#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 -0.59 -0.35 4.04 5.19 -2.05 -1.53 116.42 121.13 1q80 h ASP 2 Ca 0.00 0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1q80 h ASP 2 Cb 0.00 0.36 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 1q80 h ASP 2 CO 0.00 -0.20 0.23 -0.07 -3.12 0.00 0.00 179.24 176.07 1q80 h LEU 3 N -0.05 0.39 0.19 1.55 3.38 -1.99 -1.61 115.31 117.16 1q80 h LEU 3 Ca 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1q80 h LEU 3 Cb 0.42 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1q80 h LEU 3 CO -0.54 0.28 -0.09 -0.25 0.09 0.00 0.00 178.44 177.93 1q80 h TRP 4 N 0.46 -0.23 -0.49 1.13 7.01 -1.93 -0.15 115.95 121.74 1q80 h TRP 4 Ca 0.13 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.17 1q80 h TRP 4 Cb -0.04 0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 1q80 h TRP 4 CO -0.06 -0.01 0.25 -0.24 -2.79 0.00 0.00 178.44 175.59 1q80 h VAL 5 N -0.42 0.95 -0.55 2.65 3.04 -1.30 -2.51 116.25 118.11 1q80 h VAL 5 Ca -0.03 -0.17 -0.03 0.00 -1.01 0.00 0.00 66.70 65.47 1q80 h VAL 5 Cb 0.33 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.01 1q80 h VAL 5 CO 0.04 0.09 0.24 1.56 -1.01 0.00 0.00 177.57 178.49 1q80 h GLN 6 N 0.48 0.81 0.23 4.17 4.20 -1.26 -1.69 115.11 122.06 1q80 h GLN 6 Ca 0.22 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1q80 h GLN 6 Cb 0.13 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1q80 h GLN 6 CO -0.16 0.68 -0.21 0.87 -0.67 0.00 0.00 178.83 179.35 1q80 h LYS 7 N 0.75 -0.45 -0.74 1.46 1.57 -0.80 0.16 116.57 118.52 1q80 h LYS 7 Ca 0.19 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1q80 h LYS 7 Cb 0.16 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1q80 h LYS 7 CO -0.02 -0.30 0.37 0.00 -0.57 0.00 0.00 179.45 178.93 1q80 h MET 8 N -0.47 1.05 -0.51 3.15 -0.00 -1.48 -1.59 114.93 115.09 1q80 h MET 8 Ca -0.01 -0.15 -0.07 0.00 -0.00 0.00 0.00 59.70 59.48 1q80 h MET 8 Cb 0.42 -0.19 -0.02 0.00 -0.00 0.00 0.00 31.60 31.81 1q80 h MET 8 CO -0.03 0.81 0.05 0.87 -0.00 0.00 0.00 176.91 178.61 1q80 h LYS 9 N 1.03 0.82 0.51 -0.10 1.79 -1.23 -0.79 116.57 118.61 1q80 h LYS 9 Ca 0.26 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1q80 h LYS 9 Cb 0.09 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1q80 h LYS 9 CO -0.03 0.79 -0.50 1.15 -1.08 0.00 0.00 179.45 179.78 1q80 h THR 10 N 0.77 0.00 -0.80 -0.16 2.02 -0.34 -1.59 112.91 112.82 1q80 h THR 10 Ca 0.16 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.34 1q80 h THR 10 Cb 0.40 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1q80 h THR 10 CO 0.01 0.00 0.52 0.22 0.37 0.00 0.00 175.52 176.64 1q80 h TYR 11 N -1.01 1.01 -0.06 3.16 3.20 -1.29 -1.70 116.97 120.28 1q80 h TYR 11 Ca -0.06 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1q80 h TYR 11 Cb 0.87 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 1q80 h TYR 11 CO -0.25 0.65 0.02 0.35 -1.64 0.00 0.00 178.16 177.29 1q80 h PHE 12 N 1.08 0.10 -0.75 -3.82 3.57 -1.09 -1.22 116.94 114.81 1q80 h PHE 12 Ca 0.29 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1q80 h PHE 12 Cb -0.11 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1q80 h PHE 12 CO -0.01 0.24 0.50 -0.91 -2.23 0.00 0.00 178.31 175.90 1q80 h ASN 13 N -0.07 0.81 -0.33 0.41 4.21 -1.16 0.51 115.58 119.95 1q80 h ASN 13 Ca 0.02 -0.01 -0.17 0.00 1.21 0.00 0.00 56.30 57.35 1q80 h ASN 13 Cb 0.19 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1q80 h ASN 13 CO -0.00 0.56 -0.45 0.03 -1.29 0.00 0.00 177.43 176.28 1q80 h ARG 14 N 0.94 0.89 0.00 0.81 2.47 -1.19 -3.35 114.38 114.95 1q80 h ARG 14 Ca 0.30 -0.52 -0.23 0.00 -1.26 0.00 0.00 59.98 58.27 1q80 h ARG 14 Cb 0.02 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 1q80 h ARG 14 CO -0.08 1.16 -1.24 0.82 0.56 0.00 0.00 179.97 181.19 1q80 h ILE 15 N 0.69 1.26 0.00 2.04 5.03 -1.08 -3.38 117.51 122.08 1q80 h ILE 15 Ca 0.04 -2.98 -0.61 0.00 -0.12 0.00 0.00 64.86 61.19 1q80 h ILE 15 Cb 1.05 2.61 0.03 0.00 -3.03 0.00 0.00 36.82 37.48 1q80 h ILE 15 CO 0.11 0.72 3.61 -0.67 -0.68 0.00 0.00 178.15 181.24 1q80 n ASP 16 N -3.20 8.01 0.02 1.72 -0.08 0.16 -4.78 116.55 118.40 1q80 n ASP 16 Ca -0.06 -2.52 -0.12 0.00 -1.51 0.00 0.00 54.79 50.57 1q80 n ASP 16 Cb 0.96 -1.47 -0.08 0.00 2.34 0.00 0.00 41.12 42.87 1q80 n ASP 16 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1q80 h PHE 17 N 5.27 -0.01 0.00 -0.67 3.04 -1.81 -3.04 116.94 119.72 1q80 h PHE 17 Ca 0.80 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.75 1q80 h PHE 17 Cb 0.26 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1q80 h PHE 17 CO 1.90 0.17 0.00 -0.40 -2.02 0.00 0.00 178.31 177.96 1q80 n ASP 18 N -5.01 0.00 -1.19 0.41 5.68 -1.26 -4.95 116.55 110.23 1q80 n ASP 18 Ca -0.08 -1.15 -0.15 0.00 -0.50 0.00 0.00 54.79 52.91 1q80 n ASP 18 Cb 0.11 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 1q80 n ASP 18 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1q80 n LYS 19 N -0.83 -1.05 0.18 0.11 4.76 -1.15 -4.95 118.16 115.23 1q80 n LYS 19 Ca 0.14 1.00 0.14 0.00 -2.87 0.00 0.00 58.31 56.71 1q80 n LYS 19 Cb 0.06 -5.15 0.59 0.00 -1.84 0.00 0.00 35.03 28.70 1q80 n LYS 19 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1q80 h ASP 20 N 0.00 0.00 0.00 4.39 1.82 -1.92 -3.46 116.42 117.24 1q80 h ASP 20 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1q80 h ASP 20 Cb 1.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1q80 h ASP 20 CO 0.45 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.69 1q80 n GLY 21 N -0.27 0.72 2.96 -0.78 0.00 -1.26 -5.07 105.19 101.49 1q80 n GLY 21 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.74 -0.29 -0.48 4.61 0.00 -1.26 -2.98 121.76 118.61 1q80 s ALA 22 Ca 0.00 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1q80 s ALA 22 Cb 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1q80 s ALA 22 CO 0.00 -0.11 1.12 0.42 0.00 0.00 0.00 175.76 177.19 1q80 s ILE 23 N 0.66 4.22 0.39 0.00 -1.09 0.64 -4.75 121.20 121.27 1q80 s ILE 23 Ca -0.05 1.18 0.05 0.00 -2.23 0.00 0.00 60.65 59.59 1q80 s ILE 23 Cb -0.07 -4.60 -0.02 0.00 -1.58 0.00 0.00 42.46 36.19 1q80 s ILE 23 CO -0.03 -1.01 0.17 0.42 -1.23 0.00 0.00 174.94 173.25 1q80 s THR 24 N 4.42 0.44 0.23 2.92 -4.23 -1.26 -0.85 115.64 117.31 1q80 s THR 24 Ca 0.47 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1q80 s THR 24 Cb -0.07 -2.36 0.18 0.00 1.34 0.00 0.00 72.50 71.59 1q80 s THR 24 CO 0.31 0.00 1.80 -0.09 -0.54 0.00 0.00 174.62 176.10 1q80 h ARG 25 N 1.85 0.66 -0.37 3.99 2.43 -1.94 -2.68 114.38 118.33 1q80 h ARG 25 Ca -0.33 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1q80 h ARG 25 Cb 1.27 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1q80 h ARG 25 CO 0.52 0.44 0.23 1.98 -1.51 0.00 0.00 179.97 181.63 1q80 h MET 26 N 0.68 0.49 0.02 0.20 4.05 -1.97 -1.73 114.93 116.67 1q80 h MET 26 Ca 0.36 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1q80 h MET 26 Cb 0.33 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1q80 h MET 26 CO -0.24 0.33 -0.01 0.22 0.23 0.00 0.00 176.91 177.44 1q80 h ASP 27 N 0.50 -0.02 -0.47 1.39 3.58 -1.81 0.23 116.42 119.81 1q80 h ASP 27 Ca 0.13 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1q80 h ASP 27 Cb -0.04 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1q80 h ASP 27 CO -0.03 0.14 0.18 -0.26 -2.88 0.00 0.00 179.24 176.39 1q80 h PHE 28 N -0.18 0.72 -0.52 0.28 0.04 -1.48 0.78 116.94 116.58 1q80 h PHE 28 Ca -0.00 -0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.63 1q80 h PHE 28 Cb 0.17 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 1q80 h PHE 28 CO -0.02 0.61 -0.00 0.93 -0.60 0.00 0.00 178.31 179.23 1q80 h GLU 29 N 0.62 0.93 0.11 1.51 5.08 -1.31 -1.51 114.58 120.00 1q80 h GLU 29 Ca 0.16 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1q80 h GLU 29 Cb 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1q80 h GLU 29 CO -0.01 0.95 -0.08 0.77 -1.00 0.00 0.00 179.01 179.63 1q80 h SER 30 N 0.80 -0.21 -0.26 1.42 0.02 -0.46 -2.64 113.55 112.21 1q80 h SER 30 Ca 0.15 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1q80 h SER 30 Cb 0.53 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 1q80 h SER 30 CO 0.03 -0.13 -0.21 -0.03 -1.14 0.00 0.00 176.83 175.34 1q80 h MET 31 N -0.20 -0.19 -0.63 3.45 1.85 -0.82 -1.64 114.93 116.76 1q80 h MET 31 Ca -0.00 0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.19 1q80 h MET 31 Cb 0.18 0.04 -0.07 0.00 0.43 0.00 0.00 31.60 32.18 1q80 h MET 31 CO -0.01 -0.13 0.26 0.00 -0.40 0.00 0.00 176.91 176.63 1q80 h ALA 32 N 0.91 0.83 0.40 0.39 0.00 -1.16 0.23 119.26 120.86 1q80 h ALA 32 Ca 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1q80 h ALA 32 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1q80 h ALA 32 CO -0.38 -0.15 -0.19 0.93 0.00 0.00 0.00 179.25 179.45 1q80 h GLU 33 N 0.46 -0.52 -0.64 0.00 5.08 -1.12 -1.19 114.58 116.65 1q80 h GLU 33 Ca 0.31 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 1q80 h GLU 33 Cb 0.36 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1q80 h GLU 33 CO -0.29 -0.22 0.10 0.00 -1.00 0.00 0.00 179.01 177.60 1q80 h ARG 34 N -0.80 1.05 -0.87 2.33 2.47 -1.24 -2.62 114.38 114.69 1q80 h ARG 34 Ca -0.05 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.37 1q80 h ARG 34 Cb 0.54 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 1q80 h ARG 34 CO 0.09 0.97 0.48 0.35 0.56 0.00 0.00 179.97 182.42 1q80 h PHE 35 N 0.99 1.20 0.00 3.04 3.04 -0.60 -2.57 116.94 122.04 1q80 h PHE 35 Ca 0.20 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.05 1q80 h PHE 35 Cb 0.43 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1q80 h PHE 35 CO 0.03 0.83 -0.33 0.00 -2.02 0.00 0.00 178.31 176.82 1q80 h ALA 36 N 1.26 1.08 0.00 2.41 0.00 -1.07 -3.38 119.26 119.56 1q80 h ALA 36 Ca 0.31 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1q80 h ALA 36 Cb 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1q80 h ALA 36 CO -0.05 0.41 -1.16 1.63 0.00 0.00 0.00 179.25 180.09 1q80 n LYS 37 N -3.61 0.55 0.17 0.00 5.02 -1.00 -4.72 118.16 114.56 1q80 n LYS 37 Ca -0.01 0.56 0.05 0.00 -2.02 0.00 0.00 58.31 56.90 1q80 n LYS 37 Cb 0.45 -1.73 0.10 0.00 -0.02 0.00 0.00 35.03 33.83 1q80 n LYS 37 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1q80 h GLU 38 N -1.00 0.00 0.00 1.97 3.07 -1.66 -3.48 114.58 113.48 1q80 h GLU 38 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1q80 h GLU 38 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1q80 h GLU 38 CO -0.18 0.37 0.00 0.45 -1.40 0.00 0.00 179.01 178.25 1q80 n SER 39 N -3.22 0.24 -4.11 1.42 2.88 -1.26 -5.04 113.62 104.53 1q80 n SER 39 Ca 0.02 -0.72 -0.44 0.00 -1.33 0.00 0.00 58.87 56.40 1q80 n SER 39 Cb 0.66 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.12 1q80 n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1q80 n GLU 40 N -0.63 4.08 -3.59 -1.46 4.71 -1.26 -4.89 120.64 117.60 1q80 n GLU 40 Ca 0.00 -4.39 -0.11 0.00 -0.01 0.00 0.00 57.16 52.65 1q80 n GLU 40 Cb 0.00 -2.59 -0.11 0.00 -1.01 0.00 0.00 31.44 27.74 1q80 n GLU 40 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1q80 s MET 41 N -1.85 0.26 0.00 3.49 0.23 -1.26 -4.89 119.30 115.29 1q80 s MET 41 Ca 0.32 0.80 0.00 0.00 -1.03 0.00 0.00 55.69 55.79 1q80 s MET 41 Cb 0.01 -0.03 0.00 0.00 -1.53 0.00 0.00 34.83 33.28 1q80 s MET 41 CO 0.04 -0.36 0.00 1.17 -2.03 0.00 0.00 175.02 173.84 1q80 n LYS 42 N 5.37 3.45 -0.05 3.16 3.00 -1.25 -4.76 118.16 127.08 1q80 n LYS 42 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1q80 n LYS 42 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.53 1q80 n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q80 n ALA 43 N -3.00 -0.01 -0.17 3.14 0.00 -1.26 -1.01 120.51 118.20 1q80 n ALA 43 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1q80 n ALA 43 Cb 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 19.45 19.45 1q80 n ALA 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1q80 h GLU 44 N 0.00 0.40 0.00 0.00 9.09 -1.93 -3.24 114.58 118.90 1q80 h GLU 44 Ca 0.05 -0.02 -0.20 0.00 0.05 0.00 0.00 59.36 59.23 1q80 h GLU 44 Cb 0.08 -0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 27.06 1q80 h GLU 44 CO -0.13 0.27 -0.97 1.25 0.05 0.00 0.00 179.01 179.47 1q80 h HIS 45 N 0.42 0.00 -0.63 2.06 6.17 -1.30 -3.40 115.15 118.47 1q80 h HIS 45 Ca 0.25 0.00 0.13 0.00 0.71 0.00 0.00 60.37 61.45 1q80 h HIS 45 Cb 0.24 0.00 -0.10 0.00 2.52 0.00 0.00 27.41 30.07 1q80 h HIS 45 CO -0.14 0.97 0.08 0.00 0.71 0.00 0.00 177.93 179.55 1q80 h ALA 46 N 1.03 0.70 -0.14 5.26 0.00 -1.51 0.12 119.26 124.72 1q80 h ALA 46 Ca -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1q80 h ALA 46 Cb 1.75 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1q80 h ALA 46 CO 0.13 -0.35 0.03 -0.22 0.00 0.00 0.00 179.25 178.84 1q80 h LYS 47 N 0.20 0.22 -0.71 0.00 3.11 -1.78 -2.57 116.57 115.04 1q80 h LYS 47 Ca 0.33 -0.05 0.09 0.00 -2.81 0.00 0.00 60.65 58.21 1q80 h LYS 47 Cb 0.53 -0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.66 1q80 h LYS 47 CO -0.47 0.38 0.35 -0.24 -2.81 0.00 0.00 179.45 176.66 1q80 h VAL 48 N 0.02 0.85 -0.19 2.00 3.04 -1.65 -1.19 116.25 119.12 1q80 h VAL 48 Ca 0.04 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 1q80 h VAL 48 Cb 0.26 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 1q80 h VAL 48 CO 0.00 0.11 0.09 0.25 -1.01 0.00 0.00 177.57 177.01 1q80 h LEU 49 N 0.60 0.26 -0.56 3.16 5.85 -0.79 -1.05 115.31 122.78 1q80 h LEU 49 Ca 0.35 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1q80 h LEU 49 Cb 0.37 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1q80 h LEU 49 CO -0.27 0.32 0.22 -0.03 -0.34 0.00 0.00 178.44 178.35 1q80 h MET 50 N 0.18 0.83 -0.40 1.25 4.05 -1.21 -0.37 114.93 119.26 1q80 h MET 50 Ca 0.07 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1q80 h MET 50 Cb 0.14 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1q80 h MET 50 CO -0.01 0.72 0.21 -0.44 0.23 0.00 0.00 176.91 177.63 1q80 h ASP 51 N 0.76 0.33 0.08 1.39 3.32 -1.18 -1.40 116.42 119.73 1q80 h ASP 51 Ca 0.19 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1q80 h ASP 51 Cb 0.20 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1q80 h ASP 51 CO -0.02 0.24 -0.04 0.28 -1.72 0.00 0.00 179.24 177.98 1q80 h SER 52 N 0.44 -0.09 -0.53 6.45 0.02 -1.11 -0.81 113.55 117.91 1q80 h SER 52 Ca 0.17 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1q80 h SER 52 Cb 0.05 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1q80 h SER 52 CO -0.10 0.26 0.14 -0.07 -1.14 0.00 0.00 176.83 175.91 1q80 h LEU 53 N -0.46 0.79 -0.46 5.07 3.38 -1.11 -1.83 115.31 120.69 1q80 h LEU 53 Ca -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1q80 h LEU 53 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1q80 h LEU 53 CO 0.02 0.81 0.18 0.71 0.09 0.00 0.00 178.44 180.25 1q80 h THR 54 N 0.73 1.21 -0.65 0.22 1.35 -1.34 -3.15 112.91 111.28 1q80 h THR 54 Ca 0.17 -0.64 0.08 0.00 -0.55 0.00 0.00 66.41 65.46 1q80 h THR 54 Cb 0.32 0.77 -0.06 0.00 -1.73 0.00 0.00 68.15 67.45 1q80 h THR 54 CO -0.00 0.24 0.32 1.23 -0.25 0.00 0.00 175.52 177.06 1q80 h GLY 55 N 0.60 0.95 0.50 5.82 0.00 -0.92 0.37 103.07 110.39 1q80 h GLY 55 Ca 0.15 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.35 1q80 h GLY 55 CO -0.01 0.07 0.15 -2.08 0.00 0.00 0.00 176.54 174.67 1q80 h VAL 56 N 0.56 0.81 0.39 4.60 2.07 -1.33 -1.06 116.25 122.29 1q80 h VAL 56 Ca 0.31 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1q80 h VAL 56 Cb 0.30 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1q80 h VAL 56 CO -0.24 0.06 -0.19 -0.25 0.02 0.00 0.00 177.57 176.97 1q80 h TRP 57 N 0.31 -0.49 -0.44 1.57 2.91 -1.45 -1.15 115.95 117.22 1q80 h TRP 57 Ca 0.23 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.33 1q80 h TRP 57 Cb 0.26 0.16 -0.09 0.00 -0.51 0.00 0.00 29.16 28.98 1q80 h TRP 57 CO -0.18 -0.30 -0.18 -0.44 -1.03 0.00 0.00 178.44 176.31 1q80 h ASP 58 N -1.13 -0.62 0.60 2.65 3.32 -0.91 -1.32 116.42 119.02 1q80 h ASP 58 Ca -0.05 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1q80 h ASP 58 Cb 0.40 0.35 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1q80 h ASP 58 CO 0.09 -0.21 -0.85 0.59 -1.72 0.00 0.00 179.24 177.13 1q80 n ASN 59 N -5.37 0.64 0.00 6.45 3.02 -0.41 -4.67 115.26 114.92 1q80 n ASN 59 Ca 0.03 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1q80 n ASN 59 Cb 0.28 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1q80 n ASN 59 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1q80 n PHE 60 N -2.00 0.00 0.30 3.10 3.72 -1.08 -4.90 117.46 116.60 1q80 n PHE 60 Ca 0.03 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.60 1q80 n PHE 60 Cb 0.43 0.25 0.93 0.00 -0.94 0.00 0.00 39.48 40.15 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 -1.50 4.37 5.85 -1.09 -2.98 115.31 119.97 1q80 h LEU 61 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1q80 h LEU 61 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1q80 h LEU 61 CO 0.00 0.04 0.21 0.74 -0.34 0.00 0.00 178.44 179.09 1q80 h THR 62 N 0.00 1.13 0.00 1.05 2.02 -1.48 -3.05 112.91 112.58 1q80 h THR 62 Ca -0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1q80 h THR 62 Cb 0.17 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1q80 h THR 62 CO 0.01 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.04 1q80 n ALA 63 N -2.47 1.52 0.12 6.16 0.00 -1.13 -2.10 120.51 122.60 1q80 n ALA 63 Ca 0.03 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1q80 n ALA 63 Cb 0.10 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.23 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 0.67 -0.63 0.00 2.07 -1.74 -3.33 116.25 113.29 1q80 h VAL 64 Ca 0.00 -0.83 -0.33 0.00 0.82 0.00 0.00 66.70 66.37 1q80 h VAL 64 Cb 0.22 1.06 -0.20 0.00 -1.52 0.00 0.00 31.29 30.85 1q80 h VAL 64 CO 0.00 0.15 0.23 0.00 0.02 0.00 0.00 177.57 177.97 1q80 n ALA 65 N -2.55 4.89 -1.00 1.67 0.00 -1.25 -4.99 120.51 117.28 1q80 n ALA 65 Ca -0.08 -3.04 -0.03 0.00 0.00 0.00 0.00 53.44 50.28 1q80 n ALA 65 Cb 0.26 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.13 0.33 0.00 0.00 0.00 -1.15 -3.74 105.19 99.51 1q80 n GLY 66 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.64 2.92 3.91 -0.02 0.00 -0.89 -4.96 105.19 106.79 1q80 n GLY 67 Ca -0.03 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 1.93 1.43 1.61 -0.14 -1.25 -4.97 119.74 118.35 1q80 s LYS 68 Ca 0.00 -0.08 -0.23 0.00 -1.36 0.00 0.00 55.97 54.30 1q80 s LYS 68 Cb 0.00 -2.02 0.36 0.00 -1.68 0.00 0.00 37.83 34.49 1q80 s LYS 68 CO 0.00 -1.54 0.85 0.41 -0.76 0.00 0.00 175.35 174.31 1q80 n GLY 69 N -3.21 -3.68 2.76 -3.33 0.00 -1.26 -4.60 105.19 91.86 1q80 n GLY 69 Ca 0.09 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.13 0.63 1.02 -0.61 -1.09 -0.03 -4.83 121.20 114.16 1q80 s ILE 70 Ca 0.65 -0.64 -0.17 0.00 -2.23 0.00 0.00 60.65 58.27 1q80 s ILE 70 Cb -0.13 -1.12 0.22 0.00 -1.58 0.00 0.00 42.46 39.85 1q80 s ILE 70 CO 0.56 -0.20 1.27 1.51 -1.23 0.00 0.00 174.94 176.84 1q80 s ASP 71 N 1.81 2.59 0.16 3.58 1.47 -1.26 -0.26 116.67 124.75 1q80 s ASP 71 Ca -0.01 0.37 -0.15 0.00 1.18 0.00 0.00 52.55 53.93 1q80 s ASP 71 Cb -0.17 -0.47 0.09 0.00 -0.34 0.00 0.00 42.92 42.02 1q80 s ASP 71 CO -0.08 -3.07 1.75 -0.08 0.68 0.00 0.00 175.17 174.37 1q80 h GLU 72 N -1.87 0.28 0.07 2.11 4.57 -1.96 -0.10 114.58 117.68 1q80 h GLU 72 Ca -0.45 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1q80 h GLU 72 Cb 1.25 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1q80 h GLU 72 CO 0.38 0.19 -0.03 1.79 -1.18 0.00 0.00 179.01 180.15 1q80 h THR 73 N 0.29 1.10 -0.64 0.32 1.35 -1.94 -1.37 112.91 112.03 1q80 h THR 73 Ca 0.18 -0.59 0.04 0.00 -0.55 0.00 0.00 66.41 65.50 1q80 h THR 73 Cb 0.17 1.49 -0.05 0.00 -1.73 0.00 0.00 68.15 68.03 1q80 h THR 73 CO -0.19 0.15 0.37 0.71 -0.25 0.00 0.00 175.52 176.31 1q80 h THR 74 N -0.35 1.02 0.34 6.82 1.35 -1.89 0.37 112.91 120.56 1q80 h THR 74 Ca -0.01 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.59 1q80 h THR 74 Cb 0.31 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1q80 h THR 74 CO 0.01 0.13 -0.16 0.15 -0.25 0.00 0.00 175.52 175.40 1q80 h PHE 75 N 0.71 -0.43 -0.21 4.73 3.57 -1.05 -1.31 116.94 122.95 1q80 h PHE 75 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1q80 h PHE 75 Cb 0.10 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1q80 h PHE 75 CO -0.07 -0.15 0.05 0.82 -2.23 0.00 0.00 178.31 176.74 1q80 h ILE 76 N -0.66 1.21 -0.20 1.41 1.08 -1.18 -1.18 117.51 117.97 1q80 h ILE 76 Ca -0.05 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1q80 h ILE 76 Cb 0.47 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1q80 h ILE 76 CO 0.08 0.21 0.09 0.78 -0.69 0.00 0.00 178.15 178.61 1q80 h ASN 77 N 0.15 0.28 -0.51 1.72 -0.26 -0.35 0.49 115.58 117.10 1q80 h ASN 77 Ca 0.07 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.62 1q80 h ASN 77 Cb 0.27 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1q80 h ASN 77 CO 0.00 0.35 0.18 0.77 -1.06 0.00 0.00 177.43 177.67 1q80 h SER 78 N 0.18 0.72 0.08 5.81 4.64 -1.27 -3.03 113.55 120.68 1q80 h SER 78 Ca 0.07 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1q80 h SER 78 Cb 0.15 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1q80 h SER 78 CO -0.01 0.72 -0.04 0.24 -0.87 0.00 0.00 176.83 176.87 1q80 h MET 79 N 0.68 -0.10 -0.42 4.77 2.86 -1.20 -1.84 114.93 119.68 1q80 h MET 79 Ca 0.17 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.89 1q80 h MET 79 Cb 0.24 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.83 1q80 h MET 79 CO -0.01 0.42 -0.33 -0.22 1.06 0.00 0.00 176.91 177.84 1q80 h LYS 80 N -0.90 -0.24 0.00 1.72 3.64 -1.02 -2.31 116.57 117.45 1q80 h LYS 80 Ca -0.01 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1q80 h LYS 80 Cb 0.57 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1q80 h LYS 80 CO 0.02 -0.16 -0.00 0.93 -2.27 0.00 0.00 179.45 177.97 1q80 h GLU 81 N -0.24 0.00 -0.37 1.90 3.07 -1.70 -3.38 114.58 113.85 1q80 h GLU 81 Ca 0.18 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1q80 h GLU 81 Cb 0.54 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1q80 h GLU 81 CO -0.55 0.43 -0.04 0.52 -1.40 0.00 0.00 179.01 177.96 1q80 h MET 82 N -1.00 0.61 0.00 2.33 2.86 -1.41 -2.75 114.93 115.56 1q80 h MET 82 Ca -0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1q80 h MET 82 Cb 0.43 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1q80 h MET 82 CO -0.00 0.66 0.00 0.28 1.06 0.00 0.00 176.91 178.91 1q80 n VAL 83 N -4.23 0.94 -0.07 -2.22 0.31 -0.87 -3.38 118.33 108.81 1q80 n VAL 83 Ca 0.02 0.24 0.05 0.00 -0.01 0.00 0.00 64.34 64.63 1q80 n VAL 83 Cb 0.29 -0.99 0.39 0.00 -0.91 0.00 0.00 33.84 32.63 1q80 n VAL 83 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1q80 h LYS 84 N 0.00 0.63 -6.22 5.55 1.57 -1.66 -3.41 116.57 113.03 1q80 h LYS 84 Ca 0.00 -0.04 -0.56 0.00 -1.87 0.00 0.00 60.65 58.18 1q80 h LYS 84 Cb 0.27 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1q80 h LYS 84 CO 0.00 0.42 0.71 -0.80 -0.57 0.00 0.00 179.45 179.21 1q80 s ASN 85 N -6.51 7.11 0.66 0.86 -0.87 -1.22 -4.97 114.94 110.00 1q80 s ASN 85 Ca -0.09 1.61 0.35 0.00 -1.57 0.00 0.00 52.86 53.16 1q80 s ASN 85 Cb 0.18 -2.55 1.92 0.00 -0.02 0.00 0.00 41.25 40.78 1q80 s ASN 85 CO 0.75 -0.58 2.08 1.55 -2.57 0.00 0.00 177.10 178.33 1q80 h PRO 86 N 7.45 0.00 0.00 -0.60 0.13 -1.90 -3.20 132.00 133.88 1q80 h PRO 86 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 1q80 h PRO 86 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1q80 h PRO 86 CO 0.91 0.00 -0.20 0.93 -0.23 0.00 0.00 178.00 179.41 1q80 h GLU 87 N 0.00 0.00 -0.00 0.86 3.07 -1.93 -3.34 114.58 113.24 1q80 h GLU 87 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1q80 h GLU 87 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1q80 h GLU 87 CO 0.00 0.20 -0.01 0.00 -1.40 0.00 0.00 179.01 177.79 1q80 n ALA 88 N -2.35 2.60 -0.33 3.43 0.00 -1.21 -4.59 120.51 118.06 1q80 n ALA 88 Ca -0.02 -0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.33 1q80 n ALA 88 Cb 0.30 -1.47 0.22 0.00 0.00 0.00 0.00 19.45 18.49 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 0.15 0.02 -0.81 0.00 1.57 -1.85 -2.67 116.57 112.98 1q80 h LYS 89 Ca 0.00 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1q80 h LYS 89 Cb 0.19 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1q80 h LYS 89 CO 0.00 0.01 0.53 0.66 -0.57 0.00 0.00 179.45 180.09 1q80 h SER 90 N 0.02 0.46 0.96 0.86 4.64 -1.93 0.98 113.55 119.54 1q80 h SER 90 Ca 0.52 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.79 1q80 h SER 90 Cb 0.98 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1q80 h SER 90 CO -0.91 0.23 -0.37 -0.37 -0.87 0.00 0.00 176.83 174.54 1q80 h VAL 91 N 0.49 0.83 0.18 0.95 -1.51 -1.85 -1.26 116.25 114.09 1q80 h VAL 91 Ca 0.40 -1.58 -0.35 0.00 -1.23 0.00 0.00 66.70 63.94 1q80 h VAL 91 Cb 0.85 1.98 0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1q80 h VAL 91 CO -0.15 0.37 -1.75 -0.37 -1.23 0.00 0.00 177.57 174.44 1q80 h VAL 92 N 0.00 0.93 0.15 7.19 -1.51 -1.43 -3.41 116.25 118.17 1q80 h VAL 92 Ca -0.00 -2.50 -0.32 0.00 -1.23 0.00 0.00 66.70 62.65 1q80 h VAL 92 Cb 0.95 2.76 0.00 0.00 -2.13 0.00 0.00 31.29 32.87 1q80 h VAL 92 CO 0.05 0.86 -1.56 -0.08 -1.23 0.00 0.00 177.57 175.60 1q80 h GLU 93 N 0.09 0.31 -0.99 5.19 4.81 -0.90 -3.42 114.58 119.69 1q80 h GLU 93 Ca -0.35 -0.54 0.40 0.00 -0.13 0.00 0.00 59.36 58.75 1q80 h GLU 93 Cb 2.09 0.20 -0.18 0.00 0.63 0.00 0.00 28.75 31.49 1q80 h GLU 93 CO 0.17 1.20 0.49 0.41 -0.73 0.00 0.00 179.01 180.55 1q80 n GLY 94 N 1.71 -0.79 0.33 1.92 0.00 -0.48 -1.96 105.19 105.93 1q80 n GLY 94 Ca -0.18 0.81 0.19 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.75 1.61 0.11 -1.86 -3.38 132.00 127.74 1q80 h PRO 95 Ca 0.82 0.00 0.16 0.00 0.11 0.00 0.00 66.00 67.09 1q80 h PRO 95 Cb 2.14 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 33.11 1q80 h PRO 95 CO -0.77 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 176.86 1q80 h LEU 96 N 0.00 -0.51 -1.27 2.35 3.38 -1.74 -1.49 115.31 116.03 1q80 h LEU 96 Ca 0.00 0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.30 1q80 h LEU 96 Cb 0.33 0.40 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1q80 h LEU 96 CO 0.00 -0.21 0.56 -0.65 0.09 0.00 0.00 178.44 178.23 1q80 h PRO 97 N 0.05 0.74 -0.03 1.13 0.11 -1.88 -1.49 132.00 130.63 1q80 h PRO 97 Ca 0.39 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.42 1q80 h PRO 97 Cb 0.65 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1q80 h PRO 97 CO -0.71 0.49 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.39 1q80 h LEU 98 N 0.76 0.16 -1.79 2.35 -0.00 -1.72 -3.27 115.31 111.80 1q80 h LEU 98 Ca 0.42 -0.62 0.14 0.00 -0.00 0.00 0.00 57.88 57.82 1q80 h LEU 98 Cb 0.56 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 1q80 h LEU 98 CO -0.18 0.75 0.41 -0.26 -0.00 0.00 0.00 178.44 179.16 1q80 h PHE 99 N -0.43 0.25 -0.01 1.13 0.04 -0.94 -2.54 116.94 114.45 1q80 h PHE 99 Ca -0.00 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.80 1q80 h PHE 99 Cb 0.74 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 1q80 h PHE 99 CO 0.14 0.10 -0.14 0.35 -0.60 0.00 0.00 178.31 178.16 1q80 h PHE 100 N 0.22 -0.37 -0.15 -0.55 3.57 -1.33 -1.51 116.94 116.81 1q80 h PHE 100 Ca 0.29 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1q80 h PHE 100 Cb 0.83 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1q80 h PHE 100 CO -0.00 -0.21 -0.08 0.00 -2.23 0.00 0.00 178.31 175.79 1q80 h ARG 101 N -0.23 0.23 -0.50 1.11 2.47 -1.56 -2.18 114.38 113.72 1q80 h ARG 101 Ca 0.05 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 1q80 h ARG 101 Cb 0.30 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1q80 h ARG 101 CO -0.15 0.33 -0.06 0.00 0.56 0.00 0.00 179.97 180.65 1q80 h ALA 102 N 1.70 0.95 0.00 0.04 0.00 -1.14 -3.18 119.26 117.64 1q80 h ALA 102 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1q80 h ALA 102 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1q80 h ALA 102 CO 0.01 0.62 -0.27 0.28 0.00 0.00 0.00 179.25 179.90 1q80 h VAL 103 N 0.80 0.46 0.00 0.00 2.07 -1.10 -3.42 116.25 115.07 1q80 h VAL 103 Ca 0.14 -1.65 -0.44 0.00 0.82 0.00 0.00 66.70 65.56 1q80 h VAL 103 Cb 0.57 2.23 0.04 0.00 -1.52 0.00 0.00 31.29 32.60 1q80 h VAL 103 CO 0.03 0.26 2.21 -0.67 0.02 0.00 0.00 177.57 179.42 1q80 n ASP 104 N -3.17 3.15 -0.51 0.57 2.03 -0.84 -4.82 116.55 112.97 1q80 n ASP 104 Ca 0.03 -2.42 0.44 0.00 0.52 0.00 0.00 54.79 53.35 1q80 n ASP 104 Cb 0.64 -0.98 0.78 0.00 -0.72 0.00 0.00 41.12 40.84 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 4.00 0.21 -0.05 5.18 1.03 -1.84 -1.81 112.91 119.63 1q80 h THR 105 Ca 0.39 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.79 1q80 h THR 105 Cb 0.36 0.21 0.00 0.00 -1.07 0.00 0.00 68.15 67.65 1q80 h THR 105 CO 1.62 0.00 0.00 -0.46 -0.01 0.00 0.00 175.52 176.67 1q80 n ASN 106 N -4.09 2.40 -2.51 0.00 6.94 -1.26 -3.78 115.26 112.96 1q80 n ASN 106 Ca 0.35 -1.69 -0.11 0.00 -0.02 0.00 0.00 54.58 53.11 1q80 n ASN 106 Cb 1.61 -0.02 0.06 0.00 -2.36 0.00 0.00 39.78 39.06 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 0.90 -4.08 -0.00 -3.83 4.07 -0.68 -4.77 120.64 112.25 1q80 n GLU 107 Ca 0.10 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 1q80 n GLU 107 Cb 0.41 -4.59 -0.00 0.00 -0.06 0.00 0.00 31.44 27.20 1q80 n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1q80 n ASP 108 N -2.33 0.37 0.00 4.31 5.68 -1.26 -5.05 116.55 118.27 1q80 n ASP 108 Ca -0.18 -0.47 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 1q80 n ASP 108 Cb 0.61 1.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.59 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 -1.04 -2.99 -3.75 -1.12 0.23 -1.26 -5.07 115.26 100.26 1q80 n ASN 109 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.93 1q80 n ASN 109 Cb 0.00 -0.50 -0.13 0.00 -2.08 0.00 0.00 39.78 37.08 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 -2.98 -0.26 -0.26 0.53 0.01 -1.26 -4.56 114.94 106.16 1q80 s ASN 110 Ca 0.00 0.52 -0.09 0.00 -0.71 0.00 0.00 52.86 52.58 1q80 s ASN 110 Cb 0.00 0.44 -0.04 0.00 0.41 0.00 0.00 41.25 42.06 1q80 s ASN 110 CO 0.00 -0.14 0.12 -0.63 -1.51 0.00 0.00 177.10 174.94 1q80 s ILE 111 N 0.92 4.74 0.69 0.60 1.01 -0.73 -4.87 121.20 123.56 1q80 s ILE 111 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1q80 s ILE 111 Cb -0.08 -3.23 0.09 0.00 0.01 0.00 0.00 42.46 39.25 1q80 s ILE 111 CO -0.06 0.31 0.96 -0.94 0.00 0.00 0.00 174.94 175.21 1q80 s SER 112 N 1.63 4.62 0.17 3.58 1.04 -1.26 -0.61 113.70 122.87 1q80 s SER 112 Ca 0.07 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.30 1q80 s SER 112 Cb -0.15 -0.53 0.10 0.00 0.10 0.00 0.00 66.02 65.54 1q80 s SER 112 CO 0.07 -1.67 1.66 -0.09 0.98 0.00 0.00 173.24 174.19 1q80 h ARG 113 N -0.47 -0.01 -0.25 4.02 2.43 -1.96 -1.53 114.38 116.61 1q80 h ARG 113 Ca -0.40 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.62 1q80 h ARG 113 Cb 1.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1q80 h ARG 113 CO 0.48 -0.00 -0.43 -0.44 -1.51 0.00 0.00 179.97 178.07 1q80 h ASP 114 N -0.01 0.67 -0.30 -3.80 5.19 -1.95 -1.54 116.42 114.68 1q80 h ASP 114 Ca 0.20 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1q80 h ASP 114 Cb 0.31 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1q80 h ASP 114 CO -0.43 1.01 0.16 -0.33 -3.12 0.00 0.00 179.24 176.53 1q80 h GLU 115 N 0.51 0.43 -0.86 3.56 5.08 -1.87 0.01 114.58 121.43 1q80 h GLU 115 Ca 0.04 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1q80 h GLU 115 Cb 0.95 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1q80 h GLU 115 CO 0.09 0.38 0.57 -0.92 -1.00 0.00 0.00 179.01 178.13 1q80 h TYR 116 N 0.36 1.06 -0.44 4.33 3.20 -1.24 -1.72 116.97 122.52 1q80 h TYR 116 Ca 0.11 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1q80 h TYR 116 Cb 0.08 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1q80 h TYR 116 CO -0.03 0.64 0.29 0.78 -1.64 0.00 0.00 178.16 178.20 1q80 h GLY 117 N 1.12 0.61 0.96 1.82 0.00 -0.70 -1.52 103.07 105.36 1q80 h GLY 117 Ca 0.33 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1q80 h GLY 117 CO -0.09 0.22 0.46 -2.22 0.00 0.00 0.00 176.54 174.91 1q80 h ILE 118 N 0.59 1.15 -0.01 2.60 5.03 -0.62 -0.58 117.51 125.67 1q80 h ILE 118 Ca 0.16 -0.31 0.03 0.00 -0.12 0.00 0.00 64.86 64.61 1q80 h ILE 118 Cb -0.06 0.15 -0.04 0.00 -3.03 0.00 0.00 36.82 33.84 1q80 h ILE 118 CO -0.04 0.17 -0.20 0.15 -0.68 0.00 0.00 178.15 177.55 1q80 h PHE 119 N 0.92 -0.53 -0.27 1.37 3.57 -1.13 -1.60 116.94 119.27 1q80 h PHE 119 Ca 0.27 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.84 1q80 h PHE 119 Cb -0.06 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1q80 h PHE 119 CO -0.03 -0.29 -0.12 0.74 -2.23 0.00 0.00 178.31 176.39 1q80 h PHE 120 N -0.32 -0.27 -0.92 0.41 -1.00 -1.01 -2.32 116.94 111.50 1q80 h PHE 120 Ca 0.06 0.03 0.15 0.00 2.81 0.00 0.00 57.97 61.02 1q80 h PHE 120 Cb 0.40 0.16 -0.09 0.00 3.61 0.00 0.00 35.95 40.03 1q80 h PHE 120 CO -0.25 -0.18 0.53 0.78 -1.61 0.00 0.00 178.31 177.58 1q80 h GLY 121 N -0.07 1.54 1.07 -1.45 0.00 -0.89 -1.25 103.07 102.03 1q80 h GLY 121 Ca 0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1q80 h GLY 121 CO -0.32 0.02 -0.08 1.98 0.00 0.00 0.00 176.54 178.14 1q80 h MET 122 N 0.76 1.01 0.00 4.80 -1.53 -0.88 -2.32 114.93 116.77 1q80 h MET 122 Ca 0.50 -0.36 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 1q80 h MET 122 Cb 0.65 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.63 1q80 h MET 122 CO -0.33 1.04 0.00 1.28 0.14 0.00 0.00 176.91 179.04 1q80 n LEU 123 N -4.19 0.01 -0.02 3.39 7.99 -0.91 -4.89 117.00 118.38 1q80 n LEU 123 Ca 0.01 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.52 1q80 n LEU 123 Cb 0.38 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1q80 n LEU 123 CO 0.45 -0.38 0.00 0.61 -1.51 0.00 0.00 177.39 176.56 1q80 n GLY 124 N -0.73 1.29 3.71 -0.72 0.00 -0.87 -4.98 105.19 102.89 1q80 n GLY 124 Ca 0.02 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.05 3.06 0.02 0.99 1.02 -0.51 -5.00 118.68 118.21 1q80 s LEU 125 Ca 0.00 -1.15 -0.22 0.00 0.02 0.00 0.00 54.13 52.78 1q80 s LEU 125 Cb 0.00 -1.31 -0.05 0.00 0.02 0.00 0.00 46.19 44.85 1q80 s LEU 125 CO 0.00 -0.52 0.66 -0.62 0.02 0.00 0.00 176.35 175.88 1q80 s ASP 126 N -3.86 7.07 0.28 2.29 -1.08 -1.26 -3.46 116.67 116.65 1q80 s ASP 126 Ca 0.40 1.27 0.02 0.00 -0.52 0.00 0.00 52.55 53.71 1q80 s ASP 126 Cb 0.05 -2.40 0.62 0.00 -1.46 0.00 0.00 42.92 39.73 1q80 s ASP 126 CO 0.21 0.08 1.75 0.11 0.52 0.00 0.00 175.17 177.84 1q80 h LYS 127 N 5.60 0.59 0.00 4.34 1.57 -1.93 -1.70 116.57 125.05 1q80 h LYS 127 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1q80 h LYS 127 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1q80 h LYS 127 CO 0.70 0.39 0.04 1.79 -0.57 0.00 0.00 179.45 181.79 1q80 h THR 128 N 0.60 0.00 -0.02 -0.16 1.35 -1.94 -2.45 112.91 110.30 1q80 h THR 128 Ca 0.51 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 66.18 1q80 h THR 128 Cb 0.80 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1q80 h THR 128 CO -0.40 0.00 -0.83 0.24 -0.25 0.00 0.00 175.52 174.28 1q80 h MET 129 N 0.00 0.25 -0.61 4.72 2.86 -1.72 -3.38 114.93 117.06 1q80 h MET 129 Ca 0.00 -0.25 0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1q80 h MET 129 Cb 0.07 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 1q80 h MET 129 CO 0.00 0.95 0.30 0.00 1.06 0.00 0.00 176.91 179.22 1q80 h ALA 130 N 0.97 0.80 -0.94 6.32 0.00 -1.58 -3.25 119.26 121.58 1q80 h ALA 130 Ca -0.04 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.12 1q80 h ALA 130 Cb 1.43 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 1q80 h ALA 130 CO 0.13 -0.06 0.49 -1.35 0.00 0.00 0.00 179.25 178.46 1q80 h PRO 131 N 0.56 0.50 -0.41 0.00 0.11 -1.76 -0.71 132.00 130.30 1q80 h PRO 131 Ca 0.28 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1q80 h PRO 131 Cb 0.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1q80 h PRO 131 CO -0.21 0.33 0.25 0.00 -0.21 0.00 0.00 178.00 178.17 1q80 h ALA 132 N 1.70 0.52 -0.16 -0.75 0.00 -1.84 -1.50 119.26 117.23 1q80 h ALA 132 Ca 0.58 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.27 1q80 h ALA 132 Cb 1.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1q80 h ALA 132 CO -0.48 0.00 -0.62 0.77 0.00 0.00 0.00 179.25 178.92 1q80 h SER 133 N 0.54 0.63 -0.34 0.00 0.02 -1.60 -3.32 113.55 109.48 1q80 h SER 133 Ca 0.15 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1q80 h SER 133 Cb -0.02 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1q80 h SER 133 CO -0.03 1.10 0.17 0.15 -1.14 0.00 0.00 176.83 177.08 1q80 h PHE 134 N 0.41 0.31 -1.01 3.45 3.57 -1.01 -3.08 116.94 119.58 1q80 h PHE 134 Ca -0.01 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.73 1q80 h PHE 134 Cb 1.19 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 39.72 1q80 h PHE 134 CO 0.05 0.17 0.61 0.22 -2.23 0.00 0.00 178.31 177.13 1q80 h ASP 135 N 0.35 0.68 0.42 0.41 3.58 -1.37 -1.26 116.42 119.24 1q80 h ASP 135 Ca 0.14 0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 1q80 h ASP 135 Cb 0.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1q80 h ASP 135 CO -0.10 0.17 -0.36 0.00 -2.88 0.00 0.00 179.24 176.06 1q80 h ALA 136 N 1.69 1.33 0.08 -0.78 0.00 -1.66 -3.32 119.26 116.58 1q80 h ALA 136 Ca 0.61 -0.33 -0.33 0.00 0.00 0.00 0.00 54.91 54.86 1q80 h ALA 136 Cb 1.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1q80 h ALA 136 CO -0.42 0.45 -1.87 -0.89 0.00 0.00 0.00 179.25 176.53 1q80 n ILE 137 N -4.00 1.72 -0.28 0.00 5.41 -0.57 -4.81 119.36 116.82 1q80 n ILE 137 Ca -0.02 -0.72 -0.18 0.00 1.00 0.00 0.00 62.75 62.84 1q80 n ILE 137 Cb 0.41 -1.46 -0.04 0.00 -0.71 0.00 0.00 39.64 37.84 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 -3.31 0.89 0.01 4.38 2.03 -0.62 -4.75 116.55 115.18 1q80 n ASP 138 Ca -0.25 -2.21 0.07 0.00 0.52 0.00 0.00 54.79 52.91 1q80 n ASP 138 Cb 1.05 -0.59 0.29 0.00 -0.72 0.00 0.00 41.12 41.15 1q80 n ASP 138 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1q80 n THR 139 N 5.56 1.07 0.33 5.18 -2.24 -1.26 -3.14 114.28 119.78 1q80 n THR 139 Ca 0.21 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 1q80 n THR 139 Cb 0.16 -1.05 0.10 0.00 -2.10 0.00 0.00 70.33 67.44 1q80 n THR 139 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1q80 h ASN 140 N 0.00 0.00 -0.01 3.42 7.08 -1.85 -3.49 115.58 120.73 1q80 h ASN 140 Ca 0.00 -0.09 -0.00 0.00 -3.08 0.00 0.00 56.30 53.13 1q80 h ASN 140 Cb 0.23 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.47 1q80 h ASN 140 CO 0.00 0.05 -0.00 -3.20 -2.08 0.00 0.00 177.43 172.19 1q80 n ASN 141 N -2.47 -4.18 -0.52 6.14 5.15 -1.19 -4.93 115.26 113.26 1q80 n ASN 141 Ca 0.02 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.10 1q80 n ASN 141 Cb 0.50 -1.69 0.01 0.00 -0.53 0.00 0.00 39.78 38.07 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1q80 n ASP 142 N -0.38 2.06 0.00 1.20 8.00 -1.26 -5.00 116.55 121.16 1q80 n ASP 142 Ca -0.00 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 53.97 1q80 n ASP 142 Cb 0.20 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 1.33 0.65 3.46 0.44 0.00 -1.26 -5.09 105.19 104.72 1q80 n GLY 143 Ca 0.09 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 2.45 -0.24 0.99 2.01 -1.26 -3.33 118.68 119.30 1q80 s LEU 144 Ca 0.00 -1.27 0.01 0.00 0.01 0.00 0.00 54.13 52.88 1q80 s LEU 144 Cb 0.00 -0.61 0.06 0.00 0.01 0.00 0.00 46.19 45.65 1q80 s LEU 144 CO 0.00 -0.43 -0.07 -0.76 1.01 0.00 0.00 176.35 176.10 1q80 s LEU 145 N -3.50 2.79 0.92 1.79 1.43 0.22 -4.65 118.68 117.68 1q80 s LEU 145 Ca 0.32 -1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.05 1q80 s LEU 145 Cb 0.06 -1.27 0.19 0.00 0.03 0.00 0.00 46.19 45.20 1q80 s LEU 145 CO 0.14 -0.23 1.27 -0.94 0.23 0.00 0.00 176.35 176.82 1q80 s SER 146 N 1.32 3.34 0.13 2.29 1.04 -1.26 -1.77 113.70 118.79 1q80 s SER 146 Ca -0.06 0.17 -0.20 0.00 0.48 0.00 0.00 55.95 56.34 1q80 s SER 146 Cb -0.19 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.63 1q80 s SER 146 CO -0.06 -2.58 1.70 0.25 0.98 0.00 0.00 173.24 173.53 1q80 h LEU 147 N -1.45 -0.21 -0.55 2.42 7.12 -2.00 -2.54 115.31 118.09 1q80 h LEU 147 Ca -0.43 0.06 0.11 0.00 0.13 0.00 0.00 57.88 57.76 1q80 h LEU 147 Cb 1.24 0.13 -0.10 0.00 -0.53 0.00 0.00 40.66 41.41 1q80 h LEU 147 CO 0.39 -0.08 -0.04 -0.08 -0.13 0.00 0.00 178.44 178.50 1q80 h GLU 148 N -0.01 0.08 -0.07 1.25 4.57 -1.99 -0.29 114.58 118.12 1q80 h GLU 148 Ca 0.10 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1q80 h GLU 148 Cb 0.16 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1q80 h GLU 148 CO -0.22 0.05 0.01 0.93 -1.18 0.00 0.00 179.01 178.61 1q80 h GLU 149 N 0.08 0.11 -0.36 1.92 3.07 -1.88 -1.64 114.58 115.89 1q80 h GLU 149 Ca 0.28 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 1q80 h GLU 149 Cb 0.44 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1q80 h GLU 149 CO -0.50 0.33 0.19 0.35 -1.40 0.00 0.00 179.01 177.98 1q80 h PHE 150 N -0.12 0.51 -0.38 4.33 3.04 -1.21 -1.49 116.94 121.62 1q80 h PHE 150 Ca 0.02 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1q80 h PHE 150 Cb 0.27 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 1q80 h PHE 150 CO 0.01 0.41 0.11 -0.39 -2.02 0.00 0.00 178.31 176.44 1q80 h VAL 151 N 0.45 1.22 0.53 1.41 -1.51 -1.08 -0.82 116.25 116.45 1q80 h VAL 151 Ca 0.13 -0.73 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1q80 h VAL 151 Cb 0.09 0.97 0.01 0.00 -2.13 0.00 0.00 31.29 30.22 1q80 h VAL 151 CO -0.02 0.25 -0.26 0.40 -1.23 0.00 0.00 177.57 176.72 1q80 h ILE 152 N 0.47 0.44 -0.94 7.19 2.04 -1.27 -1.29 117.51 124.15 1q80 h ILE 152 Ca 0.12 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1q80 h ILE 152 Cb 0.27 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 1q80 h ILE 152 CO -0.00 0.03 0.60 0.00 0.00 0.00 0.00 178.15 178.78 1q80 h ALA 153 N -0.46 1.32 -0.72 1.87 0.00 -1.35 -1.76 119.26 118.16 1q80 h ALA 153 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1q80 h ALA 153 Cb 0.60 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1q80 h ALA 153 CO 0.12 0.34 0.36 0.78 0.00 0.00 0.00 179.25 180.85 1q80 h GLY 154 N 1.06 1.11 0.72 0.00 0.00 -1.11 -1.74 103.07 103.11 1q80 h GLY 154 Ca 0.42 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 47.24 1q80 h GLY 154 CO -0.19 0.52 0.02 1.76 0.00 0.00 0.00 176.54 178.65 1q80 h SER 155 N 1.01 -0.04 -0.34 0.19 0.02 -0.71 -1.12 113.55 112.57 1q80 h SER 155 Ca 0.25 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.28 1q80 h SER 155 Cb 0.10 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1q80 h SER 155 CO -0.03 0.01 0.10 -0.78 -1.14 0.00 0.00 176.83 174.99 1q80 h ASP 156 N 0.09 0.10 -0.02 3.07 3.58 -1.17 -0.55 116.42 121.53 1q80 h ASP 156 Ca 0.10 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.61 1q80 h ASP 156 Cb 0.11 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1q80 h ASP 156 CO -0.15 0.09 -0.15 0.15 -2.88 0.00 0.00 179.24 176.31 1q80 h PHE 157 N 0.24 -0.39 -0.09 0.28 3.57 -1.08 -0.73 116.94 118.74 1q80 h PHE 157 Ca 0.15 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1q80 h PHE 157 Cb 0.14 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1q80 h PHE 157 CO -0.15 -0.22 -0.44 0.74 -2.23 0.00 0.00 178.31 176.01 1q80 h PHE 158 N -0.24 0.25 0.00 0.41 0.04 -1.05 -3.40 116.94 112.95 1q80 h PHE 158 Ca 0.06 -0.07 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 1q80 h PHE 158 Cb 0.32 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 1q80 h PHE 158 CO -0.21 0.62 -1.57 0.00 -0.60 0.00 0.00 178.31 176.54 1q80 n MET 159 N -4.00 1.90 -3.34 1.51 0.00 -0.23 -4.90 117.12 108.06 1q80 n MET 159 Ca -0.02 0.02 -0.38 0.00 0.00 0.00 0.00 57.70 57.32 1q80 n MET 159 Cb 0.50 -1.21 -0.06 0.00 0.00 0.00 0.00 33.22 32.45 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 -4.33 6.71 -0.03 3.17 2.47 -0.28 -5.00 114.94 117.65 1q80 s ASN 160 Ca -0.07 0.85 0.04 0.00 0.42 0.00 0.00 52.86 54.09 1q80 s ASN 160 Cb 0.03 -2.28 -0.06 0.00 -1.45 0.00 0.00 41.25 37.49 1q80 s ASN 160 CO 0.31 0.05 0.05 -0.67 -3.72 0.00 0.00 177.10 173.11 1q80 n ASP 161 N 3.37 3.97 -3.78 -4.21 2.03 -1.26 -4.68 116.55 111.99 1q80 n ASP 161 Ca -0.08 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.81 1q80 n ASP 161 Cb 0.52 0.84 0.00 0.00 -0.72 0.00 0.00 41.12 41.76 1q80 n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q80 n GLY 162 N 2.55 4.88 2.48 0.27 0.00 -1.26 -4.48 105.19 109.63 1q80 n GLY 162 Ca -0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 46.02 43.84 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 3.31 -5.25 -3.54 1.61 2.03 -1.26 -5.13 116.55 108.31 1q80 n ASP 163 Ca 0.44 1.62 -0.17 0.00 0.52 0.00 0.00 54.79 57.20 1q80 n ASP 163 Cb 0.34 -5.10 -0.06 0.00 -0.72 0.00 0.00 41.12 35.58 1q80 n ASP 163 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1q80 s SER 164 N -0.60 -0.66 0.57 1.67 0.01 -1.26 -5.09 113.70 108.34 1q80 s SER 164 Ca -0.13 0.82 0.26 0.00 1.31 0.00 0.00 55.95 58.21 1q80 s SER 164 Cb 0.01 0.68 1.68 0.00 0.21 0.00 0.00 66.02 68.60 1q80 s SER 164 CO 0.35 -0.53 2.22 0.00 0.41 0.00 0.00 173.24 175.69 1q80 h THR 165 N 3.14 0.65 -0.30 1.44 1.03 -1.99 -3.11 112.91 113.77 1q80 h THR 165 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1q80 h THR 165 Cb 1.14 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 1q80 h THR 165 CO 0.33 0.00 0.00 0.59 -0.01 0.00 0.00 175.52 176.43 1q80 n ASN 166 N -4.02 3.06 0.16 0.00 5.03 -1.26 -4.34 115.26 113.88 1q80 n ASN 166 Ca -0.03 -2.37 0.03 0.00 0.87 0.00 0.00 54.58 53.08 1q80 n ASN 166 Cb 0.09 -0.53 0.21 0.00 -1.02 0.00 0.00 39.78 38.53 1q80 n ASN 166 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 1q80 h LYS 167 N 1.98 0.00 -4.70 3.52 2.10 -1.88 -3.31 116.57 114.27 1q80 h LYS 167 Ca 0.00 0.00 -0.73 0.00 -2.00 0.00 0.00 60.65 57.92 1q80 h LYS 167 Cb 1.09 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.23 1q80 h LYS 167 CO 0.20 0.50 1.01 0.14 -2.00 0.00 0.00 179.45 179.30 1q80 s VAL 168 N -3.40 5.03 -0.24 0.07 -7.23 -1.26 -4.75 120.40 108.62 1q80 s VAL 168 Ca 0.01 -2.30 0.01 0.00 -1.81 0.00 0.00 61.98 57.89 1q80 s VAL 168 Cb 0.10 -4.81 -0.15 0.00 0.56 0.00 0.00 36.38 32.08 1q80 s VAL 168 CO 0.72 -1.51 -0.22 0.33 -0.31 0.00 0.00 175.10 174.12 1q80 n PHE 169 N 5.64 0.00 -1.26 2.82 -0.00 -1.25 -4.86 117.46 118.56 1q80 n PHE 169 Ca 0.30 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.48 1q80 n PHE 169 Cb 0.45 -0.91 0.15 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 -3.25 3.11 -4.05 -5.13 7.02 -1.26 -5.08 117.44 108.81 1q80 n TRP 170 Ca -0.43 -2.18 0.00 0.00 -1.02 0.00 0.00 57.50 53.88 1q80 n TRP 170 Cb 0.94 -1.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.75 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 -1.09 -1.55 3.65 6.99 0.00 -1.26 -4.92 105.19 107.01 1q80 n GLY 171 Ca 0.61 -1.32 -0.53 0.00 0.00 0.00 0.00 46.02 44.78 1q80 n GLY 171 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1q80 n PRO 172 N -0.03 1.32 -1.77 1.61 -0.02 -1.26 -4.88 135.00 129.97 1q80 n PRO 172 Ca 0.00 0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 1q80 n PRO 172 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1q80 n PRO 172 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q80 s LEU 173 N 1.89 3.35 0.00 2.45 1.43 -1.26 -4.94 118.68 121.60 1q80 s LEU 173 Ca 0.90 0.73 0.21 0.00 -1.03 0.00 0.00 54.13 54.94 1q80 s LEU 173 Cb -0.95 -2.51 1.27 0.00 0.03 0.00 0.00 46.19 44.03 1q80 s LEU 173 CO 0.53 -2.68 1.65 1.33 0.23 0.00 0.00 176.35 177.42