#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 -1.23 -0.61 6.43 3.58 -2.01 -1.61 116.42 120.96 1q80 h ASP 2 Ca 0.00 0.12 0.12 0.00 0.42 0.00 0.00 57.03 57.69 1q80 h ASP 2 Cb 0.00 0.45 -0.09 0.00 1.72 0.00 0.00 39.33 41.40 1q80 h ASP 2 CO 0.00 -0.45 0.11 -0.07 -2.88 0.00 0.00 179.24 175.94 1q80 h LEU 3 N -0.62 -0.05 0.30 2.28 3.38 -1.98 0.12 115.31 118.73 1q80 h LEU 3 Ca -0.01 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1q80 h LEU 3 Cb 0.61 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1q80 h LEU 3 CO -0.20 -0.02 -0.14 -0.25 0.09 0.00 0.00 178.44 177.92 1q80 h TRP 4 N 0.23 -0.37 -0.85 1.13 7.01 -1.89 -1.48 115.95 119.74 1q80 h TRP 4 Ca 0.32 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.30 1q80 h TRP 4 Cb 0.50 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.64 1q80 h TRP 4 CO -0.27 -0.07 0.46 -0.24 -2.79 0.00 0.00 178.44 175.53 1q80 h VAL 5 N -0.67 1.25 -0.46 2.65 3.04 -1.07 -2.64 116.25 118.35 1q80 h VAL 5 Ca -0.04 -0.63 -0.13 0.00 -1.01 0.00 0.00 66.70 64.90 1q80 h VAL 5 Cb 0.47 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 1q80 h VAL 5 CO 0.07 0.28 -0.21 1.56 -1.01 0.00 0.00 177.57 178.26 1q80 h GLN 6 N 1.18 0.94 -0.05 4.17 1.08 -0.80 -0.02 115.11 121.61 1q80 h GLN 6 Ca 0.30 -0.39 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1q80 h GLN 6 Cb 0.04 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1q80 h GLN 6 CO -0.05 1.05 0.02 1.57 -0.95 0.00 0.00 178.83 180.47 1q80 h LYS 7 N 0.82 0.08 -0.66 1.46 2.10 -1.19 0.44 116.57 119.62 1q80 h LYS 7 Ca 0.11 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 1q80 h LYS 7 Cb 0.77 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.05 1q80 h LYS 7 CO 0.06 0.26 0.37 0.52 -2.00 0.00 0.00 179.45 178.67 1q80 h MET 8 N -0.11 0.90 -0.14 0.07 2.86 -1.53 -1.90 114.93 115.08 1q80 h MET 8 Ca 0.02 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 1q80 h MET 8 Cb 0.21 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1q80 h MET 8 CO -0.00 0.67 -0.17 0.87 1.06 0.00 0.00 176.91 179.33 1q80 h LYS 9 N 0.89 0.23 0.86 1.72 1.57 -0.96 -0.97 116.57 119.92 1q80 h LYS 9 Ca 0.23 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1q80 h LYS 9 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1q80 h LYS 9 CO -0.04 0.40 -0.49 1.79 -0.57 0.00 0.00 179.45 180.54 1q80 h THR 10 N 0.21 0.00 -0.86 -0.16 1.35 -0.15 -1.97 112.91 111.34 1q80 h THR 10 Ca 0.04 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.91 1q80 h THR 10 Cb 0.44 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 66.81 1q80 h THR 10 CO 0.03 0.00 0.57 0.22 -0.25 0.00 0.00 175.52 176.08 1q80 h TYR 11 N -1.25 1.07 0.94 4.73 3.20 -1.31 -1.57 116.97 122.78 1q80 h TYR 11 Ca -0.12 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 1q80 h TYR 11 Cb 0.99 -0.36 0.01 0.00 1.54 0.00 0.00 36.73 38.91 1q80 h TYR 11 CO -0.07 0.66 -0.45 0.35 -1.64 0.00 0.00 178.16 177.01 1q80 h PHE 12 N 1.15 -1.17 -0.20 -3.82 3.57 -1.16 -1.37 116.94 113.92 1q80 h PHE 12 Ca 0.32 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 1q80 h PHE 12 Cb -0.11 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1q80 h PHE 12 CO -0.01 -0.73 -0.09 -0.97 -2.23 0.00 0.00 178.31 174.28 1q80 h ASN 13 N -1.30 0.30 0.20 0.41 -1.24 -1.40 -1.91 115.58 110.65 1q80 h ASN 13 Ca -0.13 -0.06 -0.27 0.00 0.71 0.00 0.00 56.30 56.55 1q80 h ASN 13 Cb 0.97 -0.08 0.02 0.00 0.73 0.00 0.00 38.32 39.96 1q80 h ASN 13 CO 0.21 0.43 -1.14 0.03 -1.29 0.00 0.00 177.43 175.68 1q80 h ARG 14 N 0.31 0.56 0.00 6.67 3.08 -1.29 -3.30 114.38 120.40 1q80 h ARG 14 Ca 0.06 -0.70 -0.10 0.00 0.07 0.00 0.00 59.98 59.31 1q80 h ARG 14 Cb 0.36 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1q80 h ARG 14 CO 0.02 1.29 -0.50 0.97 -1.07 0.00 0.00 179.97 180.68 1q80 h ILE 15 N 0.27 1.18 0.00 2.04 6.09 -1.21 -3.39 117.51 122.48 1q80 h ILE 15 Ca -0.15 -1.82 -0.56 0.00 -1.37 0.00 0.00 64.86 60.96 1q80 h ILE 15 Cb 1.80 2.03 0.05 0.00 0.47 0.00 0.00 36.82 41.18 1q80 h ILE 15 CO 0.21 0.49 2.22 -0.67 -3.07 0.00 0.00 178.15 177.33 1q80 n ASP 16 N -3.68 2.75 -0.16 2.19 2.03 -0.72 -4.71 116.55 114.24 1q80 n ASP 16 Ca -0.01 -2.56 -0.08 0.00 0.52 0.00 0.00 54.79 52.66 1q80 n ASP 16 Cb 0.56 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 7.78 0.68 0.00 -0.67 -1.00 -1.81 -2.82 116.94 119.10 1q80 h PHE 17 Ca 0.40 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.14 1q80 h PHE 17 Cb 0.54 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1q80 h PHE 17 CO 1.40 0.57 0.00 0.38 -1.61 0.00 0.00 178.31 179.04 1q80 h ASP 18 N 0.59 0.00 -4.96 2.17 3.04 -1.85 -3.48 116.42 111.93 1q80 h ASP 18 Ca 0.15 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.54 1q80 h ASP 18 Cb 0.16 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.48 1q80 h ASP 18 CO -0.02 0.00 -0.61 1.17 -2.04 0.00 0.00 179.24 177.74 1q80 n LYS 19 N -2.48 -4.86 0.09 4.15 3.00 -1.07 -4.95 118.16 112.05 1q80 n LYS 19 Ca 0.02 0.78 0.13 0.00 -0.00 0.00 0.00 58.31 59.23 1q80 n LYS 19 Cb 0.25 -5.62 0.33 0.00 0.00 0.00 0.00 35.03 29.99 1q80 n LYS 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1q80 n ASP 20 N -2.53 0.80 0.00 3.14 -0.08 -1.26 -4.96 116.55 111.65 1q80 n ASP 20 Ca -0.07 0.45 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1q80 n ASP 20 Cb 0.59 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.52 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 1.31 0.22 3.07 0.27 0.00 -1.26 -5.09 105.19 103.71 1q80 n GLY 21 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 1.43 -0.11 4.61 0.00 -1.26 -4.07 121.76 120.37 1q80 s ALA 22 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1q80 s ALA 22 Cb 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1q80 s ALA 22 CO 0.00 0.16 1.29 0.42 0.00 0.00 0.00 175.76 177.63 1q80 s ILE 23 N 0.56 4.15 0.19 0.00 -1.09 -0.48 -4.61 121.20 119.92 1q80 s ILE 23 Ca -0.15 1.44 -0.05 0.00 -2.23 0.00 0.00 60.65 59.66 1q80 s ILE 23 Cb -0.16 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1q80 s ILE 23 CO 0.05 -0.08 0.22 0.28 -1.23 0.00 0.00 174.94 174.18 1q80 s THR 24 N 3.05 0.03 0.59 2.92 -1.32 -1.26 -0.94 115.64 118.70 1q80 s THR 24 Ca 0.58 -1.75 0.28 0.00 -1.21 0.00 0.00 61.69 59.59 1q80 s THR 24 Cb -0.25 -2.25 0.36 0.00 -1.51 0.00 0.00 72.50 68.85 1q80 s THR 24 CO 0.19 -0.12 2.10 -0.09 -2.21 0.00 0.00 174.62 174.49 1q80 h ARG 25 N 2.56 0.00 -0.67 7.08 2.43 -1.95 -2.37 114.38 121.46 1q80 h ARG 25 Ca -0.33 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.87 1q80 h ARG 25 Cb 1.24 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1q80 h ARG 25 CO 0.49 0.00 0.45 0.52 -1.51 0.00 0.00 179.97 179.92 1q80 h MET 26 N 0.00 0.82 -0.45 0.20 2.86 -1.98 -1.50 114.93 114.88 1q80 h MET 26 Ca 0.09 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1q80 h MET 26 Cb 0.48 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1q80 h MET 26 CO -0.00 0.54 0.17 0.38 1.06 0.00 0.00 176.91 179.06 1q80 h ASP 27 N 0.84 0.63 -0.33 1.22 3.04 -1.76 -1.02 116.42 119.06 1q80 h ASP 27 Ca 0.26 -0.18 -0.03 0.00 -3.24 0.00 0.00 57.03 53.85 1q80 h ASP 27 Cb 0.01 -0.17 -0.01 0.00 -1.04 0.00 0.00 39.33 38.12 1q80 h ASP 27 CO -0.07 0.64 0.10 -0.26 -2.04 0.00 0.00 179.24 177.61 1q80 h PHE 28 N 0.59 0.54 -0.72 4.15 0.04 -1.61 0.94 116.94 120.86 1q80 h PHE 28 Ca 0.15 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1q80 h PHE 28 Cb 0.21 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 1q80 h PHE 28 CO 0.00 0.54 0.37 0.93 -0.60 0.00 0.00 178.31 179.55 1q80 h GLU 29 N 0.38 1.02 -0.29 1.51 5.08 -1.27 -1.33 114.58 119.69 1q80 h GLU 29 Ca 0.11 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1q80 h GLU 29 Cb 0.26 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1q80 h GLU 29 CO -0.00 0.78 0.14 0.77 -1.00 0.00 0.00 179.01 179.70 1q80 h SER 30 N 1.00 0.38 -0.61 1.42 0.02 -1.07 -2.57 113.55 112.13 1q80 h SER 30 Ca 0.25 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1q80 h SER 30 Cb 0.08 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 1q80 h SER 30 CO -0.04 0.40 0.29 -0.03 -1.14 0.00 0.00 176.83 176.31 1q80 h MET 31 N 0.33 0.51 -0.14 3.45 1.85 -0.69 -1.43 114.93 118.81 1q80 h MET 31 Ca 0.10 -0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.19 1q80 h MET 31 Cb 0.12 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 1q80 h MET 31 CO -0.01 0.34 -0.07 0.00 -0.40 0.00 0.00 176.91 176.77 1q80 h ALA 32 N 1.36 0.05 -0.54 0.39 0.00 -1.09 -1.44 119.26 117.99 1q80 h ALA 32 Ca 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1q80 h ALA 32 Cb 0.26 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1q80 h ALA 32 CO -0.23 -0.51 0.30 1.49 0.00 0.00 0.00 179.25 180.30 1q80 h GLU 33 N -0.05 0.75 -0.07 0.00 4.57 -1.29 -0.46 114.58 118.03 1q80 h GLU 33 Ca 0.08 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1q80 h GLU 33 Cb 0.17 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1q80 h GLU 33 CO -0.17 0.58 -0.14 -0.09 -1.18 0.00 0.00 179.01 178.01 1q80 h ARG 34 N 0.72 -0.19 -0.12 1.92 9.65 -1.05 -1.44 114.38 123.87 1q80 h ARG 34 Ca 0.19 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.06 1q80 h ARG 34 Cb 0.04 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1q80 h ARG 34 CO -0.03 -0.13 -0.01 0.74 2.80 0.00 0.00 179.97 183.34 1q80 h PHE 35 N -0.20 0.24 -0.78 2.20 -1.00 -1.25 -2.47 116.94 113.68 1q80 h PHE 35 Ca 0.07 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1q80 h PHE 35 Cb 0.29 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 1q80 h PHE 35 CO -0.23 0.48 0.35 0.00 -1.61 0.00 0.00 178.31 177.30 1q80 h ALA 36 N 0.73 1.15 0.00 2.45 0.00 -1.04 -2.87 119.26 119.68 1q80 h ALA 36 Ca 0.03 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 1q80 h ALA 36 Cb 0.39 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1q80 h ALA 36 CO 0.01 0.63 -1.71 1.17 0.00 0.00 0.00 179.25 179.35 1q80 n LYS 37 N -4.30 0.63 0.00 0.00 4.81 -0.55 -4.68 118.16 114.08 1q80 n LYS 37 Ca 0.07 0.30 0.04 0.00 -0.87 0.00 0.00 58.31 57.85 1q80 n LYS 37 Cb 0.16 -1.79 0.03 0.00 0.02 0.00 0.00 35.03 33.44 1q80 n LYS 37 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1q80 n GLU 38 N -3.06 -0.02 -3.62 1.64 2.13 -0.93 -5.08 120.64 111.70 1q80 n GLU 38 Ca -0.17 -0.92 -0.24 0.00 0.66 0.00 0.00 57.16 56.49 1q80 n GLU 38 Cb 1.05 -1.14 0.02 0.00 0.27 0.00 0.00 31.44 31.64 1q80 n GLU 38 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1q80 s SER 39 N -0.59 4.77 -0.58 4.31 0.01 -1.08 -5.03 113.70 115.51 1q80 s SER 39 Ca 0.08 -1.14 -0.18 0.00 1.31 0.00 0.00 55.95 56.03 1q80 s SER 39 Cb 0.06 0.42 0.11 0.00 0.21 0.00 0.00 66.02 66.82 1q80 s SER 39 CO 0.09 -1.20 0.63 -0.70 0.41 0.00 0.00 173.24 172.47 1q80 s GLU 40 N -4.41 3.03 0.16 12.44 2.56 -1.26 -4.99 118.70 126.22 1q80 s GLU 40 Ca 0.42 -1.48 -0.12 0.00 0.00 0.00 0.00 54.97 53.80 1q80 s GLU 40 Cb -0.03 -4.28 0.01 0.00 2.00 0.00 0.00 34.13 31.82 1q80 s GLU 40 CO 0.27 -1.47 0.34 0.00 -0.56 0.00 0.00 175.26 173.84 1q80 s MET 41 N 2.27 1.16 -1.21 4.30 0.23 -1.26 -4.94 119.30 119.85 1q80 s MET 41 Ca 0.09 -1.03 -0.21 0.00 -1.03 0.00 0.00 55.69 53.51 1q80 s MET 41 Cb -0.26 0.42 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 1q80 s MET 41 CO 0.05 -0.44 1.79 0.21 -2.03 0.00 0.00 175.02 174.60 1q80 s LYS 42 N -3.91 3.32 0.00 3.16 2.47 -1.07 -4.92 119.74 118.78 1q80 s LYS 42 Ca 0.12 -1.51 0.00 0.00 -1.56 0.00 0.00 55.97 53.03 1q80 s LYS 42 Cb 0.02 -5.39 0.00 0.00 -1.46 0.00 0.00 37.83 31.01 1q80 s LYS 42 CO -0.03 -2.95 0.00 0.00 0.16 0.00 0.00 175.35 172.53 1q80 n ALA 43 N 10.96 0.00 0.31 3.13 0.00 -1.26 -1.67 120.51 131.98 1q80 n ALA 43 Ca 0.45 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.08 1q80 n ALA 43 Cb 0.47 0.00 1.04 0.00 0.00 0.00 0.00 19.45 20.96 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 0.00 0.00 4.81 -2.00 -3.13 114.58 114.26 1q80 h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1q80 h GLU 44 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1q80 h GLU 44 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.00 1q80 n HIS 45 N -3.51 0.00 -0.31 0.92 8.25 -0.67 -4.05 115.22 115.84 1q80 n HIS 45 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 1q80 n HIS 45 Cb 0.08 -0.49 0.25 0.00 1.12 0.00 0.00 29.99 30.95 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 2.54 1.39 -0.32 -1.41 0.00 -1.76 -0.65 119.26 119.06 1q80 h ALA 46 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1q80 h ALA 46 Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1q80 h ALA 46 CO 0.00 -0.07 -0.09 1.57 0.00 0.00 0.00 179.25 180.65 1q80 h LYS 47 N 0.67 0.63 -0.62 0.00 5.09 -1.88 -2.60 116.57 117.85 1q80 h LYS 47 Ca 0.50 -0.25 0.09 0.00 0.09 0.00 0.00 60.65 61.08 1q80 h LYS 47 Cb 0.72 -0.03 -0.07 0.00 0.10 0.00 0.00 32.23 32.95 1q80 h LYS 47 CO -0.37 0.82 0.26 -0.24 -2.09 0.00 0.00 179.45 177.82 1q80 h VAL 48 N 0.40 0.81 -0.15 0.07 3.04 -1.65 0.53 116.25 119.30 1q80 h VAL 48 Ca 0.08 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1q80 h VAL 48 Cb 0.59 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 1q80 h VAL 48 CO 0.03 0.08 0.10 0.25 -1.01 0.00 0.00 177.57 177.03 1q80 h LEU 49 N 0.46 0.17 -0.72 3.16 5.85 -1.17 -1.59 115.31 121.48 1q80 h LEU 49 Ca 0.31 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 1q80 h LEU 49 Cb 0.35 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1q80 h LEU 49 CO -0.28 0.12 0.26 -0.03 -0.34 0.00 0.00 178.44 178.17 1q80 h MET 50 N 0.20 1.09 -0.13 1.25 4.05 -1.04 -0.08 114.93 120.28 1q80 h MET 50 Ca 0.06 -0.21 0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1q80 h MET 50 Cb -0.02 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 30.58 1q80 h MET 50 CO -0.01 0.92 -0.08 -0.44 0.23 0.00 0.00 176.91 177.52 1q80 h ASP 51 N 1.04 -0.27 -0.18 1.39 3.32 -0.77 -0.25 116.42 120.70 1q80 h ASP 51 Ca 0.24 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1q80 h ASP 51 Cb 0.25 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1q80 h ASP 51 CO -0.01 -0.11 0.02 0.28 -1.72 0.00 0.00 179.24 177.69 1q80 h SER 52 N -0.09 0.29 -0.11 6.45 0.02 -1.23 -0.81 113.55 118.08 1q80 h SER 52 Ca 0.08 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1q80 h SER 52 Cb 0.20 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1q80 h SER 52 CO -0.18 0.50 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.94 1q80 h LEU 53 N 0.08 0.19 -0.93 5.07 3.38 -1.00 -2.51 115.31 119.60 1q80 h LEU 53 Ca 0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1q80 h LEU 53 Cb 0.34 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1q80 h LEU 53 CO 0.01 0.46 0.55 0.71 0.09 0.00 0.00 178.44 180.25 1q80 h THR 54 N -0.08 1.26 -0.98 0.22 1.35 -1.12 -3.06 112.91 110.50 1q80 h THR 54 Ca 0.03 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1q80 h THR 54 Cb 0.36 -0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 66.69 1q80 h THR 54 CO 0.01 0.27 0.62 1.23 -0.25 0.00 0.00 175.52 177.40 1q80 h GLY 55 N 1.28 1.40 0.51 5.82 0.00 -1.08 -1.53 103.07 109.47 1q80 h GLY 55 Ca 0.33 -0.55 0.08 0.00 0.00 0.00 0.00 47.33 47.19 1q80 h GLY 55 CO -0.06 0.54 0.29 -2.08 0.00 0.00 0.00 176.54 175.23 1q80 h VAL 56 N 1.34 0.85 0.41 4.60 2.07 -1.34 -0.54 116.25 123.64 1q80 h VAL 56 Ca 0.36 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1q80 h VAL 56 Cb -0.11 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1q80 h VAL 56 CO -0.07 0.09 -0.20 -0.25 0.02 0.00 0.00 177.57 177.16 1q80 h TRP 57 N 0.52 -0.52 -0.61 1.57 2.91 -1.55 -1.87 115.95 116.40 1q80 h TRP 57 Ca 0.31 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.46 1q80 h TRP 57 Cb 0.31 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 1q80 h TRP 57 CO -0.13 -0.32 0.42 -0.44 -1.03 0.00 0.00 178.44 176.95 1q80 h ASP 58 N -1.13 0.19 0.00 2.65 3.32 -1.23 -2.13 116.42 118.09 1q80 h ASP 58 Ca -0.06 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1q80 h ASP 58 Cb 0.43 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1q80 h ASP 58 CO 0.09 0.10 -1.95 0.59 -1.72 0.00 0.00 179.24 176.35 1q80 n ASN 59 N -4.43 0.54 0.04 6.45 4.13 -0.22 -4.85 115.26 116.92 1q80 n ASN 59 Ca 0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1q80 n ASN 59 Cb 0.54 1.73 0.00 0.00 -1.54 0.00 0.00 39.78 40.51 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 -2.26 -0.57 -0.07 3.10 3.72 -0.95 -4.90 117.46 115.51 1q80 n PHE 60 Ca -0.08 0.10 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 1q80 n PHE 60 Cb 0.61 0.27 0.42 0.00 -0.94 0.00 0.00 39.48 39.84 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 0.50 -1.93 4.37 3.38 -1.29 -2.98 115.31 117.36 1q80 h LEU 61 Ca 0.00 -0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.28 1q80 h LEU 61 Cb 0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1q80 h LEU 61 CO 0.00 0.33 0.79 0.74 0.09 0.00 0.00 178.44 180.39 1q80 h THR 62 N 0.57 0.45 0.00 0.22 2.02 -1.65 -2.49 112.91 112.03 1q80 h THR 62 Ca 0.23 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1q80 h THR 62 Cb 0.19 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1q80 h THR 62 CO -0.06 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.83 1q80 n ALA 63 N -2.73 1.54 0.07 6.16 0.00 -1.13 -2.25 120.51 122.18 1q80 n ALA 63 Ca 0.24 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.63 1q80 n ALA 63 Cb 1.15 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 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 0.82 -0.63 0.00 2.07 -1.68 -3.33 116.25 113.49 1q80 h VAL 64 Ca 0.00 -1.01 -0.22 0.00 0.82 0.00 0.00 66.70 66.29 1q80 h VAL 64 Cb 0.27 1.34 -0.13 0.00 -1.52 0.00 0.00 31.29 31.24 1q80 h VAL 64 CO 0.00 0.20 0.22 0.00 0.02 0.00 0.00 177.57 178.01 1q80 n ALA 65 N -2.54 4.43 -1.17 1.67 0.00 -1.25 -4.99 120.51 116.66 1q80 n ALA 65 Ca -0.08 -2.56 -0.06 0.00 0.00 0.00 0.00 53.44 50.74 1q80 n ALA 65 Cb 0.26 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.52 0.57 0.00 0.00 0.00 -1.14 -3.85 105.19 100.25 1q80 n GLY 66 Ca 0.39 0.00 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 0.60 2.56 3.94 -0.02 0.00 -0.96 -4.98 105.19 106.33 1q80 n GLY 67 Ca -0.06 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 0.68 1.37 1.61 3.01 -1.25 -4.97 119.74 120.19 1q80 s LYS 68 Ca 0.00 -0.55 -0.21 0.00 -1.01 0.00 0.00 55.97 54.20 1q80 s LYS 68 Cb 0.00 -1.91 0.34 0.00 -1.01 0.00 0.00 37.83 35.25 1q80 s LYS 68 CO 0.00 -2.34 0.83 0.41 0.51 0.00 0.00 175.35 174.75 1q80 n GLY 69 N -3.67 -3.35 2.97 -3.33 0.00 -1.26 -4.58 105.19 91.96 1q80 n GLY 69 Ca 0.16 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.17 1.52 0.74 -0.61 1.01 -0.12 -4.69 121.20 116.88 1q80 s ILE 70 Ca 0.64 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 1q80 s ILE 70 Cb -0.15 -1.62 0.04 0.00 0.01 0.00 0.00 42.46 40.75 1q80 s ILE 70 CO 0.57 0.16 1.08 -0.62 0.00 0.00 0.00 174.94 176.13 1q80 s ASP 71 N 1.45 4.83 0.20 3.58 -1.08 -1.26 -1.39 116.67 123.00 1q80 s ASP 71 Ca -0.01 1.73 -0.10 0.00 -0.52 0.00 0.00 52.55 53.65 1q80 s ASP 71 Cb -0.16 -2.50 0.13 0.00 -1.46 0.00 0.00 42.92 38.93 1q80 s ASP 71 CO -0.08 -1.81 1.82 -0.08 0.52 0.00 0.00 175.17 175.53 1q80 h GLU 72 N -0.97 0.99 -0.04 4.34 4.81 -2.00 -1.02 114.58 120.68 1q80 h GLU 72 Ca -0.44 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1q80 h GLU 72 Cb 1.22 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1q80 h GLU 72 CO 0.54 0.73 0.02 1.79 -0.73 0.00 0.00 179.01 181.36 1q80 h THR 73 N 0.98 1.05 -0.45 0.32 1.35 -1.96 -0.63 112.91 113.58 1q80 h THR 73 Ca 0.25 -0.15 0.01 0.00 -0.55 0.00 0.00 66.41 65.97 1q80 h THR 73 Cb 0.03 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 1q80 h THR 73 CO -0.04 0.04 0.29 0.71 -0.25 0.00 0.00 175.52 176.27 1q80 h THR 74 N 0.00 1.10 0.47 6.82 1.35 -1.92 0.21 112.91 120.94 1q80 h THR 74 Ca 0.01 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.65 1q80 h THR 74 Cb 0.05 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1q80 h THR 74 CO -0.00 0.11 -0.23 0.15 -0.25 0.00 0.00 175.52 175.30 1q80 h PHE 75 N 0.59 -0.59 -0.15 4.73 3.57 -1.13 -0.79 116.94 123.18 1q80 h PHE 75 Ca 0.17 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1q80 h PHE 75 Cb -0.05 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1q80 h PHE 75 CO -0.05 -0.35 0.06 0.82 -2.23 0.00 0.00 178.31 176.56 1q80 h ILE 76 N -0.65 1.15 -0.02 1.41 1.08 -1.09 -1.57 117.51 117.82 1q80 h ILE 76 Ca -0.06 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1q80 h ILE 76 Cb 0.49 1.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1q80 h ILE 76 CO 0.11 0.14 0.01 -1.13 -0.69 0.00 0.00 178.15 176.59 1q80 h ASN 77 N 0.09 0.03 -0.24 1.72 -1.24 -0.65 -1.26 115.58 114.04 1q80 h ASN 77 Ca 0.05 -0.18 0.02 0.00 0.71 0.00 0.00 56.30 56.90 1q80 h ASN 77 Cb 0.17 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 1q80 h ASN 77 CO -0.00 0.20 0.09 -1.28 -1.29 0.00 0.00 177.43 175.14 1q80 h SER 78 N -0.14 0.10 -0.42 1.15 0.87 -1.18 -2.87 113.55 111.06 1q80 h SER 78 Ca 0.01 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1q80 h SER 78 Cb 0.18 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1q80 h SER 78 CO -0.00 0.09 0.04 0.24 -0.53 0.00 0.00 176.83 176.67 1q80 h MET 79 N 0.20 0.71 -0.76 2.24 2.86 -1.30 -2.27 114.93 116.61 1q80 h MET 79 Ca 0.10 -0.21 0.11 0.00 -2.06 0.00 0.00 59.70 57.65 1q80 h MET 79 Cb 0.06 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.57 1q80 h MET 79 CO -0.10 0.77 0.37 -0.22 1.06 0.00 0.00 176.91 178.80 1q80 h LYS 80 N 0.56 0.58 0.10 1.72 3.11 -1.18 -2.39 116.57 119.06 1q80 h LYS 80 Ca 0.12 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.80 1q80 h LYS 80 Cb 0.43 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1q80 h LYS 80 CO 0.01 0.38 -0.55 1.49 -2.81 0.00 0.00 179.45 177.97 1q80 h GLU 81 N 0.60 0.20 -0.24 1.90 4.57 -1.57 -3.39 114.58 116.65 1q80 h GLU 81 Ca 0.39 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1q80 h GLU 81 Cb 0.48 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1q80 h GLU 81 CO -0.31 1.16 0.16 0.52 -1.18 0.00 0.00 179.01 179.37 1q80 h MET 82 N -0.58 0.30 0.00 1.92 2.86 -1.37 -2.64 114.93 115.42 1q80 h MET 82 Ca -0.10 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1q80 h MET 82 Cb 1.43 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1q80 h MET 82 CO 0.10 0.20 0.00 1.33 1.06 0.00 0.00 176.91 179.60 1q80 n VAL 83 N -4.50 0.92 0.00 -2.22 0.24 -0.90 -3.52 118.33 108.35 1q80 n VAL 83 Ca 0.01 0.24 -0.16 0.00 -2.04 0.00 0.00 64.34 62.39 1q80 n VAL 83 Cb 0.09 -1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 31.33 1q80 n VAL 83 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1q80 h LYS 84 N 0.00 0.70 -6.33 7.34 1.57 -1.68 -3.45 116.57 114.71 1q80 h LYS 84 Ca 0.00 -0.60 -0.54 0.00 -1.87 0.00 0.00 60.65 57.63 1q80 h LYS 84 Cb 0.30 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1q80 h LYS 84 CO 0.00 1.21 0.13 1.21 -0.57 0.00 0.00 179.45 181.43 1q80 s ASN 85 N -7.11 7.22 0.59 0.86 2.47 -1.23 -4.99 114.94 112.74 1q80 s ASN 85 Ca -0.09 1.46 0.28 0.00 0.42 0.00 0.00 52.86 54.93 1q80 s ASN 85 Cb 0.09 -2.46 1.67 0.00 -1.45 0.00 0.00 41.25 39.10 1q80 s ASN 85 CO 0.90 0.10 2.14 1.55 -3.72 0.00 0.00 177.10 178.06 1q80 h PRO 86 N 5.21 0.00 -4.73 0.43 0.13 -1.89 -3.38 132.00 127.76 1q80 h PRO 86 Ca -0.45 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 1q80 h PRO 86 Cb 1.21 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 1q80 h PRO 86 CO 0.69 0.00 -0.66 -1.21 -0.23 0.00 0.00 178.00 176.59 1q80 s GLU 87 N -4.66 2.52 0.00 0.86 0.41 -1.26 -4.53 118.70 112.04 1q80 s GLU 87 Ca -0.05 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.29 1q80 s GLU 87 Cb 0.15 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 1q80 s GLU 87 CO 0.56 -0.63 0.00 0.00 -0.49 0.00 0.00 175.26 174.69 1q80 n ALA 88 N 4.70 0.00 -0.33 5.21 0.00 -1.26 -4.98 120.51 123.86 1q80 n ALA 88 Ca -0.13 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.59 1q80 n ALA 88 Cb 0.44 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.40 1q80 n ALA 88 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1q80 n LYS 89 N 0.00 -0.06 -0.27 0.00 -0.00 -1.26 -2.37 118.16 114.19 1q80 n LYS 89 Ca 0.00 1.41 0.07 0.00 -0.00 0.00 0.00 58.31 59.79 1q80 n LYS 89 Cb 0.00 -2.45 0.31 0.00 -0.00 0.00 0.00 35.03 32.89 1q80 n LYS 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1q80 h SER 90 N 0.00 0.78 0.98 -5.58 4.64 -1.93 -0.30 113.55 112.14 1q80 h SER 90 Ca 0.79 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 62.08 1q80 h SER 90 Cb 2.00 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.94 1q80 h SER 90 CO -0.81 0.46 -0.22 1.62 -0.87 0.00 0.00 176.83 177.00 1q80 h VAL 91 N 0.86 0.53 0.19 0.95 3.04 -1.91 -1.09 116.25 118.81 1q80 h VAL 91 Ca 0.40 -1.14 -0.25 0.00 -1.01 0.00 0.00 66.70 64.70 1q80 h VAL 91 Cb 0.41 1.79 0.03 0.00 -2.01 0.00 0.00 31.29 31.51 1q80 h VAL 91 CO -0.17 0.22 -1.09 0.58 -1.01 0.00 0.00 177.57 176.10 1q80 h VAL 92 N 0.00 1.42 -0.16 1.51 2.07 -1.43 -3.37 116.25 116.29 1q80 h VAL 92 Ca -0.00 -2.60 -0.20 0.00 0.82 0.00 0.00 66.70 64.72 1q80 h VAL 92 Cb 0.77 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1q80 h VAL 92 CO 0.03 0.76 -0.69 -0.33 0.02 0.00 0.00 177.57 177.36 1q80 h GLU 93 N -0.15 0.65 -1.00 1.57 5.08 -1.08 -3.39 114.58 116.26 1q80 h GLU 93 Ca -0.19 -0.49 0.38 0.00 -1.00 0.00 0.00 59.36 58.06 1q80 h GLU 93 Cb 1.86 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 31.02 1q80 h GLU 93 CO 0.21 1.11 0.41 0.41 -1.00 0.00 0.00 179.01 180.15 1q80 n GLY 94 N 0.53 -0.89 0.27 -3.84 0.00 -0.42 -1.63 105.19 99.21 1q80 n GLY 94 Ca -0.05 0.85 0.06 0.00 0.00 0.00 0.00 46.02 46.88 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 0.18 -0.22 1.61 0.11 -1.80 -3.28 132.00 128.60 1q80 h PRO 95 Ca 0.79 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.92 1q80 h PRO 95 Cb 2.00 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 33.03 1q80 h PRO 95 CO -0.81 0.14 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.02 1q80 h LEU 96 N 0.18 -0.14 -0.66 2.35 3.38 -1.60 -1.63 115.31 117.18 1q80 h LEU 96 Ca 0.05 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1q80 h LEU 96 Cb 0.02 0.11 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1q80 h LEU 96 CO -0.01 -0.04 -0.24 -0.65 0.09 0.00 0.00 178.44 177.59 1q80 h PRO 97 N 0.04 -0.06 0.01 1.13 0.11 -1.75 -1.47 132.00 130.00 1q80 h PRO 97 Ca 0.10 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.00 1q80 h PRO 97 Cb 0.15 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 1q80 h PRO 97 CO -0.20 -0.04 -1.02 1.25 -0.21 0.00 0.00 178.00 177.78 1q80 h LEU 98 N -0.06 0.02 -0.74 2.35 6.46 -1.75 -3.30 115.31 118.28 1q80 h LEU 98 Ca 0.30 -0.03 0.08 0.00 -0.12 0.00 0.00 57.88 58.12 1q80 h LEU 98 Cb 0.53 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.39 1q80 h LEU 98 CO -0.71 1.02 0.40 -0.26 -0.62 0.00 0.00 178.44 178.27 1q80 h PHE 99 N 0.00 0.73 -0.36 1.25 0.04 -0.81 -1.64 116.94 116.15 1q80 h PHE 99 Ca -0.02 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.86 1q80 h PHE 99 Cb 1.78 -0.22 -0.08 0.00 2.20 0.00 0.00 35.95 39.63 1q80 h PHE 99 CO 0.00 0.30 -0.21 0.35 -0.60 0.00 0.00 178.31 178.16 1q80 h PHE 100 N 0.70 -0.53 0.00 -0.55 3.57 -1.39 -1.55 116.94 117.19 1q80 h PHE 100 Ca 0.36 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 1q80 h PHE 100 Cb 0.32 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1q80 h PHE 100 CO -0.08 -0.28 -0.17 -0.09 -2.23 0.00 0.00 178.31 175.45 1q80 h ARG 101 N -0.15 0.00 0.02 1.11 9.65 -1.57 -3.05 114.38 120.39 1q80 h ARG 101 Ca 0.18 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1q80 h ARG 101 Cb 0.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1q80 h ARG 101 CO -0.45 0.17 -0.01 0.00 2.80 0.00 0.00 179.97 182.48 1q80 h ALA 102 N 1.83 -0.03 0.00 2.80 0.00 -0.37 -3.29 119.26 120.20 1q80 h ALA 102 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1q80 h ALA 102 Cb 0.54 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1q80 h ALA 102 CO 0.02 -0.27 -0.03 -0.24 0.00 0.00 0.00 179.25 178.73 1q80 h VAL 103 N -0.52 0.13 0.00 0.00 3.04 -1.36 -3.42 116.25 114.12 1q80 h VAL 103 Ca -0.00 -0.40 -0.27 0.00 -1.01 0.00 0.00 66.70 65.02 1q80 h VAL 103 Cb 0.49 1.35 0.07 0.00 -2.01 0.00 0.00 31.29 31.19 1q80 h VAL 103 CO 0.01 0.03 1.04 -0.67 -1.01 0.00 0.00 177.57 176.97 1q80 n ASP 104 N -3.20 0.36 0.25 3.17 2.03 -1.16 -4.78 116.55 113.23 1q80 n ASP 104 Ca -0.01 -1.97 0.18 0.00 0.52 0.00 0.00 54.79 53.51 1q80 n ASP 104 Cb 0.23 -0.41 0.90 0.00 -0.72 0.00 0.00 41.12 41.12 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 4.47 0.34 0.00 5.18 1.03 -1.89 -1.92 112.91 120.13 1q80 h THR 105 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.52 1q80 h THR 105 Cb 0.37 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1q80 h THR 105 CO 1.35 0.00 -1.02 -0.46 -0.01 0.00 0.00 175.52 175.38 1q80 n ASN 106 N -3.57 0.88 -2.68 0.00 0.23 -1.26 -2.59 115.26 106.27 1q80 n ASN 106 Ca 0.00 -0.89 -0.12 0.00 -0.53 0.00 0.00 54.58 53.05 1q80 n ASN 106 Cb 0.28 1.08 0.06 0.00 -2.08 0.00 0.00 39.78 39.12 1q80 n ASN 106 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1q80 n GLU 107 N -1.53 -4.56 -0.04 -3.83 2.13 -0.72 -5.01 120.64 107.08 1q80 n GLU 107 Ca 0.03 0.59 -0.00 0.00 0.66 0.00 0.00 57.16 58.44 1q80 n GLU 107 Cb 0.33 -4.83 -0.11 0.00 0.27 0.00 0.00 31.44 27.11 1q80 n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1q80 n ASP 108 N -2.47 1.80 -0.00 4.31 -0.08 -1.26 -5.04 116.55 113.81 1q80 n ASP 108 Ca -0.20 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1q80 n ASP 108 Cb 0.62 1.20 -0.00 0.00 2.34 0.00 0.00 41.12 45.27 1q80 n ASP 108 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1q80 n ASN 109 N -2.25 -3.01 -3.74 1.67 0.23 -1.26 -5.06 115.26 101.83 1q80 n ASN 109 Ca -0.13 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.77 1q80 n ASN 109 Cb 0.67 -0.51 -0.16 0.00 -2.08 0.00 0.00 39.78 37.69 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 -2.69 0.26 -0.19 0.53 0.01 -1.26 -4.52 114.94 107.07 1q80 s ASN 110 Ca 0.00 0.10 -0.10 0.00 -0.71 0.00 0.00 52.86 52.16 1q80 s ASN 110 Cb 0.00 -0.02 -0.05 0.00 0.41 0.00 0.00 41.25 41.59 1q80 s ASN 110 CO 0.00 -0.16 0.13 -0.63 -1.51 0.00 0.00 177.10 174.94 1q80 s ILE 111 N 1.34 5.42 0.58 0.60 1.01 -0.74 -4.80 121.20 124.61 1q80 s ILE 111 Ca -0.06 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 1q80 s ILE 111 Cb -0.13 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.91 1q80 s ILE 111 CO -0.04 0.46 0.83 -0.94 0.00 0.00 0.00 174.94 175.25 1q80 s SER 112 N 0.22 5.29 0.19 3.58 1.04 -1.26 -0.57 113.70 122.19 1q80 s SER 112 Ca 0.09 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.63 1q80 s SER 112 Cb -0.11 -1.13 0.20 0.00 0.10 0.00 0.00 66.02 65.08 1q80 s SER 112 CO -0.01 -1.17 1.75 0.03 0.98 0.00 0.00 173.24 174.82 1q80 h ARG 113 N -0.07 0.38 -0.20 4.02 3.08 -2.00 -1.61 114.38 117.99 1q80 h ARG 113 Ca -0.44 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.45 1q80 h ARG 113 Cb 1.29 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1q80 h ARG 113 CO 0.56 0.25 -0.47 0.22 -1.07 0.00 0.00 179.97 179.46 1q80 h ASP 114 N 0.39 0.57 -0.20 7.04 3.58 -1.96 -1.52 116.42 124.32 1q80 h ASP 114 Ca 0.26 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1q80 h ASP 114 Cb 0.28 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1q80 h ASP 114 CO -0.25 0.95 0.12 -0.33 -2.88 0.00 0.00 179.24 176.85 1q80 h GLU 115 N 0.42 0.28 -0.90 0.28 5.08 -1.86 0.14 114.58 118.02 1q80 h GLU 115 Ca 0.02 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1q80 h GLU 115 Cb 0.99 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 1q80 h GLU 115 CO 0.09 0.24 0.59 -0.92 -1.00 0.00 0.00 179.01 178.01 1q80 h TYR 116 N 0.23 1.10 -0.67 4.33 3.20 -1.32 -1.67 116.97 122.17 1q80 h TYR 116 Ca 0.07 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1q80 h TYR 116 Cb 0.04 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 37.91 1q80 h TYR 116 CO -0.04 0.64 0.44 0.78 -1.64 0.00 0.00 178.16 178.34 1q80 h GLY 117 N 1.15 0.95 0.93 1.82 0.00 -0.84 -1.12 103.07 105.95 1q80 h GLY 117 Ca 0.35 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1q80 h GLY 117 CO -0.11 0.32 0.14 -2.22 0.00 0.00 0.00 176.54 174.67 1q80 h ILE 118 N 0.88 1.17 0.03 2.60 5.03 -0.45 -0.45 117.51 126.33 1q80 h ILE 118 Ca 0.25 -0.52 0.03 0.00 -0.12 0.00 0.00 64.86 64.50 1q80 h ILE 118 Cb -0.07 0.92 -0.04 0.00 -3.03 0.00 0.00 36.82 34.60 1q80 h ILE 118 CO -0.07 0.18 -0.25 0.15 -0.68 0.00 0.00 178.15 177.49 1q80 h PHE 119 N 0.37 -0.67 -0.38 1.37 3.57 -1.19 -1.72 116.94 118.29 1q80 h PHE 119 Ca 0.11 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1q80 h PHE 119 Cb 0.16 0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 1q80 h PHE 119 CO -0.01 -0.34 -0.15 0.74 -2.23 0.00 0.00 178.31 176.32 1q80 h PHE 120 N -0.40 -0.36 -0.68 0.41 -1.00 -1.10 -2.28 116.94 111.52 1q80 h PHE 120 Ca 0.05 0.04 0.09 0.00 2.81 0.00 0.00 57.97 60.96 1q80 h PHE 120 Cb 0.47 0.22 -0.07 0.00 3.61 0.00 0.00 35.95 40.18 1q80 h PHE 120 CO -0.27 -0.23 0.34 0.78 -1.61 0.00 0.00 178.31 177.32 1q80 h GLY 121 N -0.07 1.01 1.00 -1.45 0.00 -0.84 -2.78 103.07 99.94 1q80 h GLY 121 Ca 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1q80 h GLY 121 CO -0.43 0.06 0.44 -0.33 0.00 0.00 0.00 176.54 176.28 1q80 h MET 122 N 0.59 0.95 0.00 4.80 2.86 -0.76 -2.60 114.93 120.75 1q80 h MET 122 Ca 0.33 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1q80 h MET 122 Cb 0.34 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1q80 h MET 122 CO -0.26 0.66 -0.03 -0.07 1.06 0.00 0.00 176.91 178.27 1q80 h LEU 123 N 0.96 0.00 0.00 1.22 -0.00 -1.27 -3.47 115.31 112.75 1q80 h LEU 123 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1q80 h LEU 123 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1q80 h LEU 123 CO -0.05 0.03 0.00 0.61 -0.00 0.00 0.00 178.44 179.03 1q80 n GLY 124 N -1.01 0.76 3.41 0.83 0.00 -0.98 -4.98 105.19 103.21 1q80 n GLY 124 Ca -0.02 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 1.87 -0.24 0.99 1.02 -1.06 -5.02 118.68 116.23 1q80 s LEU 125 Ca 0.00 -1.53 -0.16 0.00 0.02 0.00 0.00 54.13 52.46 1q80 s LEU 125 Cb 0.00 -0.04 -0.04 0.00 0.02 0.00 0.00 46.19 46.13 1q80 s LEU 125 CO 0.00 -0.82 0.41 -0.62 0.02 0.00 0.00 176.35 175.35 1q80 s ASP 126 N -3.46 6.36 0.58 2.29 -1.08 -1.26 -4.24 116.67 115.86 1q80 s ASP 126 Ca 0.33 0.43 0.31 0.00 -0.52 0.00 0.00 52.55 53.09 1q80 s ASP 126 Cb 0.06 -2.23 1.37 0.00 -1.46 0.00 0.00 42.92 40.66 1q80 s ASP 126 CO 0.16 -0.16 1.72 0.50 0.52 0.00 0.00 175.17 177.90 1q80 h LYS 127 N 7.83 0.00 -0.87 4.34 3.64 -1.93 -2.09 116.57 127.49 1q80 h LYS 127 Ca -0.33 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.23 1q80 h LYS 127 Cb 1.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 1q80 h LYS 127 CO 0.69 0.00 0.57 0.00 -2.27 0.00 0.00 179.45 178.44 1q80 h THR 128 N 0.00 0.73 -0.00 1.00 1.03 -1.96 -2.51 112.91 111.20 1q80 h THR 128 Ca 0.39 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.63 1q80 h THR 128 Cb 1.96 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 1q80 h THR 128 CO -0.00 0.09 -0.07 1.15 -0.01 0.00 0.00 175.52 176.67 1q80 n MET 129 N -4.52 0.75 -0.08 0.00 0.00 -0.78 -4.37 117.12 108.12 1q80 n MET 129 Ca 0.18 -0.21 -0.11 0.00 0.00 0.00 0.00 57.70 57.56 1q80 n MET 129 Cb 0.62 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.30 1q80 n MET 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1q80 h ALA 130 N 3.68 0.32 -0.67 3.17 0.00 -1.65 -3.24 119.26 120.87 1q80 h ALA 130 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1q80 h ALA 130 Cb 0.31 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1q80 h ALA 130 CO 0.00 0.01 0.23 -1.35 0.00 0.00 0.00 179.25 178.14 1q80 h PRO 131 N 0.19 0.38 -0.30 0.00 0.11 -1.79 -1.23 132.00 129.36 1q80 h PRO 131 Ca 0.07 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.18 1q80 h PRO 131 Cb 0.35 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 1q80 h PRO 131 CO 0.01 0.25 0.13 0.00 -0.21 0.00 0.00 178.00 178.18 1q80 h ALA 132 N 1.48 0.36 -0.40 -0.75 0.00 -1.85 -1.34 119.26 116.75 1q80 h ALA 132 Ca 0.35 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1q80 h ALA 132 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1q80 h ALA 132 CO -0.37 -0.26 -0.22 1.03 0.00 0.00 0.00 179.25 179.42 1q80 h SER 133 N 0.28 0.83 -0.26 0.00 0.87 -1.54 -3.26 113.55 110.46 1q80 h SER 133 Ca 0.13 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1q80 h SER 133 Cb 0.07 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1q80 h SER 133 CO -0.11 1.02 0.14 0.15 -0.53 0.00 0.00 176.83 177.51 1q80 h PHE 134 N 0.71 0.27 -0.85 2.24 3.04 -0.99 -3.05 116.94 118.31 1q80 h PHE 134 Ca 0.10 0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.25 1q80 h PHE 134 Cb 0.75 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 39.12 1q80 h PHE 134 CO 0.04 0.16 0.57 -0.44 -2.02 0.00 0.00 178.31 176.61 1q80 h ASP 135 N 0.30 0.37 0.32 0.41 3.32 -1.29 -0.37 116.42 119.48 1q80 h ASP 135 Ca 0.10 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1q80 h ASP 135 Cb 0.01 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1q80 h ASP 135 CO -0.06 0.16 -0.31 0.00 -1.72 0.00 0.00 179.24 177.31 1q80 h ALA 136 N 1.62 1.47 0.07 3.45 0.00 -1.61 -3.30 119.26 120.96 1q80 h ALA 136 Ca 0.43 -0.29 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1q80 h ALA 136 Cb 1.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1q80 h ALA 136 CO -0.15 0.39 -1.87 -0.89 0.00 0.00 0.00 179.25 176.74 1q80 n ILE 137 N -4.15 1.72 -0.32 0.00 5.41 -0.44 -4.81 119.36 116.76 1q80 n ILE 137 Ca -0.02 -0.72 -0.23 0.00 1.00 0.00 0.00 62.75 62.78 1q80 n ILE 137 Cb 0.36 -1.45 -0.06 0.00 -0.71 0.00 0.00 39.64 37.78 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 -3.30 0.83 0.09 4.38 -0.08 -0.28 -4.76 116.55 113.44 1q80 n ASP 138 Ca -0.25 -2.28 -0.00 0.00 -1.51 0.00 0.00 54.79 50.75 1q80 n ASP 138 Cb 1.05 -0.56 0.30 0.00 2.34 0.00 0.00 41.12 44.24 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 4.44 1.25 0.00 5.18 2.02 -1.87 -3.02 112.91 120.91 1q80 h THR 139 Ca 0.16 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1q80 h THR 139 Cb 0.36 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1q80 h THR 139 CO 1.54 0.35 0.00 -0.46 0.37 0.00 0.00 175.52 177.33 1q80 n ASN 140 N -4.15 0.72 -0.00 4.18 0.23 -1.26 -4.96 115.26 110.02 1q80 n ASN 140 Ca -0.01 0.68 -0.00 0.00 -0.53 0.00 0.00 54.58 54.72 1q80 n ASN 140 Cb 0.37 -0.83 -0.00 0.00 -2.08 0.00 0.00 39.78 37.25 1q80 n ASN 140 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1q80 n ASN 141 N -2.29 -4.73 -0.96 0.53 0.23 -1.14 -4.94 115.26 101.97 1q80 n ASN 141 Ca 0.02 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.15 1q80 n ASN 141 Cb 0.23 -2.23 0.23 0.00 -2.08 0.00 0.00 39.78 35.94 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1q80 n ASP 142 N -0.57 3.54 0.00 0.53 8.00 -1.26 -5.00 116.55 121.78 1q80 n ASP 142 Ca -0.00 -2.20 0.00 0.00 0.71 0.00 0.00 54.79 53.30 1q80 n ASP 142 Cb 0.29 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.70 0.39 2.94 0.44 0.00 -1.26 -5.07 105.19 103.32 1q80 n GLY 143 Ca 0.18 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 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 1.69 -0.28 0.99 2.96 -1.26 -4.00 118.68 118.77 1q80 s LEU 144 Ca 0.00 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1q80 s LEU 144 Cb 0.00 -0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 1q80 s LEU 144 CO 0.00 0.02 0.20 -0.76 -1.32 0.00 0.00 176.35 174.48 1q80 s LEU 145 N 0.35 4.02 0.73 -0.68 1.43 0.26 -4.83 118.68 119.96 1q80 s LEU 145 Ca -0.04 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1q80 s LEU 145 Cb -0.08 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.11 1q80 s LEU 145 CO -0.00 -0.05 1.01 -0.94 0.23 0.00 0.00 176.35 176.60 1q80 s SER 146 N 1.75 4.43 0.22 2.29 1.04 -1.26 -1.79 113.70 120.38 1q80 s SER 146 Ca 0.07 0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.42 1q80 s SER 146 Cb -0.16 -0.49 0.24 0.00 0.10 0.00 0.00 66.02 65.71 1q80 s SER 146 CO 0.11 -1.81 1.85 0.25 0.98 0.00 0.00 173.24 174.62 1q80 h LEU 147 N -0.62 0.76 -0.26 2.42 5.85 -1.99 -2.46 115.31 119.00 1q80 h LEU 147 Ca -0.41 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1q80 h LEU 147 Cb 1.28 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1q80 h LEU 147 CO 0.47 0.52 0.06 -0.08 -0.34 0.00 0.00 178.44 179.06 1q80 h GLU 148 N 0.90 0.15 -0.22 1.25 4.81 -1.99 -1.73 114.58 117.76 1q80 h GLU 148 Ca 0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1q80 h GLU 148 Cb 0.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1q80 h GLU 148 CO -0.13 0.10 0.15 0.93 -0.73 0.00 0.00 179.01 179.33 1q80 h GLU 149 N 0.16 0.29 -0.14 1.92 5.08 -1.85 -1.59 114.58 118.46 1q80 h GLU 149 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1q80 h GLU 149 Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1q80 h GLU 149 CO -0.16 0.20 0.09 0.35 -1.00 0.00 0.00 179.01 178.49 1q80 h PHE 150 N 0.30 0.17 -0.54 4.33 3.57 -1.34 -1.46 116.94 121.97 1q80 h PHE 150 Ca 0.08 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1q80 h PHE 150 Cb -0.03 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1q80 h PHE 150 CO -0.06 0.12 0.24 -0.39 -2.23 0.00 0.00 178.31 175.98 1q80 h VAL 151 N 0.18 1.21 0.38 1.41 -1.51 -1.26 -1.50 116.25 115.15 1q80 h VAL 151 Ca 0.05 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.87 1q80 h VAL 151 Cb -0.01 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 29.76 1q80 h VAL 151 CO -0.01 0.25 -0.29 0.40 -1.23 0.00 0.00 177.57 176.69 1q80 h ILE 152 N 0.74 0.40 -0.78 7.19 2.04 -1.22 -1.63 117.51 124.26 1q80 h ILE 152 Ca 0.18 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.11 1q80 h ILE 152 Cb 0.17 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1q80 h ILE 152 CO -0.02 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.64 1q80 h ALA 153 N -0.13 1.67 0.11 1.87 0.00 -1.26 -1.49 119.26 120.02 1q80 h ALA 153 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1q80 h ALA 153 Cb 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1q80 h ALA 153 CO 0.00 0.21 -0.05 0.78 0.00 0.00 0.00 179.25 180.19 1q80 h GLY 154 N 0.82 -0.15 0.27 0.00 0.00 -1.06 0.99 103.07 103.94 1q80 h GLY 154 Ca 0.34 0.06 0.14 0.00 0.00 0.00 0.00 47.33 47.86 1q80 h GLY 154 CO -0.12 -0.05 0.47 1.48 0.00 0.00 0.00 176.54 178.32 1q80 h SER 155 N -0.22 0.59 0.20 0.19 4.64 -0.89 -1.09 113.55 116.97 1q80 h SER 155 Ca -0.01 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1q80 h SER 155 Cb 0.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1q80 h SER 155 CO 0.02 0.26 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.37 1q80 h ASP 156 N 0.68 -0.23 -0.43 4.97 3.58 -1.18 -1.07 116.42 122.75 1q80 h ASP 156 Ca 0.47 -0.26 0.08 0.00 0.42 0.00 0.00 57.03 57.74 1q80 h ASP 156 Cb 0.63 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.66 1q80 h ASP 156 CO -0.34 0.18 -0.09 0.15 -2.88 0.00 0.00 179.24 176.26 1q80 h PHE 157 N -0.68 -0.19 -0.17 0.28 3.57 -0.61 -0.69 116.94 118.45 1q80 h PHE 157 Ca -0.03 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1q80 h PHE 157 Cb 0.48 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1q80 h PHE 157 CO 0.04 -0.17 -0.32 0.74 -2.23 0.00 0.00 178.31 176.38 1q80 h PHE 158 N 0.02 0.65 0.00 0.41 0.04 -1.28 -3.40 116.94 113.37 1q80 h PHE 158 Ca 0.21 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1q80 h PHE 158 Cb 0.31 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1q80 h PHE 158 CO -0.36 0.95 -0.33 0.52 -0.60 0.00 0.00 178.31 178.49 1q80 h MET 159 N 0.16 0.00 -6.50 1.51 2.86 -1.14 -3.47 114.93 108.36 1q80 h MET 159 Ca 0.01 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.12 1q80 h MET 159 Cb 0.91 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.58 1q80 h MET 159 CO 0.07 0.44 0.60 -0.80 1.06 0.00 0.00 176.91 178.28 1q80 s ASN 160 N -6.00 7.02 0.00 1.22 0.01 -0.27 -4.97 114.94 111.96 1q80 s ASN 160 Ca -0.13 2.09 0.00 0.00 -0.71 0.00 0.00 52.86 54.10 1q80 s ASN 160 Cb 0.01 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1q80 s ASN 160 CO 0.34 -0.51 0.68 -0.67 -1.51 0.00 0.00 177.10 175.43 1q80 n ASP 161 N 3.90 1.29 -4.29 -1.22 2.03 -1.26 -4.73 116.55 112.27 1q80 n ASP 161 Ca 0.09 -1.43 -0.44 0.00 0.52 0.00 0.00 54.79 53.54 1q80 n ASP 161 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.21 3.79 7.00 0.27 0.00 -1.26 -4.87 105.19 109.90 1q80 n GLY 162 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 5.05 0.00 -1.22 1.61 2.03 -1.26 -4.99 116.55 117.77 1q80 n ASP 163 Ca 0.37 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.84 1q80 n ASP 163 Cb 0.41 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.74 1q80 n ASP 163 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1q80 n SER 164 N 6.88 -7.10 0.00 1.67 7.64 -1.26 -4.38 113.62 117.07 1q80 n SER 164 Ca 0.00 0.98 0.13 0.00 1.01 0.00 0.00 58.87 60.99 1q80 n SER 164 Cb 0.00 -4.01 0.68 0.00 -1.01 0.00 0.00 64.21 59.86 1q80 n SER 164 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1q80 n THR 165 N -4.01 0.13 0.33 0.44 -2.24 -1.26 -3.96 114.28 103.71 1q80 n THR 165 Ca -0.05 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1q80 n THR 165 Cb 0.57 -0.59 0.18 0.00 -2.10 0.00 0.00 70.33 68.39 1q80 n THR 165 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1q80 h ASN 166 N 0.00 0.00 0.00 3.42 -1.07 -1.93 -3.35 115.58 112.64 1q80 h ASN 166 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.34 1q80 h ASN 166 Cb 0.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.50 1q80 h ASN 166 CO 0.00 0.02 0.00 2.29 0.07 0.00 0.00 177.43 179.81 1q80 n LYS 167 N -2.68 0.55 -0.03 4.14 2.85 -1.25 -3.05 118.16 118.68 1q80 n LYS 167 Ca 0.03 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.30 1q80 n LYS 167 Cb 0.50 -1.22 0.01 0.00 -0.65 0.00 0.00 35.03 33.66 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 0.95 0.54 -0.32 0.58 0.24 -1.26 -5.00 118.33 114.06 1q80 n VAL 168 Ca 0.00 -0.56 0.16 0.00 -2.04 0.00 0.00 64.34 61.90 1q80 n VAL 168 Cb 0.28 0.68 0.33 0.00 -1.47 0.00 0.00 33.84 33.66 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 0.00 0.19 -0.68 6.34 3.04 -1.84 0.13 116.94 124.12 1q80 h PHE 169 Ca 0.00 0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.88 1q80 h PHE 169 Cb 0.81 0.07 -0.08 0.00 2.56 0.00 0.00 35.95 39.31 1q80 h PHE 169 CO 0.01 -0.37 0.16 0.91 -2.02 0.00 0.00 178.31 177.00 1q80 n TRP 170 N -5.37 2.34 -0.38 0.41 7.02 -1.26 -5.06 117.44 115.14 1q80 n TRP 170 Ca 0.24 -1.00 0.00 0.00 -1.02 0.00 0.00 57.50 55.72 1q80 n TRP 170 Cb 0.80 -0.62 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 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 0.20 -1.86 3.71 6.99 0.00 0.45 -4.89 105.19 109.79 1q80 n GLY 171 Ca 0.36 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 0.00 2.02 -0.94 1.61 0.02 -1.26 -4.48 135.00 131.96 1q80 s PRO 172 Ca 0.00 1.89 -0.24 0.00 0.02 0.00 0.00 61.00 62.67 1q80 s PRO 172 Cb 0.00 -1.80 -0.16 0.00 0.02 0.00 0.00 34.50 32.55 1q80 s PRO 172 CO 0.00 -1.96 1.92 1.28 -0.33 0.00 0.00 177.00 177.91 1q80 n LEU 173 N -2.71 2.83 0.00 -5.54 4.77 -1.26 -4.92 117.00 110.17 1q80 n LEU 173 Ca 0.15 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1q80 n LEU 173 Cb 0.49 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1q80 n LEU 173 CO 0.48 -1.78 0.00 0.55 -1.33 0.00 0.00 177.39 175.31