#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 0.12 -0.19 4.04 5.19 -1.99 -1.56 116.42 122.03 1q80 h ASP 2 Ca 0.00 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1q80 h ASP 2 Cb 0.00 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1q80 h ASP 2 CO 0.00 0.07 0.05 0.25 -3.12 0.00 0.00 179.24 176.49 1q80 h LEU 3 N 0.34 0.28 -0.30 1.55 6.46 -1.98 -1.42 115.31 120.23 1q80 h LEU 3 Ca 0.32 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1q80 h LEU 3 Cb 0.45 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1q80 h LEU 3 CO -0.36 0.42 0.19 -0.25 -0.62 0.00 0.00 178.44 177.82 1q80 h TRP 4 N 0.12 0.35 0.05 1.25 7.01 -1.87 -0.14 115.95 122.72 1q80 h TRP 4 Ca 0.06 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1q80 h TRP 4 Cb 0.25 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1q80 h TRP 4 CO 0.00 0.22 -0.03 0.28 -2.79 0.00 0.00 178.44 176.13 1q80 h VAL 5 N 0.38 0.97 -0.75 2.65 2.07 -1.30 -1.91 116.25 118.36 1q80 h VAL 5 Ca 0.11 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1q80 h VAL 5 Cb -0.03 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1q80 h VAL 5 CO -0.04 0.02 0.47 1.56 0.02 0.00 0.00 177.57 179.60 1q80 h GLN 6 N -0.10 1.01 0.37 1.57 1.08 -1.21 -1.40 115.11 116.42 1q80 h GLN 6 Ca -0.01 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1q80 h GLN 6 Cb 0.08 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1q80 h GLN 6 CO 0.01 0.70 -0.29 -0.22 -0.95 0.00 0.00 178.83 178.08 1q80 h LYS 7 N 1.02 -0.64 -0.82 1.46 3.64 -0.94 0.85 116.57 121.14 1q80 h LYS 7 Ca 0.27 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1q80 h LYS 7 Cb -0.06 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1q80 h LYS 7 CO -0.05 -0.43 0.37 0.52 -2.27 0.00 0.00 179.45 177.59 1q80 h MET 8 N -0.66 1.19 -0.77 1.90 2.86 -1.36 -1.67 114.93 116.42 1q80 h MET 8 Ca -0.03 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 1q80 h MET 8 Cb 0.58 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1q80 h MET 8 CO -0.02 0.93 0.33 0.87 1.06 0.00 0.00 176.91 180.09 1q80 h LYS 9 N 1.17 1.14 0.76 1.72 1.79 -1.17 0.71 116.57 122.69 1q80 h LYS 9 Ca 0.28 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1q80 h LYS 9 Cb 0.15 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1q80 h LYS 9 CO -0.03 0.92 -0.50 1.15 -1.08 0.00 0.00 179.45 179.90 1q80 h THR 10 N 1.11 0.00 -0.61 -0.16 2.02 -0.54 -1.33 112.91 113.39 1q80 h THR 10 Ca 0.26 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.38 1q80 h THR 10 Cb 0.19 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1q80 h THR 10 CO -0.02 0.00 0.13 0.22 0.37 0.00 0.00 175.52 176.21 1q80 h TYR 11 N -1.20 1.01 -0.15 3.16 3.20 -1.35 -1.82 116.97 119.83 1q80 h TYR 11 Ca -0.10 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.63 1q80 h TYR 11 Cb 0.97 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1q80 h TYR 11 CO -0.13 0.84 -0.02 0.35 -1.64 0.00 0.00 178.16 177.57 1q80 h PHE 12 N 0.92 0.31 -0.53 -3.82 3.04 -0.86 0.23 116.94 116.22 1q80 h PHE 12 Ca 0.19 -0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.13 1q80 h PHE 12 Cb 0.36 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.74 1q80 h PHE 12 CO 0.02 0.53 0.27 -0.97 -2.02 0.00 0.00 178.31 176.14 1q80 h ASN 13 N -0.01 0.39 1.94 0.41 -0.73 -1.19 -0.67 115.58 115.73 1q80 h ASN 13 Ca 0.04 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1q80 h ASN 13 Cb 0.42 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.96 1q80 h ASN 13 CO 0.01 0.27 -0.00 0.03 -0.37 0.00 0.00 177.43 177.36 1q80 h ARG 14 N 0.52 0.00 0.00 6.67 2.47 -1.36 -3.34 114.38 119.35 1q80 h ARG 14 Ca 0.23 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.80 1q80 h ARG 14 Cb 0.14 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 1q80 h ARG 14 CO -0.16 0.00 -1.27 0.97 0.56 0.00 0.00 179.97 180.07 1q80 h ILE 15 N 0.00 0.55 0.00 2.04 6.09 -0.28 -3.43 117.51 122.49 1q80 h ILE 15 Ca 0.00 -2.03 -0.58 0.00 -1.37 0.00 0.00 64.86 60.88 1q80 h ILE 15 Cb 0.97 2.09 0.02 0.00 0.47 0.00 0.00 36.82 40.38 1q80 h ILE 15 CO 0.00 0.32 3.43 -0.67 -3.07 0.00 0.00 178.15 178.15 1q80 n ASP 16 N -2.94 7.69 0.02 2.19 2.03 -0.28 -4.79 116.55 120.47 1q80 n ASP 16 Ca -0.08 -2.50 -0.12 0.00 0.52 0.00 0.00 54.79 52.61 1q80 n ASP 16 Cb 0.82 -1.43 -0.08 0.00 -0.72 0.00 0.00 41.12 39.71 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 5.28 -0.00 0.00 -0.67 3.04 -1.87 -2.96 116.94 119.76 1q80 h PHE 17 Ca 0.76 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.71 1q80 h PHE 17 Cb 0.28 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1q80 h PHE 17 CO 1.90 0.18 0.00 -0.40 -2.02 0.00 0.00 178.31 177.97 1q80 n ASP 18 N -5.00 0.00 -3.17 0.41 5.68 -1.26 -4.96 116.55 108.24 1q80 n ASP 18 Ca -0.08 -0.55 -0.23 0.00 -0.50 0.00 0.00 54.79 53.43 1q80 n ASP 18 Cb 0.11 -0.11 0.04 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.11 -5.37 0.17 0.11 4.76 -1.12 -4.94 118.16 110.66 1q80 n LYS 19 Ca 0.17 0.86 0.13 0.00 -2.87 0.00 0.00 58.31 56.60 1q80 n LYS 19 Cb 0.14 -5.75 0.56 0.00 -1.84 0.00 0.00 35.03 28.14 1q80 n LYS 19 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1q80 h ASP 20 N -1.62 0.00 0.00 4.39 1.82 -1.93 -3.46 116.42 115.62 1q80 h ASP 20 Ca -0.53 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1q80 h ASP 20 Cb 1.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1q80 h ASP 20 CO 0.57 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.81 1q80 n GLY 21 N -0.18 0.30 2.91 -0.78 0.00 -1.26 -5.08 105.19 101.10 1q80 n GLY 21 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.09 0.21 -0.25 4.61 0.00 -1.26 -3.39 121.76 119.58 1q80 s ALA 22 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 1q80 s ALA 22 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1q80 s ALA 22 CO 0.00 0.04 1.05 0.42 0.00 0.00 0.00 175.76 177.27 1q80 s ILE 23 N 0.01 4.64 0.22 0.00 -1.09 -0.29 -4.66 121.20 120.03 1q80 s ILE 23 Ca 0.00 1.95 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 1q80 s ILE 23 Cb -0.02 -4.34 -0.05 0.00 -1.58 0.00 0.00 42.46 36.48 1q80 s ILE 23 CO -0.00 -0.26 0.10 0.28 -1.23 0.00 0.00 174.94 173.83 1q80 s THR 24 N 3.32 0.28 0.32 2.92 -1.32 -1.26 -1.89 115.64 118.01 1q80 s THR 24 Ca 0.44 -1.99 0.03 0.00 -1.21 0.00 0.00 61.69 58.96 1q80 s THR 24 Cb -0.14 -2.51 0.29 0.00 -1.51 0.00 0.00 72.50 68.63 1q80 s THR 24 CO 0.08 -0.05 1.89 -0.09 -2.21 0.00 0.00 174.62 174.24 1q80 h ARG 25 N 2.54 0.89 -1.01 7.08 2.43 -1.95 -2.54 114.38 121.82 1q80 h ARG 25 Ca -0.37 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1q80 h ARG 25 Cb 1.24 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 1q80 h ARG 25 CO 0.57 0.59 0.67 0.52 -1.51 0.00 0.00 179.97 180.81 1q80 h MET 26 N 0.92 1.30 -0.23 0.20 2.86 -1.98 -1.46 114.93 116.53 1q80 h MET 26 Ca 0.42 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 58.01 1q80 h MET 26 Cb 0.38 -0.29 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1q80 h MET 26 CO -0.18 0.86 0.04 0.22 1.06 0.00 0.00 176.91 178.91 1q80 h ASP 27 N 1.34 0.00 -0.86 1.22 3.58 -1.81 0.13 116.42 120.02 1q80 h ASP 27 Ca 0.38 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.84 1q80 h ASP 27 Cb -0.11 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1q80 h ASP 27 CO -0.10 0.03 0.42 -0.26 -2.88 0.00 0.00 179.24 176.46 1q80 h PHE 28 N 0.13 1.23 -0.18 0.28 0.04 -1.43 0.31 116.94 117.31 1q80 h PHE 28 Ca 0.10 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1q80 h PHE 28 Cb 0.11 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 1q80 h PHE 28 CO -0.15 0.88 0.04 0.93 -0.60 0.00 0.00 178.31 179.41 1q80 h GLU 29 N 1.22 0.30 -0.12 1.51 5.08 -1.00 -0.90 114.58 120.67 1q80 h GLU 29 Ca 0.30 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1q80 h GLU 29 Cb 0.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1q80 h GLU 29 CO -0.04 0.44 -0.09 0.77 -1.00 0.00 0.00 179.01 179.09 1q80 h SER 30 N 0.11 -0.28 -0.41 1.42 0.02 -0.63 -2.63 113.55 111.14 1q80 h SER 30 Ca 0.06 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1q80 h SER 30 Cb 0.27 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1q80 h SER 30 CO 0.00 -0.12 0.14 -0.03 -1.14 0.00 0.00 176.83 175.68 1q80 h MET 31 N -0.10 0.30 0.23 3.45 1.85 -0.93 -1.50 114.93 118.22 1q80 h MET 31 Ca 0.08 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1q80 h MET 31 Cb 0.21 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 1q80 h MET 31 CO -0.18 0.20 -0.17 0.00 -0.40 0.00 0.00 176.91 176.35 1q80 h ALA 32 N 1.27 -0.39 -0.48 0.39 0.00 -0.98 0.16 119.26 119.23 1q80 h ALA 32 Ca 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1q80 h ALA 32 Cb 0.18 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1q80 h ALA 32 CO -0.20 -0.74 -0.05 1.05 0.00 0.00 0.00 179.25 179.31 1q80 h GLU 33 N -0.41 0.84 -0.09 0.00 -0.00 -1.47 -1.25 114.58 112.20 1q80 h GLU 33 Ca -0.01 -0.26 -0.03 0.00 -0.00 0.00 0.00 59.36 59.06 1q80 h GLU 33 Cb 0.36 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 29.03 1q80 h GLU 33 CO -0.01 0.88 -0.05 0.00 -0.00 0.00 0.00 179.01 179.83 1q80 h ARG 34 N 0.77 0.20 -0.83 1.06 3.08 -1.22 -1.81 114.38 115.64 1q80 h ARG 34 Ca 0.14 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1q80 h ARG 34 Cb 0.54 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1q80 h ARG 34 CO 0.03 0.57 0.55 0.35 -1.07 0.00 0.00 179.97 180.40 1q80 h PHE 35 N -0.17 1.04 -0.22 3.04 3.04 -0.70 -2.58 116.94 120.39 1q80 h PHE 35 Ca 0.02 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1q80 h PHE 35 Cb 0.51 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1q80 h PHE 35 CO 0.07 0.66 0.14 0.00 -2.02 0.00 0.00 178.31 177.15 1q80 h ALA 36 N 1.31 0.28 -0.86 2.41 0.00 -1.23 -2.22 119.26 118.95 1q80 h ALA 36 Ca 0.31 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1q80 h ALA 36 Cb -0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1q80 h ALA 36 CO -0.07 -0.23 0.53 -0.22 0.00 0.00 0.00 179.25 179.27 1q80 h LYS 37 N 0.27 0.95 -0.04 0.00 3.64 -1.16 -3.27 116.57 116.97 1q80 h LYS 37 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1q80 h LYS 37 Cb 0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1q80 h LYS 37 CO -0.02 0.63 0.00 0.39 -2.27 0.00 0.00 179.45 178.19 1q80 n GLU 38 N -4.61 2.27 -3.79 1.90 1.02 -0.99 -5.04 120.64 111.40 1q80 n GLU 38 Ca 0.12 -1.84 -0.23 0.00 -0.02 0.00 0.00 57.16 55.19 1q80 n GLU 38 Cb 0.16 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1q80 n GLU 38 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1q80 s SER 39 N -1.99 4.78 1.08 1.62 0.01 -0.84 -5.04 113.70 113.32 1q80 s SER 39 Ca 0.29 -0.93 -0.14 0.00 1.31 0.00 0.00 55.95 56.48 1q80 s SER 39 Cb 0.20 -0.39 0.19 0.00 0.21 0.00 0.00 66.02 66.24 1q80 s SER 39 CO 0.30 -0.69 0.93 1.21 0.41 0.00 0.00 173.24 175.40 1q80 n GLU 40 N -1.48 -1.64 -2.93 12.44 0.00 -1.26 -4.97 120.64 120.80 1q80 n GLU 40 Ca 0.01 -1.45 -0.08 0.00 0.00 0.00 0.00 57.16 55.64 1q80 n GLU 40 Cb 0.63 -1.11 -0.01 0.00 0.00 0.00 0.00 31.44 30.95 1q80 n GLU 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1q80 n MET 41 N -3.48 0.43 -3.61 5.31 2.81 -1.26 -4.91 117.12 112.43 1q80 n MET 41 Ca 0.12 -1.59 -0.03 0.00 -1.81 0.00 0.00 57.70 54.40 1q80 n MET 41 Cb 0.44 1.57 -0.06 0.00 -0.71 0.00 0.00 33.22 34.45 1q80 n MET 41 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1q80 s LYS 42 N -2.42 0.44 0.00 0.03 0.00 -0.94 -4.68 119.74 112.17 1q80 s LYS 42 Ca 0.16 0.83 0.00 0.00 0.00 0.00 0.00 55.97 56.96 1q80 s LYS 42 Cb -0.01 0.20 0.00 0.00 0.00 0.00 0.00 37.83 38.02 1q80 s LYS 42 CO 0.12 -0.10 0.64 0.00 0.00 0.00 0.00 175.35 176.00 1q80 n ALA 43 N 4.15 -0.04 0.32 0.59 0.00 -1.26 -1.33 120.51 122.94 1q80 n ALA 43 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1q80 n ALA 43 Cb 0.56 0.23 0.04 0.00 0.00 0.00 0.00 19.45 20.28 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 -1.00 0.00 4.81 -2.01 -3.49 114.58 112.90 1q80 h GLU 44 Ca 0.00 0.00 0.32 0.00 -0.13 0.00 0.00 59.36 59.55 1q80 h GLU 44 Cb 0.00 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.20 1q80 h GLU 44 CO 0.00 0.00 0.18 1.58 -0.73 0.00 0.00 179.01 180.04 1q80 n HIS 45 N -2.49 0.80 -0.10 0.92 -0.00 -0.44 -2.08 115.22 111.83 1q80 n HIS 45 Ca -0.00 1.19 -0.09 0.00 0.46 0.00 0.00 57.72 59.28 1q80 n HIS 45 Cb 0.96 -1.35 -0.02 0.00 -0.12 0.00 0.00 29.99 29.46 1q80 n HIS 45 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1q80 h ALA 46 N 1.99 0.41 -0.22 1.57 0.00 -1.95 -1.29 119.26 119.78 1q80 h ALA 46 Ca 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 1q80 h ALA 46 Cb 1.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1q80 h ALA 46 CO -0.88 -0.06 0.04 -0.22 0.00 0.00 0.00 179.25 178.13 1q80 h LYS 47 N 0.40 0.36 -0.74 0.00 3.64 -1.87 -2.84 116.57 115.52 1q80 h LYS 47 Ca 0.11 -0.09 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1q80 h LYS 47 Cb 0.06 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.73 1q80 h LYS 47 CO -0.02 0.50 0.23 -0.24 -2.27 0.00 0.00 179.45 177.65 1q80 h VAL 48 N 0.16 0.57 -0.15 2.00 3.04 -1.29 0.10 116.25 120.68 1q80 h VAL 48 Ca 0.07 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1q80 h VAL 48 Cb 0.31 0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 1q80 h VAL 48 CO 0.00 0.06 0.05 0.25 -1.01 0.00 0.00 177.57 176.92 1q80 h LEU 49 N 0.34 0.22 -0.50 3.16 5.85 -1.26 -1.34 115.31 121.77 1q80 h LEU 49 Ca 0.42 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1q80 h LEU 49 Cb 0.69 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1q80 h LEU 49 CO -0.47 0.35 0.14 -0.03 -0.34 0.00 0.00 178.44 178.10 1q80 h MET 50 N 0.07 0.79 0.04 1.25 4.05 -1.16 -0.89 114.93 119.06 1q80 h MET 50 Ca 0.05 -0.18 0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1q80 h MET 50 Cb 0.21 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1q80 h MET 50 CO -0.00 0.75 -0.11 -0.44 0.23 0.00 0.00 176.91 177.33 1q80 h ASP 51 N 0.68 -0.31 -0.08 1.39 3.32 -0.81 -0.85 116.42 119.76 1q80 h ASP 51 Ca 0.16 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1q80 h ASP 51 Cb 0.30 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1q80 h ASP 51 CO -0.00 -0.16 0.02 0.28 -1.72 0.00 0.00 179.24 177.66 1q80 h SER 52 N -0.21 0.12 -0.40 6.45 0.02 -1.24 -1.26 113.55 117.03 1q80 h SER 52 Ca 0.03 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1q80 h SER 52 Cb 0.24 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1q80 h SER 52 CO -0.09 0.31 0.06 -0.07 -1.14 0.00 0.00 176.83 175.90 1q80 h LEU 53 N -0.08 0.63 -0.64 5.07 3.38 -1.19 -2.24 115.31 120.24 1q80 h LEU 53 Ca 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1q80 h LEU 53 Cb 0.24 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1q80 h LEU 53 CO 0.00 0.74 0.27 0.71 0.09 0.00 0.00 178.44 180.24 1q80 h THR 54 N 0.51 1.23 -0.94 0.22 1.35 -1.21 -3.05 112.91 111.02 1q80 h THR 54 Ca 0.12 -0.71 0.07 0.00 -0.55 0.00 0.00 66.41 65.34 1q80 h THR 54 Cb 0.38 0.51 -0.06 0.00 -1.73 0.00 0.00 68.15 67.24 1q80 h THR 54 CO 0.01 0.28 0.61 1.23 -0.25 0.00 0.00 175.52 177.40 1q80 h GLY 55 N 0.89 1.40 0.30 5.82 0.00 -1.10 -1.68 103.07 108.69 1q80 h GLY 55 Ca 0.21 -0.43 0.09 0.00 0.00 0.00 0.00 47.33 47.20 1q80 h GLY 55 CO -0.02 0.29 0.04 -2.08 0.00 0.00 0.00 176.54 174.78 1q80 h VAL 56 N 1.05 0.68 0.48 4.60 2.07 -1.29 -1.12 116.25 122.72 1q80 h VAL 56 Ca 0.41 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.85 1q80 h VAL 56 Cb 0.23 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1q80 h VAL 56 CO -0.16 0.03 -0.23 -0.25 0.02 0.00 0.00 177.57 176.97 1q80 h TRP 57 N 0.16 -0.60 -0.78 1.57 2.91 -1.53 -3.09 115.95 114.60 1q80 h TRP 57 Ca 0.24 -0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.42 1q80 h TRP 57 Cb 0.34 0.20 -0.14 0.00 -0.51 0.00 0.00 29.16 29.05 1q80 h TRP 57 CO -0.26 -0.37 0.02 -0.44 -1.03 0.00 0.00 178.44 176.35 1q80 h ASP 58 N -1.15 -0.34 0.30 2.65 3.32 -1.20 -2.65 116.42 117.35 1q80 h ASP 58 Ca -0.07 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1q80 h ASP 58 Cb 0.50 0.35 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1q80 h ASP 58 CO 0.11 -0.19 -0.87 -3.20 -1.72 0.00 0.00 179.24 173.37 1q80 n ASN 59 N -5.35 0.69 0.00 6.45 5.15 -0.44 -4.68 115.26 117.09 1q80 n ASN 59 Ca 0.15 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1q80 n ASN 59 Cb 0.50 0.71 0.00 0.00 -0.53 0.00 0.00 39.78 40.47 1q80 n ASN 59 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1q80 n PHE 60 N -1.66 0.00 1.97 1.20 3.72 -1.02 -4.92 117.46 116.75 1q80 n PHE 60 Ca 0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.57 1q80 n PHE 60 Cb 0.37 0.05 0.79 0.00 -0.94 0.00 0.00 39.48 39.74 1q80 n PHE 60 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 1q80 n LEU 61 N -1.50 0.00 0.22 4.37 -0.00 -1.22 -3.97 117.00 114.90 1q80 n LEU 61 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 1q80 n LEU 61 Cb 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 43.93 1q80 n LEU 61 CO 0.00 0.00 0.88 0.74 -0.00 0.00 0.00 177.39 179.01 1q80 h THR 62 N 0.00 1.08 0.00 1.47 2.02 -1.77 -3.14 112.91 112.57 1q80 h THR 62 Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1q80 h THR 62 Cb 0.00 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1q80 h THR 62 CO 0.00 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.09 1q80 n ALA 63 N -2.47 1.69 0.12 6.16 0.00 -1.25 -2.44 120.51 122.32 1q80 n ALA 63 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 1q80 n ALA 63 Cb 0.27 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 0.00 -0.43 0.00 2.07 -1.86 -3.38 116.25 112.66 1q80 h VAL 64 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1q80 h VAL 64 Cb 0.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1q80 h VAL 64 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1q80 n ALA 65 N -2.50 3.03 -1.37 1.67 0.00 -1.26 -5.01 120.51 115.08 1q80 n ALA 65 Ca -0.04 -1.86 -0.14 0.00 0.00 0.00 0.00 53.44 51.40 1q80 n ALA 65 Cb 0.14 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 0.28 1.32 0.00 0.00 0.00 -1.02 -3.87 105.19 101.89 1q80 n GLY 66 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.08 2.57 3.52 -0.02 0.00 -1.24 -5.02 105.19 104.90 1q80 n GLY 67 Ca -0.14 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1q80 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q80 s LYS 68 N 0.00 3.38 0.00 1.61 2.20 -1.25 -4.81 119.74 120.87 1q80 s LYS 68 Ca 0.00 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1q80 s LYS 68 Cb 0.00 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1q80 s LYS 68 CO 0.00 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1q80 n GLY 69 N 5.09 0.00 2.86 5.54 0.00 -1.26 -4.69 105.19 112.73 1q80 n GLY 69 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1q80 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q80 s ILE 70 N 0.00 1.01 0.93 -0.61 1.01 -0.79 -4.74 121.20 118.01 1q80 s ILE 70 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1q80 s ILE 70 Cb 0.00 -1.27 0.15 0.00 0.01 0.00 0.00 42.46 41.35 1q80 s ILE 70 CO 0.00 0.03 1.09 1.51 0.00 0.00 0.00 174.94 177.57 1q80 s ASP 71 N 1.66 3.18 0.25 3.58 1.47 -1.26 -1.13 116.67 124.42 1q80 s ASP 71 Ca -0.00 1.42 -0.03 0.00 1.18 0.00 0.00 52.55 55.12 1q80 s ASP 71 Cb -0.16 -2.10 0.41 0.00 -0.34 0.00 0.00 42.92 40.73 1q80 s ASP 71 CO -0.07 -2.81 1.84 -0.08 0.68 0.00 0.00 175.17 174.72 1q80 h GLU 72 N -1.67 0.94 0.51 2.11 4.81 -1.99 0.16 114.58 119.45 1q80 h GLU 72 Ca -0.51 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.64 1q80 h GLU 72 Cb 1.30 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1q80 h GLU 72 CO 0.55 0.62 -0.26 1.15 -0.73 0.00 0.00 179.01 180.34 1q80 h THR 73 N 0.96 0.48 -0.75 0.32 2.02 -1.93 -1.98 112.91 112.04 1q80 h THR 73 Ca 0.42 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.57 1q80 h THR 73 Cb 0.29 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1q80 h THR 73 CO -0.21 0.00 0.36 0.71 0.37 0.00 0.00 175.52 176.74 1q80 h THR 74 N -0.70 1.24 0.21 3.16 1.35 -1.89 -0.67 112.91 115.60 1q80 h THR 74 Ca -0.07 -0.67 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 1q80 h THR 74 Cb 0.54 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1q80 h THR 74 CO 0.11 0.28 -0.10 0.15 -0.25 0.00 0.00 175.52 175.71 1q80 h PHE 75 N 1.06 -0.26 0.12 4.73 3.57 -0.63 0.84 116.94 126.38 1q80 h PHE 75 Ca 0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1q80 h PHE 75 Cb 0.11 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1q80 h PHE 75 CO 0.01 -0.09 -0.06 0.82 -2.23 0.00 0.00 178.31 176.77 1q80 h ILE 76 N -0.38 0.97 0.31 1.41 1.08 -1.27 -1.20 117.51 118.43 1q80 h ILE 76 Ca -0.03 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1q80 h ILE 76 Cb 0.29 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1q80 h ILE 76 CO 0.05 0.09 -0.27 -1.13 -0.69 0.00 0.00 178.15 176.20 1q80 h ASN 77 N -0.33 -0.71 -0.34 1.72 -0.73 -1.15 -1.62 115.58 112.41 1q80 h ASN 77 Ca -0.02 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 1q80 h ASN 77 Cb 0.27 0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1q80 h ASN 77 CO 0.03 -0.40 0.13 0.77 -0.37 0.00 0.00 177.43 177.59 1q80 h SER 78 N -0.60 0.47 -0.61 1.15 4.64 -0.91 -3.18 113.55 114.52 1q80 h SER 78 Ca -0.02 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1q80 h SER 78 Cb 0.53 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1q80 h SER 78 CO -0.03 0.52 0.35 0.24 -0.87 0.00 0.00 176.83 177.04 1q80 h MET 79 N 0.40 0.66 -0.57 4.77 2.86 -1.20 -1.60 114.93 120.26 1q80 h MET 79 Ca 0.11 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.83 1q80 h MET 79 Cb 0.19 -0.15 -0.10 0.00 0.06 0.00 0.00 31.60 31.60 1q80 h MET 79 CO -0.01 0.44 -0.06 0.87 1.06 0.00 0.00 176.91 179.21 1q80 h LYS 80 N 0.68 0.07 0.25 1.72 1.79 -1.27 -2.54 116.57 117.26 1q80 h LYS 80 Ca 0.26 -0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.39 1q80 h LYS 80 Cb 0.09 -0.01 0.04 0.00 -1.58 0.00 0.00 32.23 30.76 1q80 h LYS 80 CO -0.13 0.04 -1.47 1.49 -1.08 0.00 0.00 179.45 178.30 1q80 h GLU 81 N 0.07 0.52 -0.15 3.15 4.57 -1.58 -3.37 114.58 117.79 1q80 h GLU 81 Ca 0.29 -0.89 0.04 0.00 -1.18 0.00 0.00 59.36 57.62 1q80 h GLU 81 Cb 0.45 0.33 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1q80 h GLU 81 CO -0.53 1.43 0.17 0.52 -1.18 0.00 0.00 179.01 179.43 1q80 h MET 82 N 0.14 0.00 0.00 1.92 2.86 -1.16 -2.58 114.93 116.12 1q80 h MET 82 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1q80 h MET 82 Cb 2.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.82 1q80 h MET 82 CO 0.27 0.00 0.00 -0.24 1.06 0.00 0.00 176.91 178.00 1q80 h VAL 83 N 0.00 0.00 0.03 -2.22 3.04 -1.62 -3.20 116.25 112.29 1q80 h VAL 83 Ca 0.07 -0.49 -0.24 0.00 -1.01 0.00 0.00 66.70 65.03 1q80 h VAL 83 Cb 0.42 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1q80 h VAL 83 CO -0.00 0.00 -1.01 0.11 -1.01 0.00 0.00 177.57 175.66 1q80 h LYS 84 N 0.00 0.39 -6.32 4.17 1.57 -1.69 -3.45 116.57 111.24 1q80 h LYS 84 Ca 0.00 -0.46 -0.57 0.00 -1.87 0.00 0.00 60.65 57.75 1q80 h LYS 84 Cb 0.49 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1q80 h LYS 84 CO 0.00 1.14 1.13 1.21 -0.57 0.00 0.00 179.45 182.36 1q80 s ASN 85 N -7.11 6.32 0.60 0.86 3.84 -1.21 -4.94 114.94 113.30 1q80 s ASN 85 Ca -0.06 1.43 0.31 0.00 0.21 0.00 0.00 52.86 54.76 1q80 s ASN 85 Cb 0.08 -2.53 1.87 0.00 -0.55 0.00 0.00 41.25 40.12 1q80 s ASN 85 CO 0.87 -1.34 2.25 1.55 -2.79 0.00 0.00 177.10 177.64 1q80 h PRO 86 N 10.96 0.00 -0.15 0.43 0.13 -1.89 -3.12 132.00 138.37 1q80 h PRO 86 Ca -0.32 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.65 1q80 h PRO 86 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1q80 h PRO 86 CO 1.02 0.00 -0.52 0.93 -0.23 0.00 0.00 178.00 179.19 1q80 h GLU 87 N 0.00 0.62 -0.00 0.86 3.07 -1.95 -3.34 114.58 113.84 1q80 h GLU 87 Ca 0.01 -0.47 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1q80 h GLU 87 Cb 0.07 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1q80 h GLU 87 CO -0.00 1.09 -0.06 0.00 -1.40 0.00 0.00 179.01 178.64 1q80 n ALA 88 N -2.55 2.66 -0.18 3.43 0.00 -1.18 -4.46 120.51 118.22 1q80 n ALA 88 Ca -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.13 1q80 n ALA 88 Cb 0.61 -1.40 0.09 0.00 0.00 0.00 0.00 19.45 18.74 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 0.35 0.35 0.00 0.00 1.57 -1.69 -2.32 116.57 114.84 1q80 h LYS 89 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1q80 h LYS 89 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1q80 h LYS 89 CO 0.00 0.23 0.00 0.43 -0.57 0.00 0.00 179.45 179.54 1q80 n SER 90 N -5.02 0.00 0.11 0.86 7.64 -1.26 -1.75 113.62 114.20 1q80 n SER 90 Ca 0.07 0.49 -0.03 0.00 1.01 0.00 0.00 58.87 60.42 1q80 n SER 90 Cb 0.25 -0.49 0.17 0.00 -1.01 0.00 0.00 64.21 63.13 1q80 n SER 90 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1q80 h VAL 91 N 0.00 1.38 0.14 0.44 -1.51 -1.74 0.11 116.25 115.07 1q80 h VAL 91 Ca 0.00 -1.89 -0.19 0.00 -1.23 0.00 0.00 66.70 63.39 1q80 h VAL 91 Cb 0.06 1.97 0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1q80 h VAL 91 CO 0.00 0.55 -0.81 1.62 -1.23 0.00 0.00 177.57 177.70 1q80 h VAL 92 N 0.11 1.51 0.07 7.19 3.04 -1.52 -3.41 116.25 123.25 1q80 h VAL 92 Ca -0.00 -2.54 -0.33 0.00 -1.01 0.00 0.00 66.70 62.82 1q80 h VAL 92 Cb 1.02 3.20 -0.03 0.00 -2.01 0.00 0.00 31.29 33.47 1q80 h VAL 92 CO 0.08 0.72 -1.83 1.05 -1.01 0.00 0.00 177.57 176.58 1q80 h GLU 93 N -0.37 0.14 -1.25 4.17 -0.00 -1.65 -3.41 114.58 112.21 1q80 h GLU 93 Ca -0.14 -0.25 0.39 0.00 -0.00 0.00 0.00 59.36 59.36 1q80 h GLU 93 Cb 1.64 0.09 -0.12 0.00 -0.00 0.00 0.00 28.75 30.37 1q80 h GLU 93 CO 0.15 0.88 0.81 0.78 -0.00 0.00 0.00 179.01 181.63 1q80 h GLY 94 N 2.24 1.25 1.90 1.06 0.00 -1.00 -1.96 103.07 106.56 1q80 h GLY 94 Ca -0.35 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1q80 h GLY 94 CO 0.09 -0.32 0.05 -2.55 0.00 0.00 0.00 176.54 173.81 1q80 h PRO 95 N 0.16 0.00 -0.04 4.80 0.11 -1.80 -3.32 132.00 131.91 1q80 h PRO 95 Ca 0.76 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.88 1q80 h PRO 95 Cb 2.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 33.40 1q80 h PRO 95 CO -0.38 0.00 -0.06 1.25 -0.21 0.00 0.00 178.00 178.61 1q80 h LEU 96 N 0.00 -0.17 -1.42 2.35 5.85 -1.69 -1.70 115.31 118.54 1q80 h LEU 96 Ca 0.00 0.03 0.25 0.00 0.84 0.00 0.00 57.88 59.00 1q80 h LEU 96 Cb 0.10 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 1q80 h LEU 96 CO -0.00 -0.08 0.65 -0.65 -0.34 0.00 0.00 178.44 178.02 1q80 h PRO 97 N -0.08 0.39 -0.20 5.25 0.11 -1.83 -1.25 132.00 134.39 1q80 h PRO 97 Ca 0.04 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 1q80 h PRO 97 Cb 0.13 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1q80 h PRO 97 CO -0.08 0.26 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.70 1q80 h LEU 98 N 0.40 0.52 -1.33 2.35 4.07 -1.71 -3.14 115.31 116.48 1q80 h LEU 98 Ca 0.55 -0.47 0.06 0.00 0.08 0.00 0.00 57.88 58.10 1q80 h LEU 98 Cb 1.40 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 42.94 1q80 h LEU 98 CO -0.25 0.89 0.50 -0.26 -1.08 0.00 0.00 178.44 178.24 1q80 h PHE 99 N 0.16 0.83 -0.06 1.13 0.04 -0.33 -1.94 116.94 116.77 1q80 h PHE 99 Ca 0.03 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1q80 h PHE 99 Cb 0.74 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 1q80 h PHE 99 CO 0.08 0.45 -0.20 0.35 -0.60 0.00 0.00 178.31 178.38 1q80 h PHE 100 N 0.82 -0.53 -0.36 -0.55 3.57 -1.23 -1.07 116.94 117.59 1q80 h PHE 100 Ca 0.32 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 1q80 h PHE 100 Cb 0.21 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1q80 h PHE 100 CO -0.00 -0.28 -0.16 -0.09 -2.23 0.00 0.00 178.31 175.55 1q80 h ARG 101 N -0.29 0.66 -0.47 1.11 1.12 -1.49 -2.99 114.38 112.03 1q80 h ARG 101 Ca 0.08 -0.22 -0.07 0.00 -1.11 0.00 0.00 59.98 58.65 1q80 h ARG 101 Cb 0.40 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.29 1q80 h ARG 101 CO -0.23 0.78 -0.00 0.00 -3.11 0.00 0.00 179.97 177.41 1q80 h ALA 102 N 1.24 1.12 0.00 2.80 0.00 -1.14 -3.23 119.26 120.05 1q80 h ALA 102 Ca 0.10 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1q80 h ALA 102 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1q80 h ALA 102 CO 0.04 0.56 -0.30 0.28 0.00 0.00 0.00 179.25 179.83 1q80 h VAL 103 N 0.72 0.56 0.00 0.00 2.07 -1.17 -3.42 116.25 115.02 1q80 h VAL 103 Ca 0.14 -1.61 -0.28 0.00 0.82 0.00 0.00 66.70 65.77 1q80 h VAL 103 Cb 0.45 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1q80 h VAL 103 CO 0.02 0.30 2.11 -0.67 0.02 0.00 0.00 177.57 179.35 1q80 n ASP 104 N -3.23 3.35 0.24 0.57 2.03 -1.14 -4.75 116.55 113.62 1q80 n ASP 104 Ca 0.02 -2.24 0.18 0.00 0.52 0.00 0.00 54.79 53.27 1q80 n ASP 104 Cb 0.60 -0.91 0.88 0.00 -0.72 0.00 0.00 41.12 40.96 1q80 n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q80 h THR 105 N 3.66 0.36 0.00 5.18 1.03 -1.87 -2.12 112.91 119.15 1q80 h THR 105 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.74 1q80 h THR 105 Cb 0.14 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.05 1q80 h THR 105 CO 1.34 0.00 -1.14 -0.46 -0.01 0.00 0.00 175.52 175.25 1q80 n ASN 106 N -3.60 0.62 -1.75 0.00 0.23 -1.26 -2.20 115.26 107.29 1q80 n ASN 106 Ca 0.01 -0.39 -0.05 0.00 -0.53 0.00 0.00 54.58 53.62 1q80 n ASN 106 Cb 0.30 1.01 0.03 0.00 -2.08 0.00 0.00 39.78 39.04 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 -1.86 -2.05 0.00 -3.83 4.07 -0.80 -4.84 120.64 111.32 1q80 n GLU 107 Ca 0.02 0.26 0.06 0.00 -0.06 0.00 0.00 57.16 57.44 1q80 n GLU 107 Cb 0.42 -3.54 -0.06 0.00 -0.06 0.00 0.00 31.44 28.20 1q80 n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1q80 n ASP 108 N -1.66 0.68 0.00 4.31 5.68 -1.26 -5.03 116.55 119.27 1q80 n ASP 108 Ca -0.09 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1q80 n ASP 108 Cb 0.55 0.92 0.00 0.00 -1.14 0.00 0.00 41.12 41.46 1q80 n ASP 108 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1q80 n ASN 109 N -1.12 -1.46 -3.91 -1.12 3.02 -1.26 -5.03 115.26 104.38 1q80 n ASN 109 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.47 1q80 n ASN 109 Cb 0.20 -0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 39.00 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1q80 s ASN 110 N -2.51 0.09 -0.34 6.41 0.01 -1.26 -4.59 114.94 112.75 1q80 s ASN 110 Ca 0.00 -0.28 -0.13 0.00 -0.71 0.00 0.00 52.86 51.74 1q80 s ASN 110 Cb 0.00 0.17 -0.02 0.00 0.41 0.00 0.00 41.25 41.81 1q80 s ASN 110 CO 0.00 -0.32 0.24 -0.63 -1.51 0.00 0.00 177.10 174.88 1q80 s ILE 111 N -1.30 5.29 0.73 0.60 1.01 -0.47 -4.83 121.20 122.22 1q80 s ILE 111 Ca -0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 1q80 s ILE 111 Cb -0.08 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.74 1q80 s ILE 111 CO 0.01 0.01 1.07 -0.94 0.00 0.00 0.00 174.94 175.08 1q80 s SER 112 N 1.73 4.88 0.34 3.58 1.04 -1.26 -0.95 113.70 123.06 1q80 s SER 112 Ca 0.06 0.68 0.07 0.00 0.48 0.00 0.00 55.95 57.25 1q80 s SER 112 Cb -0.17 -1.34 0.76 0.00 0.10 0.00 0.00 66.02 65.37 1q80 s SER 112 CO 0.11 -1.61 1.86 0.03 0.98 0.00 0.00 173.24 174.61 1q80 h ARG 113 N -0.71 0.74 -0.21 4.02 3.08 -1.95 -1.49 114.38 117.86 1q80 h ARG 113 Ca -0.45 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 1q80 h ARG 113 Cb 1.31 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1q80 h ARG 113 CO 0.63 0.49 -0.06 0.22 -1.07 0.00 0.00 179.97 180.17 1q80 h ASP 114 N 0.76 0.42 -0.71 7.04 3.58 -1.94 -1.46 116.42 124.11 1q80 h ASP 114 Ca 0.46 -0.38 0.01 0.00 0.42 0.00 0.00 57.03 57.55 1q80 h ASP 114 Cb 0.68 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 1q80 h ASP 114 CO -0.22 0.70 0.47 -0.33 -2.88 0.00 0.00 179.24 176.98 1q80 h GLU 115 N 0.14 0.91 -0.57 0.28 3.07 -1.80 0.23 114.58 116.85 1q80 h GLU 115 Ca 0.05 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1q80 h GLU 115 Cb 0.52 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1q80 h GLU 115 CO 0.02 0.60 0.18 -0.92 -1.40 0.00 0.00 179.01 177.49 1q80 h TYR 116 N 0.94 0.91 -0.55 4.33 3.20 -1.31 -1.25 116.97 123.23 1q80 h TYR 116 Ca 0.27 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1q80 h TYR 116 Cb -0.07 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.91 1q80 h TYR 116 CO -0.03 0.76 0.35 0.78 -1.64 0.00 0.00 178.16 178.39 1q80 h GLY 117 N 0.79 0.79 0.98 1.82 0.00 -0.86 -1.53 103.07 105.06 1q80 h GLY 117 Ca 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1q80 h GLY 117 CO -0.01 0.30 0.25 -2.22 0.00 0.00 0.00 176.54 174.87 1q80 h ILE 118 N 0.74 1.17 -0.22 2.60 5.03 -0.90 -1.27 117.51 124.67 1q80 h ILE 118 Ca 0.20 -0.46 0.05 0.00 -0.12 0.00 0.00 64.86 64.53 1q80 h ILE 118 Cb -0.06 0.60 -0.05 0.00 -3.03 0.00 0.00 36.82 34.29 1q80 h ILE 118 CO -0.04 0.19 -0.11 0.15 -0.68 0.00 0.00 178.15 177.65 1q80 h PHE 119 N 0.63 -0.26 0.13 1.37 3.57 -1.07 -1.00 116.94 120.30 1q80 h PHE 119 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1q80 h PHE 119 Cb 0.07 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1q80 h PHE 119 CO -0.02 -0.17 -0.13 0.74 -2.23 0.00 0.00 178.31 176.51 1q80 h PHE 120 N -0.09 -0.33 -0.72 0.41 -1.00 -1.11 -2.27 116.94 111.84 1q80 h PHE 120 Ca 0.12 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.98 1q80 h PHE 120 Cb 0.26 0.13 -0.06 0.00 3.61 0.00 0.00 35.95 39.89 1q80 h PHE 120 CO -0.28 -0.19 0.39 0.78 -1.61 0.00 0.00 178.31 177.41 1q80 h GLY 121 N -0.28 1.08 0.91 -1.45 0.00 -1.06 -0.41 103.07 101.86 1q80 h GLY 121 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1q80 h GLY 121 CO -0.03 0.13 0.06 1.98 0.00 0.00 0.00 176.54 178.68 1q80 h MET 122 N 0.70 0.56 0.00 4.80 -1.53 -1.13 -2.52 114.93 115.81 1q80 h MET 122 Ca 0.34 -0.15 0.00 0.00 -3.44 0.00 0.00 59.70 56.45 1q80 h MET 122 Cb 0.27 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.25 1q80 h MET 122 CO -0.22 0.63 0.00 1.28 0.14 0.00 0.00 176.91 178.75 1q80 n LEU 123 N -4.60 0.15 -0.49 3.39 4.77 -0.86 -4.92 117.00 114.44 1q80 n LEU 123 Ca -0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1q80 n LEU 123 Cb 0.22 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1q80 n LEU 123 CO 0.38 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1q80 n GLY 124 N -0.40 0.92 3.73 -0.72 0.00 -0.95 -4.96 105.19 102.80 1q80 n GLY 124 Ca 0.02 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.99 3.36 -0.60 0.99 1.02 -0.20 -5.02 118.68 117.24 1q80 s LEU 125 Ca 0.00 -0.62 -0.27 0.00 0.02 0.00 0.00 54.13 53.26 1q80 s LEU 125 Cb 0.00 -1.87 0.03 0.00 0.02 0.00 0.00 46.19 44.37 1q80 s LEU 125 CO 0.00 -0.15 1.17 -0.62 0.02 0.00 0.00 176.35 176.77 1q80 s ASP 126 N -3.80 6.39 0.65 2.29 2.15 -1.26 -4.27 116.67 118.82 1q80 s ASP 126 Ca 0.35 -0.04 0.22 0.00 0.43 0.00 0.00 52.55 53.51 1q80 s ASP 126 Cb -0.05 -2.54 1.12 0.00 -0.30 0.00 0.00 42.92 41.15 1q80 s ASP 126 CO 0.22 -1.50 1.62 0.07 -0.17 0.00 0.00 175.17 175.42 1q80 h LYS 127 N 9.58 0.00 -0.09 4.34 5.09 -1.90 -1.79 116.57 131.80 1q80 h LYS 127 Ca -0.26 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.50 1q80 h LYS 127 Cb 1.06 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.38 1q80 h LYS 127 CO 1.19 0.00 0.06 1.79 -2.09 0.00 0.00 179.45 180.40 1q80 h THR 128 N 0.00 0.98 0.00 0.07 1.35 -2.00 -2.29 112.91 111.02 1q80 h THR 128 Ca 0.08 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 65.88 1q80 h THR 128 Cb 1.29 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1q80 h THR 128 CO -0.00 0.01 -0.19 0.24 -0.25 0.00 0.00 175.52 175.33 1q80 h MET 129 N 0.05 0.00 -0.30 4.72 2.86 -1.74 -3.39 114.93 117.13 1q80 h MET 129 Ca 0.04 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1q80 h MET 129 Cb 0.09 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 1q80 h MET 129 CO -0.00 0.19 -0.15 0.00 1.06 0.00 0.00 176.91 178.00 1q80 h ALA 130 N 1.81 0.09 -0.29 6.32 0.00 -1.58 -1.55 119.26 124.07 1q80 h ALA 130 Ca -0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1q80 h ALA 130 Cb 1.02 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1q80 h ALA 130 CO 0.02 -0.54 0.09 -1.00 0.00 0.00 0.00 179.25 177.82 1q80 h PRO 131 N -0.11 0.21 -0.71 0.00 0.13 -1.75 -0.17 132.00 129.60 1q80 h PRO 131 Ca 0.16 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.31 1q80 h PRO 131 Cb 0.35 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.38 1q80 h PRO 131 CO -0.37 0.14 0.44 0.00 -0.23 0.00 0.00 178.00 177.97 1q80 h ALA 132 N 1.19 0.93 -0.20 -0.56 0.00 -1.76 -0.25 119.26 118.61 1q80 h ALA 132 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1q80 h ALA 132 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1q80 h ALA 132 CO -0.14 0.20 -0.11 1.03 0.00 0.00 0.00 179.25 180.23 1q80 h SER 133 N 0.85 0.44 -0.21 0.00 0.87 -1.17 -3.26 113.55 111.07 1q80 h SER 133 Ca 0.29 -0.42 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1q80 h SER 133 Cb 0.05 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1q80 h SER 133 CO -0.12 0.76 0.07 0.15 -0.53 0.00 0.00 176.83 177.16 1q80 h PHE 134 N 0.12 0.13 -0.38 2.24 3.04 -0.88 -3.07 116.94 118.15 1q80 h PHE 134 Ca 0.04 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.08 1q80 h PHE 134 Cb 0.60 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 1q80 h PHE 134 CO 0.07 0.06 0.26 -0.44 -2.02 0.00 0.00 178.31 176.24 1q80 h ASP 135 N 0.17 0.14 0.51 0.41 3.32 -1.14 -1.26 116.42 118.58 1q80 h ASP 135 Ca 0.09 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1q80 h ASP 135 Cb 0.06 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1q80 h ASP 135 CO -0.10 0.09 -0.32 0.00 -1.72 0.00 0.00 179.24 177.20 1q80 h ALA 136 N 1.81 1.25 0.07 3.45 0.00 -1.57 -3.34 119.26 120.93 1q80 h ALA 136 Ca 0.17 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1q80 h ALA 136 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1q80 h ALA 136 CO -0.03 0.39 -1.23 0.82 0.00 0.00 0.00 179.25 179.21 1q80 h ILE 137 N 0.00 1.07 -0.12 0.00 2.04 -1.38 -3.45 117.51 115.68 1q80 h ILE 137 Ca -0.00 -2.33 -0.23 0.00 1.00 0.00 0.00 64.86 63.30 1q80 h ILE 137 Cb 0.65 2.65 0.03 0.00 -0.74 0.00 0.00 36.82 39.42 1q80 h ILE 137 CO 0.04 0.60 0.63 -0.67 0.00 0.00 0.00 178.15 178.75 1q80 n ASP 138 N -4.12 1.60 0.15 1.72 2.03 -0.57 -4.82 116.55 112.53 1q80 n ASP 138 Ca -0.25 -2.54 0.01 0.00 0.52 0.00 0.00 54.79 52.53 1q80 n ASP 138 Cb 0.80 -1.41 0.32 0.00 -0.72 0.00 0.00 41.12 40.11 1q80 n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q80 h THR 139 N 6.08 1.27 -0.00 5.18 1.03 -1.86 -3.07 112.91 121.54 1q80 h THR 139 Ca 0.12 -1.30 0.00 0.00 -0.01 0.00 0.00 66.41 65.22 1q80 h THR 139 Cb 0.90 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 1q80 h THR 139 CO 1.34 0.38 -0.42 -0.46 -0.01 0.00 0.00 175.52 176.35 1q80 n ASN 140 N -4.09 0.69 -1.16 0.00 6.94 -1.26 -5.01 115.26 111.36 1q80 n ASN 140 Ca -0.02 -0.48 -0.12 0.00 -0.02 0.00 0.00 54.58 53.94 1q80 n ASN 140 Cb 0.41 0.21 -0.03 0.00 -2.36 0.00 0.00 39.78 38.02 1q80 n ASN 140 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1q80 n ASN 141 N -1.20 -4.17 0.01 0.53 5.03 -1.16 -4.97 115.26 109.33 1q80 n ASN 141 Ca 0.08 0.15 0.13 0.00 0.87 0.00 0.00 54.58 55.81 1q80 n ASN 141 Cb 0.34 -3.06 0.43 0.00 -1.02 0.00 0.00 39.78 36.48 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1q80 n ASP 142 N -0.14 0.29 0.00 6.41 8.00 -1.26 -4.96 116.55 124.88 1q80 n ASP 142 Ca -0.13 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1q80 n ASP 142 Cb 0.50 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1q80 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q80 n GLY 143 N 1.48 0.69 3.30 0.44 0.00 -1.26 -5.08 105.19 104.75 1q80 n GLY 143 Ca 0.06 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 2.53 -0.27 0.99 2.01 -1.26 -2.92 118.68 119.76 1q80 s LEU 144 Ca 0.00 -0.99 -0.00 0.00 0.01 0.00 0.00 54.13 53.15 1q80 s LEU 144 Cb 0.00 -0.54 0.05 0.00 0.01 0.00 0.00 46.19 45.70 1q80 s LEU 144 CO 0.00 -0.22 -0.05 -0.76 1.01 0.00 0.00 176.35 176.32 1q80 s LEU 145 N -3.15 3.54 0.65 1.79 1.43 -0.12 -4.63 118.68 118.19 1q80 s LEU 145 Ca 0.19 -1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 51.99 1q80 s LEU 145 Cb -0.00 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 1q80 s LEU 145 CO 0.04 -0.20 1.03 -0.55 0.23 0.00 0.00 176.35 176.90 1q80 s SER 146 N 1.22 5.83 0.20 2.29 0.15 -1.26 -1.37 113.70 120.76 1q80 s SER 146 Ca -0.05 1.20 -0.10 0.00 0.70 0.00 0.00 55.95 57.70 1q80 s SER 146 Cb -0.19 -2.15 0.24 0.00 -1.71 0.00 0.00 66.02 62.21 1q80 s SER 146 CO -0.03 -1.08 1.76 0.25 1.20 0.00 0.00 173.24 175.34 1q80 h LEU 147 N -0.42 0.31 -0.08 3.45 5.85 -2.00 -1.00 115.31 121.42 1q80 h LEU 147 Ca -0.45 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1q80 h LEU 147 Cb 1.22 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1q80 h LEU 147 CO 0.63 0.20 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.82 1q80 h GLU 148 N 0.47 -0.01 -0.26 1.25 4.22 -1.99 -0.86 114.58 117.40 1q80 h GLU 148 Ca 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.72 1q80 h GLU 148 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1q80 h GLU 148 CO -0.25 -0.01 0.15 0.93 -2.18 0.00 0.00 179.01 177.66 1q80 h GLU 149 N -0.01 0.35 0.16 1.92 5.08 -1.88 -1.75 114.58 118.45 1q80 h GLU 149 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1q80 h GLU 149 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1q80 h GLU 149 CO -0.09 0.30 -0.15 0.35 -1.00 0.00 0.00 179.01 178.42 1q80 h PHE 150 N 0.31 -0.38 -0.83 4.33 3.57 -1.12 -1.56 116.94 121.27 1q80 h PHE 150 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1q80 h PHE 150 Cb 0.04 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1q80 h PHE 150 CO -0.04 -0.22 0.52 -0.39 -2.23 0.00 0.00 178.31 175.94 1q80 h VAL 151 N -0.33 1.22 0.65 1.41 -1.51 -1.11 0.12 116.25 116.70 1q80 h VAL 151 Ca 0.00 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.99 1q80 h VAL 151 Cb 0.31 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.51 1q80 h VAL 151 CO -0.03 0.23 -0.38 0.40 -1.23 0.00 0.00 177.57 176.55 1q80 h ILE 152 N 1.13 0.22 -0.48 7.19 2.04 -1.19 -1.18 117.51 125.23 1q80 h ILE 152 Ca 0.30 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.14 1q80 h ILE 152 Cb -0.08 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1q80 h ILE 152 CO -0.06 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.30 1q80 h ALA 153 N -0.69 0.62 -0.35 1.87 0.00 -1.21 -1.65 119.26 117.85 1q80 h ALA 153 Ca -0.08 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1q80 h ALA 153 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1q80 h ALA 153 CO 0.09 0.20 -0.33 0.78 0.00 0.00 0.00 179.25 180.00 1q80 h GLY 154 N 0.63 0.91 1.00 0.00 0.00 -0.82 -0.86 103.07 103.93 1q80 h GLY 154 Ca 0.16 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1q80 h GLY 154 CO -0.02 0.84 0.42 0.23 0.00 0.00 0.00 176.54 178.00 1q80 h SER 155 N 0.63 0.84 -0.65 0.19 0.87 -1.24 -2.47 113.55 111.71 1q80 h SER 155 Ca 0.06 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1q80 h SER 155 Cb 0.91 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 1q80 h SER 155 CO 0.08 0.66 0.36 -0.78 -0.53 0.00 0.00 176.83 176.63 1q80 h ASP 156 N 0.95 0.55 -0.37 6.23 1.82 -1.23 -1.48 116.42 122.89 1q80 h ASP 156 Ca 0.25 0.03 0.08 0.00 -0.39 0.00 0.00 57.03 56.99 1q80 h ASP 156 Cb -0.02 -0.08 -0.08 0.00 0.68 0.00 0.00 39.33 39.83 1q80 h ASP 156 CO -0.05 0.36 -0.13 0.15 -1.61 0.00 0.00 179.24 177.96 1q80 h PHE 157 N 0.68 -0.29 -0.06 0.28 3.04 -0.72 -0.50 116.94 119.37 1q80 h PHE 157 Ca 0.29 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.23 1q80 h PHE 157 Cb 0.17 0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1q80 h PHE 157 CO -0.08 -0.20 -0.13 0.74 -2.02 0.00 0.00 178.31 176.62 1q80 h PHE 158 N -0.05 0.24 0.11 0.41 0.04 -1.18 -3.41 116.94 113.11 1q80 h PHE 158 Ca 0.18 -0.09 -0.35 0.00 2.80 0.00 0.00 57.97 60.52 1q80 h PHE 158 Cb 0.33 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1q80 h PHE 158 CO -0.37 0.73 -1.89 0.00 -0.60 0.00 0.00 178.31 176.18 1q80 h MET 159 N -0.32 0.23 -6.28 1.51 -0.00 -1.28 -3.48 114.93 105.31 1q80 h MET 159 Ca 0.00 -0.39 -0.54 0.00 -0.00 0.00 0.00 59.70 58.77 1q80 h MET 159 Cb 0.72 0.15 -0.04 0.00 -0.00 0.00 0.00 31.60 32.43 1q80 h MET 159 CO 0.03 1.08 0.22 1.21 -0.00 0.00 0.00 176.91 179.46 1q80 s ASN 160 N -6.88 7.23 -0.16 -0.10 2.47 -0.20 -4.99 114.94 112.30 1q80 s ASN 160 Ca -0.17 1.47 0.16 0.00 0.42 0.00 0.00 52.86 54.74 1q80 s ASN 160 Cb 0.07 -2.50 0.57 0.00 -1.45 0.00 0.00 41.25 37.94 1q80 s ASN 160 CO 0.79 -0.11 1.48 0.47 -3.72 0.00 0.00 177.10 176.01 1q80 n ASP 161 N 3.41 4.19 0.00 -4.21 9.92 -1.26 -4.76 116.55 123.84 1q80 n ASP 161 Ca 0.01 -2.79 0.00 0.00 -0.53 0.00 0.00 54.79 51.48 1q80 n ASP 161 Cb 0.51 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1q80 n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q80 n GLY 162 N 0.03 0.99 0.00 0.44 0.00 -1.26 -4.86 105.19 100.53 1q80 n GLY 162 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1q80 n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q80 n ASP 163 N 0.00 0.00 -0.77 1.61 5.68 -1.26 -5.08 116.55 116.73 1q80 n ASP 163 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1q80 n ASP 163 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1q80 n ASP 163 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1q80 n SER 164 N 0.00 -4.71 0.00 -1.12 7.64 -1.26 -4.63 113.62 109.54 1q80 n SER 164 Ca 0.00 0.59 0.03 0.00 1.01 0.00 0.00 58.87 60.50 1q80 n SER 164 Cb 0.00 -1.75 0.15 0.00 -1.01 0.00 0.00 64.21 61.59 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 -0.84 1.41 0.22 0.44 -2.24 -1.26 -3.39 114.28 108.62 1q80 n THR 165 Ca 0.00 0.35 0.12 0.00 -2.27 0.00 0.00 64.05 62.25 1q80 n THR 165 Cb 0.00 -1.24 0.29 0.00 -2.10 0.00 0.00 70.33 67.28 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 0.65 3.42 -1.07 -1.86 -3.29 115.58 113.44 1q80 h ASN 166 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1q80 h ASN 166 Cb 0.10 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.35 1q80 h ASN 166 CO 0.00 0.09 0.00 2.29 0.07 0.00 0.00 177.43 179.88 1q80 n LYS 167 N -3.14 0.10 -2.46 4.14 2.85 -1.22 -3.06 118.16 115.37 1q80 n LYS 167 Ca 0.03 0.11 -0.43 0.00 -1.05 0.00 0.00 58.31 56.97 1q80 n LYS 167 Cb 0.50 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.38 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 -1.43 4.48 0.01 0.58 0.24 -1.24 -4.71 118.33 116.26 1q80 n VAL 168 Ca 0.07 -4.63 -0.22 0.00 -2.04 0.00 0.00 64.34 57.53 1q80 n VAL 168 Cb 0.23 -2.33 -0.14 0.00 -1.47 0.00 0.00 33.84 30.14 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 5.77 0.51 -1.06 6.34 3.04 -1.81 -3.45 116.94 126.28 1q80 h PHE 169 Ca 0.36 -0.37 -0.68 0.00 3.98 0.00 0.00 57.97 61.26 1q80 h PHE 169 Cb 0.64 -0.02 -0.29 0.00 2.56 0.00 0.00 35.95 38.84 1q80 h PHE 169 CO 1.21 1.76 0.84 0.91 -2.02 0.00 0.00 178.31 181.01 1q80 n TRP 170 N -3.55 3.21 -4.52 0.41 7.02 -1.26 -5.07 117.44 113.68 1q80 n TRP 170 Ca -0.31 -2.97 0.00 0.00 -1.02 0.00 0.00 57.50 53.21 1q80 n TRP 170 Cb 1.04 -1.41 0.00 0.00 -2.42 0.00 0.00 31.31 28.52 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 -0.89 0.24 3.73 6.99 0.00 -1.26 -4.90 105.19 109.11 1q80 n GLY 171 Ca 0.62 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 2.65 -1.02 1.61 0.02 -1.26 -4.85 135.00 132.15 1q80 s PRO 172 Ca 0.00 2.11 -0.22 0.00 0.02 0.00 0.00 61.00 62.91 1q80 s PRO 172 Cb 0.00 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 1q80 s PRO 172 CO 0.00 -1.54 1.93 1.28 -0.33 0.00 0.00 177.00 178.34 1q80 n LEU 173 N -1.75 3.84 0.00 -5.54 4.77 -1.26 -4.95 117.00 112.11 1q80 n LEU 173 Ca 0.15 -3.15 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 1q80 n LEU 173 Cb 0.47 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1q80 n LEU 173 CO 0.48 -0.89 0.00 0.55 -1.33 0.00 0.00 177.39 176.20