#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 -0.27 -0.68 6.43 5.19 -2.04 -1.54 116.42 123.51 1q80 h ASP 2 Ca 0.00 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1q80 h ASP 2 Cb 0.00 0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 1q80 h ASP 2 CO 0.00 -0.12 0.36 0.17 -3.12 0.00 0.00 179.24 176.54 1q80 h LEU 3 N 0.12 0.85 -0.30 1.55 -0.00 -1.98 -1.48 115.31 114.07 1q80 h LEU 3 Ca 0.33 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 58.10 1q80 h LEU 3 Cb 0.54 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1q80 h LEU 3 CO -0.54 0.71 0.14 -0.25 -0.00 0.00 0.00 178.44 178.50 1q80 h TRP 4 N 0.93 0.43 -0.39 0.17 7.01 -1.78 -1.29 115.95 121.04 1q80 h TRP 4 Ca 0.24 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.26 1q80 h TRP 4 Cb 0.05 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 1q80 h TRP 4 CO -0.00 0.40 0.15 0.28 -2.79 0.00 0.00 178.44 176.47 1q80 h VAL 5 N 0.34 0.91 -1.01 2.65 2.07 -1.22 -2.57 116.25 117.43 1q80 h VAL 5 Ca 0.10 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1q80 h VAL 5 Cb 0.13 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1q80 h VAL 5 CO -0.01 0.06 0.66 1.56 0.02 0.00 0.00 177.57 179.86 1q80 h GLN 6 N 0.32 1.25 0.31 1.57 4.20 -1.14 -1.39 115.11 120.23 1q80 h GLN 6 Ca 0.17 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1q80 h GLN 6 Cb 0.14 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1q80 h GLN 6 CO -0.16 0.83 -0.24 0.87 -0.67 0.00 0.00 178.83 179.46 1q80 h LYS 7 N 1.29 -0.53 -0.81 1.46 1.57 -0.86 -0.13 116.57 118.55 1q80 h LYS 7 Ca 0.40 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1q80 h LYS 7 Cb -0.02 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1q80 h LYS 7 CO -0.12 -0.35 0.53 0.52 -0.57 0.00 0.00 179.45 179.46 1q80 h MET 8 N -0.55 1.03 -0.86 3.15 2.86 -1.40 -1.64 114.93 117.51 1q80 h MET 8 Ca -0.02 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1q80 h MET 8 Cb 0.48 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 1q80 h MET 8 CO -0.01 0.68 0.55 0.87 1.06 0.00 0.00 176.91 180.06 1q80 h LYS 9 N 1.06 1.03 0.78 1.72 1.79 -1.14 -1.46 116.57 120.34 1q80 h LYS 9 Ca 0.31 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.68 1q80 h LYS 9 Cb -0.05 -0.23 0.01 0.00 -1.58 0.00 0.00 32.23 30.37 1q80 h LYS 9 CO -0.09 0.68 -0.37 1.79 -1.08 0.00 0.00 179.45 180.38 1q80 h THR 10 N 1.06 0.00 -0.60 -0.16 1.35 -0.41 -2.11 112.91 112.05 1q80 h THR 10 Ca 0.35 -0.24 0.08 0.00 -0.55 0.00 0.00 66.41 66.05 1q80 h THR 10 Cb 0.03 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.38 1q80 h THR 10 CO -0.12 0.00 0.25 0.22 -0.25 0.00 0.00 175.52 175.62 1q80 h TYR 11 N -1.28 0.45 0.73 4.73 3.20 -1.30 -0.07 116.97 123.43 1q80 h TYR 11 Ca -0.11 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1q80 h TYR 11 Cb 0.80 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.96 1q80 h TYR 11 CO 0.00 0.15 -0.35 0.35 -1.64 0.00 0.00 178.16 176.67 1q80 h PHE 12 N 0.46 -0.90 -0.02 -3.82 3.57 -1.35 -1.34 116.94 113.54 1q80 h PHE 12 Ca 0.29 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 1q80 h PHE 12 Cb 0.31 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1q80 h PHE 12 CO -0.14 -0.55 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.26 1q80 h ASN 13 N -1.02 0.02 1.63 0.41 -0.26 -1.25 -1.57 115.58 113.54 1q80 h ASN 13 Ca -0.10 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.56 1q80 h ASN 13 Cb 0.76 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.00 1q80 h ASN 13 CO 0.16 0.24 -0.37 0.03 -1.06 0.00 0.00 177.43 176.44 1q80 h ARG 14 N 0.02 0.00 -0.00 0.81 2.47 -0.99 -3.39 114.38 113.30 1q80 h ARG 14 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1q80 h ARG 14 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1q80 h ARG 14 CO 0.03 0.36 -0.70 1.51 0.56 0.00 0.00 179.97 181.72 1q80 n ILE 15 N -3.19 0.00 -1.05 2.04 0.13 -0.51 -4.81 119.36 111.97 1q80 n ILE 15 Ca 0.02 -0.15 -0.34 0.00 -1.10 0.00 0.00 62.75 61.19 1q80 n ILE 15 Cb 0.68 1.04 -0.03 0.00 -0.84 0.00 0.00 39.64 40.49 1q80 n ILE 15 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1q80 n ASP 16 N -1.13 4.22 0.26 9.51 2.03 -0.61 -4.78 116.55 126.05 1q80 n ASP 16 Ca 0.04 -2.54 0.12 0.00 0.52 0.00 0.00 54.79 52.94 1q80 n ASP 16 Cb 0.28 -1.20 0.73 0.00 -0.72 0.00 0.00 41.12 40.21 1q80 n ASP 16 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1q80 h PHE 17 N 6.77 0.00 0.00 -0.67 -1.00 -1.89 -3.13 116.94 117.02 1q80 h PHE 17 Ca 0.51 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.29 1q80 h PHE 17 Cb 0.42 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1q80 h PHE 17 CO 1.62 0.11 0.00 -3.47 -1.61 0.00 0.00 178.31 174.96 1q80 n ASP 18 N -3.74 0.00 0.00 2.17 -0.08 -1.26 -4.87 116.55 108.77 1q80 n ASP 18 Ca -0.02 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1q80 n ASP 18 Cb 0.22 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.38 1q80 n ASP 18 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1q80 n LYS 19 N -1.29 -1.96 0.02 -0.67 2.85 -1.19 -4.83 118.16 111.09 1q80 n LYS 19 Ca 0.07 0.35 0.11 0.00 -1.05 0.00 0.00 58.31 57.79 1q80 n LYS 19 Cb 0.12 -4.28 0.03 0.00 -0.65 0.00 0.00 35.03 30.25 1q80 n LYS 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1q80 n ASP 20 N 0.12 0.63 0.00 -5.58 -0.08 -1.26 -4.99 116.55 105.39 1q80 n ASP 20 Ca 0.00 -0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 1q80 n ASP 20 Cb 0.35 0.77 0.00 0.00 2.34 0.00 0.00 41.12 44.58 1q80 n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q80 n GLY 21 N 1.39 0.37 3.16 0.27 0.00 -1.26 -5.10 105.19 104.02 1q80 n GLY 21 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 2.09 -0.04 4.61 0.00 -1.26 -3.52 121.76 121.64 1q80 s ALA 22 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1q80 s ALA 22 Cb 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1q80 s ALA 22 CO 0.00 0.08 1.26 0.42 0.00 0.00 0.00 175.76 177.51 1q80 s ILE 23 N 0.67 4.11 0.36 0.00 -1.09 -0.49 -4.58 121.20 120.17 1q80 s ILE 23 Ca -0.11 1.45 0.01 0.00 -2.23 0.00 0.00 60.65 59.77 1q80 s ILE 23 Cb -0.16 -3.93 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1q80 s ILE 23 CO 0.02 -0.01 0.44 0.35 -1.23 0.00 0.00 174.94 174.52 1q80 n THR 24 N 4.65 0.00 -0.17 2.92 -2.24 -1.26 -2.33 114.28 115.85 1q80 n THR 24 Ca 0.12 -2.04 0.10 0.00 -2.27 0.00 0.00 64.05 59.96 1q80 n THR 24 Cb 0.45 1.17 0.42 0.00 -2.10 0.00 0.00 70.33 70.27 1q80 n THR 24 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1q80 h ARG 25 N 0.00 0.58 -0.91 -0.78 2.43 -1.95 -2.80 114.38 110.94 1q80 h ARG 25 Ca -0.27 -0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.04 1q80 h ARG 25 Cb 1.23 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.57 1q80 h ARG 25 CO 0.37 0.39 0.59 0.52 -1.51 0.00 0.00 179.97 180.33 1q80 h MET 26 N 0.60 0.60 -0.21 0.20 2.86 -1.98 -1.60 114.93 115.40 1q80 h MET 26 Ca 0.33 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1q80 h MET 26 Cb 0.50 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1q80 h MET 26 CO -0.12 0.40 0.11 -0.44 1.06 0.00 0.00 176.91 177.92 1q80 h ASP 27 N 0.62 0.27 -0.40 1.22 5.19 -1.83 -0.07 116.42 121.42 1q80 h ASP 27 Ca 0.48 -0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 56.66 1q80 h ASP 27 Cb 0.89 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1q80 h ASP 27 CO -0.23 0.30 -0.22 -0.26 -3.12 0.00 0.00 179.24 175.71 1q80 h PHE 28 N 0.22 0.99 -0.20 4.55 0.04 -1.57 0.17 116.94 121.15 1q80 h PHE 28 Ca 0.07 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 1q80 h PHE 28 Cb 0.09 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1q80 h PHE 28 CO -0.03 1.03 0.08 0.93 -0.60 0.00 0.00 178.31 179.72 1q80 h GLU 29 N 0.66 0.29 -0.17 1.51 5.08 -1.32 -1.37 114.58 119.26 1q80 h GLU 29 Ca 0.08 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1q80 h GLU 29 Cb 0.79 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1q80 h GLU 29 CO 0.06 0.35 0.10 0.77 -1.00 0.00 0.00 179.01 179.29 1q80 h SER 30 N 0.17 0.21 -0.65 1.42 0.02 -1.00 -2.65 113.55 111.07 1q80 h SER 30 Ca 0.07 -0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1q80 h SER 30 Cb 0.17 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 1q80 h SER 30 CO -0.01 0.22 0.31 -0.03 -1.14 0.00 0.00 176.83 176.19 1q80 h MET 31 N 0.18 0.54 -0.04 3.45 1.85 -0.65 -1.13 114.93 119.13 1q80 h MET 31 Ca 0.06 -0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1q80 h MET 31 Cb 0.06 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 1q80 h MET 31 CO -0.01 0.36 -0.07 0.00 -0.40 0.00 0.00 176.91 176.79 1q80 h ALA 32 N 1.38 -0.04 0.14 0.39 0.00 -1.04 0.11 119.26 120.20 1q80 h ALA 32 Ca 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1q80 h ALA 32 Cb 0.29 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1q80 h ALA 32 CO -0.24 -0.55 -0.07 1.49 0.00 0.00 0.00 179.25 179.88 1q80 h GLU 33 N -0.10 -0.18 -0.71 0.00 4.22 -1.32 -1.00 114.58 115.49 1q80 h GLU 33 Ca 0.04 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.54 1q80 h GLU 33 Cb 0.16 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1q80 h GLU 33 CO -0.10 -0.01 0.42 0.00 -2.18 0.00 0.00 179.01 177.14 1q80 h ARG 34 N -0.31 0.77 -0.12 1.92 2.47 -1.17 -2.46 114.38 115.47 1q80 h ARG 34 Ca -0.02 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1q80 h ARG 34 Cb 0.25 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1q80 h ARG 34 CO 0.03 0.51 -0.01 0.35 0.56 0.00 0.00 179.97 181.41 1q80 h PHE 35 N 0.79 0.25 -0.59 3.04 3.04 -0.81 -2.55 116.94 120.12 1q80 h PHE 35 Ca 0.31 -0.05 0.17 0.00 3.98 0.00 0.00 57.97 62.38 1q80 h PHE 35 Cb 0.13 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 1q80 h PHE 35 CO -0.06 0.49 0.42 0.00 -2.02 0.00 0.00 178.31 177.14 1q80 h ALA 36 N 0.72 2.53 0.00 2.41 0.00 -0.83 -3.06 119.26 121.04 1q80 h ALA 36 Ca 0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1q80 h ALA 36 Cb 0.40 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1q80 h ALA 36 CO 0.01 -0.70 -1.72 1.63 0.00 0.00 0.00 179.25 178.48 1q80 n LYS 37 N -4.37 2.00 0.25 0.00 4.76 -0.96 -4.64 118.16 115.20 1q80 n LYS 37 Ca 0.11 0.01 0.14 0.00 -2.87 0.00 0.00 58.31 55.69 1q80 n LYS 37 Cb 0.65 -1.27 0.52 0.00 -1.84 0.00 0.00 35.03 33.09 1q80 n LYS 37 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1q80 h GLU 38 N 0.00 0.00 -6.50 1.97 3.07 -1.55 -3.43 114.58 108.14 1q80 h GLU 38 Ca -0.28 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.93 1q80 h GLU 38 Cb 1.61 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 29.38 1q80 h GLU 38 CO 0.01 0.10 -0.72 0.45 -1.40 0.00 0.00 179.01 177.44 1q80 s SER 39 N -5.97 4.46 -0.65 1.42 0.15 -1.16 -5.06 113.70 106.90 1q80 s SER 39 Ca 0.02 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.30 1q80 s SER 39 Cb 0.09 -0.86 0.16 0.00 -1.71 0.00 0.00 66.02 63.69 1q80 s SER 39 CO 0.60 0.15 0.43 -0.70 1.20 0.00 0.00 173.24 174.92 1q80 s GLU 40 N -2.42 2.34 0.83 5.44 2.56 -1.26 -4.72 118.70 121.47 1q80 s GLU 40 Ca 0.23 -3.12 -0.11 0.00 0.00 0.00 0.00 54.97 51.97 1q80 s GLU 40 Cb -0.11 -3.41 0.12 0.00 2.00 0.00 0.00 34.13 32.73 1q80 s GLU 40 CO 0.15 -1.23 1.17 0.00 -0.56 0.00 0.00 175.26 174.79 1q80 s MET 41 N -1.08 1.52 0.04 4.30 0.23 -1.26 -5.03 119.30 118.03 1q80 s MET 41 Ca 0.22 -0.28 -0.30 0.00 -1.03 0.00 0.00 55.69 54.30 1q80 s MET 41 Cb -0.11 -2.00 -0.07 0.00 -1.53 0.00 0.00 34.83 31.11 1q80 s MET 41 CO -0.11 -1.79 1.60 0.21 -2.03 0.00 0.00 175.02 172.90 1q80 s LYS 42 N -5.57 4.21 0.05 3.16 2.20 -1.07 -4.96 119.74 117.77 1q80 s LYS 42 Ca 0.66 2.24 -0.10 0.00 -0.36 0.00 0.00 55.97 58.41 1q80 s LYS 42 Cb -0.08 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 1q80 s LYS 42 CO 0.49 -0.71 1.07 0.00 -0.36 0.00 0.00 175.35 175.84 1q80 n ALA 43 N 5.70 -0.21 0.18 3.13 0.00 -1.26 -1.52 120.51 126.53 1q80 n ALA 43 Ca 0.15 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.93 1q80 n ALA 43 Cb 0.41 0.23 0.28 0.00 0.00 0.00 0.00 19.45 20.37 1q80 n ALA 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1q80 h GLU 44 N 0.00 0.00 -0.60 0.00 4.81 -2.02 -3.47 114.58 113.30 1q80 h GLU 44 Ca 0.05 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.46 1q80 h GLU 44 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1q80 h GLU 44 CO -0.32 0.00 0.49 0.45 -0.73 0.00 0.00 179.01 178.90 1q80 h HIS 45 N 0.00 0.00 -0.96 0.92 3.86 -1.64 -2.55 115.15 114.78 1q80 h HIS 45 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1q80 h HIS 45 Cb 0.91 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.33 1q80 h HIS 45 CO 0.00 0.00 0.63 0.00 0.86 0.00 0.00 177.93 179.42 1q80 h ALA 46 N 1.59 1.35 0.01 2.45 0.00 -1.91 0.09 119.26 122.83 1q80 h ALA 46 Ca 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1q80 h ALA 46 Cb 1.26 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1q80 h ALA 46 CO -0.00 0.58 -0.00 -0.22 0.00 0.00 0.00 179.25 179.60 1q80 h LYS 47 N 1.26 -0.01 -0.59 0.00 3.64 -1.88 -2.59 116.57 116.40 1q80 h LYS 47 Ca 0.37 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.84 1q80 h LYS 47 Cb -0.07 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 1q80 h LYS 47 CO -0.10 0.25 0.20 -0.24 -2.27 0.00 0.00 179.45 177.30 1q80 h VAL 48 N -0.27 0.76 0.02 2.00 3.04 -1.53 -1.16 116.25 119.13 1q80 h VAL 48 Ca -0.00 -0.13 0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1q80 h VAL 48 Cb 0.26 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 29.88 1q80 h VAL 48 CO 0.00 0.07 -0.05 0.25 -1.01 0.00 0.00 177.57 176.83 1q80 h LEU 49 N 0.37 -0.15 -0.47 3.16 5.85 -1.02 -1.20 115.31 121.86 1q80 h LEU 49 Ca 0.30 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1q80 h LEU 49 Cb 0.37 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1q80 h LEU 49 CO -0.31 -0.08 0.27 -0.03 -0.34 0.00 0.00 178.44 177.95 1q80 h MET 50 N -0.11 0.64 0.20 1.25 4.05 -1.23 -1.05 114.93 118.67 1q80 h MET 50 Ca 0.01 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1q80 h MET 50 Cb 0.12 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 1q80 h MET 50 CO -0.04 0.48 -0.53 0.22 0.23 0.00 0.00 176.91 177.27 1q80 h ASP 51 N 0.62 -1.56 -0.26 1.39 1.82 -1.08 -1.46 116.42 115.88 1q80 h ASP 51 Ca 0.17 0.16 -0.18 0.00 -0.39 0.00 0.00 57.03 56.78 1q80 h ASP 51 Cb 0.01 0.57 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1q80 h ASP 51 CO -0.03 -0.58 -0.55 0.28 -1.61 0.00 0.00 179.24 176.75 1q80 h SER 52 N -0.81 0.93 -0.02 2.28 0.02 -1.26 -1.13 113.55 113.57 1q80 h SER 52 Ca -0.02 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1q80 h SER 52 Cb 0.78 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1q80 h SER 52 CO -0.25 1.31 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.67 1q80 h LEU 53 N 0.60 0.03 -0.77 5.07 3.38 -1.26 -2.51 115.31 119.85 1q80 h LEU 53 Ca 0.01 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1q80 h LEU 53 Cb 1.16 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1q80 h LEU 53 CO 0.12 0.43 0.48 0.71 0.09 0.00 0.00 178.44 180.27 1q80 h THR 54 N -0.36 1.21 -0.87 0.22 1.35 -1.34 -2.94 112.91 110.19 1q80 h THR 54 Ca 0.00 -0.44 0.07 0.00 -0.55 0.00 0.00 66.41 65.49 1q80 h THR 54 Cb 0.41 0.11 -0.06 0.00 -1.73 0.00 0.00 68.15 66.89 1q80 h THR 54 CO 0.00 0.22 0.56 1.23 -0.25 0.00 0.00 175.52 177.28 1q80 h GLY 55 N 1.05 1.24 0.50 5.82 0.00 -1.21 -1.60 103.07 108.87 1q80 h GLY 55 Ca 0.28 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.30 1q80 h GLY 55 CO -0.06 0.27 0.17 -2.08 0.00 0.00 0.00 176.54 174.84 1q80 h VAL 56 N 0.95 0.81 0.44 4.60 2.07 -1.26 -1.28 116.25 122.59 1q80 h VAL 56 Ca 0.38 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1q80 h VAL 56 Cb 0.25 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1q80 h VAL 56 CO -0.14 0.06 -0.21 -0.25 0.02 0.00 0.00 177.57 177.05 1q80 h TRP 57 N 0.34 -0.55 -0.71 1.57 2.91 -1.54 -2.26 115.95 115.71 1q80 h TRP 57 Ca 0.24 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.39 1q80 h TRP 57 Cb 0.27 0.18 -0.13 0.00 -0.51 0.00 0.00 29.16 28.97 1q80 h TRP 57 CO -0.17 -0.34 -0.21 -0.44 -1.03 0.00 0.00 178.44 176.25 1q80 h ASP 58 N -1.14 -0.76 0.90 2.65 3.32 -1.21 -1.70 116.42 118.48 1q80 h ASP 58 Ca -0.06 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1q80 h ASP 58 Cb 0.45 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1q80 h ASP 58 CO 0.10 -0.25 -1.09 -3.20 -1.72 0.00 0.00 179.24 173.08 1q80 n ASN 59 N -5.47 0.78 0.02 6.45 5.15 -0.49 -4.67 115.26 117.02 1q80 n ASN 59 Ca 0.09 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1q80 n ASN 59 Cb 0.37 0.58 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 1q80 n ASN 59 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1q80 n PHE 60 N -2.63 -0.23 0.27 1.20 3.72 -1.01 -4.88 117.46 113.90 1q80 n PHE 60 Ca -0.00 0.04 0.11 0.00 -0.05 0.00 0.00 57.45 57.55 1q80 n PHE 60 Cb 0.55 0.19 0.74 0.00 -0.94 0.00 0.00 39.48 40.02 1q80 n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1q80 h LEU 61 N 0.00 0.00 -1.48 4.37 3.38 -1.27 -3.15 115.31 117.16 1q80 h LEU 61 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1q80 h LEU 61 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1q80 h LEU 61 CO 0.00 0.06 0.49 0.74 0.09 0.00 0.00 178.44 179.82 1q80 h THR 62 N 0.00 0.87 0.00 0.22 2.02 -1.58 -2.98 112.91 111.46 1q80 h THR 62 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1q80 h THR 62 Cb 0.13 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1q80 h THR 62 CO 0.01 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.00 1q80 n ALA 63 N -2.49 1.81 0.16 6.16 0.00 -1.19 -0.72 120.51 124.25 1q80 n ALA 63 Ca 0.13 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1q80 n ALA 63 Cb 0.42 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 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 0.48 -0.61 0.00 2.07 -1.76 -3.37 116.25 113.06 1q80 h VAL 64 Ca 0.00 -0.71 -0.44 0.00 0.82 0.00 0.00 66.70 66.37 1q80 h VAL 64 Cb 0.13 0.75 -0.36 0.00 -1.52 0.00 0.00 31.29 30.29 1q80 h VAL 64 CO 0.00 0.10 -0.79 0.00 0.02 0.00 0.00 177.57 176.90 1q80 n ALA 65 N -2.59 4.66 -3.68 1.67 0.00 -1.26 -5.00 120.51 114.31 1q80 n ALA 65 Ca -0.09 -3.65 -0.25 0.00 0.00 0.00 0.00 53.44 49.46 1q80 n ALA 65 Cb 0.27 -0.36 0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.76 -0.51 1.72 0.00 0.00 -1.21 -3.69 105.19 100.74 1q80 n GLY 66 Ca 0.38 0.22 -0.02 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.84 0.75 3.21 -0.02 0.00 0.11 -5.03 105.19 102.37 1q80 n GLY 67 Ca -0.02 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.91 0.75 -0.02 1.61 3.01 -1.24 -5.03 119.74 113.91 1q80 s LYS 68 Ca 0.03 -0.65 -0.02 0.00 -1.01 0.00 0.00 55.97 54.33 1q80 s LYS 68 Cb -0.02 0.32 -0.01 0.00 -1.01 0.00 0.00 37.83 37.11 1q80 s LYS 68 CO 0.04 -0.23 0.08 0.41 0.51 0.00 0.00 175.35 176.17 1q80 n GLY 69 N 0.53 -0.01 3.45 -3.33 0.00 -1.26 -4.64 105.19 99.93 1q80 n GLY 69 Ca -0.18 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 0.23 5.17 0.85 -0.61 -1.09 -0.99 -4.79 121.20 119.98 1q80 s ILE 70 Ca 0.05 -0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 57.66 1q80 s ILE 70 Cb -0.06 -3.88 0.10 0.00 -1.58 0.00 0.00 42.46 37.05 1q80 s ILE 70 CO 0.03 -0.30 1.10 1.51 -1.23 0.00 0.00 174.94 176.05 1q80 s ASP 71 N 1.66 3.95 0.23 3.58 1.47 -1.26 -1.40 116.67 124.90 1q80 s ASP 71 Ca 0.05 1.28 -0.06 0.00 1.18 0.00 0.00 52.55 55.00 1q80 s ASP 71 Cb -0.19 -1.97 0.34 0.00 -0.34 0.00 0.00 42.92 40.76 1q80 s ASP 71 CO 0.10 -2.31 1.82 -0.08 0.68 0.00 0.00 175.17 175.37 1q80 h GLU 72 N -1.32 0.76 0.46 2.11 4.81 -1.99 0.16 114.58 119.57 1q80 h GLU 72 Ca -0.49 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1q80 h GLU 72 Cb 1.29 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1q80 h GLU 72 CO 0.58 0.50 -0.24 1.15 -0.73 0.00 0.00 179.01 180.28 1q80 h THR 73 N 0.79 0.51 -0.74 0.32 2.02 -1.93 -2.55 112.91 111.32 1q80 h THR 73 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.54 1q80 h THR 73 Cb 0.28 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1q80 h THR 73 CO -0.22 0.00 0.44 0.71 0.37 0.00 0.00 175.52 176.83 1q80 h THR 74 N -0.64 1.21 -0.01 3.16 1.35 -1.90 -1.28 112.91 114.79 1q80 h THR 74 Ca -0.06 -0.47 -0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1q80 h THR 74 Cb 0.50 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1q80 h THR 74 CO 0.09 0.22 0.00 0.15 -0.25 0.00 0.00 175.52 175.74 1q80 h PHE 75 N 1.03 0.01 0.03 4.73 3.57 -0.60 0.17 116.94 125.88 1q80 h PHE 75 Ca 0.27 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1q80 h PHE 75 Cb -0.03 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1q80 h PHE 75 CO 0.00 0.11 -0.02 0.82 -2.23 0.00 0.00 178.31 177.00 1q80 h ILE 76 N -0.09 1.17 -0.07 1.41 5.03 -1.34 0.34 117.51 123.96 1q80 h ILE 76 Ca 0.00 -0.63 0.04 0.00 -0.12 0.00 0.00 64.86 64.15 1q80 h ILE 76 Cb 0.11 1.59 -0.04 0.00 -3.03 0.00 0.00 36.82 35.44 1q80 h ILE 76 CO -0.00 0.16 -0.17 -1.13 -0.68 0.00 0.00 178.15 176.33 1q80 h ASN 77 N -0.32 -0.53 -0.22 1.72 -0.73 -1.26 -1.74 115.58 112.51 1q80 h ASN 77 Ca -0.00 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 1q80 h ASN 77 Cb 0.30 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 1q80 h ASN 77 CO 0.01 -0.23 0.02 0.77 -0.37 0.00 0.00 177.43 177.62 1q80 h SER 78 N -0.25 0.36 -0.84 1.15 4.64 -0.72 -3.23 113.55 114.67 1q80 h SER 78 Ca 0.08 -0.29 0.12 0.00 -0.47 0.00 0.00 61.79 61.23 1q80 h SER 78 Cb 0.36 -0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 62.27 1q80 h SER 78 CO -0.22 0.56 0.45 0.24 -0.87 0.00 0.00 176.83 176.99 1q80 h MET 79 N 0.15 0.67 -0.68 4.77 2.86 -0.79 -0.85 114.93 121.05 1q80 h MET 79 Ca 0.06 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 1q80 h MET 79 Cb 0.36 -0.15 -0.10 0.00 0.06 0.00 0.00 31.60 31.77 1q80 h MET 79 CO 0.01 0.44 0.14 -0.22 1.06 0.00 0.00 176.91 178.34 1q80 h LYS 80 N 0.69 0.24 0.04 1.72 3.11 -1.33 -2.09 116.57 118.95 1q80 h LYS 80 Ca 0.43 -0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 58.03 1q80 h LYS 80 Cb 0.53 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1q80 h LYS 80 CO -0.31 0.16 -1.08 0.93 -2.81 0.00 0.00 179.45 176.34 1q80 h GLU 81 N 0.24 0.08 -1.00 1.90 3.07 -1.55 -3.28 114.58 114.05 1q80 h GLU 81 Ca 0.37 -0.14 0.08 0.00 -0.50 0.00 0.00 59.36 59.17 1q80 h GLU 81 Cb 0.61 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.50 1q80 h GLU 81 CO -0.48 1.07 0.64 0.52 -1.40 0.00 0.00 179.01 179.35 1q80 h MET 82 N 0.02 1.07 0.00 2.33 2.86 -0.52 -0.96 114.93 119.74 1q80 h MET 82 Ca -0.05 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1q80 h MET 82 Cb 1.83 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 33.25 1q80 h MET 82 CO 0.15 0.71 -0.35 -0.39 1.06 0.00 0.00 176.91 178.09 1q80 h VAL 83 N 1.10 0.06 0.07 -2.22 -1.51 -1.56 -2.24 116.25 109.95 1q80 h VAL 83 Ca 0.45 -1.09 -0.22 0.00 -1.23 0.00 0.00 66.70 64.61 1q80 h VAL 83 Cb 0.28 1.88 0.02 0.00 -2.13 0.00 0.00 31.29 31.33 1q80 h VAL 83 CO -0.21 0.03 -0.90 0.11 -1.23 0.00 0.00 177.57 175.38 1q80 h LYS 84 N 0.00 0.49 -6.16 5.19 1.79 -1.24 -3.42 116.57 113.23 1q80 h LYS 84 Ca -0.00 -0.62 -0.56 0.00 -2.18 0.00 0.00 60.65 57.29 1q80 h LYS 84 Cb 1.03 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 31.84 1q80 h LYS 84 CO 0.00 1.25 0.36 1.21 -1.08 0.00 0.00 179.45 181.19 1q80 s ASN 85 N -7.07 7.14 0.60 0.86 3.84 -1.05 -4.99 114.94 114.28 1q80 s ASN 85 Ca -0.12 1.39 0.30 0.00 0.21 0.00 0.00 52.86 54.65 1q80 s ASN 85 Cb 0.04 -2.50 1.76 0.00 -0.55 0.00 0.00 41.25 40.00 1q80 s ASN 85 CO 0.87 -0.31 2.14 1.55 -2.79 0.00 0.00 177.10 178.57 1q80 h PRO 86 N 7.00 0.00 -0.60 0.43 0.13 -1.93 -2.86 132.00 134.17 1q80 h PRO 86 Ca -0.36 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 1q80 h PRO 86 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1q80 h PRO 86 CO 0.80 0.00 0.06 0.93 -0.23 0.00 0.00 178.00 179.56 1q80 h GLU 87 N 0.00 1.02 0.00 0.86 5.08 -1.95 -3.37 114.58 116.21 1q80 h GLU 87 Ca 0.06 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 57.98 1q80 h GLU 87 Cb 0.37 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1q80 h GLU 87 CO -0.00 0.97 -1.55 0.00 -1.00 0.00 0.00 179.01 177.44 1q80 n ALA 88 N -2.45 2.10 -0.35 3.43 0.00 -1.09 -4.61 120.51 117.55 1q80 n ALA 88 Ca 0.03 -0.58 0.25 0.00 0.00 0.00 0.00 53.44 53.14 1q80 n ALA 88 Cb 0.30 -0.86 0.53 0.00 0.00 0.00 0.00 19.45 19.42 1q80 n ALA 88 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1q80 h LYS 89 N 0.00 0.33 -0.15 0.00 5.09 -1.37 -2.16 116.57 118.31 1q80 h LYS 89 Ca -0.16 -0.02 0.04 0.00 0.09 0.00 0.00 60.65 60.60 1q80 h LYS 89 Cb 1.48 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.73 1q80 h LYS 89 CO 0.03 0.22 0.13 0.66 -2.09 0.00 0.00 179.45 178.40 1q80 h SER 90 N 0.34 0.00 1.51 7.07 4.64 -1.83 -1.71 113.55 123.57 1q80 h SER 90 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1q80 h SER 90 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1q80 h SER 90 CO -0.35 0.00 0.00 -0.37 -0.87 0.00 0.00 176.83 175.24 1q80 h VAL 91 N 0.00 0.00 0.23 0.95 -1.51 -1.72 -1.58 116.25 112.62 1q80 h VAL 91 Ca 0.07 -0.75 -0.32 0.00 -1.23 0.00 0.00 66.70 64.46 1q80 h VAL 91 Cb 0.34 1.75 0.03 0.00 -2.13 0.00 0.00 31.29 31.28 1q80 h VAL 91 CO -0.00 0.00 -1.43 -0.37 -1.23 0.00 0.00 177.57 174.54 1q80 h VAL 92 N 0.00 1.33 -0.01 7.19 -1.51 -1.48 -3.38 116.25 118.38 1q80 h VAL 92 Ca 0.00 -2.77 -0.03 0.00 -1.23 0.00 0.00 66.70 62.67 1q80 h VAL 92 Cb 0.76 3.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 1q80 h VAL 92 CO 0.00 0.83 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.73 1q80 h GLU 93 N 0.14 0.10 -1.00 5.19 5.08 -1.50 -3.39 114.58 119.20 1q80 h GLU 93 Ca -0.23 -0.09 0.42 0.00 -1.00 0.00 0.00 59.36 58.46 1q80 h GLU 93 Cb 2.12 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 31.21 1q80 h GLU 93 CO 0.26 0.78 0.52 0.41 -1.00 0.00 0.00 179.01 179.98 1q80 n GLY 94 N 0.82 -0.77 0.27 -3.84 0.00 -0.60 -1.80 105.19 99.27 1q80 n GLY 94 Ca -0.09 0.81 0.11 0.00 0.00 0.00 0.00 46.02 46.85 1q80 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q80 h PRO 95 N 0.00 0.00 0.07 1.61 0.11 -1.76 -3.32 132.00 128.71 1q80 h PRO 95 Ca 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.95 1q80 h PRO 95 Cb 2.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.33 1q80 h PRO 95 CO -0.77 0.04 -0.03 -0.07 -0.21 0.00 0.00 178.00 176.95 1q80 h LEU 96 N 0.00 -0.08 -0.99 2.35 -0.00 -1.64 -0.90 115.31 114.06 1q80 h LEU 96 Ca -0.00 -0.16 0.20 0.00 -0.00 0.00 0.00 57.88 57.93 1q80 h LEU 96 Cb 0.07 0.02 -0.11 0.00 -0.00 0.00 0.00 40.66 40.64 1q80 h LEU 96 CO 0.00 0.11 0.59 -0.65 -0.00 0.00 0.00 178.44 178.49 1q80 h PRO 97 N -0.27 0.67 0.07 1.13 0.11 -1.78 -1.54 132.00 130.40 1q80 h PRO 97 Ca -0.01 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.90 1q80 h PRO 97 Cb 0.23 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.21 1q80 h PRO 97 CO 0.02 0.44 -0.66 -0.07 -0.21 0.00 0.00 178.00 177.52 1q80 h LEU 98 N 0.69 0.46 -1.42 2.35 4.07 -1.71 -3.31 115.31 116.43 1q80 h LEU 98 Ca 0.59 -0.87 0.14 0.00 0.08 0.00 0.00 57.88 57.82 1q80 h LEU 98 Cb 0.98 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.51 1q80 h LEU 98 CO -0.41 1.28 0.54 -0.26 -1.08 0.00 0.00 178.44 178.51 1q80 h PHE 99 N -0.31 0.67 -0.50 1.13 0.04 -0.89 -2.98 116.94 114.10 1q80 h PHE 99 Ca -0.10 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.79 1q80 h PHE 99 Cb 1.45 -0.21 -0.09 0.00 2.20 0.00 0.00 35.95 39.30 1q80 h PHE 99 CO 0.18 0.25 -0.08 0.35 -0.60 0.00 0.00 178.31 178.41 1q80 h PHE 100 N 0.57 -0.19 -0.29 -0.55 3.57 -1.37 -1.51 116.94 117.17 1q80 h PHE 100 Ca 0.41 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.81 1q80 h PHE 100 Cb 0.76 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1q80 h PHE 100 CO -0.00 -0.19 -0.39 -0.09 -2.23 0.00 0.00 178.31 175.41 1q80 h ARG 101 N 0.03 0.67 -0.78 1.11 1.12 -1.67 -3.06 114.38 111.80 1q80 h ARG 101 Ca 0.25 -0.34 0.01 0.00 -1.11 0.00 0.00 59.98 58.78 1q80 h ARG 101 Cb 0.38 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.30 1q80 h ARG 101 CO -0.48 0.95 0.51 0.00 -3.11 0.00 0.00 179.97 177.83 1q80 h ALA 102 N 1.01 1.42 0.00 2.80 0.00 -1.43 -2.99 119.26 120.07 1q80 h ALA 102 Ca 0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1q80 h ALA 102 Cb 0.92 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1q80 h ALA 102 CO 0.08 0.53 -0.49 0.28 0.00 0.00 0.00 179.25 179.64 1q80 h VAL 103 N 1.07 1.18 0.00 0.00 2.07 -1.28 -3.40 116.25 115.89 1q80 h VAL 103 Ca 0.29 -1.80 -0.14 0.00 0.82 0.00 0.00 66.70 65.86 1q80 h VAL 103 Cb -0.11 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1q80 h VAL 103 CO -0.06 0.48 1.15 -0.67 0.02 0.00 0.00 177.57 178.49 1q80 n ASP 104 N -3.70 2.26 0.31 0.57 2.03 -1.13 -4.75 116.55 112.13 1q80 n ASP 104 Ca -0.01 -2.01 0.18 0.00 0.52 0.00 0.00 54.79 53.47 1q80 n ASP 104 Cb 0.56 -0.66 0.94 0.00 -0.72 0.00 0.00 41.12 41.24 1q80 n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q80 h THR 105 N 3.24 0.09 0.00 5.18 1.03 -1.84 -1.92 112.91 118.69 1q80 h THR 105 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.58 1q80 h THR 105 Cb 0.26 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 68.14 1q80 h THR 105 CO 0.87 0.00 -0.72 -0.46 -0.01 0.00 0.00 175.52 175.20 1q80 n ASN 106 N -3.13 0.61 0.00 0.00 6.94 -1.26 -2.61 115.26 115.82 1q80 n ASN 106 Ca -0.01 -0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.33 1q80 n ASN 106 Cb 0.29 0.45 0.00 0.00 -2.36 0.00 0.00 39.78 38.16 1q80 n ASN 106 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1q80 n GLU 107 N -1.77 0.00 0.05 -3.83 0.28 -0.72 -4.95 120.64 109.70 1q80 n GLU 107 Ca 0.04 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.17 1q80 n GLU 107 Cb 0.39 -2.99 0.39 0.00 1.43 0.00 0.00 31.44 30.66 1q80 n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1q80 n ASP 108 N 0.01 0.50 0.00 -1.84 5.68 -1.26 -4.96 116.55 114.67 1q80 n ASP 108 Ca 0.00 0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 1q80 n ASP 108 Cb 0.00 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1q80 n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1q80 n ASN 109 N -1.88 -3.00 -3.83 -1.12 5.15 -1.26 -5.06 115.26 104.26 1q80 n ASN 109 Ca 0.05 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.91 1q80 n ASN 109 Cb 0.39 -0.50 -0.11 0.00 -0.53 0.00 0.00 39.78 39.03 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1q80 s ASN 110 N -3.00 -0.12 -0.30 1.20 0.01 -1.26 -4.65 114.94 106.83 1q80 s ASN 110 Ca 0.00 0.14 -0.12 0.00 -0.71 0.00 0.00 52.86 52.18 1q80 s ASN 110 Cb 0.00 0.32 -0.04 0.00 0.41 0.00 0.00 41.25 41.94 1q80 s ASN 110 CO 0.00 -0.21 0.21 -0.63 -1.51 0.00 0.00 177.10 174.95 1q80 s ILE 111 N -0.58 5.30 0.56 0.60 1.01 -0.22 -4.82 121.20 123.06 1q80 s ILE 111 Ca -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 1q80 s ILE 111 Cb -0.04 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.87 1q80 s ILE 111 CO 0.01 0.18 0.82 -0.94 0.00 0.00 0.00 174.94 175.02 1q80 s SER 112 N 1.75 5.40 0.37 3.58 1.04 -1.26 -0.57 113.70 124.01 1q80 s SER 112 Ca 0.07 0.33 0.11 0.00 0.48 0.00 0.00 55.95 56.94 1q80 s SER 112 Cb -0.16 -1.28 0.89 0.00 0.10 0.00 0.00 66.02 65.56 1q80 s SER 112 CO 0.11 -1.10 1.86 0.08 0.98 0.00 0.00 173.24 175.17 1q80 h ARG 113 N -0.04 0.60 -0.20 4.02 -0.00 -1.99 -1.49 114.38 115.28 1q80 h ARG 113 Ca -0.44 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.98 59.40 1q80 h ARG 113 Cb 1.28 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.97 31.11 1q80 h ARG 113 CO 0.57 0.40 -0.28 -0.44 -0.00 0.00 0.00 179.97 180.22 1q80 h ASP 114 N 0.62 0.59 -0.23 0.08 3.32 -1.96 -1.03 116.42 117.81 1q80 h ASP 114 Ca 0.46 -0.51 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1q80 h ASP 114 Cb 0.85 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1q80 h ASP 114 CO -0.21 0.99 0.14 -0.33 -1.72 0.00 0.00 179.24 178.10 1q80 h GLU 115 N 0.21 0.28 -0.56 3.56 3.07 -1.75 0.17 114.58 119.57 1q80 h GLU 115 Ca 0.02 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1q80 h GLU 115 Cb 0.85 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1q80 h GLU 115 CO 0.07 0.18 0.23 -0.92 -1.40 0.00 0.00 179.01 177.17 1q80 h TYR 116 N 0.28 0.84 -0.59 4.33 3.20 -1.37 -1.60 116.97 122.06 1q80 h TYR 116 Ca 0.09 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1q80 h TYR 116 Cb -0.01 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 1q80 h TYR 116 CO -0.07 0.67 0.23 0.78 -1.64 0.00 0.00 178.16 178.13 1q80 h GLY 117 N 0.76 0.94 0.92 1.82 0.00 -0.92 -1.47 103.07 105.13 1q80 h GLY 117 Ca 0.19 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1q80 h GLY 117 CO -0.02 0.49 0.04 -2.22 0.00 0.00 0.00 176.54 174.83 1q80 h ILE 118 N 0.81 1.24 -0.50 2.60 5.03 -0.64 -0.63 117.51 125.43 1q80 h ILE 118 Ca 0.20 -0.88 0.09 0.00 -0.12 0.00 0.00 64.86 64.14 1q80 h ILE 118 Cb 0.21 1.11 -0.07 0.00 -3.03 0.00 0.00 36.82 35.03 1q80 h ILE 118 CO -0.02 0.30 0.07 0.15 -0.68 0.00 0.00 178.15 177.97 1q80 h PHE 119 N 0.45 0.11 0.17 1.37 3.57 -1.21 -1.30 116.94 120.10 1q80 h PHE 119 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1q80 h PHE 119 Cb 0.39 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1q80 h PHE 119 CO 0.03 -0.04 -0.10 0.74 -2.23 0.00 0.00 178.31 176.71 1q80 h PHE 120 N 0.20 -0.25 -0.73 0.41 -1.00 -1.14 -2.46 116.94 111.98 1q80 h PHE 120 Ca 0.25 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.14 1q80 h PHE 120 Cb 0.35 0.09 -0.08 0.00 3.61 0.00 0.00 35.95 39.92 1q80 h PHE 120 CO -0.25 -0.15 0.33 0.78 -1.61 0.00 0.00 178.31 177.41 1q80 h GLY 121 N -0.25 1.09 1.12 -1.45 0.00 -0.81 -2.49 103.07 100.28 1q80 h GLY 121 Ca -0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1q80 h GLY 121 CO 0.02 -0.00 0.27 -0.33 0.00 0.00 0.00 176.54 176.50 1q80 h MET 122 N 0.54 1.11 0.00 4.80 2.86 -1.16 -2.68 114.93 120.40 1q80 h MET 122 Ca 0.37 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1q80 h MET 122 Cb 0.47 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1q80 h MET 122 CO -0.32 0.92 0.00 1.28 1.06 0.00 0.00 176.91 179.85 1q80 n LEU 123 N -4.27 0.00 -0.29 1.22 4.77 -0.93 -4.88 117.00 112.62 1q80 n LEU 123 Ca 0.06 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1q80 n LEU 123 Cb 0.20 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1q80 n LEU 123 CO 0.41 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1q80 n GLY 124 N -0.07 0.95 3.55 -0.72 0.00 -1.01 -4.79 105.19 103.10 1q80 n GLY 124 Ca 0.10 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1q80 n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q80 s LEU 125 N -0.57 2.21 -0.13 0.99 1.02 -0.97 -5.03 118.68 116.20 1q80 s LEU 125 Ca 0.00 -1.54 -0.21 0.00 0.02 0.00 0.00 54.13 52.40 1q80 s LEU 125 Cb 0.00 -0.41 -0.03 0.00 0.02 0.00 0.00 46.19 45.77 1q80 s LEU 125 CO 0.00 -0.76 0.61 -0.62 0.02 0.00 0.00 176.35 175.60 1q80 s ASP 126 N -3.63 6.79 0.28 2.29 -1.08 -1.26 -4.05 116.67 116.01 1q80 s ASP 126 Ca 0.26 0.95 0.01 0.00 -0.52 0.00 0.00 52.55 53.25 1q80 s ASP 126 Cb 0.05 -2.35 0.58 0.00 -1.46 0.00 0.00 42.92 39.74 1q80 s ASP 126 CO 0.13 -0.14 1.81 0.50 0.52 0.00 0.00 175.17 177.99 1q80 h LYS 127 N 7.00 0.83 0.00 4.34 3.11 -1.92 -1.60 116.57 128.34 1q80 h LYS 127 Ca -0.38 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1q80 h LYS 127 Cb 1.17 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1q80 h LYS 127 CO 0.76 0.55 0.00 1.79 -2.81 0.00 0.00 179.45 179.74 1q80 h THR 128 N 0.86 0.00 -0.00 1.00 1.35 -1.94 -2.57 112.91 111.61 1q80 h THR 128 Ca 0.50 -0.03 -0.16 0.00 -0.55 0.00 0.00 66.41 66.18 1q80 h THR 128 Cb 0.60 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 1q80 h THR 128 CO -0.31 0.00 -0.73 -0.03 -0.25 0.00 0.00 175.52 174.20 1q80 h MET 129 N 0.00 0.03 -0.41 4.72 1.85 -1.71 -3.38 114.93 116.03 1q80 h MET 129 Ca 0.00 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 59.11 1q80 h MET 129 Cb 0.04 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.03 1q80 h MET 129 CO 0.00 0.74 0.15 0.00 -0.40 0.00 0.00 176.91 177.41 1q80 h ALA 130 N 1.25 0.49 -0.93 0.39 0.00 -1.61 -3.22 119.26 115.63 1q80 h ALA 130 Ca -0.01 0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.19 1q80 h ALA 130 Cb 1.29 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 1q80 h ALA 130 CO 0.10 -0.24 0.44 -1.35 0.00 0.00 0.00 179.25 178.20 1q80 h PRO 131 N 0.32 0.38 -0.38 0.00 0.11 -1.78 -0.06 132.00 130.59 1q80 h PRO 131 Ca 0.19 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1q80 h PRO 131 Cb 0.17 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1q80 h PRO 131 CO -0.19 0.25 0.23 0.00 -0.21 0.00 0.00 178.00 178.08 1q80 h ALA 132 N 1.75 0.48 -0.31 -0.75 0.00 -1.82 -1.48 119.26 117.14 1q80 h ALA 132 Ca 0.61 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.29 1q80 h ALA 132 Cb 1.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1q80 h ALA 132 CO -0.55 -0.03 -0.50 0.77 0.00 0.00 0.00 179.25 178.93 1q80 h SER 133 N 0.50 0.97 -0.11 0.00 0.02 -1.55 -3.32 113.55 110.06 1q80 h SER 133 Ca 0.14 -0.52 0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1q80 h SER 133 Cb -0.01 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1q80 h SER 133 CO -0.03 1.30 -0.12 0.15 -1.14 0.00 0.00 176.83 177.00 1q80 h PHE 134 N 0.67 -0.31 -0.93 3.45 3.04 -0.92 -2.99 116.94 118.95 1q80 h PHE 134 Ca 0.02 0.02 0.18 0.00 3.98 0.00 0.00 57.97 62.17 1q80 h PHE 134 Cb 1.11 0.15 -0.10 0.00 2.56 0.00 0.00 35.95 39.67 1q80 h PHE 134 CO 0.07 -0.18 0.52 0.22 -2.02 0.00 0.00 178.31 176.92 1q80 h ASP 135 N -0.15 0.63 0.42 0.41 3.58 -1.38 -1.34 116.42 118.59 1q80 h ASP 135 Ca 0.08 0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.56 1q80 h ASP 135 Cb 0.27 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1q80 h ASP 135 CO -0.20 0.22 -0.38 0.00 -2.88 0.00 0.00 179.24 175.99 1q80 h ALA 136 N 1.62 1.32 0.03 -0.78 0.00 -1.62 -3.31 119.26 116.53 1q80 h ALA 136 Ca 0.53 -0.35 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 1q80 h ALA 136 Cb 0.83 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1q80 h ALA 136 CO -0.40 0.48 -1.64 0.82 0.00 0.00 0.00 179.25 178.51 1q80 h ILE 137 N 0.00 0.95 -0.11 0.00 2.04 -1.28 -3.43 117.51 115.69 1q80 h ILE 137 Ca -0.00 -2.75 -0.51 0.00 1.00 0.00 0.00 64.86 62.59 1q80 h ILE 137 Cb 0.69 2.52 0.05 0.00 -0.74 0.00 0.00 36.82 39.35 1q80 h ILE 137 CO 0.05 0.64 1.62 -0.67 0.00 0.00 0.00 178.15 179.79 1q80 n ASP 138 N -3.19 2.17 0.15 1.72 2.03 -0.58 -4.79 116.55 114.06 1q80 n ASP 138 Ca -0.17 -2.62 0.12 0.00 0.52 0.00 0.00 54.79 52.64 1q80 n ASP 138 Cb 1.04 -1.15 0.52 0.00 -0.72 0.00 0.00 41.12 40.80 1q80 n ASP 138 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1q80 h THR 139 N 5.15 0.00 0.00 5.18 1.35 -1.88 -3.05 112.91 119.66 1q80 h THR 139 Ca 0.30 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1q80 h THR 139 Cb 0.76 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1q80 h THR 139 CO 1.74 0.00 -0.53 -0.55 -0.25 0.00 0.00 175.52 175.93 1q80 h ASN 140 N 0.00 0.00 0.00 5.36 7.08 -1.88 -3.49 115.58 122.65 1q80 h ASN 140 Ca 0.00 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 1q80 h ASN 140 Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.61 1q80 h ASN 140 CO 0.00 0.01 0.00 -3.20 -2.08 0.00 0.00 177.43 172.16 1q80 n ASN 141 N -2.73 -4.04 -1.11 6.14 2.85 -1.15 -4.95 115.26 110.26 1q80 n ASN 141 Ca 0.02 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.59 1q80 n ASN 141 Cb 0.52 -1.57 0.27 0.00 1.24 0.00 0.00 39.78 40.24 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1q80 n ASP 142 N -0.36 3.61 0.00 1.20 8.00 -1.26 -5.00 116.55 122.74 1q80 n ASP 142 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1q80 n ASP 142 Cb 0.18 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 1q80 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q80 n GLY 143 N 1.27 0.41 2.86 0.44 0.00 -1.26 -5.08 105.19 103.83 1q80 n GLY 143 Ca 0.20 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 1q80 n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q80 s LEU 144 N 0.00 1.39 -0.31 0.99 2.96 -1.26 -4.27 118.68 118.18 1q80 s LEU 144 Ca 0.00 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.73 1q80 s LEU 144 Cb 0.00 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 1q80 s LEU 144 CO 0.00 -0.06 0.22 -0.76 -1.32 0.00 0.00 176.35 174.44 1q80 s LEU 145 N 0.75 4.30 0.93 -0.68 1.43 0.26 -4.84 118.68 120.84 1q80 s LEU 145 Ca -0.08 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 1q80 s LEU 145 Cb -0.11 -2.14 0.17 0.00 0.03 0.00 0.00 46.19 44.14 1q80 s LEU 145 CO -0.01 -0.16 1.28 -0.94 0.23 0.00 0.00 176.35 176.76 1q80 s SER 146 N 1.74 3.41 0.15 2.29 1.04 -1.26 -1.05 113.70 120.02 1q80 s SER 146 Ca 0.07 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.75 1q80 s SER 146 Cb -0.17 -0.58 0.04 0.00 0.10 0.00 0.00 66.02 65.42 1q80 s SER 146 CO 0.11 -2.56 1.77 0.25 0.98 0.00 0.00 173.24 173.78 1q80 h LEU 147 N -1.52 0.23 -0.37 2.42 5.85 -1.99 -2.55 115.31 117.37 1q80 h LEU 147 Ca -0.45 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1q80 h LEU 147 Cb 1.26 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1q80 h LEU 147 CO 0.45 0.17 0.12 -0.08 -0.34 0.00 0.00 178.44 178.76 1q80 h GLU 148 N 0.34 0.25 0.08 1.25 4.81 -1.99 -1.67 114.58 117.64 1q80 h GLU 148 Ca 0.15 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1q80 h GLU 148 Cb 0.08 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1q80 h GLU 148 CO -0.12 0.17 -0.04 0.93 -0.73 0.00 0.00 179.01 179.22 1q80 h GLU 149 N 0.26 -0.10 0.38 1.92 5.08 -1.87 -1.01 114.58 119.25 1q80 h GLU 149 Ca 0.17 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1q80 h GLU 149 Cb 0.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1q80 h GLU 149 CO -0.19 -0.04 -0.29 0.35 -1.00 0.00 0.00 179.01 177.84 1q80 h PHE 150 N -0.13 -0.76 -0.76 4.33 3.57 -1.36 -1.76 116.94 120.06 1q80 h PHE 150 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1q80 h PHE 150 Cb 0.11 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1q80 h PHE 150 CO -0.06 -0.43 0.31 -0.39 -2.23 0.00 0.00 178.31 175.50 1q80 h VAL 151 N -0.67 1.25 0.25 1.41 -1.51 -1.32 -1.58 116.25 114.08 1q80 h VAL 151 Ca -0.03 -0.79 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 1q80 h VAL 151 Cb 0.57 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1q80 h VAL 151 CO -0.00 0.32 -0.12 0.40 -1.23 0.00 0.00 177.57 176.94 1q80 h ILE 152 N 1.10 0.80 -0.92 7.19 5.03 -1.14 -1.27 117.51 128.30 1q80 h ILE 152 Ca 0.25 -0.38 0.05 0.00 -0.12 0.00 0.00 64.86 64.66 1q80 h ILE 152 Cb 0.20 1.02 -0.06 0.00 -3.03 0.00 0.00 36.82 34.95 1q80 h ILE 152 CO -0.02 0.08 0.59 0.00 -0.68 0.00 0.00 178.15 178.12 1q80 h ALA 153 N 0.16 1.24 -0.38 1.87 0.00 -1.29 -1.76 119.26 119.09 1q80 h ALA 153 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1q80 h ALA 153 Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1q80 h ALA 153 CO 0.06 0.41 0.06 0.78 0.00 0.00 0.00 179.25 180.55 1q80 h GLY 154 N 1.11 0.69 0.78 0.00 0.00 -1.28 -1.09 103.07 103.28 1q80 h GLY 154 Ca 0.38 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1q80 h GLY 154 CO -0.14 0.43 -0.06 0.23 0.00 0.00 0.00 176.54 176.99 1q80 h SER 155 N 0.48 -0.19 -0.96 0.19 0.87 -1.06 -1.95 113.55 110.92 1q80 h SER 155 Ca 0.12 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1q80 h SER 155 Cb 0.38 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 1q80 h SER 155 CO 0.01 -0.09 0.62 -0.78 -0.53 0.00 0.00 176.83 176.06 1q80 h ASP 156 N -0.09 1.12 0.11 6.23 3.58 -1.34 -1.62 116.42 124.42 1q80 h ASP 156 Ca 0.04 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1q80 h ASP 156 Cb 0.15 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 1q80 h ASP 156 CO -0.10 0.83 -0.31 0.15 -2.88 0.00 0.00 179.24 176.93 1q80 h PHE 157 N 1.31 -0.84 -0.09 0.28 3.04 -0.91 -1.07 116.94 118.67 1q80 h PHE 157 Ca 0.35 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.30 1q80 h PHE 157 Cb -0.13 0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 1q80 h PHE 157 CO 0.00 -0.41 -0.03 0.74 -2.02 0.00 0.00 178.31 176.58 1q80 h PHE 158 N -0.52 0.20 0.16 0.41 0.04 -1.23 -3.37 116.94 112.61 1q80 h PHE 158 Ca 0.03 -0.05 -0.29 0.00 2.80 0.00 0.00 57.97 60.47 1q80 h PHE 158 Cb 0.56 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.67 1q80 h PHE 158 CO -0.28 0.52 -1.30 0.00 -0.60 0.00 0.00 178.31 176.65 1q80 h MET 159 N -0.18 0.33 0.00 1.51 -0.00 -1.34 -3.48 114.93 111.76 1q80 h MET 159 Ca 0.02 -0.56 -0.36 0.00 -0.00 0.00 0.00 59.70 58.79 1q80 h MET 159 Cb 0.47 0.21 0.03 0.00 -0.00 0.00 0.00 31.60 32.31 1q80 h MET 159 CO 0.01 1.27 -0.02 -1.71 -0.00 0.00 0.00 176.91 176.46 1q80 n ASN 160 N -3.57 1.47 0.02 -0.10 2.85 -0.41 -5.08 115.26 110.44 1q80 n ASN 160 Ca -0.10 -2.10 0.00 0.00 -0.11 0.00 0.00 54.58 52.27 1q80 n ASN 160 Cb 1.04 -0.36 0.00 0.00 1.24 0.00 0.00 39.78 41.71 1q80 n ASN 160 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1q80 n ASP 161 N -2.59 0.05 0.00 1.20 5.75 -1.26 -4.81 116.55 114.89 1q80 n ASP 161 Ca 0.12 0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1q80 n ASP 161 Cb 0.45 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1q80 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q80 n GLY 162 N 2.25 1.65 2.05 6.12 0.00 -1.26 -4.86 105.19 111.13 1q80 n GLY 162 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1q80 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q80 n ASP 163 N -1.59 -0.82 -4.56 1.61 2.03 -1.26 -5.09 116.55 106.87 1q80 n ASP 163 Ca 0.00 0.18 -0.20 0.00 0.52 0.00 0.00 54.79 55.29 1q80 n ASP 163 Cb 0.00 1.16 -0.06 0.00 -0.72 0.00 0.00 41.12 41.50 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 -2.07 4.45 0.42 1.67 0.15 -1.26 -4.84 113.70 112.22 1q80 s SER 164 Ca 0.00 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1q80 s SER 164 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1q80 s SER 164 CO 0.00 -3.37 0.00 1.07 1.20 0.00 0.00 173.24 172.14 1q80 n THR 165 N 8.38 -0.38 -0.75 6.45 5.66 -1.26 -4.88 114.28 127.49 1q80 n THR 165 Ca 0.44 0.56 0.00 0.00 -3.05 0.00 0.00 64.05 61.99 1q80 n THR 165 Cb 0.45 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 1q80 n THR 165 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1q80 n ASN 166 N -4.15 -2.28 0.10 1.09 6.94 -1.26 -4.84 115.26 110.86 1q80 n ASN 166 Ca -0.05 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.64 1q80 n ASN 166 Cb 0.58 -2.48 0.42 0.00 -2.36 0.00 0.00 39.78 35.94 1q80 n ASN 166 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1q80 n LYS 167 N -1.02 0.25 -3.48 -3.83 2.85 -1.26 -4.00 118.16 107.66 1q80 n LYS 167 Ca 0.00 0.22 -0.43 0.00 -1.05 0.00 0.00 58.31 57.06 1q80 n LYS 167 Cb 0.17 -1.80 -0.05 0.00 -0.65 0.00 0.00 35.03 32.71 1q80 n LYS 167 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1q80 s VAL 168 N -3.11 4.88 -0.26 0.58 1.01 -1.26 -4.85 120.40 117.38 1q80 s VAL 168 Ca 0.10 -2.74 0.23 0.00 0.00 0.00 0.00 61.98 59.57 1q80 s VAL 168 Cb 0.12 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1q80 s VAL 168 CO 0.58 -0.98 0.94 0.33 0.00 0.00 0.00 175.10 175.97 1q80 n PHE 169 N 3.69 0.67 -1.90 5.22 -0.00 -1.26 -4.88 117.46 119.01 1q80 n PHE 169 Ca 0.12 0.20 -0.22 0.00 -0.00 0.00 0.00 57.45 57.55 1q80 n PHE 169 Cb 0.43 -0.79 0.05 0.00 -0.00 0.00 0.00 39.48 39.17 1q80 n PHE 169 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1q80 n TRP 170 N -2.48 2.53 0.00 -5.13 7.02 -1.26 -5.08 117.44 113.04 1q80 n TRP 170 Ca -0.00 -2.23 0.00 0.00 -1.02 0.00 0.00 57.50 54.25 1q80 n TRP 170 Cb 0.53 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 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 -0.78 2.68 3.75 6.99 0.00 -1.26 -4.87 105.19 111.69 1q80 n GLY 171 Ca 0.44 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 1q80 n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q80 s PRO 172 N 0.00 4.57 -1.00 1.61 0.04 -1.26 -4.96 135.00 134.01 1q80 s PRO 172 Ca 0.00 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 1q80 s PRO 172 Cb 0.00 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1q80 s PRO 172 CO 0.00 0.07 1.64 -0.51 0.04 0.00 0.00 177.00 178.23 1q80 s LEU 173 N -0.82 3.40 0.00 -3.56 1.43 -1.26 -4.76 118.68 113.10 1q80 s LEU 173 Ca 0.48 -1.24 0.15 0.00 -1.03 0.00 0.00 54.13 52.49 1q80 s LEU 173 Cb -0.32 -2.57 0.90 0.00 0.03 0.00 0.00 46.19 44.24 1q80 s LEU 173 CO 0.39 -1.94 1.32 0.52 0.23 0.00 0.00 176.35 176.87