#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s PRO 2 N 0.00 3.33 0.44 1.97 0.02 -1.26 -4.95 135.00 134.55 1q82 s PRO 2 Ca 0.00 1.31 0.23 0.00 0.02 0.00 0.00 61.00 62.56 1q82 s PRO 2 Cb 0.00 -2.03 0.99 0.00 0.02 0.00 0.00 34.50 33.48 1q82 s PRO 2 CO 0.00 -0.81 1.86 0.78 -0.33 0.00 0.00 177.00 178.50 1q82 h GLY 3 N 0.67 0.00 0.16 0.52 0.00 -2.01 -2.71 103.07 99.70 1q82 h GLY 3 Ca -0.48 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.10 1q82 h GLY 3 CO 0.57 0.00 0.64 0.00 0.00 0.00 0.00 176.54 177.75 1q82 h ALA 4 N 1.76 2.56 0.00 3.60 0.00 -2.00 0.16 119.26 125.34 1q82 h ALA 4 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1q82 h ALA 4 Cb 0.68 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1q82 h ALA 4 CO 0.03 -0.85 -0.28 0.52 0.00 0.00 0.00 179.25 178.67 1q82 h MET 5 N 0.19 0.00 0.00 0.00 2.86 -1.88 -3.38 114.93 112.73 1q82 h MET 5 Ca 0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1q82 h MET 5 Cb 1.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.19 1q82 h MET 5 CO -0.11 0.28 0.00 0.66 1.06 0.00 0.00 176.91 178.80 1q82 n TYR 6 N -3.34 0.00 0.68 -0.22 4.02 -0.13 -4.85 117.16 113.32 1q82 n TYR 6 Ca 0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.97 1q82 n TYR 6 Cb 0.51 0.00 0.36 0.00 -0.02 0.00 0.00 39.34 40.19 1q82 n TYR 6 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1q82 n ARG 7 N -0.00 0.22 -4.04 -0.72 1.85 -0.20 -4.54 116.66 109.22 1q82 n ARG 7 Ca 0.00 0.14 -0.32 0.00 -1.00 0.00 0.00 57.85 56.67 1q82 n ARG 7 Cb 0.13 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.98 1q82 n ARG 7 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1q82 s ASN 8 N -2.52 5.78 -0.56 2.89 0.02 -1.26 -2.27 114.94 117.02 1q82 s ASN 8 Ca 0.14 0.13 -0.02 0.00 -1.02 0.00 0.00 52.86 52.08 1q82 s ASN 8 Cb 0.09 -1.66 0.26 0.00 0.02 0.00 0.00 41.25 39.96 1q82 s ASN 8 CO 0.21 0.22 2.24 -1.20 0.02 0.00 0.00 177.10 178.59 1q82 n SER 9 N 0.79 7.02 0.14 -1.22 7.64 -1.26 -4.55 113.62 122.18 1q82 n SER 9 Ca -0.10 -3.46 0.09 0.00 1.01 0.00 0.00 58.87 56.41 1q82 n SER 9 Cb 0.52 -1.09 0.05 0.00 -1.01 0.00 0.00 64.21 62.68 1q82 n SER 9 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1q82 h SER 10 N 2.38 0.00 -4.01 6.43 4.64 -1.96 -3.47 113.55 117.57 1q82 h SER 10 Ca 0.46 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.29 1q82 h SER 10 Cb 0.63 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.78 1q82 h SER 10 CO 1.15 0.16 0.28 -0.54 -0.87 0.00 0.00 176.83 177.01 1q82 s LYS 11 N -3.19 3.10 0.76 4.77 1.02 -1.26 -5.06 119.74 119.88 1q82 s LYS 11 Ca 0.02 0.28 -0.11 0.00 0.02 0.00 0.00 55.97 56.18 1q82 s LYS 11 Cb 0.08 -2.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1q82 s LYS 11 CO 0.75 -0.71 1.10 -2.14 -0.92 0.00 0.00 175.35 173.42 1q82 s PRO 12 N -5.10 2.27 0.10 -1.68 0.02 -1.26 -4.93 135.00 124.42 1q82 s PRO 12 Ca 0.54 1.24 -0.31 0.00 0.02 0.00 0.00 61.00 62.49 1q82 s PRO 12 Cb -0.11 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.44 1q82 s PRO 12 CO 0.48 -1.64 1.38 0.00 -0.33 0.00 0.00 177.00 176.89 1q82 s ALA 13 N -2.78 3.57 -0.29 -1.55 0.00 -1.26 -4.97 121.76 114.48 1q82 s ALA 13 Ca 0.63 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1q82 s ALA 13 Cb -0.18 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.49 1q82 s ALA 13 CO 0.53 -0.63 0.04 -0.47 0.00 0.00 0.00 175.76 175.23 1q82 s TYR 14 N 1.25 2.46 0.00 0.00 5.04 -1.26 -4.90 117.35 119.94 1q82 s TYR 14 Ca 0.64 -2.06 0.00 0.00 -2.44 0.00 0.00 57.07 53.21 1q82 s TYR 14 Cb -0.36 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 39.97 1q82 s TYR 14 CO 0.30 -0.85 0.00 0.25 -1.34 0.00 0.00 175.55 173.90 1q82 n THR 15 N 4.64 0.00 -1.87 4.34 -2.24 -1.26 -0.55 114.28 117.34 1q82 n THR 15 Ca -0.04 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 1q82 n THR 15 Cb 0.43 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 1q82 n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1q82 s ARG 16 N 0.00 2.35 0.41 -0.78 1.81 -1.26 -4.79 118.95 116.69 1q82 s ARG 16 Ca 0.00 0.56 0.28 0.00 -1.72 0.00 0.00 55.73 54.86 1q82 s ARG 16 Cb 0.00 -4.64 1.44 0.00 -0.45 0.00 0.00 34.95 31.30 1q82 s ARG 16 CO 0.00 -3.23 1.86 0.00 -0.68 0.00 0.00 175.30 173.25 1q82 h ARG 17 N 14.87 0.00 0.00 3.54 3.08 -1.97 0.47 114.38 134.37 1q82 h ARG 17 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1q82 h ARG 17 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1q82 h ARG 17 CO 1.18 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 179.23 1q82 n GLU 18 N -2.52 0.17 0.00 0.04 0.00 -1.26 -3.11 120.64 113.96 1q82 n GLU 18 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.44 1q82 n GLU 18 Cb 0.10 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 29.78 1q82 n GLU 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1q82 n TYR 19 N -2.08 0.00 -4.23 -1.84 4.02 0.11 -5.00 117.16 108.14 1q82 n TYR 19 Ca 0.04 -0.28 -0.22 0.00 -0.01 0.00 0.00 57.90 57.43 1q82 n TYR 19 Cb 0.30 -0.03 -0.16 0.00 -0.02 0.00 0.00 39.34 39.42 1q82 n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1q82 s ILE 20 N -0.56 0.70 0.31 -0.72 1.01 -0.93 -5.06 121.20 115.95 1q82 s ILE 20 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1q82 s ILE 20 Cb 0.00 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.71 1q82 s ILE 20 CO 0.00 0.27 -0.05 -0.94 0.00 0.00 0.00 174.94 174.22 1q82 s SER 21 N 0.95 3.05 -0.79 3.58 1.04 -1.26 -4.65 113.70 115.62 1q82 s SER 21 Ca -0.10 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.07 1q82 s SER 21 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1q82 s SER 21 CO 0.00 -0.34 0.49 0.61 0.98 0.00 0.00 173.24 174.98 1q82 n GLY 22 N -0.67 0.09 3.68 7.32 0.00 -1.26 -4.80 105.19 109.54 1q82 n GLY 22 Ca -0.05 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1q82 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q82 s ILE 23 N -3.03 5.03 0.49 -0.61 1.01 -1.26 -4.74 121.20 118.09 1q82 s ILE 23 Ca 0.24 1.27 -0.24 0.00 0.00 0.00 0.00 60.65 61.93 1q82 s ILE 23 Cb -0.11 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.32 1q82 s ILE 23 CO 0.30 0.15 1.36 -2.65 0.00 0.00 0.00 174.94 174.11 1q82 n PRO 24 N 4.65 1.94 -1.35 2.79 -0.02 -1.26 -4.98 135.00 136.78 1q82 n PRO 24 Ca -0.01 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 1q82 n PRO 24 Cb 0.50 -2.56 0.09 0.00 -0.02 0.00 0.00 33.50 31.51 1q82 n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1q82 s GLY 25 N -0.68 1.86 0.38 -1.23 0.00 -1.26 -4.83 107.32 101.56 1q82 s GLY 25 Ca 0.66 0.42 -0.23 0.00 0.00 0.00 0.00 44.72 45.57 1q82 s GLY 25 CO 0.54 0.78 0.95 1.25 0.00 0.00 0.00 173.10 176.63 1q82 s LYS 26 N -4.58 4.38 0.00 2.90 2.20 -1.26 -4.96 119.74 118.43 1q82 s LYS 26 Ca 0.64 1.23 0.26 0.00 -0.36 0.00 0.00 55.97 57.74 1q82 s LYS 26 Cb -0.20 -2.47 0.74 0.00 -1.51 0.00 0.00 37.83 34.40 1q82 s LYS 26 CO 0.51 0.10 1.56 1.63 -0.36 0.00 0.00 175.35 178.80 1q82 n LYS 27 N -0.08 0.56 -2.29 4.03 5.02 -1.26 -4.84 118.16 119.30 1q82 n LYS 27 Ca 0.05 -0.31 -0.43 0.00 -2.02 0.00 0.00 58.31 55.59 1q82 n LYS 27 Cb 0.52 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1q82 n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1q82 s ILE 28 N -2.65 3.81 0.04 -0.18 1.01 -1.26 -4.79 121.20 117.18 1q82 s ILE 28 Ca 0.21 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 1q82 s ILE 28 Cb 0.19 -4.12 -0.17 0.00 0.01 0.00 0.00 42.46 38.37 1q82 s ILE 28 CO 0.57 -0.73 1.49 0.00 0.00 0.00 0.00 174.94 176.26 1q82 h ALA 29 N 11.18 -0.22 -2.49 9.38 0.00 -1.94 -3.47 119.26 131.71 1q82 h ALA 29 Ca -0.29 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1q82 h ALA 29 Cb 1.12 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1q82 h ALA 29 CO 1.08 -0.52 -0.46 -0.65 0.00 0.00 0.00 179.25 178.70 1q82 s GLN 30 N -5.33 0.93 -0.05 0.00 -0.21 -1.26 -5.04 119.66 108.70 1q82 s GLN 30 Ca -0.15 -1.17 0.06 0.00 0.02 0.00 0.00 55.36 54.12 1q82 s GLN 30 Cb 0.04 0.31 -0.08 0.00 1.00 0.00 0.00 33.01 34.28 1q82 s GLN 30 CO 0.63 -0.29 0.04 1.19 -2.12 0.00 0.00 175.29 174.74 1q82 n PHE 31 N -0.09 0.00 -4.06 0.91 3.01 -1.26 -4.93 117.46 111.04 1q82 n PHE 31 Ca -0.10 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.01 1q82 n PHE 31 Cb 0.63 -0.28 -0.13 0.00 -0.01 0.00 0.00 39.48 39.69 1q82 n PHE 31 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1q82 s ASP 32 N -3.59 4.68 0.34 4.37 1.01 -1.26 -2.54 116.67 119.68 1q82 s ASP 32 Ca -0.03 -0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.03 1q82 s ASP 32 Cb 0.02 -1.80 -0.07 0.00 1.01 0.00 0.00 42.92 42.09 1q82 s ASP 32 CO 0.26 0.05 0.02 -0.04 0.21 0.00 0.00 175.17 175.66 1q82 s MET 33 N 1.11 1.71 4.18 8.23 -1.94 -0.25 -4.96 119.30 127.37 1q82 s MET 33 Ca 0.02 -1.94 0.00 0.00 -1.71 0.00 0.00 55.69 52.06 1q82 s MET 33 Cb -0.14 -1.15 0.00 0.00 2.01 0.00 0.00 34.83 35.54 1q82 s MET 33 CO 0.01 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 1q82 n GLY 34 N -0.74 0.77 3.47 -0.03 0.00 -1.26 -1.93 105.19 105.47 1q82 n GLY 34 Ca -0.04 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1q82 n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q82 n ASN 35 N 2.03 5.01 0.00 1.61 3.02 0.19 -4.73 115.26 122.38 1q82 n ASN 35 Ca 0.00 -2.95 0.11 0.00 -0.03 0.00 0.00 54.58 51.72 1q82 n ASN 35 Cb 0.00 -1.67 0.57 0.00 -0.61 0.00 0.00 39.78 38.08 1q82 n ASN 35 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1q82 n ASN 36 N 7.06 0.00 0.09 6.41 0.23 -1.26 -2.46 115.26 125.33 1q82 n ASN 36 Ca 0.44 0.04 -0.07 0.00 -0.53 0.00 0.00 54.58 54.45 1q82 n ASN 36 Cb 0.44 -0.32 0.03 0.00 -2.08 0.00 0.00 39.78 37.85 1q82 n ASN 36 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1q82 h GLY 37 N 3.87 0.21 -2.70 4.83 0.00 -1.96 -3.45 103.07 103.88 1q82 h GLY 37 Ca 0.00 -0.34 -0.50 0.00 0.00 0.00 0.00 47.33 46.49 1q82 h GLY 37 CO 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 176.54 176.80 1q82 s ALA 38 N -3.34 3.53 0.24 3.60 0.00 -1.03 -5.11 121.76 119.65 1q82 s ALA 38 Ca -0.03 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1q82 s ALA 38 Cb 0.11 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1q82 s ALA 38 CO 0.82 0.02 0.35 0.20 0.00 0.00 0.00 175.76 177.15 1q82 s GLY 39 N -3.50 1.24 -0.02 0.00 0.00 -1.26 -4.95 107.32 98.82 1q82 s GLY 39 Ca 0.46 -1.25 -0.19 0.00 0.00 0.00 0.00 44.72 43.73 1q82 s GLY 39 CO 0.34 -1.27 1.19 -1.05 0.00 0.00 0.00 173.10 172.32 1q82 n PRO 40 N -1.40 0.00 -1.43 2.90 -0.02 -1.26 -4.55 135.00 129.23 1q82 n PRO 40 Ca -0.09 -0.64 -0.25 0.00 -2.02 0.00 0.00 63.50 60.51 1q82 n PRO 40 Cb 0.57 -1.96 0.09 0.00 -0.02 0.00 0.00 33.50 32.18 1q82 n PRO 40 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1q82 n THR 41 N 5.73 3.05 -4.05 3.45 -2.24 -1.26 -5.03 114.28 113.93 1q82 n THR 41 Ca 0.29 -3.20 -0.26 0.00 -2.27 0.00 0.00 64.05 58.62 1q82 n THR 41 Cb 0.36 -0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 67.62 1q82 n THR 41 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1q82 s TYR 42 N -3.60 3.23 0.00 4.78 1.51 -1.26 -5.05 117.35 116.96 1q82 s TYR 42 Ca 0.56 0.01 -0.25 0.00 -1.01 0.00 0.00 57.07 56.38 1q82 s TYR 42 Cb 0.46 -1.54 -0.18 0.00 -0.11 0.00 0.00 41.96 40.58 1q82 s TYR 42 CO 0.02 0.52 1.29 -1.35 -1.11 0.00 0.00 175.55 174.91 1q82 h PRO 43 N 2.30 -0.18 -5.78 -1.71 0.11 -1.90 -3.45 132.00 121.38 1q82 h PRO 43 Ca -0.48 0.01 -0.65 0.00 0.11 0.00 0.00 66.00 64.99 1q82 h PRO 43 Cb 1.20 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1q82 h PRO 43 CO 0.64 0.17 -0.50 0.00 -0.21 0.00 0.00 178.00 178.10 1q82 s ALA 44 N -4.70 3.89 -0.27 -0.75 0.00 -0.17 -4.33 121.76 115.43 1q82 s ALA 44 Ca -0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1q82 s ALA 44 Cb 0.02 -1.87 0.10 0.00 0.00 0.00 0.00 23.12 21.37 1q82 s ALA 44 CO 0.61 0.71 0.17 -1.14 0.00 0.00 0.00 175.76 176.10 1q82 s GLN 45 N -1.65 0.20 0.18 0.00 0.74 -1.12 -1.54 119.66 116.47 1q82 s GLN 45 Ca 0.23 -0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.33 1q82 s GLN 45 Cb -0.12 -1.14 -0.03 0.00 1.10 0.00 0.00 33.01 32.81 1q82 s GLN 45 CO 0.14 -0.96 0.30 0.08 -0.55 0.00 0.00 175.29 174.30 1q82 s VAL 46 N 2.18 5.23 0.01 1.34 1.01 -1.00 -0.19 120.40 128.98 1q82 s VAL 46 Ca 0.08 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1q82 s VAL 46 Cb -0.16 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1q82 s VAL 46 CO -0.31 -0.17 -0.02 -1.61 0.00 0.00 0.00 175.10 172.99 1q82 s GLU 47 N -3.47 0.22 -0.32 2.72 2.02 0.34 -1.43 118.70 118.79 1q82 s GLU 47 Ca 0.34 -0.42 -0.12 0.00 0.02 0.00 0.00 54.97 54.79 1q82 s GLU 47 Cb -0.10 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.18 1q82 s GLU 47 CO 0.28 -0.04 0.22 -1.17 0.02 0.00 0.00 175.26 174.58 1q82 s LEU 48 N -1.02 4.36 -0.29 1.80 2.96 0.47 -0.65 118.68 126.30 1q82 s LEU 48 Ca -0.11 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1q82 s LEU 48 Cb -0.07 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1q82 s LEU 48 CO -0.01 -0.18 0.08 -0.69 -1.32 0.00 0.00 176.35 174.23 1q82 s VAL 49 N 1.73 3.98 0.22 1.68 1.01 0.36 -0.75 120.40 128.63 1q82 s VAL 49 Ca 0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1q82 s VAL 49 Cb -0.17 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1q82 s VAL 49 CO 0.10 0.11 1.40 -0.69 0.00 0.00 0.00 175.10 176.03 1q82 s VAL 50 N 1.51 2.85 -2.18 2.92 1.01 -0.76 -0.79 120.40 124.95 1q82 s VAL 50 Ca 0.03 0.70 0.22 0.00 0.00 0.00 0.00 61.98 62.93 1q82 s VAL 50 Cb -0.17 -3.45 0.55 0.00 0.00 0.00 0.00 36.38 33.31 1q82 s VAL 50 CO 0.02 0.10 1.48 -0.62 0.00 0.00 0.00 175.10 176.09 1q82 n GLU 51 N 2.56 2.55 -3.70 2.72 1.02 -0.93 0.19 120.64 125.06 1q82 n GLU 51 Ca 0.07 -2.39 -0.14 0.00 -0.02 0.00 0.00 57.16 54.69 1q82 n GLU 51 Cb 0.41 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 1q82 n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1q82 s LYS 52 N -1.24 0.60 0.16 3.49 1.02 -1.26 -4.66 119.74 117.85 1q82 s LYS 52 Ca 0.44 0.60 -0.31 0.00 0.02 0.00 0.00 55.97 56.71 1q82 s LYS 52 Cb 0.24 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.74 1q82 s LYS 52 CO 0.32 -0.09 1.50 -2.14 -0.92 0.00 0.00 175.35 174.02 1q82 s PRO 53 N 0.08 4.25 0.30 -1.68 0.02 -1.26 -3.74 135.00 132.97 1q82 s PRO 53 Ca -0.01 2.27 -0.10 0.00 0.02 0.00 0.00 61.00 63.18 1q82 s PRO 53 Cb -0.03 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1q82 s PRO 53 CO 0.01 -0.53 0.53 0.14 -0.33 0.00 0.00 177.00 176.82 1q82 s VAL 54 N 0.96 0.00 -0.11 3.83 -7.23 0.30 -4.79 120.40 113.35 1q82 s VAL 54 Ca 0.67 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1q82 s VAL 54 Cb -0.42 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1q82 s VAL 54 CO 0.33 0.00 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.92 1q82 s GLN 55 N -3.43 3.22 -0.25 4.82 -0.21 -0.96 -1.57 119.66 121.27 1q82 s GLN 55 Ca 0.24 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 55.03 1q82 s GLN 55 Cb -0.01 -2.67 0.06 0.00 1.00 0.00 0.00 33.01 31.39 1q82 s GLN 55 CO 0.13 0.37 -0.08 0.42 -2.12 0.00 0.00 175.29 174.01 1q82 s ILE 56 N -0.04 1.86 0.42 1.08 1.01 -0.06 -4.45 121.20 121.03 1q82 s ILE 56 Ca -0.01 -1.45 -0.26 0.00 0.00 0.00 0.00 60.65 58.92 1q82 s ILE 56 Cb -0.14 -2.06 -0.10 0.00 0.01 0.00 0.00 42.46 40.18 1q82 s ILE 56 CO 0.03 -0.08 1.45 0.54 0.00 0.00 0.00 174.94 176.88 1q82 n ARG 57 N 4.54 2.40 0.15 2.79 1.74 -1.26 -0.56 116.66 126.46 1q82 n ARG 57 Ca -0.13 0.85 0.18 0.00 -0.77 0.00 0.00 57.85 57.98 1q82 n ARG 57 Cb 0.43 -2.63 0.66 0.00 -1.02 0.00 0.00 32.46 29.90 1q82 n ARG 57 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 1q82 h HIS 58 N 2.54 0.00 0.33 -1.55 2.07 -1.64 0.21 115.15 117.10 1q82 h HIS 58 Ca -0.51 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.00 1q82 h HIS 58 Cb 1.26 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.23 1q82 h HIS 58 CO 0.51 0.00 -0.32 -0.91 -3.07 0.00 0.00 177.93 174.14 1q82 h ASN 59 N 0.00 -0.88 -0.18 3.10 -0.26 -1.87 -1.68 115.58 113.81 1q82 h ASN 59 Ca 0.16 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 1q82 h ASN 59 Cb 1.28 0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 38.81 1q82 h ASN 59 CO -0.00 -0.43 0.09 0.00 -1.06 0.00 0.00 177.43 176.03 1q82 h ALA 60 N -1.22 1.76 0.28 -0.83 0.00 -0.92 -2.36 119.26 115.97 1q82 h ALA 60 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1q82 h ALA 60 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1q82 h ALA 60 CO -0.04 0.20 -0.13 -0.07 0.00 0.00 0.00 179.25 179.21 1q82 h LEU 61 N 0.30 -0.32 -1.00 0.00 -0.00 -1.01 -0.16 115.31 113.13 1q82 h LEU 61 Ca 0.08 -0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1q82 h LEU 61 Cb 0.06 0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 40.74 1q82 h LEU 61 CO -0.01 -0.13 0.66 -0.08 -0.00 0.00 0.00 178.44 178.88 1q82 h GLU 62 N -0.48 1.26 -0.17 1.13 4.57 -1.00 0.14 114.58 120.03 1q82 h GLU 62 Ca -0.04 -0.08 -0.20 0.00 -1.18 0.00 0.00 59.36 57.87 1q82 h GLU 62 Cb 0.36 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1q82 h GLU 62 CO 0.06 0.83 -0.70 0.00 -1.18 0.00 0.00 179.01 178.03 1q82 h ALA 63 N 1.39 0.46 0.02 2.92 0.00 -1.36 -0.92 119.26 121.77 1q82 h ALA 63 Ca 0.38 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1q82 h ALA 63 Cb -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1q82 h ALA 63 CO -0.11 0.70 -0.01 0.00 0.00 0.00 0.00 179.25 179.83 1q82 h ALA 64 N 0.72 -0.03 -0.02 0.00 0.00 -0.68 -1.53 119.26 117.72 1q82 h ALA 64 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1q82 h ALA 64 Cb 1.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1q82 h ALA 64 CO 0.14 -0.33 0.01 -0.09 0.00 0.00 0.00 179.25 178.97 1q82 h ARG 65 N -0.40 0.02 0.29 0.00 2.43 -0.76 -1.99 114.38 113.98 1q82 h ARG 65 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1q82 h ARG 65 Cb 0.38 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1q82 h ARG 65 CO 0.01 0.04 -0.38 0.28 -1.51 0.00 0.00 179.97 178.40 1q82 h VAL 66 N 0.00 0.22 -0.55 0.20 2.07 -1.20 0.70 116.25 117.69 1q82 h VAL 66 Ca 0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1q82 h VAL 66 Cb 0.02 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1q82 h VAL 66 CO -0.00 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.19 1q82 h ALA 67 N -0.27 2.29 0.00 1.67 0.00 -1.09 0.58 119.26 122.44 1q82 h ALA 67 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1q82 h ALA 67 Cb 0.68 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1q82 h ALA 67 CO -0.12 -0.88 -1.16 0.00 0.00 0.00 0.00 179.25 177.10 1q82 h ALA 68 N 1.31 0.24 -0.10 0.00 0.00 -0.43 -3.33 119.26 116.95 1q82 h ALA 68 Ca 0.26 -1.15 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 1q82 h ALA 68 Cb 1.46 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1q82 h ALA 68 CO -0.00 0.65 -0.25 -0.97 0.00 0.00 0.00 179.25 178.68 1q82 h ASN 69 N -1.00 0.39 -0.36 0.00 -0.00 -0.46 -0.76 115.58 113.39 1q82 h ASN 69 Ca -0.32 -0.58 0.11 0.00 -0.00 0.00 0.00 56.30 55.50 1q82 h ASN 69 Cb 1.26 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 39.45 1q82 h ASN 69 CO -0.19 0.91 0.42 -0.09 -0.00 0.00 0.00 177.43 178.47 1q82 h ARG 70 N -0.11 0.00 0.01 6.67 2.43 -0.03 0.54 114.38 123.89 1q82 h ARG 70 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1q82 h ARG 70 Cb 0.86 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1q82 h ARG 70 CO 0.05 0.00 -1.68 -0.92 -1.51 0.00 0.00 179.97 175.91 1q82 h TYR 71 N 0.00 0.03 0.00 2.20 3.20 -1.62 -3.30 116.97 117.47 1q82 h TYR 71 Ca 0.17 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1q82 h TYR 71 Cb 1.01 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1q82 h TYR 71 CO 0.00 1.04 0.00 1.55 -1.64 0.00 0.00 178.16 179.11 1q82 n VAL 72 N -3.09 0.00 -2.04 1.81 3.14 0.19 -2.51 118.33 115.83 1q82 n VAL 72 Ca -0.17 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.84 1q82 n VAL 72 Cb 1.05 -0.37 0.01 0.00 -1.06 0.00 0.00 33.84 33.46 1q82 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q82 n GLN 73 N -0.44 3.71 0.00 1.45 3.00 -1.20 -2.93 117.38 120.97 1q82 n GLN 73 Ca 0.00 -3.58 0.00 0.00 -0.01 0.00 0.00 57.00 53.41 1q82 n GLN 73 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 30.24 27.89 1q82 n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1q82 n ASN 74 N 0.24 0.68 0.00 1.08 5.15 -1.05 -4.41 115.26 116.96 1q82 n ASN 74 Ca 0.52 -0.87 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1q82 n ASN 74 Cb 0.31 0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1q82 n ASN 74 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1q82 n SER 75 N -0.22 0.40 0.00 1.20 7.64 -1.15 -5.13 113.62 116.36 1q82 n SER 75 Ca 0.00 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1q82 n SER 75 Cb 0.02 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1q82 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q82 n GLY 76 N 1.02 2.40 0.44 0.23 0.00 -1.26 -3.99 105.19 104.02 1q82 n GLY 76 Ca 0.00 -1.74 0.25 0.00 0.00 0.00 0.00 46.02 44.53 1q82 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 h ALA 77 N 0.00 2.52 -0.23 4.61 0.00 -1.93 0.05 119.26 124.29 1q82 h ALA 77 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1q82 h ALA 77 Cb 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.64 1q82 h ALA 77 CO 0.00 -0.83 -0.67 0.00 0.00 0.00 0.00 179.25 177.74 1q82 n ALA 78 N -2.60 3.86 -0.48 0.00 0.00 -1.26 -4.99 120.51 115.05 1q82 n ALA 78 Ca 0.21 -3.32 -0.29 0.00 0.00 0.00 0.00 53.44 50.04 1q82 n ALA 78 Cb 0.89 -0.41 0.24 0.00 0.00 0.00 0.00 19.45 20.17 1q82 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q82 n ALA 79 N -0.82 -3.61 -3.29 0.00 0.00 0.00 -4.94 120.51 107.86 1q82 n ALA 79 Ca 0.24 -1.37 -0.45 0.00 0.00 0.00 0.00 53.44 51.86 1q82 n ALA 79 Cb 0.82 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1q82 n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q82 s ASN 80 N -2.31 7.14 0.03 0.00 3.04 -1.26 -4.51 114.94 117.08 1q82 s ASN 80 Ca 0.63 -3.27 -0.27 0.00 0.04 0.00 0.00 52.86 49.98 1q82 s ASN 80 Cb -0.19 -2.23 0.09 0.00 -1.54 0.00 0.00 41.25 37.39 1q82 s ASN 80 CO 0.62 -0.42 0.83 -0.72 -3.04 0.00 0.00 177.10 174.37 1q82 s TYR 81 N -0.54 -0.38 -0.04 0.43 -0.85 -1.26 -4.56 117.35 110.16 1q82 s TYR 81 Ca 0.29 0.23 0.01 0.00 -0.52 0.00 0.00 57.07 57.08 1q82 s TYR 81 Cb -0.09 0.54 0.02 0.00 0.38 0.00 0.00 41.96 42.81 1q82 s TYR 81 CO -0.08 -0.61 -0.05 -1.59 -1.52 0.00 0.00 175.55 171.69 1q82 s LYS 82 N -3.26 0.81 -0.14 -3.49 -2.85 -0.90 -0.64 119.74 109.28 1q82 s LYS 82 Ca 0.04 -0.16 -0.01 0.00 -1.00 0.00 0.00 55.97 54.85 1q82 s LYS 82 Cb -0.01 -0.79 -0.02 0.00 -2.06 0.00 0.00 37.83 34.95 1q82 s LYS 82 CO -0.10 -0.02 -0.12 0.12 0.10 0.00 0.00 175.35 175.34 1q82 s PHE 83 N 0.63 2.84 -0.04 1.78 5.36 -0.81 -0.66 117.98 127.08 1q82 s PHE 83 Ca -0.09 -0.62 0.02 0.00 -0.96 0.00 0.00 56.93 55.29 1q82 s PHE 83 Cb -0.12 -1.87 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 1q82 s PHE 83 CO 0.00 -0.20 -0.08 1.03 -1.46 0.00 0.00 175.22 174.51 1q82 s ARG 84 N 0.39 1.10 -0.33 10.12 0.52 0.11 -1.09 118.95 129.77 1q82 s ARG 84 Ca -0.09 -0.25 -0.08 0.00 -0.52 0.00 0.00 55.73 54.79 1q82 s ARG 84 Cb -0.16 -1.00 0.03 0.00 0.52 0.00 0.00 34.95 34.34 1q82 s ARG 84 CO 0.05 0.01 0.12 -1.50 0.02 0.00 0.00 175.30 174.00 1q82 s ILE 85 N 0.61 4.06 -0.70 1.52 2.07 -1.05 -0.34 121.20 127.36 1q82 s ILE 85 Ca -0.10 -0.91 0.26 0.00 -1.41 0.00 0.00 60.65 58.49 1q82 s ILE 85 Cb -0.13 -3.22 0.21 0.00 0.13 0.00 0.00 42.46 39.45 1q82 s ILE 85 CO 0.01 -0.11 1.63 -2.11 -1.91 0.00 0.00 174.94 172.46 1q82 n ARG 86 N 4.88 0.27 -3.74 3.50 1.85 -0.87 -4.86 116.66 117.69 1q82 n ARG 86 Ca -0.13 0.18 -0.32 0.00 -1.00 0.00 0.00 57.85 56.58 1q82 n ARG 86 Cb 0.46 -1.77 -0.05 0.00 -1.05 0.00 0.00 32.46 30.05 1q82 n ARG 86 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1q82 s LYS 87 N -3.12 3.58 -0.03 2.89 -0.14 -1.26 -5.10 119.74 116.55 1q82 s LYS 87 Ca 0.09 -0.15 0.06 0.00 -1.36 0.00 0.00 55.97 54.61 1q82 s LYS 87 Cb 0.13 -2.94 -0.01 0.00 -1.68 0.00 0.00 37.83 33.33 1q82 s LYS 87 CO 0.64 0.53 -0.21 -0.06 -0.76 0.00 0.00 175.35 175.49 1q82 s PHE 88 N -1.55 1.92 -0.72 3.18 0.40 -1.26 -5.06 117.98 114.88 1q82 s PHE 88 Ca 0.37 -0.44 -0.26 0.00 -0.60 0.00 0.00 56.93 56.01 1q82 s PHE 88 Cb -0.13 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 1q82 s PHE 88 CO 0.24 -0.09 1.79 -1.25 0.70 0.00 0.00 175.22 176.61 1q82 s PRO 89 N -0.33 2.72 -0.22 0.24 0.04 -1.26 -4.50 135.00 131.70 1q82 s PRO 89 Ca 0.04 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.27 1q82 s PRO 89 Cb -0.10 -4.59 -0.20 0.00 0.04 0.00 0.00 34.50 29.66 1q82 s PRO 89 CO 0.00 -2.81 -0.06 1.19 0.04 0.00 0.00 177.00 175.37 1q82 n PHE 90 N 12.48 0.32 -1.85 0.56 3.01 -1.00 -4.55 117.46 126.43 1q82 n PHE 90 Ca 0.24 0.07 -0.43 0.00 1.01 0.00 0.00 57.45 58.35 1q82 n PHE 90 Cb 0.50 -1.04 -0.03 0.00 -0.01 0.00 0.00 39.48 38.90 1q82 n PHE 90 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1q82 s HIS 91 N -2.53 1.56 0.19 1.38 2.46 -0.68 -4.58 115.29 113.10 1q82 s HIS 91 Ca -0.30 0.63 -0.30 0.00 0.47 0.00 0.00 55.06 55.56 1q82 s HIS 91 Cb 0.08 -4.04 -0.08 0.00 -0.13 0.00 0.00 32.58 28.41 1q82 s HIS 91 CO 0.66 -3.31 1.18 0.08 -2.47 0.00 0.00 174.74 170.87 1q82 s VAL 92 N 7.59 3.59 -0.04 0.89 1.01 0.29 -1.01 120.40 132.72 1q82 s VAL 92 Ca 0.87 1.37 0.06 0.00 0.00 0.00 0.00 61.98 64.28 1q82 s VAL 92 Cb -0.26 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1q82 s VAL 92 CO 0.34 0.23 -0.22 0.27 0.00 0.00 0.00 175.10 175.72 1q82 s ILE 93 N -0.19 1.78 0.55 2.22 -4.36 -0.18 -4.76 121.20 116.26 1q82 s ILE 93 Ca 0.52 -0.92 0.06 0.00 -0.26 0.00 0.00 60.65 60.04 1q82 s ILE 93 Cb -0.32 -1.51 0.05 0.00 1.25 0.00 0.00 42.46 41.93 1q82 s ILE 93 CO 0.37 0.50 0.49 -0.13 0.24 0.00 0.00 174.94 176.41 1q82 s ARG 94 N -0.16 2.26 -0.20 0.37 0.52 -1.26 -1.26 118.95 119.22 1q82 s ARG 94 Ca -0.01 -1.95 -0.19 0.00 -0.52 0.00 0.00 55.73 53.06 1q82 s ARG 94 Cb -0.12 -2.21 0.05 0.00 0.52 0.00 0.00 34.95 33.19 1q82 s ARG 94 CO 0.02 -0.67 0.54 -2.00 0.02 0.00 0.00 175.30 173.21 1q82 s GLU 95 N -4.36 0.63 -1.11 3.54 2.12 -1.12 -4.83 118.70 113.57 1q82 s GLU 95 Ca 0.40 0.76 -0.12 0.00 0.36 0.00 0.00 54.97 56.36 1q82 s GLU 95 Cb -0.03 0.30 0.22 0.00 0.26 0.00 0.00 34.13 34.88 1q82 s GLU 95 CO 0.25 -0.08 1.21 1.21 -0.54 0.00 0.00 175.26 177.31 1q82 s ASN 96 N 0.31 7.12 -0.96 -1.70 2.47 -1.26 -1.30 114.94 119.61 1q82 s ASN 96 Ca -0.00 -3.15 -0.02 0.00 0.42 0.00 0.00 52.86 50.11 1q82 s ASN 96 Cb -0.04 -2.30 0.28 0.00 -1.45 0.00 0.00 41.25 37.74 1q82 s ASN 96 CO 0.00 -0.56 1.17 2.29 -3.72 0.00 0.00 177.10 176.28 1q82 n LYS 97 N 4.31 3.66 0.00 0.43 2.85 -1.26 -5.04 118.16 123.11 1q82 n LYS 97 Ca 0.28 -4.56 0.00 0.00 -1.05 0.00 0.00 58.31 52.98 1q82 n LYS 97 Cb 0.42 -2.44 0.00 0.00 -0.65 0.00 0.00 35.03 32.36 1q82 n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1q82 n ASP 109 N 1.53 -0.29 0.00 -5.58 -0.08 -1.26 -4.97 116.55 105.90 1q82 n ASP 109 Ca 0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1q82 n ASP 109 Cb 0.36 0.36 0.00 0.00 2.34 0.00 0.00 41.12 44.18 1q82 n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q82 n GLY 110 N 0.90 -0.21 1.15 0.27 0.00 -1.26 -4.91 105.19 101.12 1q82 n GLY 110 Ca 0.00 0.50 0.11 0.00 0.00 0.00 0.00 46.02 46.63 1q82 n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1q82 n MET 111 N 0.00 2.47 -2.71 1.61 2.81 -1.26 -4.75 117.12 115.30 1q82 n MET 111 Ca 0.00 -2.25 -0.40 0.00 -1.81 0.00 0.00 57.70 53.24 1q82 n MET 111 Cb 0.00 -1.51 -0.05 0.00 -0.71 0.00 0.00 33.22 30.94 1q82 n MET 111 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1q82 s ARG 112 N -1.38 4.80 -1.07 0.03 3.52 -1.26 -3.77 118.95 119.82 1q82 s ARG 112 Ca 0.41 1.52 -0.30 0.00 -0.13 0.00 0.00 55.73 57.23 1q82 s ARG 112 Cb 0.23 -3.29 0.04 0.00 -1.56 0.00 0.00 34.95 30.37 1q82 s ARG 112 CO 0.31 0.42 0.60 0.00 -0.81 0.00 0.00 175.30 175.82 1q82 n ALA 113 N 1.73 -2.46 1.73 6.12 0.00 -1.26 -4.85 120.51 121.52 1q82 n ALA 113 Ca -0.01 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.03 1q82 n ALA 113 Cb 0.47 -2.20 0.64 0.00 0.00 0.00 0.00 19.45 18.37 1q82 n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q82 n PRO 114 N -4.56 1.31 -1.77 0.00 -0.04 -1.25 -4.87 135.00 123.83 1q82 n PRO 114 Ca -0.11 -0.46 -0.43 0.00 -0.04 0.00 0.00 63.50 62.47 1q82 n PRO 114 Cb 0.51 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1q82 n PRO 114 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1q82 s PHE 115 N -1.96 1.43 1.39 0.54 5.36 -1.26 -4.65 117.98 118.83 1q82 s PHE 115 Ca 0.38 0.50 -0.22 0.00 -0.96 0.00 0.00 56.93 56.63 1q82 s PHE 115 Cb 0.19 -4.01 0.35 0.00 -0.34 0.00 0.00 43.02 39.20 1q82 s PHE 115 CO 0.31 -3.76 0.80 0.41 -1.46 0.00 0.00 175.22 171.52 1q82 n GLY 116 N 5.51 -3.57 3.50 13.12 0.00 -1.26 -4.94 105.19 117.54 1q82 n GLY 116 Ca 0.26 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 1q82 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q82 s LYS 117 N -4.76 2.55 0.03 1.61 -2.85 -0.42 -4.74 119.74 111.16 1q82 s LYS 117 Ca 0.62 -0.67 -0.35 0.00 -1.00 0.00 0.00 55.97 54.57 1q82 s LYS 117 Cb -0.12 -2.42 -0.14 0.00 -2.06 0.00 0.00 37.83 33.09 1q82 s LYS 117 CO 0.53 0.63 1.61 -2.30 0.10 0.00 0.00 175.35 175.93 1q82 n PRO 118 N 2.30 1.80 0.00 1.78 -0.02 -1.26 -2.80 135.00 136.80 1q82 n PRO 118 Ca -0.17 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1q82 n PRO 118 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1q82 n PRO 118 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1q82 n VAL 119 N 3.75 0.00 -3.31 -1.45 0.24 -0.39 -4.83 118.33 112.35 1q82 n VAL 119 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 1q82 n VAL 119 Cb 0.25 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1q82 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q82 n GLY 120 N 2.12 1.30 3.05 7.63 0.00 -0.86 -4.83 105.19 113.61 1q82 n GLY 120 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1q82 n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q82 s THR 121 N -2.48 0.15 0.07 2.61 -4.23 -1.26 -1.01 115.64 109.49 1q82 s THR 121 Ca 0.00 -1.25 -0.14 0.00 -1.18 0.00 0.00 61.69 59.12 1q82 s THR 121 Cb 0.00 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 73.02 1q82 s THR 121 CO 0.00 -0.69 0.32 0.00 -0.54 0.00 0.00 174.62 173.72 1q82 s ALA 122 N -2.57 -0.71 -0.14 3.99 0.00 -0.18 -1.54 121.76 120.61 1q82 s ALA 122 Ca -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1q82 s ALA 122 Cb -0.02 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1q82 s ALA 122 CO -0.05 -0.49 0.01 0.00 0.00 0.00 0.00 175.76 175.23 1q82 s ALA 123 N -3.08 3.23 -0.35 0.00 0.00 0.27 -1.68 121.76 120.16 1q82 s ALA 123 Ca -0.01 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 50.95 1q82 s ALA 123 Cb 0.01 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1q82 s ALA 123 CO -0.07 0.35 0.66 1.03 0.00 0.00 0.00 175.76 177.73 1q82 s ARG 124 N -0.13 3.71 -0.08 0.00 0.52 -1.26 -0.88 118.95 120.83 1q82 s ARG 124 Ca 0.05 0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.41 1q82 s ARG 124 Cb -0.13 -3.80 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 1q82 s ARG 124 CO 0.02 -0.73 -0.18 0.08 0.02 0.00 0.00 175.30 174.50 1q82 s VAL 125 N 2.75 2.64 0.11 3.52 1.01 -0.61 -5.00 120.40 124.82 1q82 s VAL 125 Ca 0.25 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1q82 s VAL 125 Cb -0.14 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1q82 s VAL 125 CO 0.15 0.56 0.31 -1.00 0.00 0.00 0.00 175.10 175.12 1q82 s HIS 126 N -0.15 3.49 0.12 5.22 3.76 -1.26 -0.54 115.29 125.92 1q82 s HIS 126 Ca -0.02 0.41 -0.35 0.00 -0.15 0.00 0.00 55.06 54.95 1q82 s HIS 126 Cb -0.14 -1.89 -0.16 0.00 1.11 0.00 0.00 32.58 31.51 1q82 s HIS 126 CO 0.04 0.49 1.43 0.41 -0.85 0.00 0.00 174.74 176.26 1q82 n GLY 127 N 0.10 0.73 0.88 -2.22 0.00 -1.25 -2.08 105.19 101.35 1q82 n GLY 127 Ca -0.04 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1q82 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 n ALA 128 N 2.86 0.00 -1.97 4.61 0.00 0.52 -4.85 120.51 121.67 1q82 n ALA 128 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1q82 n ALA 128 Cb 0.23 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.69 1q82 n ALA 128 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1q82 s ASN 129 N -2.82 6.26 -0.17 0.00 0.02 -0.88 -4.82 114.94 112.51 1q82 s ASN 129 Ca 0.00 1.30 -0.07 0.00 -1.02 0.00 0.00 52.86 53.07 1q82 s ASN 129 Cb 0.00 -2.41 -0.04 0.00 0.02 0.00 0.00 41.25 38.82 1q82 s ASN 129 CO 0.00 -0.78 0.05 -1.38 0.02 0.00 0.00 177.10 175.01 1q82 s HIS 130 N -3.04 3.22 -0.08 2.20 -3.43 -1.26 -1.83 115.29 111.07 1q82 s HIS 130 Ca 0.53 0.04 0.11 0.00 -0.80 0.00 0.00 55.06 54.94 1q82 s HIS 130 Cb -0.11 -2.05 -0.24 0.00 -1.43 0.00 0.00 32.58 28.76 1q82 s HIS 130 CO 0.51 0.15 0.52 1.51 -2.00 0.00 0.00 174.74 175.42 1q82 n ILE 131 N 3.46 1.60 -4.58 -5.38 3.06 0.07 -4.74 119.36 112.84 1q82 n ILE 131 Ca -0.17 -0.78 -0.25 0.00 -2.50 0.00 0.00 62.75 59.05 1q82 n ILE 131 Cb 0.52 -1.04 -0.14 0.00 0.54 0.00 0.00 39.64 39.52 1q82 n ILE 131 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1q82 s PHE 132 N -2.57 1.75 -0.11 9.51 2.99 -1.21 -2.05 117.98 126.28 1q82 s PHE 132 Ca -0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 56.93 56.43 1q82 s PHE 132 Cb 0.08 -1.03 0.06 0.00 0.00 0.00 0.00 43.02 42.12 1q82 s PHE 132 CO 0.81 0.09 0.21 0.42 -0.00 0.00 0.00 175.22 176.76 1q82 s ILE 133 N -0.83 -0.33 0.22 0.64 -1.09 0.54 -0.39 121.20 119.95 1q82 s ILE 133 Ca 0.07 0.29 0.10 0.00 -2.23 0.00 0.00 60.65 58.87 1q82 s ILE 133 Cb -0.09 -0.39 -0.04 0.00 -1.58 0.00 0.00 42.46 40.36 1q82 s ILE 133 CO 0.02 0.11 -0.10 0.00 -1.23 0.00 0.00 174.94 173.74 1q82 s ALA 134 N 2.35 2.93 -0.11 9.38 0.00 -0.51 0.04 121.76 135.85 1q82 s ALA 134 Ca 0.03 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.39 1q82 s ALA 134 Cb -0.12 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1q82 s ALA 134 CO -0.07 0.38 -0.11 -1.58 0.00 0.00 0.00 175.76 174.38 1q82 s TRP 135 N -1.99 1.68 0.05 0.00 0.51 0.17 -2.38 118.94 116.97 1q82 s TRP 135 Ca 0.27 -0.81 -0.01 0.00 -2.12 0.00 0.00 56.10 53.43 1q82 s TRP 135 Cb -0.07 -1.29 -0.04 0.00 -0.81 0.00 0.00 33.47 31.25 1q82 s TRP 135 CO 0.16 -0.49 -0.03 0.54 -0.51 0.00 0.00 176.95 176.62 1q82 s VAL 136 N 1.34 0.21 0.49 4.03 0.11 -0.59 -2.11 120.40 123.89 1q82 s VAL 136 Ca -0.01 -1.73 -0.03 0.00 -2.93 0.00 0.00 61.98 57.28 1q82 s VAL 136 Cb -0.14 -1.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 1q82 s VAL 136 CO -0.05 -0.95 0.76 0.20 -3.33 0.00 0.00 175.10 171.72 1q82 s ASN 137 N -2.79 5.95 -0.36 3.54 0.01 -1.26 -1.00 114.94 119.03 1q82 s ASN 137 Ca 0.05 0.62 -0.10 0.00 -0.71 0.00 0.00 52.86 52.72 1q82 s ASN 137 Cb 0.06 -1.86 -0.10 0.00 0.41 0.00 0.00 41.25 39.77 1q82 s ASN 137 CO -0.09 -0.72 1.36 -2.65 -1.51 0.00 0.00 177.10 173.49 1q82 n PRO 138 N -2.24 0.03 -2.71 -0.60 -0.02 -1.26 -4.21 135.00 123.99 1q82 n PRO 138 Ca 0.01 -0.61 -0.07 0.00 -2.02 0.00 0.00 63.50 60.81 1q82 n PRO 138 Cb 0.57 -2.05 0.10 0.00 -0.02 0.00 0.00 33.50 32.10 1q82 n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1q82 n ASP 139 N 9.81 -2.02 -4.58 2.55 2.03 -1.26 -5.10 116.55 117.99 1q82 n ASP 139 Ca 0.16 -2.90 -0.26 0.00 0.52 0.00 0.00 54.79 52.31 1q82 n ASP 139 Cb 0.47 1.40 -0.06 0.00 -0.72 0.00 0.00 41.12 42.20 1q82 n ASP 139 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1q82 s PRO 140 N 0.21 2.36 -0.02 -0.67 0.02 -1.26 -4.33 135.00 131.31 1q82 s PRO 140 Ca 0.21 -0.91 0.22 0.00 0.02 0.00 0.00 61.00 60.54 1q82 s PRO 140 Cb 0.33 -5.18 -0.30 0.00 0.02 0.00 0.00 34.50 29.38 1q82 s PRO 140 CO -0.07 -4.04 0.63 0.09 -0.33 0.00 0.00 177.00 173.28 1q82 n ASN 141 N 14.94 0.35 -0.26 2.53 3.02 -1.26 -4.07 115.26 130.52 1q82 n ASN 141 Ca 0.44 -0.34 -0.06 0.00 -0.03 0.00 0.00 54.58 54.58 1q82 n ASN 141 Cb 0.47 1.64 0.05 0.00 -0.61 0.00 0.00 39.78 41.32 1q82 n ASN 141 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1q82 h VAL 142 N 0.00 1.23 -0.77 2.41 3.04 -1.98 -0.43 116.25 119.75 1q82 h VAL 142 Ca 0.00 -0.65 0.20 0.00 -1.01 0.00 0.00 66.70 65.24 1q82 h VAL 142 Cb 0.83 0.35 -0.04 0.00 -2.01 0.00 0.00 31.29 30.41 1q82 h VAL 142 CO 0.00 0.27 0.54 -0.33 -1.01 0.00 0.00 177.57 177.04 1q82 h GLU 143 N 0.99 0.17 0.01 4.17 5.08 -1.94 0.63 114.58 123.70 1q82 h GLU 143 Ca 0.24 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.35 1q82 h GLU 143 Cb 0.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1q82 h GLU 143 CO -0.03 0.11 -1.24 1.49 -1.00 0.00 0.00 179.01 178.34 1q82 h GLU 144 N 0.18 0.03 0.00 2.33 4.57 -1.39 -3.06 114.58 117.24 1q82 h GLU 144 Ca 0.38 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1q82 h GLU 144 Cb 1.23 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1q82 h GLU 144 CO -0.07 0.88 0.00 0.00 -1.18 0.00 0.00 179.01 178.64 1q82 h ALA 145 N 0.95 1.00 0.00 2.92 0.00 0.17 -2.61 119.26 121.69 1q82 h ALA 145 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1q82 h ALA 145 Cb 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1q82 h ALA 145 CO 0.12 0.00 -1.82 0.91 0.00 0.00 0.00 179.25 178.47 1q82 n TRP 146 N -2.36 0.00 0.14 0.00 8.01 -0.29 -2.85 117.44 120.08 1q82 n TRP 146 Ca 0.01 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.19 1q82 n TRP 146 Cb 0.18 -0.41 0.22 0.00 -2.01 0.00 0.00 31.31 29.29 1q82 n TRP 146 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 1q82 h ARG 147 N 0.00 0.07 0.00 -0.99 2.43 -1.36 -2.01 114.38 112.51 1q82 h ARG 147 Ca 0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1q82 h ARG 147 Cb 0.90 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1q82 h ARG 147 CO 0.00 0.57 -0.89 0.00 -1.51 0.00 0.00 179.97 178.14 1q82 h ARG 148 N 0.05 0.00 -0.00 0.20 3.08 -1.66 -3.33 114.38 112.71 1q82 h ARG 148 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1q82 h ARG 148 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 1q82 h ARG 148 CO 0.07 0.34 -0.00 0.00 -1.07 0.00 0.00 179.97 179.31 1q82 h ALA 149 N 1.54 0.00 0.00 0.04 0.00 -1.27 -3.03 119.26 116.54 1q82 h ALA 149 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1q82 h ALA 149 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1q82 h ALA 149 CO 0.05 -0.23 0.00 0.36 0.00 0.00 0.00 179.25 179.43 1q82 n LYS 150 N -4.83 0.82 0.03 0.00 0.00 -0.81 -1.81 118.16 111.57 1q82 n LYS 150 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.20 1q82 n LYS 150 Cb 0.27 -1.05 -0.09 0.00 -0.00 0.00 0.00 35.03 34.17 1q82 n LYS 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1q82 h MET 151 N 0.02 0.00 -0.30 -1.58 4.05 -1.64 -3.36 114.93 112.13 1q82 h MET 151 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1q82 h MET 151 Cb 0.05 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1q82 h MET 151 CO 0.00 0.39 0.00 1.63 0.23 0.00 0.00 176.91 179.16 1q82 n LYS 152 N -2.98 3.08 -4.40 0.39 5.02 -0.75 -4.95 118.16 113.57 1q82 n LYS 152 Ca -0.10 -2.89 -0.19 0.00 -2.02 0.00 0.00 58.31 53.11 1q82 n LYS 152 Cb 0.88 -1.89 -0.14 0.00 -0.02 0.00 0.00 35.03 33.86 1q82 n LYS 152 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1q82 s VAL 153 N -2.84 0.88 0.20 -0.18 -7.23 -1.25 -4.63 120.40 105.35 1q82 s VAL 153 Ca 0.44 -0.62 -0.20 0.00 -1.81 0.00 0.00 61.98 59.79 1q82 s VAL 153 Cb 0.35 -0.76 0.17 0.00 0.56 0.00 0.00 36.38 36.70 1q82 s VAL 153 CO 0.09 0.14 1.57 0.74 -0.31 0.00 0.00 175.10 177.34 1q82 h THR 154 N 4.77 0.10 -4.20 5.32 2.02 -1.92 -3.45 112.91 115.55 1q82 h THR 154 Ca -0.33 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.35 1q82 h THR 154 Cb 1.18 0.10 0.14 0.00 -1.74 0.00 0.00 68.15 67.82 1q82 h THR 154 CO 0.48 0.00 0.29 -2.16 0.37 0.00 0.00 175.52 174.49 1q82 s PRO 155 N -5.97 1.77 0.51 6.66 0.04 -1.26 -5.03 135.00 131.72 1q82 s PRO 155 Ca -0.14 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 61.71 1q82 s PRO 155 Cb 0.18 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.78 1q82 s PRO 155 CO 0.70 -1.93 0.98 0.99 0.04 0.00 0.00 177.00 177.78 1q82 s THR 156 N -2.93 4.54 0.09 1.26 2.01 -1.26 -4.94 115.64 114.41 1q82 s THR 156 Ca 0.62 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.83 1q82 s THR 156 Cb -0.17 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1q82 s THR 156 CO 0.56 -0.67 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.18 1q82 s ILE 157 N -2.60 0.37 -0.18 1.82 1.01 -1.26 -2.18 121.20 118.18 1q82 s ILE 157 Ca 0.59 -1.88 0.01 0.00 0.00 0.00 0.00 60.65 59.36 1q82 s ILE 157 Cb -0.10 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.65 1q82 s ILE 157 CO 0.31 -0.79 -0.20 0.21 0.00 0.00 0.00 174.94 174.47 1q82 s ASN 158 N -3.01 3.11 -0.59 3.58 3.84 0.03 -4.95 114.94 116.96 1q82 s ASN 158 Ca 0.14 -0.64 -0.22 0.00 0.21 0.00 0.00 52.86 52.35 1q82 s ASN 158 Cb 0.07 -1.46 0.06 0.00 -0.55 0.00 0.00 41.25 39.37 1q82 s ASN 158 CO -0.04 -0.00 0.86 -0.63 -2.79 0.00 0.00 177.10 174.50 1q82 s ILE 159 N 1.29 4.50 -0.15 -5.21 1.01 -1.26 -0.49 121.20 120.90 1q82 s ILE 159 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 1q82 s ILE 159 Cb -0.13 -4.54 -0.03 0.00 0.01 0.00 0.00 42.46 37.77 1q82 s ILE 159 CO -0.13 -1.18 0.01 -0.62 0.00 0.00 0.00 174.94 173.03 1q82 s ASP 160 N 3.19 5.27 -0.15 3.58 -1.08 0.18 -4.94 116.67 122.72 1q82 s ASP 160 Ca 0.22 0.04 -0.07 0.00 -0.52 0.00 0.00 52.55 52.22 1q82 s ASP 160 Cb -0.17 -1.79 -0.04 0.00 -1.46 0.00 0.00 42.92 39.47 1q82 s ASP 160 CO 0.13 0.23 0.10 -0.55 0.52 0.00 0.00 175.17 175.60 1q82 s SER 161 N 0.02 6.00 0.00 -0.34 0.15 -1.26 0.13 113.70 118.39 1q82 s SER 161 Ca 0.03 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1q82 s SER 161 Cb -0.13 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1q82 s SER 161 CO 0.02 0.30 0.00 -1.20 1.20 0.00 0.00 173.24 173.55 1q82 n SER 162 N 2.73 0.00 -4.56 5.45 7.64 0.74 -4.87 113.62 120.74 1q82 n SER 162 Ca -0.18 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.31 1q82 n SER 162 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1q82 n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1q82 s PRO 163 N 1.02 2.64 0.00 1.43 0.02 -1.26 -4.68 135.00 134.17 1q82 s PRO 163 Ca 0.00 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.04 1q82 s PRO 163 Cb 0.00 -4.40 0.00 0.00 0.02 0.00 0.00 34.50 30.12 1q82 s PRO 163 CO 0.00 -2.69 0.00 0.00 -0.33 0.00 0.00 177.00 173.98 1q82 n ALA 164 N 13.07 0.00 -1.11 -1.55 0.00 -1.26 -2.79 120.51 126.86 1q82 n ALA 164 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.51 1q82 n ALA 164 Cb 0.52 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.18 1q82 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 165 N 0.00 4.18 2.72 0.00 0.00 -1.26 -4.60 105.19 106.24 1q82 n GLY 165 Ca 0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1q82 n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q82 n ASN 166 N -0.82 7.05 -0.82 1.61 5.03 -1.26 -5.27 115.26 120.78 1q82 n ASN 166 Ca 0.53 -3.63 0.13 0.00 0.87 0.00 0.00 54.58 52.48 1q82 n ASN 166 Cb 1.57 -1.17 0.22 0.00 -1.02 0.00 0.00 39.78 39.38 1q82 n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43