#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwk h ILE 3 N 0.00 0.76 0.22 1.53 6.09 -1.97 -2.64 117.51 121.51 1lwk h ILE 3 Ca 0.00 -0.13 -0.01 0.00 -1.37 0.00 0.00 64.86 63.35 1lwk h ILE 3 Cb 0.00 0.35 0.00 0.00 0.47 0.00 0.00 36.82 37.64 1lwk h ILE 3 CO 0.00 0.07 -0.11 -0.26 -3.07 0.00 0.00 178.15 174.78 1lwk h PHE 4 N 0.38 -0.28 0.00 2.19 -1.00 -2.01 -0.47 116.94 115.75 1lwk h PHE 4 Ca 0.30 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.07 1lwk h PHE 4 Cb 0.37 0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1lwk h PHE 4 CO -0.18 0.02 0.00 0.39 -1.61 0.00 0.00 178.31 176.94 1lwk n GLU 5 N -5.10 0.00 0.00 1.51 1.02 -0.99 -0.77 120.64 116.31 1lwk n GLU 5 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1lwk n GLU 5 Cb 0.23 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1lwk n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1lwk n LEU 7 N 0.98 0.00 -0.05 -4.62 4.77 -0.19 -2.40 117.00 115.50 1lwk n LEU 7 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1lwk n LEU 7 Cb 0.00 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 1lwk n LEU 7 CO 0.00 0.00 1.09 -0.09 -1.33 0.00 0.00 177.39 177.06 1lwk h ARG 8 N 0.00 0.64 -0.21 3.23 9.65 -1.17 2.63 114.38 129.15 1lwk h ARG 8 Ca 0.00 -0.08 -0.10 0.00 -1.10 0.00 0.00 59.98 58.70 1lwk h ARG 8 Cb 0.00 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1lwk h ARG 8 CO 0.00 0.51 -0.27 0.82 2.80 0.00 0.00 179.97 183.83 1lwk h ILE 9 N 0.64 1.33 0.00 1.20 2.04 -1.71 -0.96 117.51 120.05 1lwk h ILE 9 Ca 0.16 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1lwk h ILE 9 Cb 0.08 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1lwk h ILE 9 CO -0.02 0.45 -0.25 0.44 0.00 0.00 0.00 178.15 178.77 1lwk h ASP 10 N 0.23 0.00 0.07 1.72 3.32 -1.52 -3.35 116.42 116.89 1lwk h ASP 10 Ca 0.03 -0.04 -0.37 0.00 0.02 0.00 0.00 57.03 56.66 1lwk h ASP 10 Cb 0.84 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.33 1lwk h ASP 10 CO 0.06 0.02 -2.30 -0.62 -1.72 0.00 0.00 179.24 174.68 1lwk n GLU 11 N -2.55 0.68 0.00 3.56 -0.58 0.87 -5.02 120.64 117.61 1lwk n GLU 11 Ca 0.04 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1lwk n GLU 11 Cb 0.48 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1lwk n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lwk n GLY 12 N 2.01 -0.46 3.00 0.62 0.00 -0.38 -4.21 105.19 105.78 1lwk n GLY 12 Ca -0.37 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1lwk n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lwk s LEU 13 N -2.30 1.96 -0.05 0.99 2.96 -1.26 -3.78 118.68 117.20 1lwk s LEU 13 Ca 0.00 -0.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1lwk s LEU 13 Cb 0.00 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.53 1lwk s LEU 13 CO 0.00 -0.11 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.30 1lwk s ARG 14 N 1.45 0.69 0.00 1.98 6.06 -1.23 -5.02 118.95 122.88 1lwk s ARG 14 Ca 0.02 -0.02 0.24 0.00 -2.50 0.00 0.00 55.73 53.47 1lwk s ARG 14 Cb -0.15 -0.82 0.29 0.00 0.06 0.00 0.00 34.95 34.34 1lwk s ARG 14 CO -0.09 -0.15 1.29 1.28 -2.50 0.00 0.00 175.30 175.13 1lwk n LEU 15 N 4.36 2.26 -4.29 -0.88 4.77 -1.26 -0.47 117.00 121.48 1lwk n LEU 15 Ca -0.20 -0.77 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 1lwk n LEU 15 Cb 0.51 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 1lwk n LEU 15 CO 0.20 0.39 -0.56 -0.54 -1.33 0.00 0.00 177.39 175.55 1lwk s LYS 16 N -2.22 2.10 0.52 3.23 1.02 -1.26 -1.19 119.74 121.93 1lwk s LYS 16 Ca 0.25 -0.90 -0.21 0.00 0.02 0.00 0.00 55.97 55.14 1lwk s LYS 16 Cb 0.19 -1.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.43 1lwk s LYS 16 CO 0.42 0.52 0.95 -0.89 -0.92 0.00 0.00 175.35 175.44 1lwk n ILE 17 N 2.53 2.98 -3.96 2.17 5.41 -1.16 -4.71 119.36 122.62 1lwk n ILE 17 Ca -0.16 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 62.97 1lwk n ILE 17 Cb 0.51 -1.13 -0.01 0.00 -0.71 0.00 0.00 39.64 38.30 1lwk n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1lwk s TYR 18 N -1.43 0.57 -0.04 1.39 -0.85 1.34 -4.93 117.35 113.41 1lwk s TYR 18 Ca 0.69 -1.00 0.03 0.00 -0.52 0.00 0.00 57.07 56.27 1lwk s TYR 18 Cb -0.48 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 1lwk s TYR 18 CO 0.52 -1.31 -0.10 0.15 -1.52 0.00 0.00 175.55 173.30 1lwk s LYS 19 N -2.87 2.57 0.34 -3.49 1.02 -1.25 0.41 119.74 116.48 1lwk s LYS 19 Ca 0.23 -0.67 -0.06 0.00 0.02 0.00 0.00 55.97 55.49 1lwk s LYS 19 Cb -0.03 -2.47 0.08 0.00 -0.52 0.00 0.00 37.83 34.89 1lwk s LYS 19 CO 0.15 0.63 0.44 -0.40 -0.92 0.00 0.00 175.35 175.25 1lwk n ASP 20 N 2.04 -0.15 0.29 2.83 5.68 -0.68 -4.80 116.55 121.76 1lwk n ASP 20 Ca -0.17 -1.10 0.19 0.00 -0.50 0.00 0.00 54.79 53.21 1lwk n ASP 20 Cb 0.53 -0.34 1.01 0.00 -1.14 0.00 0.00 41.12 41.17 1lwk n ASP 20 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1lwk h THR 21 N -1.35 0.00 0.00 2.12 2.02 -1.94 -1.75 112.91 112.00 1lwk h THR 21 Ca -0.15 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1lwk h THR 21 Cb 0.41 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1lwk h THR 21 CO 0.10 0.00 -0.40 -0.62 0.37 0.00 0.00 175.52 174.98 1lwk n GLU 22 N -2.88 0.04 -0.46 6.66 -0.58 -1.26 -4.94 120.64 117.22 1lwk n GLU 22 Ca -0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1lwk n GLU 22 Cb 0.09 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1lwk n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lwk n GLY 23 N 1.48 0.74 3.73 0.62 0.00 -0.66 -5.06 105.19 106.04 1lwk n GLY 23 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1lwk n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lwk s TYR 24 N -2.69 3.70 0.20 1.61 4.12 -1.26 -4.60 117.35 118.43 1lwk s TYR 24 Ca 0.00 1.53 -0.33 0.00 0.02 0.00 0.00 57.07 58.29 1lwk s TYR 24 Cb 0.00 -2.91 -0.13 0.00 -1.52 0.00 0.00 41.96 37.39 1lwk s TYR 24 CO 0.00 0.17 1.53 0.66 0.02 0.00 0.00 175.55 177.93 1lwk n TYR 25 N 3.19 2.30 -3.70 2.71 4.02 -1.04 -1.68 117.16 122.96 1lwk n TYR 25 Ca 0.00 0.31 -0.12 0.00 -0.01 0.00 0.00 57.90 58.09 1lwk n TYR 25 Cb 0.50 -2.52 -0.06 0.00 -0.02 0.00 0.00 39.34 37.24 1lwk n TYR 25 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1lwk s THR 26 N 0.52 0.07 0.19 -0.72 2.01 1.38 -0.19 115.64 118.89 1lwk s THR 26 Ca 0.74 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 1lwk s THR 26 Cb -0.65 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1lwk s THR 26 CO 0.42 -0.32 0.33 -0.51 -0.69 0.00 0.00 174.62 173.86 1lwk s ILE 27 N -2.78 0.04 0.00 1.82 2.07 -1.06 0.41 121.20 121.71 1lwk s ILE 27 Ca -0.03 -1.38 0.00 0.00 -1.41 0.00 0.00 60.65 57.83 1lwk s ILE 27 Cb -0.00 -1.93 0.00 0.00 0.13 0.00 0.00 42.46 40.66 1lwk s ILE 27 CO -0.05 -0.20 0.00 0.61 -1.91 0.00 0.00 174.94 173.39 1lwk n GLY 28 N -0.26 1.87 3.20 1.50 0.00 0.38 -1.29 105.19 110.58 1lwk n GLY 28 Ca -0.06 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1lwk n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lwk n ILE 29 N 0.00 3.90 -2.09 -0.61 5.41 -1.25 -3.46 119.36 121.25 1lwk n ILE 29 Ca 0.00 -3.91 -0.16 0.00 1.00 0.00 0.00 62.75 59.68 1lwk n ILE 29 Cb 0.00 -2.45 -0.02 0.00 -0.71 0.00 0.00 39.64 36.46 1lwk n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1lwk n GLY 30 N 4.44 0.18 3.55 7.39 0.00 -1.24 -4.91 105.19 114.60 1lwk n GLY 30 Ca 0.47 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1lwk n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lwk s HIS 31 N -2.75 2.90 -0.06 1.61 5.04 -0.41 -4.95 115.29 116.67 1lwk s HIS 31 Ca 0.00 0.24 -0.30 0.00 -1.54 0.00 0.00 55.06 53.46 1lwk s HIS 31 Cb 0.00 -3.94 -0.05 0.00 0.04 0.00 0.00 32.58 28.62 1lwk s HIS 31 CO 0.00 -1.15 1.63 -1.17 -2.34 0.00 0.00 174.74 171.71 1lwk s LEU 32 N 3.72 4.32 -0.16 8.88 2.96 -1.26 -2.55 118.68 134.59 1lwk s LEU 32 Ca 0.34 2.21 -0.15 0.00 -0.22 0.00 0.00 54.13 56.31 1lwk s LEU 32 Cb -0.11 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.93 1lwk s LEU 32 CO 0.24 -0.91 0.12 -0.07 -1.32 0.00 0.00 176.35 174.41 1lwk h LEU 33 N 10.12 0.00 -7.00 -0.68 3.38 -0.93 -3.49 115.31 116.72 1lwk h LEU 33 Ca -0.39 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.34 1lwk h LEU 33 Cb 1.17 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.68 1lwk h LEU 33 CO 0.95 1.03 0.26 0.28 0.09 0.00 0.00 178.44 181.05 1lwk s THR 34 N -2.19 0.00 -0.74 0.22 -1.32 -1.06 -4.94 115.64 105.62 1lwk s THR 34 Ca -0.18 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.06 1lwk s THR 34 Cb 0.02 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.07 1lwk s THR 34 CO 0.39 0.00 1.13 -1.59 -2.21 0.00 0.00 174.62 172.34 1lwk s LYS 35 N 1.42 3.22 -0.30 7.08 -2.85 -1.26 -2.50 119.74 124.55 1lwk s LYS 35 Ca -0.09 -0.73 -0.17 0.00 -1.00 0.00 0.00 55.97 53.99 1lwk s LYS 35 Cb -0.04 -4.36 0.18 0.00 -2.06 0.00 0.00 37.83 31.55 1lwk s LYS 35 CO -0.16 -1.96 1.16 0.45 0.10 0.00 0.00 175.35 174.93 1lwk s SER 36 N 3.81 -0.26 0.55 0.03 0.15 -1.26 -5.02 113.70 111.70 1lwk s SER 36 Ca 0.29 0.38 0.24 0.00 0.70 0.00 0.00 55.95 57.56 1lwk s SER 36 Cb -0.11 1.19 1.44 0.00 -1.71 0.00 0.00 66.02 66.83 1lwk s SER 36 CO 0.09 -0.06 2.07 -0.65 1.20 0.00 0.00 173.24 175.89 1lwk h PRO 37 N 6.25 0.00 -6.26 5.44 0.10 -1.94 -3.42 132.00 132.17 1lwk h PRO 37 Ca -0.21 0.00 -0.56 0.00 0.10 0.00 0.00 66.00 65.32 1lwk h PRO 37 Cb 1.15 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 32.22 1lwk h PRO 37 CO 0.16 0.00 1.03 0.45 0.10 0.00 0.00 178.00 179.74 1lwk s SER 38 N -6.31 6.63 0.26 -2.05 0.15 -1.26 -4.89 113.70 106.23 1lwk s SER 38 Ca -0.05 1.64 -0.05 0.00 0.70 0.00 0.00 55.95 58.19 1lwk s SER 38 Cb 0.18 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.26 1lwk s SER 38 CO 0.66 -1.04 1.93 0.25 1.20 0.00 0.00 173.24 176.24 1lwk h LEU 39 N 10.80 1.10 -1.29 3.45 5.85 -2.00 -2.20 115.31 131.02 1lwk h LEU 39 Ca -0.31 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1lwk h LEU 39 Cb 1.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1lwk h LEU 39 CO 0.99 0.79 0.49 0.78 -0.34 0.00 0.00 178.44 181.16 1lwk h ASN 40 N 1.30 0.80 -0.36 1.25 4.21 -1.97 0.13 115.58 120.94 1lwk h ASN 40 Ca 0.36 -0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.87 1lwk h ASN 40 Cb -0.12 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 36.86 1lwk h ASN 40 CO -0.09 0.56 0.22 0.00 -1.29 0.00 0.00 177.43 176.84 1lwk h ALA 41 N 1.56 0.46 -0.55 -0.83 0.00 -1.81 -0.66 119.26 117.42 1lwk h ALA 41 Ca 0.29 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1lwk h ALA 41 Cb -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1lwk h ALA 41 CO -0.08 -0.12 0.22 0.00 0.00 0.00 0.00 179.25 179.28 1lwk h ALA 42 N 1.15 0.70 -0.06 0.00 0.00 -0.72 0.83 119.26 121.16 1lwk h ALA 42 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1lwk h ALA 42 Cb -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1lwk h ALA 42 CO -0.06 -0.17 0.04 0.87 0.00 0.00 0.00 179.25 179.93 1lwk h LYS 43 N 0.42 0.08 -0.23 0.00 1.79 0.14 1.68 116.57 120.44 1lwk h LYS 43 Ca 0.27 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.74 1lwk h LYS 43 Cb 0.28 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1lwk h LYS 43 CO -0.25 0.08 0.13 0.66 -1.08 0.00 0.00 179.45 178.98 1lwk h SER 44 N 0.05 0.20 -0.35 0.86 4.64 -0.88 0.26 113.55 118.33 1lwk h SER 44 Ca 0.02 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1lwk h SER 44 Cb 0.02 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1lwk h SER 44 CO -0.00 0.15 0.05 -0.33 -0.87 0.00 0.00 176.83 175.82 1lwk h GLU 45 N 0.26 0.16 -0.63 4.77 4.39 0.13 -1.56 114.58 122.10 1lwk h GLU 45 Ca 0.09 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.91 1lwk h GLU 45 Cb 0.01 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.52 1lwk h GLU 45 CO -0.05 0.10 0.09 1.25 -1.16 0.00 0.00 179.01 179.24 1lwk h LEU 46 N 0.16 -0.10 -1.72 1.33 5.85 0.47 -0.70 115.31 120.59 1lwk h LEU 46 Ca 0.17 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1lwk h LEU 46 Cb 0.20 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1lwk h LEU 46 CO -0.24 -0.05 0.13 0.44 -0.34 0.00 0.00 178.44 178.38 1lwk h ASP 47 N 0.20 0.27 -0.05 1.25 3.32 0.20 -0.09 116.42 121.52 1lwk h ASP 47 Ca 0.34 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.12 1lwk h ASP 47 Cb 0.54 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.03 1lwk h ASP 47 CO -0.47 0.22 -0.96 0.50 -1.72 0.00 0.00 179.24 176.81 1lwk h LYS 48 N 0.32 0.74 0.04 3.56 3.64 -0.23 4.04 116.57 128.68 1lwk h LYS 48 Ca 0.08 -0.73 0.02 0.00 -1.27 0.00 0.00 60.65 58.75 1lwk h LYS 48 Cb 0.01 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1lwk h LYS 48 CO -0.01 1.31 -0.12 0.00 -2.27 0.00 0.00 179.45 178.35 1lwk h ALA 49 N 0.45 -0.17 0.00 5.00 0.00 -0.70 -3.11 119.26 120.73 1lwk h ALA 49 Ca -0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1lwk h ALA 49 Cb 1.60 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1lwk h ALA 49 CO 0.19 -0.63 -1.06 0.82 0.00 0.00 0.00 179.25 178.57 1lwk h ILE 50 N -0.23 0.79 -2.52 0.00 1.08 -0.98 -3.49 117.51 112.16 1lwk h ILE 50 Ca 0.03 -2.28 -0.08 0.00 -0.39 0.00 0.00 64.86 62.14 1lwk h ILE 50 Cb 0.27 2.29 0.03 0.00 -3.07 0.00 0.00 36.82 36.34 1lwk h ILE 50 CO -0.09 0.45 -0.16 0.61 -0.69 0.00 0.00 178.15 178.26 1lwk n GLY 51 N 1.34 0.40 3.60 5.37 0.00 1.32 -5.04 105.19 112.19 1lwk n GLY 51 Ca -0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 1lwk n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1lwk s ARG 52 N -4.68 0.31 -0.75 1.61 1.70 -0.32 -5.01 118.95 111.80 1lwk s ARG 52 Ca 0.05 -0.02 -0.26 0.00 -0.47 0.00 0.00 55.73 55.03 1lwk s ARG 52 Cb -0.02 0.14 -0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1lwk s ARG 52 CO 0.16 -0.12 1.64 1.21 -1.08 0.00 0.00 175.30 177.11 1lwk s ASN 53 N -1.60 5.68 -0.11 -2.89 3.84 -1.26 -4.30 114.94 114.29 1lwk s ASN 53 Ca 0.07 -0.29 -0.24 0.00 0.21 0.00 0.00 52.86 52.61 1lwk s ASN 53 Cb -0.01 -2.55 -0.27 0.00 -0.55 0.00 0.00 41.25 37.87 1lwk s ASN 53 CO -0.04 -2.16 0.72 0.71 -2.79 0.00 0.00 177.10 173.54 1lwk h THR 54 N 6.66 1.49 -6.05 -5.21 1.35 -1.89 -3.48 112.91 105.79 1lwk h THR 54 Ca -0.15 -2.40 -0.42 0.00 -0.55 0.00 0.00 66.41 62.89 1lwk h THR 54 Cb 1.08 3.11 0.06 0.00 -1.73 0.00 0.00 68.15 70.67 1lwk h THR 54 CO 1.26 0.63 -0.79 -3.20 -0.25 0.00 0.00 175.52 173.17 1lwk n ASN 55 N -4.33 -2.66 0.00 5.36 2.85 -1.26 -3.55 115.26 111.67 1lwk n ASN 55 Ca -0.16 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 53.56 1lwk n ASN 55 Cb 0.68 -4.28 0.00 0.00 1.24 0.00 0.00 39.78 37.42 1lwk n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lwk n GLY 56 N -1.58 0.29 3.31 8.20 0.00 -1.26 -5.00 105.19 109.15 1lwk n GLY 56 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1lwk n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lwk s VAL 57 N -1.82 1.84 0.24 1.61 1.01 -1.23 -2.97 120.40 119.08 1lwk s VAL 57 Ca 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.42 1lwk s VAL 57 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1lwk s VAL 57 CO 0.00 -0.00 0.15 0.27 0.00 0.00 0.00 175.10 175.52 1lwk s ILE 58 N -1.11 0.13 0.42 2.22 -4.36 -0.33 -4.86 121.20 113.31 1lwk s ILE 58 Ca 0.08 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.40 1lwk s ILE 58 Cb -0.10 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.04 1lwk s ILE 58 CO 0.04 0.00 0.74 0.42 0.24 0.00 0.00 174.94 176.39 1lwk s THR 59 N -3.93 4.87 0.20 8.37 -4.23 -1.26 -4.78 115.64 114.89 1lwk s THR 59 Ca 0.39 0.36 0.17 0.00 -1.18 0.00 0.00 61.69 61.43 1lwk s THR 59 Cb 0.06 -3.79 0.11 0.00 1.34 0.00 0.00 72.50 70.23 1lwk s THR 59 CO 0.15 -0.62 1.73 0.07 -0.54 0.00 0.00 174.62 175.41 1lwk h LYS 60 N 0.91 0.00 -0.99 3.99 2.10 -1.98 0.25 116.57 120.84 1lwk h LYS 60 Ca -0.47 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.25 1lwk h LYS 60 Cb 1.19 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.46 1lwk h LYS 60 CO 0.63 0.40 0.64 -0.44 -2.00 0.00 0.00 179.45 178.68 1lwk h ASP 61 N 0.00 1.01 0.10 7.07 3.32 -1.98 1.13 116.42 127.06 1lwk h ASP 61 Ca -0.00 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lwk h ASP 61 Cb 0.89 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1lwk h ASP 61 CO 0.05 0.64 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.83 1lwk h GLU 62 N 1.15 -0.13 -0.60 3.56 5.08 -1.76 -0.39 114.58 121.49 1lwk h GLU 62 Ca 0.43 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.92 1lwk h GLU 62 Cb 0.19 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.36 1lwk h GLU 62 CO -0.18 -0.07 -0.05 0.00 -1.00 0.00 0.00 179.01 177.71 1lwk h ALA 63 N 0.76 0.53 -0.04 3.43 0.00 0.11 0.80 119.26 124.85 1lwk h ALA 63 Ca -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1lwk h ALA 63 Cb 0.11 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1lwk h ALA 63 CO 0.02 -0.41 -0.37 0.93 0.00 0.00 0.00 179.25 179.42 1lwk h GLU 64 N 0.07 0.07 0.09 0.00 5.08 0.18 -2.15 114.58 117.92 1lwk h GLU 64 Ca 0.31 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1lwk h GLU 64 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1lwk h GLU 64 CO -0.55 0.44 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.63 1lwk h LYS 65 N 0.06 -0.11 -0.71 2.33 3.64 0.84 -1.68 116.57 120.95 1lwk h LYS 65 Ca 0.01 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1lwk h LYS 65 Cb 0.69 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 1lwk h LYS 65 CO 0.05 -0.03 0.47 -0.07 -2.27 0.00 0.00 179.45 177.60 1lwk h LEU 66 N -0.17 0.51 0.08 5.20 3.38 -1.06 -1.43 115.31 121.81 1lwk h LEU 66 Ca -0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1lwk h LEU 66 Cb 0.14 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1lwk h LEU 66 CO 0.02 0.30 -0.25 0.15 0.09 0.00 0.00 178.44 178.75 1lwk h PHE 67 N 0.56 -0.66 -0.42 1.13 -0.00 -1.08 0.17 116.94 116.65 1lwk h PHE 67 Ca 0.33 0.02 0.09 0.00 -0.00 0.00 0.00 57.97 58.40 1lwk h PHE 67 Cb 0.53 0.28 -0.09 0.00 -0.00 0.00 0.00 35.95 36.67 1lwk h PHE 67 CO -0.00 -0.34 -0.17 -0.91 -0.00 0.00 0.00 178.31 176.89 1lwk h ASN 68 N -0.43 -0.58 0.23 0.41 2.35 -0.32 0.16 115.58 117.40 1lwk h ASN 68 Ca 0.04 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1lwk h ASN 68 Cb 0.47 0.33 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1lwk h ASN 68 CO -0.17 -0.20 -0.11 1.56 -1.65 0.00 0.00 177.43 176.86 1lwk h GLN 69 N -0.08 -0.30 -0.42 0.81 4.20 -1.37 0.19 115.11 118.13 1lwk h GLN 69 Ca 0.20 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.00 1lwk h GLN 69 Cb 0.40 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1lwk h GLN 69 CO -0.48 -0.11 0.11 -0.44 -0.67 0.00 0.00 178.83 177.25 1lwk h ASP 70 N -0.43 0.08 -0.22 1.46 3.32 -0.41 1.64 116.42 121.85 1lwk h ASP 70 Ca -0.03 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1lwk h ASP 70 Cb 0.33 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1lwk h ASP 70 CO 0.05 0.08 0.12 0.58 -1.72 0.00 0.00 179.24 178.34 1lwk h VAL 71 N 0.26 1.01 -0.06 -1.35 2.07 -0.46 0.54 116.25 118.26 1lwk h VAL 71 Ca 0.20 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1lwk h VAL 71 Cb 0.22 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1lwk h VAL 71 CO -0.24 0.04 -0.22 -0.78 0.02 0.00 0.00 177.57 176.39 1lwk h ASP 72 N 0.24 -0.67 -0.60 0.57 -0.00 0.02 -1.75 116.42 114.23 1lwk h ASP 72 Ca 0.09 0.10 0.10 0.00 -0.00 0.00 0.00 57.03 57.32 1lwk h ASP 72 Cb 0.01 0.29 -0.11 0.00 -0.00 0.00 0.00 39.33 39.51 1lwk h ASP 72 CO -0.05 -0.28 -0.34 0.00 -0.00 0.00 0.00 179.24 178.57 1lwk h ALA 73 N 0.59 -0.05 0.06 -0.78 0.00 0.28 -1.07 119.26 118.29 1lwk h ALA 73 Ca 0.08 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1lwk h ALA 73 Cb 0.43 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1lwk h ALA 73 CO -0.24 -0.68 -0.07 0.00 0.00 0.00 0.00 179.25 178.26 1lwk h ALA 74 N 0.99 -0.77 -1.00 0.00 0.00 -0.05 -1.07 119.26 117.36 1lwk h ALA 74 Ca 0.23 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.41 1lwk h ALA 74 Cb 0.55 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.55 1lwk h ALA 74 CO -0.68 -0.77 0.56 0.28 0.00 0.00 0.00 179.25 178.64 1lwk h VAL 75 N -0.13 0.39 0.14 0.00 2.07 -1.23 0.38 116.25 117.87 1lwk h VAL 75 Ca -0.01 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1lwk h VAL 75 Cb 0.11 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1lwk h VAL 75 CO -0.01 0.08 -0.07 0.03 0.02 0.00 0.00 177.57 177.61 1lwk h ARG 76 N 0.42 -0.19 -0.94 1.57 3.08 -0.97 0.12 114.38 117.47 1lwk h ARG 76 Ca 0.69 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.79 1lwk h ARG 76 Cb 1.48 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.52 1lwk h ARG 76 CO -0.56 -0.04 0.61 0.78 -1.07 0.00 0.00 179.97 179.69 1lwk h GLY 77 N -0.29 1.37 0.80 0.04 0.00 0.36 0.87 103.07 106.22 1lwk h GLY 77 Ca -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1lwk h GLY 77 CO 0.03 0.39 -0.28 -2.22 0.00 0.00 0.00 176.54 174.46 1lwk h ILE 78 N 1.18 0.41 0.00 2.60 2.04 -0.83 -2.69 117.51 120.21 1lwk h ILE 78 Ca 0.38 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.21 1lwk h ILE 78 Cb 0.01 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1lwk h ILE 78 CO -0.12 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.82 1lwk h LEU 79 N -0.66 0.00 -2.60 1.44 3.38 -0.01 -1.41 115.31 115.46 1lwk h LEU 79 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1lwk h LEU 79 Cb 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1lwk h LEU 79 CO 0.01 0.13 0.09 -1.14 0.09 0.00 0.00 178.44 177.62 1lwk n ARG 80 N -3.47 2.84 -4.21 1.13 0.63 0.29 -4.71 116.66 109.17 1lwk n ARG 80 Ca -0.01 -1.75 -0.26 0.00 -0.92 0.00 0.00 57.85 54.91 1lwk n ARG 80 Cb 0.29 -1.87 -0.17 0.00 0.45 0.00 0.00 32.46 31.17 1lwk n ARG 80 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1lwk s ASN 81 N -0.40 2.10 0.13 6.15 3.84 -0.57 -4.93 114.94 121.27 1lwk s ASN 81 Ca 0.31 -0.33 -0.27 0.00 0.21 0.00 0.00 52.86 52.78 1lwk s ASN 81 Cb 0.24 -0.89 -0.06 0.00 -0.55 0.00 0.00 41.25 39.99 1lwk s ASN 81 CO 0.08 -0.05 1.46 0.00 -2.79 0.00 0.00 177.10 175.81 1lwk h ALA 82 N 7.66 -0.49 0.00 1.71 0.00 -1.90 0.26 119.26 126.50 1lwk h ALA 82 Ca -0.31 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1lwk h ALA 82 Cb 1.16 1.31 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1lwk h ALA 82 CO 0.45 -0.83 0.00 1.63 0.00 0.00 0.00 179.25 180.50 1lwk n LYS 83 N -4.92 0.72 0.00 0.00 4.76 -1.26 -4.34 118.16 113.12 1lwk n LYS 83 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1lwk n LYS 83 Cb 0.23 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1lwk n LYS 83 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1lwk n LYS 85 N 0.15 0.00 0.00 1.97 4.81 0.91 -4.84 118.16 121.16 1lwk n LYS 85 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1lwk n LYS 85 Cb 0.19 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.24 1lwk n LYS 85 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1lwk n PRO 86 N 0.00 0.00 0.00 1.64 -0.02 -1.26 -1.09 135.00 134.27 1lwk n PRO 86 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1lwk n PRO 86 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1lwk n PRO 86 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1lwk n TYR 88 N 0.60 0.00 0.22 6.00 9.36 -1.26 -2.59 117.16 129.49 1lwk n TYR 88 Ca 0.00 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.37 1lwk n TYR 88 Cb 0.00 0.00 0.63 0.00 -0.63 0.00 0.00 39.34 39.34 1lwk n TYR 88 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1lwk h ASP 89 N 0.00 0.00 0.00 2.98 3.32 -1.54 -3.44 116.42 117.74 1lwk h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lwk h ASP 89 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1lwk h ASP 89 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 1lwk n SER 90 N -3.07 0.02 -4.87 6.45 3.41 -1.07 -5.15 113.62 109.33 1lwk n SER 90 Ca 0.03 -1.86 -0.21 0.00 -0.26 0.00 0.00 58.87 56.57 1lwk n SER 90 Cb 0.66 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1lwk n SER 90 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1lwk s ASP 92 N -1.05 5.27 0.56 4.04 1.47 -1.26 -5.13 116.67 120.57 1lwk s ASP 92 Ca 0.00 -0.55 0.24 0.00 1.18 0.00 0.00 52.55 53.42 1lwk s ASP 92 Cb 0.00 -0.84 1.59 0.00 -0.34 0.00 0.00 42.92 43.33 1lwk s ASP 92 CO 0.00 -0.47 2.19 0.00 0.68 0.00 0.00 175.17 177.57 1lwk h ALA 93 N 1.13 1.76 0.06 2.11 0.00 -1.97 -0.89 119.26 121.46 1lwk h ALA 93 Ca -0.43 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1lwk h ALA 93 Cb 1.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1lwk h ALA 93 CO 0.57 -0.05 -0.50 0.28 0.00 0.00 0.00 179.25 179.55 1lwk h VAL 94 N 0.00 1.57 0.00 0.00 2.07 -1.99 -2.31 116.25 115.60 1lwk h VAL 94 Ca 0.02 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.09 1lwk h VAL 94 Cb 0.08 3.19 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1lwk h VAL 94 CO -0.00 0.64 -0.13 0.03 0.02 0.00 0.00 177.57 178.12 1lwk h ARG 95 N -0.71 0.00 -0.39 1.57 3.08 -1.82 0.14 114.38 116.25 1lwk h ARG 95 Ca -0.10 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1lwk h ARG 95 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1lwk h ARG 95 CO 0.05 0.13 -0.02 0.00 -1.07 0.00 0.00 179.97 179.06 1lwk h ARG 96 N 0.00 0.71 -0.74 0.04 3.08 -1.23 -2.78 114.38 113.46 1lwk h ARG 96 Ca -0.00 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.83 1lwk h ARG 96 Cb 0.47 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1lwk h ARG 96 CO 0.02 0.81 0.49 0.00 -1.07 0.00 0.00 179.97 180.21 1lwk h ALA 97 N 0.87 0.95 0.00 0.04 0.00 -0.45 -1.27 119.26 119.40 1lwk h ALA 97 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lwk h ALA 97 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lwk h ALA 97 CO 0.02 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1lwk n ALA 98 N -2.31 2.06 0.00 0.00 0.00 -0.21 -1.57 120.51 118.48 1lwk n ALA 98 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1lwk n ALA 98 Cb 0.03 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1lwk n ALA 98 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1lwk n ILE 100 N 1.32 0.00 0.00 0.00 5.41 -0.48 -4.72 119.36 120.89 1lwk n ILE 100 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1lwk n ILE 100 Cb 0.16 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 1lwk n ILE 100 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1lwk n ASN 101 N 0.00 0.00 0.00 4.38 2.85 -0.61 -0.82 115.26 121.06 1lwk n ASN 101 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1lwk n ASN 101 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1lwk n ASN 101 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1lwk n VAL 103 N -0.07 0.00 -0.01 3.44 0.31 -1.26 -0.84 118.33 119.90 1lwk n VAL 103 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1lwk n VAL 103 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1lwk n VAL 103 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1lwk h PHE 104 N 0.00 -0.06 0.00 3.52 3.57 -1.36 0.37 116.94 122.98 1lwk h PHE 104 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1lwk h PHE 104 Cb 0.00 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1lwk h PHE 104 CO 0.00 -0.05 0.00 0.94 -2.23 0.00 0.00 178.31 176.97 1lwk n GLN 105 N -5.15 0.01 -3.52 1.11 7.27 -0.02 -5.06 117.38 112.02 1lwk n GLN 105 Ca -0.04 0.41 -0.08 0.00 0.07 0.00 0.00 57.00 57.36 1lwk n GLN 105 Cb 0.08 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.21 1lwk n GLN 105 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1lwk s GLY 107 N -2.95 -0.43 0.17 1.69 0.00 0.13 -5.12 107.32 100.81 1lwk s GLY 107 Ca 0.02 1.12 -0.19 0.00 0.00 0.00 0.00 44.72 45.67 1lwk s GLY 107 CO 0.07 0.37 1.64 0.83 0.00 0.00 0.00 173.10 176.01 1lwk h GLU 108 N 2.00 -0.10 -0.12 2.90 5.08 -1.99 -1.90 114.58 120.45 1lwk h GLU 108 Ca -0.20 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1lwk h GLU 108 Cb 1.23 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1lwk h GLU 108 CO 0.29 -0.07 -0.30 1.15 -1.00 0.00 0.00 179.01 179.09 1lwk h THR 109 N -0.10 0.32 0.00 1.13 2.02 -2.04 -2.82 112.91 111.42 1lwk h THR 109 Ca 0.20 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 1lwk h THR 109 Cb 0.41 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1lwk h THR 109 CO -0.47 0.00 0.05 0.54 0.37 0.00 0.00 175.52 176.01 1lwk n ARG 110 N -5.40 0.97 0.00 6.66 1.74 -0.72 -4.34 116.66 115.57 1lwk n ARG 110 Ca -0.03 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 1lwk n ARG 110 Cb 0.31 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1lwk n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lwk n ALA 112 N 2.67 0.00 0.53 7.54 0.00 -1.07 -4.07 120.51 126.11 1lwk n ALA 112 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.75 1lwk n ALA 112 Cb 0.45 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.34 1lwk n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lwk n GLY 113 N 0.00 -1.32 0.46 0.00 0.00 -1.26 -2.66 105.19 100.40 1lwk n GLY 113 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1lwk n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1lwk n PHE 114 N -2.00 0.25 -0.23 1.61 3.01 -1.26 -4.49 117.46 114.35 1lwk n PHE 114 Ca 0.04 -0.12 -0.06 0.00 1.01 0.00 0.00 57.45 58.31 1lwk n PHE 114 Cb 0.27 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.78 1lwk n PHE 114 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lwk h THR 115 N 1.65 1.18 -0.56 4.37 1.03 -1.89 -2.63 112.91 116.06 1lwk h THR 115 Ca 0.00 -0.41 -0.05 0.00 -0.01 0.00 0.00 66.41 65.94 1lwk h THR 115 Cb 0.37 0.30 -0.03 0.00 -1.07 0.00 0.00 68.15 67.72 1lwk h THR 115 CO 0.00 0.19 0.14 0.78 -0.01 0.00 0.00 175.52 176.62 1lwk h ASN 116 N 0.87 0.81 0.00 0.00 2.35 -1.87 0.15 115.58 117.88 1lwk h ASN 116 Ca 0.23 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1lwk h ASN 116 Cb -0.03 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1lwk h ASN 116 CO -0.04 0.79 0.00 -1.20 -1.65 0.00 0.00 177.43 175.33 1lwk n SER 117 N -4.27 0.45 -1.92 5.81 7.64 -0.99 -5.00 113.62 115.34 1lwk n SER 117 Ca 0.04 -0.60 -0.10 0.00 1.01 0.00 0.00 58.87 59.22 1lwk n SER 117 Cb 0.23 -0.15 0.01 0.00 -1.01 0.00 0.00 64.21 63.29 1lwk n SER 117 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1lwk n ARG 119 N 0.47 -0.52 0.00 1.43 1.74 0.50 -4.84 116.66 115.45 1lwk n ARG 119 Ca 0.00 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1lwk n ARG 119 Cb 0.09 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1lwk n ARG 119 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1lwk n GLN 122 N -0.25 0.00 -0.15 5.56 6.02 -1.26 -4.69 117.38 122.61 1lwk n GLN 122 Ca -0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.07 1lwk n GLN 122 Cb 0.19 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.16 1lwk n GLN 122 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1lwk n GLN 123 N -1.93 2.43 -1.41 -1.09 6.02 -1.26 -4.88 117.38 115.27 1lwk n GLN 123 Ca 0.00 -2.15 -0.06 0.00 -0.01 0.00 0.00 57.00 54.77 1lwk n GLN 123 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 1lwk n GLN 123 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1lwk n LYS 124 N 1.40 -0.46 -1.78 -1.09 0.00 -1.26 -4.89 118.16 110.07 1lwk n LYS 124 Ca 0.18 0.63 -0.33 0.00 -0.00 0.00 0.00 58.31 58.79 1lwk n LYS 124 Cb 0.59 -4.42 -0.03 0.00 -0.00 0.00 0.00 35.03 31.17 1lwk n LYS 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1lwk n ARG 125 N -2.53 3.37 -0.02 -1.58 1.74 -1.26 -4.73 116.66 111.64 1lwk n ARG 125 Ca -0.07 -3.00 -0.00 0.00 -0.77 0.00 0.00 57.85 54.01 1lwk n ARG 125 Cb 0.29 -2.33 -0.00 0.00 -1.02 0.00 0.00 32.46 29.39 1lwk n ARG 125 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1lwk n TRP 126 N 0.92 -0.02 -0.29 -1.55 7.02 -1.26 0.10 117.44 122.36 1lwk n TRP 126 Ca 0.54 0.04 0.11 0.00 -1.02 0.00 0.00 57.50 57.18 1lwk n TRP 126 Cb 0.40 -0.39 0.27 0.00 -2.42 0.00 0.00 31.31 29.17 1lwk n TRP 126 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1lwk h ASP 127 N 0.00 0.10 -0.16 -0.99 3.32 -1.88 1.28 116.42 118.09 1lwk h ASP 127 Ca 0.01 0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1lwk h ASP 127 Cb 0.01 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1lwk h ASP 127 CO -0.03 -0.08 -0.27 -0.33 -1.72 0.00 0.00 179.24 176.80 1lwk h GLU 128 N 0.28 0.47 -0.48 3.56 5.08 -1.35 -1.26 114.58 120.88 1lwk h GLU 128 Ca 0.53 -0.29 0.09 0.00 -1.00 0.00 0.00 59.36 58.69 1lwk h GLU 128 Cb 1.01 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 1lwk h GLU 128 CO -0.59 0.89 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 1lwk h ALA 129 N 0.58 0.45 -0.67 3.43 0.00 0.46 0.66 119.26 124.16 1lwk h ALA 129 Ca 0.01 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1lwk h ALA 129 Cb 0.85 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1lwk h ALA 129 CO 0.06 -0.39 0.43 0.00 0.00 0.00 0.00 179.25 179.36 1lwk h ALA 130 N 1.42 0.86 0.00 0.00 0.00 0.15 -0.82 119.26 120.87 1lwk h ALA 130 Ca 0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1lwk h ALA 130 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1lwk h ALA 130 CO -0.40 0.24 -0.47 0.28 0.00 0.00 0.00 179.25 178.91 1lwk h VAL 131 N 0.87 0.92 0.00 0.00 2.07 -0.85 -3.05 116.25 116.22 1lwk h VAL 131 Ca 0.25 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1lwk h VAL 131 Cb -0.06 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1lwk h VAL 131 CO -0.07 0.46 0.00 -3.20 0.02 0.00 0.00 177.57 174.77 1lwk n ASN 132 N -3.39 0.02 0.00 0.57 5.15 0.19 -3.20 115.26 114.61 1lwk n ASN 132 Ca 0.01 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1lwk n ASN 132 Cb 0.63 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1lwk n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lwk n ALA 134 N 0.49 0.00 -2.35 5.20 0.00 -1.16 -4.42 120.51 118.28 1lwk n ALA 134 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1lwk n ALA 134 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1lwk n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lwk n LYS 135 N 0.00 3.21 -3.66 0.00 5.02 -1.19 -4.56 118.16 116.98 1lwk n LYS 135 Ca 0.00 -3.23 -0.14 0.00 -2.02 0.00 0.00 58.31 52.91 1lwk n LYS 135 Cb 0.00 -3.24 -0.07 0.00 -0.02 0.00 0.00 35.03 31.70 1lwk n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1lwk s SER 136 N 2.99 -0.35 0.28 4.39 1.04 -1.26 -4.97 113.70 115.82 1lwk s SER 136 Ca 0.47 0.22 0.01 0.00 0.48 0.00 0.00 55.95 57.14 1lwk s SER 136 Cb 0.07 0.42 0.64 0.00 0.10 0.00 0.00 66.02 67.24 1lwk s SER 136 CO -0.00 -0.57 1.72 -0.09 0.98 0.00 0.00 173.24 175.28 1lwk h ARG 137 N 3.31 0.46 0.38 4.02 9.65 -1.98 0.03 114.38 130.25 1lwk h ARG 137 Ca -0.30 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.54 1lwk h ARG 137 Cb 1.18 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1lwk h ARG 137 CO 0.41 0.31 -0.20 2.35 2.80 0.00 0.00 179.97 185.64 1lwk h TRP 138 N 0.48 -0.52 -0.94 2.20 7.01 -1.94 -1.41 115.95 120.84 1lwk h TRP 138 Ca 0.51 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.75 1lwk h TRP 138 Cb 0.89 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 28.07 1lwk h TRP 138 CO -0.13 -0.31 0.65 -0.92 -2.79 0.00 0.00 178.44 174.94 1lwk h TYR 139 N -0.53 0.25 -0.18 2.65 3.20 -1.78 -2.71 116.97 117.87 1lwk h TYR 139 Ca -0.05 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.71 1lwk h TYR 139 Cb 0.41 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1lwk h TYR 139 CO 0.10 0.05 -0.40 -0.91 -1.64 0.00 0.00 178.16 175.36 1lwk h ASN 140 N 0.17 0.43 1.19 -2.11 2.35 -0.11 -1.87 115.58 115.63 1lwk h ASN 140 Ca 0.47 -0.18 -0.16 0.00 -0.55 0.00 0.00 56.30 55.88 1lwk h ASN 140 Cb 1.56 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.78 1lwk h ASN 140 CO -0.10 0.79 -0.83 1.56 -1.65 0.00 0.00 177.43 177.20 1lwk h GLN 141 N 0.34 0.00 -1.98 0.81 1.08 -0.97 -3.41 115.11 110.98 1lwk h GLN 141 Ca 0.03 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.76 1lwk h GLN 141 Cb 0.85 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 27.96 1lwk h GLN 141 CO 0.07 0.64 -0.85 0.25 -0.95 0.00 0.00 178.83 177.98 1lwk n THR 142 N -3.22 -0.89 -0.07 -0.54 -2.24 -1.12 -4.96 114.28 101.23 1lwk n THR 142 Ca -0.01 -2.81 -0.10 0.00 -2.27 0.00 0.00 64.05 58.87 1lwk n THR 142 Cb 0.83 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1lwk n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1lwk h PRO 143 N 5.40 0.36 -0.05 -0.78 0.13 -1.58 0.24 132.00 135.72 1lwk h PRO 143 Ca 0.21 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1lwk h PRO 143 Cb 0.96 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1lwk h PRO 143 CO 0.28 0.30 0.03 -0.91 -0.23 0.00 0.00 178.00 177.47 1lwk h ASN 144 N 0.32 0.07 -0.29 1.44 4.21 -1.93 0.68 115.58 120.08 1lwk h ASN 144 Ca 0.09 -0.11 -0.18 0.00 1.21 0.00 0.00 56.30 57.31 1lwk h ASN 144 Cb 0.04 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1lwk h ASN 144 CO -0.02 0.16 -0.52 0.08 -1.29 0.00 0.00 177.43 175.84 1lwk h ARG 145 N -0.03 0.86 -0.50 0.81 0.11 -1.94 -2.89 114.38 110.80 1lwk h ARG 145 Ca 0.02 -0.54 -0.04 0.00 0.10 0.00 0.00 59.98 59.52 1lwk h ARG 145 Cb 0.11 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 1lwk h ARG 145 CO -0.00 1.18 0.15 0.00 0.10 0.00 0.00 179.97 181.39 1lwk h ALA 146 N 0.68 1.33 -0.89 0.08 0.00 -0.38 -1.11 119.26 118.97 1lwk h ALA 146 Ca 0.02 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1lwk h ALA 146 Cb 1.13 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1lwk h ALA 146 CO 0.12 0.49 0.57 -0.22 0.00 0.00 0.00 179.25 180.20 1lwk h LYS 147 N 0.72 1.05 -0.33 0.00 3.64 0.42 -0.06 116.57 122.02 1lwk h LYS 147 Ca 0.17 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1lwk h LYS 147 Cb 0.22 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1lwk h LYS 147 CO -0.01 0.70 0.11 0.00 -2.27 0.00 0.00 179.45 177.97 1lwk h ARG 148 N 1.08 0.50 -0.40 1.90 3.08 -1.11 -0.69 114.38 118.75 1lwk h ARG 148 Ca 0.36 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 60.19 1lwk h ARG 148 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1lwk h ARG 148 CO -0.13 0.53 -0.21 0.28 -1.07 0.00 0.00 179.97 179.37 1lwk h VAL 149 N 0.37 1.27 0.14 2.04 2.07 -0.61 -1.57 116.25 119.96 1lwk h VAL 149 Ca 0.11 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1lwk h VAL 149 Cb 0.24 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1lwk h VAL 149 CO -0.00 0.44 -0.07 0.40 0.02 0.00 0.00 177.57 178.36 1lwk h ILE 150 N 0.69 0.99 -1.01 4.57 2.04 -0.91 -2.37 117.51 121.51 1lwk h ILE 150 Ca 0.10 -0.58 0.24 0.00 1.00 0.00 0.00 64.86 65.62 1lwk h ILE 150 Cb 0.72 1.35 -0.10 0.00 -0.74 0.00 0.00 36.82 38.05 1lwk h ILE 150 CO 0.06 0.14 0.64 0.74 0.00 0.00 0.00 178.15 179.72 1lwk h THR 151 N -0.46 0.58 0.00 -0.27 2.02 -1.06 0.37 112.91 114.08 1lwk h THR 151 Ca -0.02 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1lwk h THR 151 Cb 0.37 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1lwk h THR 151 CO 0.03 0.09 0.00 0.41 0.37 0.00 0.00 175.52 176.42 1lwk n THR 152 N -4.69 0.00 0.00 3.16 -1.04 -0.60 -1.16 114.28 109.95 1lwk n THR 152 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1lwk n THR 152 Cb 0.77 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1lwk n THR 152 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1lwk n ARG 154 N 0.22 0.00 0.01 -2.82 0.63 0.13 -1.50 116.66 113.34 1lwk n ARG 154 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 1lwk n ARG 154 Cb 0.03 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.89 1lwk n ARG 154 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1lwk n THR 155 N 0.00 0.10 -1.21 5.15 -2.24 -0.31 -4.84 114.28 110.93 1lwk n THR 155 Ca 0.00 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.46 1lwk n THR 155 Cb 0.00 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 1lwk n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lwk n GLY 156 N 1.37 0.85 3.41 3.38 0.00 -0.56 -4.98 105.19 108.66 1lwk n GLY 156 Ca 0.01 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1lwk n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lwk n THR 157 N -2.55 0.00 -0.30 2.61 -2.24 -1.25 -4.82 114.28 105.73 1lwk n THR 157 Ca -0.07 -2.36 0.09 0.00 -2.27 0.00 0.00 64.05 59.44 1lwk n THR 157 Cb 0.36 0.71 0.25 0.00 -2.10 0.00 0.00 70.33 69.54 1lwk n THR 157 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1lwk n TRP 158 N -1.03 0.76 -0.25 4.78 5.03 -1.26 -4.61 117.44 120.86 1lwk n TRP 158 Ca -0.11 -0.51 0.28 0.00 3.03 0.00 0.00 57.50 60.19 1lwk n TRP 158 Cb 0.62 -0.02 0.67 0.00 -1.03 0.00 0.00 31.31 31.54 1lwk n TRP 158 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 1lwk h ASP 159 N 3.23 0.13 1.04 -0.99 3.32 -1.97 0.60 116.42 121.77 1lwk h ASP 159 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1lwk h ASP 159 Cb 0.89 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1lwk h ASP 159 CO 0.01 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1lwk n ALA 160 N -2.66 2.26 0.51 3.45 0.00 -1.26 -1.95 120.51 120.86 1lwk n ALA 160 Ca 0.22 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1lwk n ALA 160 Cb 0.99 -1.45 0.15 0.00 0.00 0.00 0.00 19.45 19.14 1lwk n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1lwk n TYR 161 N -1.64 0.27 1.45 0.00 4.02 0.21 -4.98 117.16 116.48 1lwk n TYR 161 Ca 0.06 -0.15 0.14 0.00 -0.01 0.00 0.00 57.90 57.94 1lwk n TYR 161 Cb 0.34 -0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.14 1lwk n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02