#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l58 s ASN 2 N 0.00 0.93 0.27 6.12 2.20 -1.26 -5.04 114.94 118.16 1l58 s ASN 2 Ca 0.00 -1.51 -0.00 0.00 -0.94 0.00 0.00 52.86 50.40 1l58 s ASN 2 Cb 0.00 0.56 0.52 0.00 -2.00 0.00 0.00 41.25 40.33 1l58 s ASN 2 CO 0.00 -1.11 1.82 -0.29 -2.94 0.00 0.00 177.10 174.58 1l58 h ILE 3 N 2.24 0.89 -0.28 0.54 6.09 -1.99 -1.13 117.51 123.88 1l58 h ILE 3 Ca -0.29 -0.31 -0.05 0.00 -1.37 0.00 0.00 64.86 62.84 1l58 h ILE 3 Cb 1.24 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.43 1l58 h ILE 3 CO 0.41 0.16 -0.03 -0.26 -3.07 0.00 0.00 178.15 175.36 1l58 h PHE 4 N 0.90 0.57 -0.46 2.19 -1.00 -1.98 -0.67 116.94 116.48 1l58 h PHE 4 Ca 0.47 -0.11 -0.06 0.00 2.81 0.00 0.00 57.97 61.08 1l58 h PHE 4 Cb 0.48 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 1l58 h PHE 4 CO -0.03 0.69 0.03 0.93 -1.61 0.00 0.00 178.31 178.32 1l58 h GLU 5 N 0.29 0.74 0.06 1.51 5.08 -1.92 0.31 114.58 120.66 1l58 h GLU 5 Ca 0.08 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1l58 h GLU 5 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1l58 h GLU 5 CO 0.02 0.74 -0.03 1.98 -1.00 0.00 0.00 179.01 180.72 1l58 h MET 6 N 0.70 -0.07 0.00 2.33 4.05 -1.05 -2.21 114.93 118.68 1l58 h MET 6 Ca 0.14 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.47 1l58 h MET 6 Cb 0.39 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1l58 h MET 6 CO 0.01 0.12 -0.46 -0.07 0.23 0.00 0.00 176.91 176.75 1l58 h LEU 7 N -0.26 0.00 -1.33 3.39 3.38 -1.04 -2.19 115.31 117.25 1l58 h LEU 7 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1l58 h LEU 7 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1l58 h LEU 7 CO 0.01 0.46 -0.27 -0.09 0.09 0.00 0.00 178.44 178.64 1l58 h ARG 8 N 0.00 0.10 -0.14 1.13 9.65 -0.78 0.33 114.38 124.67 1l58 h ARG 8 Ca -0.00 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 1l58 h ARG 8 Cb 0.83 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1l58 h ARG 8 CO 0.06 0.37 -0.30 0.82 2.80 0.00 0.00 179.97 183.72 1l58 h ILE 9 N 0.09 1.37 -0.09 1.20 2.04 -0.92 -2.16 117.51 119.04 1l58 h ILE 9 Ca 0.01 -1.57 -0.13 0.00 1.00 0.00 0.00 64.86 64.17 1l58 h ILE 9 Cb 0.53 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1l58 h ILE 9 CO 0.04 0.47 -0.53 0.44 0.00 0.00 0.00 178.15 178.56 1l58 h ASP 10 N 0.05 0.29 0.01 1.72 3.32 -1.14 -3.33 116.42 117.34 1l58 h ASP 10 Ca 0.00 -0.15 -0.31 0.00 0.02 0.00 0.00 57.03 56.59 1l58 h ASP 10 Cb 0.90 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.31 1l58 h ASP 10 CO 0.07 0.77 -2.31 -0.62 -1.72 0.00 0.00 179.24 175.42 1l58 n GLU 11 N -3.93 0.68 -0.02 3.56 -0.58 0.08 -5.06 120.64 115.37 1l58 n GLU 11 Ca -0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1l58 n GLU 11 Cb 0.57 -1.53 -0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1l58 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1l58 n GLY 12 N 1.67 -2.20 2.83 0.62 0.00 -0.81 -4.48 105.19 102.82 1l58 n GLY 12 Ca -0.28 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1l58 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1l58 s LEU 13 N 0.00 0.94 -0.04 0.99 2.96 -1.26 -4.25 118.68 118.01 1l58 s LEU 13 Ca 0.00 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1l58 s LEU 13 Cb 0.00 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 46.04 1l58 s LEU 13 CO 0.00 -0.17 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.59 1l58 s ARG 14 N 1.83 1.56 0.00 1.98 0.52 -0.45 -4.99 118.95 119.41 1l58 s ARG 14 Ca 0.04 -0.49 0.25 0.00 -0.52 0.00 0.00 55.73 55.01 1l58 s ARG 14 Cb -0.13 -1.36 0.41 0.00 0.52 0.00 0.00 34.95 34.39 1l58 s ARG 14 CO -0.07 0.16 1.37 1.28 0.02 0.00 0.00 175.30 178.06 1l58 n LEU 15 N 3.32 2.16 -4.32 2.53 4.77 -1.26 -0.08 117.00 124.13 1l58 n LEU 15 Ca -0.19 -0.73 -0.25 0.00 -0.03 0.00 0.00 56.01 54.81 1l58 n LEU 15 Cb 0.53 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1l58 n LEU 15 CO 0.25 0.37 -0.53 -0.75 -1.33 0.00 0.00 177.39 175.40 1l58 s LYS 16 N -2.19 1.20 0.19 3.23 2.47 -1.26 -1.54 119.74 121.85 1l58 s LYS 16 Ca 0.27 -1.21 -0.32 0.00 -1.56 0.00 0.00 55.97 53.14 1l58 s LYS 16 Cb 0.20 -1.54 -0.15 0.00 -1.46 0.00 0.00 37.83 34.88 1l58 s LYS 16 CO 0.40 0.36 1.32 -0.89 0.16 0.00 0.00 175.35 176.70 1l58 n ILE 17 N 1.04 0.77 -4.20 5.43 5.41 -0.84 -4.73 119.36 122.25 1l58 n ILE 17 Ca -0.19 -0.19 -0.12 0.00 1.00 0.00 0.00 62.75 63.24 1l58 n ILE 17 Cb 0.53 -1.17 -0.10 0.00 -0.71 0.00 0.00 39.64 38.19 1l58 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1l58 s TYR 18 N 0.01 1.17 -0.17 1.39 -0.85 0.66 -4.96 117.35 114.60 1l58 s TYR 18 Ca 0.72 -1.38 -0.08 0.00 -0.52 0.00 0.00 57.07 55.81 1l58 s TYR 18 Cb -0.76 -0.56 -0.04 0.00 0.38 0.00 0.00 41.96 40.98 1l58 s TYR 18 CO 0.49 -0.65 0.09 0.15 -1.52 0.00 0.00 175.55 174.12 1l58 s LYS 19 N -4.15 3.86 0.66 -3.49 1.02 -1.26 -0.37 119.74 116.01 1l58 s LYS 19 Ca 0.39 -0.27 -0.11 0.00 0.02 0.00 0.00 55.97 56.00 1l58 s LYS 19 Cb 0.07 -3.24 0.15 0.00 -0.52 0.00 0.00 37.83 34.29 1l58 s LYS 19 CO 0.12 0.42 0.80 -0.40 -0.92 0.00 0.00 175.35 175.37 1l58 n ASP 20 N 3.11 -0.37 -0.07 2.83 3.85 0.16 -4.82 116.55 121.24 1l58 n ASP 20 Ca -0.17 -1.21 0.09 0.00 -0.71 0.00 0.00 54.79 52.79 1l58 n ASP 20 Cb 0.53 -0.64 0.46 0.00 -1.35 0.00 0.00 41.12 40.12 1l58 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1l58 h THR 21 N -1.68 0.97 -0.12 2.12 1.35 -1.99 -0.26 112.91 113.30 1l58 h THR 21 Ca -0.27 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1l58 h THR 21 Cb 0.76 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1l58 h THR 21 CO 0.19 0.09 0.00 -0.62 -0.25 0.00 0.00 175.52 174.93 1l58 n GLU 22 N -4.47 1.52 -0.62 4.72 -0.58 -1.26 -4.91 120.64 115.04 1l58 n GLU 22 Ca 0.08 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 56.03 1l58 n GLU 22 Cb 0.26 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1l58 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1l58 n GLY 23 N 1.03 0.75 3.87 0.62 0.00 -0.11 -5.04 105.19 106.30 1l58 n GLY 23 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1l58 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1l58 s TYR 24 N -2.58 3.43 -0.08 1.61 4.12 -1.26 -4.61 117.35 117.98 1l58 s TYR 24 Ca 0.00 0.99 -0.30 0.00 0.02 0.00 0.00 57.07 57.78 1l58 s TYR 24 Cb 0.00 -2.37 -0.04 0.00 -1.52 0.00 0.00 41.96 38.03 1l58 s TYR 24 CO 0.00 0.10 1.49 0.71 0.02 0.00 0.00 175.55 177.87 1l58 s TYR 25 N -2.06 2.41 0.09 2.71 4.12 -1.20 0.39 117.35 123.82 1l58 s TYR 25 Ca 0.50 0.56 0.00 0.00 0.02 0.00 0.00 57.07 58.15 1l58 s TYR 25 Cb -0.11 -3.74 -0.04 0.00 -1.52 0.00 0.00 41.96 36.55 1l58 s TYR 25 CO 0.24 -2.93 -0.03 0.99 0.02 0.00 0.00 175.55 173.84 1l58 s THR 26 N 3.55 0.42 0.12 -0.71 2.01 0.50 0.04 115.64 121.58 1l58 s THR 26 Ca 0.66 -1.88 -0.12 0.00 0.31 0.00 0.00 61.69 60.65 1l58 s THR 26 Cb -0.29 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.53 1l58 s THR 26 CO 0.24 -0.84 0.31 -0.51 -0.69 0.00 0.00 174.62 173.14 1l58 s ILE 27 N -3.80 0.09 0.00 1.82 2.07 -0.68 -0.24 121.20 120.46 1l58 s ILE 27 Ca 0.12 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 1l58 s ILE 27 Cb 0.07 -1.37 0.00 0.00 0.13 0.00 0.00 42.46 41.29 1l58 s ILE 27 CO -0.05 -0.43 0.00 0.61 -1.91 0.00 0.00 174.94 173.16 1l58 n GLY 28 N -0.17 2.81 3.20 1.50 0.00 0.89 -1.29 105.19 112.12 1l58 n GLY 28 Ca -0.14 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 1l58 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1l58 n ILE 29 N 0.00 4.78 -1.91 -0.61 5.41 -1.26 -1.34 119.36 124.44 1l58 n ILE 29 Ca 0.00 -5.41 -0.15 0.00 1.00 0.00 0.00 62.75 58.19 1l58 n ILE 29 Cb 0.00 -2.38 -0.03 0.00 -0.71 0.00 0.00 39.64 36.52 1l58 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1l58 n GLY 30 N 2.39 0.55 3.53 7.39 0.00 -1.25 -4.90 105.19 112.89 1l58 n GLY 30 Ca 0.28 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1l58 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1l58 s HIS 31 N -2.67 2.70 0.25 1.61 5.04 -0.41 -4.92 115.29 116.89 1l58 s HIS 31 Ca 0.00 -0.01 -0.30 0.00 -1.54 0.00 0.00 55.06 53.21 1l58 s HIS 31 Cb 0.00 -4.23 -0.11 0.00 0.04 0.00 0.00 32.58 28.28 1l58 s HIS 31 CO 0.00 -1.49 1.56 -1.17 -2.34 0.00 0.00 174.74 171.30 1l58 s LEU 32 N 4.29 4.36 -0.27 8.88 2.96 -1.26 -1.69 118.68 135.95 1l58 s LEU 32 Ca 0.32 2.80 -0.15 0.00 -0.22 0.00 0.00 54.13 56.89 1l58 s LEU 32 Cb -0.12 -3.62 -0.13 0.00 0.50 0.00 0.00 46.19 42.82 1l58 s LEU 32 CO 0.19 -0.85 -0.27 0.18 -1.32 0.00 0.00 176.35 174.28 1l58 n LEU 33 N 2.74 1.96 -3.50 -0.68 4.77 0.11 -4.94 117.00 117.46 1l58 n LEU 33 Ca 0.10 0.34 -0.17 0.00 -0.03 0.00 0.00 56.01 56.25 1l58 n LEU 33 Cb 0.38 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.58 1l58 n LEU 33 CO 0.62 0.54 0.42 0.28 -1.33 0.00 0.00 177.39 177.93 1l58 s THR 34 N -2.49 0.00 -0.94 -5.08 -1.32 -1.14 -4.95 115.64 99.72 1l58 s THR 34 Ca -0.37 -0.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.35 1l58 s THR 34 Cb 0.14 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.17 1l58 s THR 34 CO 0.51 -0.00 1.47 0.29 -2.21 0.00 0.00 174.62 174.68 1l58 n LYS 35 N 0.62 0.05 -1.88 7.08 5.02 -1.26 -3.22 118.16 124.56 1l58 n LYS 35 Ca -0.19 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.71 1l58 n LYS 35 Cb 0.59 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 1l58 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1l58 s SER 36 N -3.20 6.43 0.13 4.39 0.15 -1.26 -4.89 113.70 115.46 1l58 s SER 36 Ca 0.11 2.96 0.18 0.00 0.70 0.00 0.00 55.95 59.89 1l58 s SER 36 Cb 0.17 -2.66 0.78 0.00 -1.71 0.00 0.00 66.02 62.60 1l58 s SER 36 CO 0.68 -0.80 1.56 -0.81 1.20 0.00 0.00 173.24 175.07 1l58 n PRO 37 N 0.52 0.10 -3.07 5.44 -0.04 -1.26 -4.72 135.00 131.97 1l58 n PRO 37 Ca 0.01 0.36 -0.40 0.00 -0.04 0.00 0.00 63.50 63.43 1l58 n PRO 37 Cb 0.40 -1.69 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1l58 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1l58 s SER 38 N -3.62 6.85 0.49 3.54 0.15 -1.26 -4.90 113.70 114.95 1l58 s SER 38 Ca 0.05 1.03 0.22 0.00 0.70 0.00 0.00 55.95 57.95 1l58 s SER 38 Cb 0.09 -2.39 1.27 0.00 -1.71 0.00 0.00 66.02 63.28 1l58 s SER 38 CO 0.31 -0.21 2.03 0.25 1.20 0.00 0.00 173.24 176.82 1l58 h LEU 39 N 7.52 0.00 -0.11 3.45 5.85 -1.99 -1.39 115.31 128.65 1l58 h LEU 39 Ca -0.36 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 1l58 h LEU 39 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1l58 h LEU 39 CO 0.78 0.15 -0.36 0.78 -0.34 0.00 0.00 178.44 179.45 1l58 h ASN 40 N 0.00 0.50 -0.98 1.25 2.35 -1.97 -0.42 115.58 116.30 1l58 h ASN 40 Ca -0.00 -0.61 0.10 0.00 -0.55 0.00 0.00 56.30 55.24 1l58 h ASN 40 Cb 0.34 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 38.49 1l58 h ASN 40 CO 0.02 1.03 0.63 0.00 -1.65 0.00 0.00 177.43 177.45 1l58 h ALA 41 N 0.49 1.53 -0.24 -0.83 0.00 -1.76 -0.53 119.26 117.90 1l58 h ALA 41 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1l58 h ALA 41 Cb 0.99 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1l58 h ALA 41 CO 0.08 0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.66 1l58 h ALA 42 N 1.52 0.32 0.00 0.00 0.00 -1.04 -1.86 119.26 118.20 1l58 h ALA 42 Ca 0.47 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1l58 h ALA 42 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1l58 h ALA 42 CO -0.22 -0.05 -0.33 0.87 0.00 0.00 0.00 179.25 179.52 1l58 h LYS 43 N 0.22 0.00 -0.17 0.00 1.57 -0.39 -0.66 116.57 117.14 1l58 h LYS 43 Ca 0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1l58 h LYS 43 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1l58 h LYS 43 CO -0.00 0.33 -0.23 1.03 -0.57 0.00 0.00 179.45 180.00 1l58 h SER 44 N 0.00 0.50 -0.70 0.86 0.87 -0.94 -2.07 113.55 112.06 1l58 h SER 44 Ca -0.00 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 1l58 h SER 44 Cb 0.59 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1l58 h SER 44 CO 0.04 0.91 0.38 -0.33 -0.53 0.00 0.00 176.83 177.31 1l58 h GLU 45 N 0.10 0.98 -0.07 2.24 4.39 -1.07 -2.06 114.58 119.09 1l58 h GLU 45 Ca 0.02 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1l58 h GLU 45 Cb 0.80 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1l58 h GLU 45 CO 0.05 0.74 -0.07 1.25 -1.16 0.00 0.00 179.01 179.83 1l58 h LEU 46 N 0.97 -0.20 -1.11 1.33 5.85 -1.04 0.20 115.31 121.31 1l58 h LEU 46 Ca 0.25 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.03 1l58 h LEU 46 Cb 0.04 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1l58 h LEU 46 CO -0.04 -0.09 0.60 0.44 -0.34 0.00 0.00 178.44 179.01 1l58 h ASP 47 N -0.08 1.02 -0.34 1.25 3.32 -1.24 -0.45 116.42 119.89 1l58 h ASP 47 Ca 0.05 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1l58 h ASP 47 Cb 0.16 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1l58 h ASP 47 CO -0.12 0.71 0.09 0.50 -1.72 0.00 0.00 179.24 178.70 1l58 h LYS 48 N 1.19 0.53 -0.27 3.56 3.64 -0.87 0.18 116.57 124.53 1l58 h LYS 48 Ca 0.35 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1l58 h LYS 48 Cb -0.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1l58 h LYS 48 CO -0.09 0.58 -0.17 0.00 -2.27 0.00 0.00 179.45 177.49 1l58 h ALA 49 N 0.93 1.22 0.00 5.00 0.00 -0.06 -3.28 119.26 123.07 1l58 h ALA 49 Ca 0.11 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1l58 h ALA 49 Cb 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1l58 h ALA 49 CO -0.00 0.51 -1.78 -0.89 0.00 0.00 0.00 179.25 177.09 1l58 n ILE 50 N -4.18 1.28 -0.59 0.00 2.08 -0.23 -4.98 119.36 112.74 1l58 n ILE 50 Ca 0.00 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.56 1l58 n ILE 50 Cb 0.35 -0.71 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 1l58 n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1l58 n GLY 51 N 1.52 0.66 3.30 7.39 0.00 0.60 -5.04 105.19 113.63 1l58 n GLY 51 Ca -0.17 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1l58 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1l58 s ARG 52 N -0.88 1.14 -0.56 1.61 1.70 -1.13 -5.05 118.95 115.77 1l58 s ARG 52 Ca 0.00 -1.27 -0.26 0.00 -0.47 0.00 0.00 55.73 53.72 1l58 s ARG 52 Cb 0.00 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.76 1l58 s ARG 52 CO 0.00 -0.40 1.06 -0.80 -1.08 0.00 0.00 175.30 174.08 1l58 s ASN 53 N -3.00 6.40 -0.01 -2.89 -0.87 -1.26 -4.28 114.94 109.02 1l58 s ASN 53 Ca 0.21 -0.12 0.22 0.00 -1.57 0.00 0.00 52.86 51.60 1l58 s ASN 53 Cb 0.04 -2.49 -0.30 0.00 -0.02 0.00 0.00 41.25 38.48 1l58 s ASN 53 CO 0.02 -1.34 0.59 0.00 -2.57 0.00 0.00 177.10 173.80 1l58 n ASN 55 N -2.12 -0.94 0.00 0.00 5.15 -1.26 -1.85 115.26 114.24 1l58 n ASN 55 Ca -0.02 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 1l58 n ASN 55 Cb 0.52 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.42 1l58 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1l58 n GLY 56 N -1.85 0.20 2.94 8.20 0.00 -1.26 -4.99 105.19 108.42 1l58 n GLY 56 Ca -0.29 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1l58 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l58 s VAL 57 N -1.42 0.35 0.25 1.61 1.01 -0.77 -1.98 120.40 119.45 1l58 s VAL 57 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1l58 s VAL 57 Cb 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1l58 s VAL 57 CO 0.00 0.11 0.03 0.27 0.00 0.00 0.00 175.10 175.50 1l58 s ILE 58 N -0.03 0.97 0.52 2.22 -4.36 -0.59 -4.76 121.20 115.17 1l58 s ILE 58 Ca 0.01 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 1l58 s ILE 58 Cb -0.03 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1l58 s ILE 58 CO -0.00 -0.21 0.77 0.42 0.24 0.00 0.00 174.94 176.16 1l58 s THR 59 N -3.47 3.56 0.18 8.37 -4.23 -1.26 -4.79 115.64 114.02 1l58 s THR 59 Ca 0.32 -0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.31 1l58 s THR 59 Cb 0.07 -3.35 0.09 0.00 1.34 0.00 0.00 72.50 70.64 1l58 s THR 59 CO 0.11 -0.28 1.75 0.50 -0.54 0.00 0.00 174.62 176.16 1l58 h LYS 60 N 0.14 0.36 -0.78 3.99 3.64 -1.99 -1.17 116.57 120.76 1l58 h LYS 60 Ca -0.45 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.00 1l58 h LYS 60 Cb 1.27 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 1l58 h LYS 60 CO 0.57 0.24 0.43 -0.44 -2.27 0.00 0.00 179.45 177.98 1l58 h ASP 61 N 0.37 0.61 -0.58 4.20 3.32 -1.98 -0.66 116.42 121.70 1l58 h ASP 61 Ca 0.24 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 1l58 h ASP 61 Cb 0.24 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1l58 h ASP 61 CO -0.23 0.36 0.01 -0.33 -1.72 0.00 0.00 179.24 177.33 1l58 h GLU 62 N 0.74 1.03 -0.74 3.56 5.08 -1.78 -0.48 114.58 121.99 1l58 h GLU 62 Ca 0.37 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1l58 h GLU 62 Cb 0.33 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1l58 h GLU 62 CO -0.24 1.00 0.27 0.00 -1.00 0.00 0.00 179.01 179.04 1l58 h ALA 63 N 1.05 0.96 -0.03 3.43 0.00 -0.43 -1.83 119.26 122.42 1l58 h ALA 63 Ca 0.17 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1l58 h ALA 63 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1l58 h ALA 63 CO 0.03 0.61 -0.67 0.93 0.00 0.00 0.00 179.25 180.15 1l58 h GLU 64 N 1.08 0.13 -0.18 0.00 5.08 -0.92 -1.37 114.58 118.40 1l58 h GLU 64 Ca 0.24 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1l58 h GLU 64 Cb 0.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1l58 h GLU 64 CO -0.01 0.76 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.51 1l58 h LYS 65 N 0.09 0.34 -0.92 2.33 3.64 -0.79 -1.34 116.57 119.92 1l58 h LYS 65 Ca -0.01 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1l58 h LYS 65 Cb 1.20 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1l58 h LYS 65 CO 0.10 0.57 0.60 -0.07 -2.27 0.00 0.00 179.45 178.38 1l58 h LEU 66 N 0.07 0.95 -0.17 5.20 3.38 -1.26 -1.80 115.31 121.68 1l58 h LEU 66 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1l58 h LEU 66 Cb 0.44 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1l58 h LEU 66 CO 0.01 0.63 0.08 0.15 0.09 0.00 0.00 178.44 179.40 1l58 h PHE 67 N 1.09 0.25 -0.97 1.13 -0.00 -1.04 0.29 116.94 117.69 1l58 h PHE 67 Ca 0.38 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.37 1l58 h PHE 67 Cb 0.12 -0.08 -0.06 0.00 -0.00 0.00 0.00 35.95 35.94 1l58 h PHE 67 CO -0.00 0.29 0.63 -0.91 -0.00 0.00 0.00 178.31 178.32 1l58 h ASN 68 N 0.14 1.05 -0.54 0.41 -0.26 -0.87 -0.93 115.58 114.59 1l58 h ASN 68 Ca 0.06 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.74 1l58 h ASN 68 Cb 0.14 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1l58 h ASN 68 CO -0.01 0.72 0.16 1.56 -1.06 0.00 0.00 177.43 178.80 1l58 h GLN 69 N 1.22 0.84 -0.65 0.81 4.20 -0.85 -2.32 115.11 118.36 1l58 h GLN 69 Ca 0.39 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1l58 h GLN 69 Cb 0.00 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1l58 h GLN 69 CO -0.12 0.78 0.07 -0.44 -0.67 0.00 0.00 178.83 178.45 1l58 h ASP 70 N 0.75 1.06 -0.28 1.46 3.32 -0.37 -1.30 116.42 121.06 1l58 h ASP 70 Ca 0.17 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1l58 h ASP 70 Cb 0.30 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1l58 h ASP 70 CO -0.00 1.07 -0.06 0.58 -1.72 0.00 0.00 179.24 179.10 1l58 h VAL 71 N 1.02 1.28 -0.50 -1.35 2.07 -1.13 0.35 116.25 117.98 1l58 h VAL 71 Ca 0.19 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1l58 h VAL 71 Cb 0.48 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1l58 h VAL 71 CO 0.02 0.35 0.31 -0.78 0.02 0.00 0.00 177.57 177.49 1l58 h ASP 72 N 0.31 0.52 -0.61 0.57 1.82 -1.36 -1.17 116.42 116.51 1l58 h ASP 72 Ca 0.07 -0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1l58 h ASP 72 Cb 0.54 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 1l58 h ASP 72 CO 0.03 0.37 0.15 0.00 -1.61 0.00 0.00 179.24 178.18 1l58 h ALA 73 N 1.21 1.06 0.04 -0.78 0.00 -1.08 -0.43 119.26 119.28 1l58 h ALA 73 Ca 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1l58 h ALA 73 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1l58 h ALA 73 CO -0.07 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.78 1l58 h ALA 74 N 1.20 -0.05 -0.19 0.00 0.00 -0.38 0.96 119.26 120.81 1l58 h ALA 74 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1l58 h ALA 74 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1l58 h ALA 74 CO 0.00 -0.49 0.07 0.28 0.00 0.00 0.00 179.25 179.11 1l58 h VAL 75 N -0.12 0.96 -0.65 0.00 2.07 -0.99 -1.60 116.25 115.93 1l58 h VAL 75 Ca -0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1l58 h VAL 75 Cb 0.11 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1l58 h VAL 75 CO 0.01 0.03 0.40 0.03 0.02 0.00 0.00 177.57 178.05 1l58 h ARG 76 N 0.16 0.87 -0.28 1.57 3.08 -1.03 -1.84 114.38 116.91 1l58 h ARG 76 Ca 0.08 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1l58 h ARG 76 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1l58 h ARG 76 CO -0.08 0.60 0.09 0.78 -1.07 0.00 0.00 179.97 180.30 1l58 h GLY 77 N 0.92 0.48 0.69 0.04 0.00 -0.42 -2.12 103.07 102.65 1l58 h GLY 77 Ca 0.23 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1l58 h GLY 77 CO -0.05 0.26 0.25 -2.22 0.00 0.00 0.00 176.54 174.79 1l58 h ILE 78 N 0.30 0.94 0.00 2.60 2.04 -0.87 -1.90 117.51 120.61 1l58 h ILE 78 Ca 0.09 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1l58 h ILE 78 Cb 0.25 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1l58 h ILE 78 CO -0.00 0.09 -0.08 -0.07 0.00 0.00 0.00 178.15 178.09 1l58 h LEU 79 N 0.49 0.00 -0.03 1.44 3.38 -1.10 -1.88 115.31 117.61 1l58 h LEU 79 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1l58 h LEU 79 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1l58 h LEU 79 CO -0.17 0.08 -0.78 0.54 0.09 0.00 0.00 178.44 178.20 1l58 n ARG 80 N -3.35 0.04 -3.37 1.13 1.74 -0.82 -4.80 116.66 107.23 1l58 n ARG 80 Ca -0.01 -0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.67 1l58 n ARG 80 Cb 0.26 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 1l58 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1l58 s ASN 81 N -2.98 6.68 0.51 0.55 3.84 -0.74 -4.96 114.94 117.84 1l58 s ASN 81 Ca 0.10 0.81 0.29 0.00 0.21 0.00 0.00 52.86 54.27 1l58 s ASN 81 Cb 0.17 -2.27 0.98 0.00 -0.55 0.00 0.00 41.25 39.58 1l58 s ASN 81 CO 0.79 0.07 1.84 0.00 -2.79 0.00 0.00 177.10 177.01 1l58 h ALA 82 N 6.35 1.00 0.02 1.71 0.00 -1.91 -0.68 119.26 125.75 1l58 h ALA 82 Ca -0.43 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 1l58 h ALA 82 Cb 1.18 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1l58 h ALA 82 CO 0.73 0.01 -1.64 0.87 0.00 0.00 0.00 179.25 179.23 1l58 h LYS 83 N 0.00 0.04 0.08 0.00 6.56 -1.92 -3.41 116.57 117.92 1l58 h LYS 83 Ca -0.00 -0.06 -0.25 0.00 -1.06 0.00 0.00 60.65 59.28 1l58 h LYS 83 Cb 0.70 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.37 1l58 h LYS 83 CO 0.00 0.65 -1.30 -0.07 -2.06 0.00 0.00 179.45 176.67 1l58 h LEU 84 N 0.01 0.27 -0.67 2.94 3.38 -1.77 -3.38 115.31 116.09 1l58 h LEU 84 Ca -0.26 -0.80 0.13 0.00 0.09 0.00 0.00 57.88 57.04 1l58 h LEU 84 Cb 1.99 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 42.52 1l58 h LEU 84 CO 0.09 1.56 -0.18 0.50 0.09 0.00 0.00 178.44 180.50 1l58 h LYS 85 N -0.48 -0.01 -0.24 1.13 3.64 -0.73 -0.66 116.57 119.21 1l58 h LYS 85 Ca -0.29 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1l58 h LYS 85 Cb 1.62 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.43 1l58 h LYS 85 CO -0.00 -0.01 0.06 -1.00 -2.27 0.00 0.00 179.45 176.23 1l58 h PRO 86 N -0.01 0.34 -0.15 1.90 0.13 -1.79 0.13 132.00 132.55 1l58 h PRO 86 Ca 0.32 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.34 1l58 h PRO 86 Cb 0.50 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 1l58 h PRO 86 CO -0.69 0.33 -0.17 0.28 -0.23 0.00 0.00 178.00 177.52 1l58 h VAL 87 N 0.34 1.35 -0.33 1.56 2.07 -1.34 -2.46 116.25 117.44 1l58 h VAL 87 Ca 0.08 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.30 1l58 h VAL 87 Cb 0.14 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1l58 h VAL 87 CO -0.00 0.40 0.05 0.22 0.02 0.00 0.00 177.57 178.26 1l58 h TYR 88 N -0.00 0.08 -0.66 1.57 5.03 -0.98 -1.42 116.97 120.59 1l58 h TYR 88 Ca 0.02 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.40 1l58 h TYR 88 Cb 0.72 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.97 1l58 h TYR 88 CO 0.09 0.00 0.43 -0.44 -1.32 0.00 0.00 178.16 176.92 1l58 h ASP 89 N 0.16 0.61 1.47 -2.11 3.45 -0.69 -1.69 116.42 117.62 1l58 h ASP 89 Ca 0.16 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.62 1l58 h ASP 89 Cb 0.18 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1l58 h ASP 89 CO -0.22 0.40 0.00 0.77 -1.57 0.00 0.00 179.24 178.62 1l58 h SER 90 N 0.70 0.00 -3.67 6.45 4.64 -0.78 -3.47 113.55 117.42 1l58 h SER 90 Ca 0.28 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.10 1l58 h SER 90 Cb 0.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1l58 h SER 90 CO -0.08 0.00 0.13 -0.76 -0.87 0.00 0.00 176.83 175.25 1l58 s LEU 91 N -6.03 3.69 0.85 5.97 1.43 -0.64 -5.06 118.68 118.89 1l58 s LEU 91 Ca 0.04 1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 54.07 1l58 s LEU 91 Cb 0.07 -3.97 0.10 0.00 0.03 0.00 0.00 46.19 42.42 1l58 s LEU 91 CO 0.60 -0.52 1.12 1.51 0.23 0.00 0.00 176.35 179.29 1l58 s ASP 92 N -3.71 4.09 0.21 2.29 1.47 -1.26 -4.78 116.67 114.98 1l58 s ASP 92 Ca 0.49 1.10 -0.09 0.00 1.18 0.00 0.00 52.55 55.23 1l58 s ASP 92 Cb -0.10 -1.75 0.29 0.00 -0.34 0.00 0.00 42.92 41.02 1l58 s ASP 92 CO 0.40 -2.20 1.75 0.00 0.68 0.00 0.00 175.17 175.79 1l58 h ALA 93 N -1.25 0.82 -0.43 2.11 0.00 -1.98 -1.19 119.26 117.33 1l58 h ALA 93 Ca -0.48 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1l58 h ALA 93 Cb 1.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1l58 h ALA 93 CO 0.61 -0.18 0.01 0.28 0.00 0.00 0.00 179.25 179.97 1l58 h VAL 94 N 0.43 1.26 -0.11 0.00 2.07 -1.94 -2.62 116.25 115.33 1l58 h VAL 94 Ca 0.32 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1l58 h VAL 94 Cb 0.39 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1l58 h VAL 94 CO -0.31 0.35 -0.29 0.03 0.02 0.00 0.00 177.57 177.38 1l58 h ARG 95 N 0.61 0.21 -0.67 1.57 3.08 -1.80 -1.88 114.38 115.48 1l58 h ARG 95 Ca 0.12 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1l58 h ARG 95 Cb 0.48 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1l58 h ARG 95 CO 0.02 0.48 0.42 0.00 -1.07 0.00 0.00 179.97 179.83 1l58 h ARG 96 N 0.19 0.81 -0.97 0.04 3.08 -0.98 -2.18 114.38 114.37 1l58 h ARG 96 Ca 0.03 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1l58 h ARG 96 Cb 0.61 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1l58 h ARG 96 CO 0.04 0.54 0.63 0.00 -1.07 0.00 0.00 179.97 180.11 1l58 h ALA 98 N 1.38 0.90 -0.25 0.00 0.00 -1.14 -0.29 119.26 119.85 1l58 h ALA 98 Ca 0.35 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1l58 h ALA 98 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1l58 h ALA 98 CO -0.07 0.51 -0.32 1.25 0.00 0.00 0.00 179.25 180.61 1l58 h LEU 99 N 0.98 0.54 -0.74 0.00 5.85 -0.99 -2.12 115.31 118.83 1l58 h LEU 99 Ca 0.23 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1l58 h LEU 99 Cb 0.19 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1l58 h LEU 99 CO -0.02 0.83 0.20 0.40 -0.34 0.00 0.00 178.44 179.51 1l58 h ILE 100 N 0.45 1.26 -0.14 4.05 2.04 -0.53 -2.31 117.51 122.33 1l58 h ILE 100 Ca 0.05 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1l58 h ILE 100 Cb 0.78 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1l58 h ILE 100 CO 0.06 0.37 -0.06 -1.13 0.00 0.00 0.00 178.15 177.39 1l58 h ASN 101 N 1.09 -0.21 -0.60 1.72 -0.73 -0.68 -0.02 115.58 116.15 1l58 h ASN 101 Ca 0.23 0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.51 1l58 h ASN 101 Cb 0.35 0.12 -0.05 0.00 0.27 0.00 0.00 38.32 39.01 1l58 h ASN 101 CO -0.00 -0.08 0.32 0.24 -0.37 0.00 0.00 177.43 177.53 1l58 h MET 102 N -0.04 0.58 -0.66 6.67 2.86 -1.20 -2.18 114.93 120.96 1l58 h MET 102 Ca 0.08 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1l58 h MET 102 Cb 0.16 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1l58 h MET 102 CO -0.17 0.38 0.24 0.28 1.06 0.00 0.00 176.91 178.70 1l58 h VAL 103 N 0.60 1.24 -0.64 -2.22 2.07 -0.92 0.31 116.25 116.69 1l58 h VAL 103 Ca 0.27 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1l58 h VAL 103 Cb 0.17 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1l58 h VAL 103 CO -0.18 0.31 0.42 0.15 0.02 0.00 0.00 177.57 178.30 1l58 h PHE 104 N 0.94 0.80 0.04 1.57 3.04 -0.66 0.74 116.94 123.41 1l58 h PHE 104 Ca 0.22 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.07 1l58 h PHE 104 Cb 0.24 -0.27 0.01 0.00 2.56 0.00 0.00 35.95 38.49 1l58 h PHE 104 CO 0.02 0.50 -0.47 0.37 -2.02 0.00 0.00 178.31 176.71 1l58 h GLN 105 N 0.86 0.25 -0.02 1.11 4.15 -1.10 -3.39 115.11 116.98 1l58 h GLN 105 Ca 0.24 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1l58 h GLN 105 Cb -0.09 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1l58 h GLN 105 CO -0.05 1.07 0.00 0.00 -1.93 0.00 0.00 178.83 177.92 1l58 n MET 106 N -4.33 0.71 -0.12 1.69 0.00 0.11 -5.10 117.12 110.08 1l58 n MET 106 Ca -0.11 -1.23 0.01 0.00 0.00 0.00 0.00 57.70 56.36 1l58 n MET 106 Cb 0.64 -1.23 -0.00 0.00 0.00 0.00 0.00 33.22 32.62 1l58 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1l58 n GLY 107 N 0.69 -2.79 0.23 3.17 0.00 0.25 -3.84 105.19 102.90 1l58 n GLY 107 Ca 0.07 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 1l58 n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1l58 h GLU 108 N -0.05 -0.11 -0.53 1.61 4.81 -1.92 -1.42 114.58 116.98 1l58 h GLU 108 Ca -0.01 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1l58 h GLU 108 Cb 0.09 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1l58 h GLU 108 CO 0.00 -0.07 0.35 1.15 -0.73 0.00 0.00 179.01 179.71 1l58 h THR 109 N -0.11 1.13 -0.00 0.32 2.02 -1.97 0.19 112.91 114.49 1l58 h THR 109 Ca 0.19 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1l58 h THR 109 Cb 0.40 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1l58 h THR 109 CO -0.45 0.13 0.00 1.23 0.37 0.00 0.00 175.52 176.80 1l58 h GLY 110 N 0.71 0.01 0.98 2.16 0.00 -1.52 -2.68 103.07 102.72 1l58 h GLY 110 Ca 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 1l58 h GLY 110 CO -0.05 0.00 0.19 -2.08 0.00 0.00 0.00 176.54 174.60 1l58 h VAL 111 N -0.06 1.23 -0.05 4.60 2.07 -0.97 -1.89 116.25 121.18 1l58 h VAL 111 Ca 0.00 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1l58 h VAL 111 Cb 0.06 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1l58 h VAL 111 CO -0.00 0.28 0.19 0.00 0.02 0.00 0.00 177.57 178.06 1l58 h ALA 112 N 1.04 1.34 0.00 1.67 0.00 -0.48 0.48 119.26 123.31 1l58 h ALA 112 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1l58 h ALA 112 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1l58 h ALA 112 CO -0.01 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.44 1l58 n GLY 113 N -1.22 -1.35 2.41 0.00 0.00 -0.71 -3.98 105.19 100.35 1l58 n GLY 113 Ca -0.01 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1l58 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1l58 n PHE 114 N -2.20 2.27 -0.27 1.61 0.99 0.16 -4.77 117.46 115.25 1l58 n PHE 114 Ca 0.03 -2.69 -0.06 0.00 -0.00 0.00 0.00 57.45 54.73 1l58 n PHE 114 Cb 0.27 -1.91 -0.01 0.00 -1.00 0.00 0.00 39.48 36.83 1l58 n PHE 114 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1l58 h THR 115 N 2.57 0.07 -0.43 4.37 2.02 -1.82 -0.99 112.91 118.70 1l58 h THR 115 Ca 0.67 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.80 1l58 h THR 115 Cb 0.42 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1l58 h THR 115 CO 1.39 0.00 0.08 0.78 0.37 0.00 0.00 175.52 178.14 1l58 h ASN 116 N -0.13 0.67 -0.54 4.18 2.35 -1.95 -2.35 115.58 117.81 1l58 h ASN 116 Ca 0.23 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1l58 h ASN 116 Cb 0.56 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1l58 h ASN 116 CO -0.79 0.75 0.16 0.28 -1.65 0.00 0.00 177.43 176.18 1l58 h SER 117 N 0.56 0.79 -0.78 5.81 0.02 -1.83 -1.78 113.55 116.33 1l58 h SER 117 Ca 0.13 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1l58 h SER 117 Cb 0.36 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1l58 h SER 117 CO 0.01 0.79 0.51 -0.07 -1.14 0.00 0.00 176.83 176.93 1l58 h LEU 118 N 0.75 0.87 -0.52 5.07 3.38 -1.10 -0.58 115.31 123.17 1l58 h LEU 118 Ca 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1l58 h LEU 118 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1l58 h LEU 118 CO -0.00 0.62 0.28 -0.09 0.09 0.00 0.00 178.44 179.33 1l58 h ARG 119 N 1.02 0.73 -0.56 1.13 2.43 -1.16 -1.52 114.38 116.46 1l58 h ARG 119 Ca 0.30 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1l58 h ARG 119 Cb -0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1l58 h ARG 119 CO -0.08 0.57 -0.00 0.52 -1.51 0.00 0.00 179.97 179.47 1l58 h MET 120 N 0.69 0.96 -0.49 0.20 2.86 -0.94 -1.80 114.93 116.42 1l58 h MET 120 Ca 0.18 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 1l58 h MET 120 Cb 0.06 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1l58 h MET 120 CO -0.03 0.95 -0.16 -0.07 1.06 0.00 0.00 176.91 178.67 1l58 h LEU 121 N 0.89 0.95 -1.11 1.22 3.38 -0.78 -1.24 115.31 118.62 1l58 h LEU 121 Ca 0.16 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1l58 h LEU 121 Cb 0.52 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1l58 h LEU 121 CO 0.03 1.10 0.60 -0.61 0.09 0.00 0.00 178.44 179.65 1l58 h GLN 122 N 0.83 1.05 -0.01 1.13 4.15 -0.94 0.71 115.11 122.04 1l58 h GLN 122 Ca 0.12 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1l58 h GLN 122 Cb 0.71 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1l58 h GLN 122 CO 0.05 0.69 -0.00 1.04 -1.93 0.00 0.00 178.83 178.68 1l58 n GLN 123 N -4.48 1.22 -2.80 1.69 6.02 -0.71 -4.92 117.38 113.40 1l58 n GLN 123 Ca 0.14 -0.35 -0.18 0.00 -0.01 0.00 0.00 57.00 56.60 1l58 n GLN 123 Cb 0.18 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 29.97 1l58 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1l58 n LYS 124 N -0.58 -3.66 -3.41 -1.09 5.02 0.24 -4.95 118.16 109.73 1l58 n LYS 124 Ca 0.22 0.76 -0.43 0.00 -2.02 0.00 0.00 58.31 56.84 1l58 n LYS 124 Cb 0.20 -5.26 -0.02 0.00 -0.02 0.00 0.00 35.03 29.94 1l58 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1l58 n ARG 125 N -3.32 3.33 -0.04 1.97 1.74 -0.54 -4.91 116.66 114.90 1l58 n ARG 125 Ca -0.11 -4.47 -0.09 0.00 -0.77 0.00 0.00 57.85 52.42 1l58 n ARG 125 Cb 0.61 -2.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.50 1l58 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1l58 h TRP 126 N 6.46 0.00 -0.40 -1.55 -0.00 -1.90 -0.24 115.95 118.32 1l58 h TRP 126 Ca 0.18 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 59.04 1l58 h TRP 126 Cb 0.85 0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 30.02 1l58 h TRP 126 CO 0.74 -0.02 0.11 -0.44 -0.00 0.00 0.00 178.44 178.83 1l58 h ASP 127 N 0.07 0.59 -0.44 -3.49 5.19 -1.91 -1.59 116.42 114.84 1l58 h ASP 127 Ca 0.09 -0.22 -0.05 0.00 -0.62 0.00 0.00 57.03 56.23 1l58 h ASP 127 Cb 0.11 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 1l58 h ASP 127 CO -0.15 0.66 0.09 -0.33 -3.12 0.00 0.00 179.24 176.39 1l58 h GLU 128 N 0.50 0.72 -0.71 3.56 3.07 -1.95 -2.33 114.58 117.44 1l58 h GLU 128 Ca 0.13 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1l58 h GLU 128 Cb 0.28 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1l58 h GLU 128 CO -0.00 0.73 0.38 0.00 -1.40 0.00 0.00 179.01 178.72 1l58 h ALA 129 N 0.96 0.92 -0.65 3.43 0.00 -0.93 -1.62 119.26 121.36 1l58 h ALA 129 Ca 0.14 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1l58 h ALA 129 Cb 0.35 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1l58 h ALA 129 CO 0.00 0.45 0.41 0.00 0.00 0.00 0.00 179.25 180.11 1l58 h ALA 130 N 1.19 0.84 -0.24 0.00 0.00 -0.97 -0.33 119.26 119.75 1l58 h ALA 130 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1l58 h ALA 130 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1l58 h ALA 130 CO -0.04 0.17 0.07 0.28 0.00 0.00 0.00 179.25 179.74 1l58 h VAL 131 N 0.80 1.19 -0.59 0.00 2.07 -1.30 -2.91 116.25 115.51 1l58 h VAL 131 Ca 0.26 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1l58 h VAL 131 Cb 0.00 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1l58 h VAL 131 CO -0.10 0.20 0.31 -1.13 0.02 0.00 0.00 177.57 176.87 1l58 h ASN 132 N 0.22 0.75 -0.12 0.57 -0.73 -1.00 -2.50 115.58 112.77 1l58 h ASN 132 Ca 0.08 -0.11 0.03 0.00 1.87 0.00 0.00 56.30 58.17 1l58 h ASN 132 Cb 0.24 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 1l58 h ASN 132 CO -0.00 0.65 0.09 -0.07 -0.37 0.00 0.00 177.43 177.72 1l58 h LEU 133 N 0.80 0.02 -0.39 0.34 3.38 -1.00 -2.19 115.31 116.28 1l58 h LEU 133 Ca 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1l58 h LEU 133 Cb 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1l58 h LEU 133 CO -0.03 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1l58 n ALA 134 N -2.56 1.93 -2.35 1.53 0.00 -0.94 -4.01 120.51 114.11 1l58 n ALA 134 Ca -0.00 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1l58 n ALA 134 Cb 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1l58 n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1l58 n LYS 135 N -2.22 4.19 -3.69 0.00 5.02 -0.82 -4.70 118.16 115.94 1l58 n LYS 135 Ca 0.04 -3.74 -0.13 0.00 -2.02 0.00 0.00 58.31 52.45 1l58 n LYS 135 Cb 0.31 -2.74 -0.07 0.00 -0.02 0.00 0.00 35.03 32.52 1l58 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1l58 s SER 136 N 0.13 -0.27 0.24 4.39 1.04 -1.26 -5.02 113.70 112.97 1l58 s SER 136 Ca 0.43 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 1l58 s SER 136 Cb 0.12 0.40 0.42 0.00 0.10 0.00 0.00 66.02 67.07 1l58 s SER 136 CO -0.02 -0.61 1.77 -0.09 0.98 0.00 0.00 173.24 175.27 1l58 h ARG 137 N 3.22 0.58 -0.68 4.02 2.43 -1.93 -2.45 114.38 119.57 1l58 h ARG 137 Ca -0.31 -0.04 0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1l58 h ARG 137 Cb 1.19 -0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 30.48 1l58 h ARG 137 CO 0.43 0.39 -0.27 2.35 -1.51 0.00 0.00 179.97 181.35 1l58 h TRP 138 N 0.60 -0.71 -0.57 2.20 7.01 -1.95 0.33 115.95 122.87 1l58 h TRP 138 Ca 0.40 0.07 -0.06 0.00 2.11 0.00 0.00 58.89 61.41 1l58 h TRP 138 Cb 0.50 0.41 -0.03 0.00 -2.10 0.00 0.00 29.16 27.95 1l58 h TRP 138 CO -0.11 -0.36 0.10 -0.92 -2.79 0.00 0.00 178.44 174.37 1l58 h TYR 139 N -0.08 0.95 -0.21 2.65 3.20 -1.72 -0.60 116.97 121.16 1l58 h TYR 139 Ca 0.29 -0.11 -0.20 0.00 3.14 0.00 0.00 58.73 61.86 1l58 h TYR 139 Cb 0.55 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1l58 h TYR 139 CO -0.63 0.81 -0.65 -0.91 -1.64 0.00 0.00 178.16 175.14 1l58 h ASN 140 N 0.86 0.89 0.42 -2.11 4.21 -0.82 -3.05 115.58 115.97 1l58 h ASN 140 Ca 0.18 -0.52 -0.26 0.00 1.21 0.00 0.00 56.30 56.91 1l58 h ASN 140 Cb 0.37 -0.26 0.01 0.00 -1.12 0.00 0.00 38.32 37.32 1l58 h ASN 140 CO 0.01 1.31 -1.12 1.56 -1.29 0.00 0.00 177.43 177.90 1l58 h GLN 141 N 0.57 0.39 -2.08 0.81 1.08 -0.33 -3.38 115.11 112.17 1l58 h GLN 141 Ca -0.01 -0.52 -0.54 0.00 -1.45 0.00 0.00 58.65 56.12 1l58 h GLN 141 Cb 1.26 0.17 -0.40 0.00 -0.05 0.00 0.00 27.48 28.46 1l58 h GLN 141 CO 0.13 1.20 -0.99 0.25 -0.95 0.00 0.00 178.83 178.47 1l58 n THR 142 N -3.67 0.57 -0.20 -0.54 -2.24 -0.24 -5.00 114.28 102.96 1l58 n THR 142 Ca -0.09 -4.66 -0.03 0.00 -2.27 0.00 0.00 64.05 57.00 1l58 n THR 142 Cb 0.94 -1.25 0.08 0.00 -2.10 0.00 0.00 70.33 67.99 1l58 n THR 142 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l58 h ALA 143 N 3.48 0.78 -0.27 6.98 0.00 -1.72 -0.20 119.26 128.32 1l58 h ALA 143 Ca 0.11 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1l58 h ALA 143 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1l58 h ALA 143 CO 0.59 -0.04 -0.45 -0.91 0.00 0.00 0.00 179.25 178.45 1l58 h ASN 144 N 0.58 0.74 0.05 0.00 -0.26 -1.94 -0.89 115.58 113.86 1l58 h ASN 144 Ca 0.27 -0.35 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1l58 h ASN 144 Cb 0.19 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1l58 h ASN 144 CO -0.19 1.08 -0.02 -0.09 -1.06 0.00 0.00 177.43 177.15 1l58 h ARG 145 N 0.55 -0.07 -0.58 0.81 2.43 -1.96 -2.30 114.38 113.27 1l58 h ARG 145 Ca 0.04 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 1l58 h ARG 145 Cb 0.99 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.48 1l58 h ARG 145 CO 0.09 0.25 0.17 0.00 -1.51 0.00 0.00 179.97 178.97 1l58 h ALA 146 N 0.54 0.71 -0.82 2.80 0.00 -0.98 -0.77 119.26 120.75 1l58 h ALA 146 Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1l58 h ALA 146 Cb 0.35 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1l58 h ALA 146 CO 0.01 -0.26 0.54 0.87 0.00 0.00 0.00 179.25 180.41 1l58 h LYS 147 N 0.32 0.93 -0.29 0.00 1.57 -1.05 0.17 116.57 118.22 1l58 h LYS 147 Ca 0.30 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1l58 h LYS 147 Cb 0.41 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1l58 h LYS 147 CO -0.35 0.62 0.02 0.00 -0.57 0.00 0.00 179.45 179.17 1l58 h ARG 148 N 0.96 0.51 -0.14 3.15 3.08 -0.71 -1.13 114.38 120.09 1l58 h ARG 148 Ca 0.34 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1l58 h ARG 148 Cb 0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1l58 h ARG 148 CO -0.11 0.64 0.06 0.28 -1.07 0.00 0.00 179.97 179.77 1l58 h VAL 149 N 0.31 1.15 -0.34 2.04 2.07 -0.29 -2.02 116.25 119.16 1l58 h VAL 149 Ca 0.08 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.23 1l58 h VAL 149 Cb 0.40 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 1l58 h VAL 149 CO 0.01 0.14 -0.12 0.40 0.02 0.00 0.00 177.57 178.01 1l58 h ILE 150 N 0.08 0.58 -0.75 4.57 2.04 -0.69 -0.90 117.51 122.43 1l58 h ILE 150 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1l58 h ILE 150 Cb 0.16 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1l58 h ILE 150 CO -0.00 0.00 0.50 0.74 0.00 0.00 0.00 178.15 179.38 1l58 h THR 151 N -0.05 1.13 -0.33 -0.27 2.02 -1.07 0.16 112.91 114.50 1l58 h THR 151 Ca 0.17 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1l58 h THR 151 Cb 0.31 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1l58 h THR 151 CO -0.38 0.17 0.19 0.74 0.37 0.00 0.00 175.52 176.61 1l58 h THR 152 N 0.95 1.13 -0.33 3.16 2.02 -0.54 0.38 112.91 119.67 1l58 h THR 152 Ca 0.29 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 67.05 1l58 h THR 152 Cb 0.01 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1l58 h THR 152 CO -0.08 0.13 -0.24 -0.26 0.37 0.00 0.00 175.52 175.44 1l58 h PHE 153 N 0.42 0.74 0.24 3.16 0.05 -0.47 0.93 116.94 122.00 1l58 h PHE 153 Ca 0.12 -0.16 -0.01 0.00 3.82 0.00 0.00 57.97 61.73 1l58 h PHE 153 Cb 0.04 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 37.81 1l58 h PHE 153 CO -0.03 0.83 -0.11 -0.09 -0.18 0.00 0.00 178.31 178.72 1l58 h ARG 154 N 0.57 -0.31 0.00 1.51 2.43 -0.57 -3.36 114.38 114.65 1l58 h ARG 154 Ca 0.08 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 1l58 h ARG 154 Cb 0.71 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1l58 h ARG 154 CO 0.05 -0.13 -1.98 0.25 -1.51 0.00 0.00 179.97 176.65 1l58 n THR 155 N -5.19 0.59 -1.26 0.20 -2.24 0.09 -4.80 114.28 101.67 1l58 n THR 155 Ca -0.09 -0.63 -0.07 0.00 -2.27 0.00 0.00 64.05 60.98 1l58 n THR 155 Cb 0.18 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 1l58 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l58 n GLY 156 N 1.41 0.91 3.47 3.38 0.00 0.32 -5.00 105.19 109.68 1l58 n GLY 156 Ca -0.13 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1l58 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l58 s THR 157 N -2.28 0.81 -1.00 2.61 -4.23 -1.26 -4.80 115.64 105.48 1l58 s THR 157 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1l58 s THR 157 Cb 0.00 -2.54 0.74 0.00 1.34 0.00 0.00 72.50 72.04 1l58 s THR 157 CO 0.00 0.00 1.65 0.79 -0.54 0.00 0.00 174.62 176.52 1l58 n TRP 158 N -0.78 1.60 -0.26 3.99 7.02 -1.26 -4.61 117.44 123.14 1l58 n TRP 158 Ca -0.04 -0.62 0.20 0.00 -1.02 0.00 0.00 57.50 56.02 1l58 n TRP 158 Cb 0.66 -0.29 0.51 0.00 -2.42 0.00 0.00 31.31 29.76 1l58 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1l58 h ASP 159 N 4.09 0.43 0.92 -0.99 3.45 -1.96 -1.25 116.42 121.10 1l58 h ASP 159 Ca 0.00 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1l58 h ASP 159 Cb 1.55 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.29 1l58 h ASP 159 CO 0.28 0.16 0.00 0.00 -1.57 0.00 0.00 179.24 178.11 1l58 h ALA 160 N 1.61 1.00 0.00 3.45 0.00 -1.88 -2.90 119.26 120.53 1l58 h ALA 160 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1l58 h ALA 160 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1l58 h ALA 160 CO -0.20 0.00 -0.99 0.66 0.00 0.00 0.00 179.25 178.72 1l58 n TYR 161 N -2.94 0.00 0.54 0.00 4.01 -0.53 -4.44 117.16 113.80 1l58 n TYR 161 Ca 0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.86 1l58 n TYR 161 Cb 0.28 -0.07 0.45 0.00 -0.31 0.00 0.00 39.34 39.69 1l58 n TYR 161 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1l58 n LYS 162 N -1.53 0.15 0.24 -0.72 5.02 -0.86 -2.64 118.16 117.82 1l58 n LYS 162 Ca 0.02 0.29 -0.10 0.00 -2.02 0.00 0.00 58.31 56.51 1l58 n LYS 162 Cb 0.30 -1.74 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 1l58 n LYS 162 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1l58 h ASN 163 N 0.00 -0.53 0.00 4.39 4.21 -1.78 -3.52 115.58 118.35 1l58 h ASN 163 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1l58 h ASN 163 Cb 0.44 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1l58 h ASN 163 CO 0.00 -0.30 0.00 0.18 -1.29 0.00 0.00 177.43 176.02