#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q80 h ASP 2 N 0.00 0.17 0.35 6.43 5.19 -1.98 -1.50 116.42 125.07 1q80 h ASP 2 Ca 0.00 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1q80 h ASP 2 Cb 0.00 0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1q80 h ASP 2 CO 0.00 0.07 -0.17 -0.07 -3.12 0.00 0.00 179.24 175.95 1q80 h LEU 3 N 0.37 -0.40 -0.33 1.55 3.38 -1.98 -1.29 115.31 116.62 1q80 h LEU 3 Ca 0.37 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1q80 h LEU 3 Cb 0.55 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1q80 h LEU 3 CO -0.40 -0.04 0.16 -0.25 0.09 0.00 0.00 178.44 178.00 1q80 h TRP 4 N -0.80 0.30 -0.70 1.13 7.01 -1.85 -1.60 115.95 119.44 1q80 h TRP 4 Ca -0.05 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.94 1q80 h TRP 4 Cb 0.52 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 1q80 h TRP 4 CO 0.02 0.16 0.34 -0.24 -2.79 0.00 0.00 178.44 175.92 1q80 h VAL 5 N 0.34 1.23 -0.62 2.65 3.04 -1.35 -2.16 116.25 119.37 1q80 h VAL 5 Ca 0.14 -0.65 -0.04 0.00 -1.01 0.00 0.00 66.70 65.14 1q80 h VAL 5 Cb 0.05 0.37 -0.03 0.00 -2.01 0.00 0.00 31.29 29.68 1q80 h VAL 5 CO -0.10 0.27 0.24 1.56 -1.01 0.00 0.00 177.57 178.53 1q80 h GLN 6 N 0.97 0.94 0.33 4.17 1.08 -1.05 0.14 115.11 121.69 1q80 h GLN 6 Ca 0.24 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1q80 h GLN 6 Cb 0.12 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1q80 h GLN 6 CO -0.03 0.80 -0.16 0.87 -0.95 0.00 0.00 178.83 179.37 1q80 h LYS 7 N 0.88 -0.42 -0.97 1.46 1.57 -1.22 -1.26 116.57 116.61 1q80 h LYS 7 Ca 0.21 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 1q80 h LYS 7 Cb 0.22 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1q80 h LYS 7 CO -0.01 -0.22 0.63 0.52 -0.57 0.00 0.00 179.45 179.79 1q80 h MET 8 N -0.54 1.14 -0.53 3.15 2.86 -1.39 -2.05 114.93 117.57 1q80 h MET 8 Ca -0.04 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1q80 h MET 8 Cb 0.40 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1q80 h MET 8 CO 0.07 0.75 0.26 0.87 1.06 0.00 0.00 176.91 179.93 1q80 h LYS 9 N 1.17 0.75 0.11 1.72 1.79 -0.62 0.16 116.57 121.66 1q80 h LYS 9 Ca 0.41 -0.11 0.02 0.00 -2.18 0.00 0.00 60.65 58.79 1q80 h LYS 9 Cb 0.10 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 1q80 h LYS 9 CO -0.15 0.62 -0.30 1.15 -1.08 0.00 0.00 179.45 179.69 1q80 h THR 10 N 0.71 0.36 -0.74 -0.16 2.02 -0.81 -1.88 112.91 112.40 1q80 h THR 10 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1q80 h THR 10 Cb 0.11 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1q80 h THR 10 CO -0.02 0.00 0.40 0.22 0.37 0.00 0.00 175.52 176.48 1q80 h TYR 11 N -0.51 1.02 0.74 3.16 3.20 -1.31 -1.60 116.97 121.67 1q80 h TYR 11 Ca 0.03 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1q80 h TYR 11 Cb 0.54 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1q80 h TYR 11 CO -0.27 0.72 -0.50 0.35 -1.64 0.00 0.00 178.16 176.82 1q80 h PHE 12 N 1.02 -1.35 -0.28 -3.82 3.04 -0.52 0.47 116.94 115.51 1q80 h PHE 12 Ca 0.26 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.14 1q80 h PHE 12 Cb 0.05 0.49 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 1q80 h PHE 12 CO 0.00 -0.73 -0.08 -0.91 -2.02 0.00 0.00 178.31 174.58 1q80 h ASN 13 N -1.18 0.42 0.45 0.41 4.21 -1.38 -1.86 115.58 116.66 1q80 h ASN 13 Ca -0.10 -0.09 -0.31 0.00 1.21 0.00 0.00 56.30 57.01 1q80 h ASN 13 Cb 0.96 -0.11 0.02 0.00 -1.12 0.00 0.00 38.32 38.07 1q80 h ASN 13 CO 0.07 0.55 -1.36 0.03 -1.29 0.00 0.00 177.43 175.42 1q80 h ARG 14 N 0.42 0.41 0.00 0.81 2.47 -1.26 -3.30 114.38 113.93 1q80 h ARG 14 Ca 0.09 -0.69 -0.07 0.00 -1.26 0.00 0.00 59.98 58.04 1q80 h ARG 14 Cb 0.40 0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1q80 h ARG 14 CO 0.02 1.33 -0.32 0.97 0.56 0.00 0.00 179.97 182.53 1q80 h ILE 15 N 0.11 1.17 -0.14 2.04 6.09 -0.91 -3.36 117.51 122.50 1q80 h ILE 15 Ca -0.20 -1.14 -0.52 0.00 -1.37 0.00 0.00 64.86 61.64 1q80 h ILE 15 Cb 2.07 1.62 0.03 0.00 0.47 0.00 0.00 36.82 41.02 1q80 h ILE 15 CO 0.24 0.32 1.73 -0.67 -3.07 0.00 0.00 178.15 176.70 1q80 n ASP 16 N -4.06 2.46 -0.31 2.19 2.03 -0.70 -4.74 116.55 113.41 1q80 n ASP 16 Ca -0.02 -2.66 -0.03 0.00 0.52 0.00 0.00 54.79 52.60 1q80 n ASP 16 Cb 0.37 -1.25 0.08 0.00 -0.72 0.00 0.00 41.12 39.60 1q80 n ASP 16 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1q80 h PHE 17 N 8.84 1.05 0.00 -0.67 3.57 -1.83 -2.57 116.94 125.32 1q80 h PHE 17 Ca 0.33 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1q80 h PHE 17 Cb 0.77 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1q80 h PHE 17 CO 1.19 0.65 0.00 -0.40 -2.23 0.00 0.00 178.31 177.52 1q80 n ASP 18 N -4.51 0.00 -2.93 0.41 5.68 -1.26 -4.97 116.55 108.97 1q80 n ASP 18 Ca 0.09 -0.79 -0.18 0.00 -0.50 0.00 0.00 54.79 53.41 1q80 n ASP 18 Cb 0.03 -0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1q80 n ASP 18 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1q80 n LYS 19 N -1.00 -2.98 0.14 0.11 -0.00 -0.97 -4.93 118.16 108.53 1q80 n LYS 19 Ca 0.19 0.53 0.04 0.00 -0.00 0.00 0.00 58.31 59.07 1q80 n LYS 19 Cb 0.09 -5.19 0.03 0.00 -0.00 0.00 0.00 35.03 29.96 1q80 n LYS 19 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1q80 h ASP 20 N -0.55 0.00 0.00 -5.58 1.82 -1.93 -3.48 116.42 106.69 1q80 h ASP 20 Ca -0.36 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1q80 h ASP 20 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1q80 h ASP 20 CO 0.43 0.41 0.00 0.61 -1.61 0.00 0.00 179.24 179.08 1q80 n GLY 21 N 1.23 0.97 2.80 -0.78 0.00 -1.26 -5.11 105.19 103.03 1q80 n GLY 21 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1q80 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q80 s ALA 22 N -2.00 0.37 -0.34 4.61 0.00 -1.26 -4.41 121.76 118.73 1q80 s ALA 22 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 1q80 s ALA 22 Cb 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1q80 s ALA 22 CO 0.00 -0.16 1.22 0.42 0.00 0.00 0.00 175.76 177.24 1q80 s ILE 23 N 1.25 4.23 0.26 0.00 -1.09 -0.58 -4.57 121.20 120.70 1q80 s ILE 23 Ca -0.07 1.38 0.04 0.00 -2.23 0.00 0.00 60.65 59.77 1q80 s ILE 23 Cb -0.13 -4.29 -0.06 0.00 -1.58 0.00 0.00 42.46 36.40 1q80 s ILE 23 CO -0.02 -0.57 0.01 0.42 -1.23 0.00 0.00 174.94 173.54 1q80 s THR 24 N 4.26 1.15 0.45 2.92 -4.23 -1.26 -0.40 115.64 118.53 1q80 s THR 24 Ca 0.52 -2.04 0.15 0.00 -1.18 0.00 0.00 61.69 59.15 1q80 s THR 24 Cb -0.14 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.55 1q80 s THR 24 CO 0.23 -0.23 2.00 -0.09 -0.54 0.00 0.00 174.62 175.99 1q80 h ARG 25 N 2.35 0.32 0.00 3.99 2.43 -1.91 -2.69 114.38 118.87 1q80 h ARG 25 Ca -0.39 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1q80 h ARG 25 Cb 1.23 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1q80 h ARG 25 CO 0.66 0.21 -0.11 0.00 -1.51 0.00 0.00 179.97 179.22 1q80 h MET 26 N 0.33 0.00 -0.25 0.20 -0.00 -1.97 -1.46 114.93 111.78 1q80 h MET 26 Ca 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.89 1q80 h MET 26 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.12 1q80 h MET 26 CO -0.06 0.11 -0.06 0.38 -0.00 0.00 0.00 176.91 177.28 1q80 h ASP 27 N 0.00 0.48 -0.01 -0.10 3.04 -1.83 -0.87 116.42 117.13 1q80 h ASP 27 Ca -0.00 -0.36 -0.00 0.00 -3.24 0.00 0.00 57.03 53.42 1q80 h ASP 27 Cb 0.20 -0.13 -0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1q80 h ASP 27 CO 0.01 0.73 0.00 -0.26 -2.04 0.00 0.00 179.24 177.69 1q80 h PHE 28 N 0.22 0.01 -0.65 4.15 0.04 -1.63 -0.49 116.94 118.59 1q80 h PHE 28 Ca 0.06 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.86 1q80 h PHE 28 Cb 0.52 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 1q80 h PHE 28 CO 0.05 0.23 0.40 0.93 -0.60 0.00 0.00 178.31 179.32 1q80 h GLU 29 N -0.21 0.75 0.08 1.51 4.39 -1.34 -1.63 114.58 118.14 1q80 h GLU 29 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1q80 h GLU 29 Cb 0.22 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1q80 h GLU 29 CO 0.00 0.50 -0.04 0.77 -1.16 0.00 0.00 179.01 179.08 1q80 h SER 30 N 0.78 -0.09 -0.73 1.42 0.02 -1.10 -2.40 113.55 111.45 1q80 h SER 30 Ca 0.27 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1q80 h SER 30 Cb 0.04 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1q80 h SER 30 CO -0.12 0.17 0.37 0.00 -1.14 0.00 0.00 176.83 176.11 1q80 h MET 31 N -0.35 1.05 -0.00 3.45 -0.00 -1.05 -1.41 114.93 116.62 1q80 h MET 31 Ca -0.01 -0.14 -0.00 0.00 -0.00 0.00 0.00 59.70 59.55 1q80 h MET 31 Cb 0.30 -0.20 -0.00 0.00 -0.00 0.00 0.00 31.60 31.70 1q80 h MET 31 CO 0.02 0.80 0.00 0.00 -0.00 0.00 0.00 176.91 177.73 1q80 h ALA 32 N 1.36 0.00 -0.14 -3.00 0.00 -1.31 -0.26 119.26 115.91 1q80 h ALA 32 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1q80 h ALA 32 Cb 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1q80 h ALA 32 CO -0.04 -0.46 0.04 1.49 0.00 0.00 0.00 179.25 180.29 1q80 h GLU 33 N -0.08 0.21 -0.72 0.00 4.22 -1.36 -0.21 114.58 116.64 1q80 h GLU 33 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1q80 h GLU 33 Cb 0.08 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1q80 h GLU 33 CO -0.00 0.34 0.45 0.00 -2.18 0.00 0.00 179.01 177.62 1q80 h ARG 34 N 0.04 0.97 -0.08 1.92 -0.00 -1.29 -0.34 114.38 115.60 1q80 h ARG 34 Ca 0.04 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.43 1q80 h ARG 34 Cb 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 1q80 h ARG 34 CO -0.00 0.67 -0.00 0.35 0.00 0.00 0.00 179.97 180.99 1q80 h PHE 35 N 0.98 0.16 0.00 3.04 3.04 -1.02 -1.68 116.94 121.46 1q80 h PHE 35 Ca 0.26 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.15 1q80 h PHE 35 Cb -0.06 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.40 1q80 h PHE 35 CO -0.02 0.42 -0.16 0.00 -2.02 0.00 0.00 178.31 176.54 1q80 h ALA 36 N 0.72 1.72 0.12 2.41 0.00 -0.91 -1.71 119.26 121.61 1q80 h ALA 36 Ca 0.02 -0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.43 1q80 h ALA 36 Cb 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1q80 h ALA 36 CO 0.00 0.20 -1.97 1.17 0.00 0.00 0.00 179.25 178.65 1q80 n LYS 37 N -4.32 0.76 0.00 0.00 0.00 -0.15 -4.74 118.16 109.70 1q80 n LYS 37 Ca -0.03 0.27 0.05 0.00 0.00 0.00 0.00 58.31 58.60 1q80 n LYS 37 Cb 0.23 -1.72 -0.05 0.00 0.00 0.00 0.00 35.03 33.48 1q80 n LYS 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1q80 n GLU 38 N -3.47 3.20 -4.49 1.64 4.07 -0.63 -5.07 120.64 115.89 1q80 n GLU 38 Ca -0.31 -0.09 -0.25 0.00 -0.06 0.00 0.00 57.16 56.45 1q80 n GLU 38 Cb 1.05 -1.03 -0.10 0.00 -0.06 0.00 0.00 31.44 31.30 1q80 n GLU 38 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1q80 s SER 39 N -1.95 3.64 0.07 4.31 0.15 -0.64 -5.04 113.70 114.24 1q80 s SER 39 Ca 0.05 -1.08 -0.31 0.00 0.70 0.00 0.00 55.95 55.31 1q80 s SER 39 Cb 0.08 -0.32 -0.08 0.00 -1.71 0.00 0.00 66.02 63.99 1q80 s SER 39 CO 0.42 -0.04 1.68 -1.61 1.20 0.00 0.00 173.24 174.90 1q80 s GLU 40 N -3.54 4.19 -0.15 5.44 8.01 -1.26 -4.69 118.70 126.69 1q80 s GLU 40 Ca 0.31 2.36 -0.08 0.00 0.01 0.00 0.00 54.97 57.57 1q80 s GLU 40 Cb -0.03 -3.62 0.06 0.00 -4.31 0.00 0.00 34.13 26.23 1q80 s GLU 40 CO 0.16 -0.75 0.36 0.00 0.01 0.00 0.00 175.26 175.03 1q80 s MET 41 N 2.72 0.32 -0.68 1.61 0.23 -1.26 -4.72 119.30 117.52 1q80 s MET 41 Ca 0.75 0.75 -0.27 0.00 -1.03 0.00 0.00 55.69 55.89 1q80 s MET 41 Cb -0.40 -0.01 0.03 0.00 -1.53 0.00 0.00 34.83 32.92 1q80 s MET 41 CO 0.33 -0.18 1.21 0.15 -2.03 0.00 0.00 175.02 174.49 1q80 s LYS 42 N 1.60 3.28 0.36 3.16 1.02 -1.17 -4.77 119.74 123.21 1q80 s LYS 42 Ca -0.08 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1q80 s LYS 42 Cb -0.10 -4.13 0.00 0.00 -0.52 0.00 0.00 37.83 33.08 1q80 s LYS 42 CO -0.11 -1.96 0.00 0.00 -0.92 0.00 0.00 175.35 172.36 1q80 n ALA 43 N 8.87 0.00 0.24 5.17 0.00 -1.26 -1.59 120.51 131.93 1q80 n ALA 43 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1q80 n ALA 43 Cb 0.49 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.52 1q80 n ALA 43 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1q80 h GLU 44 N 0.00 0.00 0.00 0.00 4.39 -1.99 -3.22 114.58 113.77 1q80 h GLU 44 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1q80 h GLU 44 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1q80 h GLU 44 CO 0.00 0.17 0.00 0.72 -1.16 0.00 0.00 179.01 178.74 1q80 n HIS 45 N -4.06 0.11 -0.13 4.33 8.25 -0.62 -2.26 115.22 120.84 1q80 n HIS 45 Ca -0.02 0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 1q80 n HIS 45 Cb 0.25 -0.58 -0.02 0.00 1.12 0.00 0.00 29.99 30.75 1q80 n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q80 h ALA 46 N 2.13 0.51 -0.02 -1.41 0.00 -1.79 -0.25 119.26 118.43 1q80 h ALA 46 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1q80 h ALA 46 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1q80 h ALA 46 CO 0.00 0.29 0.01 0.87 0.00 0.00 0.00 179.25 180.43 1q80 h LYS 47 N 0.49 0.03 -0.65 0.00 1.57 -1.71 -2.81 116.57 113.49 1q80 h LYS 47 Ca 0.11 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1q80 h LYS 47 Cb 0.48 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 1q80 h LYS 47 CO 0.02 0.12 0.36 0.28 -0.57 0.00 0.00 179.45 179.66 1q80 h VAL 48 N -0.06 0.98 -0.43 0.50 2.07 -1.55 0.26 116.25 118.02 1q80 h VAL 48 Ca 0.01 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1q80 h VAL 48 Cb 0.10 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1q80 h VAL 48 CO -0.00 0.12 0.02 0.25 0.02 0.00 0.00 177.57 177.99 1q80 h LEU 49 N 0.68 -0.13 -0.20 2.57 5.85 -1.02 0.16 115.31 123.22 1q80 h LEU 49 Ca 0.29 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 1q80 h LEU 49 Cb 0.16 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1q80 h LEU 49 CO -0.17 -0.03 0.10 -0.03 -0.34 0.00 0.00 178.44 177.97 1q80 h MET 50 N 0.14 0.28 -0.69 1.25 4.05 -1.11 -0.98 114.93 117.86 1q80 h MET 50 Ca 0.22 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1q80 h MET 50 Cb 0.30 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 1q80 h MET 50 CO -0.34 0.29 0.36 -0.44 0.23 0.00 0.00 176.91 177.01 1q80 h ASP 51 N 0.19 0.88 -0.06 1.39 3.32 -0.78 -1.57 116.42 119.80 1q80 h ASP 51 Ca 0.07 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1q80 h ASP 51 Cb 0.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1q80 h ASP 51 CO -0.01 0.74 -0.08 -1.28 -1.72 0.00 0.00 179.24 176.90 1q80 h SER 52 N 0.95 0.16 0.13 6.45 0.87 -0.67 0.22 113.55 121.66 1q80 h SER 52 Ca 0.24 -0.52 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 1q80 h SER 52 Cb 0.07 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1q80 h SER 52 CO -0.04 0.66 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.61 1q80 h LEU 53 N -0.32 0.19 0.23 2.23 3.38 -1.20 -1.83 115.31 117.98 1q80 h LEU 53 Ca 0.01 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.63 1q80 h LEU 53 Cb 0.62 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.35 1q80 h LEU 53 CO 0.02 0.44 -1.31 0.71 0.09 0.00 0.00 178.44 178.39 1q80 h THR 54 N 0.18 1.34 -0.73 0.22 1.35 -1.36 -3.36 112.91 110.55 1q80 h THR 54 Ca 0.03 -2.65 0.11 0.00 -0.55 0.00 0.00 66.41 63.34 1q80 h THR 54 Cb 0.52 3.09 -0.05 0.00 -1.73 0.00 0.00 68.15 69.98 1q80 h THR 54 CO 0.04 0.78 0.48 1.23 -0.25 0.00 0.00 175.52 177.80 1q80 h GLY 55 N 0.01 0.86 0.67 5.82 0.00 -0.81 -1.03 103.07 108.59 1q80 h GLY 55 Ca -0.23 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 46.89 1q80 h GLY 55 CO 0.25 0.13 -0.10 -0.39 0.00 0.00 0.00 176.54 176.43 1q80 h VAL 56 N 0.58 0.73 0.58 4.60 -1.51 -1.47 -0.36 116.25 119.41 1q80 h VAL 56 Ca 0.34 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.78 1q80 h VAL 56 Cb 0.55 0.73 0.01 0.00 -2.13 0.00 0.00 31.29 30.45 1q80 h VAL 56 CO -0.12 0.00 -0.28 -0.25 -1.23 0.00 0.00 177.57 175.69 1q80 h TRP 57 N -0.14 -0.73 -0.63 5.19 2.91 -1.67 -2.43 115.95 118.46 1q80 h TRP 57 Ca 0.06 -0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.19 1q80 h TRP 57 Cb 0.22 0.24 -0.11 0.00 -0.51 0.00 0.00 29.16 29.00 1q80 h TRP 57 CO -0.19 -0.45 -0.04 -0.44 -1.03 0.00 0.00 178.44 176.28 1q80 h ASP 58 N -1.18 -0.37 0.58 2.65 3.32 -1.20 -0.74 116.42 119.48 1q80 h ASP 58 Ca -0.08 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1q80 h ASP 58 Cb 0.60 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1q80 h ASP 58 CO 0.13 -0.15 -0.95 0.59 -1.72 0.00 0.00 179.24 177.14 1q80 n ASN 59 N -5.33 0.63 0.00 6.45 4.13 -0.15 -4.64 115.26 116.36 1q80 n ASN 59 Ca 0.09 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1q80 n ASN 59 Cb 0.36 0.64 0.00 0.00 -1.54 0.00 0.00 39.78 39.24 1q80 n ASN 59 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1q80 n PHE 60 N -2.07 0.00 0.31 3.10 3.72 -1.03 -4.92 117.46 116.57 1q80 n PHE 60 Ca 0.02 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.59 1q80 n PHE 60 Cb 0.45 0.14 0.99 0.00 -0.94 0.00 0.00 39.48 40.13 1q80 n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1q80 h LEU 61 N 0.00 0.00 -2.21 4.37 5.85 -1.29 -3.11 115.31 118.92 1q80 h LEU 61 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1q80 h LEU 61 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1q80 h LEU 61 CO 0.00 0.00 0.19 0.74 -0.34 0.00 0.00 178.44 179.03 1q80 h THR 62 N 0.00 0.54 0.00 1.05 2.02 -1.40 -2.99 112.91 112.14 1q80 h THR 62 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1q80 h THR 62 Cb 0.01 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1q80 h THR 62 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1q80 n ALA 63 N -2.38 1.60 0.04 6.16 0.00 -1.18 -2.20 120.51 122.55 1q80 n ALA 63 Ca 0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1q80 n ALA 63 Cb 0.31 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 1q80 n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1q80 h VAL 64 N 0.00 0.58 -0.52 0.00 2.07 -1.80 -3.41 116.25 113.17 1q80 h VAL 64 Ca 0.00 -1.14 -0.30 0.00 0.82 0.00 0.00 66.70 66.08 1q80 h VAL 64 Cb 0.18 1.03 -0.40 0.00 -1.52 0.00 0.00 31.29 30.57 1q80 h VAL 64 CO 0.00 0.17 -1.08 0.00 0.02 0.00 0.00 177.57 176.68 1q80 n ALA 65 N -2.66 3.02 -0.32 1.67 0.00 -1.25 -5.06 120.51 115.91 1q80 n ALA 65 Ca -0.06 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.43 1q80 n ALA 65 Cb 0.22 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1q80 n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q80 n GLY 66 N -0.58 1.76 0.00 0.00 0.00 -0.94 -2.72 105.19 102.71 1q80 n GLY 66 Ca 0.13 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1q80 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q80 n GLY 67 N 0.00 0.00 3.77 -0.02 0.00 -1.26 -4.64 105.19 103.04 1q80 n GLY 67 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1q80 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q80 s LYS 68 N -0.04 2.47 0.30 1.61 -0.14 -1.10 -4.48 119.74 118.36 1q80 s LYS 68 Ca 0.00 1.25 -0.29 0.00 -1.36 0.00 0.00 55.97 55.57 1q80 s LYS 68 Cb 0.00 -1.92 -0.12 0.00 -1.68 0.00 0.00 37.83 34.11 1q80 s LYS 68 CO 0.00 -1.49 1.40 0.41 -0.76 0.00 0.00 175.35 174.92 1q80 n GLY 69 N -0.95 0.84 3.54 -3.33 0.00 -1.26 -4.75 105.19 99.28 1q80 n GLY 69 Ca 0.10 0.41 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 1q80 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q80 s ILE 70 N -0.53 5.28 0.97 -0.61 -1.09 0.46 -4.77 121.20 120.92 1q80 s ILE 70 Ca 0.61 -0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.79 1q80 s ILE 70 Cb -0.58 -3.67 0.17 0.00 -1.58 0.00 0.00 42.46 36.81 1q80 s ILE 70 CO 0.55 0.06 1.10 1.51 -1.23 0.00 0.00 174.94 176.93 1q80 s ASP 71 N 1.73 2.86 0.23 3.58 1.47 -1.26 -1.52 116.67 123.76 1q80 s ASP 71 Ca 0.06 1.16 -0.06 0.00 1.18 0.00 0.00 52.55 54.89 1q80 s ASP 71 Cb -0.17 -1.82 0.31 0.00 -0.34 0.00 0.00 42.92 40.90 1q80 s ASP 71 CO 0.11 -2.98 1.84 -0.08 0.68 0.00 0.00 175.17 174.74 1q80 h GLU 72 N -1.79 0.87 0.27 2.11 4.81 -1.99 -1.31 114.58 117.55 1q80 h GLU 72 Ca -0.53 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.63 1q80 h GLU 72 Cb 1.33 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1q80 h GLU 72 CO 0.58 0.58 -0.13 1.15 -0.73 0.00 0.00 179.01 180.46 1q80 h THR 73 N 0.90 0.76 -0.73 0.32 2.02 -1.98 -1.94 112.91 112.26 1q80 h THR 73 Ca 0.36 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 1q80 h THR 73 Cb 0.17 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1q80 h THR 73 CO -0.17 0.04 0.32 0.71 0.37 0.00 0.00 175.52 176.79 1q80 h THR 74 N -0.44 1.24 0.28 3.16 1.35 -1.92 0.16 112.91 116.73 1q80 h THR 74 Ca -0.04 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1q80 h THR 74 Cb 0.34 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1q80 h THR 74 CO 0.06 0.29 -0.13 0.15 -0.25 0.00 0.00 175.52 175.64 1q80 h PHE 75 N 1.03 -0.34 0.61 4.73 3.57 -1.25 -0.85 116.94 124.42 1q80 h PHE 75 Ca 0.25 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1q80 h PHE 75 Cb 0.16 0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.02 1q80 h PHE 75 CO 0.01 -0.10 -0.29 0.82 -2.23 0.00 0.00 178.31 176.52 1q80 h ILE 76 N -0.54 0.40 -0.24 1.41 5.03 -1.30 -1.64 117.51 120.64 1q80 h ILE 76 Ca -0.04 -0.01 -0.01 0.00 -0.12 0.00 0.00 64.86 64.68 1q80 h ILE 76 Cb 0.40 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 34.59 1q80 h ILE 76 CO 0.06 0.00 0.11 0.78 -0.68 0.00 0.00 178.15 178.43 1q80 h ASN 77 N -0.82 0.32 -0.35 1.72 2.35 -0.77 -0.44 115.58 117.60 1q80 h ASN 77 Ca -0.08 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 1q80 h ASN 77 Cb 0.63 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1q80 h ASN 77 CO 0.14 0.37 0.13 -1.28 -1.65 0.00 0.00 177.43 175.14 1q80 h SER 78 N 0.26 0.50 -0.08 5.81 0.87 -1.21 -2.40 113.55 117.30 1q80 h SER 78 Ca 0.08 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1q80 h SER 78 Cb 0.14 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1q80 h SER 78 CO -0.01 0.55 0.00 0.24 -0.53 0.00 0.00 176.83 177.08 1q80 h MET 79 N 0.42 0.14 -0.96 2.24 2.86 -1.31 -2.53 114.93 115.80 1q80 h MET 79 Ca 0.12 -0.04 0.15 0.00 -2.06 0.00 0.00 59.70 57.86 1q80 h MET 79 Cb 0.21 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.77 1q80 h MET 79 CO -0.01 0.40 0.57 -0.22 1.06 0.00 0.00 176.91 178.71 1q80 h LYS 80 N -0.14 0.80 0.18 1.72 3.64 -1.08 -2.16 116.57 119.53 1q80 h LYS 80 Ca 0.02 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.12 1q80 h LYS 80 Cb 0.33 -0.18 0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1q80 h LYS 80 CO 0.00 0.53 -1.01 0.93 -2.27 0.00 0.00 179.45 177.64 1q80 h GLU 81 N 0.83 0.37 0.00 1.90 4.39 -1.51 -3.35 114.58 117.21 1q80 h GLU 81 Ca 0.51 -0.64 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1q80 h GLU 81 Cb 0.64 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1q80 h GLU 81 CO -0.32 1.30 -0.01 0.52 -1.16 0.00 0.00 179.01 179.34 1q80 h MET 82 N -0.22 0.00 0.00 2.33 2.86 -1.29 -2.66 114.93 115.94 1q80 h MET 82 Ca -0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1q80 h MET 82 Cb 1.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.46 1q80 h MET 82 CO 0.19 0.01 0.00 0.28 1.06 0.00 0.00 176.91 178.45 1q80 h VAL 83 N 0.00 0.00 -0.71 -2.22 2.07 -1.52 -3.36 116.25 110.51 1q80 h VAL 83 Ca -0.00 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1q80 h VAL 83 Cb 0.03 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1q80 h VAL 83 CO 0.00 0.00 0.28 0.11 0.02 0.00 0.00 177.57 177.99 1q80 h LYS 84 N 0.00 1.06 -5.56 1.57 1.79 -1.62 -3.45 116.57 110.36 1q80 h LYS 84 Ca 0.00 -0.19 -0.66 0.00 -2.18 0.00 0.00 60.65 57.62 1q80 h LYS 84 Cb 0.47 -0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 30.87 1q80 h LYS 84 CO 0.00 0.87 -0.48 1.21 -1.08 0.00 0.00 179.45 179.97 1q80 s ASN 85 N -6.24 6.34 0.59 0.86 2.47 -1.26 -5.02 114.94 112.69 1q80 s ASN 85 Ca -0.13 0.42 0.29 0.00 0.42 0.00 0.00 52.86 53.86 1q80 s ASN 85 Cb 0.14 -2.07 1.75 0.00 -1.45 0.00 0.00 41.25 39.62 1q80 s ASN 85 CO 0.82 0.36 2.20 1.55 -3.72 0.00 0.00 177.10 178.31 1q80 h PRO 86 N 5.34 0.00 -4.05 0.43 0.13 -1.91 -3.35 132.00 128.59 1q80 h PRO 86 Ca -0.52 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.84 1q80 h PRO 86 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1q80 h PRO 86 CO 0.62 0.00 0.54 -1.21 -0.23 0.00 0.00 178.00 177.72 1q80 s GLU 87 N -4.65 3.91 0.00 0.86 8.01 -1.26 -3.93 118.70 121.65 1q80 s GLU 87 Ca -0.05 -2.68 0.00 0.00 0.01 0.00 0.00 54.97 52.26 1q80 s GLU 87 Cb 0.15 -4.65 0.00 0.00 -4.31 0.00 0.00 34.13 25.32 1q80 s GLU 87 CO 0.55 -1.42 0.00 0.00 0.01 0.00 0.00 175.26 174.40 1q80 n ALA 88 N 4.12 0.00 -0.38 5.21 0.00 -1.26 -4.98 120.51 123.22 1q80 n ALA 88 Ca 0.23 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.97 1q80 n ALA 88 Cb 0.44 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.46 1q80 n ALA 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1q80 h LYS 89 N 0.00 0.22 -0.86 0.00 1.57 -1.73 -2.58 116.57 113.19 1q80 h LYS 89 Ca 0.00 -0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.02 1q80 h LYS 89 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1q80 h LYS 89 CO 0.00 0.15 0.71 0.66 -0.57 0.00 0.00 179.45 180.39 1q80 h SER 90 N 0.23 0.00 -0.35 0.86 4.64 -1.94 -1.59 113.55 115.40 1q80 h SER 90 Ca 0.72 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.98 1q80 h SER 90 Cb 2.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.12 1q80 h SER 90 CO -0.39 0.00 0.03 1.62 -0.87 0.00 0.00 176.83 177.22 1q80 h VAL 91 N 0.00 1.22 0.09 0.95 3.04 -1.84 -0.29 116.25 119.43 1q80 h VAL 91 Ca 0.41 -0.88 -0.28 0.00 -1.01 0.00 0.00 66.70 64.94 1q80 h VAL 91 Cb 1.81 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.94 1q80 h VAL 91 CO -0.00 0.31 -1.45 1.62 -1.01 0.00 0.00 177.57 177.04 1q80 h VAL 92 N 0.67 0.96 0.14 1.51 3.04 -1.54 -3.42 116.25 117.61 1q80 h VAL 92 Ca 0.14 -2.35 -0.28 0.00 -1.01 0.00 0.00 66.70 63.20 1q80 h VAL 92 Cb 0.37 2.60 0.01 0.00 -2.01 0.00 0.00 31.29 32.26 1q80 h VAL 92 CO 0.01 0.66 -1.29 1.05 -1.01 0.00 0.00 177.57 176.99 1q80 h GLU 93 N -0.39 0.29 -0.92 4.17 -0.00 -1.53 -3.39 114.58 112.81 1q80 h GLU 93 Ca -0.33 -0.50 0.27 0.00 -0.00 0.00 0.00 59.36 58.80 1q80 h GLU 93 Cb 1.70 0.19 -0.16 0.00 -0.00 0.00 0.00 28.75 30.48 1q80 h GLU 93 CO 0.01 1.23 0.22 0.78 -0.00 0.00 0.00 179.01 181.25 1q80 h GLY 94 N 1.48 1.45 2.00 1.06 0.00 -1.28 -1.73 103.07 106.05 1q80 h GLY 94 Ca -0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1q80 h GLY 94 CO 0.21 -0.46 -0.00 -2.55 0.00 0.00 0.00 176.54 173.74 1q80 h PRO 95 N 0.13 0.00 0.31 4.80 0.11 -1.80 -3.35 132.00 132.20 1q80 h PRO 95 Ca 0.60 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.70 1q80 h PRO 95 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1q80 h PRO 95 CO -0.74 0.00 -0.15 1.25 -0.21 0.00 0.00 178.00 178.16 1q80 h LEU 96 N 0.00 -0.35 -1.64 2.35 5.85 -1.59 -0.93 115.31 119.00 1q80 h LEU 96 Ca -0.00 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1q80 h LEU 96 Cb 0.07 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1q80 h LEU 96 CO 0.00 -0.19 0.40 1.55 -0.34 0.00 0.00 178.44 179.86 1q80 h PRO 97 N -0.49 0.39 -0.39 5.25 0.13 -1.79 -1.36 132.00 133.75 1q80 h PRO 97 Ca -0.04 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1q80 h PRO 97 Cb 0.37 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 1q80 h PRO 97 CO 0.07 0.26 0.07 -0.07 -0.23 0.00 0.00 178.00 178.10 1q80 h LEU 98 N 0.40 0.61 -1.15 1.56 4.07 -1.71 -2.71 115.31 116.38 1q80 h LEU 98 Ca 0.28 -0.25 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 1q80 h LEU 98 Cb 0.56 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1q80 h LEU 98 CO -0.08 0.71 -0.02 -0.26 -1.08 0.00 0.00 178.44 177.71 1q80 h PHE 99 N 0.48 0.60 -0.15 1.13 0.04 -0.55 -2.84 116.94 115.65 1q80 h PHE 99 Ca 0.12 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.85 1q80 h PHE 99 Cb 0.35 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1q80 h PHE 99 CO 0.02 0.59 -0.02 0.35 -0.60 0.00 0.00 178.31 178.66 1q80 h PHE 100 N 0.55 -0.04 -0.21 -0.55 3.57 -1.11 -1.38 116.94 117.77 1q80 h PHE 100 Ca 0.11 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1q80 h PHE 100 Cb 0.37 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1q80 h PHE 100 CO 0.01 -0.04 0.14 -0.09 -2.23 0.00 0.00 178.31 176.11 1q80 h ARG 101 N 0.03 0.08 -0.04 1.11 9.65 -1.37 0.17 114.38 124.01 1q80 h ARG 101 Ca 0.07 -0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.84 1q80 h ARG 101 Cb 0.10 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1q80 h ARG 101 CO -0.13 0.05 -0.40 0.00 2.80 0.00 0.00 179.97 182.29 1q80 h ALA 102 N 1.89 0.10 0.02 2.80 0.00 -1.21 -3.39 119.26 119.46 1q80 h ALA 102 Ca 0.09 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1q80 h ALA 102 Cb 0.27 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1q80 h ALA 102 CO -0.01 0.22 -0.51 0.28 0.00 0.00 0.00 179.25 179.23 1q80 h VAL 103 N -0.21 1.48 -1.00 0.00 2.07 -1.07 -3.38 116.25 114.15 1q80 h VAL 103 Ca -0.04 -2.11 -0.51 0.00 0.82 0.00 0.00 66.70 64.87 1q80 h VAL 103 Cb 1.09 2.74 -0.08 0.00 -1.52 0.00 0.00 31.29 33.52 1q80 h VAL 103 CO 0.08 0.60 1.27 -0.62 0.02 0.00 0.00 177.57 178.91 1q80 s ASP 104 N -6.64 6.08 0.63 0.57 -1.08 0.59 -4.86 116.67 111.97 1q80 s ASP 104 Ca -0.14 -1.21 0.13 0.00 -0.52 0.00 0.00 52.55 50.81 1q80 s ASP 104 Cb 0.02 -2.57 0.45 0.00 -1.46 0.00 0.00 42.92 39.37 1q80 s ASP 104 CO 0.80 -1.89 1.14 1.07 0.52 0.00 0.00 175.17 176.81 1q80 n THR 105 N 7.19 0.00 0.00 1.71 5.66 -1.26 -1.57 114.28 126.01 1q80 n THR 105 Ca 0.35 1.13 0.00 0.00 -3.05 0.00 0.00 64.05 62.48 1q80 n THR 105 Cb 0.50 -2.12 0.00 0.00 -1.55 0.00 0.00 70.33 67.15 1q80 n THR 105 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1q80 n ASN 106 N -2.86 0.94 -1.57 1.09 6.94 -1.26 -3.05 115.26 115.49 1q80 n ASN 106 Ca 0.12 -0.06 -0.04 0.00 -0.02 0.00 0.00 54.58 54.57 1q80 n ASN 106 Cb 1.26 0.31 0.02 0.00 -2.36 0.00 0.00 39.78 39.02 1q80 n ASN 106 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1q80 n GLU 107 N -0.40 -1.69 0.00 -3.83 2.13 -0.61 -4.98 120.64 111.26 1q80 n GLU 107 Ca 0.00 0.21 0.10 0.00 0.66 0.00 0.00 57.16 58.13 1q80 n GLU 107 Cb 0.00 -3.34 0.48 0.00 0.27 0.00 0.00 31.44 28.85 1q80 n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1q80 n ASP 108 N -1.32 0.00 0.00 4.31 5.68 -1.26 -4.92 116.55 119.04 1q80 n ASP 108 Ca -0.06 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1q80 n ASP 108 Cb 0.54 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1q80 n ASP 108 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1q80 n ASN 109 N -1.34 0.00 -3.82 -1.12 0.23 -1.26 -5.13 115.26 102.82 1q80 n ASN 109 Ca 0.08 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.01 1q80 n ASN 109 Cb 0.18 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.74 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1q80 s ASN 110 N -1.95 -0.11 -0.41 0.53 0.01 -1.26 -3.97 114.94 107.77 1q80 s ASN 110 Ca 0.00 0.22 -0.15 0.00 -0.71 0.00 0.00 52.86 52.22 1q80 s ASN 110 Cb 0.00 0.21 0.02 0.00 0.41 0.00 0.00 41.25 41.89 1q80 s ASN 110 CO 0.00 -0.05 0.31 -0.63 -1.51 0.00 0.00 177.10 175.22 1q80 s ILE 111 N 0.19 5.25 0.76 0.60 1.01 -0.29 -4.84 121.20 123.87 1q80 s ILE 111 Ca -0.01 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 1q80 s ILE 111 Cb -0.02 -3.94 0.10 0.00 0.01 0.00 0.00 42.46 38.61 1q80 s ILE 111 CO -0.01 -0.32 1.07 -0.94 0.00 0.00 0.00 174.94 174.74 1q80 s SER 112 N 1.70 4.40 0.54 3.58 1.04 -1.26 -1.18 113.70 122.52 1q80 s SER 112 Ca 0.05 0.26 0.27 0.00 0.48 0.00 0.00 55.95 57.01 1q80 s SER 112 Cb -0.19 -0.74 1.43 0.00 0.10 0.00 0.00 66.02 66.62 1q80 s SER 112 CO 0.10 -1.86 1.98 0.08 0.98 0.00 0.00 173.24 174.52 1q80 h ARG 113 N -0.78 0.00 0.05 4.02 -0.00 -1.99 -1.65 114.38 114.03 1q80 h ARG 113 Ca -0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.55 1q80 h ARG 113 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.26 1q80 h ARG 113 CO 0.52 0.00 -0.02 -0.44 -0.00 0.00 0.00 179.97 180.03 1q80 h ASP 114 N 0.00 -0.05 -0.21 0.08 3.32 -1.93 -0.31 116.42 117.31 1q80 h ASP 114 Ca 0.26 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1q80 h ASP 114 Cb 1.09 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1q80 h ASP 114 CO -0.00 0.40 0.12 -0.33 -1.72 0.00 0.00 179.24 177.71 1q80 h GLU 115 N -0.52 0.29 -0.47 3.56 3.07 -1.79 0.70 114.58 119.43 1q80 h GLU 115 Ca -0.01 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1q80 h GLU 115 Cb 0.46 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1q80 h GLU 115 CO 0.01 0.24 -0.01 -0.92 -1.40 0.00 0.00 179.01 176.93 1q80 h TYR 116 N 0.25 0.83 -0.50 4.33 3.20 -1.42 -1.60 116.97 122.07 1q80 h TYR 116 Ca 0.08 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 1q80 h TYR 116 Cb 0.03 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1q80 h TYR 116 CO -0.05 0.78 0.17 0.78 -1.64 0.00 0.00 178.16 178.20 1q80 h GLY 117 N 0.97 0.82 0.98 1.82 0.00 -0.83 -1.53 103.07 105.29 1q80 h GLY 117 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1q80 h GLY 117 CO 0.02 0.44 0.25 -2.22 0.00 0.00 0.00 176.54 175.04 1q80 h ILE 118 N 0.67 1.17 -0.12 2.60 5.03 -0.77 -0.22 117.51 125.88 1q80 h ILE 118 Ca 0.16 -0.45 0.04 0.00 -0.12 0.00 0.00 64.86 64.50 1q80 h ILE 118 Cb 0.24 0.60 -0.05 0.00 -3.03 0.00 0.00 36.82 34.59 1q80 h ILE 118 CO -0.01 0.18 -0.16 0.15 -0.68 0.00 0.00 178.15 177.63 1q80 h PHE 119 N 0.62 -0.42 -0.47 1.37 3.57 -1.18 -1.39 116.94 119.04 1q80 h PHE 119 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1q80 h PHE 119 Cb 0.07 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1q80 h PHE 119 CO -0.02 -0.23 0.24 0.74 -2.23 0.00 0.00 178.31 176.81 1q80 h PHE 120 N -0.21 0.64 0.15 0.41 -1.00 -1.12 -2.62 116.94 113.19 1q80 h PHE 120 Ca 0.09 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 1q80 h PHE 120 Cb 0.34 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1q80 h PHE 120 CO -0.27 0.47 -0.07 0.78 -1.61 0.00 0.00 178.31 177.61 1q80 h GLY 121 N 0.76 -0.21 1.86 -1.45 0.00 -0.70 -3.08 103.07 100.24 1q80 h GLY 121 Ca 0.17 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 1q80 h GLY 121 CO -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 176.54 176.34 1q80 h MET 122 N -0.52 0.18 0.00 4.80 -0.00 -1.26 -2.33 114.93 115.80 1q80 h MET 122 Ca -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1q80 h MET 122 Cb 0.40 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 1q80 h MET 122 CO 0.03 0.29 0.01 -0.11 -0.00 0.00 0.00 176.91 177.13 1q80 n LEU 123 N -4.33 0.55 -0.11 -0.10 -0.00 -0.99 -4.90 117.00 107.11 1q80 n LEU 123 Ca -0.01 0.75 -0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1q80 n LEU 123 Cb 0.23 -0.82 0.00 0.00 -0.00 0.00 0.00 43.42 42.83 1q80 n LEU 123 CO 0.37 -0.94 -0.00 0.61 -0.00 0.00 0.00 177.39 177.42 1q80 n GLY 124 N -1.30 0.42 0.36 -3.96 0.00 -0.88 -5.08 105.19 94.74 1q80 n GLY 124 Ca -0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 1q80 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q80 n LEU 125 N -0.13 0.00 -4.68 0.99 7.99 -1.17 -5.09 117.00 114.91 1q80 n LEU 125 Ca -0.00 -0.32 -0.41 0.00 -0.01 0.00 0.00 56.01 55.27 1q80 n LEU 125 Cb 0.50 0.06 -0.05 0.00 -0.11 0.00 0.00 43.42 43.83 1q80 n LEU 125 CO 0.01 -0.05 0.51 -0.62 -1.51 0.00 0.00 177.39 175.73 1q80 s ASP 126 N -1.27 6.93 0.41 -1.43 2.15 -1.26 -4.63 116.67 117.56 1q80 s ASP 126 Ca 0.01 1.14 0.08 0.00 0.43 0.00 0.00 52.55 54.20 1q80 s ASP 126 Cb 0.00 -2.43 0.85 0.00 -0.30 0.00 0.00 42.92 41.04 1q80 s ASP 126 CO 0.01 -0.29 2.03 0.11 -0.17 0.00 0.00 175.17 176.86 1q80 h LYS 127 N 7.17 0.47 0.00 4.34 6.56 -1.91 -1.77 116.57 131.43 1q80 h LYS 127 Ca -0.34 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.21 1q80 h LYS 127 Cb 1.16 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.72 1q80 h LYS 127 CO 0.80 0.36 0.00 0.25 -2.06 0.00 0.00 179.45 178.80 1q80 n THR 128 N -4.43 1.09 0.10 -0.16 -2.24 -1.26 -2.17 114.28 105.21 1q80 n THR 128 Ca 0.02 0.63 -0.04 0.00 -2.27 0.00 0.00 64.05 62.39 1q80 n THR 128 Cb 0.11 -1.62 0.04 0.00 -2.10 0.00 0.00 70.33 66.76 1q80 n THR 128 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1q80 h MET 129 N 0.00 0.03 -0.63 -0.78 -1.53 -1.74 -3.38 114.93 106.89 1q80 h MET 129 Ca 0.00 -0.03 0.09 0.00 -3.44 0.00 0.00 59.70 56.32 1q80 h MET 129 Cb 0.06 0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.05 1q80 h MET 129 CO 0.00 0.80 0.28 0.00 0.14 0.00 0.00 176.91 178.13 1q80 h ALA 130 N 1.19 0.84 -0.92 0.39 0.00 -1.60 -3.21 119.26 115.96 1q80 h ALA 130 Ca -0.01 0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.17 1q80 h ALA 130 Cb 1.40 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 1q80 h ALA 130 CO 0.11 -0.13 0.47 -1.35 0.00 0.00 0.00 179.25 178.34 1q80 h PRO 131 N 0.49 0.51 -0.85 0.00 0.11 -1.78 -0.53 132.00 129.95 1q80 h PRO 131 Ca 0.31 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.51 1q80 h PRO 131 Cb 0.35 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.26 1q80 h PRO 131 CO -0.28 0.34 0.47 0.00 -0.21 0.00 0.00 178.00 178.33 1q80 h ALA 132 N 1.67 1.25 0.11 -0.75 0.00 -1.84 -0.64 119.26 119.07 1q80 h ALA 132 Ca 0.56 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.35 1q80 h ALA 132 Cb 0.98 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1q80 h ALA 132 CO -0.46 0.03 -0.75 1.03 0.00 0.00 0.00 179.25 179.09 1q80 h SER 133 N 0.74 0.36 0.18 0.00 0.87 -1.61 -3.29 113.55 110.81 1q80 h SER 133 Ca 0.44 -0.94 0.01 0.00 -1.23 0.00 0.00 61.79 60.07 1q80 h SER 133 Cb 0.50 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 1q80 h SER 133 CO -0.30 1.35 -0.35 0.15 -0.53 0.00 0.00 176.83 177.16 1q80 h PHE 134 N -0.50 -0.95 -0.67 2.24 3.04 -0.94 -2.57 116.94 116.60 1q80 h PHE 134 Ca -0.14 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.87 1q80 h PHE 134 Cb 1.53 0.39 -0.04 0.00 2.56 0.00 0.00 35.95 40.39 1q80 h PHE 134 CO 0.20 -0.46 0.44 -0.44 -2.02 0.00 0.00 178.31 176.03 1q80 h ASP 135 N -0.62 0.65 0.09 0.41 5.19 -1.32 -1.43 116.42 119.39 1q80 h ASP 135 Ca 0.01 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 1q80 h ASP 135 Cb 0.62 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1q80 h ASP 135 CO -0.16 0.44 -0.26 0.00 -3.12 0.00 0.00 179.24 176.13 1q80 h ALA 136 N 1.62 1.26 0.01 3.45 0.00 -1.58 -3.33 119.26 120.70 1q80 h ALA 136 Ca 0.28 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1q80 h ALA 136 Cb 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1q80 h ALA 136 CO -0.08 0.49 -1.73 -0.89 0.00 0.00 0.00 179.25 177.04 1q80 n ILE 137 N -4.14 1.63 -1.38 0.00 5.41 -0.98 -4.82 119.36 115.08 1q80 n ILE 137 Ca -0.01 -0.78 -0.30 0.00 1.00 0.00 0.00 62.75 62.66 1q80 n ILE 137 Cb 0.38 -1.12 -0.09 0.00 -0.71 0.00 0.00 39.64 38.09 1q80 n ILE 137 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1q80 n ASP 138 N -3.10 1.91 0.01 4.38 -0.08 -0.57 -4.79 116.55 114.31 1q80 n ASP 138 Ca -0.18 -2.58 0.00 0.00 -1.51 0.00 0.00 54.79 50.52 1q80 n ASP 138 Cb 1.05 -1.34 0.32 0.00 2.34 0.00 0.00 41.12 43.49 1q80 n ASP 138 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1q80 h THR 139 N 5.78 1.19 0.00 5.18 2.02 -1.87 -2.87 112.91 122.33 1q80 h THR 139 Ca 0.19 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1q80 h THR 139 Cb 0.86 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1q80 h THR 139 CO 1.47 0.25 -0.00 -0.55 0.37 0.00 0.00 175.52 177.06 1q80 h ASN 140 N 0.47 0.00 -5.62 4.18 7.08 -1.87 -3.48 115.58 116.35 1q80 h ASN 140 Ca 0.10 0.00 -0.35 0.00 -3.08 0.00 0.00 56.30 52.98 1q80 h ASN 140 Cb 0.31 0.00 0.16 0.00 -2.08 0.00 0.00 38.32 36.70 1q80 h ASN 140 CO 0.01 0.00 -0.72 0.59 -2.08 0.00 0.00 177.43 175.23 1q80 n ASN 141 N -3.10 -3.54 -0.38 6.14 5.03 -1.09 -4.98 115.26 113.35 1q80 n ASN 141 Ca 0.00 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.88 1q80 n ASN 141 Cb 0.30 -4.98 0.00 0.00 -1.02 0.00 0.00 39.78 34.08 1q80 n ASN 141 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1q80 n ASP 142 N -3.02 0.04 0.00 6.41 2.03 -1.26 -5.04 116.55 115.71 1q80 n ASP 142 Ca -0.18 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.34 1q80 n ASP 142 Cb 0.63 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1q80 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q80 n GLY 143 N -0.02 0.39 3.08 0.27 0.00 -1.26 -5.08 105.19 102.56 1q80 n GLY 143 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1q80 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q80 s LEU 144 N 0.00 2.27 -0.26 0.99 2.01 -1.26 -3.75 118.68 118.69 1q80 s LEU 144 Ca 0.00 -0.58 0.03 0.00 0.01 0.00 0.00 54.13 53.58 1q80 s LEU 144 Cb 0.00 -0.18 0.06 0.00 0.01 0.00 0.00 46.19 46.08 1q80 s LEU 144 CO 0.00 -0.21 -0.10 -0.76 1.01 0.00 0.00 176.35 176.29 1q80 s LEU 145 N -1.69 3.29 0.95 1.79 1.43 -0.32 -4.73 118.68 119.40 1q80 s LEU 145 Ca -0.08 -1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.50 1q80 s LEU 145 Cb -0.09 -1.48 0.20 0.00 0.03 0.00 0.00 46.19 44.85 1q80 s LEU 145 CO 0.00 -0.20 1.31 -0.94 0.23 0.00 0.00 176.35 176.75 1q80 s SER 146 N 1.16 3.19 0.14 2.29 1.04 -1.26 -1.14 113.70 119.11 1q80 s SER 146 Ca -0.08 0.25 -0.19 0.00 0.48 0.00 0.00 55.95 56.40 1q80 s SER 146 Cb -0.20 -0.31 -0.00 0.00 0.10 0.00 0.00 66.02 65.61 1q80 s SER 146 CO -0.05 -2.68 1.70 0.25 0.98 0.00 0.00 173.24 173.43 1q80 h LEU 147 N -1.59 -0.22 -0.58 2.42 5.85 -2.01 -2.47 115.31 116.72 1q80 h LEU 147 Ca -0.44 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.45 1q80 h LEU 147 Cb 1.24 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 1q80 h LEU 147 CO 0.39 -0.08 0.17 -0.08 -0.34 0.00 0.00 178.44 178.50 1q80 h GLU 148 N 0.00 0.32 0.06 1.25 4.57 -1.95 0.57 114.58 119.40 1q80 h GLU 148 Ca 0.11 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1q80 h GLU 148 Cb 0.17 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1q80 h GLU 148 CO -0.24 0.21 -0.03 0.93 -1.18 0.00 0.00 179.01 178.69 1q80 h GLU 149 N 0.33 -0.08 -0.83 1.92 3.07 -1.86 -0.91 114.58 116.21 1q80 h GLU 149 Ca 0.30 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 1q80 h GLU 149 Cb 0.39 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 1q80 h GLU 149 CO -0.34 0.05 0.43 0.35 -1.40 0.00 0.00 179.01 178.10 1q80 h PHE 150 N -0.20 1.18 -0.23 4.33 3.04 -1.22 -1.44 116.94 122.40 1q80 h PHE 150 Ca -0.01 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 1q80 h PHE 150 Cb 0.17 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1q80 h PHE 150 CO -0.04 0.84 0.02 -0.24 -2.02 0.00 0.00 178.31 176.87 1q80 h VAL 151 N 1.17 1.24 -0.09 1.41 3.04 -0.82 -1.40 116.25 120.82 1q80 h VAL 151 Ca 0.29 -0.84 -0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1q80 h VAL 151 Cb 0.08 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1q80 h VAL 151 CO -0.04 0.26 0.04 0.40 -1.01 0.00 0.00 177.57 177.22 1q80 h ILE 152 N 0.18 1.13 -0.25 3.17 5.03 -1.14 -1.44 117.51 124.19 1q80 h ILE 152 Ca 0.07 -0.37 0.06 0.00 -0.12 0.00 0.00 64.86 64.50 1q80 h ILE 152 Cb 0.37 1.21 -0.07 0.00 -3.03 0.00 0.00 36.82 35.30 1q80 h ILE 152 CO 0.01 0.11 -0.25 0.00 -0.68 0.00 0.00 178.15 177.34 1q80 h ALA 153 N 0.90 -0.13 -0.35 1.87 0.00 -1.28 -1.54 119.26 118.73 1q80 h ALA 153 Ca 0.03 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1q80 h ALA 153 Cb 0.14 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1q80 h ALA 153 CO -0.00 -0.67 -0.07 0.78 0.00 0.00 0.00 179.25 179.28 1q80 h GLY 154 N -0.25 0.62 0.87 0.00 0.00 -1.25 -1.54 103.07 101.51 1q80 h GLY 154 Ca 0.14 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1q80 h GLY 154 CO -0.39 0.38 0.26 1.48 0.00 0.00 0.00 176.54 178.27 1q80 h SER 155 N 0.54 0.41 0.33 0.19 4.64 -0.73 -0.09 113.55 118.84 1q80 h SER 155 Ca 0.10 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1q80 h SER 155 Cb 0.45 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1q80 h SER 155 CO 0.02 0.29 -0.16 -0.78 -0.87 0.00 0.00 176.83 175.34 1q80 h ASP 156 N 0.52 -0.38 -0.66 4.97 3.58 -1.16 -1.33 116.42 121.96 1q80 h ASP 156 Ca 0.18 -0.05 0.13 0.00 0.42 0.00 0.00 57.03 57.71 1q80 h ASP 156 Cb 0.03 0.10 -0.13 0.00 1.72 0.00 0.00 39.33 41.05 1q80 h ASP 156 CO -0.09 -0.19 -0.23 0.15 -2.88 0.00 0.00 179.24 176.00 1q80 h PHE 157 N -0.55 -0.56 0.20 0.28 3.57 -1.16 -1.42 116.94 117.30 1q80 h PHE 157 Ca -0.05 0.07 -0.31 0.00 3.53 0.00 0.00 57.97 61.21 1q80 h PHE 157 Cb 0.41 0.35 0.02 0.00 2.79 0.00 0.00 35.95 39.52 1q80 h PHE 157 CO -0.03 -0.33 -1.38 0.74 -2.23 0.00 0.00 178.31 175.09 1q80 h PHE 158 N -0.06 0.78 0.00 0.41 0.04 -1.02 -3.44 116.94 113.65 1q80 h PHE 158 Ca 0.30 -0.57 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1q80 h PHE 158 Cb 0.53 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1q80 h PHE 158 CO -0.59 1.44 0.00 0.00 -0.60 0.00 0.00 178.31 178.56 1q80 n MET 159 N -3.64 4.69 -3.20 1.51 0.00 -0.50 -5.02 117.12 110.95 1q80 n MET 159 Ca -0.13 -0.04 -0.40 0.00 0.00 0.00 0.00 57.70 57.12 1q80 n MET 159 Cb 1.07 -0.44 -0.07 0.00 0.00 0.00 0.00 33.22 33.78 1q80 n MET 159 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1q80 s ASN 160 N -0.68 6.51 -0.09 3.17 3.84 -0.54 -4.98 114.94 122.17 1q80 s ASN 160 Ca 0.00 0.62 0.04 0.00 0.21 0.00 0.00 52.86 53.73 1q80 s ASN 160 Cb 0.00 -2.30 0.26 0.00 -0.55 0.00 0.00 41.25 38.66 1q80 s ASN 160 CO 0.00 -0.28 1.00 -0.67 -2.79 0.00 0.00 177.10 174.36 1q80 n ASP 161 N 5.37 2.71 -4.94 -4.21 2.03 -1.26 -4.80 116.55 111.44 1q80 n ASP 161 Ca -0.03 -2.35 -0.25 0.00 0.52 0.00 0.00 54.79 52.67 1q80 n ASP 161 Cb 0.50 -0.57 -0.03 0.00 -0.72 0.00 0.00 41.12 40.30 1q80 n ASP 161 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1q80 s GLY 162 N -0.14 1.61 -0.26 0.27 0.00 -1.26 -4.74 107.32 102.80 1q80 s GLY 162 Ca 0.18 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 1q80 s GLY 162 CO 0.05 -0.97 3.52 1.34 0.00 0.00 0.00 173.10 177.04 1q80 n ASP 163 N -0.87 5.81 -4.74 1.64 2.03 -1.26 -4.96 116.55 114.19 1q80 n ASP 163 Ca -0.06 -2.49 -0.31 0.00 0.52 0.00 0.00 54.79 52.44 1q80 n ASP 163 Cb 0.55 -1.44 0.11 0.00 -0.72 0.00 0.00 41.12 39.62 1q80 n ASP 163 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1q80 s SER 164 N 2.03 4.06 0.00 1.67 0.15 -1.26 -4.95 113.70 115.40 1q80 s SER 164 Ca 0.67 1.93 0.13 0.00 0.70 0.00 0.00 55.95 59.38 1q80 s SER 164 Cb 0.30 -2.53 0.75 0.00 -1.71 0.00 0.00 66.02 62.82 1q80 s SER 164 CO -0.01 -2.33 1.19 1.07 1.20 0.00 0.00 173.24 174.36 1q80 n THR 165 N -3.70 0.00 -0.05 6.45 5.66 -1.26 -3.61 114.28 117.77 1q80 n THR 165 Ca 0.10 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.09 1q80 n THR 165 Cb 0.53 -0.58 -0.01 0.00 -1.55 0.00 0.00 70.33 68.72 1q80 n THR 165 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 1q80 h ASN 166 N 0.00 -0.00 0.00 1.09 -0.73 -1.92 -3.43 115.58 110.59 1q80 h ASN 166 Ca 0.00 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.12 1q80 h ASN 166 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1q80 h ASN 166 CO 0.00 0.52 0.00 2.29 -0.37 0.00 0.00 177.43 179.87 1q80 n LYS 167 N -4.77 0.00 -0.12 6.67 2.85 -1.24 -4.27 118.16 117.28 1q80 n LYS 167 Ca -0.01 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.34 1q80 n LYS 167 Cb 0.03 0.00 0.29 0.00 -0.65 0.00 0.00 35.03 34.69 1q80 n LYS 167 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1q80 n VAL 168 N -0.74 0.33 -0.48 0.58 0.24 -1.26 -4.69 118.33 112.30 1q80 n VAL 168 Ca 0.00 -0.41 0.40 0.00 -2.04 0.00 0.00 64.34 62.29 1q80 n VAL 168 Cb 0.00 0.33 0.68 0.00 -1.47 0.00 0.00 33.84 33.39 1q80 n VAL 168 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1q80 h PHE 169 N 2.22 0.42 -0.01 6.34 3.57 -1.91 -2.22 116.94 125.36 1q80 h PHE 169 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1q80 h PHE 169 Cb 0.50 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1q80 h PHE 169 CO 0.16 -0.18 -0.36 0.91 -2.23 0.00 0.00 178.31 176.61 1q80 n TRP 170 N -4.57 0.00 -0.65 0.41 7.02 -1.26 -5.06 117.44 113.33 1q80 n TRP 170 Ca 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.86 1q80 n TRP 170 Cb 1.54 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 30.43 1q80 n TRP 170 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1q80 n GLY 171 N 1.11 -0.04 3.76 6.99 0.00 -0.84 -4.93 105.19 111.25 1q80 n GLY 171 Ca 0.05 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1q80 n GLY 171 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1q80 s PRO 172 N -1.66 3.64 -0.41 1.61 0.02 -1.26 -4.60 135.00 132.34 1q80 s PRO 172 Ca 0.00 2.15 -0.27 0.00 0.02 0.00 0.00 61.00 62.90 1q80 s PRO 172 Cb 0.00 -2.53 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 1q80 s PRO 172 CO 0.00 -0.76 1.99 -0.51 -0.33 0.00 0.00 177.00 177.39 1q80 s LEU 173 N -2.91 3.42 0.00 -5.54 1.43 -1.26 -4.88 118.68 108.95 1q80 s LEU 173 Ca 0.63 1.10 0.14 0.00 -1.03 0.00 0.00 54.13 54.97 1q80 s LEU 173 Cb -0.38 -3.08 0.83 0.00 0.03 0.00 0.00 46.19 43.60 1q80 s LEU 173 CO 0.47 -2.13 1.26 1.33 0.23 0.00 0.00 176.35 177.50