#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 1.22 -0.57 2.12 6.09 -1.93 -2.12 117.51 122.33 1u1z h ILE 4 Ca 0.00 -0.82 -0.06 0.00 -1.37 0.00 0.00 64.86 62.61 1u1z h ILE 4 Cb 0.00 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 37.96 1u1z h ILE 4 CO 0.00 0.30 0.09 0.78 -3.07 0.00 0.00 178.15 176.26 1u1z h ASN 5 N 0.77 0.85 -0.09 2.19 2.35 -1.98 -0.15 115.58 119.53 1u1z h ASN 5 Ca 0.17 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1u1z h ASN 5 Cb 0.30 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1u1z h ASN 5 CO -0.00 0.86 -0.14 -0.33 -1.65 0.00 0.00 177.43 176.18 1u1z h GLU 6 N 0.86 0.25 -0.90 0.81 5.08 -1.97 -2.68 114.58 116.02 1u1z h GLU 6 Ca 0.18 -0.15 0.21 0.00 -1.00 0.00 0.00 59.36 58.60 1u1z h GLU 6 Cb 0.37 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.52 1u1z h GLU 6 CO 0.01 0.72 0.42 0.82 -1.00 0.00 0.00 179.01 179.97 1u1z h ILE 7 N -0.20 0.53 0.00 3.13 2.04 -1.14 0.58 117.51 122.45 1u1z h ILE 7 Ca 0.01 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1u1z h ILE 7 Cb 0.70 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1u1z h ILE 7 CO 0.03 0.08 0.00 0.54 0.00 0.00 0.00 178.15 178.80 1u1z n ARG 8 N -5.00 0.24 0.10 2.37 1.74 -0.09 -1.48 116.66 114.53 1u1z n ARG 8 Ca 0.21 0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 1u1z n ARG 8 Cb 0.62 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.72 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 0.00 5.56 5.08 0.48 -3.36 114.58 122.34 1u1z h GLU 9 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1u1z h GLU 9 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1u1z h GLU 9 CO 0.00 0.00 -1.90 0.66 -1.00 0.00 0.00 179.01 176.77 1u1z n TYR 10 N -2.40 0.00 -4.81 4.33 4.01 -0.70 -4.62 117.16 112.98 1u1z n TYR 10 Ca 0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.44 1u1z n TYR 10 Cb 0.48 -0.62 -0.13 0.00 -0.31 0.00 0.00 39.34 38.76 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 -4.81 2.78 0.09 7.72 1.43 -0.55 -4.89 118.68 120.46 1u1z s LEU 11 Ca -0.07 -0.23 0.26 0.00 -1.03 0.00 0.00 54.13 53.07 1u1z s LEU 11 Cb 0.05 -1.59 0.79 0.00 0.03 0.00 0.00 46.19 45.47 1u1z s LEU 11 CO 0.59 0.27 1.67 -0.81 0.23 0.00 0.00 176.35 178.30 1u1z n PRO 12 N 2.79 0.15 -1.57 1.29 -0.04 -1.26 -4.62 135.00 131.74 1u1z n PRO 12 Ca -0.18 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 1u1z n PRO 12 Cb 0.52 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.87 0.90 -4.30 0.54 8.25 -1.26 -5.01 115.22 112.47 1u1z n HIS 13 Ca 0.05 0.67 -0.19 0.00 -0.26 0.00 0.00 57.72 57.99 1u1z n HIS 13 Cb 0.39 -2.19 -0.09 0.00 1.12 0.00 0.00 29.99 29.22 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 -1.65 1.67 0.43 -0.41 1.81 -1.26 -4.74 118.95 114.80 1u1z s ARG 14 Ca 0.61 -1.96 -0.25 0.00 -1.72 0.00 0.00 55.73 52.40 1u1z s ARG 14 Cb -0.66 0.18 -0.09 0.00 -0.45 0.00 0.00 34.95 33.93 1u1z s ARG 14 CO 0.59 -0.57 1.30 0.98 -0.68 0.00 0.00 175.30 176.91 1u1z n TYR 15 N -0.59 2.22 -1.51 -0.53 4.19 -1.26 0.12 117.16 119.80 1u1z n TYR 15 Ca 0.05 0.49 -0.36 0.00 3.31 0.00 0.00 57.90 61.39 1u1z n TYR 15 Cb 0.63 -2.39 0.06 0.00 0.49 0.00 0.00 39.34 38.14 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 -0.01 2.68 -1.13 2.98 -0.04 -1.26 -4.91 135.00 133.31 1u1z n PRO 16 Ca 0.06 -3.29 0.05 0.00 -0.04 0.00 0.00 63.50 60.28 1u1z n PRO 16 Cb 0.40 -2.26 0.08 0.00 -0.04 0.00 0.00 33.50 31.68 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 -0.73 0.00 -3.55 0.54 3.01 0.32 -4.98 117.46 112.07 1u1z n PHE 17 Ca 0.59 -0.77 -0.41 0.00 1.01 0.00 0.00 57.45 57.86 1u1z n PHE 17 Cb 0.52 -0.17 -0.10 0.00 -0.01 0.00 0.00 39.48 39.71 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 -1.03 5.01 -0.42 4.37 2.96 -1.13 -4.49 118.68 123.95 1u1z s LEU 18 Ca 0.33 -1.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.12 1u1z s LEU 18 Cb 0.35 -2.05 0.51 0.00 0.50 0.00 0.00 46.19 45.50 1u1z s LEU 18 CO -0.12 -0.47 1.64 0.18 -1.32 0.00 0.00 176.35 176.26 1u1z n LEU 19 N 5.03 5.72 -3.72 -0.68 4.77 -1.26 -4.87 117.00 121.99 1u1z n LEU 19 Ca -0.11 -4.09 -0.25 0.00 -0.03 0.00 0.00 56.01 51.52 1u1z n LEU 19 Cb 0.45 -0.71 -0.17 0.00 -2.33 0.00 0.00 43.42 40.66 1u1z n LEU 19 CO 0.39 1.46 -0.36 -0.69 -1.33 0.00 0.00 177.39 176.86 1u1z s VAL 20 N -3.96 0.30 -0.15 4.08 1.01 -1.26 -4.68 120.40 115.73 1u1z s VAL 20 Ca 0.54 -0.18 0.20 0.00 0.00 0.00 0.00 61.98 62.54 1u1z s VAL 20 Cb 0.45 -0.70 -0.13 0.00 0.00 0.00 0.00 36.38 36.00 1u1z s VAL 20 CO 0.02 -0.04 0.79 0.47 0.00 0.00 0.00 175.10 176.34 1u1z n ASP 21 N 5.15 0.65 -3.57 3.32 8.00 -0.40 -4.96 116.55 124.74 1u1z n ASP 21 Ca -0.07 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.56 1u1z n ASP 21 Cb 0.49 0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 42.18 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 -3.16 0.74 -0.28 -1.24 3.52 -0.94 -4.28 118.95 113.32 1u1z s ARG 22 Ca -0.03 0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 55.87 1u1z s ARG 22 Cb 0.10 0.35 0.04 0.00 -1.56 0.00 0.00 34.95 33.88 1u1z s ARG 22 CO 0.82 -0.20 -0.03 0.08 -0.81 0.00 0.00 175.30 175.16 1u1z s VAL 23 N -0.81 2.98 -0.02 7.11 1.01 -1.26 -0.39 120.40 129.01 1u1z s VAL 23 Ca -0.04 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 1u1z s VAL 23 Cb -0.01 -2.61 -0.28 0.00 0.00 0.00 0.00 36.38 33.48 1u1z s VAL 23 CO 0.03 0.05 0.77 -0.37 0.00 0.00 0.00 175.10 175.57 1u1z h VAL 24 N 6.29 1.05 -3.41 2.92 -1.51 -1.25 -3.46 116.25 116.88 1u1z h VAL 24 Ca -0.27 -2.70 -0.24 0.00 -1.23 0.00 0.00 66.70 62.26 1u1z h VAL 24 Cb 1.09 2.71 -0.30 0.00 -2.13 0.00 0.00 31.29 32.65 1u1z h VAL 24 CO 0.55 0.81 -0.63 -0.70 -1.23 0.00 0.00 177.57 176.37 1u1z s GLU 25 N -2.60 0.08 -0.55 5.19 2.12 -0.64 -5.01 118.70 117.28 1u1z s GLU 25 Ca -0.11 0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.50 1u1z s GLU 25 Cb 0.07 -0.09 0.14 0.00 0.26 0.00 0.00 34.13 34.50 1u1z s GLU 25 CO 0.84 -0.10 0.31 -1.17 -0.54 0.00 0.00 175.26 174.60 1u1z s LEU 26 N 0.69 4.44 -0.93 2.70 2.96 -1.26 -0.70 118.68 126.57 1u1z s LEU 26 Ca -0.05 -3.13 -0.22 0.00 -0.22 0.00 0.00 54.13 50.50 1u1z s LEU 26 Cb -0.07 -1.65 -0.13 0.00 0.50 0.00 0.00 46.19 44.84 1u1z s LEU 26 CO -0.03 -0.22 1.92 -0.67 -1.32 0.00 0.00 176.35 176.04 1u1z n ASP 27 N 2.96 2.76 -0.31 3.68 -0.08 -0.65 -4.78 116.55 120.13 1u1z n ASP 27 Ca 0.07 -2.69 0.15 0.00 -1.51 0.00 0.00 54.79 50.82 1u1z n ASP 27 Cb 0.33 -1.35 0.30 0.00 2.34 0.00 0.00 41.12 42.73 1u1z n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u1z n ILE 28 N 6.69 -0.38 -0.03 5.18 0.13 -1.26 -1.41 119.36 128.28 1u1z n ILE 28 Ca 0.48 1.98 -0.21 0.00 -1.10 0.00 0.00 62.75 63.90 1u1z n ILE 28 Cb 0.43 -2.93 -0.13 0.00 -0.84 0.00 0.00 39.64 36.16 1u1z n ILE 28 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 1u1z n GLU 29 N -5.30 0.71 0.00 9.51 0.28 -1.26 -3.95 120.64 120.62 1u1z n GLU 29 Ca 0.23 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.54 1u1z n GLU 29 Cb 0.76 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1u1z n GLU 29 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1u1z n GLY 30 N 1.90 -0.35 3.67 -1.84 0.00 -0.85 -4.80 105.19 102.92 1u1z n GLY 30 Ca -0.34 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.35 -5.10 -3.80 1.61 4.76 -0.50 -4.75 118.16 109.03 1u1z n LYS 31 Ca 0.00 0.64 -0.10 0.00 -2.87 0.00 0.00 58.31 55.99 1u1z n LYS 31 Cb 0.01 -5.25 -0.07 0.00 -1.84 0.00 0.00 35.03 27.87 1u1z n LYS 31 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1u1z s ARG 32 N -5.92 0.85 0.01 1.97 1.70 -1.17 0.72 118.95 117.11 1u1z s ARG 32 Ca 0.01 -0.77 0.02 0.00 -0.47 0.00 0.00 55.73 54.51 1u1z s ARG 32 Cb -0.00 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1u1z s ARG 32 CO 0.80 -0.28 -0.05 -1.50 -1.08 0.00 0.00 175.30 173.19 1u1z s ILE 33 N -3.36 0.39 -0.16 4.99 2.07 0.26 -1.64 121.20 123.74 1u1z s ILE 33 Ca 0.01 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 1u1z s ILE 33 Cb 0.02 -0.36 0.02 0.00 0.13 0.00 0.00 42.46 42.27 1u1z s ILE 33 CO -0.08 0.00 -0.20 -0.13 -1.91 0.00 0.00 174.94 172.62 1u1z s ARG 34 N -0.40 2.93 0.16 3.50 0.52 0.12 -2.04 118.95 123.75 1u1z s ARG 34 Ca -0.01 -0.81 -0.07 0.00 -0.52 0.00 0.00 55.73 54.32 1u1z s ARG 34 Cb -0.03 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 1u1z s ARG 34 CO -0.00 -0.15 0.24 0.00 0.02 0.00 0.00 175.30 175.41 1u1z s ALA 35 N 1.15 0.22 0.21 2.13 0.00 -0.10 -0.66 121.76 124.70 1u1z s ALA 35 Ca 0.01 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1u1z s ALA 35 Cb -0.14 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1u1z s ALA 35 CO -0.09 -0.63 0.03 1.52 0.00 0.00 0.00 175.76 176.59 1u1z s TYR 36 N -4.00 1.36 -0.12 0.00 1.13 0.47 0.18 117.35 116.38 1u1z s TYR 36 Ca 0.20 -1.05 -0.01 0.00 -1.41 0.00 0.00 57.07 54.79 1u1z s TYR 36 Cb 0.04 -0.79 0.04 0.00 -1.10 0.00 0.00 41.96 40.15 1u1z s TYR 36 CO 0.02 -0.22 -0.01 0.21 -2.51 0.00 0.00 175.55 173.03 1u1z s LYS 37 N -3.94 0.85 0.14 -3.49 2.36 -0.20 -1.27 119.74 114.20 1u1z s LYS 37 Ca 0.29 -0.15 -0.30 0.00 -2.55 0.00 0.00 55.97 53.26 1u1z s LYS 37 Cb 0.06 -1.46 -0.07 0.00 -1.05 0.00 0.00 37.83 35.31 1u1z s LYS 37 CO 0.08 -0.39 1.20 -0.80 1.55 0.00 0.00 175.35 176.98 1u1z s ASN 38 N 1.87 7.09 -0.24 1.43 0.01 -1.26 -1.78 114.94 122.05 1u1z s ASN 38 Ca 0.03 2.15 -0.07 0.00 -0.71 0.00 0.00 52.86 54.26 1u1z s ASN 38 Cb -0.14 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 38.89 1u1z s ASN 38 CO -0.07 -0.40 0.07 -0.69 -1.51 0.00 0.00 177.10 174.50 1u1z s VAL 39 N 0.35 4.40 0.12 1.60 1.01 -0.49 -4.95 120.40 122.45 1u1z s VAL 39 Ca 0.55 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.45 1u1z s VAL 39 Cb -0.31 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1u1z s VAL 39 CO 0.34 0.36 -0.15 -0.55 0.00 0.00 0.00 175.10 175.10 1u1z s SER 40 N 1.40 2.02 0.46 3.32 0.15 -1.26 -1.42 113.70 118.37 1u1z s SER 40 Ca 0.05 -0.78 0.24 0.00 0.70 0.00 0.00 55.95 56.16 1u1z s SER 40 Cb -0.15 -0.07 1.07 0.00 -1.71 0.00 0.00 66.02 65.16 1u1z s SER 40 CO 0.04 -0.12 1.91 -0.29 1.20 0.00 0.00 173.24 175.98 1u1z h ILE 41 N 3.64 0.67 -0.02 6.45 6.09 -1.96 -3.16 117.51 129.22 1u1z h ILE 41 Ca -0.40 -0.97 -0.05 0.00 -1.37 0.00 0.00 64.86 62.07 1u1z h ILE 41 Cb 1.19 1.62 -0.02 0.00 0.47 0.00 0.00 36.82 40.09 1u1z h ILE 41 CO 0.48 0.22 -0.07 -3.20 -3.07 0.00 0.00 178.15 172.51 1u1z n ASN 42 N -3.57 5.36 -4.53 2.19 5.15 -1.26 -4.82 115.26 113.78 1u1z n ASN 42 Ca -0.01 -2.44 -0.29 0.00 -0.60 0.00 0.00 54.58 51.24 1u1z n ASN 42 Cb 0.37 -1.19 -0.10 0.00 -0.53 0.00 0.00 39.78 38.32 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 0.15 1.95 0.55 1.20 2.02 -1.20 -5.06 118.70 118.32 1u1z s GLU 43 Ca 0.15 -1.12 0.28 0.00 0.02 0.00 0.00 54.97 54.29 1u1z s GLU 43 Cb 0.07 -2.20 1.58 0.00 0.10 0.00 0.00 34.13 33.68 1u1z s GLU 43 CO -0.00 0.49 2.14 -1.00 0.02 0.00 0.00 175.26 176.90 1u1z h PRO 44 N 3.60 0.00 0.00 0.39 0.13 -1.93 -3.22 132.00 130.97 1u1z h PRO 44 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1u1z h PRO 44 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1u1z h PRO 44 CO 0.49 0.08 -0.60 0.27 -0.23 0.00 0.00 178.00 178.01 1u1z h PHE 45 N 0.00 0.00 -0.70 1.56 -5.15 -1.97 -3.36 116.94 107.32 1u1z h PHE 45 Ca -0.00 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.84 1u1z h PHE 45 Cb 0.21 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.32 1u1z h PHE 45 CO 0.00 0.31 0.38 0.74 -2.00 0.00 0.00 178.31 177.74 1u1z h PHE 46 N 0.00 0.69 -0.63 6.09 0.05 -1.84 -1.90 116.94 119.40 1u1z h PHE 46 Ca -0.03 0.03 0.15 0.00 3.82 0.00 0.00 57.97 61.93 1u1z h PHE 46 Cb 1.26 -0.21 -0.03 0.00 2.00 0.00 0.00 35.95 38.97 1u1z h PHE 46 CO 0.00 0.30 0.44 -0.91 -0.18 0.00 0.00 178.31 177.96 1u1z h ASN 47 N 0.68 0.19 -0.21 2.17 4.21 -1.79 -0.62 115.58 120.21 1u1z h ASN 47 Ca 0.33 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.85 1u1z h ASN 47 Cb 0.26 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 1u1z h ASN 47 CO -0.22 0.10 0.00 0.61 -1.29 0.00 0.00 177.43 176.64 1u1z n GLY 48 N -1.58 1.30 2.48 2.83 0.00 -0.77 -3.50 105.19 105.96 1u1z n GLY 48 Ca 0.12 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 1.36 -1.90 -4.28 1.61 -0.00 -0.24 -4.67 115.22 107.10 1u1z n HIS 49 Ca 0.16 -2.64 -0.15 0.00 -0.00 0.00 0.00 57.72 55.09 1u1z n HIS 49 Cb 0.58 0.62 -0.10 0.00 -0.00 0.00 0.00 29.99 31.09 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 -0.12 1.38 0.19 1.57 0.40 -0.48 -2.12 117.98 118.80 1u1z s PHE 50 Ca 0.33 -0.96 -0.33 0.00 -0.60 0.00 0.00 56.93 55.37 1u1z s PHE 50 Cb 0.15 -0.79 -0.13 0.00 0.51 0.00 0.00 43.02 42.77 1u1z s PHE 50 CO -0.16 -0.12 1.66 -2.30 0.70 0.00 0.00 175.22 175.00 1u1z n PRO 51 N -0.32 2.51 0.00 0.24 -0.02 -1.23 -1.24 135.00 134.94 1u1z n PRO 51 Ca -0.06 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1u1z n PRO 51 Cb 0.63 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.76 0.00 -3.23 -0.52 4.71 -1.26 -4.87 120.64 119.23 1u1z n GLU 52 Ca 0.16 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 57.10 1u1z n GLU 52 Cb 0.32 -1.68 -0.07 0.00 -1.01 0.00 0.00 31.44 29.00 1u1z n GLU 52 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1u1z n HIS 53 N -1.97 -1.67 -2.07 -0.32 8.25 -0.37 -5.12 115.22 111.95 1u1z n HIS 53 Ca 0.00 -2.81 -0.42 0.00 -0.26 0.00 0.00 57.72 54.22 1u1z n HIS 53 Cb 0.00 0.57 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 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 0.25 4.25 0.00 -0.41 0.04 -1.23 -1.38 135.00 136.52 1u1z s PRO 54 Ca 0.32 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1u1z s PRO 54 Cb 0.03 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1u1z s PRO 54 CO -0.16 -0.62 0.00 -0.89 0.04 0.00 0.00 177.00 175.36 1u1z n ILE 55 N 4.54 0.00 -4.21 0.56 5.41 -0.90 -4.61 119.36 120.14 1u1z n ILE 55 Ca 0.14 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.58 1u1z n ILE 55 Cb 0.42 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.26 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 4.05 2.63 0.06 0.38 0.02 -1.26 -4.62 135.00 136.26 1u1z s PRO 57 Ca 0.00 -0.75 -0.16 0.00 0.02 0.00 0.00 61.00 60.11 1u1z s PRO 57 Cb 0.00 -2.58 -0.18 0.00 0.02 0.00 0.00 34.50 31.76 1u1z s PRO 57 CO 0.00 0.58 1.24 0.78 -0.33 0.00 0.00 177.00 179.27 1u1z h GLY 58 N 3.85 0.68 1.20 0.52 0.00 -1.99 -2.93 103.07 104.40 1u1z h GLY 58 Ca -0.48 -0.98 0.10 0.00 0.00 0.00 0.00 47.33 45.97 1u1z h GLY 58 CO 0.58 0.87 0.31 -0.39 0.00 0.00 0.00 176.54 177.92 1u1z h VAL 59 N 0.25 0.86 0.00 4.60 -1.51 -2.02 0.53 116.25 118.96 1u1z h VAL 59 Ca -0.05 -0.06 -0.11 0.00 -1.23 0.00 0.00 66.70 65.25 1u1z h VAL 59 Cb 1.27 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1u1z h VAL 59 CO 0.13 0.03 -0.52 -0.07 -1.23 0.00 0.00 177.57 175.91 1u1z h LEU 60 N 0.17 0.00 -0.53 4.19 4.07 -1.96 -0.34 115.31 120.91 1u1z h LEU 60 Ca 0.21 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.01 1u1z h LEU 60 Cb 0.61 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1u1z h LEU 60 CO -0.03 0.52 -0.61 0.40 -1.08 0.00 0.00 178.44 177.64 1u1z h ILE 61 N 0.00 1.35 0.60 1.22 2.04 0.16 -0.91 117.51 121.97 1u1z h ILE 61 Ca -0.01 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 63.89 1u1z h ILE 61 Cb 1.03 1.93 0.01 0.00 -0.74 0.00 0.00 36.82 39.05 1u1z h ILE 61 CO 0.07 0.59 -0.29 0.40 0.00 0.00 0.00 178.15 178.92 1u1z h ILE 62 N 0.31 0.35 -0.94 -0.67 2.04 -0.53 -2.79 117.51 115.28 1u1z h ILE 62 Ca -0.01 -0.20 0.22 0.00 1.00 0.00 0.00 64.86 65.87 1u1z h ILE 62 Cb 1.15 0.43 -0.12 0.00 -0.74 0.00 0.00 36.82 37.54 1u1z h ILE 62 CO 0.11 0.03 0.50 -0.08 0.00 0.00 0.00 178.15 178.70 1u1z h GLU 63 N -0.94 0.52 0.00 2.37 4.57 -1.00 -1.73 114.58 118.37 1u1z h GLU 63 Ca -0.08 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1u1z h GLU 63 Cb 0.66 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1u1z h GLU 63 CO 0.13 0.34 0.00 0.00 -1.18 0.00 0.00 179.01 178.31 1u1z n ALA 64 N -2.40 0.98 0.00 2.92 0.00 -0.35 -1.67 120.51 119.99 1u1z n ALA 64 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1u1z n ALA 64 Cb 0.65 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.39 0.00 -0.37 0.00 0.00 -0.65 -2.14 120.51 117.75 1u1z n ALA 66 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1u1z n ALA 66 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 1.30 -0.23 0.00 4.20 -1.58 0.12 115.11 118.92 1u1z h GLN 67 Ca 0.00 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 1u1z h GLN 67 Cb 0.00 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 1u1z h GLN 67 CO 0.00 0.86 -0.48 0.00 -0.67 0.00 0.00 178.83 178.54 1u1z h ALA 68 N 1.38 0.73 -0.05 3.87 0.00 -1.70 -2.45 119.26 121.05 1u1z h ALA 68 Ca 0.36 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u1z h ALA 68 Cb -0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1u1z h ALA 68 CO -0.08 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.87 1u1z h ALA 69 N 0.99 0.06 -0.33 0.00 0.00 -1.59 -2.38 119.26 116.01 1u1z h ALA 69 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1u1z h ALA 69 Cb 1.01 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1u1z h ALA 69 CO 0.09 -0.45 -0.27 0.78 0.00 0.00 0.00 179.25 179.40 1u1z h GLY 70 N 0.05 -0.15 0.12 0.00 0.00 -0.61 0.56 103.07 103.04 1u1z h GLY 70 Ca 0.02 0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.77 1u1z h GLY 70 CO -0.01 -0.21 -0.13 -2.22 0.00 0.00 0.00 176.54 173.97 1u1z h ILE 71 N -0.23 0.53 -0.08 2.60 2.04 -1.22 -1.88 117.51 119.27 1u1z h ILE 71 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1u1z h ILE 71 Cb 0.49 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1u1z h ILE 71 CO -0.47 0.00 -0.24 0.25 0.00 0.00 0.00 178.15 177.70 1u1z h LEU 72 N -0.04 -0.72 -1.98 1.44 5.85 -0.65 -1.63 115.31 117.57 1u1z h LEU 72 Ca 0.20 0.11 0.24 0.00 0.84 0.00 0.00 57.88 59.27 1u1z h LEU 72 Cb 0.34 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1u1z h LEU 72 CO -0.45 -0.29 0.60 1.23 -0.34 0.00 0.00 178.44 179.19 1u1z h GLY 73 N -0.33 0.03 0.04 3.75 0.00 -0.16 -2.21 103.07 104.19 1u1z h GLY 73 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1u1z h GLY 73 CO -0.27 -0.00 -0.21 0.74 0.00 0.00 0.00 176.54 176.80 1u1z h PHE 74 N 0.01 0.03 0.00 5.60 0.05 -0.84 -3.32 116.94 118.47 1u1z h PHE 74 Ca 0.40 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.17 1u1z h PHE 74 Cb 1.58 -0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.53 1u1z h PHE 74 CO -0.00 1.08 0.00 1.63 -0.18 0.00 0.00 178.31 180.84 1u1z n LYS 75 N -4.56 0.00 0.00 1.51 4.76 -0.71 -2.66 118.16 116.50 1u1z n LYS 75 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1u1z n LYS 75 Cb 0.53 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 1u1z n LYS 75 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u1z n LEU 77 N 1.62 0.00 -3.78 -0.35 4.77 -1.25 -4.56 117.00 113.45 1u1z n LEU 77 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1u1z n LEU 77 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1u1z n LEU 77 CO 0.00 0.00 -0.28 -0.67 -1.33 0.00 0.00 177.39 175.11 1u1z n ASP 78 N 0.00 0.15 -4.62 -1.43 4.64 -1.09 -4.91 116.55 109.29 1u1z n ASP 78 Ca 0.00 -0.92 -0.28 0.00 -1.38 0.00 0.00 54.79 52.21 1u1z n ASP 78 Cb 0.00 -1.15 -0.11 0.00 -1.04 0.00 0.00 41.12 38.82 1u1z n ASP 78 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1u1z s VAL 79 N -3.63 1.97 -0.23 5.18 -7.23 -1.11 -5.13 120.40 110.22 1u1z s VAL 79 Ca 0.16 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1u1z s VAL 79 Cb -0.10 -2.99 0.06 0.00 0.56 0.00 0.00 36.38 33.92 1u1z s VAL 79 CO 0.73 0.00 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.94 1u1z s LYS 80 N -3.72 1.47 0.69 4.82 1.02 -1.26 -4.58 119.74 118.18 1u1z s LYS 80 Ca 0.35 -0.92 -0.16 0.00 0.02 0.00 0.00 55.97 55.26 1u1z s LYS 80 Cb 0.10 -2.52 -0.11 0.00 -0.52 0.00 0.00 37.83 34.78 1u1z s LYS 80 CO 0.18 -0.61 -0.90 -2.30 -0.92 0.00 0.00 175.35 170.80 1u1z n PRO 81 N 4.72 0.00 -0.00 -1.68 -0.02 -1.26 -5.13 135.00 131.63 1u1z n PRO 81 Ca -0.11 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.39 1u1z n PRO 81 Cb 0.44 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 33.08 1u1z n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u1z n ALA 82 N -2.72 2.14 0.00 3.55 0.00 -1.26 -4.95 120.51 117.27 1u1z n ALA 82 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1u1z n ALA 82 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1u1z n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u1z n GLY 84 N 2.28 2.39 3.73 0.00 0.00 -1.26 -5.17 105.19 107.17 1u1z n GLY 84 Ca -0.01 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 2.44 -0.05 2.61 2.01 -1.26 -1.77 115.64 119.61 1u1z s THR 85 Ca 0.00 0.34 -0.09 0.00 0.31 0.00 0.00 61.69 62.25 1u1z s THR 85 Cb 0.00 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1u1z s THR 85 CO 0.00 0.04 0.22 -0.22 -0.69 0.00 0.00 174.62 173.98 1u1z s LEU 86 N 0.28 1.17 -0.96 4.42 2.96 0.25 -4.82 118.68 121.97 1u1z s LEU 86 Ca 0.66 0.23 -0.17 0.00 -0.22 0.00 0.00 54.13 54.63 1u1z s LEU 86 Cb -0.45 0.86 0.15 0.00 0.50 0.00 0.00 46.19 47.25 1u1z s LEU 86 CO 0.39 -0.22 1.13 -0.31 -1.32 0.00 0.00 176.35 176.02 1u1z s TYR 87 N -0.51 3.28 0.10 5.38 1.51 -1.26 -0.14 117.35 125.71 1u1z s TYR 87 Ca -0.06 -1.61 -0.31 0.00 -1.01 0.00 0.00 57.07 54.08 1u1z s TYR 87 Cb -0.04 -4.22 -0.09 0.00 -0.11 0.00 0.00 41.96 37.50 1u1z s TYR 87 CO 0.01 -1.40 1.72 -0.47 -1.11 0.00 0.00 175.55 174.31 1u1z s TYR 88 N 2.12 2.34 -0.65 2.71 5.04 -0.77 -4.66 117.35 123.48 1u1z s TYR 88 Ca 0.32 0.19 -0.26 0.00 -2.44 0.00 0.00 57.07 54.88 1u1z s TYR 88 Cb -0.05 -4.05 -0.02 0.00 0.35 0.00 0.00 41.96 38.19 1u1z s TYR 88 CO -0.08 -4.27 1.80 0.12 -1.34 0.00 0.00 175.55 171.78 1u1z s PHE 89 N 2.60 1.75 -0.14 4.97 5.36 -1.26 -0.30 117.98 130.95 1u1z s PHE 89 Ca 0.77 0.66 0.21 0.00 -0.96 0.00 0.00 56.93 57.61 1u1z s PHE 89 Cb -0.43 -4.15 -0.15 0.00 -0.34 0.00 0.00 43.02 37.95 1u1z s PHE 89 CO 0.34 -2.24 0.76 1.33 -1.46 0.00 0.00 175.22 173.95 1u1z n VAL 90 N 7.16 0.54 0.00 3.12 0.24 0.17 -4.99 118.33 124.58 1u1z n VAL 90 Ca 0.20 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1u1z n VAL 90 Cb 0.51 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 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 1.28 -0.84 3.52 7.63 0.00 -1.10 -5.04 105.19 110.65 1u1z n GLY 91 Ca -0.05 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.63 0.00 1.61 0.15 -1.26 -1.26 113.70 112.31 1u1z s SER 92 Ca 0.00 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1u1z s SER 92 Cb 0.00 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1u1z s SER 92 CO 0.00 -0.60 0.00 0.47 1.20 0.00 0.00 173.24 174.31 1u1z n ASP 93 N 0.83 0.00 -4.68 5.45 10.43 -1.21 -4.95 116.55 122.42 1u1z n ASP 93 Ca -0.18 0.00 -0.45 0.00 2.57 0.00 0.00 54.79 56.73 1u1z n ASP 93 Cb 0.57 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.50 1u1z n ASP 93 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1u1z n LYS 94 N 0.00 2.50 -3.58 -1.24 4.01 -1.26 -4.84 118.16 113.74 1u1z n LYS 94 Ca 0.00 0.91 -0.19 0.00 -0.51 0.00 0.00 58.31 58.52 1u1z n LYS 94 Cb 0.00 -2.79 -0.15 0.00 -0.51 0.00 0.00 35.03 31.59 1u1z n LYS 94 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1u1z s LEU 95 N 3.32 -0.03 0.03 -0.35 2.96 -1.25 -1.89 118.68 121.48 1u1z s LEU 95 Ca 0.87 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1u1z s LEU 95 Cb -0.58 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 1u1z s LEU 95 CO 0.44 -0.30 0.02 -0.13 -1.32 0.00 0.00 176.35 175.06 1u1z s ARG 96 N 2.29 0.50 0.10 1.98 3.00 0.49 -5.00 118.95 122.30 1u1z s ARG 96 Ca 0.04 -0.82 0.07 0.00 0.00 0.00 0.00 55.73 55.02 1u1z s ARG 96 Cb -0.14 0.18 -0.03 0.00 0.00 0.00 0.00 34.95 34.96 1u1z s ARG 96 CO -0.09 -0.10 -0.17 -0.06 0.00 0.00 0.00 175.30 174.88 1u1z s PHE 97 N -2.53 1.51 0.00 -0.53 0.40 -1.26 -0.72 117.98 114.85 1u1z s PHE 97 Ca -0.06 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1u1z s PHE 97 Cb -0.02 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.69 1u1z s PHE 97 CO -0.05 0.15 0.00 0.54 0.70 0.00 0.00 175.22 176.56 1u1z n ARG 98 N 0.99 0.00 -2.17 0.44 5.12 0.06 -4.94 116.66 116.16 1u1z n ARG 98 Ca -0.19 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.39 1u1z n ARG 98 Cb 0.55 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.86 1u1z n ARG 98 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1u1z s GLN 99 N 2.21 3.27 0.36 5.56 -2.07 -1.26 -5.00 119.66 122.72 1u1z s GLN 99 Ca 0.00 1.55 -0.22 0.00 -1.82 0.00 0.00 55.36 54.87 1u1z s GLN 99 Cb 0.00 -2.00 -0.10 0.00 -1.09 0.00 0.00 33.01 29.82 1u1z s GLN 99 CO 0.00 -0.91 0.89 -1.25 -1.32 0.00 0.00 175.29 172.71 1u1z s PRO 100 N -3.46 4.32 0.00 9.60 0.04 -1.26 -4.77 135.00 139.47 1u1z s PRO 100 Ca 0.71 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 1u1z s PRO 100 Cb -0.23 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 1u1z s PRO 100 CO 0.30 0.15 0.81 0.08 0.04 0.00 0.00 177.00 178.37 1u1z s VAL 101 N -1.89 4.85 0.32 -0.36 1.01 -1.26 -5.06 120.40 118.01 1u1z s VAL 101 Ca 0.55 1.70 0.10 0.00 0.00 0.00 0.00 61.98 64.33 1u1z s VAL 101 Cb -0.13 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1u1z s VAL 101 CO 0.18 0.28 -0.13 -0.76 0.00 0.00 0.00 175.10 174.67 1u1z s LEU 102 N 0.47 2.70 0.23 3.92 1.43 -1.26 -4.59 118.68 121.58 1u1z s LEU 102 Ca 0.42 -1.14 -0.32 0.00 -1.03 0.00 0.00 54.13 52.06 1u1z s LEU 102 Cb -0.20 -1.04 -0.12 0.00 0.03 0.00 0.00 46.19 44.85 1u1z s LEU 102 CO 0.23 -0.13 1.61 -2.65 0.23 0.00 0.00 176.35 175.65 1u1z n PRO 103 N -0.74 2.54 0.00 1.29 -0.02 -1.26 -1.41 135.00 135.40 1u1z n PRO 103 Ca -0.05 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1u1z n PRO 103 Cb 0.62 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.04 1.81 3.84 -1.23 0.00 -0.51 -4.95 105.19 107.19 1u1z n GLY 104 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.68 6.68 -0.64 1.61 -0.00 -0.50 -4.89 116.67 117.26 1u1z s ASP 105 Ca 0.00 1.56 -0.02 0.00 -0.00 0.00 0.00 52.55 54.09 1u1z s ASP 105 Cb 0.00 -2.50 0.16 0.00 -0.00 0.00 0.00 42.92 40.58 1u1z s ASP 105 CO 0.00 -0.52 0.45 -1.58 -0.00 0.00 0.00 175.17 173.51 1u1z s GLN 106 N -3.86 2.55 -0.09 8.23 0.74 -1.26 -1.39 119.66 124.57 1u1z s GLN 106 Ca 0.59 -2.63 -0.29 0.00 0.05 0.00 0.00 55.36 53.08 1u1z s GLN 106 Cb -0.10 -3.69 -0.07 0.00 1.10 0.00 0.00 33.01 30.25 1u1z s GLN 106 CO 0.28 -1.18 2.10 -0.11 -0.55 0.00 0.00 175.29 175.83 1u1z n LEU 107 N 3.30 3.69 -4.77 3.68 7.94 -0.74 -4.63 117.00 125.48 1u1z n LEU 107 Ca 0.09 0.56 -0.38 0.00 -1.11 0.00 0.00 56.01 55.17 1u1z n LEU 107 Cb 0.37 -1.53 -0.06 0.00 0.53 0.00 0.00 43.42 42.73 1u1z n LEU 107 CO 0.34 -0.24 0.17 -1.10 -1.11 0.00 0.00 177.39 175.44 1u1z s GLN 108 N 5.40 4.20 -0.08 1.96 -0.21 0.38 -1.03 119.66 130.28 1u1z s GLN 108 Ca 0.95 0.49 0.04 0.00 0.02 0.00 0.00 55.36 56.86 1u1z s GLN 108 Cb -0.40 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.25 1u1z s GLN 108 CO 0.39 0.38 -0.20 -0.51 -2.12 0.00 0.00 175.29 173.23 1u1z s LEU 109 N -0.13 2.33 -0.02 2.90 1.43 0.48 -0.69 118.68 124.98 1u1z s LEU 109 Ca 0.26 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1u1z s LEU 109 Cb -0.16 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1u1z s LEU 109 CO 0.13 0.23 -0.11 -1.00 0.23 0.00 0.00 176.35 175.83 1u1z s HIS 110 N -0.08 1.09 -0.04 0.29 3.76 0.60 -0.92 115.29 119.98 1u1z s HIS 110 Ca -0.05 -0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 54.60 1u1z s HIS 110 Cb -0.14 -0.74 0.03 0.00 1.11 0.00 0.00 32.58 32.84 1u1z s HIS 110 CO 0.04 -0.07 0.09 0.00 -0.85 0.00 0.00 174.74 173.95 1u1z s ALA 111 N -0.04 -0.11 -0.06 -1.40 0.00 -0.86 -0.89 121.76 118.39 1u1z s ALA 111 Ca 0.00 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.47 1u1z s ALA 111 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 1u1z s ALA 111 CO 0.00 -0.12 -0.21 0.21 0.00 0.00 0.00 175.76 175.65 1u1z s LYS 112 N 0.97 2.30 0.15 0.00 2.20 -0.86 -0.57 119.74 123.93 1u1z s LYS 112 Ca -0.08 -0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 54.48 1u1z s LYS 112 Cb -0.10 -1.89 -0.09 0.00 -1.51 0.00 0.00 37.83 34.24 1u1z s LYS 112 CO -0.04 0.25 1.43 0.12 -0.36 0.00 0.00 175.35 176.74 1u1z s PHE 113 N 0.12 3.18 0.00 4.03 5.36 0.22 -1.45 117.98 129.44 1u1z s PHE 113 Ca -0.08 0.92 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1u1z s PHE 113 Cb -0.14 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 1u1z s PHE 113 CO 0.04 -2.59 0.00 -0.89 -1.46 0.00 0.00 175.22 170.33 1u1z n ILE 114 N 3.60 0.00 -2.68 3.12 2.08 -0.72 -4.92 119.36 119.85 1u1z n ILE 114 Ca 0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.42 1u1z n ILE 114 Cb 0.41 -0.38 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 1u1z n ILE 114 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1u1z n SER 115 N -0.21 1.20 0.00 4.38 3.41 -1.24 -4.99 113.62 116.17 1u1z n SER 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1u1z n SER 115 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1u1z n SER 115 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1u1z n VAL 116 N 0.00 0.00 -3.21 -3.33 3.14 -1.26 -3.50 118.33 110.17 1u1z n VAL 116 Ca 0.00 0.00 -0.46 0.00 -2.96 0.00 0.00 64.34 60.92 1u1z n VAL 116 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1u1z n VAL 116 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1u1z s LYS 117 N 0.00 3.40 4.60 1.45 2.36 -0.99 -4.88 119.74 125.68 1u1z s LYS 117 Ca 0.00 -1.99 0.00 0.00 -2.55 0.00 0.00 55.97 51.43 1u1z s LYS 117 Cb 0.00 -4.47 0.00 0.00 -1.05 0.00 0.00 37.83 32.31 1u1z s LYS 117 CO 0.00 -1.44 0.00 0.54 1.55 0.00 0.00 175.35 176.00 1u1z n ARG 118 N 5.12 0.00 -0.00 4.03 5.12 -1.26 -3.09 116.66 126.57 1u1z n ARG 118 Ca 0.07 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.08 1u1z n ARG 118 Cb 0.45 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.63 1u1z n ARG 118 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1u1z n SER 119 N 7.80 0.78 -4.80 0.55 2.88 -1.26 -4.98 113.62 114.59 1u1z n SER 119 Ca 0.00 -0.65 -0.35 0.00 -1.33 0.00 0.00 58.87 56.53 1u1z n SER 119 Cb 0.00 1.28 -0.06 0.00 -0.75 0.00 0.00 64.21 64.67 1u1z n SER 119 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1u1z s ILE 120 N -2.96 4.38 0.02 2.46 -1.09 -1.18 -2.66 121.20 120.17 1u1z s ILE 120 Ca 0.03 1.54 0.04 0.00 -2.23 0.00 0.00 60.65 60.03 1u1z s ILE 120 Cb 0.14 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1u1z s ILE 120 CO 0.79 0.02 -0.12 0.26 -1.23 0.00 0.00 174.94 174.66 1u1z s TRP 121 N -1.76 1.02 -0.05 3.97 0.52 0.28 -2.35 118.94 120.57 1u1z s TRP 121 Ca 0.52 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 56.39 1u1z s TRP 121 Cb -0.15 -0.62 -0.01 0.00 -1.15 0.00 0.00 33.47 31.54 1u1z s TRP 121 CO 0.20 0.00 -0.19 0.15 0.02 0.00 0.00 176.95 177.13 1u1z s LYS 122 N -0.84 1.99 0.06 4.98 1.02 -1.23 -1.51 119.74 124.21 1u1z s LYS 122 Ca 0.01 -0.69 0.05 0.00 0.02 0.00 0.00 55.97 55.36 1u1z s LYS 122 Cb -0.07 -1.71 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 1u1z s LYS 122 CO 0.01 0.28 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.51 1u1z s PHE 123 N -0.01 1.25 -0.43 3.18 0.40 0.43 -1.75 117.98 121.05 1u1z s PHE 123 Ca -0.04 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 55.80 1u1z s PHE 123 Cb -0.12 -0.72 0.09 0.00 0.51 0.00 0.00 43.02 42.79 1u1z s PHE 123 CO 0.03 0.06 0.26 0.34 0.70 0.00 0.00 175.22 176.60 1u1z s ASP 124 N -1.52 5.56 -0.02 1.36 3.68 -0.53 -0.61 116.67 124.58 1u1z s ASP 124 Ca -0.00 -1.70 -0.00 0.00 2.13 0.00 0.00 52.55 52.97 1u1z s ASP 124 Cb -0.09 -1.95 -0.04 0.00 -1.45 0.00 0.00 42.92 39.39 1u1z s ASP 124 CO 0.02 -0.57 0.03 0.00 0.13 0.00 0.00 175.17 174.78 1u1z s HIS 126 N -1.08 0.42 -0.08 0.00 3.76 -0.07 -1.56 115.29 116.69 1u1z s HIS 126 Ca 0.19 -0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.06 1u1z s HIS 126 Cb -0.12 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.18 1u1z s HIS 126 CO 0.10 -0.08 -0.15 0.00 -0.85 0.00 0.00 174.74 173.75 1u1z s ALA 127 N 0.48 2.59 -0.01 -1.40 0.00 -0.45 -0.29 121.76 122.67 1u1z s ALA 127 Ca -0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1u1z s ALA 127 Cb -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1u1z s ALA 127 CO -0.01 0.44 0.12 0.95 0.00 0.00 0.00 175.76 177.27 1u1z s THR 128 N -0.31 0.06 -0.21 0.00 -4.23 0.14 -0.99 115.64 110.09 1u1z s THR 128 Ca 0.02 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1u1z s THR 128 Cb -0.13 -0.34 0.03 0.00 1.34 0.00 0.00 72.50 73.40 1u1z s THR 128 CO 0.03 -0.26 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.01 1u1z s VAL 129 N -0.89 2.35 -1.39 2.29 1.01 -0.01 -0.47 120.40 123.28 1u1z s VAL 129 Ca -0.10 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1u1z s VAL 129 Cb -0.06 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.25 1u1z s VAL 129 CO 0.01 0.36 0.90 0.47 0.00 0.00 0.00 175.10 176.85 1u1z n ASP 130 N 4.61 -3.37 0.00 3.32 8.00 -1.26 -1.57 116.55 126.29 1u1z n ASP 130 Ca -0.19 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1u1z n ASP 130 Cb 0.48 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 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 -2.97 0.00 -4.69 -2.24 10.43 -1.26 -4.96 116.55 110.85 1u1z n ASP 131 Ca -0.12 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.81 1u1z n ASP 131 Cb 0.60 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.53 1u1z n ASP 131 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1u1z s LYS 132 N 0.00 4.26 0.32 -1.24 -0.14 -0.61 -4.96 119.74 117.38 1u1z s LYS 132 Ca 0.00 2.11 -0.29 0.00 -1.36 0.00 0.00 55.97 56.43 1u1z s LYS 132 Cb 0.00 -3.51 -0.10 0.00 -1.68 0.00 0.00 37.83 32.54 1u1z s LYS 132 CO 0.00 -0.60 1.37 -1.25 -0.76 0.00 0.00 175.35 174.11 1u1z s PRO 133 N 2.21 4.29 0.00 -1.68 0.04 -1.26 -0.83 135.00 137.76 1u1z s PRO 133 Ca 0.67 2.31 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1u1z s PRO 133 Cb -0.35 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1u1z s PRO 133 CO 0.29 -0.31 0.00 0.28 0.04 0.00 0.00 177.00 177.30 1u1z n VAL 134 N 1.09 0.00 -3.49 -0.36 0.31 -0.16 -4.35 118.33 111.37 1u1z n VAL 134 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 1u1z n VAL 134 Cb 0.41 -0.38 -0.04 0.00 -0.91 0.00 0.00 33.84 32.92 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 -2.28 -0.77 0.05 0.00 1.04 0.10 -1.34 113.70 110.50 1u1z s SER 136 Ca -0.03 1.41 -0.27 0.00 0.48 0.00 0.00 55.95 57.54 1u1z s SER 136 Cb -0.01 1.38 0.09 0.00 0.10 0.00 0.00 66.02 67.58 1u1z s SER 136 CO -0.06 -0.24 0.75 0.00 0.98 0.00 0.00 173.24 174.67 1u1z s ALA 137 N 0.73 -1.73 -0.55 5.32 0.00 -0.60 -0.38 121.76 124.55 1u1z s ALA 137 Ca -0.03 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1u1z s ALA 137 Cb -0.05 0.51 0.14 0.00 0.00 0.00 0.00 23.12 23.72 1u1z s ALA 137 CO -0.05 -0.67 0.46 -2.00 0.00 0.00 0.00 175.76 173.50 1u1z s GLU 138 N -3.06 2.80 0.29 0.00 2.12 -0.79 -0.60 118.70 119.46 1u1z s GLU 138 Ca 0.01 -1.91 -0.28 0.00 0.36 0.00 0.00 54.97 53.15 1u1z s GLU 138 Cb -0.01 -4.09 -0.09 0.00 0.26 0.00 0.00 34.13 30.19 1u1z s GLU 138 CO -0.08 -1.25 1.03 0.42 -0.54 0.00 0.00 175.26 174.84 1u1z s ILE 139 N 1.15 3.75 -0.15 -3.70 -1.09 0.22 -3.32 121.20 118.05 1u1z s ILE 139 Ca 0.08 1.65 0.01 0.00 -2.23 0.00 0.00 60.65 60.16 1u1z s ILE 139 Cb -0.25 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.65 1u1z s ILE 139 CO -0.01 0.31 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.22 1u1z s ILE 140 N -1.30 1.72 0.20 2.92 1.01 -0.39 -0.43 121.20 124.93 1u1z s ILE 140 Ca 0.46 -0.74 0.11 0.00 0.00 0.00 0.00 60.65 60.49 1u1z s ILE 140 Cb -0.27 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1u1z s ILE 140 CO 0.35 0.48 -0.22 0.00 0.00 0.00 0.00 174.94 175.55 1u1z s ALA 142 N -1.91 1.99 -0.16 0.00 0.00 0.59 -0.56 121.76 121.71 1u1z s ALA 142 Ca 0.21 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1u1z s ALA 142 Cb -0.07 -1.41 -0.07 0.00 0.00 0.00 0.00 23.12 21.57 1u1z s ALA 142 CO 0.10 -1.12 2.13 -1.91 0.00 0.00 0.00 175.76 174.96 1u1z n GLU 143 N 4.67 2.12 -4.44 0.00 2.13 -1.09 -1.84 120.64 122.19 1u1z n GLU 143 Ca -0.13 0.66 -0.26 0.00 0.66 0.00 0.00 57.16 58.10 1u1z n GLU 143 Cb 0.44 -3.05 -0.07 0.00 0.27 0.00 0.00 31.44 29.03 1u1z n GLU 143 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1u1z n ARG 144 N 8.22 0.57 -3.74 5.31 3.00 0.81 -4.95 116.66 125.88 1u1z n ARG 144 Ca 0.28 -3.50 -0.25 0.00 -0.00 0.00 0.00 57.85 54.38 1u1z n ARG 144 Cb 0.40 1.91 -0.17 0.00 0.00 0.00 0.00 32.46 34.60 1u1z n ARG 144 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1u1z s LYS 145 N -3.58 0.55 0.00 -0.14 1.02 -1.26 -0.59 119.74 115.75 1u1z s LYS 145 Ca 0.21 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1u1z s LYS 145 Cb 0.01 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 1u1z s LYS 145 CO 0.15 -0.48 0.36 1.28 -0.92 0.00 0.00 175.35 175.74