#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1z h ILE 4 N 0.00 1.04 0.00 2.12 6.09 -1.94 -2.29 117.51 122.53 1u1z h ILE 4 Ca 0.00 -0.26 -0.10 0.00 -1.37 0.00 0.00 64.86 63.13 1u1z h ILE 4 Cb 0.00 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 37.48 1u1z h ILE 4 CO 0.00 0.14 -0.47 0.78 -3.07 0.00 0.00 178.15 175.53 1u1z h ASN 5 N 0.77 0.00 -0.14 2.19 2.35 -1.98 -0.76 115.58 118.01 1u1z h ASN 5 Ca 0.30 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.83 1u1z h ASN 5 Cb 0.20 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.58 1u1z h ASN 5 CO -0.10 0.47 -0.79 -0.33 -1.65 0.00 0.00 177.43 175.04 1u1z h GLU 6 N 0.00 0.77 -0.72 0.81 5.08 -1.91 -2.89 114.58 115.73 1u1z h GLU 6 Ca -0.00 -0.65 0.02 0.00 -1.00 0.00 0.00 59.36 57.73 1u1z h GLU 6 Cb 0.86 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 1u1z h GLU 6 CO 0.06 1.25 0.46 0.82 -1.00 0.00 0.00 179.01 180.61 1u1z h ILE 7 N 0.50 1.13 0.00 3.13 2.04 -1.12 -0.58 117.51 122.61 1u1z h ILE 7 Ca -0.06 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1u1z h ILE 7 Cb 1.42 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1u1z h ILE 7 CO 0.16 0.17 0.00 0.54 0.00 0.00 0.00 178.15 179.02 1u1z n ARG 8 N -4.63 0.06 0.08 2.37 1.74 -0.32 -0.59 116.66 115.38 1u1z n ARG 8 Ca 0.07 0.21 -0.03 0.00 -0.77 0.00 0.00 57.85 57.33 1u1z n ARG 8 Cb 0.06 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 1u1z n ARG 8 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1u1z h GLU 9 N 0.00 0.00 0.06 5.56 5.08 -0.89 -3.37 114.58 121.01 1u1z h GLU 9 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1u1z h GLU 9 Cb 0.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1u1z h GLU 9 CO 0.00 0.71 -2.25 0.66 -1.00 0.00 0.00 179.01 177.13 1u1z n TYR 10 N -3.23 0.59 -3.84 4.33 4.01 -0.53 -4.62 117.16 113.86 1u1z n TYR 10 Ca -0.02 0.13 -0.35 0.00 -0.16 0.00 0.00 57.90 57.50 1u1z n TYR 10 Cb 0.87 -1.08 -0.09 0.00 -0.31 0.00 0.00 39.34 38.73 1u1z n TYR 10 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1u1z s LEU 11 N -6.79 4.00 0.02 7.72 1.43 0.25 -4.93 118.68 120.38 1u1z s LEU 11 Ca -0.29 0.14 0.26 0.00 -1.03 0.00 0.00 54.13 53.21 1u1z s LEU 11 Cb 0.08 -2.03 1.10 0.00 0.03 0.00 0.00 46.19 45.37 1u1z s LEU 11 CO 0.68 0.16 1.83 -0.81 0.23 0.00 0.00 176.35 178.44 1u1z n PRO 12 N 3.67 0.02 -1.61 1.29 -0.04 -1.26 -4.51 135.00 132.57 1u1z n PRO 12 Ca -0.16 0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 1u1z n PRO 12 Cb 0.52 -1.52 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 1u1z n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1u1z n HIS 13 N -1.55 1.61 -4.10 0.54 8.25 -1.26 -5.04 115.22 113.67 1u1z n HIS 13 Ca 0.06 0.42 -0.15 0.00 -0.26 0.00 0.00 57.72 57.79 1u1z n HIS 13 Cb 0.31 -2.22 -0.04 0.00 1.12 0.00 0.00 29.99 29.16 1u1z n HIS 13 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1u1z s ARG 14 N -3.39 1.90 0.29 -0.41 1.81 -1.26 -4.74 118.95 113.15 1u1z s ARG 14 Ca 0.80 -1.77 -0.30 0.00 -1.72 0.00 0.00 55.73 52.74 1u1z s ARG 14 Cb -0.37 0.44 -0.12 0.00 -0.45 0.00 0.00 34.95 34.44 1u1z s ARG 14 CO 0.43 -0.78 1.45 0.98 -0.68 0.00 0.00 175.30 176.70 1u1z n TYR 15 N -0.57 2.46 -1.84 -0.53 4.19 -1.26 0.14 117.16 119.75 1u1z n TYR 15 Ca 0.01 0.40 -0.37 0.00 3.31 0.00 0.00 57.90 61.25 1u1z n TYR 15 Cb 0.62 -2.50 0.04 0.00 0.49 0.00 0.00 39.34 37.99 1u1z n TYR 15 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1u1z n PRO 16 N 1.66 2.82 -0.57 2.98 -0.04 -1.26 -4.95 135.00 135.64 1u1z n PRO 16 Ca 0.08 -3.57 0.04 0.00 -0.04 0.00 0.00 63.50 60.02 1u1z n PRO 16 Cb 0.35 -2.27 0.07 0.00 -0.04 0.00 0.00 33.50 31.60 1u1z n PRO 16 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1u1z n PHE 17 N -0.62 0.00 -3.45 0.54 3.01 0.36 -4.97 117.46 112.33 1u1z n PHE 17 Ca 0.54 -0.56 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 1u1z n PHE 17 Cb 0.37 -0.12 -0.09 0.00 -0.01 0.00 0.00 39.48 39.63 1u1z n PHE 17 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1u1z s LEU 18 N -1.22 5.24 -0.32 4.37 2.96 -1.15 -4.53 118.68 124.03 1u1z s LEU 18 Ca 0.20 -1.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.13 1u1z s LEU 18 Cb 0.19 -2.15 0.50 0.00 0.50 0.00 0.00 46.19 45.23 1u1z s LEU 18 CO -0.03 -0.51 1.48 0.18 -1.32 0.00 0.00 176.35 176.16 1u1z n LEU 19 N 5.16 4.53 -3.80 -0.68 4.77 -1.26 -4.89 117.00 120.82 1u1z n LEU 19 Ca -0.11 -3.94 -0.26 0.00 -0.03 0.00 0.00 56.01 51.66 1u1z n LEU 19 Cb 0.46 -0.63 -0.17 0.00 -2.33 0.00 0.00 43.42 40.75 1u1z n LEU 19 CO 0.43 1.39 -0.39 -0.69 -1.33 0.00 0.00 177.39 176.79 1u1z s VAL 20 N -3.52 0.68 -0.19 4.08 1.01 -1.26 -4.64 120.40 116.56 1u1z s VAL 20 Ca 0.47 -0.35 0.22 0.00 0.00 0.00 0.00 61.98 62.32 1u1z s VAL 20 Cb 0.42 -0.95 -0.13 0.00 0.00 0.00 0.00 36.38 35.71 1u1z s VAL 20 CO 0.00 0.07 0.84 0.47 0.00 0.00 0.00 175.10 176.48 1u1z n ASP 21 N 5.02 0.53 -3.63 3.32 8.00 0.13 -4.97 116.55 124.95 1u1z n ASP 21 Ca -0.09 0.17 -0.09 0.00 0.71 0.00 0.00 54.79 55.48 1u1z n ASP 21 Cb 0.48 1.03 -0.07 0.00 -0.02 0.00 0.00 41.12 42.55 1u1z n ASP 21 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1u1z s ARG 22 N -3.41 0.52 -0.27 -1.24 3.52 -0.93 -4.30 118.95 112.84 1u1z s ARG 22 Ca -0.03 0.58 -0.09 0.00 -0.13 0.00 0.00 55.73 56.06 1u1z s ARG 22 Cb 0.11 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.73 1u1z s ARG 22 CO 0.83 -0.07 0.12 0.08 -0.81 0.00 0.00 175.30 175.45 1u1z s VAL 23 N 0.14 4.60 -0.16 7.11 1.01 -1.26 -0.37 120.40 131.47 1u1z s VAL 23 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1u1z s VAL 23 Cb -0.05 -3.21 -0.23 0.00 0.00 0.00 0.00 36.38 32.89 1u1z s VAL 23 CO -0.05 0.25 0.21 1.33 0.00 0.00 0.00 175.10 176.83 1u1z n VAL 24 N 4.97 1.63 -4.02 2.92 0.24 0.49 -4.81 118.33 119.75 1u1z n VAL 24 Ca -0.15 -0.67 -0.13 0.00 -2.04 0.00 0.00 64.34 61.35 1u1z n VAL 24 Cb 0.51 -1.40 -0.13 0.00 -1.47 0.00 0.00 33.84 31.35 1u1z n VAL 24 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1u1z s GLU 25 N -2.55 0.31 -0.39 7.34 2.12 -0.46 -5.00 118.70 120.07 1u1z s GLU 25 Ca -0.22 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.75 1u1z s GLU 25 Cb 0.07 -0.15 0.13 0.00 0.26 0.00 0.00 34.13 34.45 1u1z s GLU 25 CO 0.73 0.03 0.21 -1.17 -0.54 0.00 0.00 175.26 174.52 1u1z s LEU 26 N -0.74 1.97 -0.87 2.70 2.96 -1.26 -1.24 118.68 122.20 1u1z s LEU 26 Ca -0.06 -2.31 -0.19 0.00 -0.22 0.00 0.00 54.13 51.35 1u1z s LEU 26 Cb -0.05 -0.77 0.12 0.00 0.50 0.00 0.00 46.19 45.99 1u1z s LEU 26 CO -0.00 -0.30 1.07 -0.62 -1.32 0.00 0.00 176.35 175.17 1u1z s ASP 27 N 0.81 6.54 0.07 3.68 2.15 -0.48 -4.88 116.67 124.56 1u1z s ASP 27 Ca 0.17 -1.89 -0.15 0.00 0.43 0.00 0.00 52.55 51.10 1u1z s ASP 27 Cb -0.23 -2.39 -0.16 0.00 -0.30 0.00 0.00 42.92 39.84 1u1z s ASP 27 CO -0.03 -1.10 1.28 0.40 -0.17 0.00 0.00 175.17 175.54 1u1z h ILE 28 N 5.82 1.32 -0.56 4.11 2.04 -1.96 0.16 117.51 128.44 1u1z h ILE 28 Ca 0.07 -1.86 0.05 0.00 1.00 0.00 0.00 64.86 64.11 1u1z h ILE 28 Cb 1.03 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 39.14 1u1z h ILE 28 CO 1.10 0.58 0.37 -0.08 0.00 0.00 0.00 178.15 180.12 1u1z h GLU 29 N 0.33 0.58 -0.39 2.37 4.81 -1.96 -0.91 114.58 119.39 1u1z h GLU 29 Ca -0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1u1z h GLU 29 Cb 1.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1u1z h GLU 29 CO 0.13 0.38 0.00 0.41 -0.73 0.00 0.00 179.01 179.20 1u1z n GLY 30 N -1.48 1.56 3.93 1.92 0.00 -1.17 -4.99 105.19 104.96 1u1z n GLY 30 Ca 0.07 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1u1z n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u1z n LYS 31 N 1.32 -2.42 -3.99 1.61 5.02 0.37 -4.80 118.16 115.26 1u1z n LYS 31 Ca 0.19 0.37 -0.08 0.00 -2.02 0.00 0.00 58.31 56.77 1u1z n LYS 31 Cb 0.56 -4.21 -0.09 0.00 -0.02 0.00 0.00 35.03 31.27 1u1z n LYS 31 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1u1z s ARG 32 N -6.55 0.67 0.03 1.97 1.70 -0.14 -1.36 118.95 115.27 1u1z s ARG 32 Ca 0.15 -1.05 0.01 0.00 -0.47 0.00 0.00 55.73 54.37 1u1z s ARG 32 Cb -0.06 0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 1u1z s ARG 32 CO 0.90 -0.16 -0.05 -1.50 -1.08 0.00 0.00 175.30 173.40 1u1z s ILE 33 N -3.63 0.31 -0.10 4.99 2.07 -0.59 -1.38 121.20 122.87 1u1z s ILE 33 Ca 0.04 -0.83 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 1u1z s ILE 33 Cb 0.05 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.27 1u1z s ILE 33 CO -0.09 -0.35 -0.09 -0.13 -1.91 0.00 0.00 174.94 172.37 1u1z s ARG 34 N -1.25 1.55 0.35 3.50 0.52 -0.37 -2.50 118.95 120.75 1u1z s ARG 34 Ca -0.10 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1u1z s ARG 34 Cb -0.08 -1.50 -0.00 0.00 0.52 0.00 0.00 34.95 33.88 1u1z s ARG 34 CO -0.00 -0.18 0.45 0.00 0.02 0.00 0.00 175.30 175.59 1u1z s ALA 35 N 1.38 1.04 0.16 2.13 0.00 -0.50 -0.38 121.76 125.58 1u1z s ALA 35 Ca -0.01 -1.66 -0.15 0.00 0.00 0.00 0.00 51.96 50.13 1u1z s ALA 35 Cb -0.14 1.21 0.02 0.00 0.00 0.00 0.00 23.12 24.22 1u1z s ALA 35 CO -0.04 -0.77 0.43 1.52 0.00 0.00 0.00 175.76 176.89 1u1z s TYR 36 N -3.01 -0.07 -0.06 0.00 1.13 0.50 -0.08 117.35 115.76 1u1z s TYR 36 Ca 0.33 -0.27 0.03 0.00 -1.41 0.00 0.00 57.07 55.75 1u1z s TYR 36 Cb -0.00 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 41.12 1u1z s TYR 36 CO 0.23 -0.79 -0.14 0.21 -2.51 0.00 0.00 175.55 172.55 1u1z s LYS 37 N -3.86 1.72 -0.06 -3.49 2.36 -0.23 -0.69 119.74 115.50 1u1z s LYS 37 Ca 0.08 -0.48 -0.23 0.00 -2.55 0.00 0.00 55.97 52.79 1u1z s LYS 37 Cb 0.01 -1.44 -0.04 0.00 -1.05 0.00 0.00 37.83 35.31 1u1z s LYS 37 CO -0.06 0.11 0.67 -0.80 1.55 0.00 0.00 175.35 176.81 1u1z s ASN 38 N 0.42 6.97 -0.19 1.43 0.01 -1.26 -0.42 114.94 121.89 1u1z s ASN 38 Ca -0.11 1.16 -0.12 0.00 -0.71 0.00 0.00 52.86 53.09 1u1z s ASN 38 Cb -0.14 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 1u1z s ASN 38 CO 0.03 -0.07 0.21 -0.69 -1.51 0.00 0.00 177.10 175.07 1u1z s VAL 39 N 0.59 5.35 0.02 1.60 1.01 -0.55 -4.96 120.40 123.46 1u1z s VAL 39 Ca 0.35 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1u1z s VAL 39 Cb -0.18 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1u1z s VAL 39 CO 0.17 0.40 -0.03 -0.55 0.00 0.00 0.00 175.10 175.09 1u1z s SER 40 N 0.55 0.34 0.04 3.32 0.15 -1.26 -1.90 113.70 114.94 1u1z s SER 40 Ca 0.12 -0.35 0.13 0.00 0.70 0.00 0.00 55.95 56.55 1u1z s SER 40 Cb -0.12 0.05 0.57 0.00 -1.71 0.00 0.00 66.02 64.81 1u1z s SER 40 CO 0.02 -0.17 1.42 0.00 1.20 0.00 0.00 173.24 175.70 1u1z n ILE 41 N 2.06 1.14 -1.32 6.45 0.13 -1.26 -2.99 119.36 123.57 1u1z n ILE 41 Ca -0.20 0.30 -0.26 0.00 -1.10 0.00 0.00 62.75 61.49 1u1z n ILE 41 Cb 0.56 -1.12 -0.00 0.00 -0.84 0.00 0.00 39.64 38.24 1u1z n ILE 41 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1u1z n ASN 42 N -1.60 6.70 -4.27 9.51 5.15 -1.26 -4.85 115.26 124.65 1u1z n ASN 42 Ca 0.03 -3.28 -0.30 0.00 -0.60 0.00 0.00 54.58 50.43 1u1z n ASN 42 Cb 0.15 -1.14 -0.16 0.00 -0.53 0.00 0.00 39.78 38.10 1u1z n ASN 42 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1u1z s GLU 43 N -2.19 2.08 0.39 1.20 2.02 -1.16 -5.05 118.70 115.99 1u1z s GLU 43 Ca 0.50 -0.85 0.18 0.00 0.02 0.00 0.00 54.97 54.82 1u1z s GLU 43 Cb 0.36 -1.93 1.10 0.00 0.10 0.00 0.00 34.13 33.75 1u1z s GLU 43 CO -0.15 0.47 1.74 -1.00 0.02 0.00 0.00 175.26 176.34 1u1z h PRO 44 N 5.71 0.38 0.00 0.39 0.13 -1.93 -2.72 132.00 133.97 1u1z h PRO 44 Ca -0.39 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1u1z h PRO 44 Cb 1.14 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1u1z h PRO 44 CO 0.47 0.25 -0.01 0.27 -0.23 0.00 0.00 178.00 178.76 1u1z h PHE 45 N 0.39 0.00 -0.10 1.56 -5.15 -1.96 -3.30 116.94 108.37 1u1z h PHE 45 Ca 0.63 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 58.33 1u1z h PHE 45 Cb 1.57 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.73 1u1z h PHE 45 CO -0.00 0.01 -0.24 0.74 -2.00 0.00 0.00 178.31 176.81 1u1z h PHE 46 N 0.00 0.19 0.00 6.09 0.05 -1.78 -2.47 116.94 119.03 1u1z h PHE 46 Ca -0.00 -0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.74 1u1z h PHE 46 Cb 0.63 -0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.53 1u1z h PHE 46 CO 0.00 0.41 -0.07 -0.91 -0.18 0.00 0.00 178.31 177.56 1u1z h ASN 47 N 0.16 0.00 -0.08 2.17 4.21 -1.78 -2.83 115.58 117.43 1u1z h ASN 47 Ca 0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1u1z h ASN 47 Cb 0.52 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1u1z h ASN 47 CO 0.04 0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.86 1u1z n GLY 48 N -0.80 0.37 2.37 2.83 0.00 -0.99 -3.66 105.19 105.30 1u1z n GLY 48 Ca -0.02 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 1u1z n GLY 48 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1u1z n HIS 49 N 0.77 -1.31 -4.19 1.61 -0.00 -0.96 -4.66 115.22 106.47 1u1z n HIS 49 Ca 0.09 -2.99 -0.11 0.00 -0.00 0.00 0.00 57.72 54.70 1u1z n HIS 49 Cb 0.36 0.25 -0.10 0.00 -0.00 0.00 0.00 29.99 30.50 1u1z n HIS 49 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1u1z s PHE 50 N -0.59 1.00 -0.05 1.57 0.40 0.27 -1.68 117.98 118.90 1u1z s PHE 50 Ca 0.34 -1.02 -0.36 0.00 -0.60 0.00 0.00 56.93 55.29 1u1z s PHE 50 Cb 0.19 -0.58 -0.14 0.00 0.51 0.00 0.00 43.02 43.00 1u1z s PHE 50 CO -0.15 -0.25 1.67 -2.30 0.70 0.00 0.00 175.22 174.89 1u1z n PRO 51 N -0.13 1.70 -0.91 0.24 -0.02 -1.24 -0.24 135.00 134.41 1u1z n PRO 51 Ca -0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1u1z n PRO 51 Cb 0.62 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1u1z n PRO 51 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u1z n GLU 52 N 4.79 -0.77 -2.94 -0.52 1.02 -1.26 -4.86 120.64 116.09 1u1z n GLU 52 Ca 0.22 0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 57.43 1u1z n GLU 52 Cb 0.23 -3.98 -0.02 0.00 -0.02 0.00 0.00 31.44 27.65 1u1z n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1u1z n HIS 53 N -2.29 -2.79 -2.14 -0.32 8.25 0.67 -5.12 115.22 111.48 1u1z n HIS 53 Ca 0.00 -2.07 -0.43 0.00 -0.26 0.00 0.00 57.72 54.97 1u1z n HIS 53 Cb 0.19 1.06 -0.03 0.00 1.12 0.00 0.00 29.99 32.34 1u1z n HIS 53 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1u1z s PRO 54 N 0.49 4.02 0.00 -0.41 0.04 -1.20 -0.56 135.00 137.38 1u1z s PRO 54 Ca 0.31 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1u1z s PRO 54 Cb 0.06 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1u1z s PRO 54 CO -0.12 -1.01 0.00 -0.89 0.04 0.00 0.00 177.00 175.01 1u1z n ILE 55 N 5.86 0.00 -4.53 0.56 5.41 -0.67 -4.59 119.36 121.39 1u1z n ILE 55 Ca 0.17 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.59 1u1z n ILE 55 Cb 0.44 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.25 1u1z n ILE 55 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1u1z s PRO 57 N 3.95 3.27 0.27 0.38 0.02 -1.26 -4.57 135.00 137.05 1u1z s PRO 57 Ca 0.00 -0.54 -0.04 0.00 0.02 0.00 0.00 61.00 60.43 1u1z s PRO 57 Cb 0.00 -2.76 0.33 0.00 0.02 0.00 0.00 34.50 32.09 1u1z s PRO 57 CO 0.00 0.42 1.94 0.78 -0.33 0.00 0.00 177.00 179.81 1u1z h GLY 58 N 6.09 1.31 1.54 0.52 0.00 -2.00 -1.31 103.07 109.22 1u1z h GLY 58 Ca -0.38 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.48 1u1z h GLY 58 CO 0.58 0.49 0.26 -0.39 0.00 0.00 0.00 176.54 177.48 1u1z h VAL 59 N 1.26 1.04 0.00 4.60 -1.51 -2.02 0.11 116.25 119.74 1u1z h VAL 59 Ca 0.34 -0.15 -0.10 0.00 -1.23 0.00 0.00 66.70 65.56 1u1z h VAL 59 Cb -0.13 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 29.58 1u1z h VAL 59 CO -0.07 0.08 -0.48 -0.07 -1.23 0.00 0.00 177.57 175.80 1u1z h LEU 60 N 0.44 0.00 -0.66 4.19 3.38 -1.68 -1.85 115.31 119.13 1u1z h LEU 60 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1u1z h LEU 60 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1u1z h LEU 60 CO -0.04 0.48 0.05 0.40 0.09 0.00 0.00 178.44 179.42 1u1z h ILE 61 N 0.00 1.26 -0.34 1.22 2.04 -0.50 -1.01 117.51 120.19 1u1z h ILE 61 Ca -0.00 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1u1z h ILE 61 Cb 0.95 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1u1z h ILE 61 CO 0.06 0.41 0.15 0.40 0.00 0.00 0.00 178.15 179.17 1u1z h ILE 62 N 1.01 1.17 -0.68 -0.67 2.04 -1.01 -2.67 117.51 116.70 1u1z h ILE 62 Ca 0.19 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.64 1u1z h ILE 62 Cb 0.51 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 1u1z h ILE 62 CO 0.02 0.18 0.32 -0.08 0.00 0.00 0.00 178.15 178.59 1u1z h GLU 63 N 0.40 0.53 -0.80 2.37 4.57 -1.02 -0.60 114.58 120.04 1u1z h GLU 63 Ca 0.11 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1u1z h GLU 63 Cb 0.15 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1u1z h GLU 63 CO -0.01 0.35 0.00 0.00 -1.18 0.00 0.00 179.01 178.17 1u1z n ALA 64 N -2.42 1.38 0.00 2.92 0.00 -0.41 -1.44 120.51 120.54 1u1z n ALA 64 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1u1z n ALA 64 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1u1z n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1z n ALA 66 N 0.62 0.00 -0.18 0.00 0.00 -0.23 -1.59 120.51 119.13 1u1z n ALA 66 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1u1z n ALA 66 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.51 1u1z n ALA 66 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u1z h GLN 67 N 0.00 0.85 -0.38 0.00 4.20 -1.50 -1.85 115.11 116.43 1u1z h GLN 67 Ca 0.00 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.36 1u1z h GLN 67 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1u1z h GLN 67 CO 0.00 0.85 -0.25 0.00 -0.67 0.00 0.00 178.83 178.76 1u1z h ALA 68 N 0.97 0.84 -0.20 3.87 0.00 -1.56 -2.91 119.26 120.27 1u1z h ALA 68 Ca 0.15 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1u1z h ALA 68 Cb 0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1u1z h ALA 68 CO 0.01 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.83 1u1z h ALA 69 N 1.04 0.11 -0.50 0.00 0.00 -1.77 -2.27 119.26 115.87 1u1z h ALA 69 Ca 0.09 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1u1z h ALA 69 Cb 0.77 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1u1z h ALA 69 CO 0.06 -0.49 0.15 0.78 0.00 0.00 0.00 179.25 179.75 1u1z h GLY 70 N -0.03 0.65 0.47 0.00 0.00 -1.19 0.11 103.07 103.08 1u1z h GLY 70 Ca 0.10 -0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.45 1u1z h GLY 70 CO -0.22 -0.02 0.32 -2.22 0.00 0.00 0.00 176.54 174.41 1u1z h ILE 71 N 0.31 0.84 -0.60 2.60 2.04 -1.26 -1.09 117.51 120.35 1u1z h ILE 71 Ca 0.24 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1u1z h ILE 71 Cb 0.29 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1u1z h ILE 71 CO -0.27 0.10 0.37 0.25 0.00 0.00 0.00 178.15 178.60 1u1z h LEU 72 N 0.56 0.62 -0.19 1.44 5.85 -0.54 -0.79 115.31 122.25 1u1z h LEU 72 Ca 0.33 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.08 1u1z h LEU 72 Cb 0.35 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1u1z h LEU 72 CO -0.27 0.44 -0.01 1.23 -0.34 0.00 0.00 178.44 179.49 1u1z h GLY 73 N 0.74 0.18 0.97 3.75 0.00 0.17 -2.61 103.07 106.27 1u1z h GLY 73 Ca 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 1u1z h GLY 73 CO -0.09 -0.04 0.16 0.74 0.00 0.00 0.00 176.54 177.31 1u1z h PHE 74 N 0.06 0.80 0.00 5.60 0.05 -1.10 -3.24 116.94 119.10 1u1z h PHE 74 Ca 0.09 -0.08 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1u1z h PHE 74 Cb 0.12 -0.23 0.00 0.00 2.00 0.00 0.00 35.95 37.84 1u1z h PHE 74 CO -0.18 0.69 0.00 1.17 -0.18 0.00 0.00 178.31 179.82 1u1z n LYS 75 N -4.50 0.04 0.00 1.51 3.00 -0.32 -1.81 118.16 116.07 1u1z n LYS 75 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1u1z n LYS 75 Cb 0.19 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.74 1u1z n LYS 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1u1z n LEU 77 N 1.80 0.00 -3.69 3.14 4.77 -1.22 -4.72 117.00 117.07 1u1z n LEU 77 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1u1z n LEU 77 Cb 0.02 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1u1z n LEU 77 CO 0.00 0.00 0.09 0.47 -1.33 0.00 0.00 177.39 176.62 1u1z n ASP 78 N 0.00 -4.98 -4.77 -1.43 8.00 -1.01 -4.96 116.55 107.39 1u1z n ASP 78 Ca 0.00 -0.63 -0.39 0.00 0.71 0.00 0.00 54.79 54.47 1u1z n ASP 78 Cb 0.00 -3.99 -0.06 0.00 -0.02 0.00 0.00 41.12 37.05 1u1z n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u1z s VAL 79 N -3.23 4.70 -0.69 2.53 1.01 -0.75 -5.02 120.40 118.96 1u1z s VAL 79 Ca 0.58 1.44 0.05 0.00 0.00 0.00 0.00 61.98 64.05 1u1z s VAL 79 Cb -0.29 -4.02 0.25 0.00 0.00 0.00 0.00 36.38 32.33 1u1z s VAL 79 CO 0.71 0.46 0.80 0.29 0.00 0.00 0.00 175.10 177.36 1u1z n LYS 80 N 2.26 2.66 -1.04 2.72 4.76 -1.26 -4.70 118.16 123.57 1u1z n LYS 80 Ca -0.06 -4.65 -0.30 0.00 -2.87 0.00 0.00 58.31 50.43 1u1z n LYS 80 Cb 0.50 -2.29 0.23 0.00 -1.84 0.00 0.00 35.03 31.63 1u1z n LYS 80 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1u1z s PRO 81 N -2.43 -0.87 -0.60 1.97 0.04 -1.26 -5.10 135.00 126.74 1u1z s PRO 81 Ca 0.38 0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.55 1u1z s PRO 81 Cb 0.12 -1.62 0.43 0.00 0.04 0.00 0.00 34.50 33.47 1u1z s PRO 81 CO -0.01 -3.52 2.02 0.41 0.04 0.00 0.00 177.00 175.94 1u1z n GLY 84 N -0.76 5.52 3.90 0.56 0.00 -1.26 -4.63 105.19 108.52 1u1z n GLY 84 Ca 0.10 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 1u1z n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1z s THR 85 N -4.35 5.37 -0.00 2.61 2.01 -1.26 -0.54 115.64 119.48 1u1z s THR 85 Ca 0.59 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1u1z s THR 85 Cb 0.47 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1u1z s THR 85 CO -0.00 0.32 0.00 -0.22 -0.69 0.00 0.00 174.62 174.03 1u1z s LEU 86 N -1.92 1.89 -0.69 4.42 2.96 0.69 -4.82 118.68 121.22 1u1z s LEU 86 Ca 0.28 0.00 -0.21 0.00 -0.22 0.00 0.00 54.13 53.99 1u1z s LEU 86 Cb -0.13 -0.01 0.09 0.00 0.50 0.00 0.00 46.19 46.64 1u1z s LEU 86 CO 0.18 -0.01 0.92 -0.31 -1.32 0.00 0.00 176.35 175.80 1u1z s TYR 87 N 0.12 2.86 0.27 5.38 1.51 -1.26 -0.95 117.35 125.28 1u1z s TYR 87 Ca -0.01 -0.84 -0.29 0.00 -1.01 0.00 0.00 57.07 54.92 1u1z s TYR 87 Cb -0.02 -4.21 -0.09 0.00 -0.11 0.00 0.00 41.96 37.53 1u1z s TYR 87 CO -0.00 -1.51 1.20 0.71 -1.11 0.00 0.00 175.55 174.84 1u1z s TYR 88 N 3.37 3.36 -0.60 2.71 1.51 -0.69 -4.74 117.35 122.27 1u1z s TYR 88 Ca 0.21 1.51 -0.28 0.00 -1.01 0.00 0.00 57.07 57.49 1u1z s TYR 88 Cb -0.17 -3.47 0.03 0.00 -0.11 0.00 0.00 41.96 38.24 1u1z s TYR 88 CO 0.05 -1.22 1.25 0.12 -1.11 0.00 0.00 175.55 174.64 1u1z s PHE 89 N -0.78 2.50 -1.78 2.71 5.36 -1.26 -0.63 117.98 124.09 1u1z s PHE 89 Ca 0.49 0.36 0.18 0.00 -0.96 0.00 0.00 56.93 57.00 1u1z s PHE 89 Cb -0.35 -4.51 0.03 0.00 -0.34 0.00 0.00 43.02 37.85 1u1z s PHE 89 CO 0.43 -1.73 0.95 1.33 -1.46 0.00 0.00 175.22 174.75 1u1z n VAL 90 N 6.67 0.00 0.00 3.12 0.24 0.24 -4.98 118.33 123.62 1u1z n VAL 90 Ca 0.08 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1u1z n VAL 90 Cb 0.49 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 1u1z n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u1z n GLY 91 N 1.17 0.39 3.43 7.63 0.00 -1.13 -5.01 105.19 111.67 1u1z n GLY 91 Ca 0.08 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 1u1z n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u1z s SER 92 N 0.00 -0.50 0.17 1.61 0.15 -1.26 -1.67 113.70 112.19 1u1z s SER 92 Ca 0.00 0.55 0.11 0.00 0.70 0.00 0.00 55.95 57.31 1u1z s SER 92 Cb 0.00 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1u1z s SER 92 CO 0.00 -0.53 -0.23 -1.81 1.20 0.00 0.00 173.24 171.87 1u1z s ASP 93 N -1.12 3.23 -0.59 5.45 1.01 -1.06 -4.86 116.67 118.72 1u1z s ASP 93 Ca -0.11 -0.83 -0.11 0.00 0.71 0.00 0.00 52.55 52.21 1u1z s ASP 93 Cb -0.02 -0.22 0.01 0.00 1.01 0.00 0.00 42.92 43.70 1u1z s ASP 93 CO 0.07 0.10 0.20 2.29 0.21 0.00 0.00 175.17 178.05 1u1z n LYS 94 N 0.45 -0.77 -2.80 8.23 2.85 -1.26 -3.09 118.16 121.76 1u1z n LYS 94 Ca -0.14 -0.17 -0.42 0.00 -1.05 0.00 0.00 58.31 56.53 1u1z n LYS 94 Cb 0.55 -0.90 -0.03 0.00 -0.65 0.00 0.00 35.03 34.00 1u1z n LYS 94 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1u1z s LEU 95 N -5.75 4.28 0.01 -5.58 2.96 -1.26 -4.44 118.68 108.89 1u1z s LEU 95 Ca 0.15 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 1u1z s LEU 95 Cb -0.08 -3.40 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 1u1z s LEU 95 CO 0.44 -0.33 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.99 1u1z s ARG 96 N 1.56 0.22 -0.16 1.98 3.00 -0.13 -5.02 118.95 120.41 1u1z s ARG 96 Ca 0.45 -0.22 -0.00 0.00 0.00 0.00 0.00 55.73 55.96 1u1z s ARG 96 Cb -0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 34.95 34.63 1u1z s ARG 96 CO 0.19 0.03 -0.14 -0.06 0.00 0.00 0.00 175.30 175.33 1u1z s PHE 97 N -0.38 2.81 -0.01 -0.53 0.40 -1.26 -1.13 117.98 117.87 1u1z s PHE 97 Ca -0.03 -1.03 -0.01 0.00 -0.60 0.00 0.00 56.93 55.27 1u1z s PHE 97 Cb -0.03 -1.91 -0.00 0.00 0.51 0.00 0.00 43.02 41.58 1u1z s PHE 97 CO -0.00 -0.48 -0.01 0.00 0.70 0.00 0.00 175.22 175.43 1u1z h ARG 98 N 7.39 0.00 -6.04 0.44 2.47 -1.44 -3.48 114.38 113.71 1u1z h ARG 98 Ca -0.34 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 57.84 1u1z h ARG 98 Cb 1.18 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.32 1u1z h ARG 98 CO 0.58 0.00 -0.79 1.14 0.56 0.00 0.00 179.97 181.46 1u1z s GLN 99 N -1.11 1.29 0.55 0.04 -2.07 -1.25 -5.05 119.66 112.07 1u1z s GLN 99 Ca -0.01 -1.39 -0.19 0.00 -1.82 0.00 0.00 55.36 51.95 1u1z s GLN 99 Cb 0.00 -1.40 -0.05 0.00 -1.09 0.00 0.00 33.01 30.47 1u1z s GLN 99 CO 0.02 0.29 1.11 -1.25 -1.32 0.00 0.00 175.29 174.13 1u1z s PRO 100 N -2.68 3.35 -0.13 9.60 0.04 -1.26 -4.80 135.00 139.12 1u1z s PRO 100 Ca 0.15 1.51 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 1u1z s PRO 100 Cb -0.06 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1u1z s PRO 100 CO 0.07 -0.83 0.28 0.08 0.04 0.00 0.00 177.00 176.64 1u1z s VAL 101 N -1.93 5.29 0.24 -0.36 1.01 -1.26 -5.09 120.40 118.30 1u1z s VAL 101 Ca 0.70 0.54 0.10 0.00 0.00 0.00 0.00 61.98 63.32 1u1z s VAL 101 Cb -0.22 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1u1z s VAL 101 CO 0.28 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.91 1u1z s LEU 102 N -0.02 2.57 0.26 3.92 1.43 -1.26 -4.61 118.68 120.97 1u1z s LEU 102 Ca 0.17 -1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 1u1z s LEU 102 Cb -0.13 -0.88 -0.13 0.00 0.03 0.00 0.00 46.19 45.08 1u1z s LEU 102 CO 0.05 -0.07 1.32 -2.65 0.23 0.00 0.00 176.35 175.23 1u1z n PRO 103 N -0.50 1.93 0.00 1.29 -0.02 -1.26 -0.87 135.00 135.57 1u1z n PRO 103 Ca -0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1u1z n PRO 103 Cb 0.60 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1u1z n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u1z n GLY 104 N 1.72 3.03 3.80 -1.23 0.00 -0.80 -4.98 105.19 106.73 1u1z n GLY 104 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1u1z n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1z s ASP 105 N -0.74 6.02 -0.37 1.61 -0.00 -0.05 -4.86 116.67 118.27 1u1z s ASP 105 Ca 0.00 1.89 -0.06 0.00 -0.00 0.00 0.00 52.55 54.38 1u1z s ASP 105 Cb 0.00 -2.55 0.06 0.00 -0.00 0.00 0.00 42.92 40.44 1u1z s ASP 105 CO 0.00 -1.01 0.15 -1.58 -0.00 0.00 0.00 175.17 172.73 1u1z s GLN 106 N -3.66 2.48 -0.47 8.23 0.74 -1.26 -1.49 119.66 124.23 1u1z s GLN 106 Ca 0.66 -1.38 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 1u1z s GLN 106 Cb -0.17 -3.53 0.02 0.00 1.10 0.00 0.00 33.01 30.43 1u1z s GLN 106 CO 0.29 -0.81 1.28 -1.17 -0.55 0.00 0.00 175.29 174.33 1u1z s LEU 107 N 1.34 3.57 0.01 3.68 2.96 0.44 -4.46 118.68 126.22 1u1z s LEU 107 Ca 0.01 0.55 -0.26 0.00 -0.22 0.00 0.00 54.13 54.21 1u1z s LEU 107 Cb -0.21 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 1u1z s LEU 107 CO 0.01 -1.40 0.81 -1.10 -1.32 0.00 0.00 176.35 173.34 1u1z s GLN 108 N 4.82 4.51 -0.11 1.98 -0.21 0.38 -1.07 119.66 129.97 1u1z s GLN 108 Ca 0.53 1.12 0.03 0.00 0.02 0.00 0.00 55.36 57.07 1u1z s GLN 108 Cb -0.10 -3.40 -0.00 0.00 1.00 0.00 0.00 33.01 30.50 1u1z s GLN 108 CO 0.31 0.16 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.91 1u1z s LEU 109 N 0.37 2.23 -0.03 2.90 1.43 0.88 -1.35 118.68 125.11 1u1z s LEU 109 Ca 0.42 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1u1z s LEU 109 Cb -0.20 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 1u1z s LEU 109 CO 0.23 0.16 -0.16 -1.00 0.23 0.00 0.00 176.35 175.81 1u1z s HIS 110 N 0.34 1.58 -0.02 0.29 3.76 0.13 -1.41 115.29 119.97 1u1z s HIS 110 Ca -0.17 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 1u1z s HIS 110 Cb -0.18 -1.05 0.02 0.00 1.11 0.00 0.00 32.58 32.49 1u1z s HIS 110 CO 0.08 -0.11 0.02 0.00 -0.85 0.00 0.00 174.74 173.88 1u1z s ALA 111 N -0.10 0.13 -0.06 -1.40 0.00 -1.04 -1.16 121.76 118.13 1u1z s ALA 111 Ca -0.00 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1u1z s ALA 111 Cb -0.10 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1u1z s ALA 111 CO 0.01 -0.08 -0.12 0.21 0.00 0.00 0.00 175.76 175.78 1u1z s LYS 112 N 0.89 1.59 0.13 0.00 2.20 0.11 -1.54 119.74 123.13 1u1z s LYS 112 Ca -0.08 -0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 54.79 1u1z s LYS 112 Cb -0.11 -1.35 -0.10 0.00 -1.51 0.00 0.00 37.83 34.76 1u1z s LYS 112 CO -0.02 0.07 1.72 0.12 -0.36 0.00 0.00 175.35 176.88 1u1z s PHE 113 N 0.50 2.53 -0.17 4.03 5.36 -0.46 0.99 117.98 130.76 1u1z s PHE 113 Ca -0.11 0.25 -0.13 0.00 -0.96 0.00 0.00 56.93 55.98 1u1z s PHE 113 Cb -0.14 -4.07 -0.07 0.00 -0.34 0.00 0.00 43.02 38.40 1u1z s PHE 113 CO 0.03 -4.24 -0.29 -0.89 -1.46 0.00 0.00 175.22 168.37 1u1z n ILE 114 N 4.45 1.35 -3.81 3.12 5.41 -0.29 -4.83 119.36 124.76 1u1z n ILE 114 Ca 0.16 -0.04 -0.04 0.00 1.00 0.00 0.00 62.75 63.83 1u1z n ILE 114 Cb 0.38 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 1u1z n ILE 114 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1u1z s SER 115 N -6.44 -0.09 -0.15 4.38 1.04 -1.08 -5.02 113.70 106.32 1u1z s SER 115 Ca -0.27 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.48 1u1z s SER 115 Cb 0.07 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1u1z s SER 115 CO 0.37 -1.00 0.39 0.54 0.98 0.00 0.00 173.24 174.53 1u1z s VAL 116 N -2.79 -0.01 -0.38 5.02 0.11 -1.26 -1.22 120.40 119.87 1u1z s VAL 116 Ca 0.16 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1u1z s VAL 116 Cb -0.02 -0.56 0.12 0.00 -1.53 0.00 0.00 36.38 34.38 1u1z s VAL 116 CO 0.04 0.02 0.16 -0.75 -3.33 0.00 0.00 175.10 171.24 1u1z s LYS 117 N 0.72 1.06 6.80 1.54 2.20 -0.66 -5.01 119.74 126.39 1u1z s LYS 117 Ca -0.04 -1.60 0.00 0.00 -0.36 0.00 0.00 55.97 53.97 1u1z s LYS 117 Cb -0.05 -2.26 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1u1z s LYS 117 CO -0.05 -1.07 0.00 0.54 -0.36 0.00 0.00 175.35 174.41 1u1z n ARG 118 N 4.16 0.00 -0.09 4.03 1.74 -1.26 -2.19 116.66 123.05 1u1z n ARG 118 Ca 0.04 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 1u1z n ARG 118 Cb 0.38 0.00 0.31 0.00 -1.02 0.00 0.00 32.46 32.13 1u1z n ARG 118 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1u1z n SER 119 N 10.53 2.39 -4.41 0.55 3.41 -1.26 -4.82 113.62 120.00 1u1z n SER 119 Ca 0.00 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.39 1u1z n SER 119 Cb 0.00 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 1u1z n SER 119 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1u1z s ILE 120 N -1.75 4.79 -0.02 -1.33 -1.09 -0.93 -0.65 121.20 120.20 1u1z s ILE 120 Ca 0.34 -0.73 -0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1u1z s ILE 120 Cb 0.20 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1u1z s ILE 120 CO 0.29 -0.21 0.10 0.26 -1.23 0.00 0.00 174.94 174.16 1u1z s TRP 121 N 1.60 3.36 -0.12 3.97 0.52 0.19 -1.65 118.94 126.82 1u1z s TRP 121 Ca 0.03 0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.44 1u1z s TRP 121 Cb -0.19 -1.78 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 1u1z s TRP 121 CO 0.08 0.58 -0.17 0.15 0.02 0.00 0.00 176.95 177.61 1u1z s LYS 122 N -1.64 2.41 0.16 4.98 1.02 -0.36 -0.31 119.74 126.01 1u1z s LYS 122 Ca 0.22 -0.63 0.11 0.00 0.02 0.00 0.00 55.97 55.69 1u1z s LYS 122 Cb -0.12 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1u1z s LYS 122 CO 0.13 -0.08 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.17 1u1z s PHE 123 N 1.04 2.34 -0.34 3.18 0.40 0.43 -1.14 117.98 123.89 1u1z s PHE 123 Ca -0.04 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.81 1u1z s PHE 123 Cb -0.15 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.17 1u1z s PHE 123 CO -0.03 0.43 0.23 0.34 0.70 0.00 0.00 175.22 176.88 1u1z s ASP 124 N -2.39 5.95 0.16 1.36 2.15 0.28 -0.94 116.67 123.23 1u1z s ASP 124 Ca 0.18 -0.53 0.11 0.00 0.43 0.00 0.00 52.55 52.73 1u1z s ASP 124 Cb -0.09 -2.11 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 1u1z s ASP 124 CO 0.09 -0.26 -0.22 0.00 -0.17 0.00 0.00 175.17 174.60 1u1z s HIS 126 N -1.40 -0.12 -0.00 0.00 3.76 -0.31 -1.30 115.29 115.92 1u1z s HIS 126 Ca 0.19 0.03 0.01 0.00 -0.15 0.00 0.00 55.06 55.13 1u1z s HIS 126 Cb -0.09 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.70 1u1z s HIS 126 CO 0.09 -0.48 -0.02 0.00 -0.85 0.00 0.00 174.74 173.48 1u1z s ALA 127 N -2.31 0.19 0.02 -1.40 0.00 0.03 -0.69 121.76 117.60 1u1z s ALA 127 Ca -0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 1u1z s ALA 127 Cb -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 1u1z s ALA 127 CO -0.02 0.04 0.13 0.95 0.00 0.00 0.00 175.76 176.86 1u1z s THR 128 N 0.01 0.10 -0.16 0.00 -4.23 -0.46 -1.07 115.64 109.84 1u1z s THR 128 Ca 0.00 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1u1z s THR 128 Cb -0.02 -0.63 0.02 0.00 1.34 0.00 0.00 72.50 73.21 1u1z s THR 128 CO -0.00 -0.46 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.72 1u1z s VAL 129 N -1.91 2.00 -1.41 2.29 1.01 -0.46 -0.47 120.40 121.44 1u1z s VAL 129 Ca -0.11 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1u1z s VAL 129 Cb -0.05 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1u1z s VAL 129 CO -0.01 0.53 0.97 0.47 0.00 0.00 0.00 175.10 177.07 1u1z n ASP 130 N 4.44 -4.16 -1.51 3.32 8.00 -1.26 -1.21 116.55 124.17 1u1z n ASP 130 Ca -0.20 -0.72 -0.19 0.00 0.71 0.00 0.00 54.79 54.39 1u1z n ASP 130 Cb 0.51 -4.31 -0.08 0.00 -0.02 0.00 0.00 41.12 37.21 1u1z n ASP 130 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1u1z n ASP 131 N -2.95 -5.45 -4.70 -2.24 8.00 -1.26 -4.98 116.55 102.97 1u1z n ASP 131 Ca -0.07 0.48 -0.35 0.00 0.71 0.00 0.00 54.79 55.56 1u1z n ASP 131 Cb 0.58 -4.72 -0.09 0.00 -0.02 0.00 0.00 41.12 36.87 1u1z n ASP 131 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1u1z s LYS 132 N -3.64 3.29 0.27 -1.24 1.02 -0.35 -5.05 119.74 114.04 1u1z s LYS 132 Ca 0.00 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 1u1z s LYS 132 Cb 0.00 -2.95 -0.11 0.00 -0.52 0.00 0.00 37.83 34.25 1u1z s LYS 132 CO 0.00 0.61 1.60 -1.25 -0.92 0.00 0.00 175.35 175.39 1u1z s PRO 133 N -0.60 4.13 0.00 -1.68 0.04 -1.26 -1.35 135.00 134.28 1u1z s PRO 133 Ca 0.11 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1u1z s PRO 133 Cb -0.12 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1u1z s PRO 133 CO 0.02 -0.64 0.00 0.28 0.04 0.00 0.00 177.00 176.70 1u1z n VAL 134 N 2.54 0.00 -3.55 -0.36 0.31 -0.23 -4.31 118.33 112.73 1u1z n VAL 134 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.30 1u1z n VAL 134 Cb 0.37 -0.72 -0.05 0.00 -0.91 0.00 0.00 33.84 32.53 1u1z n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u1z s SER 136 N -1.28 -0.37 -0.11 0.00 1.04 -0.28 -0.79 113.70 111.91 1u1z s SER 136 Ca -0.04 0.29 -0.33 0.00 0.48 0.00 0.00 55.95 56.36 1u1z s SER 136 Cb -0.00 0.41 0.13 0.00 0.10 0.00 0.00 66.02 66.66 1u1z s SER 136 CO 0.03 -0.54 1.27 0.00 0.98 0.00 0.00 173.24 174.98 1u1z s ALA 137 N -1.45 -2.18 -0.34 5.32 0.00 -0.42 -0.95 121.76 121.75 1u1z s ALA 137 Ca -0.11 1.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 1u1z s ALA 137 Cb -0.03 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1u1z s ALA 137 CO 0.05 -0.83 0.14 -1.21 0.00 0.00 0.00 175.76 173.91 1u1z s GLU 138 N -2.39 2.87 0.03 0.00 2.02 -1.18 0.16 118.70 120.23 1u1z s GLU 138 Ca 0.12 -1.02 -0.19 0.00 0.02 0.00 0.00 54.97 53.90 1u1z s GLU 138 Cb 0.02 -3.54 -0.06 0.00 0.10 0.00 0.00 34.13 30.66 1u1z s GLU 138 CO -0.04 -0.60 0.56 0.42 0.02 0.00 0.00 175.26 175.62 1u1z s ILE 139 N 1.50 4.84 -0.19 -1.63 -1.09 -0.12 -2.57 121.20 121.94 1u1z s ILE 139 Ca 0.01 1.17 0.01 0.00 -2.23 0.00 0.00 60.65 59.61 1u1z s ILE 139 Cb -0.19 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1u1z s ILE 139 CO 0.04 0.50 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.46 1u1z s ILE 140 N -0.74 2.23 0.17 2.92 1.01 -0.67 -0.43 121.20 125.68 1u1z s ILE 140 Ca 0.29 -0.96 0.11 0.00 0.00 0.00 0.00 60.65 60.09 1u1z s ILE 140 Cb -0.19 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1u1z s ILE 140 CO 0.17 0.47 -0.23 0.00 0.00 0.00 0.00 174.94 175.35 1u1z s ALA 142 N -1.61 2.69 -0.20 0.00 0.00 0.20 0.57 121.76 123.40 1u1z s ALA 142 Ca 0.18 -1.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.00 1u1z s ALA 142 Cb -0.08 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1u1z s ALA 142 CO 0.08 -1.27 1.79 -2.00 0.00 0.00 0.00 175.76 174.36 1u1z s GLU 143 N 1.13 3.65 0.14 0.00 2.12 0.17 -1.70 118.70 124.21 1u1z s GLU 143 Ca -0.06 1.81 -0.02 0.00 0.36 0.00 0.00 54.97 57.07 1u1z s GLU 143 Cb -0.20 -4.14 -0.04 0.00 0.26 0.00 0.00 34.13 30.02 1u1z s GLU 143 CO -0.04 -1.48 0.08 1.03 -0.54 0.00 0.00 175.26 174.31 1u1z s ARG 144 N 5.09 0.95 0.10 4.30 1.81 -0.12 -4.90 118.95 126.18 1u1z s ARG 144 Ca 0.80 -1.43 -0.30 0.00 -1.72 0.00 0.00 55.73 53.08 1u1z s ARG 144 Cb -0.28 0.25 -0.06 0.00 -0.45 0.00 0.00 34.95 34.41 1u1z s ARG 144 CO 0.33 -0.28 1.17 0.21 -0.68 0.00 0.00 175.30 176.05 1u1z s LYS 145 N -4.05 4.48 0.00 3.54 2.20 -1.26 -0.22 119.74 124.43 1u1z s LYS 145 Ca 0.24 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 1u1z s LYS 145 Cb 0.07 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1u1z s LYS 145 CO 0.02 -0.16 0.49 -0.11 -0.36 0.00 0.00 175.35 175.24