#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qt3 s ASN 2 N 0.00 0.46 0.29 6.12 2.20 -1.26 -5.02 114.94 117.73 1qt3 s ASN 2 Ca 0.00 -1.27 0.03 0.00 -0.94 0.00 0.00 52.86 50.68 1qt3 s ASN 2 Cb 0.00 0.70 0.63 0.00 -2.00 0.00 0.00 41.25 40.58 1qt3 s ASN 2 CO 0.00 -1.37 1.81 -0.29 -2.94 0.00 0.00 177.10 174.31 1qt3 h ILE 3 N 2.11 0.83 -0.10 0.54 6.09 -1.97 -0.32 117.51 124.68 1qt3 h ILE 3 Ca -0.29 -0.31 -0.01 0.00 -1.37 0.00 0.00 64.86 62.89 1qt3 h ILE 3 Cb 1.24 -0.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.39 1qt3 h ILE 3 CO 0.38 0.16 0.03 -0.26 -3.07 0.00 0.00 178.15 175.40 1qt3 h PHE 4 N 0.89 0.17 -0.53 2.19 -1.00 -1.98 0.31 116.94 116.99 1qt3 h PHE 4 Ca 0.53 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 61.21 1qt3 h PHE 4 Cb 0.66 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 1qt3 h PHE 4 CO -0.01 0.31 -0.01 0.93 -1.61 0.00 0.00 178.31 177.92 1qt3 h GLU 5 N -0.02 0.90 -0.03 1.51 5.08 -1.84 -0.05 114.58 120.14 1qt3 h GLU 5 Ca 0.03 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1qt3 h GLU 5 Cb 0.22 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1qt3 h GLU 5 CO -0.00 0.91 0.01 1.98 -1.00 0.00 0.00 179.01 180.90 1qt3 h MET 6 N 0.83 0.04 0.00 2.33 4.05 -0.81 -2.60 114.93 118.78 1qt3 h MET 6 Ca 0.15 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.47 1qt3 h MET 6 Cb 0.51 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1qt3 h MET 6 CO 0.03 0.27 -0.42 -0.07 0.23 0.00 0.00 176.91 176.95 1qt3 h LEU 7 N -0.20 0.00 -1.56 3.39 3.38 -0.30 -1.96 115.31 118.06 1qt3 h LEU 7 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1qt3 h LEU 7 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1qt3 h LEU 7 CO 0.00 0.42 -0.23 -0.09 0.09 0.00 0.00 178.44 178.63 1qt3 h ARG 8 N 0.00 0.00 -0.04 1.13 9.65 -0.85 0.10 114.38 124.38 1qt3 h ARG 8 Ca -0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 1qt3 h ARG 8 Cb 0.76 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.35 1qt3 h ARG 8 CO 0.06 0.23 -0.49 0.82 2.80 0.00 0.00 179.97 183.39 1qt3 h ILE 9 N 0.00 1.43 -0.01 1.20 2.04 -1.05 -1.72 117.51 119.39 1qt3 h ILE 9 Ca -0.00 -1.94 -0.12 0.00 1.00 0.00 0.00 64.86 63.80 1qt3 h ILE 9 Cb 0.44 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 1qt3 h ILE 9 CO 0.03 0.56 -0.55 0.44 0.00 0.00 0.00 178.15 178.64 1qt3 h ASP 10 N -0.11 0.04 0.00 1.72 3.32 -1.00 -3.33 116.42 117.06 1qt3 h ASP 10 Ca -0.05 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 1qt3 h ASP 10 Cb 1.18 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1qt3 h ASP 10 CO 0.10 0.58 -1.95 -0.62 -1.72 0.00 0.00 179.24 175.62 1qt3 n GLU 11 N -3.89 0.75 0.00 3.56 -0.58 0.32 -5.08 120.64 115.72 1qt3 n GLU 11 Ca -0.01 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1qt3 n GLU 11 Cb 0.56 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1qt3 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qt3 n GLY 12 N 1.59 -2.14 2.76 0.62 0.00 -0.65 -4.52 105.19 102.85 1qt3 n GLY 12 Ca -0.11 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.26 1qt3 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qt3 s LEU 13 N 0.00 -0.00 -0.08 0.99 2.96 -1.26 -4.27 118.68 117.02 1qt3 s LEU 13 Ca 0.00 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1qt3 s LEU 13 Cb 0.00 0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.91 1qt3 s LEU 13 CO 0.00 -0.30 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.48 1qt3 s ARG 14 N 2.27 1.75 0.00 1.98 0.52 -0.86 -5.01 118.95 119.62 1qt3 s ARG 14 Ca 0.04 -0.42 0.28 0.00 -0.52 0.00 0.00 55.73 55.12 1qt3 s ARG 14 Cb -0.14 -1.49 1.11 0.00 0.52 0.00 0.00 34.95 34.95 1qt3 s ARG 14 CO -0.09 -0.01 1.78 1.28 0.02 0.00 0.00 175.30 178.28 1qt3 n LEU 15 N 3.97 1.27 -4.26 2.53 4.77 -1.26 -0.11 117.00 123.90 1qt3 n LEU 15 Ca -0.21 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.14 1qt3 n LEU 15 Cb 0.51 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1qt3 n LEU 15 CO 0.24 0.21 -0.50 -0.75 -1.33 0.00 0.00 177.39 175.27 1qt3 s LYS 16 N -2.07 1.06 0.29 3.23 2.20 -1.26 -2.28 119.74 120.90 1qt3 s LYS 16 Ca 0.37 -1.14 -0.28 0.00 -0.36 0.00 0.00 55.97 54.56 1qt3 s LYS 16 Cb 0.21 -1.22 -0.14 0.00 -1.51 0.00 0.00 37.83 35.17 1qt3 s LYS 16 CO 0.36 0.27 1.00 -0.89 -0.36 0.00 0.00 175.35 175.74 1qt3 n ILE 17 N 1.02 1.98 -3.95 5.43 5.41 -1.01 -4.72 119.36 123.52 1qt3 n ILE 17 Ca -0.19 -0.49 -0.09 0.00 1.00 0.00 0.00 62.75 62.97 1qt3 n ILE 17 Cb 0.54 -0.98 -0.07 0.00 -0.71 0.00 0.00 39.64 38.42 1qt3 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1qt3 s TYR 18 N -1.04 0.38 -0.11 1.39 -0.85 -0.32 -4.99 117.35 111.81 1qt3 s TYR 18 Ca 0.59 -0.76 -0.12 0.00 -0.52 0.00 0.00 57.07 56.25 1qt3 s TYR 18 Cb -0.71 -0.09 -0.05 0.00 0.38 0.00 0.00 41.96 41.50 1qt3 s TYR 18 CO 0.60 -0.67 0.28 0.15 -1.52 0.00 0.00 175.55 174.39 1qt3 s LYS 19 N -3.95 3.98 0.35 -3.49 1.02 -1.26 -1.01 119.74 115.39 1qt3 s LYS 19 Ca 0.15 0.10 -0.05 0.00 0.02 0.00 0.00 55.97 56.19 1qt3 s LYS 19 Cb 0.04 -3.32 0.08 0.00 -0.52 0.00 0.00 37.83 34.11 1qt3 s LYS 19 CO -0.02 0.47 0.48 -0.40 -0.92 0.00 0.00 175.35 174.96 1qt3 n ASP 20 N 2.79 0.09 0.32 2.83 3.85 0.14 -4.86 116.55 121.71 1qt3 n ASP 20 Ca -0.14 -1.21 0.20 0.00 -0.71 0.00 0.00 54.79 52.93 1qt3 n ASP 20 Cb 0.53 -0.36 1.08 0.00 -1.35 0.00 0.00 41.12 41.02 1qt3 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1qt3 h THR 21 N -1.19 0.15 -0.26 2.12 1.35 -1.98 -2.05 112.91 111.06 1qt3 h THR 21 Ca -0.16 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1qt3 h THR 21 Cb 0.44 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1qt3 h THR 21 CO 0.12 0.01 0.00 -0.62 -0.25 0.00 0.00 175.52 174.77 1qt3 n GLU 22 N -3.28 2.41 -0.29 4.72 -0.58 -1.26 -4.97 120.64 117.40 1qt3 n GLU 22 Ca -0.03 -2.11 0.00 0.00 -0.42 0.00 0.00 57.16 54.61 1qt3 n GLU 22 Cb 0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1qt3 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qt3 n GLY 23 N 1.44 1.22 3.87 0.62 0.00 -0.77 -5.06 105.19 106.51 1qt3 n GLY 23 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1qt3 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qt3 s TYR 24 N -2.85 3.21 -0.12 1.61 4.12 -1.26 -4.62 117.35 117.43 1qt3 s TYR 24 Ca 0.00 1.07 -0.19 0.00 0.02 0.00 0.00 57.07 57.97 1qt3 s TYR 24 Cb 0.00 -3.08 -0.04 0.00 -1.52 0.00 0.00 41.96 37.32 1qt3 s TYR 24 CO 0.00 -1.32 0.51 0.71 0.02 0.00 0.00 175.55 175.48 1qt3 s TYR 25 N -3.31 3.50 0.38 2.71 1.51 -0.69 0.29 117.35 121.73 1qt3 s TYR 25 Ca 0.59 0.92 0.05 0.00 -1.01 0.00 0.00 57.07 57.61 1qt3 s TYR 25 Cb -0.12 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 1qt3 s TYR 25 CO 0.52 0.12 0.17 -0.51 -1.11 0.00 0.00 175.55 174.74 1qt3 s ASP 26 N 0.73 2.37 0.15 2.29 1.11 -0.18 -0.22 116.67 122.92 1qt3 s ASP 26 Ca 0.27 -1.68 -0.17 0.00 0.18 0.00 0.00 52.55 51.15 1qt3 s ASP 26 Cb -0.15 0.51 0.03 0.00 1.07 0.00 0.00 42.92 44.38 1qt3 s ASP 26 CO 0.11 -0.96 0.45 -0.51 1.18 0.00 0.00 175.17 175.44 1qt3 s ILE 27 N -3.32 0.05 0.00 0.77 2.07 -0.69 -1.18 121.20 118.91 1qt3 s ILE 27 Ca 0.29 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.88 1qt3 s ILE 27 Cb 0.03 -1.34 0.00 0.00 0.13 0.00 0.00 42.46 41.28 1qt3 s ILE 27 CO 0.18 -0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 1qt3 n GLY 28 N -0.27 1.67 3.03 1.50 0.00 0.84 -1.78 105.19 110.18 1qt3 n GLY 28 Ca -0.14 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1qt3 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qt3 n ILE 29 N 0.00 4.61 -2.30 -0.61 5.41 -1.26 -2.02 119.36 123.19 1qt3 n ILE 29 Ca 0.00 -5.65 -0.12 0.00 1.00 0.00 0.00 62.75 57.97 1qt3 n ILE 29 Cb 0.00 -2.23 -0.00 0.00 -0.71 0.00 0.00 39.64 36.70 1qt3 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qt3 n GLY 30 N 1.67 -0.11 3.55 7.39 0.00 -1.25 -4.90 105.19 111.55 1qt3 n GLY 30 Ca 0.26 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1qt3 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qt3 s HIS 31 N -2.65 2.93 0.01 1.61 5.04 -0.73 -4.93 115.29 116.57 1qt3 s HIS 31 Ca 0.03 0.26 -0.30 0.00 -1.54 0.00 0.00 55.06 53.51 1qt3 s HIS 31 Cb -0.01 -3.89 -0.06 0.00 0.04 0.00 0.00 32.58 28.66 1qt3 s HIS 31 CO 0.03 -1.10 1.48 -1.17 -2.34 0.00 0.00 174.74 171.65 1qt3 s LEU 32 N 3.63 4.33 -0.17 8.88 2.96 -1.26 -1.70 118.68 135.34 1qt3 s LEU 32 Ca 0.34 2.21 -0.13 0.00 -0.22 0.00 0.00 54.13 56.32 1qt3 s LEU 32 Cb -0.11 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 1qt3 s LEU 32 CO 0.24 -0.78 -0.16 0.18 -1.32 0.00 0.00 176.35 174.51 1qt3 n LEU 33 N 5.58 1.85 -3.65 -0.68 4.77 0.70 -4.97 117.00 120.60 1qt3 n LEU 33 Ca 0.14 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.49 1qt3 n LEU 33 Cb 0.43 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1qt3 n LEU 33 CO 0.60 -0.23 0.23 0.28 -1.33 0.00 0.00 177.39 176.93 1qt3 s THR 34 N -2.42 0.02 -0.80 -5.08 -1.32 -1.11 -4.95 115.64 99.99 1qt3 s THR 34 Ca -0.22 -0.20 0.25 0.00 -1.21 0.00 0.00 61.69 60.31 1qt3 s THR 34 Cb 0.04 -0.79 0.03 0.00 -1.51 0.00 0.00 72.50 70.27 1qt3 s THR 34 CO 0.34 -0.11 1.37 0.29 -2.21 0.00 0.00 174.62 174.31 1qt3 n LYS 35 N 1.35 0.16 -2.54 7.08 5.02 -1.26 -1.70 118.16 126.27 1qt3 n LYS 35 Ca -0.19 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.80 1qt3 n LYS 35 Cb 0.56 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 1qt3 n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qt3 s SER 36 N -3.67 6.42 0.00 4.39 1.04 -1.26 -4.86 113.70 115.76 1qt3 s SER 36 Ca 0.08 1.96 0.21 0.00 0.48 0.00 0.00 55.95 58.68 1qt3 s SER 36 Cb 0.15 -2.57 1.16 0.00 0.10 0.00 0.00 66.02 64.87 1qt3 s SER 36 CO 0.71 -0.73 1.66 -0.81 0.98 0.00 0.00 173.24 175.05 1qt3 n PRO 37 N -0.78 0.47 -3.38 4.02 -0.04 -1.26 -4.69 135.00 129.33 1qt3 n PRO 37 Ca 0.08 0.05 -0.37 0.00 -0.04 0.00 0.00 63.50 63.22 1qt3 n PRO 37 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1qt3 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qt3 s SER 38 N -2.31 6.59 0.46 3.54 0.15 -1.26 -4.94 113.70 115.92 1qt3 s SER 38 Ca 0.25 0.69 0.25 0.00 0.70 0.00 0.00 55.95 57.85 1qt3 s SER 38 Cb 0.14 -2.25 1.03 0.00 -1.71 0.00 0.00 66.02 63.23 1qt3 s SER 38 CO 0.29 0.02 1.87 0.25 1.20 0.00 0.00 173.24 176.86 1qt3 h LEU 39 N 6.83 0.00 -0.09 3.45 5.85 -1.99 -1.98 115.31 127.38 1qt3 h LEU 39 Ca -0.40 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.13 1qt3 h LEU 39 Cb 1.17 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.21 1qt3 h LEU 39 CO 0.75 0.19 -0.67 0.78 -0.34 0.00 0.00 178.44 179.15 1qt3 h ASN 40 N 0.00 0.74 -0.69 1.25 2.35 -1.98 -0.96 115.58 116.28 1qt3 h ASN 40 Ca -0.00 -0.67 0.08 0.00 -0.55 0.00 0.00 56.30 55.16 1qt3 h ASN 40 Cb 0.68 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 1qt3 h ASN 40 CO 0.02 1.30 0.36 0.00 -1.65 0.00 0.00 177.43 177.46 1qt3 h ALA 41 N 0.46 0.94 -0.73 -0.83 0.00 -1.85 -0.43 119.26 116.82 1qt3 h ALA 41 Ca -0.06 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1qt3 h ALA 41 Cb 1.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1qt3 h ALA 41 CO 0.14 -0.02 0.25 0.00 0.00 0.00 0.00 179.25 179.62 1qt3 h ALA 42 N 1.40 1.07 -0.08 0.00 0.00 -1.29 -0.61 119.26 119.75 1qt3 h ALA 42 Ca 0.33 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1qt3 h ALA 42 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qt3 h ALA 42 CO -0.24 0.64 -0.47 0.87 0.00 0.00 0.00 179.25 180.05 1qt3 h LYS 43 N 1.07 0.19 -0.19 0.00 1.57 -0.20 0.03 116.57 119.05 1qt3 h LYS 43 Ca 0.24 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1qt3 h LYS 43 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1qt3 h LYS 43 CO -0.01 0.63 -0.25 1.03 -0.57 0.00 0.00 179.45 180.27 1qt3 h SER 44 N 0.15 0.55 -0.65 0.86 0.87 -0.78 -1.25 113.55 113.30 1qt3 h SER 44 Ca 0.01 -0.51 -0.06 0.00 -1.23 0.00 0.00 61.79 60.00 1qt3 h SER 44 Cb 0.90 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1qt3 h SER 44 CO 0.07 0.95 0.16 -0.33 -0.53 0.00 0.00 176.83 177.15 1qt3 h GLU 45 N 0.16 1.04 -0.49 2.24 4.39 -0.96 -2.27 114.58 118.69 1qt3 h GLU 45 Ca 0.02 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.50 1qt3 h GLU 45 Cb 0.82 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1qt3 h GLU 45 CO 0.06 0.93 0.28 1.25 -1.16 0.00 0.00 179.01 180.37 1qt3 h LEU 46 N 0.96 0.45 -1.04 1.33 5.85 -0.82 0.14 115.31 122.19 1qt3 h LEU 46 Ca 0.20 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 1qt3 h LEU 46 Cb 0.36 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1qt3 h LEU 46 CO 0.00 0.32 -0.20 0.44 -0.34 0.00 0.00 178.44 178.67 1qt3 h ASP 47 N 0.57 0.45 -0.49 1.25 3.32 -1.04 -1.19 116.42 119.28 1qt3 h ASP 47 Ca 0.20 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 1qt3 h ASP 47 Cb 0.03 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1qt3 h ASP 47 CO -0.10 0.66 -0.20 0.50 -1.72 0.00 0.00 179.24 178.38 1qt3 h LYS 48 N 0.41 1.01 -0.40 3.56 3.64 -1.14 0.64 116.57 124.29 1qt3 h LYS 48 Ca 0.07 -0.43 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 1qt3 h LYS 48 Cb 0.58 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1qt3 h LYS 48 CO 0.04 1.11 -0.23 0.00 -2.27 0.00 0.00 179.45 178.09 1qt3 h ALA 49 N 0.88 0.84 0.00 5.00 0.00 -0.16 -3.23 119.26 122.59 1qt3 h ALA 49 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1qt3 h ALA 49 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qt3 h ALA 49 CO 0.07 0.64 -0.96 -0.89 0.00 0.00 0.00 179.25 178.10 1qt3 n ILE 50 N -4.11 0.58 -2.33 0.00 2.08 -0.50 -4.98 119.36 110.10 1qt3 n ILE 50 Ca -0.00 -0.51 -0.05 0.00 0.56 0.00 0.00 62.75 62.75 1qt3 n ILE 50 Cb 0.44 -0.30 0.01 0.00 -0.75 0.00 0.00 39.64 39.04 1qt3 n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qt3 n GLY 51 N 1.20 0.33 3.54 7.39 0.00 0.22 -5.02 105.19 112.85 1qt3 n GLY 51 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 1qt3 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qt3 s ARG 52 N -4.63 0.94 -0.59 1.61 1.70 -0.87 -5.04 118.95 112.08 1qt3 s ARG 52 Ca 0.05 -0.38 -0.28 0.00 -0.47 0.00 0.00 55.73 54.65 1qt3 s ARG 52 Cb -0.02 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 1qt3 s ARG 52 CO 0.06 -0.42 1.40 1.21 -1.08 0.00 0.00 175.30 176.48 1qt3 s ASN 53 N -2.59 6.11 -0.06 -2.89 3.04 -1.26 -4.39 114.94 112.91 1qt3 s ASN 53 Ca 0.06 0.19 -0.06 0.00 0.04 0.00 0.00 52.86 53.08 1qt3 s ASN 53 Cb -0.01 -2.55 -0.28 0.00 -1.54 0.00 0.00 41.25 36.87 1qt3 s ASN 53 CO -0.07 -1.74 0.62 0.71 -3.04 0.00 0.00 177.10 173.58 1qt3 h THR 54 N 6.34 0.89 -3.32 -5.21 1.35 -1.90 -3.49 112.91 107.57 1qt3 h THR 54 Ca -0.27 -2.54 -0.20 0.00 -0.55 0.00 0.00 66.41 62.86 1qt3 h THR 54 Cb 1.09 2.67 0.07 0.00 -1.73 0.00 0.00 68.15 70.24 1qt3 h THR 54 CO 1.19 0.84 -0.33 -3.20 -0.25 0.00 0.00 175.52 173.77 1qt3 n ASN 55 N -3.49 -4.14 0.00 5.36 5.15 -1.26 -3.52 115.26 113.35 1qt3 n ASN 55 Ca -0.24 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 1qt3 n ASN 55 Cb 1.06 -2.73 0.00 0.00 -0.53 0.00 0.00 39.78 37.58 1qt3 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qt3 n GLY 56 N -1.24 0.26 3.09 8.20 0.00 -1.26 -5.01 105.19 109.23 1qt3 n GLY 56 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1qt3 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qt3 s VAL 57 N -1.60 1.19 0.26 1.61 1.01 -1.23 -2.40 120.40 119.24 1qt3 s VAL 57 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1qt3 s VAL 57 Cb 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1qt3 s VAL 57 CO 0.00 0.35 0.04 0.27 0.00 0.00 0.00 175.10 175.76 1qt3 s ILE 58 N 0.04 0.89 0.72 2.22 -4.36 -0.97 -4.79 121.20 114.95 1qt3 s ILE 58 Ca -0.02 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.34 1qt3 s ILE 58 Cb -0.10 -2.54 0.12 0.00 1.25 0.00 0.00 42.46 41.20 1qt3 s ILE 58 CO 0.01 -0.15 1.00 0.42 0.24 0.00 0.00 174.94 176.46 1qt3 s THR 59 N -3.52 2.16 0.13 8.37 -4.23 -1.26 -4.82 115.64 112.47 1qt3 s THR 59 Ca 0.33 -0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 60.13 1qt3 s THR 59 Cb 0.07 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 1qt3 s THR 59 CO 0.12 0.00 1.64 0.50 -0.54 0.00 0.00 174.62 176.34 1qt3 h LYS 60 N -0.55 0.62 -0.31 3.99 3.64 -1.99 -1.38 116.57 120.59 1qt3 h LYS 60 Ca -0.37 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1qt3 h LYS 60 Cb 1.27 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1qt3 h LYS 60 CO 0.41 0.63 0.13 -0.44 -2.27 0.00 0.00 179.45 177.91 1qt3 h ASP 61 N 0.49 0.17 -0.31 4.20 3.45 -1.98 -0.45 116.42 121.98 1qt3 h ASP 61 Ca 0.13 0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.63 1qt3 h ASP 61 Cb 0.28 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 1qt3 h ASP 61 CO -0.00 0.14 0.17 -0.33 -1.57 0.00 0.00 179.24 177.65 1qt3 h GLU 62 N 0.28 0.35 -0.81 3.56 5.08 -1.90 -0.22 114.58 120.92 1qt3 h GLU 62 Ca 0.14 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1qt3 h GLU 62 Cb 0.08 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1qt3 h GLU 62 CO -0.12 0.23 0.50 0.00 -1.00 0.00 0.00 179.01 178.62 1qt3 h ALA 63 N 1.15 1.09 -0.02 3.43 0.00 -0.84 -1.67 119.26 122.39 1qt3 h ALA 63 Ca 0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1qt3 h ALA 63 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1qt3 h ALA 63 CO -0.07 0.26 -0.57 0.93 0.00 0.00 0.00 179.25 179.79 1qt3 h GLU 64 N 0.93 0.06 -0.14 0.00 5.08 -0.71 -0.63 114.58 119.18 1qt3 h GLU 64 Ca 0.34 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1qt3 h GLU 64 Cb 0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1qt3 h GLU 64 CO -0.16 0.62 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.25 1qt3 h LYS 65 N 0.05 0.25 -0.43 2.33 3.64 -0.42 -0.61 116.57 121.38 1qt3 h LYS 65 Ca -0.00 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1qt3 h LYS 65 Cb 1.03 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1qt3 h LYS 65 CO 0.08 0.49 0.22 -0.07 -2.27 0.00 0.00 179.45 177.89 1qt3 h LEU 66 N -0.01 0.32 -0.40 5.20 3.38 -1.13 -1.54 115.31 121.12 1qt3 h LEU 66 Ca 0.04 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1qt3 h LEU 66 Cb 0.38 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1qt3 h LEU 66 CO 0.01 0.23 0.06 0.15 0.09 0.00 0.00 178.44 178.97 1qt3 h PHE 67 N 0.43 0.09 -0.72 1.13 -0.00 -0.94 0.13 116.94 117.06 1qt3 h PHE 67 Ca 0.18 0.03 0.03 0.00 -0.00 0.00 0.00 57.97 58.21 1qt3 h PHE 67 Cb 0.09 0.02 -0.04 0.00 -0.00 0.00 0.00 35.95 36.01 1qt3 h PHE 67 CO -0.10 -0.01 0.46 -0.91 -0.00 0.00 0.00 178.31 177.75 1qt3 h ASN 68 N 0.18 0.75 -0.59 0.41 2.35 -0.74 0.64 115.58 118.58 1qt3 h ASN 68 Ca 0.19 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1qt3 h ASN 68 Cb 0.24 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1qt3 h ASN 68 CO -0.27 0.52 0.16 1.56 -1.65 0.00 0.00 177.43 177.75 1qt3 h GLN 69 N 0.89 0.94 -0.41 0.81 4.20 -0.62 -1.87 115.11 119.05 1qt3 h GLN 69 Ca 0.29 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1qt3 h GLN 69 Cb 0.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1qt3 h GLN 69 CO -0.11 0.85 -0.10 -0.44 -0.67 0.00 0.00 178.83 178.36 1qt3 h ASP 70 N 0.85 0.70 -0.18 1.46 3.32 -0.15 -0.46 116.42 121.97 1qt3 h ASP 70 Ca 0.19 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1qt3 h ASP 70 Cb 0.32 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1qt3 h ASP 70 CO -0.00 0.84 -0.23 0.58 -1.72 0.00 0.00 179.24 178.70 1qt3 h VAL 71 N 0.65 1.34 -0.42 -1.35 2.07 -0.69 -1.71 116.25 116.14 1qt3 h VAL 71 Ca 0.11 -1.43 0.06 0.00 0.82 0.00 0.00 66.70 66.26 1qt3 h VAL 71 Cb 0.56 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1qt3 h VAL 71 CO 0.03 0.43 0.13 -0.78 0.02 0.00 0.00 177.57 177.41 1qt3 h ASP 72 N 0.12 0.12 -0.59 0.57 -0.00 -1.24 -0.75 116.42 114.66 1qt3 h ASP 72 Ca 0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.09 1qt3 h ASP 72 Cb 0.79 0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 40.14 1qt3 h ASP 72 CO 0.05 0.10 0.32 0.00 -0.00 0.00 0.00 179.24 179.72 1qt3 h ALA 73 N 1.28 1.42 0.26 -0.78 0.00 -1.01 -0.00 119.26 120.43 1qt3 h ALA 73 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qt3 h ALA 73 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qt3 h ALA 73 CO -0.21 0.47 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 1qt3 h ALA 74 N 1.50 -0.35 -0.32 0.00 0.00 -0.31 0.76 119.26 120.54 1qt3 h ALA 74 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1qt3 h ALA 74 Cb 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1qt3 h ALA 74 CO -0.03 -0.69 0.10 0.28 0.00 0.00 0.00 179.25 178.90 1qt3 h VAL 75 N -0.35 0.89 -0.48 0.00 2.07 -0.77 -0.04 116.25 117.56 1qt3 h VAL 75 Ca -0.04 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1qt3 h VAL 75 Cb 0.27 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1qt3 h VAL 75 CO 0.06 0.04 0.11 0.03 0.02 0.00 0.00 177.57 177.83 1qt3 h ARG 76 N 0.23 0.72 -0.47 1.57 3.08 -0.84 -0.79 114.38 117.89 1qt3 h ARG 76 Ca 0.15 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 1qt3 h ARG 76 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1qt3 h ARG 76 CO -0.17 0.66 -0.16 0.78 -1.07 0.00 0.00 179.97 180.02 1qt3 h GLY 77 N 0.91 1.02 0.93 0.04 0.00 -0.35 -1.98 103.07 103.64 1qt3 h GLY 77 Ca 0.16 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.62 1qt3 h GLY 77 CO -0.00 0.80 0.02 -2.22 0.00 0.00 0.00 176.54 175.14 1qt3 h ILE 78 N 0.79 0.98 0.00 2.60 2.04 -0.38 -2.41 117.51 121.13 1qt3 h ILE 78 Ca 0.11 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1qt3 h ILE 78 Cb 0.72 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1qt3 h ILE 78 CO 0.06 0.01 -0.07 -0.07 0.00 0.00 0.00 178.15 178.08 1qt3 h LEU 79 N 0.07 0.00 -0.36 1.44 3.38 -0.99 -1.37 115.31 117.47 1qt3 h LEU 79 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1qt3 h LEU 79 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1qt3 h LEU 79 CO -0.04 0.07 -0.49 0.54 0.09 0.00 0.00 178.44 178.61 1qt3 n ARG 80 N -3.99 0.53 -3.25 1.13 1.74 -0.76 -4.77 116.66 107.28 1qt3 n ARG 80 Ca -0.03 -0.36 -0.39 0.00 -0.77 0.00 0.00 57.85 56.31 1qt3 n ARG 80 Cb 0.15 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 1qt3 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1qt3 s ASN 81 N -2.72 6.61 0.45 0.55 3.84 -0.53 -4.95 114.94 118.18 1qt3 s ASN 81 Ca 0.17 0.73 0.12 0.00 0.21 0.00 0.00 52.86 54.09 1qt3 s ASN 81 Cb 0.18 -2.30 1.02 0.00 -0.55 0.00 0.00 41.25 39.61 1qt3 s ASN 81 CO 0.64 -0.14 2.04 0.00 -2.79 0.00 0.00 177.10 176.85 1qt3 h ALA 82 N 7.27 1.92 0.00 1.71 0.00 -1.89 -0.46 119.26 127.81 1qt3 h ALA 82 Ca -0.35 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 1qt3 h ALA 82 Cb 1.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1qt3 h ALA 82 CO 0.75 0.01 -1.17 0.87 0.00 0.00 0.00 179.25 179.71 1qt3 h LYS 83 N 0.37 0.00 0.15 0.00 1.57 -1.92 -3.39 116.57 113.35 1qt3 h LYS 83 Ca 0.18 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.60 1qt3 h LYS 83 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1qt3 h LYS 83 CO -0.04 0.58 -1.84 -0.07 -0.57 0.00 0.00 179.45 177.51 1qt3 h LEU 84 N 0.00 0.51 -0.76 2.94 3.38 -1.74 -3.39 115.31 116.26 1qt3 h LEU 84 Ca -0.12 -0.90 0.13 0.00 0.09 0.00 0.00 57.88 57.08 1qt3 h LEU 84 Cb 1.69 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 42.19 1qt3 h LEU 84 CO 0.08 1.78 0.35 0.50 0.09 0.00 0.00 178.44 181.24 1qt3 h LYS 85 N 0.09 0.52 -0.40 1.13 3.64 -1.01 -1.07 116.57 119.46 1qt3 h LYS 85 Ca -0.37 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1qt3 h LYS 85 Cb 2.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.75 1qt3 h LYS 85 CO 0.14 0.35 0.03 -1.35 -2.27 0.00 0.00 179.45 176.34 1qt3 h PRO 86 N 0.54 0.63 0.09 1.90 0.11 -1.78 0.17 132.00 133.65 1qt3 h PRO 86 Ca 0.40 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 1qt3 h PRO 86 Cb 0.54 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1qt3 h PRO 86 CO -0.35 0.63 -0.05 0.28 -0.21 0.00 0.00 178.00 178.31 1qt3 h VAL 87 N 0.60 1.08 -0.54 3.15 2.07 -1.43 -2.22 116.25 118.97 1qt3 h VAL 87 Ca 0.13 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 67.04 1qt3 h VAL 87 Cb 0.34 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1qt3 h VAL 87 CO 0.01 0.16 0.24 0.22 0.02 0.00 0.00 177.57 178.22 1qt3 h TYR 88 N -0.44 0.43 0.00 1.57 5.03 -1.03 -1.53 116.97 121.01 1qt3 h TYR 88 Ca -0.01 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 1qt3 h TYR 88 Cb 0.36 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1qt3 h TYR 88 CO 0.03 0.17 -0.24 -0.44 -1.32 0.00 0.00 178.16 176.36 1qt3 h ASP 89 N 0.46 0.00 1.40 -2.11 3.45 -0.63 -2.78 116.42 116.21 1qt3 h ASP 89 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1qt3 h ASP 89 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1qt3 h ASP 89 CO -0.21 0.24 0.00 0.77 -1.57 0.00 0.00 179.24 178.47 1qt3 h SER 90 N 0.00 0.00 -3.41 6.45 4.64 -0.64 -3.47 113.55 117.13 1qt3 h SER 90 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1qt3 h SER 90 Cb 0.56 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1qt3 h SER 90 CO 0.03 0.00 0.03 -0.76 -0.87 0.00 0.00 176.83 175.26 1qt3 s LEU 91 N -4.64 3.78 0.88 5.97 1.43 -1.05 -5.07 118.68 119.98 1qt3 s LEU 91 Ca 0.09 0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 1qt3 s LEU 91 Cb 0.11 -3.76 0.13 0.00 0.03 0.00 0.00 46.19 42.70 1qt3 s LEU 91 CO 0.57 -0.46 1.19 1.51 0.23 0.00 0.00 176.35 179.39 1qt3 s ASP 92 N -3.85 3.83 0.23 2.29 1.47 -1.26 -4.80 116.67 114.58 1qt3 s ASP 92 Ca 0.46 0.75 -0.08 0.00 1.18 0.00 0.00 52.55 54.86 1qt3 s ASP 92 Cb -0.10 -1.18 0.22 0.00 -0.34 0.00 0.00 42.92 41.52 1qt3 s ASP 92 CO 0.40 -2.33 1.91 0.00 0.68 0.00 0.00 175.17 175.82 1qt3 h ALA 93 N -1.35 1.13 0.15 2.11 0.00 -1.97 -0.97 119.26 118.35 1qt3 h ALA 93 Ca -0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1qt3 h ALA 93 Cb 1.31 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1qt3 h ALA 93 CO 0.59 0.52 -0.07 0.28 0.00 0.00 0.00 179.25 180.57 1qt3 h VAL 94 N 1.20 0.99 0.00 0.00 2.07 -1.94 -2.68 116.25 115.89 1qt3 h VAL 94 Ca 0.33 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1qt3 h VAL 94 Cb -0.13 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1qt3 h VAL 94 CO -0.07 0.16 -0.06 0.03 0.02 0.00 0.00 177.57 177.65 1qt3 h ARG 95 N -0.53 0.00 -0.70 1.57 3.08 -1.81 -0.32 114.38 115.66 1qt3 h ARG 95 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1qt3 h ARG 95 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1qt3 h ARG 95 CO 0.03 0.06 0.25 0.00 -1.07 0.00 0.00 179.97 179.24 1qt3 h ARG 96 N 0.00 1.06 -0.50 0.04 3.08 -1.01 -1.44 114.38 115.60 1qt3 h ARG 96 Ca -0.00 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1qt3 h ARG 96 Cb 0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1qt3 h ARG 96 CO 0.01 0.89 0.19 0.00 -1.07 0.00 0.00 179.97 179.98 1qt3 h ALA 97 N 1.24 1.39 -0.32 0.04 0.00 -0.73 -0.99 119.26 119.87 1qt3 h ALA 97 Ca 0.23 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1qt3 h ALA 97 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1qt3 h ALA 97 CO -0.01 0.46 -0.19 0.00 0.00 0.00 0.00 179.25 179.51 1qt3 h ALA 98 N 1.49 1.08 -0.39 0.00 0.00 -0.68 -2.11 119.26 118.65 1qt3 h ALA 98 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1qt3 h ALA 98 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1qt3 h ALA 98 CO -0.01 0.56 -0.29 1.25 0.00 0.00 0.00 179.25 180.76 1qt3 h LEU 99 N 0.53 0.88 -0.76 0.00 5.85 -0.92 -2.63 115.31 118.25 1qt3 h LEU 99 Ca 0.08 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1qt3 h LEU 99 Cb 0.62 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1qt3 h LEU 99 CO 0.04 1.11 0.30 0.40 -0.34 0.00 0.00 178.44 179.95 1qt3 h ILE 100 N 0.72 1.26 -0.37 4.05 2.04 -0.96 -1.41 117.51 122.84 1qt3 h ILE 100 Ca 0.08 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.17 1qt3 h ILE 100 Cb 0.84 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1qt3 h ILE 100 CO 0.07 0.33 0.15 -1.13 0.00 0.00 0.00 178.15 177.57 1qt3 h ASN 101 N 1.10 0.20 -0.28 1.72 -0.73 -1.24 0.15 115.58 116.50 1qt3 h ASN 101 Ca 0.25 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.37 1qt3 h ASN 101 Cb 0.21 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 1qt3 h ASN 101 CO -0.02 0.15 -0.10 0.24 -0.37 0.00 0.00 177.43 177.34 1qt3 h MET 102 N 0.33 0.69 -0.57 6.67 2.86 -1.20 -1.52 114.93 122.19 1qt3 h MET 102 Ca 0.16 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1qt3 h MET 102 Cb 0.11 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1qt3 h MET 102 CO -0.14 0.77 -0.03 0.28 1.06 0.00 0.00 176.91 178.85 1qt3 h VAL 103 N 0.63 1.26 -0.38 -2.22 2.07 -0.09 0.61 116.25 118.12 1qt3 h VAL 103 Ca 0.11 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 1qt3 h VAL 103 Cb 0.53 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1qt3 h VAL 103 CO 0.03 0.42 -0.12 0.15 0.02 0.00 0.00 177.57 178.06 1qt3 h PHE 104 N 0.92 0.75 0.04 1.57 3.04 -0.49 0.31 116.94 123.07 1qt3 h PHE 104 Ca 0.16 -0.13 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1qt3 h PHE 104 Cb 0.57 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1qt3 h PHE 104 CO 0.04 0.77 -0.02 0.37 -2.02 0.00 0.00 178.31 177.45 1qt3 h GLN 105 N 0.62 -0.05 -0.01 1.11 4.15 -0.94 -3.39 115.11 116.60 1qt3 h GLN 105 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1qt3 h GLN 105 Cb 0.57 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1qt3 h GLN 105 CO 0.04 0.51 -0.22 0.00 -1.93 0.00 0.00 178.83 177.22 1qt3 n MET 106 N -4.83 2.18 0.00 1.69 0.00 0.18 -5.10 117.12 111.23 1qt3 n MET 106 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 57.70 57.04 1qt3 n MET 106 Cb 0.29 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.44 1qt3 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qt3 n GLY 107 N 0.91 -0.45 0.37 3.17 0.00 0.11 -3.98 105.19 105.32 1qt3 n GLY 107 Ca 0.04 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 44.58 1qt3 n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qt3 h GLU 108 N 0.00 1.21 -0.41 1.61 4.81 -1.92 -1.06 114.58 118.82 1qt3 h GLU 108 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1qt3 h GLU 108 Cb 0.00 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1qt3 h GLU 108 CO 0.00 0.80 0.15 1.15 -0.73 0.00 0.00 179.01 180.38 1qt3 h THR 109 N 1.24 1.20 -0.16 0.32 2.02 -1.96 -0.17 112.91 115.41 1qt3 h THR 109 Ca 0.39 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1qt3 h THR 109 Cb 0.01 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1qt3 h THR 109 CO -0.12 0.23 0.09 1.23 0.37 0.00 0.00 175.52 177.32 1qt3 h GLY 110 N 0.52 0.24 0.98 2.16 0.00 -1.50 -2.78 103.07 102.69 1qt3 h GLY 110 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1qt3 h GLY 110 CO -0.01 0.10 0.17 -2.08 0.00 0.00 0.00 176.54 174.73 1qt3 h VAL 111 N 0.17 1.23 0.00 4.60 2.07 -1.04 -1.87 116.25 121.41 1qt3 h VAL 111 Ca 0.06 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1qt3 h VAL 111 Cb 0.06 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1qt3 h VAL 111 CO -0.01 0.28 0.09 0.00 0.02 0.00 0.00 177.57 177.96 1qt3 h ALA 112 N 1.03 1.08 0.00 1.67 0.00 -0.85 0.16 119.26 122.35 1qt3 h ALA 112 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qt3 h ALA 112 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qt3 h ALA 112 CO -0.01 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.57 1qt3 n GLY 113 N -1.20 -1.35 2.37 0.00 0.00 -0.70 -3.99 105.19 100.32 1qt3 n GLY 113 Ca -0.02 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1qt3 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qt3 n PHE 114 N -1.44 1.40 -0.29 1.61 0.99 0.04 -4.77 117.46 115.00 1qt3 n PHE 114 Ca 0.08 -2.00 -0.03 0.00 -0.00 0.00 0.00 57.45 55.50 1qt3 n PHE 114 Cb 0.28 -1.53 0.02 0.00 -1.00 0.00 0.00 39.48 37.26 1qt3 n PHE 114 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1qt3 h THR 115 N 2.11 0.09 -0.68 4.37 2.02 -1.82 -0.81 112.91 118.19 1qt3 h THR 115 Ca 0.41 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.52 1qt3 h THR 115 Cb 0.83 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1qt3 h THR 115 CO 0.84 0.00 0.16 0.78 0.37 0.00 0.00 175.52 177.67 1qt3 h ASN 116 N -0.08 1.04 -0.42 4.18 2.35 -1.96 -2.39 115.58 118.30 1qt3 h ASN 116 Ca 0.29 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1qt3 h ASN 116 Cb 0.57 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1qt3 h ASN 116 CO -0.83 1.00 -0.26 0.28 -1.65 0.00 0.00 177.43 175.97 1qt3 h SER 117 N 1.04 0.96 -0.54 5.81 0.02 -1.74 -2.48 113.55 116.62 1qt3 h SER 117 Ca 0.21 -0.42 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1qt3 h SER 117 Cb 0.38 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1qt3 h SER 117 CO 0.00 1.17 0.33 -0.07 -1.14 0.00 0.00 176.83 177.13 1qt3 h LEU 118 N 0.75 0.54 -0.74 5.07 3.38 -1.11 0.55 115.31 123.74 1qt3 h LEU 118 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1qt3 h LEU 118 Cb 0.84 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1qt3 h LEU 118 CO 0.07 0.38 0.35 -0.09 0.09 0.00 0.00 178.44 179.24 1qt3 h ARG 119 N 0.66 1.07 -0.41 1.13 2.43 -1.34 0.29 114.38 118.20 1qt3 h ARG 119 Ca 0.22 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1qt3 h ARG 119 Cb 0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1qt3 h ARG 119 CO -0.09 0.84 -0.22 0.52 -1.51 0.00 0.00 179.97 179.51 1qt3 h MET 120 N 1.04 0.83 -0.41 0.20 2.86 -1.04 0.21 114.93 118.62 1qt3 h MET 120 Ca 0.25 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1qt3 h MET 120 Cb 0.13 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1qt3 h MET 120 CO -0.03 0.97 0.04 -0.07 1.06 0.00 0.00 176.91 178.88 1qt3 h LEU 121 N 0.72 0.67 -1.71 1.22 3.38 -0.46 -0.85 115.31 118.29 1qt3 h LEU 121 Ca 0.10 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1qt3 h LEU 121 Cb 0.75 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1qt3 h LEU 121 CO 0.06 0.78 0.27 -0.61 0.09 0.00 0.00 178.44 179.03 1qt3 h GLN 122 N 0.53 0.37 -0.00 1.13 4.15 -0.49 0.38 115.11 121.17 1qt3 h GLN 122 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1qt3 h GLN 122 Cb 0.41 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1qt3 h GLN 122 CO 0.01 0.24 -0.09 1.04 -1.93 0.00 0.00 178.83 178.11 1qt3 n GLN 123 N -4.48 0.83 -1.93 1.69 6.02 0.02 -4.92 117.38 114.61 1qt3 n GLN 123 Ca 0.04 -0.29 -0.11 0.00 -0.01 0.00 0.00 57.00 56.63 1qt3 n GLN 123 Cb 0.19 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 1qt3 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1qt3 n LYS 124 N -0.83 -0.88 -2.91 -1.09 5.02 0.12 -4.95 118.16 112.65 1qt3 n LYS 124 Ca 0.16 0.67 -0.44 0.00 -2.02 0.00 0.00 58.31 56.68 1qt3 n LYS 124 Cb 0.27 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.52 1qt3 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qt3 n ARG 125 N -2.28 3.78 -0.09 1.97 1.74 -0.50 -4.89 116.66 116.38 1qt3 n ARG 125 Ca -0.13 -4.11 -0.07 0.00 -0.77 0.00 0.00 57.85 52.77 1qt3 n ARG 125 Cb 0.53 -2.75 -0.01 0.00 -1.02 0.00 0.00 32.46 29.21 1qt3 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1qt3 h TRP 126 N 6.21 -0.68 -0.71 -1.55 -0.00 -1.89 -0.42 115.95 116.90 1qt3 h TRP 126 Ca 0.27 0.05 -0.06 0.00 -0.00 0.00 0.00 58.89 59.15 1qt3 h TRP 126 Cb 0.74 0.35 -0.03 0.00 -0.00 0.00 0.00 29.16 30.22 1qt3 h TRP 126 CO 1.03 -0.33 0.22 -0.44 -0.00 0.00 0.00 178.44 178.92 1qt3 h ASP 127 N -0.22 1.02 -0.35 -3.49 5.19 -1.90 -1.60 116.42 115.08 1qt3 h ASP 127 Ca 0.17 -0.19 -0.09 0.00 -0.62 0.00 0.00 57.03 56.30 1qt3 h ASP 127 Cb 0.48 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1qt3 h ASP 127 CO -0.46 0.95 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.16 1qt3 h GLU 128 N 1.06 0.71 -0.82 3.56 5.08 -1.89 -1.69 114.58 120.59 1qt3 h GLU 128 Ca 0.23 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1qt3 h GLU 128 Cb 0.29 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1qt3 h GLU 128 CO -0.01 0.88 0.52 0.00 -1.00 0.00 0.00 179.01 179.41 1qt3 h ALA 129 N 0.80 1.07 -0.52 3.43 0.00 -0.90 -0.71 119.26 122.43 1qt3 h ALA 129 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1qt3 h ALA 129 Cb 0.64 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1qt3 h ALA 129 CO 0.04 0.35 0.34 0.00 0.00 0.00 0.00 179.25 179.98 1qt3 h ALA 130 N 1.34 0.66 -0.20 0.00 0.00 -1.06 0.89 119.26 120.90 1qt3 h ALA 130 Ca 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1qt3 h ALA 130 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1qt3 h ALA 130 CO -0.11 0.09 0.05 0.28 0.00 0.00 0.00 179.25 179.56 1qt3 h VAL 131 N 0.70 1.20 -0.54 0.00 2.07 -1.00 -2.59 116.25 116.09 1qt3 h VAL 131 Ca 0.19 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1qt3 h VAL 131 Cb -0.07 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1qt3 h VAL 131 CO -0.05 0.20 0.35 -1.13 0.02 0.00 0.00 177.57 176.97 1qt3 h ASN 132 N 0.13 0.61 -0.43 0.57 -0.73 -0.41 -2.55 115.58 112.76 1qt3 h ASN 132 Ca 0.06 -0.01 0.08 0.00 1.87 0.00 0.00 56.30 58.29 1qt3 h ASN 132 Cb 0.27 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 1qt3 h ASN 132 CO 0.00 0.44 0.30 -0.07 -0.37 0.00 0.00 177.43 177.73 1qt3 h LEU 133 N 0.72 0.22 -1.66 0.34 3.38 0.93 -1.84 115.31 117.40 1qt3 h LEU 133 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1qt3 h LEU 133 Cb -0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1qt3 h LEU 133 CO -0.05 0.14 -0.07 0.00 0.09 0.00 0.00 178.44 178.55 1qt3 h ALA 134 N 1.77 1.05 -0.91 1.53 0.00 -1.06 -3.35 119.26 118.30 1qt3 h ALA 134 Ca 0.20 -0.06 -0.74 0.00 0.00 0.00 0.00 54.91 54.30 1qt3 h ALA 134 Cb 0.46 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.10 1qt3 h ALA 134 CO -0.04 0.09 2.07 1.63 0.00 0.00 0.00 179.25 183.00 1qt3 n LYS 135 N -3.25 3.47 -3.56 0.00 5.02 -0.69 -4.68 118.16 114.46 1qt3 n LYS 135 Ca -0.00 -3.45 -0.13 0.00 -2.02 0.00 0.00 58.31 52.70 1qt3 n LYS 135 Cb 0.29 -3.01 -0.05 0.00 -0.02 0.00 0.00 35.03 32.24 1qt3 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qt3 s SER 136 N 1.61 -0.44 0.22 4.39 1.04 -1.26 -5.00 113.70 114.26 1qt3 s SER 136 Ca 0.42 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.87 1qt3 s SER 136 Cb 0.08 0.51 0.27 0.00 0.10 0.00 0.00 66.02 66.97 1qt3 s SER 136 CO -0.01 -0.77 1.84 -0.09 0.98 0.00 0.00 173.24 175.19 1qt3 h ARG 137 N 2.62 0.83 -0.62 4.02 2.43 -1.92 -1.90 114.38 119.83 1qt3 h ARG 137 Ca -0.32 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 58.92 1qt3 h ARG 137 Cb 1.23 -0.19 -0.12 0.00 -0.42 0.00 0.00 29.97 30.48 1qt3 h ARG 137 CO 0.41 0.55 -0.30 2.35 -1.51 0.00 0.00 179.97 181.47 1qt3 h TRP 138 N 0.85 -0.82 -0.51 2.20 7.01 -1.94 0.26 115.95 122.99 1qt3 h TRP 138 Ca 0.33 0.07 -0.07 0.00 2.11 0.00 0.00 58.89 61.33 1qt3 h TRP 138 Cb 0.14 0.45 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 1qt3 h TRP 138 CO -0.05 -0.37 0.06 -0.92 -2.79 0.00 0.00 178.44 174.37 1qt3 h TYR 139 N -0.13 0.93 -0.20 2.65 3.20 -1.74 -1.54 116.97 120.15 1qt3 h TYR 139 Ca 0.26 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 1qt3 h TYR 139 Cb 0.55 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1qt3 h TYR 139 CO -0.63 0.85 -0.28 -0.91 -1.64 0.00 0.00 178.16 175.56 1qt3 h ASN 140 N 0.74 0.38 0.14 -2.11 4.21 -0.48 -2.04 115.58 116.42 1qt3 h ASN 140 Ca 0.15 -0.13 -0.23 0.00 1.21 0.00 0.00 56.30 57.31 1qt3 h ASN 140 Cb 0.44 -0.10 0.02 0.00 -1.12 0.00 0.00 38.32 37.56 1qt3 h ASN 140 CO 0.01 0.66 -0.97 1.56 -1.29 0.00 0.00 177.43 177.40 1qt3 h GLN 141 N 0.34 0.42 -2.08 0.81 1.08 -0.37 -3.40 115.11 111.90 1qt3 h GLN 141 Ca 0.05 -0.63 -0.57 0.00 -1.45 0.00 0.00 58.65 56.04 1qt3 h GLN 141 Cb 0.66 0.22 -0.40 0.00 -0.05 0.00 0.00 27.48 27.92 1qt3 h GLN 141 CO 0.05 1.28 -0.92 0.25 -0.95 0.00 0.00 178.83 178.54 1qt3 n THR 142 N -4.01 0.38 -0.32 -0.54 -2.24 -0.59 -4.98 114.28 101.98 1qt3 n THR 142 Ca -0.14 -4.43 -0.05 0.00 -2.27 0.00 0.00 64.05 57.16 1qt3 n THR 142 Cb 0.88 -2.01 0.08 0.00 -2.10 0.00 0.00 70.33 67.18 1qt3 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1qt3 h PRO 143 N 4.10 1.23 -0.24 -0.78 0.13 -1.56 0.12 132.00 134.99 1qt3 h PRO 143 Ca 0.12 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1qt3 h PRO 143 Cb 0.80 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1qt3 h PRO 143 CO 0.59 0.93 0.05 -0.91 -0.23 0.00 0.00 178.00 178.44 1qt3 h ASN 144 N 1.21 0.38 0.01 1.44 2.35 -1.93 0.23 115.58 119.27 1qt3 h ASN 144 Ca 0.29 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1qt3 h ASN 144 Cb 0.11 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1qt3 h ASN 144 CO -0.04 0.52 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.17 1qt3 h ARG 145 N 0.22 -0.02 -0.63 0.81 2.43 -1.95 -2.51 114.38 112.73 1qt3 h ARG 145 Ca 0.08 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1qt3 h ARG 145 Cb 0.29 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 1qt3 h ARG 145 CO 0.00 0.24 0.22 0.00 -1.51 0.00 0.00 179.97 178.91 1qt3 h ALA 146 N 0.71 0.81 -0.85 2.80 0.00 -0.62 -1.21 119.26 120.90 1qt3 h ALA 146 Ca -0.00 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1qt3 h ALA 146 Cb 0.26 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1qt3 h ALA 146 CO 0.00 -0.22 0.48 0.87 0.00 0.00 0.00 179.25 180.38 1qt3 h LYS 147 N 0.38 0.74 -0.17 0.00 1.57 -0.39 -0.35 116.57 118.35 1qt3 h LYS 147 Ca 0.32 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1qt3 h LYS 147 Cb 0.43 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1qt3 h LYS 147 CO -0.34 0.49 0.10 0.00 -0.57 0.00 0.00 179.45 179.13 1qt3 h ARG 148 N 0.76 0.24 -0.45 3.15 3.08 -0.79 -0.13 114.38 120.25 1qt3 h ARG 148 Ca 0.43 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.39 1qt3 h ARG 148 Cb 0.46 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1qt3 h ARG 148 CO -0.28 0.23 0.07 0.28 -1.07 0.00 0.00 179.97 179.19 1qt3 h VAL 149 N 0.19 1.25 -0.67 2.04 2.07 -1.06 -1.75 116.25 118.31 1qt3 h VAL 149 Ca 0.06 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1qt3 h VAL 149 Cb 0.06 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1qt3 h VAL 149 CO -0.01 0.32 0.38 0.40 0.02 0.00 0.00 177.57 178.68 1qt3 h ILE 150 N 0.61 1.20 -0.33 4.57 2.04 -1.01 -0.15 117.51 124.44 1qt3 h ILE 150 Ca 0.14 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1qt3 h ILE 150 Cb 0.39 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1qt3 h ILE 150 CO 0.01 0.22 0.02 0.74 0.00 0.00 0.00 178.15 179.14 1qt3 h THR 151 N 0.91 1.18 -0.42 -0.27 2.02 -0.87 0.34 112.91 115.81 1qt3 h THR 151 Ca 0.24 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1qt3 h THR 151 Cb 0.01 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1qt3 h THR 151 CO -0.04 0.25 0.12 0.74 0.37 0.00 0.00 175.52 176.96 1qt3 h THR 152 N 0.49 1.22 -0.14 3.16 2.02 -0.58 0.12 112.91 119.20 1qt3 h THR 152 Ca 0.11 -0.76 -0.15 0.00 0.77 0.00 0.00 66.41 66.38 1qt3 h THR 152 Cb 0.29 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1qt3 h THR 152 CO 0.01 0.27 -0.56 -0.26 0.37 0.00 0.00 175.52 175.34 1qt3 h PHE 153 N 0.54 0.55 -0.45 3.16 0.05 -0.26 0.18 116.94 120.72 1qt3 h PHE 153 Ca 0.14 -0.20 -0.14 0.00 3.82 0.00 0.00 57.97 61.59 1qt3 h PHE 153 Cb 0.29 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 1qt3 h PHE 153 CO 0.01 0.90 -0.27 -0.09 -0.18 0.00 0.00 178.31 178.68 1qt3 h ARG 154 N 0.33 0.97 0.00 1.51 2.43 -0.05 -3.36 114.38 116.21 1qt3 h ARG 154 Ca 0.00 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.63 1qt3 h ARG 154 Cb 1.09 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1qt3 h ARG 154 CO 0.10 1.12 -2.04 0.25 -1.51 0.00 0.00 179.97 177.88 1qt3 n THR 155 N -4.11 0.41 -1.04 0.20 -2.24 0.40 -4.79 114.28 103.12 1qt3 n THR 155 Ca -0.01 -0.60 -0.01 0.00 -2.27 0.00 0.00 64.05 61.16 1qt3 n THR 155 Cb 0.49 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1qt3 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qt3 n GLY 156 N 1.39 0.47 3.52 3.38 0.00 0.63 -5.00 105.19 109.58 1qt3 n GLY 156 Ca -0.11 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1qt3 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qt3 s THR 157 N -1.83 1.30 -0.63 2.61 -4.23 -1.26 -4.79 115.64 106.82 1qt3 s THR 157 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1qt3 s THR 157 Cb 0.00 -2.74 0.61 0.00 1.34 0.00 0.00 72.50 71.71 1qt3 s THR 157 CO 0.00 0.00 1.45 0.79 -0.54 0.00 0.00 174.62 176.32 1qt3 n TRP 158 N -0.82 1.49 -0.34 3.99 7.02 -1.26 -4.60 117.44 122.92 1qt3 n TRP 158 Ca -0.04 -0.53 0.17 0.00 -1.02 0.00 0.00 57.50 56.07 1qt3 n TRP 158 Cb 0.67 -0.36 0.37 0.00 -2.42 0.00 0.00 31.31 29.56 1qt3 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1qt3 h ASP 159 N 3.08 0.61 0.47 -0.99 3.45 -1.95 0.05 116.42 121.15 1qt3 h ASP 159 Ca 0.00 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1qt3 h ASP 159 Cb 1.52 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 1qt3 h ASP 159 CO 0.33 0.08 0.00 0.00 -1.57 0.00 0.00 179.24 178.08 1qt3 h ALA 160 N 1.73 1.00 0.00 3.45 0.00 -1.88 -2.89 119.26 120.67 1qt3 h ALA 160 Ca 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.51 1qt3 h ALA 160 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1qt3 h ALA 160 CO -0.49 0.00 -1.66 0.66 0.00 0.00 0.00 179.25 177.76 1qt3 n TYR 161 N -2.40 0.00 -2.24 0.00 4.01 -0.04 -4.93 117.16 111.56 1qt3 n TYR 161 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1qt3 n TYR 161 Cb 0.16 -0.36 -0.03 0.00 -0.31 0.00 0.00 39.34 38.80 1qt3 n TYR 161 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1qt3 s LYS 162 N -2.86 4.30 0.00 -0.72 1.02 -0.94 -2.90 119.74 117.64 1qt3 s LYS 162 Ca -0.05 1.96 0.00 0.00 0.02 0.00 0.00 55.97 57.89 1qt3 s LYS 162 Cb 0.08 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1qt3 s LYS 162 CO 0.56 -0.53 0.00 0.09 -0.92 0.00 0.00 175.35 174.56 1qt3 n ASN 163 N 5.05 0.00 -0.01 2.83 3.02 -1.26 -4.97 115.26 119.92 1qt3 n ASN 163 Ca 0.12 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.83 1qt3 n ASN 163 Cb 0.44 0.00 0.94 0.00 -0.61 0.00 0.00 39.78 40.55 1qt3 n ASN 163 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82