#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 -1.06 -0.72 4.04 5.19 -1.99 -1.43 116.42 120.45 1q80 h ASP 2 Ca 0.00 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1q80 h ASP 2 Cb 0.00 0.39 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1q80 h ASP 2 CO 0.00 -0.46 0.34 0.25 -3.12 0.00 0.00 179.24 176.25 1q80 h LEU 3 N -0.63 0.95 0.20 1.55 5.85 -1.94 -1.60 115.31 119.70 1q80 h LEU 3 Ca 0.02 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1q80 h LEU 3 Cb 0.64 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1q80 h LEU 3 CO -0.19 0.82 -0.10 -0.25 -0.34 0.00 0.00 178.44 178.38 1q80 h TRP 4 N 1.01 -0.25 -0.72 1.25 7.01 -1.83 -1.45 115.95 120.96 1q80 h TRP 4 Ca 0.25 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.21 1q80 h TRP 4 Cb 0.13 0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1q80 h TRP 4 CO 0.01 -0.13 0.34 -0.24 -2.79 0.00 0.00 178.44 175.63 1q80 h VAL 5 N -0.31 1.23 -0.32 2.65 3.04 -1.26 -1.53 116.25 119.76 1q80 h VAL 5 Ca -0.03 -0.65 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 1q80 h VAL 5 Cb 0.24 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1q80 h VAL 5 CO 0.05 0.27 0.17 1.56 -1.01 0.00 0.00 177.57 178.61 1q80 h GLN 6 N 1.02 0.44 -0.31 4.17 4.20 -1.17 0.40 115.11 123.85 1q80 h GLN 6 Ca 0.25 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1q80 h GLN 6 Cb 0.11 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1q80 h GLN 6 CO -0.03 0.38 0.01 0.87 -0.67 0.00 0.00 178.83 179.39 1q80 h LYS 7 N 0.39 0.54 -0.80 1.46 1.57 -1.15 -1.14 116.57 117.43 1q80 h LYS 7 Ca 0.11 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1q80 h LYS 7 Cb 0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1q80 h LYS 7 CO -0.02 0.67 0.42 0.52 -0.57 0.00 0.00 179.45 180.47 1q80 h MET 8 N 0.35 1.13 -0.38 3.15 2.86 -1.28 -1.75 114.93 119.01 1q80 h MET 8 Ca 0.09 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1q80 h MET 8 Cb 0.41 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1q80 h MET 8 CO 0.01 0.85 0.25 0.87 1.06 0.00 0.00 176.91 179.95 1q80 h LYS 9 N 1.12 0.50 0.21 1.72 1.79 -0.87 -0.69 116.57 120.36 1q80 h LYS 9 Ca 0.28 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.73 1q80 h LYS 9 Cb 0.06 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 1q80 h LYS 9 CO -0.04 0.34 -0.52 1.15 -1.08 0.00 0.00 179.45 179.30 1q80 h THR 10 N 0.51 0.02 -0.53 -0.16 2.02 -0.90 -2.17 112.91 111.69 1q80 h THR 10 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1q80 h THR 10 Cb -0.05 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.35 1q80 h THR 10 CO -0.03 0.00 0.20 0.22 0.37 0.00 0.00 175.52 176.28 1q80 h TYR 11 N -0.81 0.83 0.98 3.16 3.20 -1.33 -1.05 116.97 121.95 1q80 h TYR 11 Ca -0.02 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 1q80 h TYR 11 Cb 0.78 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.82 1q80 h TYR 11 CO -0.40 0.69 -0.47 0.35 -1.64 0.00 0.00 178.16 176.69 1q80 h PHE 12 N 0.73 -1.22 -0.52 -3.82 3.57 -1.08 -0.13 116.94 114.47 1q80 h PHE 12 Ca 0.18 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1q80 h PHE 12 Cb 0.22 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1q80 h PHE 12 CO 0.01 -0.76 0.13 -0.91 -2.23 0.00 0.00 178.31 174.55 1q80 h ASN 13 N -1.35 0.73 0.34 0.41 4.21 -1.47 -2.00 115.58 116.45 1q80 h ASN 13 Ca -0.13 -0.12 -0.33 0.00 1.21 0.00 0.00 56.30 56.93 1q80 h ASN 13 Cb 1.01 -0.19 0.03 0.00 -1.12 0.00 0.00 38.32 38.05 1q80 h ASN 13 CO 0.22 0.71 -1.44 0.03 -1.29 0.00 0.00 177.43 175.67 1q80 h ARG 14 N 0.76 0.49 0.00 0.81 3.08 -1.24 -3.33 114.38 114.95 1q80 h ARG 14 Ca 0.17 -0.83 -0.04 0.00 0.07 0.00 0.00 59.98 59.34 1q80 h ARG 14 Cb 0.27 0.31 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1q80 h ARG 14 CO -0.00 1.40 -0.21 0.97 -1.07 0.00 0.00 179.97 181.06 1q80 h ILE 15 N 0.13 0.59 -0.02 2.04 6.09 -1.00 -3.41 117.51 121.93 1q80 h ILE 15 Ca -0.23 -0.97 -0.38 0.00 -1.37 0.00 0.00 64.86 61.90 1q80 h ILE 15 Cb 2.13 1.65 0.10 0.00 0.47 0.00 0.00 36.82 41.17 1q80 h ILE 15 CO 0.26 0.20 0.94 -0.67 -3.07 0.00 0.00 178.15 175.81 1q80 n ASP 16 N -3.48 0.90 -0.23 2.19 2.03 -0.76 -4.80 116.55 112.40 1q80 n ASP 16 Ca -0.01 -2.36 -0.07 0.00 0.52 0.00 0.00 54.79 52.88 1q80 n ASP 16 Cb 0.38 -0.81 0.04 0.00 -0.72 0.00 0.00 41.12 40.00 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 10.27 0.94 0.00 -0.67 3.04 -1.86 -3.03 116.94 125.63 1q80 h PHE 17 Ca 0.17 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1q80 h PHE 17 Cb 0.78 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1q80 h PHE 17 CO 1.02 0.72 0.00 -0.40 -2.02 0.00 0.00 178.31 177.63 1q80 n ASP 18 N -4.46 0.18 -2.45 0.41 5.68 -1.26 -4.96 116.55 109.69 1q80 n ASP 18 Ca 0.04 0.54 -0.19 0.00 -0.50 0.00 0.00 54.79 54.69 1q80 n ASP 18 Cb 0.14 -0.58 0.02 0.00 -1.14 0.00 0.00 41.12 39.55 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 -1.70 -3.18 0.05 0.11 4.76 -1.15 -4.97 118.16 112.08 1q80 n LYS 19 Ca 0.03 0.84 0.09 0.00 -2.87 0.00 0.00 58.31 56.40 1q80 n LYS 19 Cb 0.19 -5.44 -0.08 0.00 -1.84 0.00 0.00 35.03 27.87 1q80 n LYS 19 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1q80 n ASP 20 N -1.81 0.53 0.00 4.39 -0.08 -1.26 -5.01 116.55 113.31 1q80 n ASP 20 Ca -0.15 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1q80 n ASP 20 Cb 0.63 0.95 0.00 0.00 2.34 0.00 0.00 41.12 45.04 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 1.26 0.45 2.81 0.27 0.00 -1.26 -5.09 105.19 103.63 1q80 n GLY 21 Ca -0.04 0.00 -0.17 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 0.30 -0.06 4.61 0.00 -1.26 -4.28 121.76 119.06 1q80 s ALA 22 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 1q80 s ALA 22 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1q80 s ALA 22 CO 0.00 -0.10 1.32 0.42 0.00 0.00 0.00 175.76 177.40 1q80 s ILE 23 N 1.08 4.03 0.32 0.00 -1.09 -0.79 -4.50 121.20 120.25 1q80 s ILE 23 Ca -0.09 1.34 0.03 0.00 -2.23 0.00 0.00 60.65 59.70 1q80 s ILE 23 Cb -0.13 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1q80 s ILE 23 CO -0.02 -0.04 0.10 0.42 -1.23 0.00 0.00 174.94 174.17 1q80 s THR 24 N 2.72 0.77 0.52 2.92 -4.23 -1.26 -1.28 115.64 115.80 1q80 s THR 24 Ca 0.60 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.30 1q80 s THR 24 Cb -0.27 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 71.24 1q80 s THR 24 CO 0.22 0.00 2.14 -0.09 -0.54 0.00 0.00 174.62 176.36 1q80 h ARG 25 N 2.12 0.00 -0.71 3.99 2.43 -1.90 -2.95 114.38 117.36 1q80 h ARG 25 Ca -0.38 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.87 1q80 h ARG 25 Cb 1.25 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 1q80 h ARG 25 CO 0.62 0.04 0.47 0.52 -1.51 0.00 0.00 179.97 180.10 1q80 h MET 26 N 0.00 0.63 0.27 0.20 2.86 -1.97 -1.68 114.93 115.25 1q80 h MET 26 Ca -0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1q80 h MET 26 Cb 0.08 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1q80 h MET 26 CO 0.01 0.42 -0.19 0.22 1.06 0.00 0.00 176.91 178.43 1q80 h ASP 27 N 0.65 -0.48 -0.30 1.22 1.82 -1.91 0.29 116.42 117.71 1q80 h ASP 27 Ca 0.32 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.97 1q80 h ASP 27 Cb 0.39 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1q80 h ASP 27 CO -0.11 -0.29 0.10 -0.26 -1.61 0.00 0.00 179.24 177.07 1q80 h PHE 28 N -0.45 0.48 -0.67 0.28 0.04 -1.65 0.10 116.94 115.08 1q80 h PHE 28 Ca -0.02 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1q80 h PHE 28 Cb 0.39 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 1q80 h PHE 28 CO -0.11 0.50 0.33 0.93 -0.60 0.00 0.00 178.31 179.36 1q80 h GLU 29 N 0.33 0.96 -0.26 1.51 5.08 -1.33 -1.48 114.58 119.38 1q80 h GLU 29 Ca 0.10 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1q80 h GLU 29 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1q80 h GLU 29 CO -0.00 0.76 0.07 0.77 -1.00 0.00 0.00 179.01 179.60 1q80 h SER 30 N 0.93 0.39 -0.76 1.42 0.02 -0.84 -2.57 113.55 112.14 1q80 h SER 30 Ca 0.23 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1q80 h SER 30 Cb 0.11 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1q80 h SER 30 CO -0.03 0.51 0.47 -0.03 -1.14 0.00 0.00 176.83 176.61 1q80 h MET 31 N 0.25 0.87 -0.18 3.45 1.85 -0.91 -1.45 114.93 118.81 1q80 h MET 31 Ca 0.08 -0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.13 1q80 h MET 31 Cb 0.27 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 1q80 h MET 31 CO 0.00 0.58 0.09 0.00 -0.40 0.00 0.00 176.91 177.18 1q80 h ALA 32 N 1.34 0.22 0.01 0.39 0.00 -1.20 -1.17 119.26 118.86 1q80 h ALA 32 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1q80 h ALA 32 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1q80 h ALA 32 CO -0.13 -0.33 -0.01 1.49 0.00 0.00 0.00 179.25 180.27 1q80 h GLU 33 N 0.20 -0.02 -0.35 0.00 4.22 -1.30 0.13 114.58 117.46 1q80 h GLU 33 Ca 0.07 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.58 1q80 h GLU 33 Cb 0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1q80 h GLU 33 CO -0.05 0.03 -0.01 0.00 -2.18 0.00 0.00 179.01 176.81 1q80 h ARG 34 N -0.06 0.08 0.10 1.92 -0.00 -1.22 -1.29 114.38 113.91 1q80 h ARG 34 Ca -0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1q80 h ARG 34 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.01 1q80 h ARG 34 CO 0.00 0.06 -0.05 0.35 0.00 0.00 0.00 179.97 180.33 1q80 h PHE 35 N 0.09 -0.12 -0.99 3.04 3.04 -1.21 -2.60 116.94 118.19 1q80 h PHE 35 Ca 0.17 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.23 1q80 h PHE 35 Cb 0.24 0.04 -0.08 0.00 2.56 0.00 0.00 35.95 38.70 1q80 h PHE 35 CO -0.25 0.17 0.61 0.00 -2.02 0.00 0.00 178.31 176.82 1q80 h ALA 36 N 0.45 1.48 0.13 2.41 0.00 -0.79 -1.79 119.26 121.16 1q80 h ALA 36 Ca -0.01 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1q80 h ALA 36 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1q80 h ALA 36 CO 0.02 0.22 -1.41 0.87 0.00 0.00 0.00 179.25 178.95 1q80 h LYS 37 N 0.98 0.27 0.00 0.00 1.79 -1.32 -3.41 116.57 114.88 1q80 h LYS 37 Ca 0.49 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1q80 h LYS 37 Cb 0.47 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1q80 h LYS 37 CO -0.26 1.22 -0.84 0.93 -1.08 0.00 0.00 179.45 179.42 1q80 h GLU 38 N -0.25 0.00 -6.19 3.15 3.07 -1.51 -3.48 114.58 109.38 1q80 h GLU 38 Ca -0.29 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.09 1q80 h GLU 38 Cb 1.80 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.70 1q80 h GLU 38 CO 0.09 0.00 -0.45 0.45 -1.40 0.00 0.00 179.01 177.70 1q80 s SER 39 N -4.94 6.17 -0.18 1.42 0.15 -0.67 -5.08 113.70 110.57 1q80 s SER 39 Ca 0.02 0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.47 1q80 s SER 39 Cb 0.11 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.62 1q80 s SER 39 CO 0.76 -0.06 0.65 -0.70 1.20 0.00 0.00 173.24 175.09 1q80 s GLU 40 N -3.93 4.24 0.15 5.44 2.12 -1.26 -4.84 118.70 120.62 1q80 s GLU 40 Ca 0.34 0.67 -0.12 0.00 0.36 0.00 0.00 54.97 56.22 1q80 s GLU 40 Cb -0.09 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.75 1q80 s GLU 40 CO 0.28 -0.21 0.33 0.00 -0.54 0.00 0.00 175.26 175.13 1q80 s MET 41 N 1.78 1.13 0.45 4.30 0.23 -1.26 -4.84 119.30 121.10 1q80 s MET 41 Ca 0.30 -1.00 -0.21 0.00 -1.03 0.00 0.00 55.69 53.75 1q80 s MET 41 Cb -0.16 0.41 -0.09 0.00 -1.53 0.00 0.00 34.83 33.46 1q80 s MET 41 CO 0.11 -0.43 1.01 0.15 -2.03 0.00 0.00 175.02 173.84 1q80 s LYS 42 N -3.90 3.99 0.25 3.16 -0.14 -1.25 -4.98 119.74 116.88 1q80 s LYS 42 Ca 0.11 1.30 -0.06 0.00 -1.36 0.00 0.00 55.97 55.96 1q80 s LYS 42 Cb 0.02 -2.19 0.44 0.00 -1.68 0.00 0.00 37.83 34.42 1q80 s LYS 42 CO -0.05 -0.26 1.40 0.00 -0.76 0.00 0.00 175.35 175.69 1q80 n ALA 43 N -0.72 0.24 0.27 5.17 0.00 -1.26 -1.25 120.51 122.96 1q80 n ALA 43 Ca 0.08 0.98 0.15 0.00 0.00 0.00 0.00 53.44 54.66 1q80 n ALA 43 Cb 0.53 -0.60 0.75 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.05 0.00 4.57 -2.01 -3.32 114.58 113.77 1q80 h GLU 44 Ca 0.44 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.64 1q80 h GLU 44 Cb 0.70 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1q80 h GLU 44 CO -0.92 0.08 0.04 1.25 -1.18 0.00 0.00 179.01 178.29 1q80 h HIS 45 N 0.00 0.00 -0.54 0.92 2.76 -1.54 -3.26 115.15 113.50 1q80 h HIS 45 Ca -0.00 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1q80 h HIS 45 Cb 0.41 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 1q80 h HIS 45 CO 0.00 0.00 0.26 0.00 -1.30 0.00 0.00 177.93 176.89 1q80 h ALA 46 N 1.97 0.69 -0.51 5.26 0.00 -1.76 0.14 119.26 125.04 1q80 h ALA 46 Ca 0.02 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1q80 h ALA 46 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1q80 h ALA 46 CO -0.00 -0.09 -0.12 1.57 0.00 0.00 0.00 179.25 180.61 1q80 h LYS 47 N 0.51 0.99 -0.69 0.00 2.10 -1.86 -2.84 116.57 114.76 1q80 h LYS 47 Ca 0.24 -0.38 0.04 0.00 -2.00 0.00 0.00 60.65 58.56 1q80 h LYS 47 Cb 0.18 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.40 1q80 h LYS 47 CO -0.18 1.05 0.42 -0.24 -2.00 0.00 0.00 179.45 178.50 1q80 h VAL 48 N 0.85 1.05 0.11 0.07 3.04 -1.57 -0.62 116.25 119.19 1q80 h VAL 48 Ca 0.13 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.54 1q80 h VAL 48 Cb 0.68 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1q80 h VAL 48 CO 0.05 0.15 -0.05 0.25 -1.01 0.00 0.00 177.57 176.95 1q80 h LEU 49 N 0.80 -0.13 -0.54 3.16 5.85 -0.99 -1.23 115.31 122.24 1q80 h LEU 49 Ca 0.29 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1q80 h LEU 49 Cb 0.09 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1q80 h LEU 49 CO -0.14 0.07 0.22 -0.03 -0.34 0.00 0.00 178.44 178.22 1q80 h MET 50 N -0.32 0.79 -0.27 1.25 4.05 -1.44 -1.38 114.93 117.60 1q80 h MET 50 Ca -0.02 -0.14 0.05 0.00 -0.28 0.00 0.00 59.70 59.32 1q80 h MET 50 Cb 0.27 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 30.88 1q80 h MET 50 CO 0.03 0.69 -0.04 0.22 0.23 0.00 0.00 176.91 178.03 1q80 h ASP 51 N 0.72 -0.20 -0.17 1.39 3.58 -1.11 0.32 116.42 120.96 1q80 h ASP 51 Ca 0.18 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 1q80 h ASP 51 Cb 0.18 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1q80 h ASP 51 CO -0.02 -0.07 -0.04 0.28 -2.88 0.00 0.00 179.24 176.51 1q80 h SER 52 N 0.03 0.33 -0.12 2.28 0.02 -1.18 -0.53 113.55 114.39 1q80 h SER 52 Ca 0.13 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 1q80 h SER 52 Cb 0.19 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1q80 h SER 52 CO -0.26 0.62 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.90 1q80 h LEU 53 N 0.03 0.28 -1.12 5.07 3.38 -1.25 -3.09 115.31 118.60 1q80 h LEU 53 Ca 0.04 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1q80 h LEU 53 Cb 0.48 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1q80 h LEU 53 CO 0.02 0.67 0.23 0.71 0.09 0.00 0.00 178.44 180.16 1q80 h THR 54 N -0.11 1.21 -0.67 0.22 1.35 -1.03 -3.02 112.91 110.86 1q80 h THR 54 Ca 0.02 -0.66 0.09 0.00 -0.55 0.00 0.00 66.41 65.31 1q80 h THR 54 Cb 0.58 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.47 1q80 h THR 54 CO 0.02 0.26 0.45 1.23 -0.25 0.00 0.00 175.52 177.23 1q80 h GLY 55 N 0.96 0.79 0.44 5.82 0.00 -1.07 -0.30 103.07 109.72 1q80 h GLY 55 Ca 0.20 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.36 1q80 h GLY 55 CO -0.02 0.15 0.02 -2.08 0.00 0.00 0.00 176.54 174.62 1q80 h VAL 56 N 0.58 0.75 0.30 4.60 2.07 -1.45 -0.65 116.25 122.44 1q80 h VAL 56 Ca 0.30 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1q80 h VAL 56 Cb 0.43 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1q80 h VAL 56 CO -0.10 0.02 -0.14 -0.25 0.02 0.00 0.00 177.57 177.12 1q80 h TRP 57 N 0.13 -0.37 -0.90 1.57 2.91 -1.59 0.23 115.95 117.92 1q80 h TRP 57 Ca 0.18 -0.01 0.17 0.00 1.13 0.00 0.00 58.89 60.37 1q80 h TRP 57 Cb 0.24 0.12 -0.07 0.00 -0.51 0.00 0.00 29.16 28.94 1q80 h TRP 57 CO -0.24 -0.23 0.59 -0.44 -1.03 0.00 0.00 178.44 177.09 1q80 h ASP 58 N -1.10 0.56 0.00 2.65 5.19 -1.07 -2.30 116.42 120.35 1q80 h ASP 58 Ca -0.04 0.05 -0.21 0.00 -0.62 0.00 0.00 57.03 56.21 1q80 h ASP 58 Cb 0.31 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.72 1q80 h ASP 58 CO 0.07 0.25 -2.19 0.59 -3.12 0.00 0.00 179.24 174.84 1q80 n ASN 59 N -4.56 0.15 0.06 6.45 3.02 -0.26 -4.83 115.26 115.29 1q80 n ASN 59 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1q80 n ASN 59 Cb 0.58 1.40 0.00 0.00 -0.61 0.00 0.00 39.78 41.15 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 -2.52 -0.57 0.47 3.10 3.72 -1.10 -4.89 117.46 115.68 1q80 n PHE 60 Ca -0.20 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1q80 n PHE 60 Cb 0.89 0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 1q80 n PHE 60 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1q80 n LEU 61 N -3.23 3.69 -0.07 4.37 7.94 0.05 -3.86 117.00 125.89 1q80 n LEU 61 Ca 0.00 -1.76 -0.09 0.00 -1.11 0.00 0.00 56.01 53.05 1q80 n LEU 61 Cb 0.00 -0.69 -0.07 0.00 0.53 0.00 0.00 43.42 43.19 1q80 n LEU 61 CO 0.00 0.65 -0.94 0.41 -1.11 0.00 0.00 177.39 176.40 1q80 n THR 62 N 0.86 0.78 0.11 1.96 -1.04 -0.89 -4.63 114.28 111.43 1q80 n THR 62 Ca 0.00 -0.31 0.01 0.00 -2.04 0.00 0.00 64.05 61.71 1q80 n THR 62 Cb 0.48 -0.96 0.06 0.00 -1.82 0.00 0.00 70.33 68.09 1q80 n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q80 n ALA 63 N -2.86 1.25 -0.04 2.41 0.00 -1.25 -2.59 120.51 117.43 1q80 n ALA 63 Ca -0.24 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1q80 n ALA 63 Cb 0.77 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 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 1.49 -0.45 0.00 2.07 -1.87 -3.41 116.25 114.09 1q80 h VAL 64 Ca 0.00 -1.81 -0.30 0.00 0.82 0.00 0.00 66.70 65.41 1q80 h VAL 64 Cb 0.03 2.66 -0.39 0.00 -1.52 0.00 0.00 31.29 32.07 1q80 h VAL 64 CO 0.00 0.45 -1.01 0.00 0.02 0.00 0.00 177.57 177.03 1q80 n ALA 65 N -2.54 3.19 -0.28 1.67 0.00 -1.23 -5.06 120.51 116.27 1q80 n ALA 65 Ca -0.09 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1q80 n ALA 65 Cb 0.37 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.53 1.79 0.00 0.00 0.00 -1.07 -2.66 105.19 102.72 1q80 n GLY 66 Ca 0.16 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1q80 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q80 n GLY 67 N 0.00 0.08 3.95 -0.02 0.00 -1.26 -4.58 105.19 103.37 1q80 n GLY 67 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.58 1.05 1.61 1.02 -1.09 -4.65 119.74 119.26 1q80 s LYS 68 Ca 0.00 -0.63 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 1q80 s LYS 68 Cb 0.00 -2.15 0.17 0.00 -0.52 0.00 0.00 37.83 35.34 1q80 s LYS 68 CO 0.00 -1.63 0.76 0.41 -0.92 0.00 0.00 175.35 173.96 1q80 n GLY 69 N -3.11 -1.64 2.94 -3.33 0.00 -1.26 -4.68 105.19 94.11 1q80 n GLY 69 Ca 0.13 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.44 1.33 1.06 -0.61 1.01 -0.40 -4.79 121.20 116.37 1q80 s ILE 70 Ca 0.64 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 1q80 s ILE 70 Cb -0.22 -1.42 0.22 0.00 0.01 0.00 0.00 42.46 41.06 1q80 s ILE 70 CO 0.64 0.22 1.10 1.51 0.00 0.00 0.00 174.94 178.41 1q80 s ASP 71 N 1.55 2.07 0.22 3.58 1.47 -1.26 -1.89 116.67 122.41 1q80 s ASP 71 Ca 0.01 1.01 -0.08 0.00 1.18 0.00 0.00 52.55 54.67 1q80 s ASP 71 Cb -0.15 -1.56 0.19 0.00 -0.34 0.00 0.00 42.92 41.06 1q80 s ASP 71 CO -0.08 -3.46 1.87 -0.08 0.68 0.00 0.00 175.17 174.10 1q80 h GLU 72 N -2.12 1.17 0.25 2.11 4.81 -2.00 -1.07 114.58 117.74 1q80 h GLU 72 Ca -0.52 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1q80 h GLU 72 Cb 1.32 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1q80 h GLU 72 CO 0.51 0.82 -0.21 1.15 -0.73 0.00 0.00 179.01 180.56 1q80 h THR 73 N 1.18 0.55 -0.69 0.32 2.02 -1.97 -0.50 112.91 113.82 1q80 h THR 73 Ca 0.31 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 1q80 h THR 73 Cb -0.04 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1q80 h THR 73 CO -0.06 0.00 0.36 0.71 0.37 0.00 0.00 175.52 176.90 1q80 h THR 74 N -0.48 1.22 0.25 3.16 1.35 -1.92 0.48 112.91 116.97 1q80 h THR 74 Ca -0.01 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1q80 h THR 74 Cb 0.43 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1q80 h THR 74 CO -0.02 0.25 -0.12 0.15 -0.25 0.00 0.00 175.52 175.52 1q80 h PHE 75 N 0.95 -0.31 -0.49 4.73 3.57 -1.12 -1.10 116.94 123.16 1q80 h PHE 75 Ca 0.24 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1q80 h PHE 75 Cb 0.07 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1q80 h PHE 75 CO -0.00 -0.07 0.25 0.82 -2.23 0.00 0.00 178.31 177.07 1q80 h ILE 76 N -0.51 1.19 -0.00 1.41 1.08 -1.05 -1.61 117.51 118.00 1q80 h ILE 76 Ca -0.03 -0.51 -0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1q80 h ILE 76 Cb 0.38 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.75 1q80 h ILE 76 CO 0.06 0.20 0.00 -1.13 -0.69 0.00 0.00 178.15 176.59 1q80 h ASN 77 N 0.66 0.01 -0.26 1.72 -1.24 -0.94 -1.12 115.58 114.40 1q80 h ASN 77 Ca 0.17 -0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1q80 h ASN 77 Cb 0.10 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1q80 h ASN 77 CO -0.02 0.14 0.13 -1.28 -1.29 0.00 0.00 177.43 175.11 1q80 h SER 78 N -0.13 0.20 -0.55 1.15 0.87 -1.18 -1.40 113.55 112.51 1q80 h SER 78 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1q80 h SER 78 Cb 0.13 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1q80 h SER 78 CO -0.00 0.15 0.31 0.24 -0.53 0.00 0.00 176.83 177.00 1q80 h MET 79 N 0.28 0.76 -0.62 2.24 2.86 -1.32 -2.55 114.93 116.57 1q80 h MET 79 Ca 0.11 -0.08 0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1q80 h MET 79 Cb 0.03 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.47 1q80 h MET 79 CO -0.07 0.58 0.27 -0.22 1.06 0.00 0.00 176.91 178.52 1q80 h LYS 80 N 0.73 0.46 -0.04 1.72 3.11 -1.01 -2.20 116.57 119.34 1q80 h LYS 80 Ca 0.19 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 58.00 1q80 h LYS 80 Cb 0.03 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1q80 h LYS 80 CO -0.03 0.31 0.01 0.93 -2.81 0.00 0.00 179.45 177.85 1q80 h GLU 81 N 0.48 0.07 -1.00 1.90 4.39 -1.16 -3.17 114.58 116.09 1q80 h GLU 81 Ca 0.31 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.03 1q80 h GLU 81 Cb 0.34 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.92 1q80 h GLU 81 CO -0.27 0.27 0.65 0.52 -1.16 0.00 0.00 179.01 179.02 1q80 h MET 82 N -0.14 1.20 0.00 2.33 2.86 -1.33 -2.63 114.93 117.22 1q80 h MET 82 Ca 0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1q80 h MET 82 Cb 0.23 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1q80 h MET 82 CO 0.00 0.79 0.00 1.33 1.06 0.00 0.00 176.91 180.09 1q80 n VAL 83 N -4.47 0.01 -0.32 -2.22 0.24 -0.84 -4.13 118.33 106.61 1q80 n VAL 83 Ca 0.14 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.50 1q80 n VAL 83 Cb 0.12 -0.54 0.21 0.00 -1.47 0.00 0.00 33.84 32.16 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 0.78 -5.40 7.34 1.57 -1.44 -3.36 116.57 116.07 1q80 h LYS 84 Ca 0.00 -0.05 -0.65 0.00 -1.87 0.00 0.00 60.65 58.09 1q80 h LYS 84 Cb 0.02 -0.18 -0.15 0.00 0.08 0.00 0.00 32.23 32.01 1q80 h LYS 84 CO 0.00 0.52 0.10 1.21 -0.57 0.00 0.00 179.45 180.71 1q80 s ASN 85 N -5.57 6.35 0.66 0.86 3.84 -1.26 -4.98 114.94 114.84 1q80 s ASN 85 Ca -0.12 -0.17 0.36 0.00 0.21 0.00 0.00 52.86 53.14 1q80 s ASN 85 Cb 0.21 -2.31 1.97 0.00 -0.55 0.00 0.00 41.25 40.57 1q80 s ASN 85 CO 0.79 -0.69 2.12 1.55 -2.79 0.00 0.00 177.10 178.08 1q80 h PRO 86 N 8.70 0.00 0.00 0.43 0.13 -1.92 -2.49 132.00 136.86 1q80 h PRO 86 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1q80 h PRO 86 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1q80 h PRO 86 CO 0.86 0.00 -0.18 0.93 -0.23 0.00 0.00 178.00 179.38 1q80 h GLU 87 N 0.00 0.00 0.00 0.86 3.07 -1.93 -3.37 114.58 113.20 1q80 h GLU 87 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1q80 h GLU 87 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1q80 h GLU 87 CO -0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1q80 n ALA 88 N -2.04 2.44 -0.36 3.43 0.00 -0.94 -4.54 120.51 118.50 1q80 n ALA 88 Ca 0.04 -0.02 0.28 0.00 0.00 0.00 0.00 53.44 53.74 1q80 n ALA 88 Cb 0.51 -1.04 0.54 0.00 0.00 0.00 0.00 19.45 19.46 1q80 n ALA 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1q80 h LYS 89 N 0.00 0.22 -1.01 0.00 1.57 -1.79 -2.62 116.57 112.94 1q80 h LYS 89 Ca 0.00 -0.01 0.28 0.00 -1.87 0.00 0.00 60.65 59.05 1q80 h LYS 89 Cb 0.00 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1q80 h LYS 89 CO 0.00 0.15 0.71 0.66 -0.57 0.00 0.00 179.45 180.40 1q80 h SER 90 N 0.23 0.11 -0.43 0.86 4.64 -1.96 -1.51 113.55 115.49 1q80 h SER 90 Ca 0.75 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 62.03 1q80 h SER 90 Cb 1.98 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.04 1q80 h SER 90 CO -0.52 0.03 0.06 -0.37 -0.87 0.00 0.00 176.83 175.15 1q80 h VAL 91 N 0.10 1.23 0.09 0.95 -1.51 -1.86 -1.39 116.25 113.88 1q80 h VAL 91 Ca 0.50 -0.92 -0.29 0.00 -1.23 0.00 0.00 66.70 64.77 1q80 h VAL 91 Cb 1.80 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 1q80 h VAL 91 CO -0.07 0.33 -1.45 1.62 -1.23 0.00 0.00 177.57 176.77 1q80 h VAL 92 N 0.76 1.23 -0.18 7.19 3.04 -1.53 -3.37 116.25 123.39 1q80 h VAL 92 Ca 0.16 -2.89 -0.15 0.00 -1.01 0.00 0.00 66.70 62.81 1q80 h VAL 92 Cb 0.38 2.76 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 1q80 h VAL 92 CO 0.01 0.82 -0.50 -0.33 -1.01 0.00 0.00 177.57 176.56 1q80 h GLU 93 N 0.05 0.50 -0.99 4.17 5.08 -1.33 -3.39 114.58 118.67 1q80 h GLU 93 Ca -0.21 -0.29 0.36 0.00 -1.00 0.00 0.00 59.36 58.23 1q80 h GLU 93 Cb 1.98 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 31.07 1q80 h GLU 93 CO 0.15 0.88 0.35 0.41 -1.00 0.00 0.00 179.01 179.80 1q80 n GLY 94 N 0.13 -0.96 0.30 -3.84 0.00 -0.53 -1.71 105.19 98.58 1q80 n GLY 94 Ca -0.02 0.86 0.20 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 -0.26 1.61 0.11 -1.85 -3.36 132.00 128.25 1q80 h PRO 95 Ca 0.75 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.91 1q80 h PRO 95 Cb 1.86 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.93 1q80 h PRO 95 CO -0.82 0.01 -0.07 1.25 -0.21 0.00 0.00 178.00 178.15 1q80 h LEU 96 N 0.00 -0.24 -1.83 2.35 5.85 -1.64 -1.78 115.31 118.02 1q80 h LEU 96 Ca -0.00 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.95 1q80 h LEU 96 Cb 0.28 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1q80 h LEU 96 CO 0.00 -0.09 0.43 1.55 -0.34 0.00 0.00 178.44 179.99 1q80 h PRO 97 N -0.00 0.17 -0.07 5.25 0.13 -1.82 -1.16 132.00 134.49 1q80 h PRO 97 Ca 0.12 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1q80 h PRO 97 Cb 0.19 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 1q80 h PRO 97 CO -0.27 0.11 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.50 1q80 h LEU 98 N 0.17 0.16 -0.79 1.56 4.07 -1.70 -2.48 115.31 116.29 1q80 h LEU 98 Ca 0.29 -0.44 0.06 0.00 0.08 0.00 0.00 57.88 57.88 1q80 h LEU 98 Cb 0.92 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.56 1q80 h LEU 98 CO -0.05 0.56 0.48 -0.26 -1.08 0.00 0.00 178.44 178.09 1q80 h PHE 99 N -0.24 0.88 -0.09 1.13 0.04 -0.70 -2.64 116.94 115.32 1q80 h PHE 99 Ca 0.01 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.85 1q80 h PHE 99 Cb 0.51 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 1q80 h PHE 99 CO 0.07 0.43 -0.17 0.35 -0.60 0.00 0.00 178.31 178.39 1q80 h PHE 100 N 0.86 -0.45 -1.01 -0.55 3.57 -1.22 -1.65 116.94 116.50 1q80 h PHE 100 Ca 0.35 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.93 1q80 h PHE 100 Cb 0.19 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1q80 h PHE 100 CO -0.05 -0.25 0.65 -0.09 -2.23 0.00 0.00 178.31 176.34 1q80 h ARG 101 N -0.24 1.18 -0.11 1.11 2.43 -1.34 -1.70 114.38 115.72 1q80 h ARG 101 Ca 0.09 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1q80 h ARG 101 Cb 0.36 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1q80 h ARG 101 CO -0.23 0.78 0.03 0.00 -1.51 0.00 0.00 179.97 179.03 1q80 h ALA 102 N 1.44 0.14 -0.11 2.80 0.00 -1.21 -3.26 119.26 119.06 1q80 h ALA 102 Ca 0.42 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1q80 h ALA 102 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1q80 h ALA 102 CO -0.15 -0.22 -0.36 0.28 0.00 0.00 0.00 179.25 178.80 1q80 h VAL 103 N -0.03 1.29 -0.67 0.00 2.07 -1.20 -3.40 116.25 114.31 1q80 h VAL 103 Ca 0.03 -1.38 -0.37 0.00 0.82 0.00 0.00 66.70 65.80 1q80 h VAL 103 Cb 0.26 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1q80 h VAL 103 CO 0.00 0.41 1.06 -0.62 0.02 0.00 0.00 177.57 178.45 1q80 s ASP 104 N -6.88 5.37 0.65 0.57 -1.08 -0.65 -4.86 116.67 109.79 1q80 s ASP 104 Ca -0.05 -1.28 0.27 0.00 -0.52 0.00 0.00 52.55 50.97 1q80 s ASP 104 Cb 0.14 -2.57 1.43 0.00 -1.46 0.00 0.00 42.92 40.45 1q80 s ASP 104 CO 0.76 -2.62 1.82 0.00 0.52 0.00 0.00 175.17 175.64 1q80 h THR 105 N 6.66 0.09 0.00 1.71 1.03 -1.84 -1.86 112.91 118.70 1q80 h THR 105 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.58 1q80 h THR 105 Cb 0.97 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.63 1q80 h THR 105 CO 1.26 0.00 -1.25 -0.46 -0.01 0.00 0.00 175.52 175.06 1q80 n ASN 106 N -3.06 1.42 -3.24 0.00 0.23 -1.26 -3.88 115.26 105.47 1q80 n ASN 106 Ca 0.01 -0.30 -0.16 0.00 -0.53 0.00 0.00 54.58 53.60 1q80 n ASN 106 Cb 0.53 1.39 0.08 0.00 -2.08 0.00 0.00 39.78 39.70 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 -1.72 -6.14 -0.00 -3.83 2.13 -0.70 -5.00 120.64 105.37 1q80 n GLU 107 Ca -0.01 0.78 -0.12 0.00 0.66 0.00 0.00 57.16 58.47 1q80 n GLU 107 Cb 0.30 -5.61 -0.14 0.00 0.27 0.00 0.00 31.44 26.26 1q80 n GLU 107 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1q80 h ASP 108 N -1.77 0.14 0.00 4.31 1.82 -1.98 -3.49 116.42 115.46 1q80 h ASP 108 Ca -0.54 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 55.81 1q80 h ASP 108 Cb 1.31 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1q80 h ASP 108 CO 0.46 1.26 0.00 -3.20 -1.61 0.00 0.00 179.24 176.15 1q80 n ASN 109 N -3.21 0.00 -3.78 2.28 2.85 -1.26 -5.13 115.26 107.01 1q80 n ASN 109 Ca -0.20 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.12 1q80 n ASN 109 Cb 1.04 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.91 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1q80 s ASN 110 N -2.00 0.09 -0.19 1.20 0.01 -1.26 -2.87 114.94 109.92 1q80 s ASN 110 Ca 0.00 0.03 -0.10 0.00 -0.71 0.00 0.00 52.86 52.09 1q80 s ASN 110 Cb 0.00 -0.08 -0.05 0.00 0.41 0.00 0.00 41.25 41.54 1q80 s ASN 110 CO 0.00 -0.12 0.13 -0.63 -1.51 0.00 0.00 177.10 174.97 1q80 s ILE 111 N 1.03 5.42 0.67 0.60 1.01 -0.04 -4.86 121.20 125.02 1q80 s ILE 111 Ca -0.09 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 1q80 s ILE 111 Cb -0.12 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.94 1q80 s ILE 111 CO -0.03 0.46 0.95 -0.94 0.00 0.00 0.00 174.94 175.39 1q80 s SER 112 N 0.20 4.86 0.17 3.58 1.04 -1.26 -0.43 113.70 121.86 1q80 s SER 112 Ca 0.09 0.26 -0.16 0.00 0.48 0.00 0.00 55.95 56.61 1q80 s SER 112 Cb -0.11 -0.94 0.12 0.00 0.10 0.00 0.00 66.02 65.19 1q80 s SER 112 CO -0.01 -1.52 1.67 0.03 0.98 0.00 0.00 173.24 174.38 1q80 h ARG 113 N -0.43 0.01 -0.15 4.02 -0.00 -1.96 -1.55 114.38 114.32 1q80 h ARG 113 Ca -0.43 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 58.88 1q80 h ARG 113 Cb 1.30 -0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.27 1q80 h ARG 113 CO 0.56 0.01 -0.62 -0.44 0.00 0.00 0.00 179.97 179.47 1q80 h ASP 114 N 0.01 0.60 -0.39 7.04 3.32 -1.95 -1.56 116.42 123.49 1q80 h ASP 114 Ca 0.21 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1q80 h ASP 114 Cb 0.31 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1q80 h ASP 114 CO -0.43 1.08 0.25 -0.33 -1.72 0.00 0.00 179.24 178.08 1q80 h GLU 115 N 0.39 0.52 -0.58 3.56 5.08 -1.85 0.12 114.58 121.81 1q80 h GLU 115 Ca -0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1q80 h GLU 115 Cb 1.18 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1q80 h GLU 115 CO 0.11 0.36 0.30 -0.92 -1.00 0.00 0.00 179.01 177.87 1q80 h TYR 116 N 0.52 0.82 -0.72 4.33 3.20 -1.31 -1.49 116.97 122.31 1q80 h TYR 116 Ca 0.14 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1q80 h TYR 116 Cb -0.03 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 1q80 h TYR 116 CO -0.04 0.61 0.45 0.78 -1.64 0.00 0.00 178.16 178.32 1q80 h GLY 117 N 0.79 1.04 0.94 1.82 0.00 -1.00 -1.54 103.07 105.13 1q80 h GLY 117 Ca 0.20 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1q80 h GLY 117 CO -0.03 0.41 0.14 -2.22 0.00 0.00 0.00 176.54 174.84 1q80 h ILE 118 N 0.99 1.21 -0.40 2.60 5.03 -0.68 -0.95 117.51 125.31 1q80 h ILE 118 Ca 0.26 -0.68 0.07 0.00 -0.12 0.00 0.00 64.86 64.39 1q80 h ILE 118 Cb -0.06 0.88 -0.07 0.00 -3.03 0.00 0.00 36.82 34.55 1q80 h ILE 118 CO -0.05 0.24 -0.01 0.15 -0.68 0.00 0.00 178.15 177.81 1q80 h PHE 119 N 0.53 -0.04 0.08 1.37 3.57 -1.13 -0.96 116.94 120.37 1q80 h PHE 119 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1q80 h PHE 119 Cb 0.24 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1q80 h PHE 119 CO 0.01 -0.09 -0.07 0.74 -2.23 0.00 0.00 178.31 176.67 1q80 h PHE 120 N 0.10 -0.17 -0.74 0.41 -1.00 -1.14 -2.45 116.94 111.95 1q80 h PHE 120 Ca 0.20 -0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.08 1q80 h PHE 120 Cb 0.28 0.06 -0.08 0.00 3.61 0.00 0.00 35.95 39.83 1q80 h PHE 120 CO -0.28 -0.10 0.36 0.78 -1.61 0.00 0.00 178.31 177.46 1q80 h GLY 121 N -0.16 1.12 0.96 -1.45 0.00 -0.92 -1.68 103.07 100.94 1q80 h GLY 121 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1q80 h GLY 121 CO -0.01 0.03 0.19 -0.33 0.00 0.00 0.00 176.54 176.42 1q80 h MET 122 N 0.59 0.53 0.00 4.80 2.86 -1.10 -2.90 114.93 119.71 1q80 h MET 122 Ca 0.37 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1q80 h MET 122 Cb 0.43 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1q80 h MET 122 CO -0.29 0.46 0.00 1.28 1.06 0.00 0.00 176.91 179.41 1q80 n LEU 123 N -4.73 0.00 -0.31 1.22 4.77 -0.93 -4.90 117.00 112.12 1q80 n LEU 123 Ca -0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1q80 n LEU 123 Cb 0.10 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1q80 n LEU 123 CO 0.36 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1q80 n GLY 124 N -0.21 0.95 3.50 -0.72 0.00 -1.09 -4.95 105.19 102.67 1q80 n GLY 124 Ca 0.06 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.63 2.64 -0.03 0.99 1.02 -0.65 -5.03 118.68 117.00 1q80 s LEU 125 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 54.13 52.69 1q80 s LEU 125 Cb 0.00 -0.92 -0.03 0.00 0.02 0.00 0.00 46.19 45.27 1q80 s LEU 125 CO 0.00 -0.20 0.97 -0.62 0.02 0.00 0.00 176.35 176.52 1q80 s ASP 126 N -3.54 7.32 0.32 2.29 -1.08 -1.26 -3.91 116.67 116.80 1q80 s ASP 126 Ca 0.31 1.60 0.04 0.00 -0.52 0.00 0.00 52.55 53.98 1q80 s ASP 126 Cb 0.01 -2.56 0.64 0.00 -1.46 0.00 0.00 42.92 39.56 1q80 s ASP 126 CO 0.15 -0.29 1.88 0.50 0.52 0.00 0.00 175.17 177.92 1q80 h LYS 127 N 6.87 0.87 0.00 4.34 3.11 -1.93 -1.55 116.57 128.28 1q80 h LYS 127 Ca -0.39 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.40 1q80 h LYS 127 Cb 1.20 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 32.24 1q80 h LYS 127 CO 0.77 0.58 -0.01 1.79 -2.81 0.00 0.00 179.45 179.77 1q80 h THR 128 N 0.90 0.30 0.00 1.00 1.35 -1.97 -2.33 112.91 112.16 1q80 h THR 128 Ca 0.44 -0.04 -0.10 0.00 -0.55 0.00 0.00 66.41 66.16 1q80 h THR 128 Cb 0.45 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1q80 h THR 128 CO -0.20 0.01 -0.47 -0.03 -0.25 0.00 0.00 175.52 174.57 1q80 h MET 129 N 0.00 0.00 0.50 4.72 1.85 -1.69 -3.36 114.93 116.95 1q80 h MET 129 Ca -0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1q80 h MET 129 Cb 0.03 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.06 1q80 h MET 129 CO 0.00 0.47 -0.24 0.00 -0.40 0.00 0.00 176.91 176.75 1q80 h ALA 130 N 1.53 -0.67 -0.70 0.39 0.00 -1.51 -2.74 119.26 115.56 1q80 h ALA 130 Ca -0.00 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.90 1q80 h ALA 130 Cb 1.02 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 1q80 h ALA 130 CO 0.06 -0.85 0.15 -1.35 0.00 0.00 0.00 179.25 177.25 1q80 h PRO 131 N -0.71 0.24 -0.72 0.00 0.11 -1.72 1.00 132.00 130.19 1q80 h PRO 131 Ca -0.07 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1q80 h PRO 131 Cb 0.53 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1q80 h PRO 131 CO 0.11 0.16 0.38 0.00 -0.21 0.00 0.00 178.00 178.44 1q80 h ALA 132 N 1.59 0.92 -0.29 -0.75 0.00 -1.74 -1.03 119.26 117.95 1q80 h ALA 132 Ca 0.39 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 1q80 h ALA 132 Cb 0.64 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1q80 h ALA 132 CO -0.50 0.45 -0.54 0.77 0.00 0.00 0.00 179.25 179.44 1q80 h SER 133 N 1.00 0.98 -0.45 0.00 0.02 -1.13 -3.29 113.55 110.68 1q80 h SER 133 Ca 0.25 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1q80 h SER 133 Cb 0.06 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1q80 h SER 133 CO -0.04 1.33 0.30 0.15 -1.14 0.00 0.00 176.83 177.43 1q80 h PHE 134 N 0.67 0.57 -0.96 3.45 3.04 -0.73 -3.13 116.94 119.86 1q80 h PHE 134 Ca 0.02 0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.18 1q80 h PHE 134 Cb 1.15 -0.19 -0.11 0.00 2.56 0.00 0.00 35.95 39.36 1q80 h PHE 134 CO 0.07 0.36 0.54 0.22 -2.02 0.00 0.00 178.31 177.49 1q80 h ASP 135 N 0.61 0.64 -0.29 0.41 3.58 -1.25 -1.25 116.42 118.87 1q80 h ASP 135 Ca 0.17 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 1q80 h ASP 135 Cb -0.07 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1q80 h ASP 135 CO -0.04 0.19 0.10 0.00 -2.88 0.00 0.00 179.24 176.61 1q80 h ALA 136 N 1.66 1.50 0.08 -0.78 0.00 -1.62 -3.32 119.26 116.77 1q80 h ALA 136 Ca 0.57 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 55.00 1q80 h ALA 136 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1q80 h ALA 136 CO -0.42 0.37 -1.88 -0.89 0.00 0.00 0.00 179.25 176.43 1q80 n ILE 137 N -4.35 1.72 -0.33 0.00 5.41 -0.71 -4.85 119.36 116.25 1q80 n ILE 137 Ca 0.02 -0.71 -0.27 0.00 1.00 0.00 0.00 62.75 62.79 1q80 n ILE 137 Cb 0.17 -1.48 -0.07 0.00 -0.71 0.00 0.00 39.64 37.55 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 -3.32 0.58 0.22 4.38 2.03 -0.55 -4.75 116.55 115.13 1q80 n ASP 138 Ca -0.26 -2.25 0.06 0.00 0.52 0.00 0.00 54.79 52.87 1q80 n ASP 138 Cb 1.05 -0.48 0.50 0.00 -0.72 0.00 0.00 41.12 41.47 1q80 n ASP 138 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1q80 h THR 139 N 4.61 0.99 0.00 5.18 2.02 -1.89 -3.08 112.91 120.74 1q80 h THR 139 Ca 0.16 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1q80 h THR 139 Cb 0.43 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1q80 h THR 139 CO 1.61 0.25 -0.01 -1.13 0.37 0.00 0.00 175.52 176.60 1q80 h ASN 140 N 0.00 0.00 0.00 4.18 -0.73 -1.85 -3.48 115.58 113.70 1q80 h ASN 140 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1q80 h ASN 140 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.09 1q80 h ASN 140 CO 0.03 0.01 0.00 -0.46 -0.37 0.00 0.00 177.43 176.64 1q80 n ASN 141 N -3.11 -5.35 -0.78 1.15 0.23 -1.17 -4.90 115.26 101.34 1q80 n ASN 141 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 1q80 n ASN 141 Cb 0.30 -2.87 0.31 0.00 -2.08 0.00 0.00 39.78 35.44 1q80 n ASN 141 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1q80 n ASP 142 N -0.79 2.37 0.00 0.53 2.03 -1.26 -4.96 116.55 114.48 1q80 n ASP 142 Ca 0.00 -1.80 0.00 0.00 0.52 0.00 0.00 54.79 53.51 1q80 n ASP 142 Cb 0.39 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 1.28 0.38 3.20 0.27 0.00 -1.26 -5.06 105.19 104.01 1q80 n GLY 143 Ca 0.17 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 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 2.16 -0.41 0.99 2.01 -1.26 -3.26 118.68 118.91 1q80 s LEU 144 Ca 0.00 -0.48 -0.15 0.00 0.01 0.00 0.00 54.13 53.51 1q80 s LEU 144 Cb 0.00 -0.83 0.02 0.00 0.01 0.00 0.00 46.19 45.39 1q80 s LEU 144 CO 0.00 0.12 0.30 -0.76 1.01 0.00 0.00 176.35 177.02 1q80 s LEU 145 N -1.09 5.13 0.92 1.79 1.43 0.43 -4.73 118.68 122.57 1q80 s LEU 145 Ca 0.05 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.08 1q80 s LEU 145 Cb -0.08 -2.16 0.16 0.00 0.03 0.00 0.00 46.19 44.14 1q80 s LEU 145 CO 0.01 -0.46 1.28 -0.94 0.23 0.00 0.00 176.35 176.48 1q80 s SER 146 N 1.72 3.52 0.13 2.29 1.04 -1.26 -0.86 113.70 120.27 1q80 s SER 146 Ca 0.05 0.42 -0.19 0.00 0.48 0.00 0.00 55.95 56.71 1q80 s SER 146 Cb -0.19 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.31 1q80 s SER 146 CO 0.10 -2.50 1.73 0.25 0.98 0.00 0.00 173.24 173.80 1q80 h LEU 147 N -1.48 -0.03 -0.44 2.42 7.12 -1.95 -1.87 115.31 119.09 1q80 h LEU 147 Ca -0.45 0.04 0.09 0.00 0.13 0.00 0.00 57.88 57.69 1q80 h LEU 147 Cb 1.26 0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 41.37 1q80 h LEU 147 CO 0.46 0.02 -0.10 -0.08 -0.13 0.00 0.00 178.44 178.61 1q80 h GLU 148 N 0.11 0.01 0.23 1.25 4.57 -1.94 0.93 114.58 119.73 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 0.11 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1q80 h GLU 148 CO -0.15 0.00 -0.12 0.93 -1.18 0.00 0.00 179.01 178.50 1q80 h GLU 149 N 0.01 -0.31 -0.09 1.92 3.07 -1.86 -1.50 114.58 115.82 1q80 h GLU 149 Ca 0.21 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 1q80 h GLU 149 Cb 0.32 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1q80 h GLU 149 CO -0.45 -0.20 0.03 0.35 -1.40 0.00 0.00 179.01 177.34 1q80 h PHE 150 N -0.32 0.14 -0.86 4.33 3.57 -1.12 -1.55 116.94 121.13 1q80 h PHE 150 Ca -0.03 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.52 1q80 h PHE 150 Cb 0.25 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1q80 h PHE 150 CO -0.07 0.27 0.54 -0.39 -2.23 0.00 0.00 178.31 176.44 1q80 h VAL 151 N -0.03 1.06 0.18 1.41 -1.51 -0.84 -1.53 116.25 114.98 1q80 h VAL 151 Ca 0.03 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 65.15 1q80 h VAL 151 Cb 0.20 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.34 1q80 h VAL 151 CO -0.00 0.18 -0.08 0.40 -1.23 0.00 0.00 177.57 176.83 1q80 h ILE 152 N 0.99 0.85 -0.37 7.19 1.08 -1.15 -1.11 117.51 124.99 1q80 h ILE 152 Ca 0.37 -0.10 0.06 0.00 -0.39 0.00 0.00 64.86 64.80 1q80 h ILE 152 Cb 0.15 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 34.76 1q80 h ILE 152 CO -0.17 0.02 0.07 0.00 -0.69 0.00 0.00 178.15 177.39 1q80 h ALA 153 N 0.53 0.39 -0.48 1.87 0.00 -1.00 -1.65 119.26 118.93 1q80 h ALA 153 Ca -0.02 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1q80 h ALA 153 Cb 0.22 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1q80 h ALA 153 CO 0.04 -0.33 -0.21 0.78 0.00 0.00 0.00 179.25 179.53 1q80 h GLY 154 N 0.19 1.06 0.45 0.00 0.00 -1.30 -1.02 103.07 102.45 1q80 h GLY 154 Ca 0.18 -0.93 0.02 0.00 0.00 0.00 0.00 47.33 46.60 1q80 h GLY 154 CO -0.23 0.85 -0.29 0.23 0.00 0.00 0.00 176.54 177.10 1q80 h SER 155 N 0.85 -0.83 -0.37 0.19 0.87 -1.03 -1.64 113.55 111.59 1q80 h SER 155 Ca 0.11 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1q80 h SER 155 Cb 0.78 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1q80 h SER 155 CO 0.07 -0.37 0.08 -0.78 -0.53 0.00 0.00 176.83 175.30 1q80 h ASP 156 N -0.47 0.57 -0.31 6.23 1.82 -1.34 -0.94 116.42 121.97 1q80 h ASP 156 Ca 0.04 -0.24 0.06 0.00 -0.39 0.00 0.00 57.03 56.51 1q80 h ASP 156 Cb 0.53 -0.15 -0.06 0.00 0.68 0.00 0.00 39.33 40.33 1q80 h ASP 156 CO -0.20 0.66 -0.05 0.15 -1.61 0.00 0.00 179.24 178.19 1q80 h PHE 157 N 0.46 -0.12 0.07 0.28 3.57 -1.07 0.05 116.94 120.19 1q80 h PHE 157 Ca 0.12 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.39 1q80 h PHE 157 Cb 0.32 0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1q80 h PHE 157 CO 0.02 -0.11 -1.11 0.74 -2.23 0.00 0.00 178.31 175.62 1q80 h PHE 158 N 0.03 0.62 0.00 0.41 0.04 -1.31 -3.40 116.94 113.33 1q80 h PHE 158 Ca 0.15 -0.39 -0.03 0.00 2.80 0.00 0.00 57.97 60.50 1q80 h PHE 158 Cb 0.22 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 1q80 h PHE 158 CO -0.28 1.25 -1.54 0.00 -0.60 0.00 0.00 178.31 177.15 1q80 n MET 159 N -3.67 0.63 -2.75 1.51 0.00 -0.36 -4.98 117.12 107.51 1q80 n MET 159 Ca -0.08 -0.02 -0.42 0.00 0.00 0.00 0.00 57.70 57.18 1q80 n MET 159 Cb 0.93 -1.68 -0.03 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 -5.01 7.30 0.00 3.17 3.84 -0.00 -4.99 114.94 119.24 1q80 s ASN 160 Ca -0.04 1.57 0.22 0.00 0.21 0.00 0.00 52.86 54.82 1q80 s ASN 160 Cb 0.11 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.22 1q80 s ASN 160 CO 0.85 -0.28 1.05 -0.90 -2.79 0.00 0.00 177.10 175.03 1q80 n ASP 161 N 4.10 1.56 0.00 -4.21 5.75 -1.26 -4.82 116.55 117.67 1q80 n ASP 161 Ca 0.06 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1q80 n ASP 161 Cb 0.51 0.65 0.00 0.00 -1.03 0.00 0.00 41.12 41.25 1q80 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q80 n GLY 162 N 1.45 0.18 0.00 6.12 0.00 -1.26 -4.80 105.19 106.88 1q80 n GLY 162 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1q80 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q80 n ASP 163 N -1.52 0.00 -0.95 1.61 2.03 -1.26 -4.98 116.55 111.49 1q80 n ASP 163 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1q80 n ASP 163 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.62 -5.21 -0.12 1.67 3.41 -1.26 -4.49 113.62 107.00 1q80 n SER 164 Ca 0.00 1.01 -0.04 0.00 -0.26 0.00 0.00 58.87 59.58 1q80 n SER 164 Cb 0.00 -2.60 0.17 0.00 -0.26 0.00 0.00 64.21 61.52 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 0.37 1.24 0.00 6.66 1.35 -2.03 -3.07 112.91 117.43 1q80 h THR 165 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1q80 h THR 165 Cb 0.41 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1q80 h THR 165 CO 0.00 0.34 0.00 -0.46 -0.25 0.00 0.00 175.52 175.15 1q80 n ASN 166 N -4.24 0.11 0.23 5.36 6.94 -1.26 -4.06 115.26 118.35 1q80 n ASN 166 Ca 0.03 -1.19 0.11 0.00 -0.02 0.00 0.00 54.58 53.51 1q80 n ASN 166 Cb 0.27 -0.06 0.71 0.00 -2.36 0.00 0.00 39.78 38.35 1q80 n ASN 166 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1q80 h LYS 167 N 0.08 0.00 -0.62 -3.83 2.10 -1.76 -2.51 116.57 110.03 1q80 h LYS 167 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1q80 h LYS 167 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1q80 h LYS 167 CO 0.00 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.78 1q80 n VAL 168 N -4.33 1.01 -0.26 0.07 0.24 -1.26 -4.63 118.33 109.18 1q80 n VAL 168 Ca -0.01 -0.61 0.19 0.00 -2.04 0.00 0.00 64.34 61.86 1q80 n VAL 168 Cb 0.16 -0.13 0.50 0.00 -1.47 0.00 0.00 33.84 32.90 1q80 n VAL 168 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1q80 h PHE 169 N 2.06 0.58 -0.48 6.34 3.57 -1.77 -1.79 116.94 125.46 1q80 h PHE 169 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1q80 h PHE 169 Cb 0.93 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1q80 h PHE 169 CO 0.42 0.15 0.00 0.91 -2.23 0.00 0.00 178.31 177.56 1q80 n TRP 170 N -4.53 1.50 0.00 0.41 7.02 -1.26 -5.09 117.44 115.49 1q80 n TRP 170 Ca 0.20 -0.73 0.00 0.00 -1.02 0.00 0.00 57.50 55.95 1q80 n TRP 170 Cb 0.70 -0.36 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 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 0.39 0.85 3.73 6.99 0.00 -0.67 -4.91 105.19 111.56 1q80 n GLY 171 Ca 0.24 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1q80 n GLY 171 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1q80 s PRO 172 N -1.27 2.31 0.02 1.61 0.02 -1.26 -4.66 135.00 131.77 1q80 s PRO 172 Ca 0.00 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.51 1q80 s PRO 172 Cb 0.00 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 1q80 s PRO 172 CO 0.00 -1.71 1.59 -0.51 -0.33 0.00 0.00 177.00 176.04 1q80 s LEU 173 N -4.91 4.34 0.00 -5.54 1.43 -1.26 -4.94 118.68 107.80 1q80 s LEU 173 Ca 0.75 2.32 0.24 0.00 -1.03 0.00 0.00 54.13 56.42 1q80 s LEU 173 Cb -0.30 -3.55 1.43 0.00 0.03 0.00 0.00 46.19 43.80 1q80 s LEU 173 CO 0.43 -0.86 1.80 1.33 0.23 0.00 0.00 176.35 179.28