#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 1.08 -0.67 2.12 6.09 -1.93 0.61 117.51 124.81 1u1z h ILE 4 Ca 0.00 -0.38 -0.08 0.00 -1.37 0.00 0.00 64.86 63.03 1u1z h ILE 4 Cb 0.00 -0.12 -0.03 0.00 0.47 0.00 0.00 36.82 37.15 1u1z h ILE 4 CO 0.00 0.20 0.11 0.78 -3.07 0.00 0.00 178.15 176.17 1u1z h ASN 5 N 1.10 1.06 -0.25 2.19 -0.26 -1.98 -0.03 115.58 117.42 1u1z h ASN 5 Ca 0.41 -0.26 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 1u1z h ASN 5 Cb 0.18 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1u1z h ASN 5 CO -0.16 1.05 -0.18 -0.33 -1.06 0.00 0.00 177.43 176.76 1u1z h GLU 6 N 1.03 0.56 -0.61 0.81 5.08 -1.88 -3.00 114.58 116.56 1u1z h GLU 6 Ca 0.20 -0.27 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1u1z h GLU 6 Cb 0.44 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 1u1z h GLU 6 CO 0.01 0.84 0.18 0.82 -1.00 0.00 0.00 179.01 179.86 1u1z h ILE 7 N 0.27 0.69 0.00 3.13 2.04 -0.60 0.37 117.51 123.41 1u1z h ILE 7 Ca 0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1u1z h ILE 7 Cb 0.71 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1u1z h ILE 7 CO 0.05 0.06 0.00 0.54 0.00 0.00 0.00 178.15 178.80 1u1z n ARG 8 N -5.07 0.52 0.04 2.37 1.74 -0.05 -1.60 116.66 114.61 1u1z n ARG 8 Ca 0.09 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.29 1u1z n ARG 8 Cb 0.31 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 1u1z n ARG 8 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1u1z n GLU 9 N -0.91 0.45 -0.02 5.56 1.02 0.12 -4.34 120.64 122.53 1u1z n GLU 9 Ca 0.10 -0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.25 1u1z n GLU 9 Cb 0.05 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 29.76 1u1z n GLU 9 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1u1z n TYR 10 N -2.22 0.00 -4.50 -0.32 4.01 -0.63 -4.75 117.16 108.75 1u1z n TYR 10 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.41 1u1z n TYR 10 Cb 0.49 -0.26 -0.12 0.00 -0.31 0.00 0.00 39.34 39.15 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 -3.92 3.21 0.21 7.72 1.43 -0.73 -4.85 118.68 121.74 1u1z s LEU 11 Ca -0.03 -0.09 0.25 0.00 -1.03 0.00 0.00 54.13 53.23 1u1z s LEU 11 Cb 0.04 -1.74 0.65 0.00 0.03 0.00 0.00 46.19 45.18 1u1z s LEU 11 CO 0.35 0.24 1.65 1.55 0.23 0.00 0.00 176.35 180.37 1u1z h PRO 12 N 6.14 0.00 -6.65 1.29 0.13 -1.87 -3.43 132.00 127.61 1u1z h PRO 12 Ca -0.37 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.17 1u1z h PRO 12 Cb 1.19 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.45 1u1z h PRO 12 CO 0.58 0.00 0.13 0.72 -0.23 0.00 0.00 178.00 179.20 1u1z n HIS 13 N -2.32 1.04 -4.23 1.56 8.25 -1.26 -5.02 115.22 113.24 1u1z n HIS 13 Ca 0.05 0.54 -0.17 0.00 -0.26 0.00 0.00 57.72 57.88 1u1z n HIS 13 Cb 0.44 -2.21 -0.08 0.00 1.12 0.00 0.00 29.99 29.27 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 -2.09 1.62 0.28 -0.41 1.81 -1.26 -4.77 118.95 114.13 1u1z s ARG 14 Ca 0.65 -1.87 -0.30 0.00 -1.72 0.00 0.00 55.73 52.49 1u1z s ARG 14 Cb -0.54 0.33 -0.12 0.00 -0.45 0.00 0.00 34.95 34.17 1u1z s ARG 14 CO 0.56 -0.59 1.51 0.98 -0.68 0.00 0.00 175.30 177.07 1u1z n TYR 15 N -0.51 2.59 -1.62 -0.53 4.19 -1.26 0.10 117.16 120.12 1u1z n TYR 15 Ca 0.05 0.34 -0.37 0.00 3.31 0.00 0.00 57.90 61.24 1u1z n TYR 15 Cb 0.63 -2.54 0.05 0.00 0.49 0.00 0.00 39.34 37.98 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 1.95 2.68 -1.04 2.98 -0.04 -1.26 -4.96 135.00 135.30 1u1z n PRO 16 Ca 0.09 -3.31 0.04 0.00 -0.04 0.00 0.00 63.50 60.29 1u1z n PRO 16 Cb 0.35 -2.25 0.08 0.00 -0.04 0.00 0.00 33.50 31.64 1u1z n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1u1z n PHE 17 N -0.61 0.00 -3.47 0.54 7.35 0.28 -4.98 117.46 116.57 1u1z n PHE 17 Ca 0.57 -0.75 -0.43 0.00 -0.76 0.00 0.00 57.45 56.08 1u1z n PHE 17 Cb 0.44 -0.17 -0.09 0.00 0.35 0.00 0.00 39.48 40.01 1u1z n PHE 17 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1u1z s LEU 18 N -1.08 5.25 -0.42 -2.13 2.96 -1.19 -4.52 118.68 117.56 1u1z s LEU 18 Ca 0.31 -1.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.11 1u1z s LEU 18 Cb 0.33 -2.13 0.46 0.00 0.50 0.00 0.00 46.19 45.35 1u1z s LEU 18 CO -0.11 -0.53 1.50 0.18 -1.32 0.00 0.00 176.35 176.07 1u1z n LEU 19 N 5.12 5.87 -3.57 -0.68 4.77 -1.26 -4.86 117.00 122.39 1u1z n LEU 19 Ca -0.12 -4.55 -0.24 0.00 -0.03 0.00 0.00 56.01 51.08 1u1z n LEU 19 Cb 0.45 -0.58 -0.16 0.00 -2.33 0.00 0.00 43.42 40.81 1u1z n LEU 19 CO 0.42 1.85 -0.29 -0.69 -1.33 0.00 0.00 177.39 177.35 1u1z s VAL 20 N -4.62 -0.16 -0.30 4.08 1.01 -1.26 -4.57 120.40 114.58 1u1z s VAL 20 Ca 0.56 -0.21 0.23 0.00 0.00 0.00 0.00 61.98 62.55 1u1z s VAL 20 Cb 0.44 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 36.21 1u1z s VAL 20 CO 0.02 -0.30 1.11 0.44 0.00 0.00 0.00 175.10 176.37 1u1z h ASP 21 N 8.39 0.00 -3.54 3.32 3.32 -1.32 -3.48 116.42 123.11 1u1z h ASP 21 Ca -0.16 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 56.95 1u1z h ASP 21 Cb 1.14 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.43 1u1z h ASP 21 CO 0.30 0.01 0.54 -0.60 -1.72 0.00 0.00 179.24 177.77 1u1z s ARG 22 N -3.33 0.50 -0.34 3.56 3.52 -0.96 -4.08 118.95 117.83 1u1z s ARG 22 Ca 0.01 0.35 -0.07 0.00 -0.13 0.00 0.00 55.73 55.89 1u1z s ARG 22 Cb 0.10 0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.77 1u1z s ARG 22 CO 0.77 -0.11 0.11 0.08 -0.81 0.00 0.00 175.30 175.34 1u1z s VAL 23 N -0.41 3.83 0.11 7.11 1.01 -1.26 -0.55 120.40 130.23 1u1z s VAL 23 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1u1z s VAL 23 Cb -0.03 -3.16 -0.23 0.00 0.00 0.00 0.00 36.38 32.97 1u1z s VAL 23 CO -0.03 -0.17 1.24 -0.37 0.00 0.00 0.00 175.10 175.77 1u1z h VAL 24 N 6.15 1.55 -2.58 2.92 -1.51 -1.27 -3.45 116.25 118.06 1u1z h VAL 24 Ca -0.24 -3.01 -0.10 0.00 -1.23 0.00 0.00 66.70 62.12 1u1z h VAL 24 Cb 1.08 2.77 -0.27 0.00 -2.13 0.00 0.00 31.29 32.75 1u1z h VAL 24 CO 0.60 0.87 -0.30 -0.70 -1.23 0.00 0.00 177.57 176.81 1u1z s GLU 25 N -2.84 0.39 -0.43 5.19 2.12 -0.69 -5.01 118.70 117.43 1u1z s GLU 25 Ca -0.03 0.88 0.03 0.00 0.36 0.00 0.00 54.97 56.22 1u1z s GLU 25 Cb 0.09 0.08 0.12 0.00 0.26 0.00 0.00 34.13 34.68 1u1z s GLU 25 CO 0.85 -0.18 0.17 -1.17 -0.54 0.00 0.00 175.26 174.39 1u1z s LEU 26 N 1.75 4.14 -1.10 2.70 2.96 -1.26 -0.07 118.68 127.81 1u1z s LEU 26 Ca -0.07 -2.55 -0.15 0.00 -0.22 0.00 0.00 54.13 51.13 1u1z s LEU 26 Cb -0.09 -1.51 0.17 0.00 0.50 0.00 0.00 46.19 45.25 1u1z s LEU 26 CO -0.13 -0.30 1.29 -0.62 -1.32 0.00 0.00 176.35 175.26 1u1z s ASP 27 N 0.37 6.93 0.56 3.68 2.15 -0.73 -4.85 116.67 124.78 1u1z s ASP 27 Ca 0.14 -2.71 0.26 0.00 0.43 0.00 0.00 52.55 50.67 1u1z s ASP 27 Cb -0.23 -2.38 1.64 0.00 -0.30 0.00 0.00 42.92 41.65 1u1z s ASP 27 CO -0.05 -0.82 2.21 -0.29 -0.17 0.00 0.00 175.17 176.05 1u1z h ILE 28 N 4.99 0.67 -0.12 4.11 2.10 -1.96 0.14 117.51 127.43 1u1z h ILE 28 Ca 0.25 -0.06 -0.16 0.00 1.08 0.00 0.00 64.86 65.96 1u1z h ILE 28 Cb 0.93 1.04 0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1u1z h ILE 28 CO 1.17 0.02 -0.56 -0.33 -1.08 0.00 0.00 178.15 177.37 1u1z h GLU 29 N 0.00 0.59 0.00 2.19 5.08 -1.94 -3.02 114.58 117.49 1u1z h GLU 29 Ca -0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1u1z h GLU 29 Cb 0.04 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1u1z h GLU 29 CO 0.00 1.10 -0.02 0.41 -1.00 0.00 0.00 179.01 179.50 1u1z n GLY 30 N 0.68 -1.55 3.23 -3.84 0.00 -0.80 -4.94 105.19 97.97 1u1z n GLY 30 Ca -0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.72 -4.84 -3.81 1.61 5.02 0.43 -4.79 118.16 110.05 1u1z n LYS 31 Ca 0.07 0.80 -0.09 0.00 -2.02 0.00 0.00 58.31 57.06 1u1z n LYS 31 Cb 0.37 -5.62 -0.06 0.00 -0.02 0.00 0.00 35.03 29.69 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 -4.95 0.95 0.02 1.97 1.70 -1.00 0.01 118.95 117.65 1u1z s ARG 32 Ca 0.14 -0.91 -0.02 0.00 -0.47 0.00 0.00 55.73 54.47 1u1z s ARG 32 Cb -0.02 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 1u1z s ARG 32 CO 0.69 -0.33 0.01 -1.50 -1.08 0.00 0.00 175.30 173.08 1u1z s ILE 33 N -3.86 0.10 -0.08 4.99 2.07 0.27 -1.78 121.20 122.92 1u1z s ILE 33 Ca 0.06 -0.87 -0.00 0.00 -1.41 0.00 0.00 60.65 58.43 1u1z s ILE 33 Cb 0.04 -0.31 0.02 0.00 0.13 0.00 0.00 42.46 42.35 1u1z s ILE 33 CO -0.10 -0.48 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.27 1u1z s ARG 34 N -1.46 1.13 0.35 3.50 0.52 0.90 -2.12 118.95 121.78 1u1z s ARG 34 Ca -0.16 -0.13 -0.03 0.00 -0.52 0.00 0.00 55.73 54.89 1u1z s ARG 34 Cb -0.09 -1.24 0.01 0.00 0.52 0.00 0.00 34.95 34.15 1u1z s ARG 34 CO -0.00 -0.21 0.51 0.00 0.02 0.00 0.00 175.30 175.62 1u1z n ALA 35 N 4.70 -0.47 -2.98 2.13 0.00 -0.40 -0.72 120.51 122.78 1u1z n ALA 35 Ca -0.14 -1.57 -0.09 0.00 0.00 0.00 0.00 53.44 51.63 1u1z n ALA 35 Cb 0.50 1.27 -0.06 0.00 0.00 0.00 0.00 19.45 21.16 1u1z n ALA 35 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1u1z s TYR 36 N -2.88 0.21 -0.08 0.00 1.13 0.29 0.65 117.35 116.67 1u1z s TYR 36 Ca 0.28 -0.57 0.01 0.00 -1.41 0.00 0.00 57.07 55.38 1u1z s TYR 36 Cb -0.01 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 41.00 1u1z s TYR 36 CO 0.20 -0.82 -0.09 0.21 -2.51 0.00 0.00 175.55 172.54 1u1z s LYS 37 N -3.94 1.44 -0.13 -3.49 2.36 -0.21 -0.83 119.74 114.94 1u1z s LYS 37 Ca 0.15 -0.28 -0.29 0.00 -2.55 0.00 0.00 55.97 53.00 1u1z s LYS 37 Cb 0.01 -1.34 -0.01 0.00 -1.05 0.00 0.00 37.83 35.44 1u1z s LYS 37 CO 0.00 -0.10 0.98 -0.80 1.55 0.00 0.00 175.35 176.98 1u1z s ASN 38 N 1.11 7.19 -0.36 1.43 0.01 -1.26 -0.98 114.94 122.07 1u1z s ASN 38 Ca -0.07 1.46 -0.18 0.00 -0.71 0.00 0.00 52.86 53.37 1u1z s ASN 38 Cb -0.14 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 38.98 1u1z s ASN 38 CO -0.01 -0.46 0.49 -0.69 -1.51 0.00 0.00 177.10 174.92 1u1z s VAL 39 N 2.13 5.04 0.16 1.60 1.01 -0.78 -4.97 120.40 124.59 1u1z s VAL 39 Ca 0.46 0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.74 1u1z s VAL 39 Cb -0.18 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1u1z s VAL 39 CO 0.16 -0.25 -0.26 -0.55 0.00 0.00 0.00 175.10 174.21 1u1z s SER 40 N 1.78 3.38 0.54 3.32 0.15 -1.26 -0.21 113.70 121.39 1u1z s SER 40 Ca 0.17 -0.80 0.32 0.00 0.70 0.00 0.00 55.95 56.34 1u1z s SER 40 Cb -0.16 -0.24 1.27 0.00 -1.71 0.00 0.00 66.02 65.18 1u1z s SER 40 CO 0.13 0.15 1.95 -0.29 1.20 0.00 0.00 173.24 176.39 1u1z h ILE 41 N 3.56 0.05 -0.15 6.45 6.09 -1.96 -3.12 117.51 128.43 1u1z h ILE 41 Ca -0.49 -0.59 -0.09 0.00 -1.37 0.00 0.00 64.86 62.32 1u1z h ILE 41 Cb 1.19 1.56 -0.04 0.00 0.47 0.00 0.00 36.82 40.00 1u1z h ILE 41 CO 0.43 0.02 0.12 -3.20 -3.07 0.00 0.00 178.15 172.45 1u1z n ASN 42 N -3.12 5.01 -4.68 2.19 5.15 -1.26 -4.81 115.26 113.74 1u1z n ASN 42 Ca 0.01 -2.51 -0.31 0.00 -0.60 0.00 0.00 54.58 51.17 1u1z n ASN 42 Cb 0.33 -0.96 -0.08 0.00 -0.53 0.00 0.00 39.78 38.54 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 -0.54 2.61 0.62 1.20 2.02 -1.18 -5.04 118.70 118.39 1u1z s GLU 43 Ca 0.09 -0.77 0.38 0.00 0.02 0.00 0.00 54.97 54.69 1u1z s GLU 43 Cb 0.07 -2.57 2.04 0.00 0.10 0.00 0.00 34.13 33.77 1u1z s GLU 43 CO 0.00 0.57 2.26 -1.00 0.02 0.00 0.00 175.26 177.11 1u1z h PRO 44 N 3.77 0.00 0.00 0.39 0.13 -1.93 -3.01 132.00 131.35 1u1z h PRO 44 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1u1z h PRO 44 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1u1z h PRO 44 CO 0.59 0.02 -0.36 0.27 -0.23 0.00 0.00 178.00 178.28 1u1z h PHE 45 N 0.00 0.00 -0.55 1.56 -5.15 -1.96 -3.36 116.94 107.48 1u1z h PHE 45 Ca -0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1u1z h PHE 45 Cb 0.11 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.26 1u1z h PHE 45 CO 0.00 0.00 0.32 0.74 -2.00 0.00 0.00 178.31 177.37 1u1z h PHE 46 N 0.00 0.73 -0.38 6.09 0.05 -1.81 -1.49 116.94 120.13 1u1z h PHE 46 Ca 0.00 -0.01 0.11 0.00 3.82 0.00 0.00 57.97 61.89 1u1z h PHE 46 Cb 0.91 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.61 1u1z h PHE 46 CO 0.00 0.52 0.39 -0.91 -0.18 0.00 0.00 178.31 178.13 1u1z h ASN 47 N 0.74 0.00 -0.00 2.17 4.21 -1.78 -1.68 115.58 119.23 1u1z h ASN 47 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1u1z h ASN 47 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1u1z h ASN 47 CO -0.03 0.00 -0.67 0.61 -1.29 0.00 0.00 177.43 176.05 1u1z n GLY 48 N -1.49 -0.42 2.39 2.83 0.00 -0.72 -3.59 105.19 104.19 1u1z n GLY 48 Ca 0.07 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.92 -1.31 -4.24 1.61 -0.00 -0.63 -4.57 115.22 105.15 1u1z n HIS 49 Ca 0.05 -3.02 -0.14 0.00 -0.00 0.00 0.00 57.72 54.61 1u1z n HIS 49 Cb 0.32 0.30 -0.10 0.00 -0.00 0.00 0.00 29.99 30.51 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 -0.27 1.24 0.16 1.57 0.40 -0.26 -1.83 117.98 118.99 1u1z s PHE 50 Ca 0.33 -0.78 -0.32 0.00 -0.60 0.00 0.00 56.93 55.56 1u1z s PHE 50 Cb 0.11 -0.64 -0.12 0.00 0.51 0.00 0.00 43.02 42.88 1u1z s PHE 50 CO -0.15 0.06 1.75 -2.30 0.70 0.00 0.00 175.22 175.27 1u1z n PRO 51 N -0.19 2.64 -0.74 0.24 -0.02 -1.24 -1.02 135.00 134.68 1u1z n PRO 51 Ca -0.10 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1u1z n PRO 51 Cb 0.61 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1u1z n PRO 51 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1u1z n GLU 52 N 4.59 0.00 -2.96 -0.52 2.13 -1.26 -4.87 120.64 117.76 1u1z n GLU 52 Ca 0.17 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.87 1u1z n GLU 52 Cb 0.34 -2.44 -0.02 0.00 0.27 0.00 0.00 31.44 29.60 1u1z n GLU 52 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1u1z n HIS 53 N -2.00 -2.64 -1.95 4.31 8.25 -0.19 -5.12 115.22 115.89 1u1z n HIS 53 Ca 0.00 -2.17 -0.42 0.00 -0.26 0.00 0.00 57.72 54.87 1u1z n HIS 53 Cb 0.00 1.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.08 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 0.39 4.19 0.00 -0.41 0.04 -1.21 -1.10 135.00 136.90 1u1z s PRO 54 Ca 0.32 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1u1z s PRO 54 Cb 0.08 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1u1z s PRO 54 CO -0.14 -0.82 0.00 -0.89 0.04 0.00 0.00 177.00 175.20 1u1z n ILE 55 N 5.23 0.00 -4.60 0.56 5.41 -0.76 -4.63 119.36 120.57 1u1z n ILE 55 Ca 0.17 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.58 1u1z n ILE 55 Cb 0.42 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.23 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 3.75 3.17 0.29 0.38 0.02 -1.26 -4.55 135.00 136.79 1u1z s PRO 57 Ca 0.00 -0.57 -0.02 0.00 0.02 0.00 0.00 61.00 60.43 1u1z s PRO 57 Cb 0.00 -2.69 0.43 0.00 0.02 0.00 0.00 34.50 32.26 1u1z s PRO 57 CO 0.00 0.44 1.92 0.78 -0.33 0.00 0.00 177.00 179.80 1u1z h GLY 58 N 6.02 1.07 1.81 0.52 0.00 -2.00 -1.33 103.07 109.16 1u1z h GLY 58 Ca -0.38 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.50 1u1z h GLY 58 CO 0.56 0.45 0.07 -0.39 0.00 0.00 0.00 176.54 177.24 1u1z h VAL 59 N 1.00 0.69 0.00 4.60 -1.51 -2.01 0.34 116.25 119.35 1u1z h VAL 59 Ca 0.26 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.59 1u1z h VAL 59 Cb 0.02 0.95 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 1u1z h VAL 59 CO -0.04 0.00 -0.64 -0.07 -1.23 0.00 0.00 177.57 175.59 1u1z h LEU 60 N 0.00 0.00 -0.35 4.19 3.38 -1.67 -0.48 115.31 120.38 1u1z h LEU 60 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1u1z h LEU 60 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1u1z h LEU 60 CO -0.00 0.64 -0.14 0.40 0.09 0.00 0.00 178.44 179.43 1u1z h ILE 61 N 0.00 1.28 -0.13 1.22 2.04 -0.22 0.42 117.51 122.11 1u1z h ILE 61 Ca -0.01 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1u1z h ILE 61 Cb 1.30 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1u1z h ILE 61 CO 0.08 0.41 0.09 0.40 0.00 0.00 0.00 178.15 179.13 1u1z h ILE 62 N 0.51 1.04 -0.78 -0.67 2.04 -1.10 -2.28 117.51 116.27 1u1z h ILE 62 Ca 0.08 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 65.95 1u1z h ILE 62 Cb 0.67 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1u1z h ILE 62 CO 0.05 0.03 0.44 -0.08 0.00 0.00 0.00 178.15 178.59 1u1z h GLU 63 N 0.18 0.76 -1.17 2.37 4.57 -0.75 -0.43 114.58 120.10 1u1z h GLU 63 Ca 0.05 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1u1z h GLU 63 Cb -0.02 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1u1z h GLU 63 CO -0.01 0.50 0.00 0.00 -1.18 0.00 0.00 179.01 178.32 1u1z n ALA 64 N -2.37 1.53 0.00 2.92 0.00 0.14 -1.54 120.51 121.20 1u1z n ALA 64 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1u1z n ALA 64 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.71 0.00 0.10 0.00 0.00 -0.17 -1.74 120.51 119.41 1u1z n ALA 66 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1u1z n ALA 66 Cb 0.08 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.64 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 0.13 0.05 0.00 4.20 -1.53 0.94 115.11 118.90 1u1z h GLN 67 Ca 0.00 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1u1z h GLN 67 Cb 0.00 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1u1z h GLN 67 CO 0.00 0.74 -0.03 0.00 -0.67 0.00 0.00 178.83 178.88 1u1z h ALA 68 N 1.23 -0.07 -0.29 3.87 0.00 -1.60 -1.96 119.26 120.43 1u1z h ALA 68 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1u1z h ALA 68 Cb 1.19 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1u1z h ALA 68 CO 0.10 -0.38 0.09 0.00 0.00 0.00 0.00 179.25 179.05 1u1z h ALA 69 N 0.54 0.33 -0.78 0.00 0.00 -1.82 -2.39 119.26 115.13 1u1z h ALA 69 Ca -0.01 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.12 1u1z h ALA 69 Cb 0.35 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 1u1z h ALA 69 CO 0.01 -0.32 0.24 0.78 0.00 0.00 0.00 179.25 179.96 1u1z h GLY 70 N 0.21 1.16 0.96 0.00 0.00 -0.63 0.06 103.07 104.82 1u1z h GLY 70 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1u1z h GLY 70 CO -0.15 -0.21 0.30 -2.22 0.00 0.00 0.00 176.54 174.27 1u1z h ILE 71 N 0.32 1.09 -0.25 2.60 2.04 -0.84 -1.01 117.51 121.47 1u1z h ILE 71 Ca 0.45 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 66.13 1u1z h ILE 71 Cb 0.78 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1u1z h ILE 71 CO -0.51 0.11 0.07 0.25 0.00 0.00 0.00 178.15 178.07 1u1z h LEU 72 N 0.61 0.05 0.41 1.44 5.85 -0.88 -1.18 115.31 121.62 1u1z h LEU 72 Ca 0.18 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1u1z h LEU 72 Cb -0.04 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1u1z h LEU 72 CO -0.06 0.06 -0.32 1.23 -0.34 0.00 0.00 178.44 179.02 1u1z h GLY 73 N 0.17 -0.79 0.25 3.75 0.00 -0.61 -2.52 103.07 103.32 1u1z h GLY 73 Ca 0.11 0.36 0.18 0.00 0.00 0.00 0.00 47.33 47.98 1u1z h GLY 73 CO -0.14 -0.29 0.61 0.74 0.00 0.00 0.00 176.54 177.46 1u1z h PHE 74 N -0.72 0.92 0.00 5.60 0.04 -1.02 -2.91 116.94 118.85 1u1z h PHE 74 Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1u1z h PHE 74 Cb 0.62 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1u1z h PHE 74 CO -0.15 0.25 0.00 1.17 -0.60 0.00 0.00 178.31 178.98 1u1z n LYS 75 N -4.66 0.47 0.00 1.51 3.00 -0.46 -1.00 118.16 117.02 1u1z n LYS 75 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1u1z n LYS 75 Cb 0.57 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.33 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 1.67 0.00 -3.75 3.14 4.77 -1.10 -4.78 117.00 116.95 1u1z n LEU 77 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1u1z n LEU 77 Cb 0.23 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1u1z n LEU 77 CO 0.00 0.00 -0.14 -0.67 -1.33 0.00 0.00 177.39 175.25 1u1z n ASP 78 N 0.00 -5.12 -4.28 -1.43 4.64 -0.29 -4.92 116.55 105.16 1u1z n ASP 78 Ca 0.00 -0.94 -0.40 0.00 -1.38 0.00 0.00 54.79 52.07 1u1z n ASP 78 Cb 0.00 -2.33 -0.11 0.00 -1.04 0.00 0.00 41.12 37.65 1u1z n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1u1z s VAL 79 N -3.17 4.16 0.00 5.18 1.01 -0.17 -5.13 120.40 122.28 1u1z s VAL 79 Ca 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1u1z s VAL 79 Cb -0.08 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1u1z s VAL 79 CO 0.89 -0.41 0.00 0.29 0.00 0.00 0.00 175.10 175.87 1u1z n LYS 80 N 4.90 0.00 -0.57 2.72 5.02 -1.26 -4.82 118.16 124.15 1u1z n LYS 80 Ca -0.10 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.26 1u1z n LYS 80 Cb 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.43 1u1z n LYS 80 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1u1z n ASP 83 N 0.00 -6.57 0.00 4.39 2.03 -1.26 -4.98 116.55 110.16 1u1z n ASP 83 Ca 0.00 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.92 1u1z n ASP 83 Cb 0.00 -1.71 0.00 0.00 -0.72 0.00 0.00 41.12 38.69 1u1z n ASP 83 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u1z n GLY 84 N -1.69 0.02 0.02 0.27 0.00 -1.26 -5.09 105.19 97.46 1u1z n GLY 84 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1u1z n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u1z n THR 85 N -0.57 0.01 -4.58 2.61 -2.24 -1.26 -4.45 114.28 103.78 1u1z n THR 85 Ca 0.00 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1u1z n THR 85 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 1u1z n THR 85 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1u1z s LEU 86 N 0.02 2.27 -1.00 3.22 2.34 -1.19 -4.91 118.68 119.43 1u1z s LEU 86 Ca 0.00 -1.54 -0.20 0.00 0.06 0.00 0.00 54.13 52.45 1u1z s LEU 86 Cb -0.00 -0.48 0.10 0.00 -0.56 0.00 0.00 46.19 45.25 1u1z s LEU 86 CO 0.00 -0.75 1.29 -0.31 -1.06 0.00 0.00 176.35 175.53 1u1z s TYR 87 N -3.06 2.93 -0.32 3.48 1.51 -1.26 -3.03 117.35 117.60 1u1z s TYR 87 Ca 0.24 -1.27 -0.29 0.00 -1.01 0.00 0.00 57.07 54.74 1u1z s TYR 87 Cb 0.05 -4.45 -0.07 0.00 -0.11 0.00 0.00 41.96 37.38 1u1z s TYR 87 CO 0.12 -1.65 2.28 0.98 -1.11 0.00 0.00 175.55 176.17 1u1z n TYR 88 N 7.37 1.75 -1.54 2.71 9.36 -1.15 -4.61 117.16 131.06 1u1z n TYR 88 Ca 0.29 -0.00 -0.43 0.00 3.32 0.00 0.00 57.90 61.08 1u1z n TYR 88 Cb 0.49 -2.67 -0.05 0.00 -0.63 0.00 0.00 39.34 36.48 1u1z n TYR 88 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1u1z n PHE 89 N 12.44 1.64 0.50 2.98 7.35 -1.26 -1.61 117.46 139.49 1u1z n PHE 89 Ca 0.34 0.08 0.05 0.00 -0.76 0.00 0.00 57.45 57.16 1u1z n PHE 89 Cb 0.43 -2.63 -0.01 0.00 0.35 0.00 0.00 39.48 37.62 1u1z n PHE 89 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1u1z n VAL 90 N 7.67 0.00 -1.27 -2.13 0.24 0.30 -4.98 118.33 118.16 1u1z n VAL 90 Ca 0.37 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1u1z n VAL 90 Cb 0.39 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 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 0.99 -1.68 3.63 7.63 0.00 -1.06 -5.00 105.19 109.69 1u1z n GLY 91 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.48 -0.28 -0.00 1.61 0.15 -1.26 -1.83 113.70 110.62 1u1z s SER 92 Ca 0.00 0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.92 1u1z s SER 92 Cb 0.00 1.13 -0.34 0.00 -1.71 0.00 0.00 66.02 65.10 1u1z s SER 92 CO 0.00 -0.07 0.92 0.44 1.20 0.00 0.00 173.24 175.73 1u1z h ASP 93 N 5.68 0.73 -3.68 5.45 5.19 -2.00 -3.46 116.42 124.33 1u1z h ASP 93 Ca -0.26 -0.93 -0.28 0.00 -0.62 0.00 0.00 57.03 54.94 1u1z h ASP 93 Cb 1.17 -0.24 -0.30 0.00 0.18 0.00 0.00 39.33 40.14 1u1z h ASP 93 CO 0.21 1.66 -0.73 -0.75 -3.12 0.00 0.00 179.24 176.51 1u1z s LYS 94 N -2.56 0.11 -0.12 3.56 2.20 -1.26 -5.09 119.74 116.59 1u1z s LYS 94 Ca -0.11 0.02 -0.10 0.00 -0.36 0.00 0.00 55.97 55.42 1u1z s LYS 94 Cb 0.04 -0.19 0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1u1z s LYS 94 CO 0.91 -0.03 0.31 -1.17 -0.36 0.00 0.00 175.35 175.00 1u1z s LEU 95 N 0.33 0.67 0.01 5.43 2.96 -1.26 -2.86 118.68 123.96 1u1z s LEU 95 Ca -0.03 0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 54.44 1u1z s LEU 95 Cb -0.05 1.03 -0.00 0.00 0.50 0.00 0.00 46.19 47.67 1u1z s LEU 95 CO -0.01 -0.12 0.14 -0.13 -1.32 0.00 0.00 176.35 174.90 1u1z s ARG 96 N 0.47 0.52 0.13 1.98 3.00 -0.83 -5.03 118.95 119.19 1u1z s ARG 96 Ca -0.03 -0.47 0.11 0.00 0.00 0.00 0.00 55.73 55.34 1u1z s ARG 96 Cb -0.04 0.21 -0.04 0.00 0.00 0.00 0.00 34.95 35.08 1u1z s ARG 96 CO -0.02 -0.13 -0.27 -0.06 0.00 0.00 0.00 175.30 174.82 1u1z s PHE 97 N -1.67 2.30 0.00 -0.53 0.40 -1.26 -2.42 117.98 114.81 1u1z s PHE 97 Ca -0.13 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1u1z s PHE 97 Cb -0.06 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1u1z s PHE 97 CO 0.00 0.34 0.00 0.54 0.70 0.00 0.00 175.22 176.80 1u1z n ARG 98 N 0.91 0.00 -4.16 0.44 5.12 0.02 -4.98 116.66 114.01 1u1z n ARG 98 Ca -0.18 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.40 1u1z n ARG 98 Cb 0.53 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.75 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 0.00 3.04 0.75 5.56 -2.07 -1.26 -5.07 119.66 120.62 1u1z s GLN 99 Ca 0.00 -0.45 -0.14 0.00 -1.82 0.00 0.00 55.36 52.95 1u1z s GLN 99 Cb 0.00 -2.85 0.05 0.00 -1.09 0.00 0.00 33.01 29.12 1u1z s GLN 99 CO 0.00 0.67 1.18 -1.25 -1.32 0.00 0.00 175.29 174.57 1u1z s PRO 100 N -1.46 2.04 -0.03 9.60 0.04 -1.26 -4.79 135.00 139.14 1u1z s PRO 100 Ca 0.20 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.82 1u1z s PRO 100 Cb -0.12 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1u1z s PRO 100 CO 0.10 -1.89 0.24 0.08 0.04 0.00 0.00 177.00 175.57 1u1z s VAL 101 N -2.19 5.35 0.17 -0.36 1.01 -1.26 -5.10 120.40 118.02 1u1z s VAL 101 Ca 0.71 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.92 1u1z s VAL 101 Cb -0.26 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1u1z s VAL 101 CO 0.48 0.44 -0.07 -0.76 0.00 0.00 0.00 175.10 175.18 1u1z s LEU 102 N -1.55 2.43 0.26 3.92 1.43 -1.26 -4.61 118.68 119.30 1u1z s LEU 102 Ca 0.24 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 1u1z s LEU 102 Cb -0.13 -0.32 -0.14 0.00 0.03 0.00 0.00 46.19 45.64 1u1z s LEU 102 CO 0.13 -0.38 1.28 -2.65 0.23 0.00 0.00 176.35 174.95 1u1z n PRO 103 N -0.25 1.79 0.00 1.29 -0.02 -1.26 -1.05 135.00 135.50 1u1z n PRO 103 Ca -0.09 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1u1z n PRO 103 Cb 0.61 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.71 2.68 3.74 -1.23 0.00 0.70 -4.96 105.19 107.83 1u1z n GLY 104 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 0.27 3.91 -0.33 1.61 -0.00 -0.21 -4.84 116.67 117.07 1u1z s ASP 105 Ca 0.00 1.71 0.03 0.00 -0.00 0.00 0.00 52.55 54.29 1u1z s ASP 105 Cb 0.00 -2.38 0.10 0.00 -0.00 0.00 0.00 42.92 40.64 1u1z s ASP 105 CO 0.00 -2.40 0.05 -1.58 -0.00 0.00 0.00 175.17 171.24 1u1z s GLN 106 N -4.89 1.40 -0.30 8.23 0.74 -1.26 -1.86 119.66 121.72 1u1z s GLN 106 Ca 0.63 -1.73 -0.29 0.00 0.05 0.00 0.00 55.36 54.01 1u1z s GLN 106 Cb -0.18 -3.02 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 1u1z s GLN 106 CO 0.57 -0.93 1.58 -1.17 -0.55 0.00 0.00 175.29 174.79 1u1z s LEU 107 N 1.02 3.72 -0.19 3.68 2.96 -0.15 -4.58 118.68 125.14 1u1z s LEU 107 Ca 0.10 1.31 -0.22 0.00 -0.22 0.00 0.00 54.13 55.10 1u1z s LEU 107 Cb -0.19 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1u1z s LEU 107 CO -0.10 -1.39 0.69 -1.10 -1.32 0.00 0.00 176.35 173.12 1u1z s GLN 108 N 4.93 4.24 -0.14 1.98 -0.21 0.14 -1.04 119.66 129.56 1u1z s GLN 108 Ca 0.70 0.74 -0.03 0.00 0.02 0.00 0.00 55.36 56.79 1u1z s GLN 108 Cb -0.21 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.20 1u1z s GLN 108 CO 0.30 -0.26 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.65 1u1z s LEU 109 N 1.97 3.18 -0.08 2.90 1.43 0.21 -0.47 118.68 127.83 1u1z s LEU 109 Ca 0.32 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1u1z s LEU 109 Cb -0.16 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1u1z s LEU 109 CO 0.11 0.19 -0.13 -1.00 0.23 0.00 0.00 176.35 175.76 1u1z s HIS 110 N 0.20 1.57 -0.04 0.29 3.76 0.46 -1.27 115.29 120.26 1u1z s HIS 110 Ca -0.03 -0.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 1u1z s HIS 110 Cb -0.14 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.42 1u1z s HIS 110 CO 0.03 -0.33 -0.05 0.00 -0.85 0.00 0.00 174.74 173.55 1u1z s ALA 111 N 0.78 0.67 -0.19 -1.40 0.00 -0.90 -0.83 121.76 119.89 1u1z s ALA 111 Ca -0.12 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1u1z s ALA 111 Cb -0.16 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.60 1u1z s ALA 111 CO 0.02 0.01 -0.11 0.21 0.00 0.00 0.00 175.76 175.89 1u1z s LYS 112 N 0.85 2.09 0.31 0.00 2.20 -0.34 -0.57 119.74 124.28 1u1z s LYS 112 Ca -0.12 -0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 54.42 1u1z s LYS 112 Cb -0.14 -2.34 -0.12 0.00 -1.51 0.00 0.00 37.83 33.71 1u1z s LYS 112 CO 0.00 -0.38 1.47 0.34 -0.36 0.00 0.00 175.35 176.42 1u1z n PHE 113 N 4.70 2.63 0.00 4.03 7.35 0.10 -1.52 117.46 134.75 1u1z n PHE 113 Ca -0.15 0.40 -0.03 0.00 -0.76 0.00 0.00 57.45 56.91 1u1z n PHE 113 Cb 0.47 -2.52 -0.01 0.00 0.35 0.00 0.00 39.48 37.78 1u1z n PHE 113 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1u1z n ILE 114 N 1.29 1.30 -3.69 -2.13 5.41 -0.98 -4.89 119.36 115.67 1u1z n ILE 114 Ca 0.07 0.31 -0.04 0.00 1.00 0.00 0.00 62.75 64.08 1u1z n ILE 114 Cb 0.36 -1.84 0.02 0.00 -0.71 0.00 0.00 39.64 37.47 1u1z n ILE 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1u1z n SER 115 N -3.80 -1.52 -3.15 4.38 3.41 -1.21 -5.04 113.62 106.69 1u1z n SER 115 Ca -0.05 -1.94 0.04 0.00 -0.26 0.00 0.00 58.87 56.67 1u1z n SER 115 Cb 0.18 2.50 -0.00 0.00 -0.26 0.00 0.00 64.21 66.63 1u1z n SER 115 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1u1z s VAL 116 N -2.25 -0.97 -0.20 -3.33 0.11 -1.26 -2.48 120.40 110.02 1u1z s VAL 116 Ca 0.15 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1u1z s VAL 116 Cb -0.03 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1u1z s VAL 116 CO 0.07 0.00 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.16 1u1z s LYS 117 N 2.84 3.00 -0.44 1.54 3.01 -0.94 -4.58 119.74 124.18 1u1z s LYS 117 Ca 0.13 -0.84 0.00 0.00 -1.01 0.00 0.00 55.97 54.25 1u1z s LYS 117 Cb -0.11 -2.75 0.00 0.00 -1.01 0.00 0.00 37.83 33.96 1u1z s LYS 117 CO -0.24 -0.26 0.00 -2.13 0.51 0.00 0.00 175.35 173.22 1u1z n ARG 118 N 4.65 -0.29 -1.35 1.68 0.00 -1.26 -2.53 116.66 117.55 1u1z n ARG 118 Ca -0.19 0.61 -0.05 0.00 -0.00 0.00 0.00 57.85 58.22 1u1z n ARG 118 Cb 0.49 -4.30 -0.02 0.00 0.00 0.00 0.00 32.46 28.64 1u1z n ARG 118 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1u1z n SER 119 N 1.32 -3.27 -4.36 6.15 3.41 -1.26 -5.01 113.62 110.60 1u1z n SER 119 Ca -0.04 0.09 -0.39 0.00 -0.26 0.00 0.00 58.87 58.27 1u1z n SER 119 Cb 0.17 -1.51 -0.12 0.00 -0.26 0.00 0.00 64.21 62.48 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 -2.19 4.26 0.07 -1.33 -1.09 -1.05 -3.06 121.20 116.80 1u1z s ILE 120 Ca 0.00 -0.80 -0.14 0.00 -2.23 0.00 0.00 60.65 57.48 1u1z s ILE 120 Cb 0.00 -3.30 -0.06 0.00 -1.58 0.00 0.00 42.46 37.52 1u1z s ILE 120 CO 0.00 -0.09 0.47 0.26 -1.23 0.00 0.00 174.94 174.35 1u1z s TRP 121 N 1.52 3.67 -0.06 3.97 0.52 0.18 -2.21 118.94 126.53 1u1z s TRP 121 Ca 0.02 1.00 0.04 0.00 0.02 0.00 0.00 56.10 57.18 1u1z s TRP 121 Cb -0.18 -2.31 0.00 0.00 -1.15 0.00 0.00 33.47 29.83 1u1z s TRP 121 CO 0.05 0.54 -0.18 0.15 0.02 0.00 0.00 176.95 177.53 1u1z s LYS 122 N -1.55 2.10 0.13 4.98 1.02 -1.03 -0.54 119.74 124.85 1u1z s LYS 122 Ca 0.31 -0.64 0.06 0.00 0.02 0.00 0.00 55.97 55.72 1u1z s LYS 122 Cb -0.16 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1u1z s LYS 122 CO 0.17 0.18 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.58 1u1z s PHE 123 N 0.26 1.44 -0.33 3.18 0.40 0.13 -2.32 117.98 120.74 1u1z s PHE 123 Ca -0.10 -0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 55.63 1u1z s PHE 123 Cb -0.14 -0.74 0.06 0.00 0.51 0.00 0.00 43.02 42.71 1u1z s PHE 123 CO 0.04 0.17 0.07 0.34 0.70 0.00 0.00 175.22 176.54 1u1z s ASP 124 N -2.60 5.07 0.11 1.36 2.15 -0.58 -1.02 116.67 121.16 1u1z s ASP 124 Ca 0.11 -1.40 0.08 0.00 0.43 0.00 0.00 52.55 51.77 1u1z s ASP 124 Cb -0.04 -1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 40.77 1u1z s ASP 124 CO 0.03 -0.34 -0.16 0.00 -0.17 0.00 0.00 175.17 174.53 1u1z s HIS 126 N -1.15 0.11 0.01 0.00 3.76 -0.01 -1.18 115.29 116.83 1u1z s HIS 126 Ca 0.18 -0.23 0.07 0.00 -0.15 0.00 0.00 55.06 54.93 1u1z s HIS 126 Cb -0.11 -0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.47 1u1z s HIS 126 CO 0.11 -0.14 -0.20 0.00 -0.85 0.00 0.00 174.74 173.65 1u1z s ALA 127 N -0.89 1.68 0.03 -1.40 0.00 0.20 -0.40 121.76 120.98 1u1z s ALA 127 Ca -0.10 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 1u1z s ALA 127 Cb -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1u1z s ALA 127 CO -0.00 0.40 0.19 0.95 0.00 0.00 0.00 175.76 177.29 1u1z s THR 128 N -0.61 0.11 -0.06 0.00 -4.23 0.38 -1.37 115.64 109.86 1u1z s THR 128 Ca 0.07 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1u1z s THR 128 Cb -0.08 -0.86 0.01 0.00 1.34 0.00 0.00 72.50 72.91 1u1z s THR 128 CO 0.00 -0.48 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.77 1u1z s VAL 129 N -2.43 1.28 -1.69 2.29 1.01 -0.51 0.28 120.40 120.63 1u1z s VAL 129 Ca -0.06 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1u1z s VAL 129 Cb -0.02 -1.14 0.15 0.00 0.00 0.00 0.00 36.38 35.37 1u1z s VAL 129 CO -0.03 0.38 0.75 0.47 0.00 0.00 0.00 175.10 176.67 1u1z n ASP 130 N 3.60 -3.02 0.00 3.32 8.00 -1.26 -0.10 116.55 127.09 1u1z n ASP 130 Ca -0.21 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1u1z n ASP 130 Cb 0.52 -2.75 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 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 -2.68 0.00 -4.78 -2.24 8.00 -1.26 -4.96 116.55 108.63 1u1z n ASP 131 Ca 0.04 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.15 1u1z n ASP 131 Cb 0.51 -1.35 -0.06 0.00 -0.02 0.00 0.00 41.12 40.19 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 -0.32 4.44 0.23 -1.24 3.01 0.86 -5.02 119.74 121.70 1u1z s LYS 132 Ca 0.00 1.01 -0.30 0.00 -1.01 0.00 0.00 55.97 55.67 1u1z s LYS 132 Cb 0.00 -3.26 -0.09 0.00 -1.01 0.00 0.00 37.83 33.46 1u1z s LYS 132 CO 0.00 0.57 1.35 -1.25 0.51 0.00 0.00 175.35 176.53 1u1z s PRO 133 N -1.03 4.35 -0.05 -1.68 0.04 -1.26 -1.42 135.00 133.94 1u1z s PRO 133 Ca 0.34 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.54 1u1z s PRO 133 Cb -0.22 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1u1z s PRO 133 CO 0.23 -0.30 -0.03 0.28 0.04 0.00 0.00 177.00 177.22 1u1z n VAL 134 N 2.30 0.30 -3.57 -0.36 0.31 -0.47 -4.22 118.33 112.62 1u1z n VAL 134 Ca 0.06 -0.13 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 1u1z n VAL 134 Cb 0.42 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.56 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 -0.99 -0.09 -0.23 0.00 1.04 -1.01 0.60 113.70 113.01 1u1z s SER 136 Ca -0.10 0.04 -0.33 0.00 0.48 0.00 0.00 55.95 56.05 1u1z s SER 136 Cb -0.01 0.30 0.16 0.00 0.10 0.00 0.00 66.02 66.56 1u1z s SER 136 CO 0.08 -0.29 1.25 0.00 0.98 0.00 0.00 173.24 175.26 1u1z s ALA 137 N -0.90 -2.08 -0.40 5.32 0.00 -0.33 -1.97 121.76 121.40 1u1z s ALA 137 Ca -0.10 1.74 -0.15 0.00 0.00 0.00 0.00 51.96 53.45 1u1z s ALA 137 Cb -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1u1z s ALA 137 CO 0.02 -0.42 0.33 -2.00 0.00 0.00 0.00 175.76 173.69 1u1z s GLU 138 N -1.67 3.10 -0.02 0.00 2.12 -1.13 -1.08 118.70 120.01 1u1z s GLU 138 Ca 0.08 -0.88 -0.19 0.00 0.36 0.00 0.00 54.97 54.34 1u1z s GLU 138 Cb -0.01 -3.94 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 1u1z s GLU 138 CO -0.05 -0.72 0.55 0.42 -0.54 0.00 0.00 175.26 174.93 1u1z s ILE 139 N 1.80 4.97 -0.20 -3.70 -1.09 -0.19 -4.12 121.20 118.68 1u1z s ILE 139 Ca 0.07 1.15 -0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1u1z s ILE 139 Cb -0.18 -3.89 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1u1z s ILE 139 CO 0.11 0.42 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.47 1u1z s ILE 140 N -0.15 2.54 0.18 2.92 1.01 -0.76 0.18 121.20 127.12 1u1z s ILE 140 Ca 0.29 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 60.20 1u1z s ILE 140 Cb -0.17 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1u1z s ILE 140 CO 0.16 0.44 -0.23 0.00 0.00 0.00 0.00 174.94 175.31 1u1z s ALA 142 N -1.70 0.96 0.20 0.00 0.00 -0.64 0.50 121.76 121.09 1u1z s ALA 142 Ca 0.19 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 1u1z s ALA 142 Cb -0.08 -1.11 -0.15 0.00 0.00 0.00 0.00 23.12 21.78 1u1z s ALA 142 CO 0.09 -1.05 1.05 -1.91 0.00 0.00 0.00 175.76 173.95 1u1z n GLU 143 N 5.06 1.08 -3.52 0.00 2.13 -1.17 -2.91 120.64 121.30 1u1z n GLU 143 Ca -0.09 0.38 -0.13 0.00 0.66 0.00 0.00 57.16 57.98 1u1z n GLU 143 Cb 0.48 -1.79 -0.05 0.00 0.27 0.00 0.00 31.44 30.35 1u1z n GLU 143 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1z s ARG 144 N -0.77 0.89 -0.19 5.31 0.52 -1.17 -4.91 118.95 118.64 1u1z s ARG 144 Ca 0.68 0.05 -0.17 0.00 -0.52 0.00 0.00 55.73 55.77 1u1z s ARG 144 Cb -0.83 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.03 1u1z s ARG 144 CO 0.55 -0.31 0.45 0.21 0.02 0.00 0.00 175.30 176.22 1u1z s LYS 145 N -1.77 4.21 -0.20 3.54 2.20 -1.26 -3.18 119.74 123.28 1u1z s LYS 145 Ca -0.04 0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.59 1u1z s LYS 145 Cb -0.00 -3.53 -0.07 0.00 -1.51 0.00 0.00 37.83 32.72 1u1z s LYS 145 CO 0.01 -0.04 2.18 1.28 -0.36 0.00 0.00 175.35 178.42 1u1z n LEU 146 N 4.44 3.24 0.00 5.43 4.77 -1.26 -1.49 117.00 132.12 1u1z n LEU 146 Ca -0.07 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1u1z n LEU 146 Cb 0.51 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1u1z n LEU 146 CO 0.41 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 1u1z n GLY 147 N 5.67 1.13 0.00 -0.72 0.00 -1.26 -4.97 105.19 105.04 1u1z n GLY 147 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1u1z n GLY 147 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06