#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s PRO 2 N 0.00 3.23 0.50 1.97 0.02 -1.26 -4.96 135.00 134.50 1q81 s PRO 2 Ca 0.00 1.39 0.28 0.00 0.02 0.00 0.00 61.00 62.69 1q81 s PRO 2 Cb 0.00 -2.01 1.20 0.00 0.02 0.00 0.00 34.50 33.72 1q81 s PRO 2 CO 0.00 -0.91 1.94 0.78 -0.33 0.00 0.00 177.00 178.48 1q81 h GLY 3 N 0.65 0.00 1.86 0.52 0.00 -2.02 -2.72 103.07 101.37 1q81 h GLY 3 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1q81 h GLY 3 CO 0.56 0.00 0.07 0.00 0.00 0.00 0.00 176.54 177.17 1q81 h ALA 4 N 1.87 1.18 0.00 3.60 0.00 -1.99 0.59 119.26 124.51 1q81 h ALA 4 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1q81 h ALA 4 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1q81 h ALA 4 CO 0.02 -0.07 -0.13 0.52 0.00 0.00 0.00 179.25 179.59 1q81 h MET 5 N 0.00 0.00 0.00 0.00 2.86 -1.88 -3.39 114.93 112.52 1q81 h MET 5 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1q81 h MET 5 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1q81 h MET 5 CO -0.00 0.06 0.00 0.66 1.06 0.00 0.00 176.91 178.69 1q81 n TYR 6 N -3.09 0.00 0.72 -0.22 4.02 -0.64 -4.91 117.16 113.05 1q81 n TYR 6 Ca 0.03 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.02 1q81 n TYR 6 Cb 0.56 0.01 0.43 0.00 -0.02 0.00 0.00 39.34 40.32 1q81 n TYR 6 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1q81 n ARG 7 N 0.00 0.04 -3.96 -0.72 1.85 0.11 -4.47 116.66 109.50 1q81 n ARG 7 Ca 0.00 0.15 -0.28 0.00 -1.00 0.00 0.00 57.85 56.72 1q81 n ARG 7 Cb 0.49 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.36 1q81 n ARG 7 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1q81 s ASN 8 N -2.94 6.18 -1.09 2.89 0.02 -1.26 -1.51 114.94 117.23 1q81 s ASN 8 Ca 0.11 0.16 -0.03 0.00 -1.02 0.00 0.00 52.86 52.08 1q81 s ASN 8 Cb 0.13 -1.84 0.29 0.00 0.02 0.00 0.00 41.25 39.86 1q81 s ASN 8 CO 0.35 0.11 1.71 -1.20 0.02 0.00 0.00 177.10 178.09 1q81 n SER 9 N -0.10 6.83 -0.08 -1.22 7.64 -1.26 -4.61 113.62 120.82 1q81 n SER 9 Ca -0.07 -3.49 0.05 0.00 1.01 0.00 0.00 58.87 56.38 1q81 n SER 9 Cb 0.53 -1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 1q81 n SER 9 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1q81 n SER 10 N 0.95 0.75 -4.97 6.43 3.41 -1.26 -5.00 113.62 113.94 1q81 n SER 10 Ca 0.38 -0.88 -0.21 0.00 -0.26 0.00 0.00 58.87 57.90 1q81 n SER 10 Cb 0.30 0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 65.08 1q81 n SER 10 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q81 s LYS 11 N -1.89 3.38 1.21 4.33 1.02 -1.26 -5.09 119.74 121.44 1q81 s LYS 11 Ca 0.06 -0.68 -0.17 0.00 0.02 0.00 0.00 55.97 55.20 1q81 s LYS 11 Cb 0.09 -2.81 0.29 0.00 -0.52 0.00 0.00 37.83 34.87 1q81 s LYS 11 CO 0.41 0.28 1.04 -2.14 -0.92 0.00 0.00 175.35 174.01 1q81 s PRO 12 N -4.11 -1.25 -0.00 -1.68 0.02 -1.26 -4.91 135.00 121.80 1q81 s PRO 12 Ca 0.38 0.35 -0.30 0.00 0.02 0.00 0.00 61.00 61.44 1q81 s PRO 12 Cb -0.09 -1.56 -0.04 0.00 0.02 0.00 0.00 34.50 32.83 1q81 s PRO 12 CO 0.31 -3.82 1.17 0.00 -0.33 0.00 0.00 177.00 174.34 1q81 s ALA 13 N -2.67 3.42 -0.41 -1.55 0.00 -1.26 -4.98 121.76 114.31 1q81 s ALA 13 Ca 0.68 0.70 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1q81 s ALA 13 Cb -0.17 -3.47 0.12 0.00 0.00 0.00 0.00 23.12 19.60 1q81 s ALA 13 CO 0.59 -0.57 0.18 -0.47 0.00 0.00 0.00 175.76 175.50 1q81 s TYR 14 N 1.62 2.49 0.00 0.00 5.04 -1.26 -4.89 117.35 120.34 1q81 s TYR 14 Ca 0.56 -2.55 0.00 0.00 -2.44 0.00 0.00 57.07 52.64 1q81 s TYR 14 Cb -0.26 -2.23 0.00 0.00 0.35 0.00 0.00 41.96 39.82 1q81 s TYR 14 CO 0.25 -0.82 0.00 0.25 -1.34 0.00 0.00 175.55 173.89 1q81 n THR 15 N 3.82 0.00 -1.75 4.34 -2.24 -1.26 -1.10 114.28 116.09 1q81 n THR 15 Ca 0.05 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1q81 n THR 15 Cb 0.37 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1q81 n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1q81 s ARG 16 N -0.30 2.31 0.32 -0.78 1.81 -1.26 -4.82 118.95 116.22 1q81 s ARG 16 Ca 0.00 1.10 0.26 0.00 -1.72 0.00 0.00 55.73 55.36 1q81 s ARG 16 Cb 0.00 -4.51 1.05 0.00 -0.45 0.00 0.00 34.95 31.05 1q81 s ARG 16 CO 0.00 -3.07 1.77 0.00 -0.68 0.00 0.00 175.30 173.32 1q81 h ARG 17 N 17.77 0.00 0.00 3.54 3.08 -1.96 -1.93 114.38 134.87 1q81 h ARG 17 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1q81 h ARG 17 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1q81 h ARG 17 CO 1.18 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 179.23 1q81 n GLU 18 N -2.42 0.17 -0.01 0.04 0.00 -1.26 -2.87 120.64 114.30 1q81 n GLU 18 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 57.16 57.49 1q81 n GLU 18 Cb 0.25 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 29.92 1q81 n GLU 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1q81 n TYR 19 N -2.10 0.00 -4.36 -1.84 4.02 -0.75 -5.01 117.16 107.13 1q81 n TYR 19 Ca 0.04 -0.41 -0.18 0.00 -0.01 0.00 0.00 57.90 57.33 1q81 n TYR 19 Cb 0.29 -0.04 -0.15 0.00 -0.02 0.00 0.00 39.34 39.42 1q81 n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1q81 s ILE 20 N -0.85 0.72 0.04 -0.72 1.01 -1.06 -5.07 121.20 115.26 1q81 s ILE 20 Ca 0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1q81 s ILE 20 Cb 0.01 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1q81 s ILE 20 CO 0.00 0.17 -0.03 -0.94 0.00 0.00 0.00 174.94 174.15 1q81 s SER 21 N -0.30 0.41 0.00 3.58 1.04 -1.26 -4.70 113.70 112.47 1q81 s SER 21 Ca 0.03 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1q81 s SER 21 Cb -0.04 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1q81 s SER 21 CO -0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1q81 n GLY 22 N 0.59 0.75 3.62 7.32 0.00 -1.26 -4.80 105.19 111.41 1q81 n GLY 22 Ca -0.17 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1q81 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q81 s ILE 23 N -2.31 4.65 0.52 -0.61 1.01 -1.26 -4.72 121.20 118.48 1q81 s ILE 23 Ca 0.00 1.33 -0.22 0.00 0.00 0.00 0.00 60.65 61.76 1q81 s ILE 23 Cb 0.00 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 1q81 s ILE 23 CO 0.00 -0.41 1.12 -2.65 0.00 0.00 0.00 174.94 173.00 1q81 n PRO 24 N 6.57 1.36 -1.90 2.79 -0.02 -1.26 -4.95 135.00 137.59 1q81 n PRO 24 Ca 0.07 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 1q81 n PRO 24 Cb 0.48 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1q81 n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1q81 s GLY 25 N -0.94 2.06 0.11 -1.23 0.00 -1.26 -4.79 107.32 101.28 1q81 s GLY 25 Ca 0.70 0.39 -0.30 0.00 0.00 0.00 0.00 44.72 45.50 1q81 s GLY 25 CO 0.51 0.71 1.14 1.25 0.00 0.00 0.00 173.10 176.72 1q81 s LYS 26 N -4.22 4.51 0.07 2.90 2.20 -1.26 -4.92 119.74 119.02 1q81 s LYS 26 Ca 0.64 1.73 0.22 0.00 -0.36 0.00 0.00 55.97 58.20 1q81 s LYS 26 Cb -0.17 -3.32 0.91 0.00 -1.51 0.00 0.00 37.83 33.75 1q81 s LYS 26 CO 0.41 -0.09 1.71 1.63 -0.36 0.00 0.00 175.35 178.64 1q81 n LYS 27 N 3.17 0.07 -1.97 4.03 5.02 -1.26 -4.78 118.16 122.44 1q81 n LYS 27 Ca 0.06 0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 56.11 1q81 n LYS 27 Cb 0.46 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1q81 n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1q81 s ILE 28 N -3.06 3.49 -0.03 -0.18 1.01 -1.26 -4.87 121.20 116.30 1q81 s ILE 28 Ca 0.09 0.55 -0.20 0.00 0.00 0.00 0.00 60.65 61.10 1q81 s ILE 28 Cb 0.13 -3.49 -0.12 0.00 0.01 0.00 0.00 42.46 38.99 1q81 s ILE 28 CO 0.42 -0.20 0.84 0.00 0.00 0.00 0.00 174.94 176.01 1q81 h ALA 29 N 11.32 -0.49 -2.58 9.38 0.00 -1.95 -3.48 119.26 131.46 1q81 h ALA 29 Ca -0.37 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1q81 h ALA 29 Cb 1.18 0.19 -0.18 0.00 0.00 0.00 0.00 17.79 18.98 1q81 h ALA 29 CO 0.98 -0.51 -0.69 -0.65 0.00 0.00 0.00 179.25 178.38 1q81 s GLN 30 N -3.73 0.50 -0.00 0.00 -0.21 -1.26 -5.04 119.66 109.92 1q81 s GLN 30 Ca -0.11 -0.96 0.09 0.00 0.02 0.00 0.00 55.36 54.40 1q81 s GLN 30 Cb 0.01 0.13 -0.11 0.00 1.00 0.00 0.00 33.01 34.03 1q81 s GLN 30 CO 0.37 -0.07 0.35 1.19 -2.12 0.00 0.00 175.29 175.00 1q81 n PHE 31 N 0.75 0.00 -3.98 0.91 3.01 -1.26 -4.90 117.46 112.00 1q81 n PHE 31 Ca -0.18 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 57.98 1q81 n PHE 31 Cb 0.58 -0.05 -0.16 0.00 -0.01 0.00 0.00 39.48 39.84 1q81 n PHE 31 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1q81 s ASP 32 N -2.15 2.75 0.34 4.37 1.01 -1.26 -2.62 116.67 119.11 1q81 s ASP 32 Ca 0.02 -0.56 0.07 0.00 0.71 0.00 0.00 52.55 52.79 1q81 s ASP 32 Cb 0.07 -1.09 -0.07 0.00 1.01 0.00 0.00 42.92 42.84 1q81 s ASP 32 CO 0.38 -0.10 -0.02 -0.04 0.21 0.00 0.00 175.17 175.60 1q81 s MET 33 N 1.53 1.74 3.24 8.23 -1.94 -0.02 -4.92 119.30 127.16 1q81 s MET 33 Ca 0.03 -1.94 0.00 0.00 -1.71 0.00 0.00 55.69 52.08 1q81 s MET 33 Cb -0.14 -1.32 0.00 0.00 2.01 0.00 0.00 34.83 35.38 1q81 s MET 33 CO -0.09 -0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.30 1q81 n GLY 34 N -0.76 -0.14 3.55 -0.03 0.00 -1.26 -1.27 105.19 105.28 1q81 n GLY 34 Ca -0.04 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1q81 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q81 s ASN 35 N -4.00 6.65 0.00 1.61 0.01 0.55 -4.74 114.94 115.02 1q81 s ASN 35 Ca 0.00 -1.90 0.28 0.00 -0.71 0.00 0.00 52.86 50.54 1q81 s ASN 35 Cb 0.00 -2.54 1.29 0.00 0.41 0.00 0.00 41.25 40.41 1q81 s ASN 35 CO 0.00 -1.31 1.94 -0.46 -1.51 0.00 0.00 177.10 175.75 1q81 n ASN 36 N 8.28 0.00 0.06 -1.22 0.23 -1.26 -2.97 115.26 118.37 1q81 n ASN 36 Ca 0.37 0.30 -0.06 0.00 -0.53 0.00 0.00 54.58 54.65 1q81 n ASN 36 Cb 0.49 -0.43 0.10 0.00 -2.08 0.00 0.00 39.78 37.86 1q81 n ASN 36 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1q81 h GLY 37 N 4.84 0.38 -2.34 4.83 0.00 -1.97 -3.44 103.07 105.37 1q81 h GLY 37 Ca 0.00 -0.46 -0.47 0.00 0.00 0.00 0.00 47.33 46.41 1q81 h GLY 37 CO 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 176.54 176.85 1q81 s ALA 38 N -3.86 3.70 0.26 3.60 0.00 -1.16 -5.12 121.76 119.19 1q81 s ALA 38 Ca -0.05 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.02 1q81 s ALA 38 Cb 0.12 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1q81 s ALA 38 CO 0.81 -0.27 0.21 0.20 0.00 0.00 0.00 175.76 176.71 1q81 s GLY 39 N -4.15 1.46 0.00 0.00 0.00 -1.26 -4.96 107.32 98.40 1q81 s GLY 39 Ca 0.46 -1.45 -0.09 0.00 0.00 0.00 0.00 44.72 43.63 1q81 s GLY 39 CO 0.38 -1.48 0.81 -1.05 0.00 0.00 0.00 173.10 171.76 1q81 n PRO 40 N -1.21 0.00 -0.93 2.90 -0.02 -1.26 -4.52 135.00 129.96 1q81 n PRO 40 Ca -0.07 -0.36 -0.07 0.00 -2.02 0.00 0.00 63.50 60.98 1q81 n PRO 40 Cb 0.58 -1.56 0.24 0.00 -0.02 0.00 0.00 33.50 32.74 1q81 n PRO 40 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1q81 n THR 41 N 4.58 2.81 -3.53 3.45 -2.24 -1.26 -5.01 114.28 113.07 1q81 n THR 41 Ca 0.14 -2.04 -0.30 0.00 -2.27 0.00 0.00 64.05 59.58 1q81 n THR 41 Cb 0.24 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1q81 n THR 41 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1q81 s TYR 42 N -3.11 3.46 -0.01 4.78 1.51 -1.26 -5.03 117.35 117.70 1q81 s TYR 42 Ca 0.51 0.62 -0.25 0.00 -1.01 0.00 0.00 57.07 56.94 1q81 s TYR 42 Cb 0.43 -2.07 -0.18 0.00 -0.11 0.00 0.00 41.96 40.03 1q81 s TYR 42 CO 0.09 0.32 1.25 -1.35 -1.11 0.00 0.00 175.55 174.74 1q81 h PRO 43 N 2.32 -0.16 -5.54 -1.71 0.11 -1.91 -3.45 132.00 121.67 1q81 h PRO 43 Ca -0.47 0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 1q81 h PRO 43 Cb 1.18 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1q81 h PRO 43 CO 0.69 0.23 -0.51 0.00 -0.21 0.00 0.00 178.00 178.20 1q81 s ALA 44 N -4.54 3.71 -0.31 -0.75 0.00 0.27 -4.43 121.76 115.71 1q81 s ALA 44 Ca -0.15 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 1q81 s ALA 44 Cb 0.02 -1.96 0.10 0.00 0.00 0.00 0.00 23.12 21.29 1q81 s ALA 44 CO 0.61 0.45 0.13 -1.14 0.00 0.00 0.00 175.76 175.80 1q81 s GLN 45 N -0.51 0.43 0.29 0.00 0.74 -1.15 -0.13 119.66 119.34 1q81 s GLN 45 Ca 0.12 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 54.73 1q81 s GLN 45 Cb -0.12 -1.51 -0.03 0.00 1.10 0.00 0.00 33.01 32.45 1q81 s GLN 45 CO 0.02 -1.02 0.47 0.08 -0.55 0.00 0.00 175.29 174.28 1q81 s VAL 46 N 1.81 5.17 0.01 1.34 1.01 -1.02 -0.60 120.40 128.12 1q81 s VAL 46 Ca 0.10 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1q81 s VAL 46 Cb -0.17 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1q81 s VAL 46 CO -0.29 -0.44 -0.00 -1.61 0.00 0.00 0.00 175.10 172.75 1q81 s GLU 47 N -4.10 0.23 -0.44 2.72 2.02 0.74 -1.91 118.70 117.97 1q81 s GLU 47 Ca 0.38 -0.39 -0.17 0.00 0.02 0.00 0.00 54.97 54.81 1q81 s GLU 47 Cb -0.09 0.08 0.03 0.00 0.10 0.00 0.00 34.13 34.25 1q81 s GLU 47 CO 0.33 -0.04 0.42 -1.17 0.02 0.00 0.00 175.26 174.81 1q81 s LEU 48 N -0.97 5.06 -0.32 1.80 2.96 0.30 0.45 118.68 127.97 1q81 s LEU 48 Ca -0.11 -0.86 -0.12 0.00 -0.22 0.00 0.00 54.13 52.82 1q81 s LEU 48 Cb -0.07 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 1q81 s LEU 48 CO -0.00 -0.59 0.22 -0.69 -1.32 0.00 0.00 176.35 173.96 1q81 s VAL 49 N 1.99 5.27 0.38 1.68 1.01 0.24 -1.67 120.40 129.30 1q81 s VAL 49 Ca 0.09 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 1q81 s VAL 49 Cb -0.19 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1q81 s VAL 49 CO 0.11 0.09 1.26 -0.69 0.00 0.00 0.00 175.10 175.87 1q81 s VAL 50 N 1.73 2.81 -1.92 2.92 1.01 -0.66 0.00 120.40 126.29 1q81 s VAL 50 Ca 0.06 0.74 0.17 0.00 0.00 0.00 0.00 61.98 62.95 1q81 s VAL 50 Cb -0.17 -3.44 0.24 0.00 0.00 0.00 0.00 36.38 33.02 1q81 s VAL 50 CO 0.11 0.11 1.15 -0.62 0.00 0.00 0.00 175.10 175.85 1q81 n GLU 51 N 0.29 1.83 -3.69 2.72 1.02 -0.90 0.15 120.64 122.06 1q81 n GLU 51 Ca 0.03 -1.78 -0.11 0.00 -0.02 0.00 0.00 57.16 55.28 1q81 n GLU 51 Cb 0.44 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1q81 n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1q81 s LYS 52 N -1.30 0.50 0.21 3.49 1.02 -1.26 -4.65 119.74 117.75 1q81 s LYS 52 Ca 0.25 0.83 -0.32 0.00 0.02 0.00 0.00 55.97 56.75 1q81 s LYS 52 Cb 0.16 0.09 -0.14 0.00 -0.52 0.00 0.00 37.83 37.42 1q81 s LYS 52 CO 0.22 -0.13 1.46 -2.30 -0.92 0.00 0.00 175.35 173.68 1q81 n PRO 53 N 3.87 2.05 -3.91 -1.68 -0.02 -1.26 -4.18 135.00 129.88 1q81 n PRO 53 Ca -0.20 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1q81 n PRO 53 Cb 0.56 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1q81 n PRO 53 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1q81 s VAL 54 N 0.22 0.00 -0.07 -1.45 -7.23 0.01 -4.79 120.40 107.09 1q81 s VAL 54 Ca 0.71 -1.21 0.04 0.00 -1.81 0.00 0.00 61.98 59.71 1q81 s VAL 54 Cb -0.66 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 1q81 s VAL 54 CO 0.46 0.00 -0.17 -1.10 -0.31 0.00 0.00 175.10 173.98 1q81 s GLN 55 N -2.54 2.67 -0.25 4.82 -0.21 -0.57 -1.37 119.66 122.22 1q81 s GLN 55 Ca 0.21 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.84 1q81 s GLN 55 Cb -0.03 -2.36 0.07 0.00 1.00 0.00 0.00 33.01 31.68 1q81 s GLN 55 CO 0.15 0.48 -0.04 0.42 -2.12 0.00 0.00 175.29 174.18 1q81 s ILE 56 N -0.36 1.58 0.34 1.08 1.01 0.37 -4.56 121.20 120.65 1q81 s ILE 56 Ca 0.03 -1.34 -0.29 0.00 0.00 0.00 0.00 60.65 59.05 1q81 s ILE 56 Cb -0.12 -1.88 -0.11 0.00 0.01 0.00 0.00 42.46 40.35 1q81 s ILE 56 CO 0.02 -0.17 1.54 0.54 0.00 0.00 0.00 174.94 176.87 1q81 n ARG 57 N 4.64 2.69 0.31 2.79 1.74 -1.26 -0.72 116.66 126.84 1q81 n ARG 57 Ca -0.10 0.95 0.09 0.00 -0.77 0.00 0.00 57.85 58.02 1q81 n ARG 57 Cb 0.44 -2.71 0.51 0.00 -1.02 0.00 0.00 32.46 29.68 1q81 n ARG 57 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 1q81 h HIS 58 N 3.85 0.00 0.27 -1.55 2.07 -1.78 1.38 115.15 119.38 1q81 h HIS 58 Ca -0.49 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.02 1q81 h HIS 58 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1q81 h HIS 58 CO 0.55 0.00 -0.13 -0.91 -3.07 0.00 0.00 177.93 174.38 1q81 h ASN 59 N 0.00 -0.30 -0.74 3.10 -0.26 -1.87 -2.18 115.58 113.33 1q81 h ASN 59 Ca 0.00 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.54 1q81 h ASN 59 Cb 1.05 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 38.36 1q81 h ASN 59 CO 0.00 -0.02 0.25 0.00 -1.06 0.00 0.00 177.43 176.60 1q81 h ALA 60 N 0.06 0.96 0.64 -0.83 0.00 0.15 -2.23 119.26 118.01 1q81 h ALA 60 Ca -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1q81 h ALA 60 Cb 0.43 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1q81 h ALA 60 CO 0.06 0.63 -0.31 -0.07 0.00 0.00 0.00 179.25 179.56 1q81 h LEU 61 N 1.08 -0.73 -0.48 0.00 -0.00 -1.29 0.20 115.31 114.09 1q81 h LEU 61 Ca 0.24 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.22 1q81 h LEU 61 Cb 0.28 0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 41.06 1q81 h LEU 61 CO -0.01 -0.52 0.08 -0.08 -0.00 0.00 0.00 178.44 177.91 1q81 h GLU 62 N -0.87 0.20 -0.21 1.13 4.57 -1.36 0.60 114.58 118.64 1q81 h GLU 62 Ca -0.09 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 1q81 h GLU 62 Cb 0.66 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1q81 h GLU 62 CO 0.14 0.13 -0.13 0.00 -1.18 0.00 0.00 179.01 177.98 1q81 h ALA 63 N 1.38 1.40 0.05 2.92 0.00 -1.24 0.76 119.26 124.54 1q81 h ALA 63 Ca 0.24 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1q81 h ALA 63 Cb 0.32 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.02 1q81 h ALA 63 CO -0.33 0.42 -1.09 0.00 0.00 0.00 0.00 179.25 178.25 1q81 h ALA 64 N 1.55 0.17 -0.11 0.00 0.00 0.77 -2.95 119.26 118.69 1q81 h ALA 64 Ca 0.06 -0.74 -0.15 0.00 0.00 0.00 0.00 54.91 54.08 1q81 h ALA 64 Cb 0.42 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1q81 h ALA 64 CO 0.02 0.76 -0.52 -0.09 0.00 0.00 0.00 179.25 179.43 1q81 h ARG 65 N 0.27 0.54 0.81 0.00 2.43 0.47 -3.13 114.38 115.78 1q81 h ARG 65 Ca -0.13 -0.44 -0.04 0.00 -0.81 0.00 0.00 59.98 58.56 1q81 h ARG 65 Cb 1.75 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 31.40 1q81 h ARG 65 CO 0.20 1.06 -0.39 0.28 -1.51 0.00 0.00 179.97 179.61 1q81 h VAL 66 N 0.15 0.19 -1.48 0.20 2.07 -0.97 -1.07 116.25 115.34 1q81 h VAL 66 Ca -0.03 -0.02 0.45 0.00 0.82 0.00 0.00 66.70 67.91 1q81 h VAL 66 Cb 1.16 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 1q81 h VAL 66 CO 0.11 0.00 1.02 0.00 0.02 0.00 0.00 177.57 178.72 1q81 h ALA 67 N -0.92 3.15 0.00 1.67 0.00 -1.60 1.06 119.26 122.62 1q81 h ALA 67 Ca -0.11 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1q81 h ALA 67 Cb 0.84 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1q81 h ALA 67 CO 0.18 -1.68 -0.86 0.00 0.00 0.00 0.00 179.25 176.89 1q81 h ALA 68 N 1.37 0.16 0.55 0.00 0.00 -1.44 -3.16 119.26 116.74 1q81 h ALA 68 Ca 0.79 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1q81 h ALA 68 Cb 2.82 0.55 0.01 0.00 0.00 0.00 0.00 17.79 21.17 1q81 h ALA 68 CO -0.19 0.53 -0.26 -0.97 0.00 0.00 0.00 179.25 178.35 1q81 h ASN 69 N -1.00 -0.63 -1.09 0.00 -0.00 -0.45 0.77 115.58 113.20 1q81 h ASN 69 Ca -0.21 -0.01 0.32 0.00 -0.00 0.00 0.00 56.30 56.40 1q81 h ASN 69 Cb 1.02 0.16 -0.13 0.00 -0.00 0.00 0.00 38.32 39.37 1q81 h ASN 69 CO -0.13 -0.39 0.67 -0.09 -0.00 0.00 0.00 177.43 177.49 1q81 h ARG 70 N -0.82 0.31 0.00 6.67 2.43 0.95 1.00 114.38 124.92 1q81 h ARG 70 Ca -0.08 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.88 1q81 h ARG 70 Cb 0.60 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1q81 h ARG 70 CO 0.12 0.20 -0.93 -0.92 -1.51 0.00 0.00 179.97 176.94 1q81 h TYR 71 N 0.32 0.03 0.00 2.20 3.20 -1.27 -3.16 116.97 118.30 1q81 h TYR 71 Ca 0.71 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.55 1q81 h TYR 71 Cb 1.79 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.05 1q81 h TYR 71 CO -0.01 0.94 0.00 1.55 -1.64 0.00 0.00 178.16 179.00 1q81 n VAL 72 N -3.46 0.00 -1.78 1.81 3.14 0.35 -2.90 118.33 115.49 1q81 n VAL 72 Ca -0.01 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.01 1q81 n VAL 72 Cb 0.87 -0.31 0.01 0.00 -1.06 0.00 0.00 33.84 33.36 1q81 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q81 n GLN 73 N -0.26 2.64 0.00 1.45 3.00 -1.18 -2.76 117.38 120.26 1q81 n GLN 73 Ca 0.00 -3.15 0.01 0.00 -0.01 0.00 0.00 57.00 53.85 1q81 n GLN 73 Cb 0.02 -2.23 -0.01 0.00 0.00 0.00 0.00 30.24 28.02 1q81 n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1q81 n ASN 74 N -0.11 0.24 -0.04 1.08 5.15 -1.14 -4.39 115.26 116.04 1q81 n ASN 74 Ca 0.52 -0.62 0.04 0.00 -0.60 0.00 0.00 54.58 53.92 1q81 n ASN 74 Cb 0.34 0.88 -0.03 0.00 -0.53 0.00 0.00 39.78 40.43 1q81 n ASN 74 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1q81 n SER 75 N -0.91 0.52 0.00 1.20 7.64 -1.11 -5.12 113.62 115.84 1q81 n SER 75 Ca 0.01 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1q81 n SER 75 Cb 0.04 0.88 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1q81 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q81 n GLY 76 N 1.10 2.42 0.42 0.23 0.00 -1.26 -3.93 105.19 104.18 1q81 n GLY 76 Ca 0.02 -1.57 0.23 0.00 0.00 0.00 0.00 46.02 44.70 1q81 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 h ALA 77 N 0.00 2.40 -0.22 4.61 0.00 -1.91 0.20 119.26 124.34 1q81 h ALA 77 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1q81 h ALA 77 Cb 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.66 1q81 h ALA 77 CO 0.00 -0.90 -0.67 0.00 0.00 0.00 0.00 179.25 177.68 1q81 n ALA 78 N -2.42 3.86 -0.51 0.00 0.00 -1.26 -4.98 120.51 115.19 1q81 n ALA 78 Ca 0.12 -3.32 -0.29 0.00 0.00 0.00 0.00 53.44 49.95 1q81 n ALA 78 Cb 0.81 -0.40 0.24 0.00 0.00 0.00 0.00 19.45 20.10 1q81 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q81 n ALA 79 N -0.83 -3.13 -3.13 0.00 0.00 0.71 -4.94 120.51 109.20 1q81 n ALA 79 Ca 0.24 -1.20 -0.45 0.00 0.00 0.00 0.00 53.44 52.04 1q81 n ALA 79 Cb 0.82 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 1q81 n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q81 s ASN 80 N -2.30 7.02 -0.06 0.00 3.04 -1.26 -4.40 114.94 116.97 1q81 s ASN 80 Ca 0.66 -2.96 -0.30 0.00 0.04 0.00 0.00 52.86 50.30 1q81 s ASN 80 Cb -0.23 -2.31 0.11 0.00 -1.54 0.00 0.00 41.25 37.28 1q81 s ASN 80 CO 0.65 -0.63 0.96 -0.72 -3.04 0.00 0.00 177.10 174.32 1q81 s TYR 81 N 0.65 -0.31 -0.08 0.43 -0.85 -1.26 -4.61 117.35 111.32 1q81 s TYR 81 Ca 0.33 0.24 -0.00 0.00 -0.52 0.00 0.00 57.07 57.12 1q81 s TYR 81 Cb -0.07 0.52 0.02 0.00 0.38 0.00 0.00 41.96 42.82 1q81 s TYR 81 CO -0.06 -0.45 -0.04 -1.59 -1.52 0.00 0.00 175.55 171.89 1q81 s LYS 82 N -2.72 1.00 -0.10 -3.49 -2.85 -0.98 -0.33 119.74 110.27 1q81 s LYS 82 Ca 0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 55.97 54.89 1q81 s LYS 82 Cb -0.01 -1.15 -0.04 0.00 -2.06 0.00 0.00 37.83 34.58 1q81 s LYS 82 CO -0.07 -0.22 0.09 0.12 0.10 0.00 0.00 175.35 175.38 1q81 s PHE 83 N 1.55 3.43 -0.09 1.78 5.36 -0.39 -0.71 117.98 128.91 1q81 s PHE 83 Ca -0.00 0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 56.33 1q81 s PHE 83 Cb -0.13 -1.88 0.05 0.00 -0.34 0.00 0.00 43.02 40.72 1q81 s PHE 83 CO -0.04 0.64 0.18 1.03 -1.46 0.00 0.00 175.22 175.56 1q81 s ARG 84 N -1.01 0.09 -0.62 10.12 0.52 0.23 -0.84 118.95 127.45 1q81 s ARG 84 Ca 0.15 0.51 -0.11 0.00 -0.52 0.00 0.00 55.73 55.76 1q81 s ARG 84 Cb -0.12 -0.19 0.16 0.00 0.52 0.00 0.00 34.95 35.32 1q81 s ARG 84 CO 0.04 -0.23 0.52 -1.50 0.02 0.00 0.00 175.30 174.15 1q81 s ILE 85 N 1.74 4.75 -2.00 1.52 2.07 -1.08 0.12 121.20 128.32 1q81 s ILE 85 Ca -0.04 -2.13 0.13 0.00 -1.41 0.00 0.00 60.65 57.20 1q81 s ILE 85 Cb -0.12 -4.04 0.37 0.00 0.13 0.00 0.00 42.46 38.81 1q81 s ILE 85 CO -0.07 -0.89 1.22 -2.11 -1.91 0.00 0.00 174.94 171.18 1q81 n ARG 86 N 4.46 0.54 -4.34 3.50 1.85 -0.87 -4.80 116.66 117.01 1q81 n ARG 86 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 1q81 n ARG 86 Cb 0.42 -1.37 -0.09 0.00 -1.05 0.00 0.00 32.46 30.36 1q81 n ARG 86 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1q81 s LYS 87 N -2.00 2.60 -0.02 2.89 -0.14 -1.26 -5.09 119.74 116.71 1q81 s LYS 87 Ca 0.20 -0.72 0.06 0.00 -1.36 0.00 0.00 55.97 54.14 1q81 s LYS 87 Cb 0.09 -2.55 -0.01 0.00 -1.68 0.00 0.00 37.83 33.68 1q81 s LYS 87 CO 0.15 0.59 -0.20 -0.06 -0.76 0.00 0.00 175.35 175.07 1q81 s PHE 88 N -1.08 1.83 -1.13 3.18 0.40 -1.26 -5.06 117.98 114.86 1q81 s PHE 88 Ca 0.19 -0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 55.90 1q81 s PHE 88 Cb -0.11 -1.19 -0.09 0.00 0.51 0.00 0.00 43.02 42.13 1q81 s PHE 88 CO 0.10 -0.06 1.96 -1.25 0.70 0.00 0.00 175.22 176.67 1q81 s PRO 89 N -0.38 2.38 -0.12 0.24 0.04 -1.26 -4.47 135.00 131.44 1q81 s PRO 89 Ca 0.05 -0.94 -0.22 0.00 0.04 0.00 0.00 61.00 59.93 1q81 s PRO 89 Cb -0.09 -5.19 -0.26 0.00 0.04 0.00 0.00 34.50 29.00 1q81 s PRO 89 CO -0.00 -4.02 0.63 0.74 0.04 0.00 0.00 177.00 174.39 1q81 h PHE 90 N 10.17 0.25 -2.23 0.56 -1.00 -1.92 -3.39 116.94 119.37 1q81 h PHE 90 Ca 0.18 -0.18 -0.55 0.00 2.81 0.00 0.00 57.97 60.22 1q81 h PHE 90 Cb 0.95 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 40.52 1q81 h PHE 90 CO 1.20 1.32 1.33 -1.58 -1.61 0.00 0.00 178.31 178.97 1q81 s HIS 91 N -2.37 1.23 0.34 -0.55 2.46 -0.62 -4.68 115.29 111.11 1q81 s HIS 91 Ca -0.20 -0.11 -0.25 0.00 0.47 0.00 0.00 55.06 54.97 1q81 s HIS 91 Cb 0.02 -4.13 -0.10 0.00 -0.13 0.00 0.00 32.58 28.23 1q81 s HIS 91 CO 0.73 -5.05 0.96 0.08 -2.47 0.00 0.00 174.74 168.98 1q81 s VAL 92 N 5.86 4.18 -0.00 0.89 1.01 -0.26 0.26 120.40 132.33 1q81 s VAL 92 Ca 0.93 1.73 0.05 0.00 0.00 0.00 0.00 61.98 64.68 1q81 s VAL 92 Cb -0.39 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1q81 s VAL 92 CO 0.39 0.07 -0.14 0.27 0.00 0.00 0.00 175.10 175.69 1q81 s ILE 93 N -1.69 1.14 0.52 2.22 -4.36 0.20 -4.79 121.20 114.45 1q81 s ILE 93 Ca 0.52 -0.68 0.04 0.00 -0.26 0.00 0.00 60.65 60.27 1q81 s ILE 93 Cb -0.18 -0.97 0.01 0.00 1.25 0.00 0.00 42.46 42.58 1q81 s ILE 93 CO 0.23 0.27 0.22 0.00 0.24 0.00 0.00 174.94 175.90 1q81 s ARG 94 N -0.48 2.23 -0.21 0.37 1.70 -1.26 -0.21 118.95 121.09 1q81 s ARG 94 Ca 0.05 -2.17 -0.19 0.00 -0.47 0.00 0.00 55.73 52.95 1q81 s ARG 94 Cb -0.06 -1.85 0.06 0.00 -0.57 0.00 0.00 34.95 32.53 1q81 s ARG 94 CO -0.00 -0.47 0.56 -2.00 -1.08 0.00 0.00 175.30 172.30 1q81 s GLU 95 N -4.08 0.64 -1.11 3.89 2.12 -1.08 -4.81 118.70 114.26 1q81 s GLU 95 Ca 0.22 0.80 -0.13 0.00 0.36 0.00 0.00 54.97 56.22 1q81 s GLU 95 Cb -0.00 0.29 0.19 0.00 0.26 0.00 0.00 34.13 34.87 1q81 s GLU 95 CO 0.13 -0.09 1.25 1.21 -0.54 0.00 0.00 175.26 177.23 1q81 s ASN 96 N 0.42 7.04 -0.98 -1.70 2.47 -1.26 -0.77 114.94 120.16 1q81 s ASN 96 Ca -0.01 -2.97 -0.01 0.00 0.42 0.00 0.00 52.86 50.29 1q81 s ASN 96 Cb -0.04 -2.34 0.31 0.00 -1.45 0.00 0.00 41.25 37.73 1q81 s ASN 96 CO -0.01 -0.67 1.55 2.29 -3.72 0.00 0.00 177.10 176.54 1q81 n LYS 97 N 4.93 4.69 0.00 0.43 2.85 -1.26 -5.03 118.16 124.77 1q81 n LYS 97 Ca 0.30 -4.65 0.00 0.00 -1.05 0.00 0.00 58.31 52.91 1q81 n LYS 97 Cb 0.43 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.36 1q81 n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1q81 n ASP 109 N 0.49 -0.95 0.00 -5.58 -0.08 -1.26 -5.03 116.55 104.14 1q81 n ASP 109 Ca 0.37 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1q81 n ASP 109 Cb 0.31 0.78 0.00 0.00 2.34 0.00 0.00 41.12 44.55 1q81 n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q81 n GLY 110 N -0.20 -0.51 0.55 0.27 0.00 -1.26 -4.91 105.19 99.13 1q81 n GLY 110 Ca 0.00 0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1q81 n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1q81 n MET 111 N -0.16 1.03 -2.44 1.61 2.81 -1.26 -4.81 117.12 113.89 1q81 n MET 111 Ca 0.00 -1.29 -0.40 0.00 -1.81 0.00 0.00 57.70 54.19 1q81 n MET 111 Cb 0.00 -1.26 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 1q81 n MET 111 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1q81 s ARG 112 N -1.21 4.58 -0.77 0.03 3.52 -1.26 -3.59 118.95 120.25 1q81 s ARG 112 Ca 0.16 1.82 -0.17 0.00 -0.13 0.00 0.00 55.73 57.41 1q81 s ARG 112 Cb 0.12 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.40 1q81 s ARG 112 CO 0.19 0.15 0.46 0.00 -0.81 0.00 0.00 175.30 175.29 1q81 n ALA 113 N 1.06 -2.18 1.38 6.12 0.00 -1.26 -4.85 120.51 120.78 1q81 n ALA 113 Ca -0.01 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.22 1q81 n ALA 113 Cb 0.45 -1.37 0.47 0.00 0.00 0.00 0.00 19.45 19.00 1q81 n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q81 n PRO 114 N -3.27 1.14 -1.66 0.00 -0.04 -1.24 -4.89 135.00 125.05 1q81 n PRO 114 Ca -0.13 -0.63 -0.48 0.00 -0.04 0.00 0.00 63.50 62.22 1q81 n PRO 114 Cb 0.42 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 1q81 n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1q81 n PHE 115 N -0.37 2.26 -0.88 0.54 7.35 -1.26 -4.55 117.46 120.55 1q81 n PHE 115 Ca 0.15 -0.02 -0.31 0.00 -0.76 0.00 0.00 57.45 56.52 1q81 n PHE 115 Cb 0.34 -2.67 0.26 0.00 0.35 0.00 0.00 39.48 37.76 1q81 n PHE 115 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1q81 s GLY 116 N 4.68 1.54 -0.10 7.13 0.00 -1.26 -4.89 107.32 114.41 1q81 s GLY 116 Ca 0.95 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 1q81 s GLY 116 CO 0.50 -0.05 -0.04 -1.59 0.00 0.00 0.00 173.10 171.92 1q81 s LYS 117 N -5.41 3.12 -0.09 2.90 -2.85 0.05 -4.65 119.74 112.82 1q81 s LYS 117 Ca 0.71 -0.50 -0.39 0.00 -1.00 0.00 0.00 55.97 54.79 1q81 s LYS 117 Cb -0.09 -2.75 -0.17 0.00 -2.06 0.00 0.00 37.83 32.76 1q81 s LYS 117 CO 0.56 0.53 1.46 -2.30 0.10 0.00 0.00 175.35 175.71 1q81 n PRO 118 N 2.64 0.92 0.00 1.78 -0.02 -1.26 -2.63 135.00 136.43 1q81 n PRO 118 Ca -0.18 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1q81 n PRO 118 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1q81 n PRO 118 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1q81 n VAL 119 N 3.21 0.00 -3.94 -1.45 0.24 0.71 -4.82 118.33 112.26 1q81 n VAL 119 Ca 0.22 -0.11 0.01 0.00 -2.04 0.00 0.00 64.34 62.42 1q81 n VAL 119 Cb 0.14 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1q81 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q81 n GLY 120 N 1.78 0.43 3.18 7.63 0.00 -0.97 -4.78 105.19 112.47 1q81 n GLY 120 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 1q81 n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q81 s THR 121 N -2.06 1.06 -0.01 2.61 -4.23 -1.26 0.61 115.64 112.35 1q81 s THR 121 Ca 0.08 -1.52 -0.07 0.00 -1.18 0.00 0.00 61.69 58.99 1q81 s THR 121 Cb -0.00 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1q81 s THR 121 CO -0.00 -0.42 0.14 0.00 -0.54 0.00 0.00 174.62 173.80 1q81 s ALA 122 N -1.96 -0.34 -0.13 3.99 0.00 0.14 -2.04 121.76 121.43 1q81 s ALA 122 Ca 0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 1q81 s ALA 122 Cb -0.06 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1q81 s ALA 122 CO 0.01 -0.18 0.21 0.00 0.00 0.00 0.00 175.76 175.81 1q81 s ALA 123 N -1.09 3.74 -0.38 0.00 0.00 0.10 -1.58 121.76 122.55 1q81 s ALA 123 Ca -0.12 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 1q81 s ALA 123 Cb -0.06 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.88 1q81 s ALA 123 CO 0.01 0.36 0.66 1.03 0.00 0.00 0.00 175.76 177.82 1q81 s ARG 124 N -0.33 3.59 -0.14 0.00 0.52 -1.26 -0.48 118.95 120.84 1q81 s ARG 124 Ca 0.15 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.31 1q81 s ARG 124 Cb -0.13 -3.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.47 1q81 s ARG 124 CO 0.04 -0.82 -0.05 0.08 0.02 0.00 0.00 175.30 174.56 1q81 s VAL 125 N 2.79 3.75 0.30 3.52 1.01 -0.47 -4.98 120.40 126.32 1q81 s VAL 125 Ca 0.25 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1q81 s VAL 125 Cb -0.14 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 1q81 s VAL 125 CO 0.16 0.51 0.63 -1.00 0.00 0.00 0.00 175.10 175.40 1q81 s HIS 126 N 0.22 3.44 0.16 5.22 3.76 -1.26 -0.81 115.29 126.01 1q81 s HIS 126 Ca -0.03 0.91 -0.32 0.00 -0.15 0.00 0.00 55.06 55.46 1q81 s HIS 126 Cb -0.14 -2.31 -0.12 0.00 1.11 0.00 0.00 32.58 31.12 1q81 s HIS 126 CO 0.03 0.13 1.73 0.41 -0.85 0.00 0.00 174.74 176.20 1q81 n GLY 127 N -0.62 1.47 0.61 -2.22 0.00 -1.26 -2.23 105.19 100.94 1q81 n GLY 127 Ca 0.01 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1q81 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 n ALA 128 N 4.42 0.00 -1.83 4.61 0.00 0.40 -4.85 120.51 123.26 1q81 n ALA 128 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 1q81 n ALA 128 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 1q81 n ALA 128 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1q81 s ASN 129 N -2.75 6.47 -0.28 0.00 0.02 -0.95 -4.78 114.94 112.67 1q81 s ASN 129 Ca 0.00 1.55 -0.10 0.00 -1.02 0.00 0.00 52.86 53.29 1q81 s ASN 129 Cb 0.00 -2.50 -0.04 0.00 0.02 0.00 0.00 41.25 38.73 1q81 s ASN 129 CO 0.00 -0.70 0.16 -1.38 0.02 0.00 0.00 177.10 175.20 1q81 s HIS 130 N -2.74 3.18 0.06 2.20 -3.43 -1.26 -1.65 115.29 111.64 1q81 s HIS 130 Ca 0.58 -0.15 -0.06 0.00 -0.80 0.00 0.00 55.06 54.63 1q81 s HIS 130 Cb -0.11 -2.35 -0.29 0.00 -1.43 0.00 0.00 32.58 28.40 1q81 s HIS 130 CO 0.37 -0.27 1.08 0.97 -2.00 0.00 0.00 174.74 174.89 1q81 h ILE 131 N 5.47 1.42 -4.22 -5.38 2.10 -1.70 -3.44 117.51 111.76 1q81 h ILE 131 Ca -0.35 -2.98 -0.59 0.00 1.08 0.00 0.00 64.86 62.02 1q81 h ILE 131 Cb 1.18 2.94 -0.26 0.00 -1.09 0.00 0.00 36.82 39.58 1q81 h ILE 131 CO 0.58 0.87 -0.84 -0.36 -1.08 0.00 0.00 178.15 177.31 1q81 s PHE 132 N -2.64 1.84 -0.03 2.19 0.40 -1.22 -2.05 117.98 116.46 1q81 s PHE 132 Ca -0.05 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1q81 s PHE 132 Cb 0.07 -1.11 0.03 0.00 0.51 0.00 0.00 43.02 42.51 1q81 s PHE 132 CO 0.89 0.07 0.01 0.42 0.70 0.00 0.00 175.22 177.31 1q81 s ILE 133 N -0.75 0.15 0.08 0.64 -1.09 0.12 -0.54 121.20 119.81 1q81 s ILE 133 Ca 0.08 0.13 0.08 0.00 -2.23 0.00 0.00 60.65 58.71 1q81 s ILE 133 Cb -0.09 -0.27 -0.03 0.00 -1.58 0.00 0.00 42.46 40.49 1q81 s ILE 133 CO 0.01 0.15 -0.21 0.00 -1.23 0.00 0.00 174.94 173.66 1q81 s ALA 134 N 1.22 1.84 -0.11 9.38 0.00 -0.80 0.76 121.76 134.04 1q81 s ALA 134 Ca -0.07 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1q81 s ALA 134 Cb -0.13 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1q81 s ALA 134 CO -0.02 0.39 -0.22 -1.58 0.00 0.00 0.00 175.76 174.33 1q81 s TRP 135 N -1.01 2.50 0.01 0.00 0.51 0.11 -2.42 118.94 118.64 1q81 s TRP 135 Ca 0.07 -1.13 -0.13 0.00 -2.12 0.00 0.00 56.10 52.80 1q81 s TRP 135 Cb -0.10 -1.69 0.02 0.00 -0.81 0.00 0.00 33.47 30.89 1q81 s TRP 135 CO 0.03 -0.49 0.28 0.54 -0.51 0.00 0.00 176.95 176.80 1q81 s VAL 136 N 0.59 0.07 0.74 4.03 0.11 0.81 -2.31 120.40 124.44 1q81 s VAL 136 Ca -0.13 -0.61 -0.10 0.00 -2.93 0.00 0.00 61.98 58.20 1q81 s VAL 136 Cb -0.17 -0.74 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1q81 s VAL 136 CO 0.04 -0.34 1.10 0.20 -3.33 0.00 0.00 175.10 172.77 1q81 s ASN 137 N -1.67 4.97 -0.29 3.54 0.01 -1.26 -0.57 114.94 119.68 1q81 s ASN 137 Ca -0.10 0.85 -0.15 0.00 -0.71 0.00 0.00 52.86 52.75 1q81 s ASN 137 Cb -0.03 -1.51 -0.16 0.00 0.41 0.00 0.00 41.25 39.95 1q81 s ASN 137 CO 0.01 -1.59 1.33 -2.65 -1.51 0.00 0.00 177.10 172.69 1q81 n PRO 138 N -3.09 0.02 -2.73 -0.60 -0.02 -1.26 -4.15 135.00 123.18 1q81 n PRO 138 Ca 0.07 -0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 60.75 1q81 n PRO 138 Cb 0.59 -2.17 0.08 0.00 -0.02 0.00 0.00 33.50 31.98 1q81 n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1q81 n ASP 139 N 9.59 -0.97 -4.58 2.55 2.03 -1.26 -5.08 116.55 118.83 1q81 n ASP 139 Ca 0.23 -2.75 -0.24 0.00 0.52 0.00 0.00 54.79 52.55 1q81 n ASP 139 Cb 0.41 0.67 -0.07 0.00 -0.72 0.00 0.00 41.12 41.41 1q81 n ASP 139 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1q81 s PRO 140 N -0.78 2.12 0.02 -0.67 0.02 -1.26 -4.28 135.00 130.18 1q81 s PRO 140 Ca 0.24 -0.81 0.22 0.00 0.02 0.00 0.00 61.00 60.68 1q81 s PRO 140 Cb 0.39 -5.14 -0.24 0.00 0.02 0.00 0.00 34.50 29.54 1q81 s PRO 140 CO -0.05 -4.33 0.66 0.09 -0.33 0.00 0.00 177.00 173.04 1q81 n ASN 141 N 15.90 0.28 -0.36 2.53 3.02 -1.26 -4.01 115.26 131.36 1q81 n ASN 141 Ca 0.43 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1q81 n ASN 141 Cb 0.46 1.54 0.14 0.00 -0.61 0.00 0.00 39.78 41.31 1q81 n ASN 141 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1q81 h VAL 142 N 0.00 1.15 -0.14 2.41 3.04 -1.99 0.05 116.25 120.76 1q81 h VAL 142 Ca 0.00 -0.42 0.04 0.00 -1.01 0.00 0.00 66.70 65.31 1q81 h VAL 142 Cb 0.94 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 1q81 h VAL 142 CO 0.00 0.22 0.21 -0.33 -1.01 0.00 0.00 177.57 176.66 1q81 h GLU 143 N 1.22 0.00 0.00 4.17 5.08 -1.93 0.26 114.58 123.38 1q81 h GLU 143 Ca 0.39 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.50 1q81 h GLU 143 Cb 0.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1q81 h GLU 143 CO -0.13 0.00 -1.63 -1.91 -1.00 0.00 0.00 179.01 174.34 1q81 n GLU 144 N -3.55 0.63 0.26 2.33 4.07 -0.06 -3.45 120.64 120.87 1q81 n GLU 144 Ca 0.01 0.27 0.17 0.00 -0.06 0.00 0.00 57.16 57.55 1q81 n GLU 144 Cb 0.32 -1.79 0.77 0.00 -0.06 0.00 0.00 31.44 30.67 1q81 n GLU 144 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1q81 h ALA 145 N 1.12 1.00 0.00 4.31 0.00 0.19 -2.66 119.26 123.22 1q81 h ALA 145 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1q81 h ALA 145 Cb 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1q81 h ALA 145 CO 0.07 0.00 -1.55 0.91 0.00 0.00 0.00 179.25 178.67 1q81 n TRP 146 N -2.92 0.17 0.33 0.00 8.01 -0.80 -2.79 117.44 119.44 1q81 n TRP 146 Ca -0.00 0.05 0.14 0.00 -1.31 0.00 0.00 57.50 56.38 1q81 n TRP 146 Cb 0.23 -0.47 0.44 0.00 -2.01 0.00 0.00 31.31 29.50 1q81 n TRP 146 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 1q81 h ARG 147 N 0.00 0.00 0.00 -0.99 2.43 -1.50 -2.41 114.38 111.91 1q81 h ARG 147 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1q81 h ARG 147 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1q81 h ARG 147 CO 0.00 0.00 -1.38 0.54 -1.51 0.00 0.00 179.97 177.62 1q81 n ARG 148 N -2.85 0.58 -0.09 0.20 1.74 -1.17 -4.14 116.66 110.93 1q81 n ARG 148 Ca 0.03 -0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 1q81 n ARG 148 Cb 0.39 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 30.04 1q81 n ARG 148 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q81 h ALA 149 N 2.08 0.12 0.00 7.54 0.00 -1.29 -3.30 119.26 124.41 1q81 h ALA 149 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1q81 h ALA 149 Cb 0.96 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1q81 h ALA 149 CO 0.00 0.33 0.00 0.36 0.00 0.00 0.00 179.25 179.94 1q81 n LYS 150 N -4.53 0.72 0.09 0.00 0.00 -0.94 -1.12 118.16 112.38 1q81 n LYS 150 Ca -0.20 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.22 1q81 n LYS 150 Cb 0.55 -1.08 -0.02 0.00 -0.00 0.00 0.00 35.03 34.49 1q81 n LYS 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1q81 n MET 151 N -0.37 0.61 -0.11 -1.58 1.56 -1.24 -4.07 117.12 111.93 1q81 n MET 151 Ca 0.00 0.10 0.05 0.00 -0.27 0.00 0.00 57.70 57.58 1q81 n MET 151 Cb 0.04 -1.80 0.10 0.00 2.15 0.00 0.00 33.22 33.71 1q81 n MET 151 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1q81 n LYS 152 N -2.66 2.51 -4.54 2.12 5.02 -0.27 -5.00 118.16 115.33 1q81 n LYS 152 Ca -0.01 -2.07 -0.29 0.00 -2.02 0.00 0.00 58.31 53.91 1q81 n LYS 152 Cb 0.57 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 34.15 1q81 n LYS 152 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1q81 s VAL 153 N -1.74 2.29 0.10 -0.18 -7.23 -1.23 -4.72 120.40 107.69 1q81 s VAL 153 Ca 0.19 -1.62 -0.25 0.00 -1.81 0.00 0.00 61.98 58.49 1q81 s VAL 153 Cb 0.14 -1.98 -0.08 0.00 0.56 0.00 0.00 36.38 35.02 1q81 s VAL 153 CO 0.05 0.18 1.41 0.74 -0.31 0.00 0.00 175.10 177.17 1q81 h THR 154 N 3.95 0.00 -4.08 5.32 2.02 -1.91 -3.45 112.91 114.77 1q81 h THR 154 Ca -0.50 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.19 1q81 h THR 154 Cb 1.16 0.00 0.18 0.00 -1.74 0.00 0.00 68.15 67.75 1q81 h THR 154 CO 0.41 0.00 0.21 -2.16 0.37 0.00 0.00 175.52 174.35 1q81 s PRO 155 N -4.98 0.98 0.38 6.66 0.04 -1.26 -5.03 135.00 131.78 1q81 s PRO 155 Ca -0.11 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 1q81 s PRO 155 Cb 0.06 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 1q81 s PRO 155 CO 0.46 -2.56 0.81 0.99 0.04 0.00 0.00 177.00 176.74 1q81 s THR 156 N -2.72 4.63 0.08 1.26 2.01 -1.26 -4.94 115.64 114.71 1q81 s THR 156 Ca 0.65 1.02 0.01 0.00 0.31 0.00 0.00 61.69 63.68 1q81 s THR 156 Cb -0.21 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1q81 s THR 156 CO 0.58 -0.33 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.50 1q81 s ILE 157 N -2.16 0.57 -0.19 1.82 1.01 -1.26 -2.12 121.20 118.87 1q81 s ILE 157 Ca 0.56 -1.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.30 1q81 s ILE 157 Cb -0.10 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1q81 s ILE 157 CO 0.21 -0.89 -0.06 0.21 0.00 0.00 0.00 174.94 174.41 1q81 s ASN 158 N -2.96 4.33 -0.51 3.58 3.84 0.10 -4.96 114.94 118.36 1q81 s ASN 158 Ca 0.10 -0.33 -0.20 0.00 0.21 0.00 0.00 52.86 52.64 1q81 s ASN 158 Cb 0.05 -1.72 0.05 0.00 -0.55 0.00 0.00 41.25 39.09 1q81 s ASN 158 CO -0.06 0.05 0.67 -0.63 -2.79 0.00 0.00 177.10 174.34 1q81 s ILE 159 N 1.07 4.80 -0.13 -5.21 1.01 -1.26 0.82 121.20 122.30 1q81 s ILE 159 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1q81 s ILE 159 Cb -0.15 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 1q81 s ILE 159 CO -0.00 -0.84 0.02 -0.62 0.00 0.00 0.00 174.94 173.50 1q81 s ASP 160 N 2.68 5.35 -0.18 3.58 -1.08 0.17 -4.92 116.67 122.28 1q81 s ASP 160 Ca 0.18 0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 52.26 1q81 s ASP 160 Cb -0.18 -1.71 -0.03 0.00 -1.46 0.00 0.00 42.92 39.54 1q81 s ASP 160 CO 0.13 0.29 0.00 -0.55 0.52 0.00 0.00 175.17 175.56 1q81 s SER 161 N -0.33 5.04 0.00 -0.34 0.15 -1.26 0.26 113.70 117.23 1q81 s SER 161 Ca 0.07 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1q81 s SER 161 Cb -0.12 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1q81 s SER 161 CO 0.02 0.13 0.00 -1.20 1.20 0.00 0.00 173.24 173.39 1q81 n SER 162 N 3.79 0.00 -4.55 5.45 7.64 0.23 -4.82 113.62 121.36 1q81 n SER 162 Ca -0.17 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.33 1q81 n SER 162 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1q81 n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1q81 s PRO 163 N 0.28 2.73 0.00 1.43 0.02 -1.25 -4.73 135.00 133.48 1q81 s PRO 163 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 61.00 61.37 1q81 s PRO 163 Cb 0.00 -4.43 0.00 0.00 0.02 0.00 0.00 34.50 30.09 1q81 s PRO 163 CO 0.00 -2.68 0.00 0.00 -0.33 0.00 0.00 177.00 173.99 1q81 n ALA 164 N 12.22 0.00 -1.23 -1.55 0.00 -1.26 -2.91 120.51 125.77 1q81 n ALA 164 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.64 1q81 n ALA 164 Cb 0.51 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.18 1q81 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 165 N 0.00 4.50 2.76 0.00 0.00 -1.26 -4.69 105.19 106.50 1q81 n GLY 165 Ca 0.00 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1q81 n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q81 n ASN 166 N -0.86 6.96 -0.82 1.61 5.03 -1.26 -5.28 115.26 120.63 1q81 n ASN 166 Ca 0.29 -3.48 0.13 0.00 0.87 0.00 0.00 54.58 52.39 1q81 n ASN 166 Cb 0.99 -1.26 0.22 0.00 -1.02 0.00 0.00 39.78 38.71 1q81 n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43