#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l94 s ASN 2 N 0.00 0.41 0.24 6.12 2.20 -1.26 -5.05 114.94 117.60 1l94 s ASN 2 Ca 0.00 -1.24 -0.05 0.00 -0.94 0.00 0.00 52.86 50.63 1l94 s ASN 2 Cb 0.00 0.68 0.40 0.00 -2.00 0.00 0.00 41.25 40.33 1l94 s ASN 2 CO 0.00 -1.33 1.79 -0.29 -2.94 0.00 0.00 177.10 174.32 1l94 h ILE 3 N 2.13 0.85 -0.11 0.54 6.09 -1.98 -0.14 117.51 124.88 1l94 h ILE 3 Ca -0.28 -0.23 -0.00 0.00 -1.37 0.00 0.00 64.86 62.97 1l94 h ILE 3 Cb 1.25 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 1l94 h ILE 3 CO 0.38 0.12 0.06 -0.26 -3.07 0.00 0.00 178.15 175.38 1l94 h PHE 4 N 0.68 0.16 -0.26 2.19 -1.00 -1.99 -1.01 116.94 115.71 1l94 h PHE 4 Ca 0.39 -0.01 -0.12 0.00 2.81 0.00 0.00 57.97 61.05 1l94 h PHE 4 Cb 0.42 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1l94 h PHE 4 CO -0.09 0.21 -0.33 0.93 -1.61 0.00 0.00 178.31 177.42 1l94 h GLU 5 N 0.07 0.55 0.18 1.51 5.08 -1.88 -0.86 114.58 119.24 1l94 h GLU 5 Ca 0.04 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1l94 h GLU 5 Cb 0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1l94 h GLU 5 CO -0.01 0.81 -0.09 1.98 -1.00 0.00 0.00 179.01 180.71 1l94 h MET 6 N 0.47 -0.24 -0.28 2.33 4.05 -0.89 -2.51 114.93 117.87 1l94 h MET 6 Ca 0.05 0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.41 1l94 h MET 6 Cb 0.80 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.64 1l94 h MET 6 CO 0.07 -0.10 -0.17 -0.07 0.23 0.00 0.00 176.91 176.86 1l94 h LEU 7 N -0.32 0.48 -1.49 3.39 3.38 -1.15 -1.86 115.31 117.74 1l94 h LEU 7 Ca -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1l94 h LEU 7 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1l94 h LEU 7 CO 0.04 0.68 -0.00 -0.09 0.09 0.00 0.00 178.44 179.16 1l94 h ARG 8 N 0.45 0.32 -0.13 1.13 9.65 -1.06 -0.09 114.38 124.65 1l94 h ARG 8 Ca 0.08 -0.05 -0.20 0.00 -1.10 0.00 0.00 59.98 58.71 1l94 h ARG 8 Cb 0.56 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1l94 h ARG 8 CO 0.04 0.35 -0.69 0.82 2.80 0.00 0.00 179.97 183.29 1l94 h ILE 9 N 0.32 1.31 -0.04 1.20 2.04 -1.00 -2.00 117.51 119.33 1l94 h ILE 9 Ca 0.07 -1.93 -0.18 0.00 1.00 0.00 0.00 64.86 63.83 1l94 h ILE 9 Cb 0.22 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1l94 h ILE 9 CO 0.01 0.60 -0.75 0.44 0.00 0.00 0.00 178.15 178.45 1l94 h ASP 10 N 0.39 0.30 0.00 1.72 3.32 -0.87 -3.36 116.42 117.92 1l94 h ASP 10 Ca -0.05 -0.21 -0.21 0.00 0.02 0.00 0.00 57.03 56.59 1l94 h ASP 10 Cb 1.33 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1l94 h ASP 10 CO 0.14 0.94 -2.14 -0.62 -1.72 0.00 0.00 179.24 175.84 1l94 n GLU 11 N -3.77 0.81 0.00 3.56 -0.58 -0.09 -5.07 120.64 115.50 1l94 n GLU 11 Ca -0.03 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1l94 n GLU 11 Cb 0.72 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 1l94 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1l94 n GLY 12 N 1.65 -1.86 2.76 0.62 0.00 -0.75 -4.50 105.19 103.11 1l94 n GLY 12 Ca -0.20 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 1l94 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1l94 s LEU 13 N 0.00 0.29 -0.07 0.99 2.96 -1.26 -4.33 118.68 117.27 1l94 s LEU 13 Ca 0.00 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1l94 s LEU 13 Cb 0.00 0.05 0.02 0.00 0.50 0.00 0.00 46.19 46.76 1l94 s LEU 13 CO 0.00 -0.22 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.63 1l94 s ARG 14 N 1.92 1.10 0.00 1.98 0.52 -0.77 -5.00 118.95 118.69 1l94 s ARG 14 Ca 0.01 -0.16 0.28 0.00 -0.52 0.00 0.00 55.73 55.34 1l94 s ARG 14 Cb -0.12 -1.13 1.06 0.00 0.52 0.00 0.00 34.95 35.28 1l94 s ARG 14 CO -0.04 -0.14 1.75 1.28 0.02 0.00 0.00 175.30 178.17 1l94 n LEU 15 N 4.40 1.20 -4.25 2.53 4.77 -1.26 0.05 117.00 124.43 1l94 n LEU 15 Ca -0.18 -0.37 -0.25 0.00 -0.03 0.00 0.00 56.01 55.17 1l94 n LEU 15 Cb 0.51 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1l94 n LEU 15 CO 0.20 0.21 -0.52 -0.75 -1.33 0.00 0.00 177.39 175.19 1l94 s LYS 16 N -2.15 1.36 0.23 3.23 2.47 -1.26 -2.03 119.74 121.58 1l94 s LYS 16 Ca 0.35 -0.96 -0.31 0.00 -1.56 0.00 0.00 55.97 53.49 1l94 s LYS 16 Cb 0.21 -1.48 -0.14 0.00 -1.46 0.00 0.00 37.83 34.95 1l94 s LYS 16 CO 0.39 0.38 1.22 -0.89 0.16 0.00 0.00 175.35 176.61 1l94 n ILE 17 N 1.77 1.21 -4.20 5.43 5.41 -1.04 -4.77 119.36 123.18 1l94 n ILE 17 Ca -0.17 -0.30 -0.15 0.00 1.00 0.00 0.00 62.75 63.13 1l94 n ILE 17 Cb 0.53 -1.14 -0.08 0.00 -0.71 0.00 0.00 39.64 38.24 1l94 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1l94 s TYR 18 N -0.38 1.28 -0.13 1.39 1.13 -0.22 -4.97 117.35 115.44 1l94 s TYR 18 Ca 0.67 -1.41 -0.05 0.00 -1.41 0.00 0.00 57.07 54.88 1l94 s TYR 18 Cb -0.73 -0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 39.60 1l94 s TYR 18 CO 0.54 -0.81 0.05 0.15 -2.51 0.00 0.00 175.55 172.96 1l94 s LYS 19 N -3.77 3.46 0.81 -3.49 1.02 -1.26 -0.24 119.74 116.28 1l94 s LYS 19 Ca 0.37 -0.33 -0.14 0.00 0.02 0.00 0.00 55.97 55.89 1l94 s LYS 19 Cb 0.04 -3.03 0.19 0.00 -0.52 0.00 0.00 37.83 34.51 1l94 s LYS 19 CO 0.18 0.55 0.97 -0.40 -0.92 0.00 0.00 175.35 175.73 1l94 n ASP 20 N 2.66 -0.51 0.31 2.83 5.68 0.13 -4.83 116.55 122.81 1l94 n ASP 20 Ca -0.18 -1.26 0.18 0.00 -0.50 0.00 0.00 54.79 53.02 1l94 n ASP 20 Cb 0.53 -0.78 1.01 0.00 -1.14 0.00 0.00 41.12 40.74 1l94 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1l94 h THR 21 N -1.86 0.36 -0.02 2.12 1.35 -1.99 -0.61 112.91 112.26 1l94 h THR 21 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1l94 h THR 21 Cb 0.93 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1l94 h THR 21 CO 0.23 0.00 -0.10 -0.62 -0.25 0.00 0.00 175.52 174.77 1l94 n GLU 22 N -3.60 1.65 -0.58 4.72 -0.58 -1.26 -4.95 120.64 116.04 1l94 n GLU 22 Ca -0.03 -1.16 0.00 0.00 -0.42 0.00 0.00 57.16 55.56 1l94 n GLU 22 Cb 0.09 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1l94 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1l94 n GLY 23 N 1.28 0.68 3.87 0.62 0.00 -0.24 -5.08 105.19 106.33 1l94 n GLY 23 Ca 0.15 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1l94 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1l94 s TYR 24 N -2.00 3.57 0.03 1.61 2.02 -1.26 -4.65 117.35 116.67 1l94 s TYR 24 Ca 0.00 0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 57.12 1l94 s TYR 24 Cb 0.00 -2.11 -0.08 0.00 -0.40 0.00 0.00 41.96 39.36 1l94 s TYR 24 CO 0.00 0.52 1.85 0.71 -1.57 0.00 0.00 175.55 177.06 1l94 s TYR 25 N -1.41 1.65 0.21 2.71 2.02 -1.22 0.20 117.35 121.50 1l94 s TYR 25 Ca 0.33 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1l94 s TYR 25 Cb -0.14 -4.14 -0.05 0.00 -0.40 0.00 0.00 41.96 37.24 1l94 s TYR 25 CO 0.18 -4.94 0.06 0.99 -1.57 0.00 0.00 175.55 170.28 1l94 s THR 26 N 4.00 0.47 0.17 -0.71 2.01 0.67 -0.10 115.64 122.15 1l94 s THR 26 Ca 0.83 -1.98 -0.16 0.00 0.31 0.00 0.00 61.69 60.69 1l94 s THR 26 Cb -0.41 -2.37 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1l94 s THR 26 CO 0.37 -0.22 0.46 -0.51 -0.69 0.00 0.00 174.62 174.03 1l94 s ILE 27 N -3.81 0.04 0.00 1.82 2.07 -0.94 -1.06 121.20 119.32 1l94 s ILE 27 Ca 0.31 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1l94 s ILE 27 Cb 0.07 -1.52 0.00 0.00 0.13 0.00 0.00 42.46 41.14 1l94 s ILE 27 CO 0.09 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.53 1l94 n GLY 28 N -0.29 3.50 2.98 1.50 0.00 0.11 -2.10 105.19 110.89 1l94 n GLY 28 Ca -0.11 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1l94 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1l94 n ILE 29 N 0.00 4.89 -1.89 -0.61 5.41 -1.26 -1.85 119.36 124.05 1l94 n ILE 29 Ca 0.00 -5.79 -0.12 0.00 1.00 0.00 0.00 62.75 57.84 1l94 n ILE 29 Cb 0.00 -2.14 -0.02 0.00 -0.71 0.00 0.00 39.64 36.76 1l94 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1l94 n GLY 30 N 1.44 0.44 3.51 7.39 0.00 -1.25 -4.91 105.19 111.81 1l94 n GLY 30 Ca 0.26 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1l94 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1l94 s HIS 31 N -2.55 2.49 0.17 1.61 5.04 -0.89 -4.94 115.29 116.22 1l94 s HIS 31 Ca 0.00 -0.37 -0.32 0.00 -1.54 0.00 0.00 55.06 52.83 1l94 s HIS 31 Cb 0.00 -4.49 -0.12 0.00 0.04 0.00 0.00 32.58 28.02 1l94 s HIS 31 CO 0.00 -1.87 1.75 -0.11 -2.34 0.00 0.00 174.74 172.17 1l94 n LEU 32 N 8.55 3.90 -0.10 8.88 7.94 -1.26 -2.22 117.00 142.69 1l94 n LEU 32 Ca 0.04 1.03 -0.23 0.00 -1.11 0.00 0.00 56.01 55.74 1l94 n LEU 32 Cb 0.48 -1.54 -0.12 0.00 0.53 0.00 0.00 43.42 42.77 1l94 n LEU 32 CO 0.67 0.12 -0.68 0.18 -1.11 0.00 0.00 177.39 176.58 1l94 n LEU 33 N 4.57 1.96 -3.51 -1.96 4.77 0.85 -4.95 117.00 118.73 1l94 n LEU 33 Ca 0.17 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.42 1l94 n LEU 33 Cb 0.35 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 1l94 n LEU 33 CO 0.65 0.37 0.59 0.28 -1.33 0.00 0.00 177.39 177.95 1l94 s THR 34 N -2.40 0.00 -1.14 -5.08 -1.32 -1.18 -4.93 115.64 99.59 1l94 s THR 34 Ca -0.30 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.43 1l94 s THR 34 Cb 0.07 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1l94 s THR 34 CO 0.59 0.00 1.33 0.29 -2.21 0.00 0.00 174.62 174.62 1l94 n LYS 35 N 0.24 0.16 -2.08 7.08 5.02 -1.26 -3.42 118.16 123.90 1l94 n LYS 35 Ca -0.13 -0.10 -0.37 0.00 -2.02 0.00 0.00 58.31 55.68 1l94 n LYS 35 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 1l94 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1l94 s SER 36 N -2.91 5.68 0.00 4.39 0.15 -1.26 -4.91 113.70 114.84 1l94 s SER 36 Ca 0.13 2.43 0.31 0.00 0.70 0.00 0.00 55.95 59.52 1l94 s SER 36 Cb 0.17 -2.61 1.70 0.00 -1.71 0.00 0.00 66.02 63.58 1l94 s SER 36 CO 0.70 -1.26 2.13 -2.65 1.20 0.00 0.00 173.24 173.36 1l94 n PRO 37 N -0.93 0.76 -3.11 5.44 -0.02 -1.26 -4.73 135.00 131.15 1l94 n PRO 37 Ca 0.10 -0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 61.15 1l94 n PRO 37 Cb 0.48 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.40 1l94 n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1l94 s SER 38 N -2.26 6.68 0.54 2.55 0.15 -1.26 -4.90 113.70 115.19 1l94 s SER 38 Ca 0.39 0.83 0.30 0.00 0.70 0.00 0.00 55.95 58.16 1l94 s SER 38 Cb 0.21 -2.35 1.53 0.00 -1.71 0.00 0.00 66.02 63.70 1l94 s SER 38 CO 0.41 -0.29 2.09 0.25 1.20 0.00 0.00 173.24 176.90 1l94 h LEU 39 N 8.31 0.00 0.06 3.45 5.85 -1.99 -1.22 115.31 129.76 1l94 h LEU 39 Ca -0.31 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.13 1l94 h LEU 39 Cb 1.14 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.19 1l94 h LEU 39 CO 0.78 0.10 -1.16 0.78 -0.34 0.00 0.00 178.44 178.59 1l94 h ASN 40 N 0.00 0.86 -0.48 1.25 2.35 -1.98 0.64 115.58 118.23 1l94 h ASN 40 Ca -0.00 -0.76 -0.01 0.00 -0.55 0.00 0.00 56.30 54.98 1l94 h ASN 40 Cb 0.32 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1l94 h ASN 40 CO 0.01 1.56 0.27 0.00 -1.65 0.00 0.00 177.43 177.62 1l94 h ALA 41 N 0.36 1.53 -0.40 -0.83 0.00 -1.66 -1.52 119.26 116.74 1l94 h ALA 41 Ca -0.16 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1l94 h ALA 41 Cb 1.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1l94 h ALA 41 CO 0.22 0.39 -0.18 0.00 0.00 0.00 0.00 179.25 179.69 1l94 h ALA 42 N 1.60 0.56 -0.40 0.00 0.00 -1.10 -2.21 119.26 117.71 1l94 h ALA 42 Ca 0.18 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1l94 h ALA 42 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1l94 h ALA 42 CO -0.03 0.50 -0.13 0.87 0.00 0.00 0.00 179.25 180.46 1l94 h LYS 43 N 0.63 0.72 -0.11 0.00 1.57 -0.48 -0.47 116.57 118.44 1l94 h LYS 43 Ca 0.09 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1l94 h LYS 43 Cb 0.73 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1l94 h LYS 43 CO 0.06 0.83 0.04 1.03 -0.57 0.00 0.00 179.45 180.84 1l94 h SER 44 N 0.65 0.15 -0.57 0.86 0.87 -1.23 -1.06 113.55 113.22 1l94 h SER 44 Ca 0.11 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1l94 h SER 44 Cb 0.60 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1l94 h SER 44 CO 0.04 0.27 0.29 -0.33 -0.53 0.00 0.00 176.83 176.56 1l94 h GLU 45 N 0.02 0.81 -0.17 2.24 4.39 -1.25 -1.23 114.58 119.39 1l94 h GLU 45 Ca 0.04 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.67 1l94 h GLU 45 Cb 0.17 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 1l94 h GLU 45 CO -0.00 0.65 -0.19 1.25 -1.16 0.00 0.00 179.01 179.56 1l94 h LEU 46 N 0.77 -0.59 -0.88 1.33 5.85 -0.82 0.11 115.31 121.07 1l94 h LEU 46 Ca 0.20 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 1l94 h LEU 46 Cb 0.10 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1l94 h LEU 46 CO -0.03 -0.23 0.51 0.44 -0.34 0.00 0.00 178.44 178.79 1l94 h ASP 47 N -0.22 1.08 -0.77 1.25 3.32 -0.92 -1.41 116.42 118.74 1l94 h ASP 47 Ca 0.11 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1l94 h ASP 47 Cb 0.39 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1l94 h ASP 47 CO -0.30 0.84 0.51 0.50 -1.72 0.00 0.00 179.24 179.07 1l94 h LYS 48 N 1.22 1.01 -0.39 3.56 3.64 -0.75 0.16 116.57 125.03 1l94 h LYS 48 Ca 0.31 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1l94 h LYS 48 Cb -0.02 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1l94 h LYS 48 CO -0.06 0.67 -0.27 0.00 -2.27 0.00 0.00 179.45 177.52 1l94 h ALA 49 N 1.29 0.79 0.00 5.00 0.00 -0.00 -3.30 119.26 123.04 1l94 h ALA 49 Ca 0.29 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1l94 h ALA 49 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1l94 h ALA 49 CO -0.07 0.65 -1.34 -0.89 0.00 0.00 0.00 179.25 177.60 1l94 n ILE 50 N -4.09 0.96 -1.25 0.00 2.08 -0.61 -4.99 119.36 111.46 1l94 n ILE 50 Ca -0.00 -0.64 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1l94 n ILE 50 Cb 0.47 -0.57 0.00 0.00 -0.75 0.00 0.00 39.64 38.78 1l94 n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1l94 n GLY 51 N 1.33 0.45 3.62 7.39 0.00 0.54 -5.03 105.19 113.50 1l94 n GLY 51 Ca -0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1l94 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1l94 s ARG 52 N -2.53 1.53 -0.55 1.61 1.70 -1.11 -5.06 118.95 114.55 1l94 s ARG 52 Ca 0.00 -1.02 -0.27 0.00 -0.47 0.00 0.00 55.73 53.97 1l94 s ARG 52 Cb 0.00 0.52 0.03 0.00 -0.57 0.00 0.00 34.95 34.94 1l94 s ARG 52 CO 0.00 -0.66 1.09 1.21 -1.08 0.00 0.00 175.30 175.86 1l94 s ASN 53 N -2.93 6.44 -0.00 -2.89 2.47 -1.26 -4.41 114.94 112.35 1l94 s ASN 53 Ca 0.14 0.02 0.21 0.00 0.42 0.00 0.00 52.86 53.65 1l94 s ASN 53 Cb -0.02 -2.51 -0.25 0.00 -1.45 0.00 0.00 41.25 37.02 1l94 s ASN 53 CO 0.03 -1.34 0.56 0.35 -3.72 0.00 0.00 177.10 172.98 1l94 n THR 54 N 6.54 0.39 -2.50 -5.21 -2.24 -1.26 -4.96 114.28 105.03 1l94 n THR 54 Ca 0.07 -0.57 -0.20 0.00 -2.27 0.00 0.00 64.05 61.07 1l94 n THR 54 Cb 0.49 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1l94 n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1l94 n ASN 55 N -2.45 -5.77 0.00 3.42 5.15 -1.26 -2.63 115.26 111.72 1l94 n ASN 55 Ca -0.07 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1l94 n ASN 55 Cb 0.66 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.16 1l94 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1l94 n GLY 56 N -1.11 0.46 3.11 8.20 0.00 -1.26 -5.02 105.19 109.57 1l94 n GLY 56 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1l94 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l94 s VAL 57 N -2.01 1.12 0.27 1.61 1.01 -1.08 -2.51 120.40 118.81 1l94 s VAL 57 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1l94 s VAL 57 Cb 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 1l94 s VAL 57 CO 0.00 0.27 0.06 0.27 0.00 0.00 0.00 175.10 175.71 1l94 s ILE 58 N -0.40 0.85 0.47 2.22 -4.36 -0.86 -4.80 121.20 114.32 1l94 s ILE 58 Ca 0.05 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.46 1l94 s ILE 58 Cb -0.06 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 41.05 1l94 s ILE 58 CO -0.00 -0.08 0.67 0.42 0.24 0.00 0.00 174.94 176.19 1l94 s THR 59 N -3.55 3.33 0.20 8.37 -4.23 -1.26 -4.80 115.64 113.70 1l94 s THR 59 Ca 0.35 -0.72 -0.11 0.00 -1.18 0.00 0.00 61.69 60.04 1l94 s THR 59 Cb 0.08 -3.21 0.11 0.00 1.34 0.00 0.00 72.50 70.83 1l94 s THR 59 CO 0.13 -0.12 1.76 0.50 -0.54 0.00 0.00 174.62 176.34 1l94 h LYS 60 N 0.38 0.42 -0.44 3.99 3.64 -1.99 -1.10 116.57 121.48 1l94 h LYS 60 Ca -0.43 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1l94 h LYS 60 Cb 1.27 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1l94 h LYS 60 CO 0.53 0.28 0.22 -0.44 -2.27 0.00 0.00 179.45 177.76 1l94 h ASP 61 N 0.43 0.32 -0.82 4.20 3.32 -1.98 0.10 116.42 121.99 1l94 h ASP 61 Ca 0.27 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1l94 h ASP 61 Cb 0.28 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1l94 h ASP 61 CO -0.25 0.23 0.38 -0.33 -1.72 0.00 0.00 179.24 177.55 1l94 h GLU 62 N 0.44 1.19 -0.82 3.56 5.08 -1.79 0.07 114.58 122.31 1l94 h GLU 62 Ca 0.19 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1l94 h GLU 62 Cb 0.09 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1l94 h GLU 62 CO -0.13 0.93 0.36 0.00 -1.00 0.00 0.00 179.01 179.17 1l94 h ALA 63 N 1.20 1.09 -0.00 3.43 0.00 -0.72 -1.97 119.26 122.29 1l94 h ALA 63 Ca 0.28 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1l94 h ALA 63 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1l94 h ALA 63 CO -0.03 0.67 -0.66 0.93 0.00 0.00 0.00 179.25 180.16 1l94 h GLU 64 N 1.18 0.00 -0.22 0.00 5.08 -0.38 -2.05 114.58 118.20 1l94 h GLU 64 Ca 0.28 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1l94 h GLU 64 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1l94 h GLU 64 CO -0.03 0.66 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.38 1l94 h LYS 65 N 0.00 0.41 -0.67 2.33 3.64 -0.65 -0.31 116.57 121.33 1l94 h LYS 65 Ca -0.01 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1l94 h LYS 65 Cb 1.16 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1l94 h LYS 65 CO 0.09 0.64 0.41 -0.07 -2.27 0.00 0.00 179.45 178.25 1l94 h LEU 66 N 0.15 0.65 -0.14 5.20 3.38 -1.32 -1.78 115.31 121.44 1l94 h LEU 66 Ca 0.06 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1l94 h LEU 66 Cb 0.49 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1l94 h LEU 66 CO 0.02 0.44 0.01 0.15 0.09 0.00 0.00 178.44 179.15 1l94 h PHE 67 N 0.78 0.01 -0.57 1.13 3.57 -1.17 -0.93 116.94 119.76 1l94 h PHE 67 Ca 0.28 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.86 1l94 h PHE 67 Cb 0.07 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 1l94 h PHE 67 CO -0.05 -0.01 0.26 -0.91 -2.23 0.00 0.00 178.31 175.37 1l94 h ASN 68 N 0.06 0.33 -0.52 0.41 2.35 -0.63 -1.55 115.58 116.03 1l94 h ASN 68 Ca 0.07 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1l94 h ASN 68 Cb 0.07 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1l94 h ASN 68 CO -0.10 0.22 0.34 1.56 -1.65 0.00 0.00 177.43 177.79 1l94 h GLN 69 N 0.48 0.67 -0.68 0.81 4.20 -0.93 -2.19 115.11 117.47 1l94 h GLN 69 Ca 0.27 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 1l94 h GLN 69 Cb 0.25 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1l94 h GLN 69 CO -0.22 0.45 0.16 -0.44 -0.67 0.00 0.00 178.83 178.11 1l94 h ASP 70 N 0.69 1.01 -0.29 1.46 3.32 -0.71 -0.29 116.42 121.61 1l94 h ASP 70 Ca 0.19 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 1l94 h ASP 70 Cb -0.07 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 1l94 h ASP 70 CO -0.05 0.97 -0.40 0.58 -1.72 0.00 0.00 179.24 178.63 1l94 h VAL 71 N 1.02 1.29 -0.06 -1.35 2.07 -1.20 -0.91 116.25 117.12 1l94 h VAL 71 Ca 0.21 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1l94 h VAL 71 Cb 0.36 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1l94 h VAL 71 CO 0.00 0.51 -0.02 -0.78 0.02 0.00 0.00 177.57 177.30 1l94 h ASP 72 N 0.55 -0.07 -0.89 0.57 3.58 -1.29 -0.35 116.42 118.52 1l94 h ASP 72 Ca 0.03 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1l94 h ASP 72 Cb 0.99 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.04 1l94 h ASP 72 CO 0.09 -0.03 0.54 0.00 -2.88 0.00 0.00 179.24 176.96 1l94 h ALA 73 N 1.05 1.27 0.44 -0.78 0.00 -1.00 -1.22 119.26 119.01 1l94 h ALA 73 Ca 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1l94 h ALA 73 Cb 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1l94 h ALA 73 CO -0.06 0.62 -0.25 0.00 0.00 0.00 0.00 179.25 179.56 1l94 h ALA 74 N 1.37 -0.64 -0.34 0.00 0.00 -0.61 0.13 119.26 119.16 1l94 h ALA 74 Ca 0.32 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1l94 h ALA 74 Cb -0.06 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1l94 h ALA 74 CO -0.06 -0.87 -0.09 0.28 0.00 0.00 0.00 179.25 178.50 1l94 h VAL 75 N -0.65 0.64 -0.69 0.00 2.07 -0.74 -2.09 116.25 114.80 1l94 h VAL 75 Ca -0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1l94 h VAL 75 Cb 0.52 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1l94 h VAL 75 CO 0.06 0.00 0.29 0.03 0.02 0.00 0.00 177.57 177.97 1l94 h ARG 76 N -0.01 1.01 -0.57 1.57 3.08 -1.14 -2.04 114.38 116.27 1l94 h ARG 76 Ca 0.16 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1l94 h ARG 76 Cb 0.26 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1l94 h ARG 76 CO -0.36 0.82 0.28 0.78 -1.07 0.00 0.00 179.97 180.42 1l94 h GLY 77 N 1.07 0.88 0.84 0.04 0.00 -0.24 -2.12 103.07 103.55 1l94 h GLY 77 Ca 0.23 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.17 1l94 h GLY 77 CO -0.02 0.41 0.32 -2.22 0.00 0.00 0.00 176.54 175.03 1l94 h ILE 78 N 0.78 1.04 0.00 2.60 2.04 -0.92 -1.94 117.51 121.11 1l94 h ILE 78 Ca 0.20 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1l94 h ILE 78 Cb 0.10 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1l94 h ILE 78 CO -0.03 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.42 1l94 n LEU 79 N -4.79 0.62 -0.00 1.44 4.77 -0.81 -2.05 117.00 116.18 1l94 n LEU 79 Ca 0.05 0.62 0.10 0.00 -0.03 0.00 0.00 56.01 56.75 1l94 n LEU 79 Cb 0.09 -0.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.56 1l94 n LEU 79 CO 0.32 -0.42 -0.18 0.54 -1.33 0.00 0.00 177.39 176.32 1l94 n ARG 80 N -2.15 0.14 -3.18 3.23 1.74 -0.83 -4.86 116.66 110.76 1l94 n ARG 80 Ca 0.03 -0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.68 1l94 n ARG 80 Cb 0.28 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1l94 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1l94 s ASN 81 N -3.34 6.72 0.51 0.55 3.84 -0.76 -4.95 114.94 117.50 1l94 s ASN 81 Ca 0.05 0.87 0.28 0.00 0.21 0.00 0.00 52.86 54.27 1l94 s ASN 81 Cb 0.16 -2.33 1.33 0.00 -0.55 0.00 0.00 41.25 39.85 1l94 s ASN 81 CO 0.87 -0.16 2.00 0.00 -2.79 0.00 0.00 177.10 177.02 1l94 h ALA 82 N 7.14 1.13 0.00 1.71 0.00 -1.92 -1.69 119.26 125.63 1l94 h ALA 82 Ca -0.36 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 1l94 h ALA 82 Cb 1.16 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1l94 h ALA 82 CO 0.76 0.16 -1.66 0.87 0.00 0.00 0.00 179.25 179.38 1l94 h LYS 83 N 0.00 0.00 0.17 0.00 6.56 -1.92 -3.41 116.57 117.97 1l94 h LYS 83 Ca -0.00 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.24 1l94 h LYS 83 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1l94 h LYS 83 CO 0.02 0.49 -1.77 -0.07 -2.06 0.00 0.00 179.45 176.06 1l94 h LEU 84 N 0.00 0.55 -0.60 2.94 3.38 -1.75 -3.39 115.31 116.43 1l94 h LEU 84 Ca -0.27 -0.93 0.12 0.00 0.09 0.00 0.00 57.88 56.90 1l94 h LEU 84 Cb 1.97 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 42.44 1l94 h LEU 84 CO 0.08 1.79 0.02 0.50 0.09 0.00 0.00 178.44 180.92 1l94 h LYS 85 N 0.04 0.13 -0.51 1.13 3.64 -1.14 -1.55 116.57 118.32 1l94 h LYS 85 Ca -0.36 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1l94 h LYS 85 Cb 2.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.81 1l94 h LYS 85 CO 0.14 0.09 0.13 -1.35 -2.27 0.00 0.00 179.45 176.20 1l94 h PRO 86 N 0.14 0.77 0.16 1.90 0.11 -1.80 0.98 132.00 134.26 1l94 h PRO 86 Ca 0.32 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1l94 h PRO 86 Cb 0.51 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1l94 h PRO 86 CO -0.50 0.69 -0.08 0.28 -0.21 0.00 0.00 178.00 178.19 1l94 h VAL 87 N 0.75 0.96 -0.31 3.15 2.07 -1.56 -2.40 116.25 118.91 1l94 h VAL 87 Ca 0.17 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.16 1l94 h VAL 87 Cb 0.26 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 1l94 h VAL 87 CO -0.00 0.14 -0.13 0.22 0.02 0.00 0.00 177.57 177.81 1l94 h TYR 88 N -0.50 -0.32 -0.56 1.57 3.20 -1.12 -1.74 116.97 117.50 1l94 h TYR 88 Ca -0.02 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1l94 h TYR 88 Cb 0.39 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1l94 h TYR 88 CO 0.02 -0.20 0.37 -0.44 -1.64 0.00 0.00 178.16 176.27 1l94 h ASP 89 N -0.08 0.48 0.98 -2.11 3.32 -0.77 -1.01 116.42 117.23 1l94 h ASP 89 Ca 0.16 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1l94 h ASP 89 Cb 0.32 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1l94 h ASP 89 CO -0.36 0.32 0.00 -1.54 -1.72 0.00 0.00 179.24 175.93 1l94 n SER 90 N -4.47 0.35 -4.96 6.45 3.41 -0.67 -4.91 113.62 108.80 1l94 n SER 90 Ca 0.07 0.55 -0.22 0.00 -0.26 0.00 0.00 58.87 59.02 1l94 n SER 90 Cb 0.22 -0.64 -0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1l94 n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1l94 s LEU 91 N -3.69 3.96 0.89 1.04 1.43 -0.39 -5.06 118.68 116.87 1l94 s LEU 91 Ca 0.10 0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.25 1l94 s LEU 91 Cb 0.13 -3.06 0.13 0.00 0.03 0.00 0.00 46.19 43.43 1l94 s LEU 91 CO 0.47 -0.40 1.18 1.51 0.23 0.00 0.00 176.35 179.34 1l94 s ASP 92 N -4.11 3.75 0.26 2.29 -4.77 -1.26 -4.79 116.67 108.03 1l94 s ASP 92 Ca 0.42 0.78 -0.04 0.00 -3.30 0.00 0.00 52.55 50.41 1l94 s ASP 92 Cb -0.10 -1.24 0.33 0.00 -1.09 0.00 0.00 42.92 40.83 1l94 s ASP 92 CO 0.34 -2.38 1.92 0.00 0.70 0.00 0.00 175.17 175.75 1l94 h ALA 93 N -1.39 1.34 0.02 2.11 0.00 -1.97 -1.41 119.26 117.96 1l94 h ALA 93 Ca -0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1l94 h ALA 93 Cb 1.32 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1l94 h ALA 93 CO 0.59 0.58 -0.01 0.28 0.00 0.00 0.00 179.25 180.69 1l94 h VAL 94 N 1.28 1.21 -0.53 0.00 2.07 -1.94 -2.77 116.25 115.57 1l94 h VAL 94 Ca 0.38 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1l94 h VAL 94 Cb -0.04 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1l94 h VAL 94 CO -0.11 0.19 0.27 0.03 0.02 0.00 0.00 177.57 177.97 1l94 h ARG 95 N -0.34 0.73 -0.77 1.57 3.08 -1.82 -1.21 114.38 115.63 1l94 h ARG 95 Ca -0.00 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.06 1l94 h ARG 95 Cb 0.33 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.16 1l94 h ARG 95 CO 0.00 0.56 0.42 0.00 -1.07 0.00 0.00 179.97 179.88 1l94 h ARG 96 N 0.74 0.69 -0.83 0.04 3.08 -1.14 -0.55 114.38 116.41 1l94 h ARG 96 Ca 0.19 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.27 1l94 h ARG 96 Cb 0.05 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.89 1l94 h ARG 96 CO -0.03 0.46 0.54 0.00 -1.07 0.00 0.00 179.97 179.87 1l94 h ALA 97 N 1.44 1.63 -0.72 0.04 0.00 -0.94 -1.70 119.26 119.00 1l94 h ALA 97 Ca 0.37 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1l94 h ALA 97 Cb 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1l94 h ALA 97 CO -0.25 0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.51 1l94 h ALA 98 N 1.56 0.93 -0.51 0.00 0.00 -0.83 -0.43 119.26 119.97 1l94 h ALA 98 Ca 0.37 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1l94 h ALA 98 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1l94 h ALA 98 CO -0.14 0.55 -0.13 0.28 0.00 0.00 0.00 179.25 179.82 1l94 h VAL 99 N 1.03 1.27 -0.79 0.00 2.07 -1.04 -2.20 116.25 116.59 1l94 h VAL 99 Ca 0.24 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1l94 h VAL 99 Cb 0.21 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1l94 h VAL 99 CO -0.02 0.45 0.33 0.40 0.02 0.00 0.00 177.57 178.75 1l94 h ILE 100 N 0.86 1.26 0.05 4.57 2.04 -0.97 -1.51 117.51 123.81 1l94 h ILE 100 Ca 0.13 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1l94 h ILE 100 Cb 0.68 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1l94 h ILE 100 CO 0.05 0.33 -0.07 -1.13 0.00 0.00 0.00 178.15 177.33 1l94 h ASN 101 N 1.14 -0.18 -0.68 1.72 -0.73 -0.81 -0.60 115.58 115.44 1l94 h ASN 101 Ca 0.27 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.51 1l94 h ASN 101 Cb 0.19 0.07 -0.05 0.00 0.27 0.00 0.00 38.32 38.80 1l94 h ASN 101 CO -0.03 -0.11 0.39 0.24 -0.37 0.00 0.00 177.43 177.56 1l94 h MET 102 N -0.14 0.71 -0.61 6.67 2.86 -1.16 -2.32 114.93 120.93 1l94 h MET 102 Ca 0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1l94 h MET 102 Cb 0.15 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1l94 h MET 102 CO -0.03 0.47 0.29 0.28 1.06 0.00 0.00 176.91 178.98 1l94 h VAL 103 N 0.73 1.21 -0.86 -2.22 2.07 -0.82 0.59 116.25 116.95 1l94 h VAL 103 Ca 0.30 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1l94 h VAL 103 Cb 0.16 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1l94 h VAL 103 CO -0.17 0.25 0.57 0.15 0.02 0.00 0.00 177.57 178.39 1l94 h PHE 104 N 0.84 1.07 0.16 1.57 3.04 -0.75 0.33 116.94 123.20 1l94 h PHE 104 Ca 0.21 0.03 -0.23 0.00 3.98 0.00 0.00 57.97 61.96 1l94 h PHE 104 Cb 0.12 -0.36 0.03 0.00 2.56 0.00 0.00 35.95 38.30 1l94 h PHE 104 CO 0.00 0.65 -0.99 0.37 -2.02 0.00 0.00 178.31 176.32 1l94 h GLN 105 N 1.14 0.39 0.00 1.11 4.15 -1.03 -3.40 115.11 117.46 1l94 h GLN 105 Ca 0.33 -0.63 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1l94 h GLN 105 Cb -0.08 0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1l94 h GLN 105 CO -0.08 1.30 0.00 0.00 -1.93 0.00 0.00 178.83 178.12 1l94 n MET 106 N -4.01 0.72 0.00 1.69 0.00 0.16 -5.11 117.12 110.57 1l94 n MET 106 Ca -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 57.70 56.65 1l94 n MET 106 Cb 0.90 -0.97 0.00 0.00 0.00 0.00 0.00 33.22 33.14 1l94 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1l94 n GLY 107 N -0.21 -2.42 0.37 3.17 0.00 0.12 -3.86 105.19 102.35 1l94 n GLY 107 Ca 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 46.02 44.67 1l94 n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1l94 h GLU 108 N 0.00 1.08 -0.37 1.61 4.81 -1.92 -2.27 114.58 117.53 1l94 h GLU 108 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1l94 h GLU 108 Cb 0.00 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 1l94 h GLU 108 CO 0.00 0.72 0.13 1.15 -0.73 0.00 0.00 179.01 180.27 1l94 h THR 109 N 1.11 1.20 0.10 0.32 2.02 -1.96 -0.96 112.91 114.75 1l94 h THR 109 Ca 0.36 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1l94 h THR 109 Cb 0.03 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1l94 h THR 109 CO -0.11 0.23 -0.22 1.23 0.37 0.00 0.00 175.52 177.02 1l94 h GLY 110 N 0.44 -0.39 0.99 2.16 0.00 -1.56 -1.72 103.07 102.99 1l94 h GLY 110 Ca 0.12 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1l94 h GLY 110 CO -0.01 -0.20 0.23 -2.08 0.00 0.00 0.00 176.54 174.49 1l94 h VAL 111 N -0.40 1.22 -0.05 4.60 2.07 -1.36 -1.48 116.25 120.85 1l94 h VAL 111 Ca 0.03 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1l94 h VAL 111 Cb 0.43 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1l94 h VAL 111 CO -0.13 0.27 0.10 0.00 0.02 0.00 0.00 177.57 177.83 1l94 h ALA 112 N 1.08 1.38 0.00 1.67 0.00 -0.93 0.25 119.26 122.70 1l94 h ALA 112 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1l94 h ALA 112 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1l94 h ALA 112 CO -0.02 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1l94 n GLY 113 N -1.24 -1.16 2.40 0.00 0.00 -0.56 -3.91 105.19 100.73 1l94 n GLY 113 Ca -0.02 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1l94 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1l94 n PHE 114 N -1.41 1.54 -0.32 1.61 3.01 0.86 -4.78 117.46 117.97 1l94 n PHE 114 Ca 0.07 -2.07 -0.12 0.00 1.01 0.00 0.00 57.45 56.34 1l94 n PHE 114 Cb 0.22 -1.54 -0.10 0.00 -0.01 0.00 0.00 39.48 38.05 1l94 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1l94 h THR 115 N 2.15 0.00 -0.63 4.37 2.02 -1.81 -1.33 112.91 117.69 1l94 h THR 115 Ca 0.44 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.61 1l94 h THR 115 Cb 0.76 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1l94 h THR 115 CO 0.91 0.00 0.36 0.78 0.37 0.00 0.00 175.52 177.95 1l94 h ASN 116 N -0.14 0.77 -0.72 4.18 2.35 -1.95 -2.34 115.58 117.72 1l94 h ASN 116 Ca 0.13 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1l94 h ASN 116 Cb 0.47 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1l94 h ASN 116 CO -0.82 0.62 0.25 0.28 -1.65 0.00 0.00 177.43 176.11 1l94 h SER 117 N 0.85 1.03 -0.81 5.81 0.02 -1.85 -1.30 113.55 117.31 1l94 h SER 117 Ca 0.22 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1l94 h SER 117 Cb 0.01 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1l94 h SER 117 CO -0.04 0.95 0.41 -0.07 -1.14 0.00 0.00 176.83 176.94 1l94 h LEU 118 N 1.06 1.04 -0.56 5.07 3.38 -1.07 0.51 115.31 124.74 1l94 h LEU 118 Ca 0.24 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1l94 h LEU 118 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1l94 h LEU 118 CO -0.01 0.86 -0.37 -0.09 0.09 0.00 0.00 178.44 178.92 1l94 h ARG 119 N 1.15 0.74 -0.35 1.13 2.43 -1.14 -1.54 114.38 116.81 1l94 h ARG 119 Ca 0.28 -0.37 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 1l94 h ARG 119 Cb 0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1l94 h ARG 119 CO -0.04 0.99 -0.30 0.52 -1.51 0.00 0.00 179.97 179.64 1l94 h MET 120 N 0.61 0.74 -0.39 0.20 2.86 -0.77 -2.22 114.93 115.96 1l94 h MET 120 Ca 0.06 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.32 1l94 h MET 120 Cb 0.92 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1l94 h MET 120 CO 0.08 0.94 0.08 -0.07 1.06 0.00 0.00 176.91 179.01 1l94 h LEU 121 N 0.63 0.61 -1.60 1.22 3.38 -0.58 -1.93 115.31 117.04 1l94 h LEU 121 Ca 0.07 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1l94 h LEU 121 Cb 0.82 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1l94 h LEU 121 CO 0.07 0.70 0.28 -0.61 0.09 0.00 0.00 178.44 178.97 1l94 h GLN 122 N 0.50 0.54 -0.00 1.13 4.15 -1.18 0.90 115.11 121.14 1l94 h GLN 122 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1l94 h GLN 122 Cb 0.34 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1l94 h GLN 122 CO 0.00 0.36 -0.06 1.04 -1.93 0.00 0.00 178.83 178.24 1l94 n GLN 123 N -4.47 0.89 -2.81 1.69 6.02 -0.85 -4.93 117.38 112.92 1l94 n GLN 123 Ca 0.03 -0.26 -0.18 0.00 -0.01 0.00 0.00 57.00 56.58 1l94 n GLN 123 Cb 0.07 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 29.86 1l94 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1l94 n LYS 124 N -0.83 -3.70 -3.17 -1.09 5.02 0.31 -4.95 118.16 109.76 1l94 n LYS 124 Ca 0.17 0.76 -0.44 0.00 -2.02 0.00 0.00 58.31 56.78 1l94 n LYS 124 Cb 0.24 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1l94 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1l94 n ARG 125 N -3.34 3.88 -0.00 1.97 1.74 -0.80 -4.91 116.66 115.20 1l94 n ARG 125 Ca -0.11 -4.43 -0.09 0.00 -0.77 0.00 0.00 57.85 52.45 1l94 n ARG 125 Cb 0.61 -2.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.44 1l94 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1l94 h TRP 126 N 6.21 -0.54 -0.72 -1.55 -0.00 -1.90 -0.91 115.95 116.55 1l94 h TRP 126 Ca 0.20 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.08 1l94 h TRP 126 Cb 0.77 0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 30.16 1l94 h TRP 126 CO 0.88 -0.28 0.28 -0.44 -0.00 0.00 0.00 178.44 178.87 1l94 h ASP 127 N -0.26 1.00 -0.31 -3.49 5.19 -1.91 -1.49 116.42 115.15 1l94 h ASP 127 Ca 0.10 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 56.21 1l94 h ASP 127 Cb 0.41 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1l94 h ASP 127 CO -0.29 0.90 -0.26 -0.33 -3.12 0.00 0.00 179.24 176.14 1l94 h GLU 128 N 1.03 0.81 -0.61 3.56 5.08 -1.93 -2.58 114.58 119.94 1l94 h GLU 128 Ca 0.24 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1l94 h GLU 128 Cb 0.23 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1l94 h GLU 128 CO -0.02 0.98 0.02 0.00 -1.00 0.00 0.00 179.01 179.00 1l94 h ALA 129 N 1.00 0.82 -0.88 3.43 0.00 -0.94 -2.14 119.26 120.55 1l94 h ALA 129 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1l94 h ALA 129 Cb 0.80 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1l94 h ALA 129 CO 0.07 0.64 0.51 0.00 0.00 0.00 0.00 179.25 180.47 1l94 h ALA 130 N 0.99 1.12 -0.26 0.00 0.00 -1.08 0.18 119.26 120.22 1l94 h ALA 130 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1l94 h ALA 130 Cb 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1l94 h ALA 130 CO 0.03 0.60 0.04 0.28 0.00 0.00 0.00 179.25 180.20 1l94 h VAL 131 N 1.22 1.23 -0.57 0.00 2.07 -1.32 -2.92 116.25 115.96 1l94 h VAL 131 Ca 0.31 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 1l94 h VAL 131 Cb -0.02 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1l94 h VAL 131 CO -0.06 0.25 -0.03 -1.13 0.02 0.00 0.00 177.57 176.63 1l94 h ASN 132 N 0.24 0.98 -0.27 0.57 -0.73 -1.11 -2.75 115.58 112.52 1l94 h ASN 132 Ca 0.08 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1l94 h ASN 132 Cb 0.34 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 1l94 h ASN 132 CO 0.01 1.05 0.18 -0.07 -0.37 0.00 0.00 177.43 178.23 1l94 h LEU 133 N 0.91 0.31 -1.23 0.34 3.38 -0.61 -2.55 115.31 115.86 1l94 h LEU 133 Ca 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1l94 h LEU 133 Cb 0.57 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1l94 h LEU 133 CO 0.03 0.22 -0.02 0.00 0.09 0.00 0.00 178.44 178.76 1l94 h ALA 134 N 1.83 1.00 -0.54 1.53 0.00 -1.29 -3.35 119.26 118.44 1l94 h ALA 134 Ca 0.10 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.25 1l94 h ALA 134 Cb -0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 1l94 h ALA 134 CO -0.02 0.03 2.54 1.63 0.00 0.00 0.00 179.25 183.43 1l94 n LYS 135 N -3.12 3.54 -3.76 0.00 5.02 -0.96 -4.67 118.16 114.20 1l94 n LYS 135 Ca 0.01 -3.15 -0.10 0.00 -2.02 0.00 0.00 58.31 53.05 1l94 n LYS 135 Cb 0.35 -2.98 -0.07 0.00 -0.02 0.00 0.00 35.03 32.31 1l94 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1l94 s SER 136 N 1.55 -0.06 0.28 4.39 1.04 -1.26 -5.02 113.70 114.62 1l94 s SER 136 Ca 0.46 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.47 1l94 s SER 136 Cb 0.13 0.38 0.38 0.00 0.10 0.00 0.00 66.02 67.01 1l94 s SER 136 CO -0.04 -0.72 1.90 -0.09 0.98 0.00 0.00 173.24 175.28 1l94 h ARG 137 N 2.83 1.05 -0.46 4.02 2.43 -1.93 -2.39 114.38 119.94 1l94 h ARG 137 Ca -0.33 -0.12 0.09 0.00 -0.81 0.00 0.00 59.98 58.82 1l94 h ARG 137 Cb 1.21 -0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 30.46 1l94 h ARG 137 CO 0.50 0.77 -0.22 2.35 -1.51 0.00 0.00 179.97 181.87 1l94 h TRP 138 N 1.06 -0.55 -0.48 2.20 7.01 -1.94 0.40 115.95 123.65 1l94 h TRP 138 Ca 0.27 0.05 -0.11 0.00 2.11 0.00 0.00 58.89 61.21 1l94 h TRP 138 Cb 0.03 0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1l94 h TRP 138 CO 0.01 -0.30 -0.12 -0.92 -2.79 0.00 0.00 178.44 174.32 1l94 h TYR 139 N -0.12 1.04 -0.28 2.65 3.20 -1.80 -1.29 116.97 120.36 1l94 h TYR 139 Ca 0.22 -0.22 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1l94 h TYR 139 Cb 0.46 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1l94 h TYR 139 CO -0.48 1.00 -0.27 -0.91 -1.64 0.00 0.00 178.16 175.87 1l94 h ASN 140 N 0.77 0.57 0.09 -2.11 4.21 -0.68 -2.32 115.58 116.10 1l94 h ASN 140 Ca 0.12 -0.20 -0.15 0.00 1.21 0.00 0.00 56.30 57.28 1l94 h ASN 140 Cb 0.67 -0.16 0.02 0.00 -1.12 0.00 0.00 38.32 37.73 1l94 h ASN 140 CO 0.05 0.82 -0.63 1.56 -1.29 0.00 0.00 177.43 177.93 1l94 h GLN 141 N 0.49 0.28 -2.15 0.81 1.08 -0.17 -3.39 115.11 112.06 1l94 h GLN 141 Ca 0.07 -0.41 -0.59 0.00 -1.45 0.00 0.00 58.65 56.26 1l94 h GLN 141 Cb 0.72 0.15 -0.41 0.00 -0.05 0.00 0.00 27.48 27.88 1l94 h GLN 141 CO 0.06 1.16 -0.72 0.25 -0.95 0.00 0.00 178.83 178.63 1l94 n THR 142 N -4.23 1.67 -0.19 -0.54 -2.24 -0.50 -4.97 114.28 103.28 1l94 n THR 142 Ca -0.12 -4.95 0.02 0.00 -2.27 0.00 0.00 64.05 56.73 1l94 n THR 142 Cb 0.73 -2.03 0.29 0.00 -2.10 0.00 0.00 70.33 67.22 1l94 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1l94 h PRO 143 N 4.08 0.89 -0.28 -0.78 0.13 -1.62 -1.46 132.00 132.96 1l94 h PRO 143 Ca 0.17 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 1l94 h PRO 143 Cb 0.71 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1l94 h PRO 143 CO 0.75 0.59 -0.42 -0.91 -0.23 0.00 0.00 178.00 177.78 1l94 h ASN 144 N 0.91 0.86 -0.17 1.44 2.35 -1.93 -1.40 115.58 117.64 1l94 h ASN 144 Ca 0.28 -0.51 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 1l94 h ASN 144 Cb -0.01 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1l94 h ASN 144 CO -0.07 1.20 -0.23 -0.09 -1.65 0.00 0.00 177.43 176.59 1l94 h ARG 145 N 0.54 0.46 -0.43 0.81 2.43 -1.96 -2.74 114.38 113.49 1l94 h ARG 145 Ca 0.03 -0.26 0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1l94 h ARG 145 Cb 1.02 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.53 1l94 h ARG 145 CO 0.10 0.85 0.12 0.00 -1.51 0.00 0.00 179.97 179.53 1l94 h ALA 146 N 0.60 0.50 -0.96 2.80 0.00 -1.27 -1.24 119.26 119.69 1l94 h ALA 146 Ca 0.02 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1l94 h ALA 146 Cb 0.79 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1l94 h ALA 146 CO 0.05 -0.27 0.62 0.87 0.00 0.00 0.00 179.25 180.52 1l94 h LYS 147 N 0.27 0.93 -0.17 0.00 1.57 -1.26 0.10 116.57 118.02 1l94 h LYS 147 Ca 0.21 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1l94 h LYS 147 Cb 0.23 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1l94 h LYS 147 CO -0.24 0.62 0.07 0.00 -0.57 0.00 0.00 179.45 179.33 1l94 h ARG 148 N 0.96 0.25 -0.59 3.15 3.08 -1.04 -0.72 114.38 119.46 1l94 h ARG 148 Ca 0.46 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.44 1l94 h ARG 148 Cb 0.46 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1l94 h ARG 148 CO -0.23 0.32 0.24 0.28 -1.07 0.00 0.00 179.97 179.51 1l94 h VAL 149 N 0.12 1.23 -0.82 2.04 2.07 -0.28 -2.21 116.25 118.40 1l94 h VAL 149 Ca 0.06 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1l94 h VAL 149 Cb 0.16 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1l94 h VAL 149 CO -0.01 0.27 0.37 0.40 0.02 0.00 0.00 177.57 178.63 1l94 h ILE 150 N 0.81 1.26 -0.48 4.57 2.04 -0.77 -2.06 117.51 122.88 1l94 h ILE 150 Ca 0.20 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1l94 h ILE 150 Cb 0.19 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1l94 h ILE 150 CO -0.02 0.32 -0.03 0.74 0.00 0.00 0.00 178.15 179.16 1l94 h THR 151 N 1.18 1.25 -0.89 -0.27 2.02 -0.88 -0.94 112.91 114.38 1l94 h THR 151 Ca 0.28 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1l94 h THR 151 Cb 0.15 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1l94 h THR 151 CO -0.03 0.38 0.51 0.74 0.37 0.00 0.00 175.52 177.49 1l94 h THR 152 N 0.76 1.25 -0.34 3.16 2.02 -0.84 -0.26 112.91 118.66 1l94 h THR 152 Ca 0.14 -0.58 -0.14 0.00 0.77 0.00 0.00 66.41 66.60 1l94 h THR 152 Cb 0.51 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1l94 h THR 152 CO 0.03 0.27 -0.34 -0.26 0.37 0.00 0.00 175.52 175.59 1l94 h PHE 153 N 1.23 1.00 -0.34 3.16 0.04 -0.99 -0.53 116.94 120.51 1l94 h PHE 153 Ca 0.32 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1l94 h PHE 153 Cb -0.01 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1l94 h PHE 153 CO 0.00 1.09 0.08 -0.09 -0.60 0.00 0.00 178.31 178.80 1l94 h ARG 154 N 0.62 0.55 0.01 1.51 2.43 -0.95 -3.36 114.38 115.19 1l94 h ARG 154 Ca 0.06 -0.14 -0.35 0.00 -0.81 0.00 0.00 59.98 58.74 1l94 h ARG 154 Cb 0.92 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 1l94 h ARG 154 CO 0.08 0.61 -2.18 0.25 -1.51 0.00 0.00 179.97 177.23 1l94 n THR 155 N -4.62 1.49 -1.06 0.20 -2.24 -0.13 -4.80 114.28 103.14 1l94 n THR 155 Ca -0.01 -0.79 -0.02 0.00 -2.27 0.00 0.00 64.05 60.95 1l94 n THR 155 Cb 0.20 -0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 67.58 1l94 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l94 n GLY 156 N 1.77 0.55 3.60 3.38 0.00 -0.21 -5.02 105.19 109.27 1l94 n GLY 156 Ca -0.30 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1l94 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l94 s THR 157 N -2.00 1.30 -1.06 2.61 -4.23 -1.26 -4.79 115.64 106.22 1l94 s THR 157 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1l94 s THR 157 Cb 0.00 -2.58 0.61 0.00 1.34 0.00 0.00 72.50 71.87 1l94 s THR 157 CO 0.00 0.00 1.49 0.79 -0.54 0.00 0.00 174.62 176.36 1l94 n TRP 158 N -0.98 1.33 -0.29 3.99 7.02 -1.26 -4.58 117.44 122.67 1l94 n TRP 158 Ca -0.09 -0.51 0.11 0.00 -1.02 0.00 0.00 57.50 55.99 1l94 n TRP 158 Cb 0.67 -0.26 0.26 0.00 -2.42 0.00 0.00 31.31 29.56 1l94 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1l94 h ASP 159 N 3.36 -0.09 0.28 -0.99 3.32 -1.96 0.41 116.42 120.76 1l94 h ASP 159 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1l94 h ASP 159 Cb 1.33 0.29 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1l94 h ASP 159 CO 0.24 -0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 1l94 h ALA 160 N 1.77 1.00 -0.32 3.45 0.00 -1.89 -0.53 119.26 122.74 1l94 h ALA 160 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1l94 h ALA 160 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1l94 h ALA 160 CO -0.66 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.25 1l94 n TYR 161 N -2.91 0.41 0.51 0.00 4.02 0.12 -4.99 117.16 114.32 1l94 n TYR 161 Ca -0.02 -0.32 0.06 0.00 -0.01 0.00 0.00 57.90 57.61 1l94 n TYR 161 Cb 0.13 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.49 1l94 n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48