#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 -0.40 -0.64 -3.46 1.82 -2.00 -1.30 116.42 110.44 1q80 h ASP 2 Ca 0.00 0.06 0.05 0.00 -0.39 0.00 0.00 57.03 56.75 1q80 h ASP 2 Cb 0.00 0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.14 1q80 h ASP 2 CO 0.00 -0.19 0.36 0.25 -1.61 0.00 0.00 179.24 178.05 1q80 h LEU 3 N -0.22 0.56 0.16 2.28 6.46 -1.98 -0.12 115.31 122.44 1q80 h LEU 3 Ca 0.06 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1q80 h LEU 3 Cb 0.29 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1q80 h LEU 3 CO -0.15 0.37 -0.08 -0.25 -0.62 0.00 0.00 178.44 177.71 1q80 h TRP 4 N 0.69 -0.20 0.10 1.25 7.01 -1.90 -1.33 115.95 121.56 1q80 h TRP 4 Ca 0.27 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1q80 h TRP 4 Cb 0.13 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 1q80 h TRP 4 CO -0.07 0.06 -0.10 0.28 -2.79 0.00 0.00 178.44 175.82 1q80 h VAL 5 N -0.46 0.77 -0.78 2.65 2.07 -1.12 -1.88 116.25 117.51 1q80 h VAL 5 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1q80 h VAL 5 Cb 0.36 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1q80 h VAL 5 CO 0.04 0.00 0.40 1.56 0.02 0.00 0.00 177.57 179.59 1q80 h GLN 6 N -0.22 1.09 -0.17 1.57 4.20 -1.10 -1.58 115.11 118.91 1q80 h GLN 6 Ca 0.01 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1q80 h GLN 6 Cb 0.22 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1q80 h GLN 6 CO -0.03 0.82 -0.05 1.57 -0.67 0.00 0.00 178.83 180.47 1q80 h LYS 7 N 1.09 0.33 -0.68 1.46 2.10 -1.13 -0.76 116.57 118.99 1q80 h LYS 7 Ca 0.27 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.78 1q80 h LYS 7 Cb 0.07 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.35 1q80 h LYS 7 CO -0.04 0.61 0.37 1.98 -2.00 0.00 0.00 179.45 180.37 1q80 h MET 8 N 0.03 0.95 -0.52 0.07 4.05 -1.31 -1.71 114.93 116.49 1q80 h MET 8 Ca 0.04 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 1q80 h MET 8 Cb 0.50 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1q80 h MET 8 CO 0.02 0.72 0.09 -0.22 0.23 0.00 0.00 176.91 177.75 1q80 h LYS 9 N 0.93 0.81 0.18 0.39 3.11 -1.32 -0.95 116.57 119.72 1q80 h LYS 9 Ca 0.24 -0.18 0.01 0.00 -2.81 0.00 0.00 60.65 57.91 1q80 h LYS 9 Cb 0.04 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.11 1q80 h LYS 9 CO -0.04 0.76 -0.47 1.15 -2.81 0.00 0.00 179.45 178.03 1q80 h THR 10 N 0.78 0.08 -0.72 1.00 2.02 -0.55 -1.23 112.91 114.29 1q80 h THR 10 Ca 0.17 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.38 1q80 h THR 10 Cb 0.34 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 1q80 h THR 10 CO 0.00 0.00 0.45 0.22 0.37 0.00 0.00 175.52 176.56 1q80 h TYR 11 N -0.75 0.83 0.39 3.16 3.20 -1.28 -1.72 116.97 120.81 1q80 h TYR 11 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1q80 h TYR 11 Cb 0.74 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1q80 h TYR 11 CO -0.38 0.47 -0.21 0.35 -1.64 0.00 0.00 178.16 176.75 1q80 h PHE 12 N 0.86 -0.54 -0.77 -3.82 3.57 -0.96 -0.28 116.94 115.01 1q80 h PHE 12 Ca 0.29 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.85 1q80 h PHE 12 Cb 0.04 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 1q80 h PHE 12 CO -0.04 -0.33 0.50 -0.97 -2.23 0.00 0.00 178.31 175.24 1q80 h ASN 13 N -0.55 0.69 0.06 0.41 -0.00 -1.13 -1.58 115.58 113.48 1q80 h ASN 13 Ca -0.05 0.01 -0.24 0.00 -0.00 0.00 0.00 56.30 56.02 1q80 h ASN 13 Cb 0.44 -0.14 0.02 0.00 -0.00 0.00 0.00 38.32 38.64 1q80 h ASN 13 CO 0.07 0.44 -0.96 0.03 -0.00 0.00 0.00 177.43 177.01 1q80 h ARG 14 N 0.79 0.54 0.00 6.67 3.08 -1.20 -3.34 114.38 120.93 1q80 h ARG 14 Ca 0.34 -0.67 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 1q80 h ARG 14 Cb 0.30 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1q80 h ARG 14 CO -0.12 1.27 -0.29 0.97 -1.07 0.00 0.00 179.97 180.73 1q80 h ILE 15 N 0.12 0.70 -0.73 2.04 6.09 -0.94 -3.39 117.51 121.40 1q80 h ILE 15 Ca -0.14 -1.31 -0.55 0.00 -1.37 0.00 0.00 64.86 61.49 1q80 h ILE 15 Cb 1.66 1.85 -0.07 0.00 0.47 0.00 0.00 36.82 40.73 1q80 h ILE 15 CO 0.19 0.29 1.77 -0.62 -3.07 0.00 0.00 178.15 176.70 1q80 s ASP 16 N -6.30 6.18 0.21 2.19 2.15 -0.60 -4.88 116.67 115.61 1q80 s ASP 16 Ca 0.00 -2.12 -0.10 0.00 0.43 0.00 0.00 52.55 50.77 1q80 s ASP 16 Cb 0.10 -2.58 0.27 0.00 -0.30 0.00 0.00 42.92 40.41 1q80 s ASP 16 CO 0.66 -1.87 1.74 0.15 -0.17 0.00 0.00 175.17 175.68 1q80 h PHE 17 N 8.45 0.38 0.00 -5.34 3.57 -1.85 -2.67 116.94 119.48 1q80 h PHE 17 Ca 0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1q80 h PHE 17 Cb 0.90 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1q80 h PHE 17 CO 1.35 0.09 0.00 0.38 -2.23 0.00 0.00 178.31 177.90 1q80 h ASP 18 N 0.40 0.00 -4.18 0.41 3.04 -1.89 -3.49 116.42 110.70 1q80 h ASP 18 Ca 0.30 0.00 -0.34 0.00 -3.24 0.00 0.00 57.03 53.75 1q80 h ASP 18 Cb 0.38 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 38.74 1q80 h ASP 18 CO -0.31 0.00 -0.53 0.29 -2.04 0.00 0.00 179.24 176.65 1q80 n LYS 19 N -2.60 -4.85 0.07 4.15 5.02 -1.01 -4.97 118.16 113.97 1q80 n LYS 19 Ca 0.05 0.76 0.13 0.00 -2.02 0.00 0.00 58.31 57.22 1q80 n LYS 19 Cb 0.45 -5.36 0.36 0.00 -0.02 0.00 0.00 35.03 30.45 1q80 n LYS 19 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1q80 n ASP 20 N -1.99 0.62 0.00 4.39 -0.08 -1.26 -4.96 116.55 113.26 1q80 n ASP 20 Ca -0.07 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1q80 n ASP 20 Cb 0.59 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.66 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 1.36 0.43 2.95 0.27 0.00 -1.26 -5.10 105.19 103.83 1q80 n GLY 21 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 0.78 -0.20 4.61 0.00 -1.26 -2.82 121.76 120.87 1q80 s ALA 22 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.58 1q80 s ALA 22 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1q80 s ALA 22 CO 0.00 0.06 0.59 0.42 0.00 0.00 0.00 175.76 176.83 1q80 s ILE 23 N 0.59 5.05 0.26 0.00 -1.09 0.45 -4.84 121.20 121.63 1q80 s ILE 23 Ca -0.09 1.10 -0.08 0.00 -2.23 0.00 0.00 60.65 59.35 1q80 s ILE 23 Cb -0.12 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1q80 s ILE 23 CO 0.01 0.14 0.41 0.42 -1.23 0.00 0.00 174.94 174.69 1q80 s THR 24 N 1.78 0.00 0.55 2.92 -4.23 -1.26 -0.46 115.64 114.94 1q80 s THR 24 Ca 0.27 -1.58 0.25 0.00 -1.18 0.00 0.00 61.69 59.45 1q80 s THR 24 Cb -0.16 -2.39 0.35 0.00 1.34 0.00 0.00 72.50 71.65 1q80 s THR 24 CO 0.10 0.00 2.07 -0.09 -0.54 0.00 0.00 174.62 176.16 1q80 h ARG 25 N 2.29 0.00 -0.91 3.99 2.43 -1.95 -2.71 114.38 117.51 1q80 h ARG 25 Ca -0.29 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1q80 h ARG 25 Cb 1.25 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.75 1q80 h ARG 25 CO 0.40 0.00 0.60 0.52 -1.51 0.00 0.00 179.97 179.98 1q80 h MET 26 N 0.00 1.16 -0.39 0.20 2.86 -1.99 -1.49 114.93 115.28 1q80 h MET 26 Ca 0.13 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1q80 h MET 26 Cb 0.58 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1q80 h MET 26 CO -0.00 0.77 0.21 0.38 1.06 0.00 0.00 176.91 179.33 1q80 h ASP 27 N 1.19 0.49 -0.26 1.22 3.04 -1.85 -0.90 116.42 119.35 1q80 h ASP 27 Ca 0.35 -0.09 -0.02 0.00 -3.24 0.00 0.00 57.03 54.03 1q80 h ASP 27 Cb -0.07 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 38.09 1q80 h ASP 27 CO -0.10 0.44 0.09 -0.26 -2.04 0.00 0.00 179.24 177.37 1q80 h PHE 28 N 0.50 0.41 -0.14 4.15 0.04 -1.61 0.16 116.94 120.45 1q80 h PHE 28 Ca 0.14 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 1q80 h PHE 28 Cb 0.06 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1q80 h PHE 28 CO -0.02 0.44 0.08 0.93 -0.60 0.00 0.00 178.31 179.13 1q80 h GLU 29 N 0.26 0.19 -0.70 1.51 5.08 -1.28 -1.47 114.58 118.17 1q80 h GLU 29 Ca 0.08 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1q80 h GLU 29 Cb 0.21 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1q80 h GLU 29 CO -0.00 0.19 0.46 0.77 -1.00 0.00 0.00 179.01 179.43 1q80 h SER 30 N 0.13 0.78 -0.02 1.42 0.02 -1.12 -2.62 113.55 112.14 1q80 h SER 30 Ca 0.05 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1q80 h SER 30 Cb 0.06 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1q80 h SER 30 CO -0.01 0.56 0.01 -0.03 -1.14 0.00 0.00 176.83 176.22 1q80 h MET 31 N 0.92 0.03 0.18 3.45 1.85 -0.58 -0.33 114.93 120.44 1q80 h MET 31 Ca 0.26 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.36 1q80 h MET 31 Cb -0.07 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 1q80 h MET 31 CO -0.07 0.09 -0.19 0.00 -0.40 0.00 0.00 176.91 176.34 1q80 h ALA 32 N 0.94 -0.37 -0.16 0.39 0.00 -1.17 0.83 119.26 119.72 1q80 h ALA 32 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1q80 h ALA 32 Cb 0.07 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1q80 h ALA 32 CO -0.00 -0.74 0.04 1.49 0.00 0.00 0.00 179.25 180.04 1q80 h GLU 33 N -0.41 0.26 -0.52 0.00 4.81 -1.53 -1.64 114.58 115.56 1q80 h GLU 33 Ca 0.01 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1q80 h GLU 33 Cb 0.39 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1q80 h GLU 33 CO -0.06 0.40 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.47 1q80 h ARG 34 N 0.07 0.93 -0.05 1.92 2.43 -1.05 -0.95 114.38 117.67 1q80 h ARG 34 Ca 0.05 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1q80 h ARG 34 Cb 0.25 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1q80 h ARG 34 CO -0.00 0.96 0.03 0.35 -1.51 0.00 0.00 179.97 179.79 1q80 h PHE 35 N 0.84 0.07 0.09 2.20 3.04 -0.83 -2.62 116.94 119.72 1q80 h PHE 35 Ca 0.14 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 1q80 h PHE 35 Cb 0.59 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1q80 h PHE 35 CO 0.04 0.14 -0.04 0.00 -2.02 0.00 0.00 178.31 176.43 1q80 h ALA 36 N 0.92 -0.11 -0.50 2.41 0.00 -1.24 -3.32 119.26 117.41 1q80 h ALA 36 Ca 0.02 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1q80 h ALA 36 Cb 0.10 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.78 1q80 h ALA 36 CO -0.00 -0.56 0.43 1.17 0.00 0.00 0.00 179.25 180.28 1q80 n LYS 37 N -5.14 1.82 0.00 0.00 0.00 -0.37 -4.42 118.16 110.06 1q80 n LYS 37 Ca -0.08 -1.64 0.00 0.00 0.00 0.00 0.00 58.31 56.59 1q80 n LYS 37 Cb 0.08 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.46 1q80 n LYS 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1q80 n GLU 38 N 0.18 3.09 0.00 1.64 4.07 -0.99 -4.59 120.64 124.05 1q80 n GLU 38 Ca 0.32 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 1q80 n GLU 38 Cb 0.66 -0.63 0.00 0.00 -0.06 0.00 0.00 31.44 31.41 1q80 n GLU 38 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1q80 n SER 39 N -0.59 0.00 -3.96 4.31 2.88 -1.26 -5.14 113.62 109.86 1q80 n SER 39 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1q80 n SER 39 Cb 0.05 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.34 1q80 n SER 39 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1q80 s GLU 40 N 2.44 1.63 0.13 -1.46 1.03 -1.26 -5.04 118.70 116.16 1q80 s GLU 40 Ca 0.00 -0.33 -0.12 0.00 0.03 0.00 0.00 54.97 54.55 1q80 s GLU 40 Cb 0.00 -1.53 0.01 0.00 -0.80 0.00 0.00 34.13 31.80 1q80 s GLU 40 CO 0.00 -0.15 0.31 0.00 -1.33 0.00 0.00 175.26 174.09 1q80 s MET 41 N 1.28 1.06 0.40 -4.83 0.23 -1.26 -5.04 119.30 111.14 1q80 s MET 41 Ca -0.03 -0.94 0.08 0.00 -1.03 0.00 0.00 55.69 53.76 1q80 s MET 41 Cb -0.14 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 1q80 s MET 41 CO -0.04 -0.39 0.26 0.15 -2.03 0.00 0.00 175.02 172.97 1q80 s LYS 42 N -3.88 2.38 0.04 3.16 3.01 -1.22 -4.54 119.74 118.69 1q80 s LYS 42 Ca 0.08 -1.67 -0.08 0.00 -1.01 0.00 0.00 55.97 53.29 1q80 s LYS 42 Cb 0.03 -2.17 -0.02 0.00 -1.01 0.00 0.00 37.83 34.66 1q80 s LYS 42 CO -0.07 -0.12 1.14 0.00 0.51 0.00 0.00 175.35 176.81 1q80 h ALA 43 N 1.27 -0.16 -1.36 5.17 0.00 -2.03 -1.52 119.26 120.64 1q80 h ALA 43 Ca -0.42 0.03 0.39 0.00 0.00 0.00 0.00 54.91 54.91 1q80 h ALA 43 Cb 1.26 1.08 -0.05 0.00 0.00 0.00 0.00 17.79 20.07 1q80 h ALA 43 CO 0.64 -0.27 1.30 -1.91 0.00 0.00 0.00 179.25 179.00 1q80 n GLU 44 N -3.58 0.01 -0.30 0.00 4.07 -1.26 -4.91 120.64 114.67 1q80 n GLU 44 Ca 0.00 1.04 -0.04 0.00 -0.06 0.00 0.00 57.16 58.10 1q80 n GLU 44 Cb 0.07 -2.53 0.07 0.00 -0.06 0.00 0.00 31.44 29.00 1q80 n GLU 44 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1q80 h HIS 45 N 0.00 1.07 -0.89 4.31 3.86 -1.62 -3.27 115.15 118.61 1q80 h HIS 45 Ca 0.65 -0.00 0.20 0.00 -1.16 0.00 0.00 60.37 60.05 1q80 h HIS 45 Cb 3.23 -0.35 -0.12 0.00 1.06 0.00 0.00 27.41 31.23 1q80 h HIS 45 CO 0.00 0.71 0.42 0.00 0.86 0.00 0.00 177.93 179.93 1q80 h ALA 46 N 1.27 1.42 -0.33 2.45 0.00 -1.91 -0.86 119.26 121.29 1q80 h ALA 46 Ca 0.29 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 1q80 h ALA 46 Cb -0.05 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1q80 h ALA 46 CO -0.06 -0.26 -0.05 0.87 0.00 0.00 0.00 179.25 179.75 1q80 h LYS 47 N 0.48 0.62 -0.02 0.00 1.57 -1.97 -2.60 116.57 114.65 1q80 h LYS 47 Ca 0.54 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1q80 h LYS 47 Cb 0.96 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1q80 h LYS 47 CO -0.48 0.77 -0.23 0.28 -0.57 0.00 0.00 179.45 179.23 1q80 h VAL 48 N 0.41 0.47 -0.41 0.50 2.07 -1.27 0.15 116.25 118.16 1q80 h VAL 48 Ca 0.09 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 1q80 h VAL 48 Cb 0.53 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1q80 h VAL 48 CO 0.03 0.00 -0.12 0.17 0.02 0.00 0.00 177.57 177.67 1q80 h LEU 49 N -0.35 0.82 -0.38 2.57 -0.00 -1.41 -1.49 115.31 115.07 1q80 h LEU 49 Ca 0.07 -0.37 0.03 0.00 -0.00 0.00 0.00 57.88 57.60 1q80 h LEU 49 Cb 0.44 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 1q80 h LEU 49 CO -0.22 1.00 0.19 -0.03 -0.00 0.00 0.00 178.44 179.38 1q80 h MET 50 N 0.62 0.37 0.03 0.17 4.05 -1.28 0.21 114.93 119.10 1q80 h MET 50 Ca 0.10 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1q80 h MET 50 Cb 0.65 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 1q80 h MET 50 CO 0.04 0.25 -0.05 0.22 0.23 0.00 0.00 176.91 177.60 1q80 h ASP 51 N 0.38 -0.15 0.67 1.39 3.58 -0.73 -1.65 116.42 119.91 1q80 h ASP 51 Ca 0.16 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1q80 h ASP 51 Cb 0.07 0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.19 1q80 h ASP 51 CO -0.11 -0.08 -0.32 0.28 -2.88 0.00 0.00 179.24 176.12 1q80 h SER 52 N -0.11 -0.76 -0.67 2.28 0.02 -1.14 -1.14 113.55 112.02 1q80 h SER 52 Ca 0.01 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1q80 h SER 52 Cb 0.12 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1q80 h SER 52 CO -0.04 -0.46 0.43 -0.07 -1.14 0.00 0.00 176.83 175.56 1q80 h LEU 53 N -1.05 0.72 -0.60 5.07 3.38 -0.66 -1.26 115.31 120.90 1q80 h LEU 53 Ca -0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1q80 h LEU 53 Cb 0.73 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1q80 h LEU 53 CO 0.15 0.51 0.20 0.71 0.09 0.00 0.00 178.44 180.10 1q80 h THR 54 N 0.86 1.24 -0.98 0.22 1.35 -1.37 -3.10 112.91 111.13 1q80 h THR 54 Ca 0.26 -0.81 0.06 0.00 -0.55 0.00 0.00 66.41 65.37 1q80 h THR 54 Cb -0.03 0.63 -0.06 0.00 -1.73 0.00 0.00 68.15 66.95 1q80 h THR 54 CO -0.09 0.31 0.64 1.23 -0.25 0.00 0.00 175.52 177.36 1q80 h GLY 55 N 0.86 1.47 0.14 5.82 0.00 -0.53 -0.39 103.07 110.44 1q80 h GLY 55 Ca 0.20 -0.46 0.11 0.00 0.00 0.00 0.00 47.33 47.17 1q80 h GLY 55 CO -0.01 0.34 0.04 -2.08 0.00 0.00 0.00 176.54 174.83 1q80 h VAL 56 N 1.15 0.60 0.00 4.60 2.07 -1.17 -1.01 116.25 122.49 1q80 h VAL 56 Ca 0.42 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1q80 h VAL 56 Cb 0.16 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1q80 h VAL 56 CO -0.16 0.03 -0.01 -0.25 0.02 0.00 0.00 177.57 177.20 1q80 h TRP 57 N 0.16 0.00 -0.69 1.57 2.91 -1.57 -3.23 115.95 115.11 1q80 h TRP 57 Ca 0.28 0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.44 1q80 h TRP 57 Cb 0.43 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 1q80 h TRP 57 CO -0.30 0.00 0.46 -0.44 -1.03 0.00 0.00 178.44 177.13 1q80 h ASP 58 N -0.99 0.31 0.07 2.65 5.19 -1.08 -2.67 116.42 119.91 1q80 h ASP 58 Ca 0.00 0.02 -0.36 0.00 -0.62 0.00 0.00 57.03 56.06 1q80 h ASP 58 Cb 0.01 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.40 1q80 h ASP 58 CO 0.00 0.16 -2.30 0.59 -3.12 0.00 0.00 179.24 174.57 1q80 n ASN 59 N -4.46 0.41 0.00 6.45 3.02 -0.39 -4.86 115.26 115.43 1q80 n ASN 59 Ca 0.13 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1q80 n ASN 59 Cb 0.52 0.64 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 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 -2.87 0.00 0.00 3.10 3.72 -1.18 -4.92 117.46 115.31 1q80 n PHE 60 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1q80 n PHE 60 Cb 1.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.66 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 0.00 0.00 -0.33 4.37 7.94 -1.22 -3.85 117.00 123.90 1q80 n LEU 61 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.06 1q80 n LEU 61 Cb 0.00 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.34 1q80 n LEU 61 CO 0.00 0.00 1.19 0.74 -1.11 0.00 0.00 177.39 178.21 1q80 h THR 62 N 0.00 0.63 0.00 1.96 2.02 -1.75 -2.73 112.91 113.03 1q80 h THR 62 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1q80 h THR 62 Cb 0.00 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1q80 h THR 62 CO 0.00 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.00 1q80 n ALA 63 N -2.37 1.53 0.07 6.16 0.00 -1.26 -1.54 120.51 123.09 1q80 n ALA 63 Ca 0.24 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1q80 n ALA 63 Cb 0.68 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 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 0.93 -0.47 0.00 2.07 -1.87 -3.36 116.25 113.55 1q80 h VAL 64 Ca 0.00 -0.99 -0.31 0.00 0.82 0.00 0.00 66.70 66.23 1q80 h VAL 64 Cb 0.18 1.48 -0.20 0.00 -1.52 0.00 0.00 31.29 31.23 1q80 h VAL 64 CO 0.00 0.21 -0.30 0.00 0.02 0.00 0.00 177.57 177.50 1q80 n ALA 65 N -2.49 4.61 -3.65 1.67 0.00 -1.25 -5.02 120.51 114.39 1q80 n ALA 65 Ca -0.08 -3.42 -0.29 0.00 0.00 0.00 0.00 53.44 49.65 1q80 n ALA 65 Cb 0.26 -0.63 0.04 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.98 -0.92 3.13 0.00 0.00 -1.19 -3.03 105.19 102.20 1q80 n GLY 66 Ca 0.37 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -1.64 2.99 3.92 -0.02 0.00 -0.59 -5.04 105.19 104.81 1q80 n GLY 67 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.17 3.26 1.28 1.61 -0.14 -1.17 -4.93 119.74 119.48 1q80 s LYS 68 Ca 0.00 -0.09 -0.19 0.00 -1.36 0.00 0.00 55.97 54.33 1q80 s LYS 68 Cb 0.00 -2.43 0.30 0.00 -1.68 0.00 0.00 37.83 34.02 1q80 s LYS 68 CO 0.00 -0.30 0.67 0.41 -0.76 0.00 0.00 175.35 175.37 1q80 n GLY 69 N -2.24 -3.25 2.71 -3.33 0.00 -1.26 -4.52 105.19 93.29 1q80 n GLY 69 Ca 0.01 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 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 0.18 0.98 -0.61 -1.09 0.39 -4.79 121.20 114.15 1q80 s ILE 70 Ca 0.55 0.04 -0.16 0.00 -2.23 0.00 0.00 60.65 58.85 1q80 s ILE 70 Cb -0.11 -0.52 0.22 0.00 -1.58 0.00 0.00 42.46 40.48 1q80 s ILE 70 CO 0.48 0.06 1.34 1.51 -1.23 0.00 0.00 174.94 177.09 1q80 s ASP 71 N 2.04 2.87 0.26 3.58 -4.77 -1.26 -0.41 116.67 118.97 1q80 s ASP 71 Ca 0.03 0.10 -0.05 0.00 -3.30 0.00 0.00 52.55 49.33 1q80 s ASP 71 Cb -0.14 -0.05 0.29 0.00 -1.09 0.00 0.00 42.92 41.93 1q80 s ASP 71 CO -0.06 -2.87 1.92 -0.08 0.70 0.00 0.00 175.17 174.78 1q80 h GLU 72 N -1.71 1.26 0.02 2.11 4.81 -1.96 -1.47 114.58 117.65 1q80 h GLU 72 Ca -0.43 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1q80 h GLU 72 Cb 1.21 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1q80 h GLU 72 CO 0.31 0.86 -0.15 1.15 -0.73 0.00 0.00 179.01 180.45 1q80 h THR 73 N 1.29 0.65 -0.50 0.32 2.02 -1.94 0.28 112.91 115.03 1q80 h THR 73 Ca 0.34 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 1q80 h THR 73 Cb -0.11 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1q80 h THR 73 CO -0.07 0.00 0.20 0.71 0.37 0.00 0.00 175.52 176.73 1q80 h THR 74 N -0.26 1.21 -0.07 3.16 1.35 -1.91 0.18 112.91 116.58 1q80 h THR 74 Ca 0.04 -0.66 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 1q80 h THR 74 Cb 0.31 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1q80 h THR 74 CO -0.13 0.25 0.02 0.15 -0.25 0.00 0.00 175.52 175.56 1q80 h PHE 75 N 0.66 0.12 -0.01 4.73 3.57 -1.17 -0.98 116.94 123.85 1q80 h PHE 75 Ca 0.17 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1q80 h PHE 75 Cb 0.20 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1q80 h PHE 75 CO 0.00 0.30 0.00 0.82 -2.23 0.00 0.00 178.31 177.21 1q80 h ILE 76 N -0.10 1.19 -0.43 1.41 1.08 -0.90 -0.67 117.51 119.09 1q80 h ILE 76 Ca 0.02 -0.56 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 1q80 h ILE 76 Cb 0.24 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1q80 h ILE 76 CO 0.00 0.15 0.23 0.78 -0.69 0.00 0.00 178.15 178.62 1q80 h ASN 77 N -0.21 0.54 0.06 1.72 2.35 -0.71 -0.65 115.58 118.68 1q80 h ASN 77 Ca 0.00 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1q80 h ASN 77 Cb 0.24 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1q80 h ASN 77 CO 0.00 0.48 -0.03 -1.28 -1.65 0.00 0.00 177.43 174.95 1q80 h SER 78 N 0.56 -0.07 0.38 5.81 0.87 -1.22 -3.15 113.55 116.72 1q80 h SER 78 Ca 0.15 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1q80 h SER 78 Cb 0.07 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1q80 h SER 78 CO -0.02 0.31 -0.18 0.24 -0.53 0.00 0.00 176.83 176.65 1q80 h MET 79 N -0.46 -0.49 -1.00 2.24 2.86 -1.16 -2.62 114.93 114.30 1q80 h MET 79 Ca -0.01 0.03 0.22 0.00 -2.06 0.00 0.00 59.70 57.89 1q80 h MET 79 Cb 0.41 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.08 1q80 h MET 79 CO 0.01 -0.28 0.62 -0.22 1.06 0.00 0.00 176.91 178.11 1q80 h LYS 80 N -1.11 0.56 0.00 1.72 3.64 -1.30 -1.49 116.57 118.59 1q80 h LYS 80 Ca -0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1q80 h LYS 80 Cb 0.43 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1q80 h LYS 80 CO 0.08 0.37 -0.00 0.93 -2.27 0.00 0.00 179.45 178.56 1q80 h GLU 81 N 0.57 -0.00 0.00 1.90 4.39 -1.70 -3.38 114.58 116.36 1q80 h GLU 81 Ca 0.58 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.27 1q80 h GLU 81 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1q80 h GLU 81 CO -0.34 0.80 -0.02 0.52 -1.16 0.00 0.00 179.01 178.81 1q80 h MET 82 N -1.00 0.00 0.00 2.33 2.86 -1.21 -2.74 114.93 115.17 1q80 h MET 82 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1q80 h MET 82 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1q80 h MET 82 CO 0.00 0.02 0.00 -0.24 1.06 0.00 0.00 176.91 177.75 1q80 h VAL 83 N 0.00 0.00 -0.25 -2.22 3.04 -1.46 -3.01 116.25 112.36 1q80 h VAL 83 Ca -0.00 -0.48 -0.08 0.00 -1.01 0.00 0.00 66.70 65.13 1q80 h VAL 83 Cb 0.06 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1q80 h VAL 83 CO 0.00 0.00 -0.21 0.11 -1.01 0.00 0.00 177.57 176.47 1q80 h LYS 84 N 0.00 0.44 -5.65 4.17 1.57 -1.70 -3.40 116.57 112.00 1q80 h LYS 84 Ca 0.00 -0.15 -0.63 0.00 -1.87 0.00 0.00 60.65 58.00 1q80 h LYS 84 Cb 0.49 -0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.63 1q80 h LYS 84 CO 0.00 0.63 0.27 1.21 -0.57 0.00 0.00 179.45 180.99 1q80 s ASN 85 N -6.81 6.41 0.66 0.86 3.84 -1.14 -4.98 114.94 113.79 1q80 s ASN 85 Ca -0.07 -0.06 0.40 0.00 0.21 0.00 0.00 52.86 53.34 1q80 s ASN 85 Cb 0.14 -2.36 2.15 0.00 -0.55 0.00 0.00 41.25 40.63 1q80 s ASN 85 CO 0.78 -0.81 2.21 1.55 -2.79 0.00 0.00 177.10 178.04 1q80 h PRO 86 N 8.81 0.00 0.00 0.43 0.13 -1.83 -3.07 132.00 136.47 1q80 h PRO 86 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 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 0.92 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.52 1q80 h GLU 87 N 0.00 0.00 0.00 0.86 3.07 -1.94 -3.24 114.58 113.33 1q80 h GLU 87 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1q80 h GLU 87 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1q80 h GLU 87 CO 0.00 0.10 0.00 0.00 -1.40 0.00 0.00 179.01 177.71 1q80 n ALA 88 N -2.29 2.46 -0.35 3.43 0.00 -1.16 -4.56 120.51 118.04 1q80 n ALA 88 Ca -0.02 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1q80 n ALA 88 Cb 0.21 -1.20 0.22 0.00 0.00 0.00 0.00 19.45 18.68 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 0.00 -0.85 0.00 1.79 -1.83 -2.74 116.57 112.94 1q80 h LYS 89 Ca 0.00 -0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1q80 h LYS 89 Cb 0.00 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1q80 h LYS 89 CO 0.00 0.00 0.55 0.77 -1.08 0.00 0.00 179.45 179.69 1q80 h SER 90 N 0.00 0.65 0.74 0.86 0.02 -1.91 0.87 113.55 114.77 1q80 h SER 90 Ca 0.55 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.47 1q80 h SER 90 Cb 1.01 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1q80 h SER 90 CO -0.98 0.35 -0.27 -0.37 -1.14 0.00 0.00 176.83 174.42 1q80 h VAL 91 N 0.70 0.72 0.06 2.27 -1.51 -1.87 -1.36 116.25 115.26 1q80 h VAL 91 Ca 0.42 -1.15 -0.30 0.00 -1.23 0.00 0.00 66.70 64.43 1q80 h VAL 91 Cb 0.62 1.73 -0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1q80 h VAL 91 CO -0.18 0.26 -1.64 0.55 -1.23 0.00 0.00 177.57 175.33 1q80 n VAL 92 N -3.54 1.65 -0.00 7.19 3.14 -0.67 -4.74 118.33 121.36 1q80 n VAL 92 Ca -0.01 -0.33 -0.16 0.00 -2.96 0.00 0.00 64.34 60.88 1q80 n VAL 92 Cb 0.42 -1.89 -0.14 0.00 -1.06 0.00 0.00 33.84 31.16 1q80 n VAL 92 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1q80 n GLU 93 N -3.98 0.71 -0.37 1.45 2.13 0.21 -4.72 120.64 116.07 1q80 n GLU 93 Ca -0.33 0.28 0.03 0.00 0.66 0.00 0.00 57.16 57.80 1q80 n GLU 93 Cb 0.86 -1.75 0.09 0.00 0.27 0.00 0.00 31.44 30.92 1q80 n GLU 93 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1q80 n GLY 94 N 1.82 -1.85 0.34 8.31 0.00 -0.51 -1.88 105.19 111.41 1q80 n GLY 94 Ca -0.26 1.09 0.18 0.00 0.00 0.00 0.00 46.02 47.03 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 -0.71 1.61 0.11 -1.84 -3.39 132.00 127.78 1q80 h PRO 95 Ca 0.41 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.59 1q80 h PRO 95 Cb 0.66 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.67 1q80 h PRO 95 CO -1.00 0.00 -0.57 -0.07 -0.21 0.00 0.00 178.00 176.14 1q80 h LEU 96 N 0.00 -2.02 -1.34 2.35 3.38 -1.71 -1.09 115.31 114.87 1q80 h LEU 96 Ca 0.00 0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1q80 h LEU 96 Cb 0.46 0.86 -0.05 0.00 0.09 0.00 0.00 40.66 42.02 1q80 h LEU 96 CO 0.00 -0.31 0.51 -0.65 0.09 0.00 0.00 178.44 178.08 1q80 h PRO 97 N -0.19 0.73 0.22 1.13 0.11 -1.87 -2.00 132.00 130.14 1q80 h PRO 97 Ca 0.12 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1q80 h PRO 97 Cb 0.50 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1q80 h PRO 97 CO -0.77 0.49 -0.10 1.25 -0.21 0.00 0.00 178.00 178.65 1q80 h LEU 98 N 0.76 -0.25 -0.68 2.35 6.46 -1.76 -2.22 115.31 119.97 1q80 h LEU 98 Ca 0.35 -0.09 0.09 0.00 -0.12 0.00 0.00 57.88 58.12 1q80 h LEU 98 Cb 0.37 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.29 1q80 h LEU 98 CO -0.13 -0.07 0.32 -0.26 -0.62 0.00 0.00 178.44 177.69 1q80 h PHE 99 N -0.42 0.57 -0.14 1.25 0.04 -0.80 -0.15 116.94 117.29 1q80 h PHE 99 Ca -0.03 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1q80 h PHE 99 Cb 0.32 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 1q80 h PHE 99 CO -0.03 0.19 -0.10 0.35 -0.60 0.00 0.00 178.31 178.13 1q80 h PHE 100 N 0.55 -0.24 -0.38 -0.55 3.57 -1.32 -1.82 116.94 116.74 1q80 h PHE 100 Ca 0.34 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.80 1q80 h PHE 100 Cb 0.37 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1q80 h PHE 100 CO -0.12 -0.15 -0.01 -0.09 -2.23 0.00 0.00 178.31 175.70 1q80 h ARG 101 N -0.11 0.61 -0.62 1.11 9.65 -1.01 -2.40 114.38 121.61 1q80 h ARG 101 Ca 0.09 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1q80 h ARG 101 Cb 0.23 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 1q80 h ARG 101 CO -0.20 0.64 0.30 0.00 2.80 0.00 0.00 179.97 183.51 1q80 h ALA 102 N 1.41 0.80 0.00 2.80 0.00 -0.78 -3.07 119.26 120.43 1q80 h ALA 102 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q80 h ALA 102 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1q80 h ALA 102 CO 0.02 0.36 0.00 0.28 0.00 0.00 0.00 179.25 179.90 1q80 h VAL 103 N 0.85 0.00 0.00 0.00 2.07 -1.24 -3.41 116.25 114.52 1q80 h VAL 103 Ca 0.21 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1q80 h VAL 103 Cb 0.11 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1q80 h VAL 103 CO -0.03 0.00 0.49 -0.67 0.02 0.00 0.00 177.57 177.38 1q80 n ASP 104 N -3.09 1.47 0.00 0.57 2.03 -0.91 -4.74 116.55 111.88 1q80 n ASP 104 Ca 0.03 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.53 1q80 n ASP 104 Cb 0.45 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 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 3.13 1.54 0.28 5.18 5.66 -1.26 -1.99 114.28 126.82 1q80 n THR 105 Ca 0.12 0.49 0.09 0.00 -3.05 0.00 0.00 64.05 61.70 1q80 n THR 105 Cb 0.21 -1.49 -0.13 0.00 -1.55 0.00 0.00 70.33 67.37 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 -1.38 0.87 -1.29 1.09 0.23 -1.26 -3.44 115.26 110.08 1q80 n ASN 106 Ca 0.00 -0.32 -0.02 0.00 -0.53 0.00 0.00 54.58 53.71 1q80 n ASN 106 Cb 0.11 1.53 0.01 0.00 -2.08 0.00 0.00 39.78 39.35 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 -1.87 -0.79 0.00 -3.83 4.07 -0.84 -4.97 120.64 112.40 1q80 n GLU 107 Ca -0.01 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1q80 n GLU 107 Cb 0.40 -2.90 0.00 0.00 -0.06 0.00 0.00 31.44 28.88 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 -1.24 3.74 0.00 4.31 -0.08 -1.26 -5.05 116.55 116.97 1q80 n ASP 108 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1q80 n ASP 108 Cb 0.52 0.55 0.00 0.00 2.34 0.00 0.00 41.12 44.53 1q80 n ASP 108 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1q80 n ASN 109 N -1.39 -2.05 -3.84 1.67 3.02 -1.26 -5.09 115.26 106.32 1q80 n ASN 109 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1q80 n ASN 109 Cb 0.20 -0.34 -0.15 0.00 -0.61 0.00 0.00 39.78 38.88 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 -2.66 0.14 -0.21 6.41 0.01 -1.26 -4.23 114.94 113.13 1q80 s ASN 110 Ca 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 52.86 52.05 1q80 s ASN 110 Cb 0.00 -0.06 -0.05 0.00 0.41 0.00 0.00 41.25 41.55 1q80 s ASN 110 CO 0.00 -0.05 0.14 -0.63 -1.51 0.00 0.00 177.10 175.05 1q80 s ILE 111 N 0.51 5.39 0.55 0.60 1.01 -0.65 -4.82 121.20 123.80 1q80 s ILE 111 Ca -0.04 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 1q80 s ILE 111 Cb -0.07 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1q80 s ILE 111 CO -0.01 0.41 0.84 -0.94 0.00 0.00 0.00 174.94 175.23 1q80 s SER 112 N 0.58 5.66 0.35 3.58 1.04 -1.26 -0.46 113.70 123.19 1q80 s SER 112 Ca 0.08 0.59 0.02 0.00 0.48 0.00 0.00 55.95 57.12 1q80 s SER 112 Cb -0.12 -1.65 0.62 0.00 0.10 0.00 0.00 66.02 64.97 1q80 s SER 112 CO 0.00 -0.96 2.00 0.08 0.98 0.00 0.00 173.24 175.34 1q80 h ARG 113 N -0.02 0.85 -0.19 4.02 -0.00 -1.93 -1.41 114.38 115.71 1q80 h ARG 113 Ca -0.46 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.98 59.46 1q80 h ARG 113 Cb 1.25 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.97 31.02 1q80 h ARG 113 CO 0.60 0.57 0.05 -0.44 -0.00 0.00 0.00 179.97 180.74 1q80 h ASP 114 N 0.88 0.29 -0.57 0.08 3.32 -1.95 -1.37 116.42 117.10 1q80 h ASP 114 Ca 0.25 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1q80 h ASP 114 Cb -0.06 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1q80 h ASP 114 CO -0.06 0.44 0.25 -0.33 -1.72 0.00 0.00 179.24 177.82 1q80 h GLU 115 N 0.12 0.83 -0.86 3.56 5.08 -1.88 -2.20 114.58 119.23 1q80 h GLU 115 Ca 0.06 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1q80 h GLU 115 Cb 0.26 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1q80 h GLU 115 CO 0.00 0.70 0.54 -0.92 -1.00 0.00 0.00 179.01 178.32 1q80 h TYR 116 N 0.77 1.11 -0.26 4.33 3.20 -1.24 -0.91 116.97 123.97 1q80 h TYR 116 Ca 0.19 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1q80 h TYR 116 Cb 0.16 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1q80 h TYR 116 CO 0.00 0.73 0.11 0.78 -1.64 0.00 0.00 178.16 178.14 1q80 h GLY 117 N 1.19 0.42 1.04 1.82 0.00 -0.98 -0.95 103.07 105.61 1q80 h GLY 117 Ca 0.31 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1q80 h GLY 117 CO -0.06 0.21 0.17 -2.22 0.00 0.00 0.00 176.54 174.64 1q80 h ILE 118 N 0.28 1.26 -0.27 2.60 5.03 -1.29 -1.48 117.51 123.64 1q80 h ILE 118 Ca 0.09 -0.93 0.03 0.00 -0.12 0.00 0.00 64.86 63.93 1q80 h ILE 118 Cb 0.17 0.60 -0.03 0.00 -3.03 0.00 0.00 36.82 34.52 1q80 h ILE 118 CO -0.01 0.36 0.07 0.15 -0.68 0.00 0.00 178.15 178.04 1q80 h PHE 119 N 0.98 0.12 -0.06 1.37 3.57 -1.08 -0.13 116.94 121.72 1q80 h PHE 119 Ca 0.21 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1q80 h PHE 119 Cb 0.35 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1q80 h PHE 119 CO 0.03 0.05 -0.04 0.74 -2.23 0.00 0.00 178.31 176.85 1q80 h PHE 120 N 0.18 -0.10 -0.87 0.41 -1.00 -1.02 -2.32 116.94 112.22 1q80 h PHE 120 Ca 0.12 0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.98 1q80 h PHE 120 Cb 0.11 0.05 -0.06 0.00 3.61 0.00 0.00 35.95 39.65 1q80 h PHE 120 CO -0.15 -0.07 0.53 0.78 -1.61 0.00 0.00 178.31 177.80 1q80 h GLY 121 N -0.05 1.32 0.92 -1.45 0.00 -1.07 -0.76 103.07 101.98 1q80 h GLY 121 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1q80 h GLY 121 CO -0.09 0.24 0.11 1.98 0.00 0.00 0.00 176.54 178.78 1q80 h MET 122 N 0.95 0.51 0.00 4.80 -1.53 -0.88 -2.53 114.93 116.26 1q80 h MET 122 Ca 0.39 -0.10 0.00 0.00 -3.44 0.00 0.00 59.70 56.54 1q80 h MET 122 Cb 0.22 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.19 1q80 h MET 122 CO -0.19 0.53 0.00 1.28 0.14 0.00 0.00 176.91 178.67 1q80 n LEU 123 N -4.68 0.11 -0.88 3.39 4.77 -0.89 -4.92 117.00 113.90 1q80 n LEU 123 Ca -0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1q80 n LEU 123 Cb 0.16 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1q80 n LEU 123 CO 0.37 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1q80 n GLY 124 N -0.21 0.52 3.85 -0.72 0.00 -0.95 -4.95 105.19 102.73 1q80 n GLY 124 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.77 2.52 -0.91 0.99 1.02 -0.31 -5.03 118.68 115.19 1q80 s LEU 125 Ca 0.00 -1.42 -0.24 0.00 0.02 0.00 0.00 54.13 52.48 1q80 s LEU 125 Cb 0.00 -0.99 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 1q80 s LEU 125 CO 0.00 -1.01 1.91 -1.81 0.02 0.00 0.00 176.35 175.46 1q80 s ASP 126 N -4.12 5.24 0.26 2.29 1.11 -1.26 -4.56 116.67 115.63 1q80 s ASP 126 Ca 0.22 -0.74 -0.02 0.00 0.18 0.00 0.00 52.55 52.19 1q80 s ASP 126 Cb -0.01 -2.56 0.55 0.00 1.07 0.00 0.00 42.92 41.98 1q80 s ASP 126 CO 0.13 -2.66 1.70 0.11 1.18 0.00 0.00 175.17 175.63 1q80 h LYS 127 N 11.16 0.34 0.00 8.23 1.57 -1.91 -1.15 116.57 134.80 1q80 h LYS 127 Ca 0.11 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1q80 h LYS 127 Cb 1.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1q80 h LYS 127 CO 1.23 0.22 -0.01 1.79 -0.57 0.00 0.00 179.45 182.11 1q80 h THR 128 N 0.35 0.17 0.00 -0.16 1.35 -1.98 -2.57 112.91 110.07 1q80 h THR 128 Ca 0.47 -0.10 -0.07 0.00 -0.55 0.00 0.00 66.41 66.16 1q80 h THR 128 Cb 0.81 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1q80 h THR 128 CO -0.50 0.01 -0.31 -0.03 -0.25 0.00 0.00 175.52 174.44 1q80 h MET 129 N 0.00 0.00 -0.64 4.72 1.85 -1.62 -3.39 114.93 115.85 1q80 h MET 129 Ca -0.00 0.00 0.13 0.00 -0.61 0.00 0.00 59.70 59.22 1q80 h MET 129 Cb 0.08 0.00 -0.12 0.00 0.43 0.00 0.00 31.60 31.99 1q80 h MET 129 CO 0.00 0.31 -0.19 0.00 -0.40 0.00 0.00 176.91 176.63 1q80 h ALA 130 N 1.69 0.35 -0.87 0.39 0.00 -1.54 -2.09 119.26 117.19 1q80 h ALA 130 Ca -0.00 0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1q80 h ALA 130 Cb 1.04 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 1q80 h ALA 130 CO 0.04 -0.46 0.51 -1.35 0.00 0.00 0.00 179.25 177.99 1q80 h PRO 131 N -0.03 0.84 -0.02 0.00 0.11 -1.82 -1.10 132.00 129.97 1q80 h PRO 131 Ca 0.30 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1q80 h PRO 131 Cb 0.49 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1q80 h PRO 131 CO -0.67 0.55 0.01 0.00 -0.21 0.00 0.00 178.00 177.68 1q80 h ALA 132 N 1.46 0.03 -0.29 -0.75 0.00 -1.66 -0.78 119.26 117.27 1q80 h ALA 132 Ca 0.41 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1q80 h ALA 132 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1q80 h ALA 132 CO -0.24 -0.40 -0.20 1.03 0.00 0.00 0.00 179.25 179.44 1q80 h SER 133 N -0.12 0.53 -0.27 0.00 0.87 -1.36 -3.21 113.55 110.00 1q80 h SER 133 Ca 0.01 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1q80 h SER 133 Cb 0.15 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1q80 h SER 133 CO -0.00 0.74 0.07 0.15 -0.53 0.00 0.00 176.83 177.26 1q80 h PHE 134 N 0.48 0.45 -0.94 2.24 3.04 -1.16 -3.26 116.94 117.78 1q80 h PHE 134 Ca 0.08 -0.05 0.17 0.00 3.98 0.00 0.00 57.97 62.14 1q80 h PHE 134 Cb 0.62 -0.13 -0.10 0.00 2.56 0.00 0.00 35.95 38.90 1q80 h PHE 134 CO 0.02 0.50 0.53 0.22 -2.02 0.00 0.00 178.31 177.57 1q80 h ASP 135 N 0.26 0.68 -0.15 0.41 3.58 -1.14 -0.68 116.42 119.38 1q80 h ASP 135 Ca 0.08 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1q80 h ASP 135 Cb 0.28 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1q80 h ASP 135 CO 0.00 0.26 0.02 0.00 -2.88 0.00 0.00 179.24 176.64 1q80 h ALA 136 N 1.60 1.59 0.11 -0.78 0.00 -1.60 -3.29 119.26 116.90 1q80 h ALA 136 Ca 0.53 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.95 1q80 h ALA 136 Cb 0.77 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1q80 h ALA 136 CO -0.37 0.31 -1.96 -0.89 0.00 0.00 0.00 179.25 176.34 1q80 n ILE 137 N -4.36 1.77 -1.10 0.00 5.41 -0.84 -4.73 119.36 115.50 1q80 n ILE 137 Ca 0.00 -0.68 -0.40 0.00 1.00 0.00 0.00 62.75 62.68 1q80 n ILE 137 Cb 0.19 -1.66 -0.05 0.00 -0.71 0.00 0.00 39.64 37.41 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 -3.44 2.83 0.00 4.38 2.03 -0.32 -4.78 116.55 117.26 1q80 n ASP 138 Ca -0.30 -2.63 0.07 0.00 0.52 0.00 0.00 54.79 52.44 1q80 n ASP 138 Cb 1.05 -1.12 0.29 0.00 -0.72 0.00 0.00 41.12 40.62 1q80 n ASP 138 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1q80 n THR 139 N 5.75 1.06 0.09 5.18 -2.24 -1.26 -3.04 114.28 119.81 1q80 n THR 139 Ca 0.49 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.65 1q80 n THR 139 Cb 0.37 -1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 67.54 1q80 n THR 139 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1q80 n ASN 140 N -1.49 0.73 0.00 3.42 2.85 -1.26 -5.03 115.26 114.47 1q80 n ASN 140 Ca 0.03 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 1q80 n ASN 140 Cb 0.16 0.67 0.00 0.00 1.24 0.00 0.00 39.78 41.84 1q80 n ASN 140 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1q80 n ASN 141 N -2.62 -3.64 -0.30 1.20 5.15 -1.17 -4.95 115.26 108.93 1q80 n ASN 141 Ca -0.01 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.11 1q80 n ASN 141 Cb 0.55 -1.15 0.44 0.00 -0.53 0.00 0.00 39.78 39.09 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1q80 n ASP 142 N -0.22 1.12 0.00 1.20 8.00 -1.26 -4.97 116.55 120.43 1q80 n ASP 142 Ca 0.00 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1q80 n ASP 142 Cb 0.11 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.29 0.60 3.26 0.44 0.00 -1.26 -5.06 105.19 104.47 1q80 n GLY 143 Ca 0.14 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 2.37 -0.30 0.99 2.01 -1.26 -2.70 118.68 119.80 1q80 s LEU 144 Ca 0.00 -0.77 -0.07 0.00 0.01 0.00 0.00 54.13 53.30 1q80 s LEU 144 Cb 0.00 -0.68 0.01 0.00 0.01 0.00 0.00 46.19 45.54 1q80 s LEU 144 CO 0.00 -0.07 0.08 -0.76 1.01 0.00 0.00 176.35 176.61 1q80 s LEU 145 N -2.30 3.87 0.61 1.79 1.43 0.39 -4.66 118.68 119.82 1q80 s LEU 145 Ca 0.09 -0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 1q80 s LEU 145 Cb -0.07 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1q80 s LEU 145 CO 0.04 -0.20 0.94 -0.94 0.23 0.00 0.00 176.35 176.42 1q80 s SER 146 N 1.49 5.67 0.13 2.29 1.04 -1.26 -1.64 113.70 121.42 1q80 s SER 146 Ca 0.02 0.88 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 1q80 s SER 146 Cb -0.17 -1.86 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 1q80 s SER 146 CO 0.02 -1.07 1.76 0.25 0.98 0.00 0.00 173.24 175.18 1q80 h LEU 147 N -0.26 0.12 -0.44 2.42 5.85 -2.00 -2.04 115.31 118.96 1q80 h LEU 147 Ca -0.45 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1q80 h LEU 147 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1q80 h LEU 147 CO 0.62 0.10 0.29 1.05 -0.34 0.00 0.00 178.44 180.16 1q80 h GLU 148 N 0.22 0.58 -0.36 1.25 9.09 -1.97 -0.80 114.58 122.59 1q80 h GLU 148 Ca 0.11 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 59.44 1q80 h GLU 148 Cb 0.06 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.02 1q80 h GLU 148 CO -0.10 0.38 0.07 0.93 0.05 0.00 0.00 179.01 180.35 1q80 h GLU 149 N 0.59 0.58 -0.05 1.06 4.39 -1.90 -1.50 114.58 117.75 1q80 h GLU 149 Ca 0.16 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1q80 h GLU 149 Cb -0.06 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1q80 h GLU 149 CO -0.04 0.63 0.03 0.35 -1.16 0.00 0.00 179.01 178.83 1q80 h PHE 150 N 0.42 0.06 -0.36 4.33 3.04 -1.30 -1.71 116.94 121.43 1q80 h PHE 150 Ca 0.11 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.94 1q80 h PHE 150 Cb 0.33 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1q80 h PHE 150 CO 0.02 0.06 -0.25 -0.39 -2.02 0.00 0.00 178.31 175.73 1q80 h VAL 151 N 0.05 1.27 0.67 1.41 -1.51 -1.15 -1.20 116.25 115.80 1q80 h VAL 151 Ca 0.02 -1.36 -0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1q80 h VAL 151 Cb 0.01 1.26 0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1q80 h VAL 151 CO -0.00 0.45 -0.32 0.40 -1.23 0.00 0.00 177.57 176.86 1q80 h ILE 152 N 0.64 0.31 -0.56 7.19 1.08 -1.21 -0.02 117.51 124.93 1q80 h ILE 152 Ca 0.08 -0.10 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 1q80 h ILE 152 Cb 0.75 0.34 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1q80 h ILE 152 CO 0.06 0.01 0.32 0.00 -0.69 0.00 0.00 178.15 177.85 1q80 h ALA 153 N -0.69 0.73 -0.71 1.87 0.00 -1.37 -1.68 119.26 117.42 1q80 h ALA 153 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1q80 h ALA 153 Cb 0.71 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1q80 h ALA 153 CO 0.15 0.02 0.17 0.78 0.00 0.00 0.00 179.25 180.37 1q80 h GLY 154 N 0.62 1.22 0.83 0.00 0.00 -1.24 -1.39 103.07 103.12 1q80 h GLY 154 Ca 0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1q80 h GLY 154 CO -0.13 0.72 0.04 0.23 0.00 0.00 0.00 176.54 177.39 1q80 h SER 155 N 1.08 0.22 -0.93 0.19 0.87 -0.87 -0.47 113.55 113.63 1q80 h SER 155 Ca 0.22 -0.23 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1q80 h SER 155 Cb 0.38 -0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.20 1q80 h SER 155 CO 0.00 0.39 0.56 0.44 -0.53 0.00 0.00 176.83 177.70 1q80 h ASP 156 N 0.03 0.83 0.95 6.23 5.19 -1.24 0.27 116.42 128.69 1q80 h ASP 156 Ca 0.04 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1q80 h ASP 156 Cb 0.26 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.65 1q80 h ASP 156 CO 0.00 0.47 -0.46 0.15 -3.12 0.00 0.00 179.24 176.28 1q80 h PHE 157 N 0.93 -1.18 -0.75 4.55 3.04 -1.12 0.12 116.94 122.52 1q80 h PHE 157 Ca 0.45 -0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.43 1q80 h PHE 157 Cb 0.40 0.39 -0.06 0.00 2.56 0.00 0.00 35.95 39.24 1q80 h PHE 157 CO -0.03 -0.74 0.45 0.74 -2.02 0.00 0.00 178.31 176.71 1q80 h PHE 158 N -1.34 0.82 0.00 0.41 0.04 -0.78 -3.39 116.94 112.70 1q80 h PHE 158 Ca -0.13 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1q80 h PHE 158 Cb 0.98 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.87 1q80 h PHE 158 CO 0.00 0.41 0.00 0.00 -0.60 0.00 0.00 178.31 178.12 1q80 n MET 159 N -4.71 0.00 -1.57 1.51 0.00 0.06 -5.02 117.12 107.39 1q80 n MET 159 Ca 0.10 0.01 -0.47 0.00 0.00 0.00 0.00 57.70 57.34 1q80 n MET 159 Cb 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 33.22 33.19 1q80 n MET 159 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1q80 n ASN 160 N -1.65 2.95 -1.92 3.17 3.02 0.41 -4.78 115.26 116.47 1q80 n ASN 160 Ca 0.00 0.46 -0.19 0.00 -0.03 0.00 0.00 54.58 54.82 1q80 n ASN 160 Cb 0.00 -1.42 0.10 0.00 -0.61 0.00 0.00 39.78 37.85 1q80 n ASN 160 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1q80 n ASP 161 N 9.85 4.70 -4.90 6.41 8.00 -1.26 -4.56 116.55 134.78 1q80 n ASP 161 Ca 0.32 -3.18 -0.21 0.00 0.71 0.00 0.00 54.79 52.43 1q80 n ASP 161 Cb 0.34 -0.83 0.07 0.00 -0.02 0.00 0.00 41.12 40.67 1q80 n ASP 161 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1q80 s GLY 162 N -0.58 1.77 -0.26 0.44 0.00 -1.26 -4.92 107.32 102.50 1q80 s GLY 162 Ca 0.41 -1.88 -0.14 0.00 0.00 0.00 0.00 44.72 43.12 1q80 s GLY 162 CO 0.05 -1.43 0.31 -0.35 0.00 0.00 0.00 173.10 171.68 1q80 s ASP 163 N -4.63 6.20 0.06 1.64 2.15 -1.26 -4.86 116.67 115.96 1q80 s ASP 163 Ca 0.62 0.22 -0.28 0.00 0.43 0.00 0.00 52.55 53.54 1q80 s ASP 163 Cb -0.06 -2.18 0.09 0.00 -0.30 0.00 0.00 42.92 40.47 1q80 s ASP 163 CO 0.40 -0.12 1.07 -0.44 -0.17 0.00 0.00 175.17 175.91 1q80 s SER 164 N 1.57 -0.16 0.47 -0.34 0.01 -1.26 -5.07 113.70 108.92 1q80 s SER 164 Ca 0.13 -0.24 0.13 0.00 1.31 0.00 0.00 55.95 57.27 1q80 s SER 164 Cb -0.16 0.35 1.08 0.00 0.21 0.00 0.00 66.02 67.51 1q80 s SER 164 CO 0.10 -0.64 2.07 0.00 0.41 0.00 0.00 173.24 175.18 1q80 h THR 165 N 2.00 1.07 -0.15 1.44 1.03 -1.96 -2.99 112.91 113.34 1q80 h THR 165 Ca -0.25 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1q80 h THR 165 Cb 1.22 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1q80 h THR 165 CO 0.27 0.08 0.00 -0.46 -0.01 0.00 0.00 175.52 175.40 1q80 n ASN 166 N -4.45 1.28 0.21 0.00 6.94 -1.26 -4.11 115.26 113.87 1q80 n ASN 166 Ca -0.01 -2.07 0.09 0.00 -0.02 0.00 0.00 54.58 52.57 1q80 n ASN 166 Cb 0.14 -0.26 0.39 0.00 -2.36 0.00 0.00 39.78 37.69 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 0.92 0.00 -4.46 -3.83 2.10 -1.86 -3.34 116.57 106.10 1q80 h LYS 167 Ca 0.00 0.00 -0.74 0.00 -2.00 0.00 0.00 60.65 57.91 1q80 h LYS 167 Cb 0.43 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.55 1q80 h LYS 167 CO 0.04 0.24 0.40 0.08 -2.00 0.00 0.00 179.45 178.21 1q80 s VAL 168 N -3.53 5.13 -1.25 0.07 1.01 -1.26 -4.84 120.40 115.72 1q80 s VAL 168 Ca 0.01 -1.87 0.23 0.00 0.00 0.00 0.00 61.98 60.35 1q80 s VAL 168 Cb 0.10 -4.60 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1q80 s VAL 168 CO 0.65 -1.24 1.12 0.33 0.00 0.00 0.00 175.10 175.96 1q80 n PHE 169 N 5.40 0.00 -3.18 5.22 7.35 -1.25 -4.93 117.46 126.07 1q80 n PHE 169 Ca 0.14 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.61 1q80 n PHE 169 Cb 0.47 -0.07 -0.05 0.00 0.35 0.00 0.00 39.48 40.18 1q80 n PHE 169 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1q80 n TRP 170 N -1.16 0.89 -4.63 -5.13 7.02 -1.26 -5.03 117.44 108.13 1q80 n TRP 170 Ca 0.06 -3.80 0.00 0.00 -1.02 0.00 0.00 57.50 52.74 1q80 n TRP 170 Cb 0.36 -0.42 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 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 0.59 0.14 3.77 6.99 0.00 -1.26 -4.85 105.19 110.58 1q80 n GLY 171 Ca 0.25 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 3.78 -0.00 1.61 0.02 -1.26 -4.85 135.00 134.30 1q80 s PRO 172 Ca 0.00 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 1q80 s PRO 172 Cb 0.00 -2.36 -0.07 0.00 0.02 0.00 0.00 34.50 32.09 1q80 s PRO 172 CO 0.00 -0.51 1.73 -0.51 -0.33 0.00 0.00 177.00 177.38 1q80 s LEU 173 N -3.08 4.36 0.00 -5.54 1.43 -1.26 -4.96 118.68 109.63 1q80 s LEU 173 Ca 0.64 2.41 0.30 0.00 -1.03 0.00 0.00 54.13 56.44 1q80 s LEU 173 Cb -0.26 -3.54 1.42 0.00 0.03 0.00 0.00 46.19 43.84 1q80 s LEU 173 CO 0.32 -0.95 1.95 0.55 0.23 0.00 0.00 176.35 178.45