#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 -0.36 -0.13 -3.46 2.03 -1.99 -1.20 116.42 111.31 1q80 h ASP 2 Ca 0.00 0.11 0.01 0.00 -0.73 0.00 0.00 57.03 56.41 1q80 h ASP 2 Cb 0.00 0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1q80 h ASP 2 CO 0.00 -0.13 0.07 -0.07 -1.03 0.00 0.00 179.24 178.08 1q80 h LEU 3 N -0.03 0.11 -0.60 0.15 3.38 -1.99 -0.33 115.31 115.99 1q80 h LEU 3 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1q80 h LEU 3 Cb 0.27 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1q80 h LEU 3 CO -0.35 0.08 0.05 -0.25 0.09 0.00 0.00 178.44 178.06 1q80 h TRP 4 N 0.15 1.10 -0.35 1.13 7.01 -1.63 -1.52 115.95 121.85 1q80 h TRP 4 Ca 0.05 -0.17 0.05 0.00 2.11 0.00 0.00 58.89 60.93 1q80 h TRP 4 Cb 0.00 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 26.72 1q80 h TRP 4 CO -0.08 0.97 0.06 0.28 -2.79 0.00 0.00 178.44 176.87 1q80 h VAL 5 N 0.93 0.82 -0.92 2.65 2.07 -1.02 -1.40 116.25 119.37 1q80 h VAL 5 Ca 0.18 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1q80 h VAL 5 Cb 0.49 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1q80 h VAL 5 CO 0.02 0.03 0.58 1.56 0.02 0.00 0.00 177.57 179.78 1q80 h GLN 6 N 0.18 1.23 0.28 1.57 4.20 -0.95 -1.47 115.11 120.15 1q80 h GLN 6 Ca 0.17 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1q80 h GLN 6 Cb 0.19 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1q80 h GLN 6 CO -0.22 0.84 -0.14 0.87 -0.67 0.00 0.00 178.83 179.51 1q80 h LYS 7 N 1.26 -0.37 -0.90 1.46 1.57 -0.81 0.12 116.57 118.90 1q80 h LYS 7 Ca 0.33 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1q80 h LYS 7 Cb -0.09 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1q80 h LYS 7 CO -0.07 -0.17 0.59 0.00 -0.57 0.00 0.00 179.45 179.24 1q80 h MET 8 N -0.50 1.17 -0.20 3.15 -0.00 -1.26 -1.69 114.93 115.61 1q80 h MET 8 Ca -0.04 -0.07 -0.09 0.00 -0.00 0.00 0.00 59.70 59.50 1q80 h MET 8 Cb 0.37 -0.26 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1q80 h MET 8 CO 0.06 0.77 -0.26 0.87 -0.00 0.00 0.00 176.91 178.36 1q80 h LYS 9 N 1.20 0.37 0.54 -0.10 1.79 -1.26 -0.71 116.57 118.40 1q80 h LYS 9 Ca 0.33 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1q80 h LYS 9 Cb -0.12 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 1q80 h LYS 9 CO -0.08 0.60 -0.45 1.15 -1.08 0.00 0.00 179.45 179.59 1q80 h THR 10 N 0.33 0.10 -0.51 -0.16 2.02 -0.11 -0.38 112.91 114.20 1q80 h THR 10 Ca 0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.25 1q80 h THR 10 Cb 0.64 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1q80 h THR 10 CO 0.05 0.00 0.30 0.22 0.37 0.00 0.00 175.52 176.46 1q80 h TYR 11 N -0.98 0.57 0.15 3.16 3.20 -1.33 -1.51 116.97 120.24 1q80 h TYR 11 Ca -0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1q80 h TYR 11 Cb 0.83 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1q80 h TYR 11 CO -0.19 0.32 -0.08 0.35 -1.64 0.00 0.00 178.16 176.92 1q80 h PHE 12 N 0.60 -0.22 -0.81 -3.82 3.04 -1.02 0.78 116.94 115.49 1q80 h PHE 12 Ca 0.20 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1q80 h PHE 12 Cb 0.02 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 1q80 h PHE 12 CO -0.07 -0.14 0.43 -0.97 -2.02 0.00 0.00 178.31 175.55 1q80 h ASN 13 N -0.22 1.02 -0.09 0.41 -0.73 -0.98 0.63 115.58 115.62 1q80 h ASN 13 Ca -0.02 -0.09 -0.24 0.00 1.87 0.00 0.00 56.30 57.82 1q80 h ASN 13 Cb 0.18 -0.26 0.01 0.00 0.27 0.00 0.00 38.32 38.52 1q80 h ASN 13 CO 0.02 0.83 -0.87 0.03 -0.37 0.00 0.00 177.43 177.07 1q80 h ARG 14 N 1.14 0.76 0.13 6.67 2.47 -1.19 -3.37 114.38 121.00 1q80 h ARG 14 Ca 0.29 -0.69 -0.29 0.00 -1.26 0.00 0.00 59.98 58.03 1q80 h ARG 14 Cb 0.05 0.16 0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1q80 h ARG 14 CO -0.04 1.28 -1.25 0.97 0.56 0.00 0.00 179.97 181.49 1q80 h ILE 15 N 0.49 1.34 0.00 2.04 6.09 -0.80 -3.37 117.51 123.30 1q80 h ILE 15 Ca -0.08 -2.63 -0.64 0.00 -1.37 0.00 0.00 64.86 60.14 1q80 h ILE 15 Cb 1.51 2.77 0.01 0.00 0.47 0.00 0.00 36.82 41.59 1q80 h ILE 15 CO 0.18 0.79 2.84 -0.67 -3.07 0.00 0.00 178.15 178.21 1q80 n ASP 16 N -3.72 4.02 0.01 2.19 2.03 0.21 -4.78 116.55 116.51 1q80 n ASP 16 Ca -0.12 -2.69 -0.12 0.00 0.52 0.00 0.00 54.79 52.38 1q80 n ASP 16 Cb 1.00 -1.37 -0.09 0.00 -0.72 0.00 0.00 41.12 39.94 1q80 n ASP 16 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1q80 h PHE 17 N 6.65 0.01 0.00 -0.67 3.04 -1.81 -3.01 116.94 121.16 1q80 h PHE 17 Ca 0.54 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.49 1q80 h PHE 17 Cb 0.55 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1q80 h PHE 17 CO 1.49 0.27 0.00 -0.40 -2.02 0.00 0.00 178.31 177.65 1q80 n ASP 18 N -4.96 0.00 -3.21 0.41 5.68 -1.26 -4.94 116.55 108.27 1q80 n ASP 18 Ca -0.08 -1.74 -0.22 0.00 -0.50 0.00 0.00 54.79 52.26 1q80 n ASP 18 Cb 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1q80 n ASP 18 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1q80 n LYS 19 N -0.50 -3.46 0.10 0.11 -0.00 -1.14 -4.92 118.16 108.36 1q80 n LYS 19 Ca 0.00 0.54 0.12 0.00 -0.00 0.00 0.00 58.31 58.97 1q80 n LYS 19 Cb 0.00 -5.26 0.46 0.00 -0.00 0.00 0.00 35.03 30.23 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 -2.26 0.57 0.00 -5.58 -0.08 -1.26 -4.93 116.55 103.02 1q80 n ASP 20 Ca -0.04 0.62 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 1q80 n ASP 20 Cb 0.56 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 43.27 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 0.31 0.90 2.94 0.27 0.00 -1.26 -5.05 105.19 103.29 1q80 n GLY 21 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.17 -0.27 -0.47 4.61 0.00 -1.26 -3.16 121.76 118.04 1q80 s ALA 22 Ca 0.00 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 1q80 s ALA 22 Cb 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1q80 s ALA 22 CO 0.00 -0.13 1.07 0.42 0.00 0.00 0.00 175.76 177.12 1q80 s ILE 23 N 0.88 4.29 0.31 0.00 -1.09 0.20 -4.75 121.20 121.04 1q80 s ILE 23 Ca -0.07 1.06 0.04 0.00 -2.23 0.00 0.00 60.65 59.45 1q80 s ILE 23 Cb -0.09 -4.55 -0.03 0.00 -1.58 0.00 0.00 42.46 36.21 1q80 s ILE 23 CO -0.04 -0.96 0.19 0.42 -1.23 0.00 0.00 174.94 173.31 1q80 s THR 24 N 4.24 0.23 0.31 2.92 -4.23 -1.26 -1.38 115.64 116.47 1q80 s THR 24 Ca 0.44 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 1q80 s THR 24 Cb -0.08 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.57 1q80 s THR 24 CO 0.30 0.00 1.85 -0.09 -0.54 0.00 0.00 174.62 176.14 1q80 h ARG 25 N 2.18 0.85 -0.79 3.99 2.43 -1.94 -2.69 114.38 118.40 1q80 h ARG 25 Ca -0.31 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 58.89 1q80 h ARG 25 Cb 1.25 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.54 1q80 h ARG 25 CO 0.48 0.56 0.44 1.98 -1.51 0.00 0.00 179.97 181.92 1q80 h MET 26 N 0.87 0.73 -0.19 0.20 4.05 -1.97 -1.59 114.93 117.02 1q80 h MET 26 Ca 0.48 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.90 1q80 h MET 26 Cb 0.59 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 1q80 h MET 26 CO -0.25 0.48 -0.05 0.22 0.23 0.00 0.00 176.91 177.55 1q80 h ASP 27 N 0.75 -0.18 -0.63 1.39 3.58 -1.82 0.14 116.42 119.65 1q80 h ASP 27 Ca 0.38 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1q80 h ASP 27 Cb 0.34 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1q80 h ASP 27 CO -0.24 -0.06 0.40 -0.26 -2.88 0.00 0.00 179.24 176.20 1q80 h PHE 28 N -0.00 0.82 -0.55 0.28 0.04 -1.51 -0.92 116.94 115.09 1q80 h PHE 28 Ca 0.09 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 1q80 h PHE 28 Cb 0.14 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1q80 h PHE 28 CO -0.21 0.54 -0.01 0.93 -0.60 0.00 0.00 178.31 178.95 1q80 h GLU 29 N 0.86 0.98 0.52 1.51 5.08 -1.06 -1.12 114.58 121.36 1q80 h GLU 29 Ca 0.23 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1q80 h GLU 29 Cb -0.06 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1q80 h GLU 29 CO -0.05 0.99 -0.28 0.77 -1.00 0.00 0.00 179.01 179.44 1q80 h SER 30 N 0.86 -0.68 -0.78 1.42 0.02 -0.53 -2.58 113.55 111.28 1q80 h SER 30 Ca 0.16 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1q80 h SER 30 Cb 0.55 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 1q80 h SER 30 CO 0.03 -0.46 0.38 0.00 -1.14 0.00 0.00 176.83 175.64 1q80 h MET 31 N -0.74 1.14 -0.27 3.45 -0.00 -1.23 -1.75 114.93 115.52 1q80 h MET 31 Ca -0.07 -0.16 0.01 0.00 -0.00 0.00 0.00 59.70 59.49 1q80 h MET 31 Cb 0.59 -0.21 -0.02 0.00 -0.00 0.00 0.00 31.60 31.96 1q80 h MET 31 CO 0.09 0.87 0.15 0.00 -0.00 0.00 0.00 176.91 178.02 1q80 h ALA 32 N 1.29 0.33 0.06 -3.00 0.00 -1.14 0.19 119.26 116.98 1q80 h ALA 32 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1q80 h ALA 32 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1q80 h ALA 32 CO -0.04 -0.24 -0.03 1.49 0.00 0.00 0.00 179.25 180.44 1q80 h GLU 33 N 0.31 -0.07 -0.42 0.00 4.22 -1.42 -0.64 114.58 116.55 1q80 h GLU 33 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1q80 h GLU 33 Cb 0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1q80 h GLU 33 CO -0.06 0.24 0.27 -0.09 -2.18 0.00 0.00 179.01 177.18 1q80 h ARG 34 N -0.38 0.57 -0.52 1.92 9.65 -1.29 -2.60 114.38 121.73 1q80 h ARG 34 Ca -0.01 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.77 1q80 h ARG 34 Cb 0.34 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1q80 h ARG 34 CO 0.01 0.40 0.09 0.35 2.80 0.00 0.00 179.97 183.63 1q80 h PHE 35 N 0.57 0.90 -0.37 2.20 3.04 -0.69 -2.37 116.94 120.21 1q80 h PHE 35 Ca 0.15 -0.12 0.06 0.00 3.98 0.00 0.00 57.97 62.05 1q80 h PHE 35 Cb -0.03 -0.25 -0.06 0.00 2.56 0.00 0.00 35.95 38.17 1q80 h PHE 35 CO -0.04 0.81 0.02 0.00 -2.02 0.00 0.00 178.31 177.08 1q80 h ALA 36 N 0.98 0.35 0.05 2.41 0.00 -0.94 -1.83 119.26 120.29 1q80 h ALA 36 Ca 0.16 0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 1q80 h ALA 36 Cb 0.38 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1q80 h ALA 36 CO 0.01 -0.38 -1.05 1.57 0.00 0.00 0.00 179.25 179.40 1q80 h LYS 37 N 0.13 0.21 0.00 0.00 5.09 -1.51 -3.37 116.57 117.12 1q80 h LYS 37 Ca 0.18 -0.30 0.00 0.00 0.09 0.00 0.00 60.65 60.62 1q80 h LYS 37 Cb 0.24 0.10 0.00 0.00 0.10 0.00 0.00 32.23 32.67 1q80 h LYS 37 CO -0.28 1.08 -0.46 -1.91 -2.09 0.00 0.00 179.45 175.79 1q80 n GLU 38 N -3.56 0.16 -4.20 0.07 4.07 -0.89 -4.98 120.64 111.30 1q80 n GLU 38 Ca -0.05 0.06 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 1q80 n GLU 38 Cb 0.92 -1.61 -0.06 0.00 -0.06 0.00 0.00 31.44 30.62 1q80 n GLU 38 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1q80 s SER 39 N -3.69 4.98 -0.36 4.31 0.15 -0.69 -5.06 113.70 113.33 1q80 s SER 39 Ca 0.09 -0.41 -0.28 0.00 0.70 0.00 0.00 55.95 56.06 1q80 s SER 39 Cb 0.15 -1.11 0.02 0.00 -1.71 0.00 0.00 66.02 63.37 1q80 s SER 39 CO 0.68 0.03 1.01 -0.70 1.20 0.00 0.00 173.24 175.46 1q80 s GLU 40 N -3.43 3.92 0.01 5.44 -6.30 -1.26 -4.93 118.70 112.16 1q80 s GLU 40 Ca 0.30 0.79 -0.19 0.00 -2.50 0.00 0.00 54.97 53.37 1q80 s GLU 40 Cb -0.08 -3.79 0.04 0.00 0.00 0.00 0.00 34.13 30.30 1q80 s GLU 40 CO 0.21 -0.98 0.42 0.00 0.02 0.00 0.00 175.26 174.93 1q80 s MET 41 N 3.67 0.87 -0.55 4.30 0.23 -1.26 -4.88 119.30 121.68 1q80 s MET 41 Ca 0.42 -0.22 -0.28 0.00 -1.03 0.00 0.00 55.69 54.58 1q80 s MET 41 Cb -0.11 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.59 1q80 s MET 41 CO 0.19 -0.28 1.41 0.15 -2.03 0.00 0.00 175.02 174.46 1q80 s LYS 42 N -1.95 3.33 0.00 3.16 -0.14 -1.23 -4.91 119.74 117.98 1q80 s LYS 42 Ca -0.09 0.48 0.00 0.00 -1.36 0.00 0.00 55.97 55.00 1q80 s LYS 42 Cb -0.02 -4.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.02 1q80 s LYS 42 CO 0.01 -1.91 0.00 0.00 -0.76 0.00 0.00 175.35 172.70 1q80 n ALA 43 N 9.49 0.00 0.33 5.17 0.00 -1.26 -1.66 120.51 132.58 1q80 n ALA 43 Ca 0.12 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.78 1q80 n ALA 43 Cb 0.49 0.00 1.12 0.00 0.00 0.00 0.00 19.45 21.06 1q80 n ALA 43 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1q80 h GLU 44 N 0.00 0.00 0.00 0.00 5.08 -2.02 -3.29 114.58 114.34 1q80 h GLU 44 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1q80 h GLU 44 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1q80 h GLU 44 CO 0.00 0.00 0.04 0.72 -1.00 0.00 0.00 179.01 178.77 1q80 n HIS 45 N -3.07 0.01 -0.21 4.33 8.25 -0.66 -2.95 115.22 120.92 1q80 n HIS 45 Ca -0.02 0.01 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 1q80 n HIS 45 Cb 0.11 -0.47 0.03 0.00 1.12 0.00 0.00 29.99 30.78 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 1.86 0.75 -0.66 -1.41 0.00 -1.86 -1.62 119.26 116.32 1q80 h ALA 46 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1q80 h ALA 46 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1q80 h ALA 46 CO 0.00 0.29 0.15 1.57 0.00 0.00 0.00 179.25 181.26 1q80 h LYS 47 N 0.80 1.07 -0.53 0.00 5.09 -1.86 -2.60 116.57 118.53 1q80 h LYS 47 Ca 0.20 -0.26 0.03 0.00 0.09 0.00 0.00 60.65 60.71 1q80 h LYS 47 Cb 0.08 -0.14 -0.04 0.00 0.10 0.00 0.00 32.23 32.23 1q80 h LYS 47 CO -0.03 0.96 0.31 -0.24 -2.09 0.00 0.00 179.45 178.36 1q80 h VAL 48 N 0.99 1.04 -0.20 0.07 3.04 -1.68 0.66 116.25 120.16 1q80 h VAL 48 Ca 0.21 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1q80 h VAL 48 Cb 0.38 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 1q80 h VAL 48 CO 0.00 0.11 0.13 0.25 -1.01 0.00 0.00 177.57 177.05 1q80 h LEU 49 N 0.61 0.24 -0.60 3.16 5.85 -1.29 -1.54 115.31 121.74 1q80 h LEU 49 Ca 0.22 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1q80 h LEU 49 Cb 0.04 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1q80 h LEU 49 CO -0.11 0.20 0.17 -0.03 -0.34 0.00 0.00 178.44 178.33 1q80 h MET 50 N 0.26 0.94 -0.22 1.25 4.05 -1.19 -1.04 114.93 118.98 1q80 h MET 50 Ca 0.07 -0.21 0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1q80 h MET 50 Cb -0.00 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 1q80 h MET 50 CO -0.01 0.85 0.08 -0.44 0.23 0.00 0.00 176.91 177.62 1q80 h ASP 51 N 0.86 0.10 -0.14 1.39 3.32 -0.80 -0.40 116.42 120.76 1q80 h ASP 51 Ca 0.19 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1q80 h ASP 51 Cb 0.31 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1q80 h ASP 51 CO -0.00 0.09 -0.01 0.28 -1.72 0.00 0.00 179.24 177.88 1q80 h SER 52 N 0.19 0.24 -0.09 6.45 0.02 -1.25 -0.72 113.55 118.40 1q80 h SER 52 Ca 0.09 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1q80 h SER 52 Cb 0.06 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1q80 h SER 52 CO -0.09 0.51 0.01 -0.07 -1.14 0.00 0.00 176.83 176.05 1q80 h LEU 53 N -0.03 0.15 -0.80 5.07 3.38 -1.21 -2.43 115.31 119.44 1q80 h LEU 53 Ca 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1q80 h LEU 53 Cb 0.39 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1q80 h LEU 53 CO 0.01 0.38 0.46 0.71 0.09 0.00 0.00 178.44 180.09 1q80 h THR 54 N -0.09 1.23 -0.99 0.22 1.35 -1.15 -3.05 112.91 110.42 1q80 h THR 54 Ca 0.03 -0.54 0.04 0.00 -0.55 0.00 0.00 66.41 65.39 1q80 h THR 54 Cb 0.30 0.13 -0.06 0.00 -1.73 0.00 0.00 68.15 66.79 1q80 h THR 54 CO 0.00 0.25 0.65 1.23 -0.25 0.00 0.00 175.52 177.40 1q80 h GLY 55 N 1.10 1.46 0.33 5.82 0.00 -1.07 -1.50 103.07 109.22 1q80 h GLY 55 Ca 0.29 -0.49 0.08 0.00 0.00 0.00 0.00 47.33 47.20 1q80 h GLY 55 CO -0.05 0.42 0.02 -2.08 0.00 0.00 0.00 176.54 174.85 1q80 h VAL 56 N 1.25 0.69 0.47 4.60 2.07 -1.32 -0.92 116.25 123.10 1q80 h VAL 56 Ca 0.40 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.85 1q80 h VAL 56 Cb 0.02 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1q80 h VAL 56 CO -0.13 0.03 -0.23 -0.25 0.02 0.00 0.00 177.57 177.01 1q80 h TRP 57 N 0.14 -0.59 -0.37 1.57 2.91 -1.53 0.35 115.95 118.44 1q80 h TRP 57 Ca 0.22 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.29 1q80 h TRP 57 Cb 0.31 0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 29.09 1q80 h TRP 57 CO -0.26 -0.37 -0.02 -0.44 -1.03 0.00 0.00 178.44 176.32 1q80 h ASP 58 N -1.13 -0.19 0.80 2.65 5.19 -1.24 -1.45 116.42 121.06 1q80 h ASP 58 Ca -0.07 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1q80 h ASP 58 Cb 0.49 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1q80 h ASP 58 CO 0.11 -0.05 -0.80 0.59 -3.12 0.00 0.00 179.24 175.96 1q80 n ASN 59 N -5.20 0.72 0.00 6.45 3.02 -0.35 -4.69 115.26 115.20 1q80 n ASN 59 Ca 0.02 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1q80 n ASN 59 Cb 0.19 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 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 -2.22 0.00 0.31 3.10 3.72 -1.04 -4.91 117.46 116.42 1q80 n PHE 60 Ca 0.02 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.62 1q80 n PHE 60 Cb 0.47 0.20 1.06 0.00 -0.94 0.00 0.00 39.48 40.26 1q80 n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1q80 h LEU 61 N 0.00 0.00 -2.22 4.37 5.85 -0.82 -2.62 115.31 119.87 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 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1q80 h LEU 61 CO 0.00 0.00 -0.05 0.74 -0.34 0.00 0.00 178.44 178.79 1q80 h THR 62 N 0.00 0.62 0.00 1.05 2.02 -1.50 -3.14 112.91 111.96 1q80 h THR 62 Ca 0.01 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1q80 h THR 62 Cb 0.10 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1q80 h THR 62 CO -0.00 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.93 1q80 n ALA 63 N -2.34 1.42 0.32 6.16 0.00 -0.99 -1.85 120.51 123.23 1q80 n ALA 63 Ca -0.03 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1q80 n ALA 63 Cb 0.13 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 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 0.13 -0.65 0.00 2.07 -1.79 -3.30 116.25 112.70 1q80 h VAL 64 Ca 0.00 -0.36 -0.26 0.00 0.82 0.00 0.00 66.70 66.90 1q80 h VAL 64 Cb 0.20 0.18 -0.16 0.00 -1.52 0.00 0.00 31.29 29.99 1q80 h VAL 64 CO 0.00 0.02 0.25 0.00 0.02 0.00 0.00 177.57 177.86 1q80 n ALA 65 N -2.66 4.60 -1.70 1.67 0.00 -1.25 -4.99 120.51 116.19 1q80 n ALA 65 Ca -0.11 -2.70 -0.15 0.00 0.00 0.00 0.00 53.44 50.47 1q80 n ALA 65 Cb 0.35 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.73 0.93 0.00 0.00 0.00 -1.12 -3.86 105.19 100.41 1q80 n GLY 66 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.44 2.57 3.84 -0.02 0.00 -0.77 -4.98 105.19 105.40 1q80 n GLY 67 Ca -0.16 -0.32 -0.29 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 0.00 1.97 1.47 1.61 3.01 -1.25 -4.97 119.74 121.58 1q80 s LYS 68 Ca 0.00 0.36 -0.24 0.00 -1.01 0.00 0.00 55.97 55.08 1q80 s LYS 68 Cb 0.00 -1.93 0.38 0.00 -1.01 0.00 0.00 37.83 35.27 1q80 s LYS 68 CO 0.00 -1.64 0.86 0.41 0.51 0.00 0.00 175.35 175.49 1q80 n GLY 69 N -2.66 -3.91 2.77 -3.33 0.00 -1.26 -4.55 105.19 92.24 1q80 n GLY 69 Ca 0.07 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.11 0.65 0.83 -0.61 1.01 -0.48 -4.79 121.20 115.70 1q80 s ILE 70 Ca 0.66 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 1q80 s ILE 70 Cb -0.12 -1.07 0.09 0.00 0.01 0.00 0.00 42.46 41.37 1q80 s ILE 70 CO 0.56 -0.12 1.09 1.51 0.00 0.00 0.00 174.94 177.98 1q80 s ASP 71 N 1.81 4.12 0.32 3.58 -4.77 -1.26 -0.63 116.67 119.84 1q80 s ASP 71 Ca -0.01 1.54 0.03 0.00 -3.30 0.00 0.00 52.55 50.81 1q80 s ASP 71 Cb -0.17 -2.26 0.61 0.00 -1.09 0.00 0.00 42.92 40.02 1q80 s ASP 71 CO -0.07 -2.24 1.91 -0.08 0.70 0.00 0.00 175.17 175.39 1q80 h GLU 72 N -1.27 0.90 0.37 2.11 4.81 -1.97 -0.73 114.58 118.80 1q80 h GLU 72 Ca -0.47 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1q80 h GLU 72 Cb 1.26 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1q80 h GLU 72 CO 0.55 0.59 -0.21 1.15 -0.73 0.00 0.00 179.01 180.37 1q80 h THR 73 N 0.92 0.57 -0.69 0.32 2.02 -1.93 -1.12 112.91 112.99 1q80 h THR 73 Ca 0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.55 1q80 h THR 73 Cb 0.29 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1q80 h THR 73 CO -0.15 0.00 0.38 0.71 0.37 0.00 0.00 175.52 176.83 1q80 h THR 74 N -0.54 1.21 0.02 3.16 1.35 -1.90 -0.59 112.91 115.62 1q80 h THR 74 Ca -0.04 -0.54 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1q80 h THR 74 Cb 0.44 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1q80 h THR 74 CO 0.06 0.24 -0.01 0.15 -0.25 0.00 0.00 175.52 175.70 1q80 h PHE 75 N 0.95 -0.02 0.28 4.73 3.57 -1.07 -0.33 116.94 125.05 1q80 h PHE 75 Ca 0.24 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1q80 h PHE 75 Cb 0.04 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1q80 h PHE 75 CO -0.00 0.05 -0.17 0.82 -2.23 0.00 0.00 178.31 176.77 1q80 h ILE 76 N -0.09 0.64 0.44 1.41 5.03 -1.10 -1.47 117.51 122.37 1q80 h ILE 76 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.72 1q80 h ILE 76 Cb 0.08 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 34.51 1q80 h ILE 76 CO 0.00 0.00 -0.21 -1.13 -0.68 0.00 0.00 178.15 176.13 1q80 h ASN 77 N -0.43 -0.50 -0.42 1.72 -1.24 -1.14 -1.62 115.58 111.95 1q80 h ASN 77 Ca -0.03 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1q80 h ASN 77 Cb 0.36 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1q80 h ASN 77 CO 0.03 -0.29 0.28 0.77 -1.29 0.00 0.00 177.43 176.92 1q80 h SER 78 N -0.67 0.49 -0.17 1.15 4.64 -1.12 -2.75 113.55 115.12 1q80 h SER 78 Ca -0.06 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 1q80 h SER 78 Cb 0.49 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1q80 h SER 78 CO 0.10 0.36 -0.31 0.24 -0.87 0.00 0.00 176.83 176.34 1q80 h MET 79 N 0.57 0.51 -0.48 4.77 2.86 -1.33 -2.39 114.93 119.45 1q80 h MET 79 Ca 0.15 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1q80 h MET 79 Cb -0.06 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1q80 h MET 79 CO -0.03 0.93 0.26 -0.22 1.06 0.00 0.00 176.91 178.90 1q80 h LYS 80 N 0.16 0.65 0.02 1.72 1.63 -1.33 -2.23 116.57 117.19 1q80 h LYS 80 Ca 0.01 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.67 1q80 h LYS 80 Cb 0.90 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.40 1q80 h LYS 80 CO 0.07 0.49 -0.32 0.93 -3.45 0.00 0.00 179.45 177.16 1q80 h GLU 81 N 0.66 0.19 -0.53 1.90 4.39 -1.56 -3.34 114.58 116.29 1q80 h GLU 81 Ca 0.17 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1q80 h GLU 81 Cb 0.03 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1q80 h GLU 81 CO -0.03 0.99 0.35 0.52 -1.16 0.00 0.00 179.01 179.68 1q80 h MET 82 N -0.50 0.69 0.00 2.33 2.86 -1.38 -2.61 114.93 116.31 1q80 h MET 82 Ca -0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1q80 h MET 82 Cb 1.11 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1q80 h MET 82 CO 0.06 0.46 0.00 -0.39 1.06 0.00 0.00 176.91 178.10 1q80 h VAL 83 N 0.71 0.00 -0.47 -2.22 -1.51 -1.54 -3.15 116.25 108.07 1q80 h VAL 83 Ca 0.20 -0.42 -0.07 0.00 -1.23 0.00 0.00 66.70 65.17 1q80 h VAL 83 Cb -0.07 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 30.42 1q80 h VAL 83 CO -0.04 0.00 -0.00 0.11 -1.23 0.00 0.00 177.57 176.40 1q80 h LYS 84 N 0.00 0.78 -6.45 5.19 1.57 -1.58 -3.41 116.57 112.67 1q80 h LYS 84 Ca 0.00 -0.21 -0.57 0.00 -1.87 0.00 0.00 60.65 58.01 1q80 h LYS 84 Cb 0.46 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 1q80 h LYS 84 CO 0.00 0.79 0.96 1.21 -0.57 0.00 0.00 179.45 181.84 1q80 s ASN 85 N -6.65 6.63 0.67 0.86 3.84 -1.19 -4.96 114.94 114.14 1q80 s ASN 85 Ca -0.09 0.96 0.45 0.00 0.21 0.00 0.00 52.86 54.38 1q80 s ASN 85 Cb 0.15 -2.54 2.43 0.00 -0.55 0.00 0.00 41.25 40.74 1q80 s ASN 85 CO 0.81 -1.16 2.37 1.55 -2.79 0.00 0.00 177.10 177.88 1q80 h PRO 86 N 9.40 0.00 0.00 0.43 0.13 -1.87 -3.17 132.00 136.91 1q80 h PRO 86 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1q80 h PRO 86 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1q80 h PRO 86 CO 1.06 0.00 -1.29 0.39 -0.23 0.00 0.00 178.00 177.93 1q80 n GLU 87 N -3.08 0.27 0.00 0.86 -0.58 -1.26 -4.53 120.64 112.31 1q80 n GLU 87 Ca -0.03 -0.06 0.05 0.00 -0.42 0.00 0.00 57.16 56.70 1q80 n GLU 87 Cb 0.07 -1.53 0.28 0.00 -0.57 0.00 0.00 31.44 29.69 1q80 n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q80 n ALA 88 N -1.80 2.19 -0.34 0.62 0.00 -1.20 -4.49 120.51 115.49 1q80 n ALA 88 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1q80 n ALA 88 Cb 0.43 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.80 1q80 n ALA 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1q80 h LYS 89 N 0.00 -0.02 -0.11 0.00 1.57 -1.81 -2.71 116.57 113.49 1q80 h LYS 89 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1q80 h LYS 89 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1q80 h LYS 89 CO 0.00 -0.01 0.14 0.77 -0.57 0.00 0.00 179.45 179.77 1q80 h SER 90 N -0.02 0.00 0.31 0.86 0.02 -1.96 0.13 113.55 112.88 1q80 h SER 90 Ca 0.37 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.17 1q80 h SER 90 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1q80 h SER 90 CO -0.94 0.00 -0.60 -0.37 -1.14 0.00 0.00 176.83 173.78 1q80 h VAL 91 N 0.00 1.38 0.07 2.27 -1.51 -1.86 -0.05 116.25 116.55 1q80 h VAL 91 Ca 0.05 -1.96 -0.23 0.00 -1.23 0.00 0.00 66.70 63.33 1q80 h VAL 91 Cb 0.33 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1q80 h VAL 91 CO -0.00 0.58 -1.19 1.62 -1.23 0.00 0.00 177.57 177.36 1q80 h VAL 92 N 0.22 1.10 0.00 7.19 3.04 -1.44 -3.38 116.25 122.97 1q80 h VAL 92 Ca -0.01 -2.33 -0.03 0.00 -1.01 0.00 0.00 66.70 63.32 1q80 h VAL 92 Cb 1.12 2.68 -0.00 0.00 -2.01 0.00 0.00 31.29 33.07 1q80 h VAL 92 CO 0.10 0.59 -0.13 1.05 -1.01 0.00 0.00 177.57 178.17 1q80 h GLU 93 N -0.57 0.00 -1.01 4.17 -0.00 -0.91 -3.39 114.58 112.87 1q80 h GLU 93 Ca -0.28 0.00 0.42 0.00 -0.00 0.00 0.00 59.36 59.50 1q80 h GLU 93 Cb 1.54 0.00 -0.18 0.00 -0.00 0.00 0.00 28.75 30.12 1q80 h GLU 93 CO -0.02 0.13 0.55 0.41 -0.00 0.00 0.00 179.01 180.08 1q80 n GLY 94 N 0.46 -0.75 0.33 1.06 0.00 -0.03 -1.65 105.19 104.61 1q80 n GLY 94 Ca 0.01 0.80 0.22 0.00 0.00 0.00 0.00 46.02 47.06 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 -0.69 1.61 0.11 -1.86 -3.37 132.00 127.80 1q80 h PRO 95 Ca 0.85 0.00 0.15 0.00 0.11 0.00 0.00 66.00 67.11 1q80 h PRO 95 Cb 2.26 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 33.25 1q80 h PRO 95 CO -0.76 0.00 0.03 -0.07 -0.21 0.00 0.00 178.00 176.99 1q80 h LEU 96 N 0.00 -0.26 -0.90 2.35 4.07 -1.65 -1.30 115.31 117.63 1q80 h LEU 96 Ca 0.00 0.17 0.07 0.00 0.08 0.00 0.00 57.88 58.20 1q80 h LEU 96 Cb 0.06 0.29 -0.06 0.00 1.08 0.00 0.00 40.66 42.03 1q80 h LEU 96 CO 0.00 -0.13 0.56 -0.65 -1.08 0.00 0.00 178.44 177.14 1q80 h PRO 97 N 0.14 0.98 0.14 1.13 0.11 -1.85 -0.70 132.00 131.96 1q80 h PRO 97 Ca 0.37 -0.06 -0.28 0.00 0.11 0.00 0.00 66.00 66.14 1q80 h PRO 97 Cb 0.64 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1q80 h PRO 97 CO -0.58 0.65 -1.27 -0.07 -0.21 0.00 0.00 178.00 176.52 1q80 h LEU 98 N 1.01 0.48 -0.91 2.35 4.07 -1.79 -2.95 115.31 117.58 1q80 h LEU 98 Ca 0.40 -0.51 0.02 0.00 0.08 0.00 0.00 57.88 57.86 1q80 h LEU 98 Cb 0.20 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 1q80 h LEU 98 CO -0.18 1.40 0.60 -0.26 -1.08 0.00 0.00 178.44 178.92 1q80 h PHE 99 N 0.09 1.13 -0.22 1.13 0.04 -1.10 -1.32 116.94 116.68 1q80 h PHE 99 Ca -0.15 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.70 1q80 h PHE 99 Cb 1.99 -0.38 -0.05 0.00 2.20 0.00 0.00 35.95 39.71 1q80 h PHE 99 CO 0.07 0.68 -0.11 0.35 -0.60 0.00 0.00 178.31 178.70 1q80 h PHE 100 N 1.19 -0.27 -0.13 -0.55 3.57 -1.20 -1.48 116.94 118.08 1q80 h PHE 100 Ca 0.35 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 1q80 h PHE 100 Cb -0.07 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1q80 h PHE 100 CO -0.01 -0.17 -0.09 -0.09 -2.23 0.00 0.00 178.31 175.72 1q80 h ARG 101 N -0.09 0.20 -0.34 1.11 9.65 -1.31 -2.66 114.38 120.95 1q80 h ARG 101 Ca 0.12 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.88 1q80 h ARG 101 Cb 0.27 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1q80 h ARG 101 CO -0.28 0.30 -0.12 0.00 2.80 0.00 0.00 179.97 182.67 1q80 h ALA 102 N 1.72 0.48 0.00 2.80 0.00 -0.78 -3.20 119.26 120.28 1q80 h ALA 102 Ca 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1q80 h ALA 102 Cb 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1q80 h ALA 102 CO 0.01 0.36 -0.15 0.28 0.00 0.00 0.00 179.25 179.75 1q80 h VAL 103 N 0.47 0.62 0.00 0.00 2.07 -1.11 -3.40 116.25 114.90 1q80 h VAL 103 Ca 0.08 -0.68 -0.16 0.00 0.82 0.00 0.00 66.70 66.76 1q80 h VAL 103 Cb 0.64 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1q80 h VAL 103 CO 0.04 0.15 1.63 -0.67 0.02 0.00 0.00 177.57 178.74 1q80 n ASP 104 N -3.64 2.12 0.00 0.57 2.03 -1.02 -4.75 116.55 111.86 1q80 n ASP 104 Ca -0.01 -2.12 0.00 0.00 0.52 0.00 0.00 54.79 53.18 1q80 n ASP 104 Cb 0.28 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1q80 n ASP 104 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1q80 n THR 105 N 4.55 1.96 0.55 5.18 5.66 -1.26 -1.75 114.28 129.17 1q80 n THR 105 Ca 0.19 0.50 0.07 0.00 -3.05 0.00 0.00 64.05 61.75 1q80 n THR 105 Cb 0.07 -1.50 -0.08 0.00 -1.55 0.00 0.00 70.33 67.27 1q80 n THR 105 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1q80 n ASN 106 N -1.49 0.82 -2.26 1.09 0.23 -1.26 -3.58 115.26 108.80 1q80 n ASN 106 Ca 0.00 -0.70 -0.10 0.00 -0.53 0.00 0.00 54.58 53.25 1q80 n ASN 106 Cb 0.00 1.10 0.05 0.00 -2.08 0.00 0.00 39.78 38.85 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 -1.43 -3.72 -0.06 -3.83 4.07 -0.72 -4.97 120.64 109.99 1q80 n GLU 107 Ca 0.02 0.45 -0.05 0.00 -0.06 0.00 0.00 57.16 57.52 1q80 n GLU 107 Cb 0.24 -4.30 -0.11 0.00 -0.06 0.00 0.00 31.44 27.21 1q80 n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1q80 n ASP 108 N -1.84 1.71 -0.01 4.31 -0.08 -1.26 -5.04 116.55 114.34 1q80 n ASP 108 Ca -0.12 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1q80 n ASP 108 Cb 0.58 0.94 -0.00 0.00 2.34 0.00 0.00 41.12 44.98 1q80 n ASP 108 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1q80 n ASN 109 N -2.43 -2.98 -3.80 1.67 5.15 -1.26 -5.06 115.26 106.54 1q80 n ASN 109 Ca -0.19 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.67 1q80 n ASN 109 Cb 0.86 -0.52 -0.13 0.00 -0.53 0.00 0.00 39.78 39.47 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 -0.17 -0.31 1.20 0.01 -1.26 -4.68 114.94 106.72 1q80 s ASN 110 Ca 0.00 0.34 -0.12 0.00 -0.71 0.00 0.00 52.86 52.37 1q80 s ASN 110 Cb 0.00 0.33 -0.03 0.00 0.41 0.00 0.00 41.25 41.96 1q80 s ASN 110 CO 0.00 -0.07 0.22 -0.63 -1.51 0.00 0.00 177.10 175.11 1q80 s ILE 111 N 0.24 5.29 0.47 0.60 1.01 -0.32 -4.88 121.20 123.62 1q80 s ILE 111 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.68 1q80 s ILE 111 Cb -0.03 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.84 1q80 s ILE 111 CO -0.01 0.10 0.65 -0.94 0.00 0.00 0.00 174.94 174.74 1q80 s SER 112 N 1.74 5.46 0.33 3.58 1.04 -1.26 -0.93 113.70 123.65 1q80 s SER 112 Ca 0.07 -0.57 0.10 0.00 0.48 0.00 0.00 55.95 56.02 1q80 s SER 112 Cb -0.17 -0.32 0.97 0.00 0.10 0.00 0.00 66.02 66.61 1q80 s SER 112 CO 0.11 -0.97 1.61 0.08 0.98 0.00 0.00 173.24 175.05 1q80 h ARG 113 N 0.48 0.12 -0.03 4.02 0.11 -1.99 -1.62 114.38 115.48 1q80 h ARG 113 Ca -0.36 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.69 1q80 h ARG 113 Cb 1.28 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 1q80 h ARG 113 CO 0.44 0.08 -0.04 -0.44 0.10 0.00 0.00 179.97 180.11 1q80 h ASP 114 N 0.13 0.08 -0.55 0.08 3.32 -1.98 -0.93 116.42 116.57 1q80 h ASP 114 Ca 0.68 -0.54 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1q80 h ASP 114 Cb 1.57 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 41.07 1q80 h ASP 114 CO -0.74 0.60 0.27 -0.33 -1.72 0.00 0.00 179.24 177.32 1q80 h GLU 115 N -0.43 0.79 -0.35 3.56 3.07 -1.79 -1.17 114.58 118.25 1q80 h GLU 115 Ca 0.00 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 1q80 h GLU 115 Cb 0.58 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1q80 h GLU 115 CO 0.01 0.64 0.03 -0.92 -1.40 0.00 0.00 179.01 177.37 1q80 h TYR 116 N 0.74 0.64 -0.36 4.33 3.20 -1.39 -1.49 116.97 122.64 1q80 h TYR 116 Ca 0.19 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1q80 h TYR 116 Cb 0.11 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1q80 h TYR 116 CO -0.00 0.68 0.20 0.78 -1.64 0.00 0.00 178.16 178.17 1q80 h GLY 117 N 0.41 0.49 0.96 1.82 0.00 -1.07 -1.65 103.07 104.04 1q80 h GLY 117 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1q80 h GLY 117 CO 0.01 0.12 0.21 -2.22 0.00 0.00 0.00 176.54 174.66 1q80 h ILE 118 N 0.40 1.19 -0.21 2.60 5.03 -1.24 -1.57 117.51 123.71 1q80 h ILE 118 Ca 0.14 -0.57 0.05 0.00 -0.12 0.00 0.00 64.86 64.37 1q80 h ILE 118 Cb 0.03 0.72 -0.06 0.00 -3.03 0.00 0.00 36.82 34.48 1q80 h ILE 118 CO -0.08 0.22 -0.15 0.15 -0.68 0.00 0.00 178.15 177.60 1q80 h PHE 119 N 0.60 -0.38 -0.14 1.37 3.57 -1.06 -0.08 116.94 120.81 1q80 h PHE 119 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1q80 h PHE 119 Cb 0.15 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1q80 h PHE 119 CO -0.00 -0.22 0.06 0.74 -2.23 0.00 0.00 178.31 176.66 1q80 h PHE 120 N -0.15 0.21 -0.44 0.41 -1.00 -1.23 -2.38 116.94 112.36 1q80 h PHE 120 Ca 0.12 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.92 1q80 h PHE 120 Cb 0.33 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.79 1q80 h PHE 120 CO -0.31 0.26 0.23 0.78 -1.61 0.00 0.00 178.31 177.67 1q80 h GLY 121 N 0.09 0.61 1.00 -1.45 0.00 -1.14 -1.93 103.07 100.26 1q80 h GLY 121 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1q80 h GLY 121 CO -0.01 0.12 0.15 -0.33 0.00 0.00 0.00 176.54 176.48 1q80 h MET 122 N 0.47 0.90 0.00 4.80 2.86 -1.01 -2.97 114.93 119.98 1q80 h MET 122 Ca 0.19 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1q80 h MET 122 Cb 0.08 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1q80 h MET 122 CO -0.12 0.83 0.00 -0.07 1.06 0.00 0.00 176.91 178.61 1q80 h LEU 123 N 0.80 0.00 0.00 1.22 3.38 -1.43 -3.46 115.31 115.82 1q80 h LEU 123 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1q80 h LEU 123 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1q80 h LEU 123 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1q80 n GLY 124 N -0.78 1.19 3.63 0.83 0.00 -1.12 -4.99 105.19 103.95 1q80 n GLY 124 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 2.07 -0.12 0.99 2.01 -0.73 -5.04 118.68 117.86 1q80 s LEU 125 Ca 0.00 -1.73 -0.07 0.00 0.01 0.00 0.00 54.13 52.34 1q80 s LEU 125 Cb 0.00 -0.31 -0.04 0.00 0.01 0.00 0.00 46.19 45.85 1q80 s LEU 125 CO 0.00 -0.97 0.15 -0.62 1.01 0.00 0.00 176.35 175.92 1q80 s ASP 126 N -3.74 6.40 0.38 2.29 2.15 -1.26 -4.08 116.67 118.80 1q80 s ASP 126 Ca 0.13 0.48 0.19 0.00 0.43 0.00 0.00 52.55 53.78 1q80 s ASP 126 Cb 0.01 -2.08 1.14 0.00 -0.30 0.00 0.00 42.92 41.69 1q80 s ASP 126 CO 0.09 0.40 1.70 0.11 -0.17 0.00 0.00 175.17 177.31 1q80 h LYS 127 N 4.99 0.32 -0.24 4.34 1.57 -1.91 -1.71 116.57 123.93 1q80 h LYS 127 Ca -0.55 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.28 1q80 h LYS 127 Cb 1.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1q80 h LYS 127 CO 0.58 0.21 0.31 1.79 -0.57 0.00 0.00 179.45 181.78 1q80 h THR 128 N 0.33 0.34 -0.52 -0.16 1.35 -1.97 -2.05 112.91 110.24 1q80 h THR 128 Ca 0.69 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 66.43 1q80 h THR 128 Cb 1.75 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1q80 h THR 128 CO -0.43 0.00 -0.13 0.24 -0.25 0.00 0.00 175.52 174.95 1q80 h MET 129 N 0.00 0.99 -0.18 4.72 2.86 -1.73 -3.37 114.93 118.22 1q80 h MET 129 Ca 0.12 -0.38 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1q80 h MET 129 Cb 0.74 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 1q80 h MET 129 CO -0.00 1.06 -0.21 0.00 1.06 0.00 0.00 176.91 178.82 1q80 h ALA 130 N 0.90 -0.12 -0.22 6.32 0.00 -1.55 -2.11 119.26 122.49 1q80 h ALA 130 Ca 0.13 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1q80 h ALA 130 Cb 0.69 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1q80 h ALA 130 CO 0.05 -0.65 -0.18 -1.35 0.00 0.00 0.00 179.25 177.12 1q80 h PRO 131 N -0.24 -0.18 -0.78 0.00 0.11 -1.73 0.40 132.00 129.58 1q80 h PRO 131 Ca 0.12 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.25 1q80 h PRO 131 Cb 0.41 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 1q80 h PRO 131 CO -0.32 -0.12 0.51 0.00 -0.21 0.00 0.00 178.00 177.86 1q80 h ALA 132 N 0.93 1.00 -0.37 -0.75 0.00 -1.75 -1.51 119.26 116.81 1q80 h ALA 132 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1q80 h ALA 132 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1q80 h ALA 132 CO -0.34 0.37 -0.19 1.03 0.00 0.00 0.00 179.25 180.12 1q80 h SER 133 N 1.03 0.70 -0.37 0.00 0.87 -1.17 -3.21 113.55 111.40 1q80 h SER 133 Ca 0.29 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1q80 h SER 133 Cb -0.08 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1q80 h SER 133 CO -0.08 0.89 0.16 0.15 -0.53 0.00 0.00 176.83 177.41 1q80 h PHE 134 N 0.62 0.55 -0.89 2.24 3.04 -0.56 -3.18 116.94 118.77 1q80 h PHE 134 Ca 0.09 -0.04 0.14 0.00 3.98 0.00 0.00 57.97 62.15 1q80 h PHE 134 Cb 0.66 -0.17 -0.09 0.00 2.56 0.00 0.00 35.95 38.91 1q80 h PHE 134 CO 0.03 0.50 0.49 -0.44 -2.02 0.00 0.00 178.31 176.87 1q80 h ASP 135 N 0.45 0.63 0.28 0.41 3.32 -1.29 -1.25 116.42 118.98 1q80 h ASP 135 Ca 0.12 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1q80 h ASP 135 Cb 0.17 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1q80 h ASP 135 CO -0.01 0.28 -0.21 0.00 -1.72 0.00 0.00 179.24 177.58 1q80 h ALA 136 N 1.56 1.50 0.10 3.45 0.00 -1.56 -3.32 119.26 120.99 1q80 h ALA 136 Ca 0.48 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.87 1q80 h ALA 136 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1q80 h ALA 136 CO -0.34 0.26 -1.81 -0.89 0.00 0.00 0.00 179.25 176.47 1q80 n ILE 137 N -4.07 1.73 -1.18 0.00 5.41 -0.74 -4.81 119.36 115.69 1q80 n ILE 137 Ca -0.02 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.90 1q80 n ILE 137 Cb 0.28 -1.82 -0.10 0.00 -0.71 0.00 0.00 39.64 37.29 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 -3.72 1.62 0.05 4.38 -0.08 -0.55 -4.79 116.55 113.46 1q80 n ASP 138 Ca -0.32 -2.55 0.01 0.00 -1.51 0.00 0.00 54.79 50.42 1q80 n ASP 138 Cb 0.96 -1.18 0.33 0.00 2.34 0.00 0.00 41.12 43.57 1q80 n ASP 138 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1q80 h THR 139 N 5.65 1.19 0.00 5.18 2.02 -1.88 -2.89 112.91 122.19 1q80 h THR 139 Ca 0.19 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1q80 h THR 139 Cb 0.83 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1q80 h THR 139 CO 1.57 0.26 -0.00 -0.55 0.37 0.00 0.00 175.52 177.17 1q80 h ASN 140 N 0.39 0.00 -5.50 4.18 7.08 -1.91 -3.49 115.58 116.33 1q80 h ASN 140 Ca 0.08 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 52.98 1q80 h ASN 140 Cb 0.36 0.00 0.16 0.00 -2.08 0.00 0.00 38.32 36.77 1q80 h ASN 140 CO 0.02 0.00 -0.73 0.59 -2.08 0.00 0.00 177.43 175.23 1q80 n ASN 141 N -3.10 -2.17 -0.05 6.14 5.03 -1.09 -4.99 115.26 115.02 1q80 n ASN 141 Ca 0.01 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1q80 n ASN 141 Cb 0.35 -4.93 0.00 0.00 -1.02 0.00 0.00 39.78 34.18 1q80 n ASN 141 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1q80 n ASP 142 N -3.03 0.24 0.00 6.41 2.03 -1.26 -5.06 116.55 115.88 1q80 n ASP 142 Ca -0.27 -1.24 0.00 0.00 0.52 0.00 0.00 54.79 53.80 1q80 n ASP 142 Cb 0.66 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1q80 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q80 n GLY 143 N -0.07 0.38 2.86 0.27 0.00 -1.26 -5.07 105.19 102.30 1q80 n GLY 143 Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 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 0.64 -0.34 0.99 2.96 -1.26 -4.40 118.68 117.26 1q80 s LEU 144 Ca 0.00 0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 54.01 1q80 s LEU 144 Cb 0.00 0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.89 1q80 s LEU 144 CO 0.00 -0.17 0.25 -0.76 -1.32 0.00 0.00 176.35 174.35 1q80 s LEU 145 N 1.39 4.53 0.83 -0.68 1.43 -0.11 -4.91 118.68 121.16 1q80 s LEU 145 Ca -0.06 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1q80 s LEU 145 Cb -0.12 -2.15 0.16 0.00 0.03 0.00 0.00 46.19 44.12 1q80 s LEU 145 CO -0.05 -0.24 1.14 -0.94 0.23 0.00 0.00 176.35 176.49 1q80 s SER 146 N 1.72 3.77 0.17 2.29 1.04 -1.26 -1.17 113.70 120.26 1q80 s SER 146 Ca 0.06 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.20 1q80 s SER 146 Cb -0.17 -0.06 0.10 0.00 0.10 0.00 0.00 66.02 65.98 1q80 s SER 146 CO 0.11 -2.27 1.77 0.25 0.98 0.00 0.00 173.24 174.08 1q80 h LEU 147 N -1.02 0.25 -0.45 2.42 5.85 -1.99 -2.55 115.31 117.83 1q80 h LEU 147 Ca -0.39 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1q80 h LEU 147 Cb 1.25 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 1q80 h LEU 147 CO 0.38 0.18 0.11 -0.08 -0.34 0.00 0.00 178.44 178.69 1q80 h GLU 148 N 0.38 0.25 -0.18 1.25 4.57 -2.00 -1.64 114.58 117.22 1q80 h GLU 148 Ca 0.19 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1q80 h GLU 148 Cb 0.13 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1q80 h GLU 148 CO -0.16 0.17 0.09 0.93 -1.18 0.00 0.00 179.01 178.85 1q80 h GLU 149 N 0.26 0.27 -0.45 1.92 3.07 -1.85 -1.63 114.58 116.16 1q80 h GLU 149 Ca 0.22 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 1q80 h GLU 149 Cb 0.26 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1q80 h GLU 149 CO -0.26 0.30 0.29 0.35 -1.40 0.00 0.00 179.01 178.29 1q80 h PHE 150 N 0.17 0.54 -0.28 4.33 3.57 -1.32 -1.35 116.94 122.60 1q80 h PHE 150 Ca 0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1q80 h PHE 150 Cb 0.12 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1q80 h PHE 150 CO -0.02 0.33 0.03 -0.39 -2.23 0.00 0.00 178.31 176.03 1q80 h VAL 151 N 0.58 1.24 0.32 1.41 -1.51 -1.26 -1.50 116.25 115.53 1q80 h VAL 151 Ca 0.17 -0.83 -0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1q80 h VAL 151 Cb -0.05 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1q80 h VAL 151 CO -0.05 0.27 -0.26 0.40 -1.23 0.00 0.00 177.57 176.70 1q80 h ILE 152 N 0.28 0.45 -0.25 7.19 2.04 -1.24 -1.49 117.51 124.49 1q80 h ILE 152 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1q80 h ILE 152 Cb 0.36 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1q80 h ILE 152 CO 0.01 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.18 1q80 h ALA 153 N 0.01 0.23 -0.71 1.87 0.00 -1.29 -1.48 119.26 117.89 1q80 h ALA 153 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1q80 h ALA 153 Cb 0.52 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1q80 h ALA 153 CO -0.02 -0.40 0.37 0.78 0.00 0.00 0.00 179.25 179.98 1q80 h GLY 154 N 0.10 1.06 0.96 0.00 0.00 -1.26 -1.74 103.07 102.18 1q80 h GLY 154 Ca 0.12 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1q80 h GLY 154 CO -0.18 0.46 0.19 1.48 0.00 0.00 0.00 176.54 178.50 1q80 h SER 155 N 0.99 0.33 -0.06 0.19 4.64 -0.92 -2.23 113.55 116.49 1q80 h SER 155 Ca 0.25 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.59 1q80 h SER 155 Cb 0.05 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1q80 h SER 155 CO -0.04 0.24 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.27 1q80 h ASP 156 N 0.40 -0.31 -0.52 4.97 3.58 -0.96 0.15 116.42 123.72 1q80 h ASP 156 Ca 0.12 0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.73 1q80 h ASP 156 Cb -0.02 0.15 -0.10 0.00 1.72 0.00 0.00 39.33 41.08 1q80 h ASP 156 CO -0.04 -0.15 -0.13 0.15 -2.88 0.00 0.00 179.24 176.19 1q80 h PHE 157 N -0.15 -0.28 0.11 0.28 3.57 -1.23 -1.62 116.94 117.62 1q80 h PHE 157 Ca 0.06 0.05 -0.21 0.00 3.53 0.00 0.00 57.97 61.40 1q80 h PHE 157 Cb 0.23 0.20 0.02 0.00 2.79 0.00 0.00 35.95 39.20 1q80 h PHE 157 CO -0.19 -0.23 -0.88 0.74 -2.23 0.00 0.00 178.31 175.52 1q80 h PHE 158 N -0.00 0.67 0.16 0.41 0.04 -1.26 -3.41 116.94 113.54 1q80 h PHE 158 Ca 0.25 -0.44 -0.32 0.00 2.80 0.00 0.00 57.97 60.26 1q80 h PHE 158 Cb 0.38 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.50 1q80 h PHE 158 CO -0.44 1.32 -1.51 0.00 -0.60 0.00 0.00 178.31 177.07 1q80 h MET 159 N -0.17 0.34 -6.11 1.51 -0.00 -0.68 -3.45 114.93 106.37 1q80 h MET 159 Ca -0.14 -0.58 -0.57 0.00 -0.00 0.00 0.00 59.70 58.41 1q80 h MET 159 Cb 1.65 0.21 -0.10 0.00 -0.00 0.00 0.00 31.60 33.36 1q80 h MET 159 CO 0.17 1.23 0.87 -0.80 -0.00 0.00 0.00 176.91 178.39 1q80 s ASN 160 N -7.19 6.21 0.29 -0.10 0.01 -0.61 -4.93 114.94 108.63 1q80 s ASN 160 Ca -0.09 -0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 51.54 1q80 s ASN 160 Cb 0.06 -2.51 0.43 0.00 0.41 0.00 0.00 41.25 39.64 1q80 s ASN 160 CO 0.88 -1.64 1.86 -0.78 -1.51 0.00 0.00 177.10 175.90 1q80 h ASP 161 N 9.79 0.77 -2.58 -1.22 1.82 -1.87 -3.41 116.42 119.72 1q80 h ASP 161 Ca -0.28 -0.12 -0.68 0.00 -0.39 0.00 0.00 57.03 55.57 1q80 h ASP 161 Cb 1.06 -0.20 -0.17 0.00 0.68 0.00 0.00 39.33 40.70 1q80 h ASP 161 CO 1.23 0.72 0.64 -0.83 -1.61 0.00 0.00 179.24 179.39 1q80 s GLY 162 N -3.61 1.76 0.00 -0.78 0.00 -1.26 -3.70 107.32 99.73 1q80 s GLY 162 Ca -0.10 -2.44 0.00 0.00 0.00 0.00 0.00 44.72 42.18 1q80 s GLY 162 CO 0.79 1.96 0.00 1.34 0.00 0.00 0.00 173.10 177.19 1q80 n ASP 163 N 6.80 0.00 -0.71 1.64 2.03 -1.26 -4.98 116.55 120.07 1q80 n ASP 163 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1q80 n ASP 163 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1q80 n ASP 163 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1q80 n SER 164 N 2.55 -4.65 0.13 1.67 3.41 -1.26 -4.47 113.62 111.00 1q80 n SER 164 Ca 0.00 0.53 0.02 0.00 -0.26 0.00 0.00 58.87 59.16 1q80 n SER 164 Cb 0.00 -1.41 0.36 0.00 -0.26 0.00 0.00 64.21 62.90 1q80 n SER 164 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1q80 h THR 165 N 1.00 1.21 -0.02 6.66 1.35 -1.95 -2.76 112.91 118.40 1q80 h THR 165 Ca 0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1q80 h THR 165 Cb 0.00 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1q80 h THR 165 CO 0.00 0.30 0.00 0.59 -0.25 0.00 0.00 175.52 176.16 1q80 n ASN 166 N -4.20 0.95 -0.14 5.36 4.13 -1.26 -4.30 115.26 115.80 1q80 n ASN 166 Ca -0.01 -2.03 0.10 0.00 1.68 0.00 0.00 54.58 54.32 1q80 n ASN 166 Cb 0.33 -0.40 0.44 0.00 -1.54 0.00 0.00 39.78 38.61 1q80 n ASN 166 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1q80 h LYS 167 N 0.16 0.54 -0.89 3.52 2.10 -1.71 -2.23 116.57 118.05 1q80 h LYS 167 Ca 0.00 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 1q80 h LYS 167 Cb 0.44 -0.12 -0.08 0.00 -0.90 0.00 0.00 32.23 31.57 1q80 h LYS 167 CO 0.01 0.36 0.16 1.33 -2.00 0.00 0.00 179.45 179.31 1q80 n VAL 168 N -4.48 1.74 -0.14 0.07 0.24 -1.26 -4.56 118.33 109.94 1q80 n VAL 168 Ca 0.11 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 1q80 n VAL 168 Cb 0.34 -0.56 0.26 0.00 -1.47 0.00 0.00 33.84 32.42 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 1.26 0.81 -0.25 6.34 3.04 -1.73 -3.18 116.94 123.22 1q80 h PHE 169 Ca 0.16 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1q80 h PHE 169 Cb 1.58 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.83 1q80 h PHE 169 CO 0.67 0.58 0.00 0.91 -2.02 0.00 0.00 178.31 178.45 1q80 n TRP 170 N -4.38 0.77 0.00 0.41 7.02 -1.26 -5.09 117.44 114.91 1q80 n TRP 170 Ca 0.05 -0.81 0.00 0.00 -1.02 0.00 0.00 57.50 55.72 1q80 n TRP 170 Cb 0.11 -0.25 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 -0.41 0.02 3.78 6.99 0.00 -1.20 -4.93 105.19 109.45 1q80 n GLY 171 Ca 0.19 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.47 2.76 -0.32 1.61 0.04 -1.26 -4.37 135.00 132.99 1q80 s PRO 172 Ca 0.00 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 1q80 s PRO 172 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1q80 s PRO 172 CO 0.00 -1.26 2.08 -0.51 0.04 0.00 0.00 177.00 177.35 1q80 s LEU 173 N -5.25 3.44 0.00 -3.56 1.43 -1.26 -4.94 118.68 108.55 1q80 s LEU 173 Ca 0.63 1.47 0.13 0.00 -1.03 0.00 0.00 54.13 55.33 1q80 s LEU 173 Cb -0.17 -3.31 0.77 0.00 0.03 0.00 0.00 46.19 43.50 1q80 s LEU 173 CO 0.48 -2.03 1.19 1.33 0.23 0.00 0.00 176.35 177.54