#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4h h GLY 3 N 0.00 1.61 0.68 3.14 0.00 -1.36 -2.07 103.07 105.07 1u4h h GLY 3 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.02 1u4h h GLY 3 CO 0.00 0.06 0.53 -0.84 0.00 0.00 0.00 176.54 176.29 1u4h h THR 4 N 0.85 1.01 -0.37 4.70 2.02 -1.79 -1.20 112.91 118.13 1u4h h THR 4 Ca 0.52 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 67.24 1u4h h THR 4 Cb 0.70 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1u4h h THR 4 CO -0.30 0.17 -0.33 0.40 0.37 0.00 0.00 175.52 175.83 1u4h h ILE 5 N 0.94 1.28 -0.33 3.11 1.08 -1.79 -2.20 117.51 119.61 1u4h h ILE 5 Ca 0.38 -1.49 -0.04 0.00 -0.39 0.00 0.00 64.86 63.32 1u4h h ILE 5 Cb 0.22 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1u4h h ILE 5 CO -0.19 0.50 0.03 0.58 -0.69 0.00 0.00 178.15 178.37 1u4h h VAL 6 N 0.69 1.18 -0.81 1.67 2.07 -1.21 -1.00 116.25 118.84 1u4h h VAL 6 Ca 0.07 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1u4h h VAL 6 Cb 0.89 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1u4h h VAL 6 CO 0.08 0.24 0.43 1.23 0.02 0.00 0.00 177.57 179.57 1u4h h GLY 7 N 0.78 1.22 1.21 2.17 0.00 -0.69 -0.22 103.07 107.53 1u4h h GLY 7 Ca 0.11 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 1u4h h GLY 7 CO 0.00 0.55 -0.05 -0.91 0.00 0.00 0.00 176.54 176.13 1u4h h THR 8 N 1.13 1.26 -0.88 4.70 1.35 -0.68 -2.64 112.91 117.15 1u4h h THR 8 Ca 0.28 -1.16 -0.02 0.00 -0.55 0.00 0.00 66.41 64.96 1u4h h THR 8 Cb 0.06 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 67.34 1u4h h THR 8 CO -0.04 0.41 0.47 -0.50 -0.25 0.00 0.00 175.52 175.60 1u4h h TRP 9 N 0.86 1.23 -0.59 4.73 6.55 -0.41 0.22 115.95 128.54 1u4h h TRP 9 Ca 0.15 -0.04 -0.06 0.00 0.95 0.00 0.00 58.89 59.89 1u4h h TRP 9 Cb 0.57 -0.39 -0.02 0.00 -0.86 0.00 0.00 29.16 28.46 1u4h h TRP 9 CO 0.04 0.86 0.14 0.82 -1.05 0.00 0.00 178.44 179.25 1u4h h ILE 10 N 1.24 1.25 -0.33 1.49 2.04 -0.88 0.47 117.51 122.79 1u4h h ILE 10 Ca 0.31 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1u4h h ILE 10 Cb 0.06 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1u4h h ILE 10 CO -0.05 0.34 0.05 0.50 0.00 0.00 0.00 178.15 179.00 1u4h h LYS 11 N 0.86 0.55 -0.84 2.37 3.64 -1.11 -1.82 116.57 120.22 1u4h h LYS 11 Ca 0.19 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1u4h h LYS 11 Cb 0.36 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1u4h h LYS 11 CO 0.00 0.63 0.51 1.15 -2.27 0.00 0.00 179.45 179.48 1u4h h THR 12 N 0.37 1.23 -0.75 1.00 2.02 -0.72 -0.96 112.91 115.10 1u4h h THR 12 Ca 0.10 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1u4h h THR 12 Cb 0.35 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1u4h h THR 12 CO 0.01 0.24 0.33 -0.07 0.37 0.00 0.00 175.52 176.40 1u4h h LEU 13 N 1.15 1.00 -0.68 2.58 4.07 -0.73 -0.66 115.31 122.03 1u4h h LEU 13 Ca 0.30 -0.15 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 1u4h h LEU 13 Cb -0.06 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.40 1u4h h LEU 13 CO -0.06 0.87 -0.10 0.03 -1.08 0.00 0.00 178.44 178.10 1u4h h ARG 14 N 1.06 0.92 -0.09 1.13 3.08 -0.55 0.28 114.38 120.20 1u4h h ARG 14 Ca 0.25 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1u4h h ARG 14 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1u4h h ARG 14 CO -0.03 0.97 -0.42 -0.44 -1.07 0.00 0.00 179.97 178.99 1u4h h ASP 15 N 0.82 0.22 0.10 7.04 3.32 -0.83 -1.16 116.42 125.94 1u4h h ASP 15 Ca 0.13 -0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.82 1u4h h ASP 15 Cb 0.63 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1u4h h ASP 15 CO 0.04 0.62 -1.43 -0.07 -1.72 0.00 0.00 179.24 176.68 1u4h h LEU 16 N 0.17 0.34 -0.41 1.55 3.38 -0.93 -3.43 115.31 115.99 1u4h h LEU 16 Ca 0.01 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1u4h h LEU 16 Cb 0.82 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1u4h h LEU 16 CO 0.06 1.62 -0.11 -1.22 0.09 0.00 0.00 178.44 178.88 1u4h n TYR 17 N -3.94 0.00 0.00 1.13 4.02 0.97 -5.09 117.16 114.25 1u4h n TYR 17 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 1u4h n TYR 17 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 1u4h n TYR 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u4h n GLY 18 N 0.79 1.95 0.21 2.72 0.00 -0.44 -4.56 105.19 105.86 1u4h n GLY 18 Ca 0.01 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1u4h n GLY 18 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u4h h ASN 19 N 0.00 0.20 -0.16 1.61 4.21 -1.90 -2.98 115.58 116.55 1u4h h ASN 19 Ca 0.00 -0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.41 1u4h h ASN 19 Cb 0.00 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 1u4h h ASN 19 CO 0.00 0.50 -0.02 -0.78 -1.29 0.00 0.00 177.43 175.84 1u4h h ASP 20 N 0.18 0.30 -0.52 5.81 1.82 -1.97 0.12 116.42 122.16 1u4h h ASP 20 Ca 0.03 -0.34 0.02 0.00 -0.39 0.00 0.00 57.03 56.35 1u4h h ASP 20 Cb 0.63 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 1u4h h ASP 20 CO 0.05 0.57 0.32 0.58 -1.61 0.00 0.00 179.24 179.14 1u4h h VAL 21 N 0.03 1.07 -0.09 2.25 2.07 -1.80 -1.41 116.25 118.37 1u4h h VAL 21 Ca 0.04 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1u4h h VAL 21 Cb 0.42 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1u4h h VAL 21 CO 0.01 0.12 -0.07 0.58 0.02 0.00 0.00 177.57 178.23 1u4h h VAL 22 N 0.64 1.35 -0.60 2.57 2.07 -1.44 -0.95 116.25 119.89 1u4h h VAL 22 Ca 0.20 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1u4h h VAL 22 Cb -0.00 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1u4h h VAL 22 CO -0.08 0.33 0.31 0.44 0.02 0.00 0.00 177.57 178.59 1u4h h ASP 23 N -0.20 0.44 -0.62 0.57 3.32 -0.70 0.17 116.42 119.39 1u4h h ASP 23 Ca 0.02 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1u4h h ASP 23 Cb 0.57 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1u4h h ASP 23 CO 0.02 0.29 0.25 -0.33 -1.72 0.00 0.00 179.24 177.75 1u4h h GLU 24 N 0.58 0.93 -0.71 3.56 4.39 -1.24 -0.51 114.58 121.58 1u4h h GLU 24 Ca 0.27 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1u4h h GLU 24 Cb 0.19 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1u4h h GLU 24 CO -0.19 0.78 0.26 0.77 -1.16 0.00 0.00 179.01 179.47 1u4h h SER 25 N 0.87 1.00 -0.54 1.42 0.02 -0.37 -0.81 113.55 115.13 1u4h h SER 25 Ca 0.21 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1u4h h SER 25 Cb 0.20 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1u4h h SER 25 CO -0.02 0.92 0.05 -0.07 -1.14 0.00 0.00 176.83 176.57 1u4h h LEU 26 N 1.03 0.90 -1.05 5.07 4.07 -0.29 -2.74 115.31 122.30 1u4h h LEU 26 Ca 0.23 -0.28 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 1u4h h LEU 26 Cb 0.25 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1u4h h LEU 26 CO -0.01 0.95 -0.34 0.11 -1.08 0.00 0.00 178.44 178.07 1u4h h LYS 27 N 0.81 0.24 0.00 1.13 1.57 -0.90 -1.85 116.57 117.57 1u4h h LYS 27 Ca 0.16 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1u4h h LYS 27 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1u4h h LYS 27 CO 0.02 0.56 0.01 0.66 -0.57 0.00 0.00 179.45 180.12 1u4h h SER 28 N 0.21 0.00 -0.37 0.86 4.64 -0.82 0.72 113.55 118.78 1u4h h SER 28 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1u4h h SER 28 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1u4h h SER 28 CO 0.05 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 1u4h n VAL 29 N -2.97 1.15 -0.77 0.95 0.24 -0.97 -4.97 118.33 110.99 1u4h n VAL 29 Ca -0.03 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 1u4h n VAL 29 Cb 0.07 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1u4h n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u4h n GLY 30 N 0.48 0.55 3.97 7.63 0.00 0.24 -5.07 105.19 113.00 1u4h n GLY 30 Ca 0.14 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1u4h n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1u4h s TRP 31 N -2.00 3.34 0.07 1.61 0.52 -0.74 -5.00 118.94 116.74 1u4h s TRP 31 Ca 0.00 0.01 -0.28 0.00 0.02 0.00 0.00 56.10 55.84 1u4h s TRP 31 Cb 0.00 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.44 1u4h s TRP 31 CO 0.00 0.17 0.90 -1.21 0.02 0.00 0.00 176.95 176.84 1u4h s GLU 32 N -4.15 4.61 0.44 4.98 0.41 -1.26 -3.86 118.70 119.87 1u4h s GLU 32 Ca 0.40 1.32 0.21 0.00 -0.41 0.00 0.00 54.97 56.49 1u4h s GLU 32 Cb -0.09 -3.39 1.18 0.00 -1.78 0.00 0.00 34.13 30.05 1u4h s GLU 32 CO 0.32 0.18 1.85 -1.35 -0.49 0.00 0.00 175.26 175.76 1u4h h PRO 33 N 5.87 0.30 -0.64 0.39 0.11 -1.90 0.10 132.00 136.23 1u4h h PRO 33 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1u4h h PRO 33 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1u4h h PRO 33 CO 0.72 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 1u4h n ASP 34 N -4.47 5.04 -4.66 -2.05 5.75 -1.26 -4.87 116.55 110.03 1u4h n ASP 34 Ca 0.20 -2.78 -0.45 0.00 -0.01 0.00 0.00 54.79 51.75 1u4h n ASP 34 Cb 0.80 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 1u4h n ASP 34 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1u4h n ARG 35 N 0.57 1.97 -3.68 0.11 0.63 0.02 -4.96 116.66 111.32 1u4h n ARG 35 Ca 0.24 0.70 -0.38 0.00 -0.92 0.00 0.00 57.85 57.49 1u4h n ARG 35 Cb 1.05 -2.36 -0.12 0.00 0.45 0.00 0.00 32.46 31.48 1u4h n ARG 35 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1u4h s VAL 36 N 0.07 4.36 -0.12 5.15 0.11 -1.26 -5.06 120.40 123.65 1u4h s VAL 36 Ca 0.70 -0.61 -0.24 0.00 -2.93 0.00 0.00 61.98 58.90 1u4h s VAL 36 Cb -0.67 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 30.87 1u4h s VAL 36 CO 0.48 0.01 0.76 -0.63 -3.33 0.00 0.00 175.10 172.39 1u4h s ILE 37 N 1.56 4.97 0.46 7.04 1.01 -1.26 -5.05 121.20 129.92 1u4h s ILE 37 Ca 0.03 1.52 -0.04 0.00 0.00 0.00 0.00 60.65 62.16 1u4h s ILE 37 Cb -0.18 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1u4h s ILE 37 CO 0.05 0.14 0.75 0.42 0.00 0.00 0.00 174.94 176.29 1u4h s THR 38 N 1.50 4.86 -0.22 2.92 -4.23 -1.26 -4.74 115.64 114.47 1u4h s THR 38 Ca 0.38 0.05 0.22 0.00 -1.18 0.00 0.00 61.69 61.16 1u4h s THR 38 Cb -0.17 -3.84 0.22 0.00 1.34 0.00 0.00 72.50 70.05 1u4h s THR 38 CO 0.15 -0.77 1.67 -2.65 -0.54 0.00 0.00 174.62 172.49 1u4h n PRO 39 N -2.19 0.15 0.03 3.99 -0.02 -1.26 -1.76 135.00 133.95 1u4h n PRO 39 Ca -0.00 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1u4h n PRO 39 Cb 0.55 -1.96 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 1u4h n PRO 39 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1u4h n LEU 40 N -2.27 0.37 -4.79 2.45 -0.00 -1.26 -4.83 117.00 106.67 1u4h n LEU 40 Ca -0.01 0.14 -0.33 0.00 -0.00 0.00 0.00 56.01 55.81 1u4h n LEU 40 Cb 0.06 -0.01 -0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1u4h n LEU 40 CO 0.11 -0.06 0.73 -1.61 -0.00 0.00 0.00 177.39 176.56 1u4h s GLU 41 N -3.41 3.45 -0.06 1.47 2.02 -0.72 -4.96 118.70 116.49 1u4h s GLU 41 Ca -0.05 1.33 -0.00 0.00 0.02 0.00 0.00 54.97 56.27 1u4h s GLU 41 Cb 0.12 -2.04 0.03 0.00 0.10 0.00 0.00 34.13 32.33 1u4h s GLU 41 CO 0.86 -0.72 -0.02 -0.51 0.02 0.00 0.00 175.26 174.89 1u4h s ASP 42 N -2.36 1.34 -0.12 -0.19 -0.00 -1.26 -1.05 116.67 113.03 1u4h s ASP 42 Ca 0.66 -0.11 -0.14 0.00 -0.00 0.00 0.00 52.55 52.97 1u4h s ASP 42 Cb -0.17 -0.46 -0.05 0.00 -0.00 0.00 0.00 42.92 42.24 1u4h s ASP 42 CO 0.30 -0.13 0.32 -0.63 -0.00 0.00 0.00 175.17 175.02 1u4h s ILE 43 N 1.52 5.26 0.30 0.77 1.09 -1.26 -4.87 121.20 124.02 1u4h s ILE 43 Ca -0.02 0.61 -0.30 0.00 -1.10 0.00 0.00 60.65 59.84 1u4h s ILE 43 Cb -0.13 -3.64 -0.11 0.00 -1.06 0.00 0.00 42.46 37.52 1u4h s ILE 43 CO -0.03 0.45 1.54 -0.62 -0.10 0.00 0.00 174.94 176.18 1u4h s ASP 44 N -0.02 6.42 0.55 3.58 2.15 -1.26 -4.72 116.67 123.36 1u4h s ASP 44 Ca 0.19 2.92 0.27 0.00 0.43 0.00 0.00 52.55 56.35 1u4h s ASP 44 Cb -0.14 -2.64 1.44 0.00 -0.30 0.00 0.00 42.92 41.29 1u4h s ASP 44 CO 0.06 -0.86 1.98 0.44 -0.17 0.00 0.00 175.17 176.63 1u4h h ASP 45 N 4.50 0.00 0.45 -0.34 3.45 -2.00 -1.53 116.42 120.96 1u4h h ASP 45 Ca -0.48 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 56.85 1u4h h ASP 45 Cb 1.22 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.98 1u4h h ASP 45 CO 0.76 0.00 -0.60 -0.78 -1.57 0.00 0.00 179.24 177.05 1u4h h ASP 46 N 0.00 0.16 -0.13 6.45 1.82 -1.99 -1.47 116.42 121.26 1u4h h ASP 46 Ca 0.25 -0.09 -0.14 0.00 -0.39 0.00 0.00 57.03 56.65 1u4h h ASP 46 Cb 1.05 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 1u4h h ASP 46 CO -0.00 0.73 -0.39 -0.33 -1.61 0.00 0.00 179.24 177.63 1u4h h GLU 47 N 0.11 0.66 -0.50 0.28 5.08 -1.65 -1.37 114.58 117.18 1u4h h GLU 47 Ca -0.01 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1u4h h GLU 47 Cb 1.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1u4h h GLU 47 CO 0.09 0.94 0.08 0.28 -1.00 0.00 0.00 179.01 179.39 1u4h h VAL 48 N 0.54 1.25 -0.41 3.13 2.07 -1.39 -0.69 116.25 120.74 1u4h h VAL 48 Ca 0.05 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1u4h h VAL 48 Cb 0.91 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1u4h h VAL 48 CO 0.08 0.33 0.24 -0.09 0.02 0.00 0.00 177.57 178.16 1u4h h ARG 49 N 0.70 0.48 -0.74 1.57 2.43 -1.04 -0.57 114.38 117.21 1u4h h ARG 49 Ca 0.15 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1u4h h ARG 49 Cb 0.40 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1u4h h ARG 49 CO 0.01 0.31 0.25 0.00 -1.51 0.00 0.00 179.97 179.03 1u4h h ARG 50 N 0.49 1.14 0.07 0.20 3.08 -1.02 0.19 114.38 118.54 1u4h h ARG 50 Ca 0.16 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1u4h h ARG 50 Cb 0.01 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1u4h h ARG 50 CO -0.08 0.96 -0.04 0.82 -1.07 0.00 0.00 179.97 180.57 1u4h h ILE 51 N 1.09 0.98 0.00 2.04 2.04 -0.75 -1.52 117.51 121.39 1u4h h ILE 51 Ca 0.24 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1u4h h ILE 51 Cb 0.29 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1u4h h ILE 51 CO -0.01 0.05 -0.11 -0.26 0.00 0.00 0.00 178.15 177.82 1u4h h PHE 52 N -0.19 0.00 -0.23 1.37 -1.00 -0.90 -1.77 116.94 114.23 1u4h h PHE 52 Ca -0.01 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.62 1u4h h PHE 52 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1u4h h PHE 52 CO -0.05 0.11 -0.44 0.00 -1.61 0.00 0.00 178.31 176.33 1u4h h ALA 53 N 1.89 0.36 -0.55 2.45 0.00 -0.47 -1.72 119.26 121.21 1u4h h ALA 53 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1u4h h ALA 53 Cb 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1u4h h ALA 53 CO 0.01 0.49 0.15 -0.22 0.00 0.00 0.00 179.25 179.68 1u4h h LYS 54 N 0.41 0.87 -0.96 0.00 1.63 -0.67 0.35 116.57 118.21 1u4h h LYS 54 Ca 0.01 -0.20 0.04 0.00 -0.85 0.00 0.00 60.65 59.65 1u4h h LYS 54 Cb 1.04 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.50 1u4h h LYS 54 CO 0.10 0.81 0.62 0.28 -3.45 0.00 0.00 179.45 177.81 1u4h h VAL 55 N 0.78 1.15 -0.65 2.00 2.07 -1.29 0.92 116.25 121.21 1u4h h VAL 55 Ca 0.17 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1u4h h VAL 55 Cb 0.32 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 1u4h h VAL 55 CO -0.00 0.22 0.31 -1.28 0.02 0.00 0.00 177.57 176.84 1u4h h SER 56 N 1.20 0.86 0.14 0.57 0.87 -0.65 -0.63 113.55 115.91 1u4h h SER 56 Ca 0.39 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1u4h h SER 56 Cb 0.03 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1u4h h SER 56 CO -0.13 0.76 -0.07 -0.08 -0.53 0.00 0.00 176.83 176.78 1u4h h GLU 57 N 0.91 -0.18 -0.22 2.24 4.81 0.54 -0.28 114.58 122.39 1u4h h GLU 57 Ca 0.22 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1u4h h GLU 57 Cb 0.13 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1u4h h GLU 57 CO -0.03 -0.05 -0.42 0.87 -0.73 0.00 0.00 179.01 178.66 1u4h h LYS 58 N -0.27 0.54 0.00 1.92 1.57 -0.78 -3.25 116.57 116.30 1u4h h LYS 58 Ca -0.02 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 1u4h h LYS 58 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1u4h h LYS 58 CO 0.03 0.86 -0.82 1.79 -0.57 0.00 0.00 179.45 180.74 1u4h h THR 59 N 0.44 0.28 -0.02 -0.16 1.35 -1.12 -3.48 112.91 110.20 1u4h h THR 59 Ca 0.04 -1.47 -0.01 0.00 -0.55 0.00 0.00 66.41 64.42 1u4h h THR 59 Cb 0.92 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1u4h h THR 59 CO 0.08 0.16 -0.01 0.61 -0.25 0.00 0.00 175.52 176.11 1u4h n GLY 60 N 1.23 0.43 3.66 5.82 0.00 -0.13 -5.04 105.19 111.16 1u4h n GLY 60 Ca -0.01 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1u4h n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u4h s LYS 61 N -1.66 2.99 0.35 1.61 1.02 -1.15 -5.05 119.74 117.85 1u4h s LYS 61 Ca 0.00 -0.43 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 1u4h s LYS 61 Cb 0.00 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.42 1u4h s LYS 61 CO 0.00 0.67 1.47 -1.71 -0.92 0.00 0.00 175.35 174.86 1u4h n ASN 62 N 2.24 3.55 0.13 2.83 2.85 -1.26 -4.52 115.26 121.07 1u4h n ASN 62 Ca -0.18 1.20 0.17 0.00 -0.11 0.00 0.00 54.58 55.66 1u4h n ASN 62 Cb 0.53 -1.58 0.74 0.00 1.24 0.00 0.00 39.78 40.71 1u4h n ASN 62 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1u4h h VAL 63 N 2.96 0.66 -0.03 3.44 3.04 -1.93 -0.35 116.25 124.05 1u4h h VAL 63 Ca -0.49 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.04 1u4h h VAL 63 Cb 1.25 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1u4h h VAL 63 CO 0.68 0.00 -0.71 0.78 -1.01 0.00 0.00 177.57 177.31 1u4h h ASN 64 N 0.00 0.19 -0.43 3.17 2.35 -1.99 -1.81 115.58 117.06 1u4h h ASN 64 Ca 0.14 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 1u4h h ASN 64 Cb 0.65 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1u4h h ASN 64 CO -0.00 0.83 -0.29 -0.08 -1.65 0.00 0.00 177.43 176.25 1u4h h GLU 65 N 0.11 0.95 -0.48 0.81 4.81 -1.44 -2.01 114.58 117.33 1u4h h GLU 65 Ca -0.02 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1u4h h GLU 65 Cb 1.26 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1u4h h GLU 65 CO 0.10 1.11 0.31 0.82 -0.73 0.00 0.00 179.01 180.63 1u4h h ILE 66 N 0.79 1.13 -0.84 2.32 2.04 -1.24 -1.04 117.51 120.67 1u4h h ILE 66 Ca 0.09 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1u4h h ILE 66 Cb 0.87 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1u4h h ILE 66 CO 0.08 0.12 0.47 -0.50 0.00 0.00 0.00 178.15 178.32 1u4h h TRP 67 N 0.65 1.14 -0.49 1.37 4.06 -1.19 0.24 115.95 121.72 1u4h h TRP 67 Ca 0.17 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.10 1u4h h TRP 67 Cb -0.06 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 27.71 1u4h h TRP 67 CO -0.04 0.79 0.30 -0.09 -3.56 0.00 0.00 178.44 175.84 1u4h h ARG 68 N 1.16 0.66 -0.40 0.49 9.65 -0.94 0.75 114.38 125.75 1u4h h ARG 68 Ca 0.29 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 58.99 1u4h h ARG 68 Cb 0.02 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 1u4h h ARG 68 CO -0.05 0.47 -0.25 0.93 2.80 0.00 0.00 179.97 183.87 1u4h h GLU 69 N 0.66 0.84 -0.56 0.20 5.08 -0.78 -2.05 114.58 117.96 1u4h h GLU 69 Ca 0.18 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1u4h h GLU 69 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1u4h h GLU 69 CO -0.03 1.00 0.14 0.28 -1.00 0.00 0.00 179.01 179.39 1u4h h VAL 70 N 0.72 1.25 -0.52 3.13 2.07 -0.17 -1.34 116.25 121.38 1u4h h VAL 70 Ca 0.09 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1u4h h VAL 70 Cb 0.79 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1u4h h VAL 70 CO 0.07 0.32 0.28 1.23 0.02 0.00 0.00 177.57 179.49 1u4h h GLY 71 N 0.79 0.78 0.95 2.17 0.00 -0.71 0.57 103.07 107.63 1u4h h GLY 71 Ca 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1u4h h GLY 71 CO 0.00 0.35 0.19 3.21 0.00 0.00 0.00 176.54 180.29 1u4h h ARG 72 N 0.69 0.60 0.00 4.80 3.08 -1.12 -3.15 114.38 119.29 1u4h h ARG 72 Ca 0.18 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 1u4h h ARG 72 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1u4h h ARG 72 CO -0.03 0.53 -0.66 0.37 -1.07 0.00 0.00 179.97 179.12 1u4h h GLN 73 N 0.52 0.00 0.00 0.04 5.75 -1.01 -3.30 115.11 117.12 1u4h h GLN 73 Ca 0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1u4h h GLN 73 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1u4h h GLN 73 CO -0.02 0.66 0.00 -0.97 -2.65 0.00 0.00 178.83 175.85 1u4h h ASN 74 N 0.00 0.00 -0.33 -0.69 -1.24 0.19 -2.07 115.58 111.44 1u4h h ASN 74 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 1u4h h ASN 74 Cb 1.47 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.51 1u4h h ASN 74 CO 0.09 0.00 -0.17 0.40 -1.29 0.00 0.00 177.43 176.45 1u4h h ILE 75 N 0.00 1.27 -0.44 2.57 1.08 -1.63 0.52 117.51 120.87 1u4h h ILE 75 Ca 0.00 -1.27 -0.08 0.00 -0.39 0.00 0.00 64.86 63.11 1u4h h ILE 75 Cb 0.28 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 1u4h h ILE 75 CO 0.00 0.43 -0.06 0.50 -0.69 0.00 0.00 178.15 178.33 1u4h h LYS 76 N 0.71 0.82 -0.68 2.37 3.64 -1.60 -0.27 116.57 121.56 1u4h h LYS 76 Ca 0.11 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1u4h h LYS 76 Cb 0.68 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1u4h h LYS 76 CO 0.05 0.91 0.35 1.15 -2.27 0.00 0.00 179.45 179.64 1u4h h THR 77 N 0.65 1.22 -0.76 1.00 2.02 -1.40 -2.52 112.91 113.12 1u4h h THR 77 Ca 0.12 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1u4h h THR 77 Cb 0.57 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1u4h h THR 77 CO 0.03 0.25 0.46 -0.26 0.37 0.00 0.00 175.52 176.37 1u4h h PHE 78 N 0.93 1.00 0.00 3.16 0.05 -0.54 -0.63 116.94 120.91 1u4h h PHE 78 Ca 0.24 -0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.02 1u4h h PHE 78 Cb 0.08 -0.33 -0.00 0.00 2.00 0.00 0.00 35.95 37.70 1u4h h PHE 78 CO -0.00 0.68 -0.03 0.66 -0.18 0.00 0.00 178.31 179.43 1u4h h SER 79 N 1.04 0.00 0.14 2.17 4.64 -0.63 0.52 113.55 121.42 1u4h h SER 79 Ca 0.27 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.24 1u4h h SER 79 Cb -0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1u4h h SER 79 CO -0.05 0.03 -1.86 -0.33 -0.87 0.00 0.00 176.83 173.75 1u4h h GLU 80 N 0.00 0.29 0.03 4.77 5.08 -1.09 -3.20 114.58 120.46 1u4h h GLU 80 Ca -0.00 -0.50 -0.23 0.00 -1.00 0.00 0.00 59.36 57.63 1u4h h GLU 80 Cb 0.09 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1u4h h GLU 80 CO 0.00 1.24 -1.09 -1.49 -1.00 0.00 0.00 179.01 176.67 1u4h h TRP 81 N 0.02 0.12 -2.11 4.33 4.06 -0.75 -3.38 115.95 118.24 1u4h h TRP 81 Ca -0.39 -0.09 -0.53 0.00 2.06 0.00 0.00 58.89 59.94 1u4h h TRP 81 Cb 2.01 -0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 29.76 1u4h h TRP 81 CO 0.09 1.07 -0.97 1.19 -3.56 0.00 0.00 178.44 176.26 1u4h n PHE 82 N -3.38 1.64 0.24 0.49 3.01 0.18 -4.96 117.46 114.67 1u4h n PHE 82 Ca -0.03 -3.88 0.16 0.00 1.01 0.00 0.00 57.45 54.72 1u4h n PHE 82 Cb 0.96 -0.45 0.87 0.00 -0.01 0.00 0.00 39.48 40.85 1u4h n PHE 82 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1u4h h PRO 83 N 3.13 0.00 0.00 -1.08 0.13 -1.68 -2.38 132.00 130.13 1u4h h PRO 83 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1u4h h PRO 83 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1u4h h PRO 83 CO 0.62 0.00 -0.04 0.66 -0.23 0.00 0.00 178.00 179.01 1u4h h SER 84 N 0.00 0.00 1.35 1.44 4.64 -1.93 -0.56 113.55 118.50 1u4h h SER 84 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1u4h h SER 84 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1u4h h SER 84 CO -0.00 0.04 -0.16 1.88 -0.87 0.00 0.00 176.83 177.72 1u4h h TYR 85 N 0.00 0.00 0.00 4.77 -1.99 -1.81 -3.35 116.97 114.59 1u4h h TYR 85 Ca -0.00 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.47 1u4h h TYR 85 Cb 0.30 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.98 1u4h h TYR 85 CO 0.00 0.00 -2.00 1.19 -0.00 0.00 0.00 178.16 177.35 1u4h n PHE 86 N -2.28 0.00 -1.66 4.88 3.72 -0.80 -4.91 117.46 116.42 1u4h n PHE 86 Ca 0.05 0.00 -0.59 0.00 -0.05 0.00 0.00 57.45 56.86 1u4h n PHE 86 Cb 0.44 -0.69 -0.08 0.00 -0.94 0.00 0.00 39.48 38.21 1u4h n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u4h n ALA 87 N -2.79 -0.20 -3.56 4.37 0.00 -0.28 -2.23 120.51 115.81 1u4h n ALA 87 Ca -0.28 0.34 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1u4h n ALA 87 Cb 0.89 -2.20 0.08 0.00 0.00 0.00 0.00 19.45 18.22 1u4h n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u4h n GLY 88 N 4.68 -0.54 3.20 0.00 0.00 -1.26 -5.02 105.19 106.26 1u4h n GLY 88 Ca 0.31 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 46.43 1u4h n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4h s ARG 89 N -6.28 0.93 0.34 1.61 0.52 -0.95 -5.14 118.95 109.98 1u4h s ARG 89 Ca 0.57 -1.25 0.07 0.00 -0.52 0.00 0.00 55.73 54.60 1u4h s ARG 89 Cb -0.25 -0.61 -0.01 0.00 0.52 0.00 0.00 34.95 34.59 1u4h s ARG 89 CO 0.71 0.09 0.42 1.03 0.02 0.00 0.00 175.30 177.57 1u4h s ARG 90 N -3.02 2.95 0.23 3.54 1.81 -1.26 -4.96 118.95 118.24 1u4h s ARG 90 Ca 0.09 -1.14 -0.07 0.00 -1.72 0.00 0.00 55.73 52.89 1u4h s ARG 90 Cb -0.02 -2.69 0.38 0.00 -0.45 0.00 0.00 34.95 32.17 1u4h s ARG 90 CO 0.01 0.04 1.71 1.25 -0.68 0.00 0.00 175.30 177.62 1u4h h LEU 91 N 0.99 0.08 -0.04 2.53 5.85 -1.93 -1.52 115.31 121.27 1u4h h LEU 91 Ca -0.45 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1u4h h LEU 91 Cb 1.26 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 1u4h h LEU 91 CO 0.54 0.02 -0.28 0.58 -0.34 0.00 0.00 178.44 178.96 1u4h h VAL 92 N 0.31 0.36 -0.72 1.05 2.07 -1.99 -0.30 116.25 117.04 1u4h h VAL 92 Ca 0.37 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.85 1u4h h VAL 92 Cb 0.57 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1u4h h VAL 92 CO -0.43 0.00 0.31 -1.13 0.02 0.00 0.00 177.57 176.33 1u4h h ASN 93 N -0.40 0.97 0.55 0.57 -0.73 -1.86 -3.14 115.58 111.55 1u4h h ASN 93 Ca 0.07 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.07 1u4h h ASN 93 Cb 0.51 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1u4h h ASN 93 CO -0.27 0.86 -0.40 0.15 -0.37 0.00 0.00 177.43 177.41 1u4h h PHE 94 N 1.02 -1.06 -1.76 0.67 3.57 -0.82 -3.49 116.94 115.06 1u4h h PHE 94 Ca 0.24 -0.00 -0.61 0.00 3.53 0.00 0.00 57.97 61.13 1u4h h PHE 94 Cb 0.18 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1u4h h PHE 94 CO 0.01 -0.58 1.47 1.28 -2.23 0.00 0.00 178.31 178.27 1u4h n LEU 95 N -5.52 2.99 0.00 0.59 4.77 -0.16 -5.11 117.00 114.56 1u4h n LEU 95 Ca -0.12 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1u4h n LEU 95 Cb 0.41 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1u4h n LEU 95 CO 0.32 -0.69 0.00 -0.67 -1.33 0.00 0.00 177.39 175.02 1u4h n ASP 99 N 11.20 0.00 -0.10 -1.43 4.64 -1.26 -4.86 116.55 124.75 1u4h n ASP 99 Ca 0.33 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.63 1u4h n ASP 99 Cb 0.39 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.44 1u4h n ASP 99 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 1u4h h GLU 100 N 0.00 0.48 -0.73 -0.67 4.57 -1.97 -2.83 114.58 113.44 1u4h h GLU 100 Ca 0.00 -0.14 0.06 0.00 -1.18 0.00 0.00 59.36 58.10 1u4h h GLU 100 Cb 0.00 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.48 1u4h h GLU 100 CO 0.00 0.61 0.42 0.28 -1.18 0.00 0.00 179.01 179.14 1u4h h VAL 101 N 0.29 0.98 -0.20 0.32 2.07 -1.99 -1.61 116.25 116.11 1u4h h VAL 101 Ca 0.08 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1u4h h VAL 101 Cb 0.37 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1u4h h VAL 101 CO 0.01 0.14 -0.26 0.45 0.02 0.00 0.00 177.57 177.93 1u4h h HIS 102 N 0.76 0.42 -0.21 1.57 3.86 -1.90 -0.89 115.15 118.76 1u4h h HIS 102 Ca 0.33 -0.08 -0.18 0.00 -1.16 0.00 0.00 60.37 59.27 1u4h h HIS 102 Cb 0.20 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1u4h h HIS 102 CO -0.07 0.61 -0.60 -0.07 0.86 0.00 0.00 177.93 178.66 1u4h h LEU 103 N 0.34 0.79 -0.22 2.43 3.38 -1.19 -3.13 115.31 117.70 1u4h h LEU 103 Ca 0.05 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1u4h h LEU 103 Cb 0.63 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1u4h h LEU 103 CO 0.05 1.21 -0.35 1.56 0.09 0.00 0.00 178.44 181.00 1u4h h GLN 104 N 0.53 0.63 0.00 1.13 1.08 -1.07 -0.34 115.11 117.07 1u4h h GLN 104 Ca -0.00 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1u4h h GLN 104 Cb 1.18 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1u4h h GLN 104 CO 0.12 0.99 0.00 1.28 -0.95 0.00 0.00 178.83 180.27 1u4h n LEU 105 N -4.27 0.39 0.00 1.46 4.77 -0.36 -3.15 117.00 115.84 1u4h n LEU 105 Ca -0.05 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1u4h n LEU 105 Cb 0.50 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1u4h n LEU 105 CO 0.45 -0.51 0.14 0.35 -1.33 0.00 0.00 177.39 176.49 1u4h n THR 106 N -1.95 0.00 -0.11 -5.08 -2.24 -1.18 -4.91 114.28 98.81 1u4h n THR 106 Ca 0.02 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 61.41 1u4h n THR 106 Cb 0.17 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.55 1u4h n THR 106 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1u4h n LYS 107 N -0.21 0.21 -1.07 -0.78 2.85 -0.14 -4.69 118.16 114.33 1u4h n LYS 107 Ca 0.00 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1u4h n LYS 107 Cb 0.04 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 1u4h n LYS 107 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1u4h n ILE 109 N 2.48 0.00 -2.07 0.58 5.41 -1.26 -5.04 119.36 119.46 1u4h n ILE 109 Ca 0.03 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.36 1u4h n ILE 109 Cb 0.10 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.00 1u4h n ILE 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1u4h s LYS 110 N -0.83 4.26 -0.95 0.38 -0.14 -1.26 -2.20 119.74 119.00 1u4h s LYS 110 Ca 0.00 2.18 0.00 0.00 -1.36 0.00 0.00 55.97 56.79 1u4h s LYS 110 Cb 0.00 -3.35 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 1u4h s LYS 110 CO 0.00 -0.57 0.00 0.41 -0.76 0.00 0.00 175.35 174.43 1u4h n GLY 111 N 3.69 1.04 3.57 -3.33 0.00 -1.26 -4.94 105.19 103.97 1u4h n GLY 111 Ca 0.13 -0.39 -0.46 0.00 0.00 0.00 0.00 46.02 45.31 1u4h n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4h n ALA 112 N 1.17 -0.58 -3.21 4.61 0.00 -0.94 -4.95 120.51 116.61 1u4h n ALA 112 Ca -0.09 0.42 -0.24 0.00 0.00 0.00 0.00 53.44 53.52 1u4h n ALA 112 Cb 0.36 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 1u4h n ALA 112 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u4h n THR 113 N 0.60 0.99 -2.24 0.00 -2.24 -1.26 -5.08 114.28 105.04 1u4h n THR 113 Ca 0.12 -4.77 -0.34 0.00 -2.27 0.00 0.00 64.05 56.80 1u4h n THR 113 Cb 0.29 -1.56 -0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1u4h n THR 113 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1u4h s PRO 114 N -2.22 3.45 0.48 -0.78 0.04 -1.26 -4.94 135.00 129.77 1u4h s PRO 114 Ca 0.40 1.36 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 1u4h s PRO 114 Cb 0.22 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1u4h s PRO 114 CO -0.08 -0.72 1.11 -1.25 0.04 0.00 0.00 177.00 176.10 1u4h s PRO 115 N -3.61 3.71 -0.06 0.56 0.04 -1.26 -4.94 135.00 129.44 1u4h s PRO 115 Ca 0.67 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 1u4h s PRO 115 Cb -0.18 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1u4h s PRO 115 CO 0.29 -0.55 0.38 1.03 0.04 0.00 0.00 177.00 178.19 1u4h s ARG 116 N -2.93 4.04 -0.29 4.56 1.81 0.07 -4.85 118.95 121.36 1u4h s ARG 116 Ca 0.66 0.32 0.15 0.00 -1.72 0.00 0.00 55.73 55.14 1u4h s ARG 116 Cb -0.24 -3.30 0.48 0.00 -0.45 0.00 0.00 34.95 31.43 1u4h s ARG 116 CO 0.29 0.49 1.12 1.28 -0.68 0.00 0.00 175.30 177.80 1u4h n LEU 117 N 2.57 3.11 -4.68 2.53 4.77 -1.24 -1.35 117.00 122.71 1u4h n LEU 117 Ca -0.12 -3.94 -0.46 0.00 -0.03 0.00 0.00 56.01 51.45 1u4h n LEU 117 Cb 0.52 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1u4h n LEU 117 CO 0.39 1.60 1.49 -0.38 -1.33 0.00 0.00 177.39 179.16 1u4h n ILE 118 N -0.58 0.54 -4.48 -0.08 5.41 -1.16 -4.17 119.36 114.84 1u4h n ILE 118 Ca 0.24 -0.10 -0.30 0.00 1.00 0.00 0.00 62.75 63.59 1u4h n ILE 118 Cb 0.85 -1.97 -0.12 0.00 -0.71 0.00 0.00 39.64 37.70 1u4h n ILE 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u4h s ALA 119 N 3.69 2.65 -0.10 -1.39 0.00 -1.26 -0.81 121.76 124.53 1u4h s ALA 119 Ca 0.89 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 1u4h s ALA 119 Cb -0.61 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1u4h s ALA 119 CO 0.46 0.58 0.30 0.15 0.00 0.00 0.00 175.76 177.26 1u4h s LYS 120 N -1.78 0.39 0.40 0.00 1.02 -0.32 -4.97 119.74 114.49 1u4h s LYS 120 Ca 0.16 0.34 -0.26 0.00 0.02 0.00 0.00 55.97 56.24 1u4h s LYS 120 Cb -0.11 0.19 -0.09 0.00 -0.52 0.00 0.00 37.83 37.31 1u4h s LYS 120 CO 0.08 -0.06 1.25 -2.14 -0.92 0.00 0.00 175.35 173.56 1u4h s PRO 121 N -0.03 4.00 0.00 -1.68 0.02 -1.26 -1.11 135.00 134.94 1u4h s PRO 121 Ca -0.02 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1u4h s PRO 121 Cb -0.03 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.76 1u4h s PRO 121 CO 0.01 -0.43 0.05 1.33 -0.33 0.00 0.00 177.00 177.63 1u4h n VAL 122 N 0.12 0.00 -3.55 3.83 0.24 -0.49 -4.85 118.33 113.63 1u4h n VAL 122 Ca 0.04 -0.21 -0.08 0.00 -2.04 0.00 0.00 64.34 62.05 1u4h n VAL 122 Cb 0.45 1.13 -0.02 0.00 -1.47 0.00 0.00 33.84 33.93 1u4h n VAL 122 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u4h s ALA 123 N -0.33 -1.74 0.67 2.33 0.00 -1.11 -4.96 121.76 116.62 1u4h s ALA 123 Ca 0.00 0.73 0.43 0.00 0.00 0.00 0.00 51.96 53.12 1u4h s ALA 123 Cb 0.00 0.54 2.35 0.00 0.00 0.00 0.00 23.12 26.00 1u4h s ALA 123 CO 0.00 -0.78 2.33 1.57 0.00 0.00 0.00 175.76 178.88 1u4h h LYS 124 N 2.00 0.00 0.00 0.00 2.10 -1.98 -2.36 116.57 116.33 1u4h h LYS 124 Ca -0.24 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1u4h h LYS 124 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1u4h h LYS 124 CO 0.31 0.00 -0.17 -0.40 -2.00 0.00 0.00 179.45 177.18 1u4h n ASP 125 N -3.08 1.78 -3.62 7.07 5.75 -1.26 0.33 116.55 123.52 1u4h n ASP 125 Ca -0.03 -2.91 -0.14 0.00 -0.01 0.00 0.00 54.79 51.70 1u4h n ASP 125 Cb 0.11 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 1u4h n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u4h s ALA 126 N -2.25 -1.19 0.09 2.12 0.00 -0.89 -0.31 121.76 119.33 1u4h s ALA 126 Ca 0.26 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.76 1u4h s ALA 126 Cb 0.23 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1u4h s ALA 126 CO 0.01 -0.45 -0.09 0.96 0.00 0.00 0.00 175.76 176.19 1u4h s ILE 127 N -2.26 0.81 0.44 0.00 -4.36 -0.15 -1.40 121.20 114.28 1u4h s ILE 127 Ca -0.06 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 58.72 1u4h s ILE 127 Cb -0.01 -1.32 0.02 0.00 1.25 0.00 0.00 42.46 42.40 1u4h s ILE 127 CO -0.01 -0.61 0.18 -0.62 0.24 0.00 0.00 174.94 174.12 1u4h n GLU 128 N 0.55 0.89 -3.51 0.37 1.02 -0.26 0.32 120.64 120.01 1u4h n GLU 128 Ca -0.16 -2.97 -0.00 0.00 -0.02 0.00 0.00 57.16 54.01 1u4h n GLU 128 Cb 0.58 0.55 -0.05 0.00 -0.02 0.00 0.00 31.44 32.50 1u4h n GLU 128 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1u4h s GLU 130 N -3.71 0.38 -0.15 3.49 2.12 0.01 -1.17 118.70 119.66 1u4h s GLU 130 Ca 0.14 0.84 -0.16 0.00 0.36 0.00 0.00 54.97 56.14 1u4h s GLU 130 Cb -0.01 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.73 1u4h s GLU 130 CO 0.09 -0.11 0.40 -0.47 -0.54 0.00 0.00 175.26 174.62 1u4h s TYR 131 N 2.18 3.46 -0.06 5.30 5.04 0.29 -3.00 117.35 130.56 1u4h s TYR 131 Ca -0.05 0.72 -0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1u4h s TYR 131 Cb -0.06 -2.48 0.03 0.00 0.35 0.00 0.00 41.96 39.80 1u4h s TYR 131 CO -0.17 0.14 -0.01 0.08 -1.34 0.00 0.00 175.55 174.25 1u4h s VAL 132 N 0.76 0.37 -0.14 3.14 1.01 -0.46 -0.85 120.40 124.24 1u4h s VAL 132 Ca 0.21 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.95 1u4h s VAL 132 Cb -0.14 -0.48 0.13 0.00 0.00 0.00 0.00 36.38 35.88 1u4h s VAL 132 CO 0.07 0.23 1.04 -0.55 0.00 0.00 0.00 175.10 175.89 1u4h s SER 133 N 1.55 -0.30 0.27 3.32 0.15 -0.17 -0.75 113.70 117.76 1u4h s SER 133 Ca -0.02 0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.08 1u4h s SER 133 Cb -0.13 0.27 0.86 0.00 -1.71 0.00 0.00 66.02 65.31 1u4h s SER 133 CO -0.03 -0.37 1.75 0.07 1.20 0.00 0.00 173.24 175.86 1u4h h LYS 134 N 2.27 0.00 0.00 5.44 2.10 -1.83 0.86 116.57 125.41 1u4h h LYS 134 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1u4h h LYS 134 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1u4h h LYS 134 CO 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.74 1u4h h ARG 135 N 0.00 0.00 -3.55 0.07 3.08 -1.93 -3.44 114.38 108.61 1u4h h ARG 135 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u4h h ARG 135 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1u4h h ARG 135 CO 0.00 0.00 -0.40 1.17 -1.07 0.00 0.00 179.97 179.67 1u4h n LYS 136 N -2.52 -2.26 0.00 0.04 4.81 -1.23 -5.09 118.16 111.90 1u4h n LYS 136 Ca 0.05 1.61 0.00 0.00 -0.87 0.00 0.00 58.31 59.10 1u4h n LYS 136 Cb 0.43 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1u4h n LYS 136 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1u4h n TYR 138 N 0.97 0.00 -0.16 5.64 0.53 -1.26 -5.03 117.16 117.85 1u4h n TYR 138 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.82 1u4h n TYR 138 Cb 0.00 0.00 0.11 0.00 -1.03 0.00 0.00 39.34 38.42 1u4h n TYR 138 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1u4h h ASP 139 N 0.00 0.89 -0.31 7.72 3.32 -1.93 -0.19 116.42 125.92 1u4h h ASP 139 Ca 0.00 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 1u4h h ASP 139 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1u4h h ASP 139 CO 0.00 0.93 -0.14 0.22 -1.72 0.00 0.00 179.24 178.52 1u4h h TYR 140 N 0.86 0.73 0.04 4.55 3.20 -1.90 0.12 116.97 124.58 1u4h h TYR 140 Ca 0.17 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1u4h h TYR 140 Cb 0.46 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1u4h h TYR 140 CO 0.03 0.86 -0.08 0.35 -1.64 0.00 0.00 178.16 177.68 1u4h h PHE 141 N 0.39 -0.20 -0.70 -3.82 3.57 -1.85 0.38 116.94 114.71 1u4h h PHE 141 Ca 0.07 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1u4h h PHE 141 Cb 0.67 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1u4h h PHE 141 CO 0.06 -0.12 0.15 -0.07 -2.23 0.00 0.00 178.31 176.09 1u4h h LEU 142 N -0.16 1.08 -0.72 0.59 3.38 -0.99 -2.50 115.31 116.00 1u4h h LEU 142 Ca 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1u4h h LEU 142 Cb 0.18 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1u4h h LEU 142 CO -0.05 1.05 0.40 1.23 0.09 0.00 0.00 178.44 181.16 1u4h h GLY 143 N 1.07 1.06 1.47 0.83 0.00 -0.41 -1.35 103.07 105.74 1u4h h GLY 143 Ca 0.22 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1u4h h GLY 143 CO 0.01 0.46 0.23 1.41 0.00 0.00 0.00 176.54 178.65 1u4h h LEU 144 N 0.98 0.62 -0.31 3.11 3.38 -0.64 0.19 115.31 122.65 1u4h h LEU 144 Ca 0.25 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1u4h h LEU 144 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1u4h h LEU 144 CO -0.04 0.54 -0.21 0.40 0.09 0.00 0.00 178.44 179.21 1u4h h ILE 145 N 0.69 1.30 -0.44 1.22 2.04 -0.97 -0.88 117.51 120.47 1u4h h ILE 145 Ca 0.17 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1u4h h ILE 145 Cb 0.08 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1u4h h ILE 145 CO -0.02 0.44 0.13 -0.33 0.00 0.00 0.00 178.15 178.36 1u4h h GLU 146 N 0.45 0.69 0.00 2.37 5.08 -0.79 -2.11 114.58 120.28 1u4h h GLU 146 Ca 0.06 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1u4h h GLU 146 Cb 0.76 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1u4h h GLU 146 CO 0.06 0.68 -0.19 0.78 -1.00 0.00 0.00 179.01 179.33 1u4h h GLY 147 N 0.58 0.00 1.30 -3.84 0.00 -0.52 -2.26 103.07 98.33 1u4h h GLY 147 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.28 1u4h h GLY 147 CO -0.00 0.00 -0.67 1.76 0.00 0.00 0.00 176.54 177.63 1u4h h SER 148 N 0.00 0.81 -0.49 0.19 0.02 -0.77 -2.17 113.55 111.14 1u4h h SER 148 Ca -0.00 -0.49 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1u4h h SER 148 Cb 0.35 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1u4h h SER 148 CO 0.03 1.26 0.30 -1.28 -1.14 0.00 0.00 176.83 176.00 1u4h h SER 149 N 0.51 0.59 -0.07 3.07 0.87 -0.84 -0.92 113.55 116.75 1u4h h SER 149 Ca -0.02 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1u4h h SER 149 Cb 1.27 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1u4h h SER 149 CO 0.13 0.48 0.03 0.11 -0.53 0.00 0.00 176.83 177.05 1u4h h LYS 150 N 0.66 0.10 -0.25 2.24 1.57 -1.40 -1.19 116.57 118.31 1u4h h LYS 150 Ca 0.18 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1u4h h LYS 150 Cb -0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1u4h h LYS 150 CO -0.03 0.24 0.08 0.35 -0.57 0.00 0.00 179.45 179.51 1u4h h PHE 151 N -0.05 0.14 0.00 -1.35 3.57 -1.18 -1.94 116.94 116.13 1u4h h PHE 151 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1u4h h PHE 151 Cb 0.17 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1u4h h PHE 151 CO -0.02 0.06 0.00 1.19 -2.23 0.00 0.00 178.31 177.31 1u4h n PHE 152 N -5.05 0.00 -2.96 0.41 3.01 -0.37 -4.90 117.46 107.61 1u4h n PHE 152 Ca -0.02 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.25 1u4h n PHE 152 Cb 0.09 -0.16 0.03 0.00 -0.01 0.00 0.00 39.48 39.43 1u4h n PHE 152 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1u4h n LYS 153 N -1.16 -4.45 -4.04 -1.08 4.76 -0.73 -4.89 118.16 106.56 1u4h n LYS 153 Ca 0.18 0.77 -0.31 0.00 -2.87 0.00 0.00 58.31 56.07 1u4h n LYS 153 Cb 0.18 -5.35 -0.16 0.00 -1.84 0.00 0.00 35.03 27.87 1u4h n LYS 153 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1u4h s GLU 154 N -5.58 2.29 0.26 1.97 2.02 -0.52 -5.04 118.70 114.10 1u4h s GLU 154 Ca 0.28 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 1u4h s GLU 154 Cb -0.12 -2.54 -0.10 0.00 0.10 0.00 0.00 34.13 31.47 1u4h s GLU 154 CO 0.35 -0.40 1.33 -2.00 0.02 0.00 0.00 175.26 174.55 1u4h s GLU 155 N 1.31 4.36 0.16 1.61 2.12 -1.26 -4.64 118.70 122.37 1u4h s GLU 155 Ca -0.01 2.15 -0.05 0.00 0.36 0.00 0.00 54.97 57.42 1u4h s GLU 155 Cb -0.16 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1u4h s GLU 155 CO -0.09 -0.24 0.18 0.96 -0.54 0.00 0.00 175.26 175.53 1u4h s ILE 156 N -0.44 0.07 -0.08 -3.70 -4.36 -1.26 -3.41 121.20 108.02 1u4h s ILE 156 Ca 0.54 -1.68 0.05 0.00 -0.26 0.00 0.00 60.65 59.30 1u4h s ILE 156 Cb -0.39 -2.01 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 1u4h s ILE 156 CO 0.45 -0.32 -0.24 -0.55 0.24 0.00 0.00 174.94 174.51 1u4h s SER 157 N -3.02 3.03 -0.15 4.36 0.15 0.62 -4.95 113.70 113.73 1u4h s SER 157 Ca 0.23 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1u4h s SER 157 Cb 0.05 -1.16 0.01 0.00 -1.71 0.00 0.00 66.02 63.21 1u4h s SER 157 CO 0.02 0.19 -0.20 -0.69 1.20 0.00 0.00 173.24 173.76 1u4h s VAL 158 N 0.15 2.14 -0.07 4.45 1.01 -1.26 -0.81 120.40 126.02 1u4h s VAL 158 Ca -0.13 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.93 1u4h s VAL 158 Cb -0.16 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1u4h s VAL 158 CO 0.07 0.54 -0.10 -0.70 0.00 0.00 0.00 175.10 174.91 1u4h s GLU 159 N 0.97 1.49 -0.03 2.72 2.12 -0.65 -4.96 118.70 120.35 1u4h s GLU 159 Ca -0.03 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1u4h s GLU 159 Cb -0.15 -1.33 -0.05 0.00 0.26 0.00 0.00 34.13 32.86 1u4h s GLU 159 CO -0.05 -0.06 1.46 -2.00 -0.54 0.00 0.00 175.26 174.07 1u4h s GLU 160 N 0.95 4.25 -0.12 4.30 2.12 -1.26 0.10 118.70 129.03 1u4h s GLU 160 Ca -0.10 1.99 0.02 0.00 0.36 0.00 0.00 54.97 57.25 1u4h s GLU 160 Cb -0.15 -3.70 -0.24 0.00 0.26 0.00 0.00 34.13 30.30 1u4h s GLU 160 CO 0.00 -0.67 0.35 0.28 -0.54 0.00 0.00 175.26 174.68 1u4h n VAL 161 N 4.97 1.67 -3.58 3.70 0.31 0.17 -4.90 118.33 120.66 1u4h n VAL 161 Ca 0.14 -0.70 -0.05 0.00 -0.01 0.00 0.00 64.34 63.72 1u4h n VAL 161 Cb 0.43 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 1u4h n VAL 161 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1u4h s GLU 162 N -2.56 0.37 0.17 5.55 -1.05 -0.92 -4.99 118.70 115.27 1u4h s GLU 162 Ca -0.18 -0.12 -0.09 0.00 -0.15 0.00 0.00 54.97 54.43 1u4h s GLU 162 Cb 0.07 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1u4h s GLU 162 CO 0.77 -0.16 0.29 -0.98 0.95 0.00 0.00 175.26 176.13 1u4h s ARG 163 N -2.42 1.19 -0.03 -4.83 1.70 -1.26 0.53 118.95 113.84 1u4h s ARG 163 Ca 0.08 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 53.82 1u4h s ARG 163 Cb -0.01 0.38 0.12 0.00 -0.57 0.00 0.00 34.95 34.87 1u4h s ARG 163 CO -0.05 -0.44 1.32 0.20 -1.08 0.00 0.00 175.30 175.25 1u4h s GLY 164 N -2.99 -0.38 -0.04 3.88 0.00 -0.75 -4.97 107.32 102.06 1u4h s GLY 164 Ca 0.19 0.63 -0.02 0.00 0.00 0.00 0.00 44.72 45.52 1u4h s GLY 164 CO 0.02 1.07 0.10 -0.54 0.00 0.00 0.00 173.10 173.75 1u4h s GLU 165 N -2.28 0.07 -0.25 2.90 2.02 -1.26 -1.18 118.70 118.71 1u4h s GLU 165 Ca 0.17 0.25 -0.25 0.00 0.02 0.00 0.00 54.97 55.15 1u4h s GLU 165 Cb 0.04 -0.12 0.07 0.00 0.10 0.00 0.00 34.13 34.23 1u4h s GLU 165 CO -0.04 -0.11 0.73 0.21 0.02 0.00 0.00 175.26 176.07 1u4h s LYS 166 N 0.76 0.84 -1.37 1.61 2.20 0.08 -4.96 119.74 118.91 1u4h s LYS 166 Ca -0.06 0.93 -0.13 0.00 -0.36 0.00 0.00 55.97 56.34 1u4h s LYS 166 Cb -0.08 0.41 0.12 0.00 -1.51 0.00 0.00 37.83 36.76 1u4h s LYS 166 CO -0.03 -0.12 0.54 -0.25 -0.36 0.00 0.00 175.35 175.14 1u4h n ASP 167 N 2.53 -3.05 0.00 1.43 8.00 -1.26 0.27 116.55 124.47 1u4h n ASP 167 Ca -0.14 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1u4h n ASP 167 Cb 0.55 -2.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.11 1u4h n ASP 167 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u4h n GLY 168 N -1.15 0.85 3.74 0.44 0.00 -1.26 -5.04 105.19 102.77 1u4h n GLY 168 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1u4h n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u4h s PHE 169 N -3.40 3.01 0.14 1.61 0.40 0.14 -4.45 117.98 115.43 1u4h s PHE 169 Ca 0.00 -0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.33 1u4h s PHE 169 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1u4h s PHE 169 CO 0.00 0.52 -0.18 -1.12 0.70 0.00 0.00 175.22 175.15 1u4h s SER 170 N -3.09 2.46 0.02 1.36 0.01 0.29 -0.74 113.70 114.01 1u4h s SER 170 Ca 0.30 -0.81 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 1u4h s SER 170 Cb -0.09 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.02 1u4h s SER 170 CO 0.21 -0.05 0.26 0.00 0.41 0.00 0.00 173.24 174.07 1u4h s ARG 171 N -2.58 0.70 -0.16 12.44 1.70 -0.32 -1.00 118.95 129.72 1u4h s ARG 171 Ca 0.12 -0.43 -0.05 0.00 -0.47 0.00 0.00 55.73 54.90 1u4h s ARG 171 Cb -0.06 0.30 0.08 0.00 -0.57 0.00 0.00 34.95 34.69 1u4h s ARG 171 CO 0.05 -0.20 0.29 -1.17 -1.08 0.00 0.00 175.30 173.19 1u4h s LEU 172 N -1.77 -0.36 -0.19 -1.89 0.20 -0.02 -1.80 118.68 112.84 1u4h s LEU 172 Ca -0.09 0.55 -0.05 0.00 0.69 0.00 0.00 54.13 55.23 1u4h s LEU 172 Cb -0.03 0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 46.51 1u4h s LEU 172 CO -0.01 -0.25 -0.01 -0.75 -0.29 0.00 0.00 176.35 175.04 1u4h s LYS 173 N 2.45 3.61 0.19 1.98 2.20 0.19 -0.54 119.74 129.82 1u4h s LYS 173 Ca 0.02 -0.53 0.11 0.00 -0.36 0.00 0.00 55.97 55.21 1u4h s LYS 173 Cb -0.13 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1u4h s LYS 173 CO -0.10 0.06 -0.23 0.14 -0.36 0.00 0.00 175.35 174.85 1u4h s VAL 174 N 0.87 2.31 -0.25 4.02 -7.23 -1.26 0.42 120.40 119.28 1u4h s VAL 174 Ca 0.00 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 1u4h s VAL 174 Cb -0.14 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 1u4h s VAL 174 CO 0.02 -0.15 0.03 -0.60 -0.31 0.00 0.00 175.10 174.09 1u4h s ARG 175 N -2.72 3.42 -0.30 4.82 3.52 0.12 -4.22 118.95 123.59 1u4h s ARG 175 Ca 0.21 -0.62 -0.08 0.00 -0.13 0.00 0.00 55.73 55.11 1u4h s ARG 175 Cb -0.08 -3.23 -0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1u4h s ARG 175 CO 0.10 -0.25 0.11 0.42 -0.81 0.00 0.00 175.30 174.86 1u4h s ILE 176 N 1.54 4.25 -0.14 4.11 1.01 0.15 -1.63 121.20 130.49 1u4h s ILE 176 Ca 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 1u4h s ILE 176 Cb -0.15 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1u4h s ILE 176 CO 0.01 0.11 -0.04 -0.75 0.00 0.00 0.00 174.94 174.27 1u4h s LYS 177 N 1.56 3.51 0.33 2.79 2.20 0.01 -0.98 119.74 129.16 1u4h s LYS 177 Ca 0.04 -0.52 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1u4h s LYS 177 Cb -0.17 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1u4h s LYS 177 CO 0.04 0.33 0.51 -0.06 -0.36 0.00 0.00 175.35 175.81 1u4h s PHE 178 N 0.13 3.48 0.10 4.03 0.40 0.58 -0.27 117.98 126.43 1u4h s PHE 178 Ca -0.01 0.27 -0.22 0.00 -0.60 0.00 0.00 56.93 56.37 1u4h s PHE 178 Cb -0.14 -1.84 -0.11 0.00 0.51 0.00 0.00 43.02 41.44 1u4h s PHE 178 CO 0.03 0.18 1.75 0.87 0.70 0.00 0.00 175.22 178.74 1u4h h LYS 179 N 0.83 0.07 -6.63 0.44 1.79 -1.87 -3.44 116.57 107.76 1u4h h LYS 179 Ca -0.50 -0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.31 1u4h h LYS 179 Cb 1.22 -0.02 -0.18 0.00 -1.58 0.00 0.00 32.23 31.67 1u4h h LYS 179 CO 0.61 0.05 -0.81 -0.80 -1.08 0.00 0.00 179.45 177.41 1u4h s ASN 180 N -5.24 3.58 0.36 0.86 0.01 -1.26 -5.10 114.94 108.15 1u4h s ASN 180 Ca -0.13 -0.79 -0.26 0.00 -0.71 0.00 0.00 52.86 50.98 1u4h s ASN 180 Cb 0.07 -0.34 -0.13 0.00 0.41 0.00 0.00 41.25 41.26 1u4h s ASN 180 CO 0.67 0.13 0.89 -2.65 -1.51 0.00 0.00 177.10 174.63 1u4h n PRO 181 N 0.34 1.13 0.00 -0.60 -0.02 -1.26 -4.80 135.00 129.78 1u4h n PRO 181 Ca -0.13 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1u4h n PRO 181 Cb 0.55 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1u4h n PRO 181 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1u4h n VAL 182 N -0.26 0.00 -4.35 -1.45 0.24 0.15 -4.94 118.33 107.72 1u4h n VAL 182 Ca 0.10 -0.31 -0.24 0.00 -2.04 0.00 0.00 64.34 61.85 1u4h n VAL 182 Cb 0.36 0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 33.62 1u4h n VAL 182 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1u4h s PHE 183 N -0.66 2.54 -0.22 6.34 2.99 0.76 -5.03 117.98 124.70 1u4h s PHE 183 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 56.93 56.38 1u4h s PHE 183 Cb 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 43.02 41.69 1u4h s PHE 183 CO 0.00 0.52 0.55 -2.00 -0.00 0.00 0.00 175.22 174.29 1u4h s GLU 184 N -3.69 0.58 0.26 0.44 2.12 -1.26 -4.79 118.70 112.37 1u4h s GLU 184 Ca 0.34 0.93 -0.30 0.00 0.36 0.00 0.00 54.97 56.29 1u4h s GLU 184 Cb -0.01 0.14 -0.11 0.00 0.26 0.00 0.00 34.13 34.41 1u4h s GLU 184 CO 0.19 -0.13 1.56 0.71 -0.54 0.00 0.00 175.26 177.05 1u4h s TYR 185 N 1.11 2.87 0.04 5.30 4.12 -1.26 -5.00 117.35 124.53 1u4h s TYR 185 Ca -0.07 0.78 -0.01 0.00 0.02 0.00 0.00 57.07 57.79 1u4h s TYR 185 Cb -0.06 -4.00 -0.03 0.00 -1.52 0.00 0.00 41.96 36.36 1u4h s TYR 185 CO -0.11 -3.41 -0.01 0.15 0.02 0.00 0.00 175.55 172.20 1u4h s LYS 186 N -0.12 0.49 0.55 -0.62 1.02 -1.26 -5.14 119.74 114.66 1u4h s LYS 186 Ca 0.64 -0.90 -0.20 0.00 0.02 0.00 0.00 55.97 55.54 1u4h s LYS 186 Cb -0.46 0.18 -0.08 0.00 -0.52 0.00 0.00 37.83 36.95 1u4h s LYS 186 CO 0.43 -0.09 0.81 1.63 -0.92 0.00 0.00 175.35 177.21 1u4h n LYS 187 N 0.81 0.85 0.00 1.68 4.76 -1.26 -5.35 118.16 119.65 1u4h n LYS 187 Ca -0.19 0.32 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 1u4h n LYS 187 Cb 0.58 -1.96 0.70 0.00 -1.84 0.00 0.00 35.03 32.51 1u4h n LYS 187 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12