ca 0.00 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.40 1upq s PRO 111 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1upq s PRO 111 CO 0.00 -2.20 0.00 0.41 -0.33 0.00 0.00 177.00 174.88 1upq n GLY 112 N -0.43 0.64 3.98 0.52 0.00 -1.26 -4.42 105.19 104.22 1upq n GLY 112 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1upq n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upq n ALA 113 N -1.99 -2.23 0.25 4.61 0.00 -1.26 -4.84 120.51 115.05 1upq n ALA 113 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.17 1upq n ALA 113 Cb 0.00 -2.14 0.61 0.00 0.00 0.00 0.00 19.45 17.92 1upq n ALA 113 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1upq h PRO 114 N -1.98 0.00 -0.27 0.00 0.13 -1.80 -0.23 132.00 127.85 1upq h PRO 114 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1upq h PRO 114 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1upq h PRO 114 CO 0.59 0.07 0.00 0.54 -0.23 0.00 0.00 178.00 178.97 1upq n ARG 115 N -4.38 1.77 -0.04 0.86 1.74 -1.26 -4.91 116.66 110.44 1upq n ARG 115 Ca -0.03 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 1upq n ARG 115 Cb 0.15 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1upq n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1upq n GLY 116 N 1.08 1.07 3.30 -0.13 0.00 -0.10 -5.03 105.19 105.39 1upq n GLY 116 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1upq n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upq s ARG 117 N -0.63 1.21 0.71 1.61 0.52 -1.26 -5.08 118.95 116.03 1upq s ARG 117 Ca 0.00 -1.55 -0.11 0.00 -0.52 0.00 0.00 55.73 53.54 1upq s ARG 117 Cb 0.00 -0.77 0.02 0.00 0.52 0.00 0.00 34.95 34.72 1upq s ARG 117 CO 0.00 0.06 1.08 1.03 0.02 0.00 0.00 175.30 177.49 1upq s ARG 118 N -3.75 2.83 -1.28 3.54 0.52 -1.26 -4.45 118.95 115.10 1upq s ARG 118 Ca 0.21 0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 56.04 1upq s ARG 118 Cb 0.03 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.50 1upq s ARG 118 CO 0.04 -1.11 1.10 1.19 0.02 0.00 0.00 175.30 176.55 1upq n PHE 119 N -3.09 -2.57 -3.80 -0.53 3.72 -1.26 -4.52 117.46 105.41 1upq n PHE 119 Ca 0.07 0.98 -0.26 0.00 -0.05 0.00 0.00 57.45 58.19 1upq n PHE 119 Cb 0.56 -5.06 -0.03 0.00 -0.94 0.00 0.00 39.48 34.01 1upq n PHE 119 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1upq s THR 120 N -3.34 5.25 0.10 4.37 -4.23 -1.26 -1.57 115.64 114.96 1upq s THR 120 Ca 0.32 -0.58 -0.16 0.00 -1.18 0.00 0.00 61.69 60.09 1upq s THR 120 Cb -0.14 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 69.97 1upq s THR 120 CO 0.73 -0.20 0.39 0.72 -0.54 0.00 0.00 174.62 175.72 1upq s PHE 121 N -1.87 -0.20 -0.09 3.99 -0.71 -0.11 -1.36 117.98 117.62 1upq s PHE 121 Ca 0.36 -0.03 0.01 0.00 -1.04 0.00 0.00 56.93 56.23 1upq s PHE 121 Cb -0.11 0.23 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 1upq s PHE 121 CO 0.29 -0.65 -0.10 0.99 -1.34 0.00 0.00 175.22 174.41 1upq s THR 122 N -3.37 1.10 -0.25 -4.49 2.01 -0.09 -1.22 115.64 109.33 1upq s THR 122 Ca 0.00 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 1upq s THR 122 Cb 0.01 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1upq s THR 122 CO -0.09 0.36 0.07 0.00 -0.69 0.00 0.00 174.62 174.28 1upq s ALA 123 N 1.17 3.18 0.05 7.40 0.00 0.56 -1.61 121.76 132.51 1upq s ALA 123 Ca -0.05 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1upq s ALA 123 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1upq s ALA 123 CO -0.02 -0.45 -0.05 -1.83 0.00 0.00 0.00 175.76 173.40 1upq s GLU 124 N 1.55 0.54 -0.26 0.00 4.04 -0.33 -0.61 118.70 123.63 1upq s GLU 124 Ca 0.06 -0.94 -0.12 0.00 0.04 0.00 0.00 54.97 54.01 1upq s GLU 124 Cb -0.15 -0.03 0.09 0.00 0.02 0.00 0.00 34.13 34.07 1upq s GLU 124 CO 0.04 -0.03 0.60 -1.58 -1.84 0.00 0.00 175.26 172.44 1upq s HIS 125 N -2.49 -1.05 0.21 4.83 2.46 -1.26 -1.16 115.29 116.83 1upq s HIS 125 Ca -0.03 1.99 -0.32 0.00 0.47 0.00 0.00 55.06 57.17 1upq s HIS 125 Cb -0.02 0.59 -0.14 0.00 -0.13 0.00 0.00 32.58 32.88 1upq s HIS 125 CO -0.04 -0.54 1.40 -2.30 -2.47 0.00 0.00 174.74 170.79 1upq n PRO 126 N 4.79 1.88 -0.19 2.88 -0.02 -1.26 -0.72 135.00 142.36 1upq n PRO 126 Ca -0.17 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1upq n PRO 126 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1upq n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upq n GLY 127 N 2.38 1.92 3.63 -1.23 0.00 -1.26 -5.02 105.19 105.61 1upq n GLY 127 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1upq n GLY 127 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upq s MET 128 N -0.25 2.23 0.22 1.61 -1.94 0.10 -5.09 119.30 116.19 1upq s MET 128 Ca 0.00 -1.46 -0.31 0.00 -1.71 0.00 0.00 55.69 52.21 1upq s MET 128 Cb 0.00 -2.12 -0.10 0.00 2.01 0.00 0.00 34.83 34.62 1upq s MET 128 CO 0.00 0.35 1.50 -0.98 -0.01 0.00 0.00 175.02 175.88 1upq s ARG 129 N -3.66 4.23 0.12 2.03 1.70 -1.26 -4.56 118.95 117.55 1upq s ARG 129 Ca 0.31 2.35 -0.25 0.00 -0.47 0.00 0.00 55.73 57.67 1upq s ARG 129 Cb -0.06 -3.12 -0.07 0.00 -0.57 0.00 0.00 34.95 31.13 1upq s ARG 129 CO 0.19 -0.51 0.78 0.99 -1.08 0.00 0.00 175.30 175.68 1upq s THR 130 N 0.41 4.51 -0.28 4.99 2.01 -1.26 -4.71 115.64 121.31 1upq s THR 130 Ca 0.64 1.70 -0.08 0.00 0.31 0.00 0.00 61.69 64.26 1upq s THR 130 Cb -0.43 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 67.93 1upq s THR 130 CO 0.39 0.45 0.09 -0.31 -0.69 0.00 0.00 174.62 174.56 1upq s TYR 131 N -0.68 3.12 -0.30 4.92 1.51 0.22 -4.98 117.35 121.16 1upq s TYR 131 Ca 0.37 -0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 55.74 1upq s TYR 131 Cb -0.22 -2.27 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 1upq s TYR 131 CO 0.25 -0.45 0.09 0.08 -1.11 0.00 0.00 175.55 174.42 1upq s VAL 132 N 1.58 4.09 0.08 0.71 1.01 -1.26 -0.32 120.40 126.29 1upq s VAL 132 Ca 0.05 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1upq s VAL 132 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1upq s VAL 132 CO 0.04 0.09 -0.16 -0.76 0.00 0.00 0.00 175.10 174.30 1upq s LEU 133 N 1.52 2.28 -0.06 3.92 1.43 -0.36 -1.23 118.68 126.20 1upq s LEU 133 Ca 0.03 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1upq s LEU 133 Cb -0.17 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.45 1upq s LEU 133 CO 0.03 -0.04 -0.06 0.00 0.23 0.00 0.00 176.35 176.52 1upq s ALA 134 N -1.24 0.84 0.46 4.21 0.00 0.41 -0.93 121.76 125.51 1upq s ALA 134 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 1upq s ALA 134 Cb -0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1upq s ALA 134 CO 0.03 -0.05 0.72 0.00 0.00 0.00 0.00 175.76 176.46 1upq s ALA 135 N 1.01 3.55 -0.01 0.00 0.00 -0.61 -1.20 121.76 124.50 1upq s ALA 135 Ca -0.09 -0.79 0.12 0.00 0.00 0.00 0.00 51.96 51.19 1upq s ALA 135 Cb -0.14 -2.36 -0.18 0.00 0.00 0.00 0.00 23.12 20.44 1upq s ALA 135 CO -0.00 -0.37 0.95 -0.44 0.00 0.00 0.00 175.76 175.90 1upq h ASP 136 N 0.32 0.00 -5.61 0.00 3.32 -1.88 -3.43 116.42 109.13 1upq h ASP 136 Ca -0.47 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.31 1upq h ASP 136 Cb 1.23 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 1upq h ASP 136 CO 0.60 0.89 -0.52 0.42 -1.72 0.00 0.00 179.24 178.91 1upq s THR 137 N -2.72 0.00 0.17 0.35 -4.23 -1.26 -5.05 115.64 102.90 1upq s THR 137 Ca -0.02 -1.92 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 1upq s THR 137 Cb 0.09 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.51 1upq s THR 137 CO 0.81 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.94 1upq h LEU 138 N 2.46 0.66 -0.87 4.79 5.85 -1.98 -0.79 115.31 125.43 1upq h LEU 138 Ca -0.32 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 1upq h LEU 138 Cb 1.25 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1upq h LEU 138 CO 0.47 0.54 0.18 -0.08 -0.34 0.00 0.00 178.44 179.21 1upq h GLU 139 N 0.72 1.01 -0.05 1.25 4.57 -1.99 0.31 114.58 120.41 1upq h GLU 139 Ca 0.19 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1upq h GLU 139 Cb 0.01 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1upq h GLU 139 CO -0.03 0.89 -0.16 0.22 -1.18 0.00 0.00 179.01 178.75 1upq h ASP 140 N 0.97 -0.47 -0.57 1.04 3.58 -1.94 -2.08 116.42 116.95 1upq h ASP 140 Ca 0.21 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.79 1upq h ASP 140 Cb 0.32 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 1upq h ASP 140 CO -0.00 -0.21 0.30 0.25 -2.88 0.00 0.00 179.24 176.70 1upq h LEU 141 N -0.23 0.44 -0.12 2.28 5.85 -0.52 -2.10 115.31 120.92 1upq h LEU 141 Ca 0.07 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1upq h LEU 141 Cb 0.33 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1upq h LEU 141 CO -0.19 0.30 0.04 -0.09 -0.34 0.00 0.00 178.44 178.16 1upq h ARG 142 N 0.58 0.10 -0.66 1.25 2.43 -0.76 -0.70 114.38 116.61 1upq h ARG 142 Ca 0.25 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1upq h ARG 142 Cb 0.15 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1upq h ARG 142 CO -0.17 0.06 0.28 0.78 -1.51 0.00 0.00 179.97 179.41 1upq h GLY 143 N 0.10 1.06 0.87 2.80 0.00 -1.21 -1.76 103.07 104.93 1upq h GLY 143 Ca 0.05 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1upq h GLY 143 CO -0.05 0.54 0.06 1.49 0.00 0.00 0.00 176.54 178.57 1upq h TRP 144 N 0.94 0.38 -0.65 5.60 4.06 -1.16 -1.60 115.95 123.52 1upq h TRP 144 Ca 0.22 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 1upq h TRP 144 Cb 0.19 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 1upq h TRP 144 CO 0.01 0.46 0.33 -0.07 -3.56 0.00 0.00 178.44 175.61 1upq h LEU 145 N 0.20 0.82 -0.05 -4.49 3.38 -1.02 0.62 115.31 114.76 1upq h LEU 145 Ca 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1upq h LEU 145 Cb 0.26 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1upq h LEU 145 CO -0.00 0.69 0.02 -0.09 0.09 0.00 0.00 178.44 179.15 1upq h ARG 146 N 0.92 0.08 -0.45 1.13 2.43 -1.19 -0.98 114.38 116.31 1upq h ARG 146 Ca 0.23 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1upq h ARG 146 Cb 0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1upq h ARG 146 CO -0.03 0.19 -0.11 0.00 -1.51 0.00 0.00 179.97 178.50 1upq h ALA 147 N 0.88 0.62 -0.09 2.80 0.00 -0.88 -1.97 119.26 120.63 1upq h ALA 147 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1upq h ALA 147 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1upq h ALA 147 CO -0.00 0.52 -0.44 -0.07 0.00 0.00 0.00 179.25 179.26 1upq h LEU 148 N 0.71 0.21 -0.51 0.00 3.38 -0.87 -1.41 115.31 116.81 1upq h LEU 148 Ca 0.11 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1upq h LEU 148 Cb 0.66 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1upq h LEU 148 CO 0.05 0.62 0.10 1.23 0.09 0.00 0.00 178.44 180.53 1upq h GLY 149 N 1.27 0.90 1.29 0.83 0.00 -0.92 -1.38 103.07 105.07 1upq h GLY 149 Ca 0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 1upq h GLY 149 CO 0.07 0.54 -0.21 3.21 0.00 0.00 0.00 176.54 180.15 1upq h ARG 150 N 0.72 0.81 0.00 4.80 3.08 -0.93 -2.13 114.38 120.74 1upq h ARG 150 Ca 0.16 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1upq h ARG 150 Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1upq h ARG 150 CO 0.01 0.95 -0.43 0.00 -1.07 0.00 0.00 179.97 179.43 1upq h ALA 151 N 1.05 1.23 -0.02 0.04 0.00 -1.08 -2.71 119.26 117.77 1upq h ALA 151 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1upq h ALA 151 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1upq h ALA 151 CO 0.06 0.53 -0.02 -1.13 0.00 0.00 0.00 179.25 178.69 1upq n SER 152 N -3.94 1.82 -0.17 0.00 3.41 -0.54 -3.66 113.62 110.54 1upq n SER 152 Ca -0.02 -1.57 0.02 0.00 -0.26 0.00 0.00 58.87 57.04 1upq n SER 152 Cb 0.46 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1upq n SER 152 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42