#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 n GLU 5 N 0.00 -4.44 -3.43 0.00 1.02 -1.26 -5.03 120.64 107.50 1q82 n GLU 5 Ca 0.00 3.15 -0.18 0.00 -0.02 0.00 0.00 57.16 60.11 1q82 n GLU 5 Cb 0.00 -3.69 -0.11 0.00 -0.02 0.00 0.00 31.44 27.62 1q82 n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1q82 s PHE 6 N -0.44 -0.37 -0.86 -0.32 5.36 -1.26 -5.06 117.98 115.03 1q82 s PHE 6 Ca 0.00 -0.07 -0.26 0.00 -0.96 0.00 0.00 56.93 55.64 1q82 s PHE 6 Cb 0.00 -0.45 -0.21 0.00 -0.34 0.00 0.00 43.02 42.02 1q82 s PHE 6 CO 0.00 -0.82 1.94 -0.25 -1.46 0.00 0.00 175.22 174.62 1q82 n ASP 7 N 5.31 1.94 -4.69 6.13 8.00 -1.26 -4.89 116.55 127.09 1q82 n ASP 7 Ca -0.03 -2.58 -0.42 0.00 0.71 0.00 0.00 54.79 52.46 1q82 n ASP 7 Cb 0.47 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.13 1q82 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q82 s ALA 8 N 11.89 3.38 0.26 2.24 0.00 -1.26 -4.80 121.76 133.46 1q82 s ALA 8 Ca 0.72 0.45 0.16 0.00 0.00 0.00 0.00 51.96 53.29 1q82 s ALA 8 Cb 0.03 -3.43 0.64 0.00 0.00 0.00 0.00 23.12 20.36 1q82 s ALA 8 CO 0.20 -0.57 1.74 -0.44 0.00 0.00 0.00 175.76 176.69 1q82 h ASP 9 N 7.10 0.00 -4.06 0.00 3.32 -0.66 -3.44 116.42 118.69 1q82 h ASP 9 Ca -0.33 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.42 1q82 h ASP 9 Cb 1.16 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.44 1q82 h ASP 9 CO 0.84 0.43 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.36 1q82 s VAL 10 N -3.76 0.36 -0.20 -1.35 1.01 -0.71 -4.99 120.40 110.77 1q82 s VAL 10 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1q82 s VAL 10 Cb 0.12 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.21 1q82 s VAL 10 CO 0.71 -0.00 -0.07 -0.63 0.00 0.00 0.00 175.10 175.10 1q82 s ILE 11 N -0.36 1.42 -0.17 2.22 1.01 -1.26 -1.81 121.20 122.25 1q82 s ILE 11 Ca -0.01 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 1q82 s ILE 11 Cb -0.03 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1q82 s ILE 11 CO -0.00 0.09 0.06 -0.69 0.00 0.00 0.00 174.94 174.40 1q82 s VAL 12 N 1.48 4.81 -0.29 2.92 1.01 -0.20 0.81 120.40 130.94 1q82 s VAL 12 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1q82 s VAL 12 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1q82 s VAL 12 CO -0.08 0.48 0.40 -0.62 0.00 0.00 0.00 175.10 175.29 1q82 s ASP 13 N 0.18 6.27 0.14 3.32 -1.08 0.86 -0.29 116.67 126.08 1q82 s ASP 13 Ca 0.05 0.20 0.25 0.00 -0.52 0.00 0.00 52.55 52.53 1q82 s ASP 13 Cb -0.12 -2.22 0.62 0.00 -1.46 0.00 0.00 42.92 39.74 1q82 s ASP 13 CO 0.00 -0.25 1.57 0.00 0.52 0.00 0.00 175.17 177.00 1q82 n ALA 14 N 5.42 2.66 -1.70 3.66 0.00 -0.31 -4.69 120.51 125.55 1q82 n ALA 14 Ca -0.08 -0.15 -0.55 0.00 0.00 0.00 0.00 53.44 52.67 1q82 n ALA 14 Cb 0.50 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 1q82 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1q82 n ARG 15 N -2.07 1.43 -2.13 0.00 0.63 -1.26 -0.67 116.66 112.58 1q82 n ARG 15 Ca 0.05 0.52 -0.17 0.00 -0.92 0.00 0.00 57.85 57.33 1q82 n ARG 15 Cb 0.42 -2.25 -0.02 0.00 0.45 0.00 0.00 32.46 31.06 1q82 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1q82 n ASP 16 N 5.49 -5.10 -4.51 6.15 9.92 -0.80 -4.92 116.55 122.77 1q82 n ASP 16 Ca 0.25 0.09 -0.29 0.00 -0.53 0.00 0.00 54.79 54.31 1q82 n ASP 16 Cb 0.18 -4.18 -0.11 0.00 -0.64 0.00 0.00 41.12 36.37 1q82 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q82 s ILE 18 N -1.33 3.78 0.12 0.00 1.01 0.26 -1.39 121.20 123.64 1q82 s ILE 18 Ca 0.20 0.65 -0.23 0.00 0.00 0.00 0.00 60.65 61.28 1q82 s ILE 18 Cb -0.10 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 1q82 s ILE 18 CO 0.12 -1.21 1.29 0.80 0.00 0.00 0.00 174.94 175.93 1q82 n MET 19 N 8.71 -0.32 -0.17 2.79 0.00 -0.96 -0.94 117.12 126.24 1q82 n MET 19 Ca 0.12 1.27 -0.04 0.00 -0.00 0.00 0.00 57.70 59.04 1q82 n MET 19 Cb 0.49 -1.87 0.02 0.00 0.00 0.00 0.00 33.22 31.87 1q82 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1q82 h GLY 20 N 0.00 0.11 0.93 -5.12 0.00 -1.91 0.73 103.07 97.81 1q82 h GLY 20 Ca 0.12 0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1q82 h GLY 20 CO -0.68 -0.22 0.46 3.21 0.00 0.00 0.00 176.54 179.31 1q82 h ARG 21 N -0.12 0.89 0.57 4.80 3.08 -1.56 0.37 114.38 122.42 1q82 h ARG 21 Ca 0.24 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1q82 h ARG 21 Cb 0.49 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.34 1q82 h ARG 21 CO -0.59 0.59 -0.28 0.28 -1.07 0.00 0.00 179.97 178.90 1q82 h VAL 22 N 0.92 0.38 -0.81 2.04 2.07 0.55 -2.76 116.25 118.64 1q82 h VAL 22 Ca 0.28 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.78 1q82 h VAL 22 Cb -0.04 0.46 -0.12 0.00 -1.52 0.00 0.00 31.29 30.06 1q82 h VAL 22 CO -0.08 0.03 0.22 0.00 0.02 0.00 0.00 177.57 177.75 1q82 h ALA 23 N -0.57 1.12 -0.77 1.67 0.00 0.78 0.27 119.26 121.76 1q82 h ALA 23 Ca -0.08 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1q82 h ALA 23 Cb 0.64 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1q82 h ALA 23 CO 0.13 -0.38 0.51 1.03 0.00 0.00 0.00 179.25 180.53 1q82 h SER 24 N 0.26 0.77 0.37 0.00 0.87 -0.84 -0.71 113.55 114.28 1q82 h SER 24 Ca 0.48 -0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.77 1q82 h SER 24 Cb 0.89 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1q82 h SER 24 CO -0.57 0.51 -1.17 1.56 -0.53 0.00 0.00 176.83 176.64 1q82 h GLN 25 N 0.89 0.43 0.00 2.24 4.20 -0.30 -2.81 115.11 119.75 1q82 h GLN 25 Ca 0.32 -0.59 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 1q82 h GLN 25 Cb 0.14 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1q82 h GLN 25 CO -0.10 1.25 -0.38 0.28 -0.67 0.00 0.00 178.83 179.21 1q82 h VAL 26 N 0.18 1.26 0.27 -0.54 2.07 -0.21 -2.00 116.25 117.29 1q82 h VAL 26 Ca -0.14 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1q82 h VAL 26 Cb 1.85 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1q82 h VAL 26 CO 0.21 0.37 -0.13 0.00 0.02 0.00 0.00 177.57 178.04 1q82 h ALA 27 N 1.62 -0.36 -0.81 1.67 0.00 -1.20 -1.38 119.26 118.80 1q82 h ALA 27 Ca -0.00 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.87 1q82 h ALA 27 Cb 0.67 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 1q82 h ALA 27 CO 0.05 -0.45 -0.19 1.49 0.00 0.00 0.00 179.25 180.16 1q82 h GLU 28 N -0.87 0.01 -0.48 0.00 4.57 -1.34 0.52 114.58 116.98 1q82 h GLU 28 Ca -0.04 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1q82 h GLU 28 Cb 0.51 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1q82 h GLU 28 CO 0.06 0.00 -0.07 1.96 -1.18 0.00 0.00 179.01 179.78 1q82 h GLN 29 N 0.01 0.90 0.00 1.92 4.20 -1.38 -2.78 115.11 117.98 1q82 h GLN 29 Ca 0.40 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1q82 h GLN 29 Cb 0.61 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1q82 h GLN 29 CO -0.83 0.97 -0.13 0.00 -0.67 0.00 0.00 178.83 178.18 1q82 h ALA 30 N 0.90 1.41 0.00 3.87 0.00 0.21 0.89 119.26 126.53 1q82 h ALA 30 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1q82 h ALA 30 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1q82 h ALA 30 CO 0.04 0.16 -0.28 -0.07 0.00 0.00 0.00 179.25 179.10 1q82 h LEU 31 N 0.00 0.00 -1.13 0.00 3.38 -0.96 -2.99 115.31 113.61 1q82 h LEU 31 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1q82 h LEU 31 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1q82 h LEU 31 CO 0.02 0.03 0.00 0.47 0.09 0.00 0.00 178.44 179.04 1q82 n ASP 32 N -2.48 1.69 0.00 -0.43 8.00 0.22 -4.90 116.55 118.65 1q82 n ASP 32 Ca 0.04 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.81 1q82 n ASP 32 Cb 0.47 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1q82 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q82 n GLY 33 N 1.13 0.72 3.76 0.44 0.00 -1.03 -5.07 105.19 105.14 1q82 n GLY 33 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1q82 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q82 s GLU 34 N -0.70 4.72 -0.31 1.61 0.41 -0.69 -4.99 118.70 118.75 1q82 s GLU 34 Ca 0.00 1.42 -0.16 0.00 -0.41 0.00 0.00 54.97 55.82 1q82 s GLU 34 Cb 0.00 -3.05 -0.02 0.00 -1.78 0.00 0.00 34.13 29.28 1q82 s GLU 34 CO 0.00 0.39 0.43 0.99 -0.49 0.00 0.00 175.26 176.58 1q82 s THR 35 N -1.39 5.11 0.05 3.63 2.01 -1.26 -4.18 115.64 119.61 1q82 s THR 35 Ca 0.46 0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.92 1q82 s THR 35 Cb -0.23 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1q82 s THR 35 CO 0.28 -0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.41 1q82 s VAL 36 N 2.18 3.47 -0.08 3.82 1.01 -0.95 0.13 120.40 129.97 1q82 s VAL 36 Ca 0.16 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1q82 s VAL 36 Cb -0.16 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1q82 s VAL 36 CO 0.11 0.27 -0.03 0.00 0.00 0.00 0.00 175.10 175.46 1q82 s ALA 37 N -1.08 0.92 -0.22 5.51 0.00 -0.75 -2.18 121.76 123.96 1q82 s ALA 37 Ca 0.19 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 1q82 s ALA 37 Cb -0.11 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 1q82 s ALA 37 CO 0.10 -0.42 0.20 0.08 0.00 0.00 0.00 175.76 175.72 1q82 s VAL 38 N 1.83 5.34 0.11 0.00 1.01 -0.16 -1.04 120.40 127.48 1q82 s VAL 38 Ca 0.04 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1q82 s VAL 38 Cb -0.12 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1q82 s VAL 38 CO -0.06 0.34 0.01 -0.69 0.00 0.00 0.00 175.10 174.71 1q82 s VAL 39 N 0.97 4.03 -1.23 2.92 1.01 0.61 0.65 120.40 129.37 1q82 s VAL 39 Ca 0.10 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1q82 s VAL 39 Cb -0.13 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1q82 s VAL 39 CO 0.04 0.07 1.06 0.59 0.00 0.00 0.00 175.10 176.86 1q82 n ASN 40 N 0.40 -4.91 -0.23 3.32 3.02 0.22 -1.16 115.26 115.92 1q82 n ASN 40 Ca -0.10 -0.53 0.03 0.00 -0.03 0.00 0.00 54.58 53.95 1q82 n ASN 40 Cb 0.52 -4.76 0.15 0.00 -0.61 0.00 0.00 39.78 35.08 1q82 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q82 h ALA 41 N 0.92 0.90 -0.43 5.41 0.00 -1.52 0.75 119.26 125.29 1q82 h ALA 41 Ca -0.54 0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.61 1q82 h ALA 41 Cb 1.34 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1q82 h ALA 41 CO 0.51 -0.23 0.53 1.05 0.00 0.00 0.00 179.25 181.10 1q82 h GLU 42 N 0.38 0.00 -0.54 0.00 9.09 -1.87 0.19 114.58 121.83 1q82 h GLU 42 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 1q82 h GLU 42 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1q82 h GLU 42 CO -0.39 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.21 1q82 n ARG 43 N -3.55 2.61 -1.19 1.06 1.74 0.25 -1.73 116.66 115.84 1q82 n ARG 43 Ca 0.08 -2.45 -0.30 0.00 -0.77 0.00 0.00 57.85 54.41 1q82 n ARG 43 Cb 0.70 -1.53 0.14 0.00 -1.02 0.00 0.00 32.46 30.75 1q82 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q82 s ALA 44 N -1.25 1.49 0.05 7.54 0.00 0.67 -1.90 121.76 128.35 1q82 s ALA 44 Ca 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1q82 s ALA 44 Cb 0.24 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 1q82 s ALA 44 CO 0.32 -2.40 -0.00 0.54 0.00 0.00 0.00 175.76 174.22 1q82 s VAL 45 N -2.93 0.18 -0.05 0.00 0.11 -0.49 -1.54 120.40 115.69 1q82 s VAL 45 Ca 0.64 -1.52 -0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1q82 s VAL 45 Cb -0.18 -1.21 0.03 0.00 -1.53 0.00 0.00 36.38 33.49 1q82 s VAL 45 CO 0.57 -0.84 0.00 -0.51 -3.33 0.00 0.00 175.10 170.99 1q82 s ILE 46 N -3.32 0.26 0.78 7.04 2.07 -0.44 -2.25 121.20 125.34 1q82 s ILE 46 Ca 0.01 0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 59.24 1q82 s ILE 46 Cb 0.03 -0.39 0.06 0.00 0.13 0.00 0.00 42.46 42.30 1q82 s ILE 46 CO -0.08 0.20 1.13 -0.89 -1.91 0.00 0.00 174.94 173.39 1q82 s THR 47 N 1.45 2.78 0.00 4.00 2.01 -1.26 -1.25 115.64 123.37 1q82 s THR 47 Ca -0.03 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1q82 s THR 47 Cb -0.13 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.69 1q82 s THR 47 CO -0.03 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 1q82 n GLY 48 N -0.38 2.03 3.54 4.40 0.00 -0.63 -4.84 105.19 109.31 1q82 n GLY 48 Ca 0.11 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1q82 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q82 s ARG 49 N -1.58 3.21 0.12 1.61 3.52 -1.26 -2.97 118.95 121.59 1q82 s ARG 49 Ca 0.00 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.31 1q82 s ARG 49 Cb 0.00 -4.17 0.25 0.00 -1.56 0.00 0.00 34.95 29.47 1q82 s ARG 49 CO 0.00 -2.05 0.62 -1.91 -0.81 0.00 0.00 175.30 171.14 1q82 n GLU 50 N 9.04 -0.03 -0.08 5.12 2.13 -1.26 -0.13 120.64 135.42 1q82 n GLU 50 Ca 0.03 0.60 -0.08 0.00 0.66 0.00 0.00 57.16 58.37 1q82 n GLU 50 Cb 0.48 -0.93 -0.00 0.00 0.27 0.00 0.00 31.44 31.26 1q82 n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1q82 h GLU 51 N 0.00 0.23 -0.05 5.31 3.07 -1.99 0.75 114.58 121.89 1q82 h GLU 51 Ca 0.22 -0.01 -0.23 0.00 -0.50 0.00 0.00 59.36 58.84 1q82 h GLU 51 Cb 0.41 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1q82 h GLU 51 CO -0.38 0.15 -0.89 -0.56 -1.40 0.00 0.00 179.01 175.93 1q82 h GLN 52 N 0.23 0.59 -0.60 2.33 -0.00 -0.94 -2.31 115.11 114.41 1q82 h GLN 52 Ca 0.13 -0.56 0.03 0.00 -0.00 0.00 0.00 58.65 58.25 1q82 h GLN 52 Cb 0.09 0.14 -0.04 0.00 -0.00 0.00 0.00 27.48 27.67 1q82 h GLN 52 CO -0.13 1.18 0.36 0.82 -0.00 0.00 0.00 178.83 181.06 1q82 h ILE 53 N 0.37 1.06 -0.50 1.86 2.04 -1.16 -2.18 117.51 118.99 1q82 h ILE 53 Ca -0.08 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 1q82 h ILE 53 Cb 1.52 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1q82 h ILE 53 CO 0.17 0.13 -0.13 0.58 0.00 0.00 0.00 178.15 178.90 1q82 h VAL 54 N 0.71 1.27 -1.00 1.67 2.07 -0.80 -2.91 116.25 117.26 1q82 h VAL 54 Ca 0.24 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.56 1q82 h VAL 54 Cb 0.04 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1q82 h VAL 54 CO -0.11 0.44 0.64 -0.33 0.02 0.00 0.00 177.57 178.23 1q82 h GLU 55 N 0.83 1.12 0.23 1.57 5.08 -1.00 0.28 114.58 122.68 1q82 h GLU 55 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1q82 h GLU 55 Cb 0.69 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1q82 h GLU 55 CO 0.05 0.74 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.45 1q82 h LYS 56 N 1.16 -0.32 -0.18 2.33 3.64 -1.26 -0.71 116.57 121.22 1q82 h LYS 56 Ca 0.43 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.73 1q82 h LYS 56 Cb 0.19 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1q82 h LYS 56 CO -0.18 -0.22 -0.34 1.88 -2.27 0.00 0.00 179.45 178.32 1q82 h TYR 57 N -0.34 0.44 -0.14 1.91 -1.99 -1.21 -2.72 116.97 112.92 1q82 h TYR 57 Ca -0.03 -0.11 -0.08 0.00 2.00 0.00 0.00 58.73 60.52 1q82 h TYR 57 Cb 0.27 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1q82 h TYR 57 CO -0.08 0.69 -0.25 0.93 -0.00 0.00 0.00 178.16 179.45 1q82 h GLU 58 N 0.33 0.26 0.31 4.88 5.08 -0.18 -2.25 114.58 123.01 1q82 h GLU 58 Ca 0.04 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1q82 h GLU 58 Cb 0.77 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1q82 h GLU 58 CO 0.06 0.50 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.20 1q82 h LYS 59 N 0.23 -0.40 -1.01 2.33 1.63 -0.88 -2.25 116.57 116.22 1q82 h LYS 59 Ca 0.04 0.03 0.24 0.00 -0.85 0.00 0.00 60.65 60.10 1q82 h LYS 59 Cb 0.57 0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 32.18 1q82 h LYS 59 CO 0.04 -0.18 0.61 0.00 -3.45 0.00 0.00 179.45 176.47 1q82 h ARG 60 N -0.55 0.57 -0.54 1.90 3.08 -1.20 0.37 114.38 118.01 1q82 h ARG 60 Ca -0.04 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1q82 h ARG 60 Cb 0.41 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1q82 h ARG 60 CO 0.07 0.38 -0.06 0.28 -1.07 0.00 0.00 179.97 179.57 1q82 h VAL 61 N 0.59 1.27 0.00 2.04 2.07 -1.05 -3.12 116.25 118.04 1q82 h VAL 61 Ca 0.62 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1q82 h VAL 61 Cb 1.20 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1q82 h VAL 61 CO -0.42 0.43 -0.60 0.44 0.02 0.00 0.00 177.57 177.43 1q82 h ASP 62 N 0.88 0.00 -4.03 0.57 3.32 0.15 -3.45 116.42 113.86 1q82 h ASP 62 Ca 0.15 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.65 1q82 h ASP 62 Cb 0.62 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.30 1q82 h ASP 62 CO 0.04 0.60 0.64 -0.63 -1.72 0.00 0.00 179.24 178.17 1q82 s ILE 63 N -3.44 2.07 0.00 0.35 1.01 0.57 -4.92 121.20 116.85 1q82 s ILE 63 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1q82 s ILE 63 Cb 0.11 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.55 1q82 s ILE 63 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.30 1q82 n GLY 64 N 0.68 2.05 0.00 6.18 0.00 -1.26 -4.64 105.19 108.20 1q82 n GLY 64 Ca 0.09 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1q82 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q82 n ASN 65 N 0.00 0.00 -0.21 1.61 0.23 -1.26 -4.95 115.26 110.67 1q82 n ASN 65 Ca 0.00 -0.37 -0.05 0.00 -0.53 0.00 0.00 54.58 53.63 1q82 n ASN 65 Cb 0.00 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.75 1q82 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1q82 h ASP 66 N 0.00 0.66 -0.25 0.53 3.32 -2.05 -1.52 116.42 117.12 1q82 h ASP 66 Ca 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1q82 h ASP 66 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1q82 h ASP 66 CO 0.00 0.47 0.08 -1.13 -1.72 0.00 0.00 179.24 176.94 1q82 h ASN 67 N 0.79 0.42 -4.87 6.45 -0.73 -2.05 -3.48 115.58 112.11 1q82 h ASN 67 Ca 0.24 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1q82 h ASN 67 Cb -0.04 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.44 1q82 h ASN 67 CO -0.07 0.43 0.00 0.61 -0.37 0.00 0.00 177.43 178.02 1q82 n GLY 68 N -1.13 1.56 2.51 1.57 0.00 -0.57 -4.99 105.19 104.13 1q82 n GLY 68 Ca 0.02 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 1q82 n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q82 n TYR 69 N 1.55 -2.05 -2.05 1.61 9.36 -1.26 -4.74 117.16 119.57 1q82 n TYR 69 Ca 0.00 -2.55 -0.40 0.00 3.32 0.00 0.00 57.90 58.27 1q82 n TYR 69 Cb 0.00 0.70 -0.03 0.00 -0.63 0.00 0.00 39.34 39.38 1q82 n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1q82 s PHE 70 N 0.16 1.74 -0.18 2.98 5.36 -1.26 -4.80 117.98 121.98 1q82 s PHE 70 Ca 0.32 0.74 -0.04 0.00 -0.96 0.00 0.00 56.93 56.99 1q82 s PHE 70 Cb 0.08 -4.12 -0.02 0.00 -0.34 0.00 0.00 43.02 38.62 1q82 s PHE 70 CO -0.15 -2.42 -0.02 -0.47 -1.46 0.00 0.00 175.22 170.71 1q82 s TYR 71 N 8.36 3.03 0.53 10.12 5.04 -1.26 -5.09 117.35 138.07 1q82 s TYR 71 Ca 0.69 -0.42 -0.22 0.00 -2.44 0.00 0.00 57.07 54.68 1q82 s TYR 71 Cb -0.15 -2.04 -0.05 0.00 0.35 0.00 0.00 41.96 40.07 1q82 s TYR 71 CO 0.24 -0.18 1.27 -1.25 -1.34 0.00 0.00 175.55 174.29 1q82 s PRO 72 N 0.79 3.31 -0.13 4.97 0.04 -1.26 -4.90 135.00 137.82 1q82 s PRO 72 Ca -0.00 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1q82 s PRO 72 Cb -0.14 -2.25 -0.12 0.00 0.04 0.00 0.00 34.50 32.03 1q82 s PRO 72 CO 0.02 -0.98 -0.05 1.63 0.04 0.00 0.00 177.00 177.65 1q82 n LYS 73 N -0.95 1.16 -1.68 4.56 5.02 -1.26 -4.55 118.16 120.45 1q82 n LYS 73 Ca 0.10 0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 1q82 n LYS 73 Cb 0.47 -1.30 0.06 0.00 -0.02 0.00 0.00 35.03 34.24 1q82 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1q82 s ARG 74 N -2.29 2.58 0.57 1.97 1.81 -1.26 -4.27 118.95 118.05 1q82 s ARG 74 Ca -0.14 1.61 0.34 0.00 -1.72 0.00 0.00 55.73 55.83 1q82 s ARG 74 Cb 0.04 -1.90 1.71 0.00 -0.45 0.00 0.00 34.95 34.35 1q82 s ARG 74 CO 0.41 -1.47 2.13 -1.00 -0.68 0.00 0.00 175.30 174.69 1q82 h PRO 75 N 0.08 0.00 0.00 3.54 0.13 -1.94 -1.97 132.00 131.83 1q82 h PRO 75 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1q82 h PRO 75 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1q82 h PRO 75 CO 0.52 0.05 0.00 -3.47 -0.23 0.00 0.00 178.00 174.88 1q82 n ASP 76 N -3.32 0.00 0.02 1.44 -0.08 -1.26 -2.23 116.55 111.12 1q82 n ASP 76 Ca -0.01 0.61 -0.11 0.00 -1.51 0.00 0.00 54.79 53.77 1q82 n ASP 76 Cb 0.21 -0.11 -0.04 0.00 2.34 0.00 0.00 41.12 43.52 1q82 n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1q82 h GLY 77 N 0.00 -0.38 -0.83 0.27 0.00 -1.91 -2.69 103.07 97.53 1q82 h GLY 77 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 47.33 47.80 1q82 h GLY 77 CO 0.00 -0.21 -0.34 1.39 0.00 0.00 0.00 176.54 177.38 1q82 n ILE 78 N -5.39 -0.45 -0.20 2.60 2.08 -0.75 0.98 119.36 118.23 1q82 n ILE 78 Ca -0.04 1.95 -0.05 0.00 0.56 0.00 0.00 62.75 65.18 1q82 n ILE 78 Cb 0.31 -2.57 0.12 0.00 -0.75 0.00 0.00 39.64 36.75 1q82 n ILE 78 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1q82 h PHE 79 N 0.00 1.04 -0.35 1.39 -0.00 -1.13 -1.27 116.94 116.61 1q82 h PHE 79 Ca 0.28 -0.10 -0.12 0.00 -0.00 0.00 0.00 57.97 58.03 1q82 h PHE 79 Cb 0.49 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 36.13 1q82 h PHE 79 CO -0.74 0.83 -0.26 -0.22 -0.00 0.00 0.00 178.31 177.93 1q82 h LYS 80 N 0.97 0.80 -0.66 1.11 3.64 0.92 -2.26 116.57 121.08 1q82 h LYS 80 Ca 0.21 -0.39 0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1q82 h LYS 80 Cb 0.29 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1q82 h LYS 80 CO -0.01 1.02 0.43 -0.09 -2.27 0.00 0.00 179.45 178.54 1q82 h ARG 81 N 0.58 0.86 -0.70 1.90 9.65 -0.20 -0.45 114.38 126.02 1q82 h ARG 81 Ca 0.07 -0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.00 1q82 h ARG 81 Cb 0.83 -0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 29.14 1q82 h ARG 81 CO 0.07 0.57 0.31 1.15 2.80 0.00 0.00 179.97 184.86 1q82 h THR 82 N 0.88 0.77 -0.45 0.20 2.02 -1.01 -0.31 112.91 115.01 1q82 h THR 82 Ca 0.24 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 1q82 h THR 82 Cb -0.09 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1q82 h THR 82 CO -0.06 0.09 -0.09 0.40 0.37 0.00 0.00 175.52 176.24 1q82 h ILE 83 N 0.51 1.26 -0.51 3.11 2.04 -0.68 -2.64 117.51 120.58 1q82 h ILE 83 Ca 0.36 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1q82 h ILE 83 Cb 0.46 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1q82 h ILE 83 CO -0.32 0.39 0.34 -0.09 0.00 0.00 0.00 178.15 178.47 1q82 h ARG 84 N 0.72 0.67 0.00 2.37 2.43 0.48 -0.36 114.38 120.70 1q82 h ARG 84 Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1q82 h ARG 84 Cb 0.57 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1q82 h ARG 84 CO 0.03 0.44 0.00 0.41 -1.51 0.00 0.00 179.97 179.35 1q82 n GLY 85 N -1.46 -0.92 0.90 2.80 0.00 -0.51 -1.86 105.19 104.13 1q82 n GLY 85 Ca 0.05 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1q82 n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1q82 n MET 86 N -1.66 2.96 -4.26 1.61 2.81 -0.15 -4.96 117.12 113.47 1q82 n MET 86 Ca 0.02 -2.35 -0.19 0.00 -1.81 0.00 0.00 57.70 53.37 1q82 n MET 86 Cb 0.13 -1.47 -0.13 0.00 -0.71 0.00 0.00 33.22 31.05 1q82 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1q82 s LEU 87 N -1.34 2.20 -1.47 4.03 1.43 -0.78 -4.89 118.68 117.87 1q82 s LEU 87 Ca 0.33 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1q82 s LEU 87 Cb 0.20 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.94 1q82 s LEU 87 CO 0.19 -0.02 2.26 -0.81 0.23 0.00 0.00 176.35 178.19 1q82 n PRO 88 N 1.72 2.89 0.00 1.29 -0.04 -1.26 -4.73 135.00 134.87 1q82 n PRO 88 Ca -0.19 -2.59 0.01 0.00 -0.04 0.00 0.00 63.50 60.69 1q82 n PRO 88 Cb 0.55 -3.27 0.04 0.00 -0.04 0.00 0.00 33.50 30.78 1q82 n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1q82 n HIS 89 N 5.99 0.00 0.69 0.54 1.44 -1.26 -1.95 115.22 120.67 1q82 n HIS 89 Ca 0.53 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.31 1q82 n HIS 89 Cb 0.38 -0.06 -0.09 0.00 0.12 0.00 0.00 29.99 30.34 1q82 n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1q82 n LYS 90 N -1.06 1.91 -3.16 -1.40 5.02 -1.26 -4.10 118.16 114.11 1q82 n LYS 90 Ca 0.01 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 1q82 n LYS 90 Cb 0.01 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1q82 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1q82 s LYS 91 N -2.46 3.79 0.12 1.97 1.02 -0.82 -4.94 119.74 118.42 1q82 s LYS 91 Ca 0.05 0.35 -0.27 0.00 0.02 0.00 0.00 55.97 56.13 1q82 s LYS 91 Cb 0.11 -2.52 -0.06 0.00 -0.52 0.00 0.00 37.83 34.84 1q82 s LYS 91 CO 0.63 0.14 1.63 0.37 -0.92 0.00 0.00 175.35 177.20 1q82 h GLN 92 N 1.85 -0.43 -0.14 1.68 4.15 -1.92 -0.93 115.11 119.36 1q82 h GLN 92 Ca -0.47 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.02 1q82 h GLN 92 Cb 1.18 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.91 1q82 h GLN 92 CO 0.66 -0.29 -0.24 -0.09 -1.93 0.00 0.00 178.83 176.94 1q82 h ARG 93 N -0.45 -0.29 -1.00 1.69 2.43 -1.95 -1.38 114.38 113.42 1q82 h ARG 93 Ca 0.05 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1q82 h ARG 93 Cb 0.51 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1q82 h ARG 93 CO -0.21 -0.19 0.66 0.78 -1.51 0.00 0.00 179.97 179.49 1q82 h GLY 94 N -0.30 1.46 2.00 2.80 0.00 -1.56 -0.96 103.07 106.51 1q82 h GLY 94 Ca 0.10 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 1q82 h GLY 94 CO -0.31 0.43 -0.44 -0.09 0.00 0.00 0.00 176.54 176.13 1q82 h ARG 95 N 1.27 0.00 -0.03 4.80 2.43 -0.94 -0.34 114.38 121.58 1q82 h ARG 95 Ca 0.40 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1q82 h ARG 95 Cb -0.01 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1q82 h ARG 95 CO -0.12 0.44 -0.01 0.93 -1.51 0.00 0.00 179.97 179.71 1q82 h GLU 96 N 0.00 0.05 0.07 0.20 5.08 -0.40 -1.25 114.58 118.34 1q82 h GLU 96 Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1q82 h GLU 96 Cb 1.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1q82 h GLU 96 CO 0.06 0.41 -0.03 0.00 -1.00 0.00 0.00 179.01 178.45 1q82 h ALA 97 N 0.64 -0.09 -0.78 3.43 0.00 -1.04 -2.26 119.26 119.16 1q82 h ALA 97 Ca 0.01 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1q82 h ALA 97 Cb 0.39 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1q82 h ALA 97 CO 0.00 -0.47 0.39 0.35 0.00 0.00 0.00 179.25 179.52 1q82 h PHE 98 N -0.26 0.69 0.00 0.00 3.57 -1.09 0.12 116.94 119.97 1q82 h PHE 98 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1q82 h PHE 98 Cb 0.22 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1q82 h PHE 98 CO -0.02 0.21 0.00 0.39 -2.23 0.00 0.00 178.31 176.66 1q82 n GLU 99 N -4.87 0.15 -0.83 1.11 1.02 -0.47 -1.77 120.64 114.98 1q82 n GLU 99 Ca 0.14 0.32 0.04 0.00 -0.02 0.00 0.00 57.16 57.64 1q82 n GLU 99 Cb 0.35 -1.75 0.35 0.00 -0.02 0.00 0.00 31.44 30.37 1q82 n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1q82 n SER 100 N -2.02 5.19 -4.04 1.62 3.41 0.40 -4.84 113.62 113.33 1q82 n SER 100 Ca 0.03 -2.88 -0.24 0.00 -0.26 0.00 0.00 58.87 55.53 1q82 n SER 100 Cb 0.26 -0.68 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 1q82 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1q82 s VAL 101 N -2.62 1.09 -0.01 -3.33 1.01 -0.73 -2.24 120.40 113.58 1q82 s VAL 101 Ca 0.49 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1q82 s VAL 101 Cb 0.38 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1q82 s VAL 101 CO 0.14 0.33 0.01 -0.13 0.00 0.00 0.00 175.10 175.45 1q82 s ARG 102 N 0.37 0.03 -0.02 2.72 0.52 -0.92 -4.98 118.95 116.67 1q82 s ARG 102 Ca -0.08 0.06 -0.01 0.00 -0.52 0.00 0.00 55.73 55.17 1q82 s ARG 102 Cb -0.12 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 1q82 s ARG 102 CO 0.02 -0.06 0.08 0.08 0.02 0.00 0.00 175.30 175.44 1q82 s VAL 103 N 0.42 4.74 0.06 3.52 1.01 -1.26 -0.99 120.40 127.90 1q82 s VAL 103 Ca -0.04 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1q82 s VAL 103 Cb -0.05 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1q82 s VAL 103 CO -0.01 0.40 -0.10 -0.31 0.00 0.00 0.00 175.10 175.08 1q82 s TYR 104 N -1.14 0.91 -0.15 5.22 1.51 0.21 -4.91 117.35 119.00 1q82 s TYR 104 Ca 0.21 -0.50 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 1q82 s TYR 104 Cb -0.12 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 1q82 s TYR 104 CO 0.12 -0.03 0.80 -0.51 -1.11 0.00 0.00 175.55 174.82 1q82 s LEU 105 N -1.73 4.20 0.00 -1.29 1.43 -1.26 -1.56 118.68 118.47 1q82 s LEU 105 Ca -0.05 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1q82 s LEU 105 Cb -0.09 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1q82 s LEU 105 CO 0.01 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1q82 n GLY 106 N 3.40 -0.27 2.72 -3.19 0.00 -1.26 -4.68 105.19 101.91 1q82 n GLY 106 Ca 0.03 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1q82 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q82 s ASN 107 N -4.00 3.34 0.00 1.61 3.04 -1.26 0.69 114.94 118.36 1q82 s ASN 107 Ca 0.00 -1.13 0.20 0.00 0.04 0.00 0.00 52.86 51.97 1q82 s ASN 107 Cb 0.00 -0.66 1.00 0.00 -1.54 0.00 0.00 41.25 40.05 1q82 s ASN 107 CO 0.00 -0.35 1.66 -0.81 -3.04 0.00 0.00 177.10 174.56 1q82 n PRO 108 N 5.00 1.26 -2.93 0.43 -0.04 -1.26 -4.86 135.00 132.60 1q82 n PRO 108 Ca -0.07 -0.39 -0.19 0.00 -0.04 0.00 0.00 63.50 62.81 1q82 n PRO 108 Cb 0.45 -1.33 0.05 0.00 -0.04 0.00 0.00 33.50 32.62 1q82 n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1q82 s TYR 109 N -1.93 2.05 -0.20 0.54 1.51 -1.26 -5.04 117.35 113.03 1q82 s TYR 109 Ca 0.30 -0.49 -0.16 0.00 -1.01 0.00 0.00 57.07 55.71 1q82 s TYR 109 Cb 0.15 -2.42 -0.20 0.00 -0.11 0.00 0.00 41.96 39.38 1q82 s TYR 109 CO 0.24 -0.94 0.18 -0.25 -1.11 0.00 0.00 175.55 173.66 1q82 n ASP 110 N -2.19 1.94 -4.75 2.29 8.00 -1.26 -4.91 116.55 115.67 1q82 n ASP 110 Ca 0.12 0.34 -0.37 0.00 0.71 0.00 0.00 54.79 55.59 1q82 n ASP 110 Cb 0.60 -0.91 0.04 0.00 -0.02 0.00 0.00 41.12 40.83 1q82 n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q82 s GLU 111 N -2.43 3.06 -0.09 -1.24 2.02 -1.26 -4.97 118.70 113.78 1q82 s GLU 111 Ca -0.29 1.98 -0.22 0.00 0.02 0.00 0.00 54.97 56.46 1q82 s GLU 111 Cb 0.07 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1q82 s GLU 111 CO 0.63 -1.17 0.63 -0.51 0.02 0.00 0.00 175.26 174.85 1q82 s ASP 112 N -1.34 6.88 0.93 -0.19 1.11 -1.26 -5.03 116.67 117.77 1q82 s ASP 112 Ca 0.75 1.06 -0.10 0.00 0.18 0.00 0.00 52.55 54.43 1q82 s ASP 112 Cb -0.34 -2.37 0.15 0.00 1.07 0.00 0.00 42.92 41.43 1q82 s ASP 112 CO 0.38 -0.09 1.11 0.61 1.18 0.00 0.00 175.17 178.37 1q82 n GLY 113 N 3.19 -0.51 3.93 0.21 0.00 -1.26 -4.99 105.19 105.76 1q82 n GLY 113 Ca -0.03 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 1q82 n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q82 s GLU 114 N -4.59 3.14 -0.22 1.61 -1.05 0.24 -4.37 118.70 113.45 1q82 s GLU 114 Ca 0.67 -0.21 -0.06 0.00 -0.15 0.00 0.00 54.97 55.21 1q82 s GLU 114 Cb -0.23 -2.45 -0.03 0.00 -0.44 0.00 0.00 34.13 30.98 1q82 s GLU 114 CO 0.59 -0.35 0.04 0.08 0.95 0.00 0.00 175.26 176.56 1q82 s VAL 115 N -2.70 4.17 0.34 1.83 1.01 -1.26 -0.09 120.40 123.69 1q82 s VAL 115 Ca 0.49 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1q82 s VAL 115 Cb -0.10 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1q82 s VAL 115 CO 0.41 0.39 1.06 -0.76 0.00 0.00 0.00 175.10 176.20 1q82 s LEU 116 N 1.26 4.35 0.25 3.92 1.43 -1.26 -4.99 118.68 123.65 1q82 s LEU 116 Ca 0.04 2.13 -0.31 0.00 -1.03 0.00 0.00 54.13 54.97 1q82 s LEU 116 Cb -0.15 -3.90 -0.11 0.00 0.03 0.00 0.00 46.19 42.06 1q82 s LEU 116 CO 0.02 -0.29 1.59 -1.81 0.23 0.00 0.00 176.35 176.08 1q82 s ASP 117 N -1.24 6.45 -0.71 2.29 1.01 -1.26 -3.08 116.67 120.13 1q82 s ASP 117 Ca 0.51 2.84 0.00 0.00 0.71 0.00 0.00 52.55 56.61 1q82 s ASP 117 Cb -0.27 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.04 1q82 s ASP 117 CO 0.34 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.45 1q82 n GLY 118 N 2.68 0.54 0.00 0.21 0.00 -1.26 -4.89 105.19 102.48 1q82 n GLY 118 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1q82 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q82 n THR 119 N -3.35 0.00 -2.63 2.61 -2.24 -1.18 -4.95 114.28 102.55 1q82 n THR 119 Ca -0.08 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1q82 n THR 119 Cb 0.39 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 1q82 n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1q82 s SER 120 N -1.44 7.41 -0.16 3.42 0.15 -1.26 0.89 113.70 122.71 1q82 s SER 120 Ca 0.00 1.97 -0.05 0.00 0.70 0.00 0.00 55.95 58.56 1q82 s SER 120 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1q82 s SER 120 CO 0.02 -0.10 0.03 -0.22 1.20 0.00 0.00 173.24 174.16 1q82 s LEU 121 N -0.41 3.63 -0.74 3.45 2.96 0.13 -4.86 118.68 122.85 1q82 s LEU 121 Ca 0.47 0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 54.20 1q82 s LEU 121 Cb -0.27 -1.89 0.08 0.00 0.50 0.00 0.00 46.19 44.61 1q82 s LEU 121 CO 0.33 0.22 1.05 -0.62 -1.32 0.00 0.00 176.35 176.01 1q82 s ASP 122 N 0.09 6.27 0.43 3.68 -1.08 -1.26 -4.88 116.67 119.92 1q82 s ASP 122 Ca 0.03 -1.16 0.20 0.00 -0.52 0.00 0.00 52.55 51.11 1q82 s ASP 122 Cb -0.13 -2.44 1.16 0.00 -1.46 0.00 0.00 42.92 40.05 1q82 s ASP 122 CO 0.01 -1.42 1.83 0.03 0.52 0.00 0.00 175.17 176.15 1q82 h ARG 123 N 9.50 0.33 0.00 4.34 3.08 -1.95 0.22 114.38 129.89 1q82 h ARG 123 Ca -0.18 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1q82 h ARG 123 Cb 1.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 1q82 h ARG 123 CO 1.19 0.22 -0.15 -0.07 -1.07 0.00 0.00 179.97 180.10 1q82 h LEU 124 N 0.34 0.00 -3.06 3.04 3.38 -2.06 -2.87 115.31 114.07 1q82 h LEU 124 Ca 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 1q82 h LEU 124 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1q82 h LEU 124 CO -0.19 0.15 -0.15 -1.54 0.09 0.00 0.00 178.44 176.80 1q82 n SER 125 N -3.71 2.36 -3.67 -0.43 3.41 0.69 -4.97 113.62 107.30 1q82 n SER 125 Ca -0.02 -3.39 -0.09 0.00 -0.26 0.00 0.00 58.87 55.12 1q82 n SER 125 Cb 0.26 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 1q82 n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1q82 s ASN 126 N -2.84 -0.31 -0.04 4.04 0.01 -0.71 -4.97 114.94 110.12 1q82 s ASN 126 Ca 0.36 0.97 0.06 0.00 -0.71 0.00 0.00 52.86 53.54 1q82 s ASN 126 Cb 0.33 1.21 -0.09 0.00 0.41 0.00 0.00 41.25 43.11 1q82 s ASN 126 CO 0.00 -0.22 0.07 -0.38 -1.51 0.00 0.00 177.10 175.07 1q82 n ILE 127 N 5.12 0.23 -3.17 0.60 5.41 -1.26 -4.63 119.36 121.65 1q82 n ILE 127 Ca -0.12 -0.21 -0.46 0.00 1.00 0.00 0.00 62.75 62.96 1q82 n ILE 127 Cb 0.51 -0.32 -0.02 0.00 -0.71 0.00 0.00 39.64 39.10 1q82 n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1q82 s LYS 128 N -2.28 3.63 0.15 0.38 1.02 -1.26 -4.94 119.74 116.43 1q82 s LYS 128 Ca -0.03 -2.23 -0.25 0.00 0.02 0.00 0.00 55.97 53.49 1q82 s LYS 128 Cb 0.03 -4.63 0.07 0.00 -0.52 0.00 0.00 37.83 32.78 1q82 s LYS 128 CO 0.26 -1.48 0.99 -0.59 -0.92 0.00 0.00 175.35 173.61 1q82 s PHE 129 N 1.09 -0.10 0.04 3.18 -0.12 -1.16 -1.61 117.98 119.31 1q82 s PHE 129 Ca 0.24 -0.21 -0.04 0.00 -0.05 0.00 0.00 56.93 56.87 1q82 s PHE 129 Cb -0.08 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1q82 s PHE 129 CO -0.09 -0.81 0.07 0.08 -0.05 0.00 0.00 175.22 174.42 1q82 s VAL 130 N -3.11 0.14 0.07 -2.49 1.01 -0.38 -4.82 120.40 110.82 1q82 s VAL 130 Ca 0.13 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1q82 s VAL 130 Cb -0.01 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 1q82 s VAL 130 CO 0.02 -0.63 0.50 -0.89 0.00 0.00 0.00 175.10 174.10 1q82 s THR 131 N -2.60 4.88 0.23 3.92 2.01 -1.26 -1.33 115.64 121.49 1q82 s THR 131 Ca -0.05 0.95 -0.07 0.00 0.31 0.00 0.00 61.69 62.83 1q82 s THR 131 Cb -0.01 -3.78 0.18 0.00 0.01 0.00 0.00 72.50 68.89 1q82 s THR 131 CO -0.05 0.47 1.77 -0.07 -0.69 0.00 0.00 174.62 176.05 1q82 h LEU 132 N 4.31 0.41 -1.46 4.42 3.38 -1.37 0.67 115.31 125.66 1q82 h LEU 132 Ca -0.50 0.07 0.09 0.00 0.09 0.00 0.00 57.88 57.63 1q82 h LEU 132 Cb 1.21 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1q82 h LEU 132 CO 0.63 0.23 0.47 1.23 0.09 0.00 0.00 178.44 181.09 1q82 h GLY 133 N 0.55 0.85 0.92 0.83 0.00 -1.60 0.12 103.07 104.74 1q82 h GLY 133 Ca 0.35 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1q82 h GLY 133 CO -0.29 0.15 0.05 0.83 0.00 0.00 0.00 176.54 177.28 1q82 h GLU 134 N 0.61 0.62 -0.71 4.80 5.08 -1.17 -1.60 114.58 122.20 1q82 h GLU 134 Ca 0.32 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1q82 h GLU 134 Cb 0.46 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1q82 h GLU 134 CO -0.11 0.69 0.44 0.82 -1.00 0.00 0.00 179.01 179.85 1q82 h ILE 135 N 0.45 1.20 -0.34 3.13 2.04 -0.27 -2.00 117.51 121.71 1q82 h ILE 135 Ca 0.11 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1q82 h ILE 135 Cb 0.38 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1q82 h ILE 135 CO 0.01 0.20 -0.11 0.28 0.00 0.00 0.00 178.15 178.53 1q82 h SER 136 N 0.96 0.56 -0.29 1.72 0.02 -0.87 -0.22 113.55 115.43 1q82 h SER 136 Ca 0.25 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1q82 h SER 136 Cb -0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1q82 h SER 136 CO -0.05 0.71 0.01 -0.33 -1.14 0.00 0.00 176.83 176.03 1q82 h GLU 137 N 0.53 0.50 -0.90 3.45 5.08 -0.85 0.25 114.58 122.64 1q82 h GLU 137 Ca 0.10 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1q82 h GLU 137 Cb 0.51 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1q82 h GLU 137 CO 0.03 0.65 0.50 1.15 -1.00 0.00 0.00 179.01 180.33 1q82 h THR 138 N 0.30 1.26 0.00 1.13 2.02 -1.07 -1.72 112.91 114.82 1q82 h THR 138 Ca 0.08 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1q82 h THR 138 Cb 0.41 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1q82 h THR 138 CO 0.01 0.29 0.00 -0.07 0.37 0.00 0.00 175.52 176.13 1q82 h LEU 139 N 1.27 0.00 0.00 2.58 3.38 -0.87 -3.46 115.31 118.21 1q82 h LEU 139 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1q82 h LEU 139 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1q82 h LEU 139 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1q82 n GLY 140 N -0.36 0.93 3.46 0.83 0.00 -0.65 -5.08 105.19 104.31 1q82 n GLY 140 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1q82 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 n ALA 141 N -0.95 -2.73 -2.66 4.61 0.00 0.84 -4.94 120.51 114.68 1q82 n ALA 141 Ca 0.00 -0.99 -0.44 0.00 0.00 0.00 0.00 53.44 52.01 1q82 n ALA 141 Cb 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 1q82 n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q82 s ASN 142 N -2.26 6.17 -0.86 0.00 3.84 -1.26 -4.72 114.94 115.85 1q82 s ASN 142 Ca 0.63 -0.98 -0.22 0.00 0.21 0.00 0.00 52.86 52.50 1q82 s ASN 142 Cb -0.21 -2.21 -0.19 0.00 -0.55 0.00 0.00 41.25 38.09 1q82 s ASN 142 CO 0.64 -0.63 2.13 1.17 -2.79 0.00 0.00 177.10 177.62 1q82 n LYS 143 N 5.48 0.26 -0.75 0.43 4.81 -1.26 -4.63 118.16 122.50 1q82 n LYS 143 Ca -0.10 -1.05 -0.04 0.00 -0.87 0.00 0.00 58.31 56.26 1q82 n LYS 143 Cb 0.46 -3.30 0.23 0.00 0.02 0.00 0.00 35.03 32.43 1q82 n LYS 143 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1q82 n THR 144 N 8.23 2.25 -0.88 3.15 5.66 -1.26 -5.22 114.28 126.21 1q82 n THR 144 Ca 0.42 -1.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1q82 n THR 144 Cb 0.43 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1q82 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35