#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 n VAL 2 N 0.00 1.30 0.65 -1.45 0.24 -1.26 -3.82 118.33 113.99 1q81 n VAL 2 Ca 0.00 -0.72 0.11 0.00 -2.04 0.00 0.00 64.34 61.69 1q81 n VAL 2 Cb 0.00 -0.80 0.06 0.00 -1.47 0.00 0.00 33.84 31.63 1q81 n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q81 n TYR 3 N -2.92 0.25 -3.07 6.34 0.18 -1.26 -4.83 117.16 111.85 1q81 n TYR 3 Ca -0.12 0.07 -0.41 0.00 1.88 0.00 0.00 57.90 59.32 1q81 n TYR 3 Cb 0.91 -0.42 -0.06 0.00 -0.38 0.00 0.00 39.34 39.39 1q81 n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1q81 s VAL 4 N -3.16 4.89 -0.98 -3.48 1.01 -1.25 -4.87 120.40 112.56 1q81 s VAL 4 Ca 0.05 0.88 0.09 0.00 0.00 0.00 0.00 61.98 63.00 1q81 s VAL 4 Cb 0.15 -4.05 0.14 0.00 0.00 0.00 0.00 36.38 32.62 1q81 s VAL 4 CO 0.78 -0.20 0.95 0.47 0.00 0.00 0.00 175.10 177.10 1q81 n ASP 5 N 5.99 2.13 -3.64 3.32 8.00 -1.26 -4.77 116.55 126.33 1q81 n ASP 5 Ca 0.00 -1.61 -0.15 0.00 0.71 0.00 0.00 54.79 53.74 1q81 n ASP 5 Cb 0.49 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.44 1q81 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1q81 s PHE 6 N -0.85 -0.59 -0.22 1.24 -0.12 -1.26 -5.13 117.98 111.05 1q81 s PHE 6 Ca 0.14 1.26 -0.12 0.00 -0.05 0.00 0.00 56.93 58.16 1q81 s PHE 6 Cb 0.08 0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 1q81 s PHE 6 CO 0.12 -0.42 0.21 0.34 -0.05 0.00 0.00 175.22 175.42 1q81 s ASP 7 N -0.41 6.20 -0.51 1.98 2.15 -1.26 -4.96 116.67 119.85 1q81 s ASP 7 Ca -0.06 0.22 -0.23 0.00 0.43 0.00 0.00 52.55 52.92 1q81 s ASP 7 Cb -0.03 -2.13 0.04 0.00 -0.30 0.00 0.00 42.92 40.50 1q81 s ASP 7 CO 0.04 0.05 0.84 -0.69 -0.17 0.00 0.00 175.17 175.24 1q81 s VAL 8 N 1.02 4.56 0.34 1.11 1.01 -1.26 -5.03 120.40 122.14 1q81 s VAL 8 Ca 0.10 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 1q81 s VAL 8 Cb -0.13 -4.43 -0.13 0.00 0.00 0.00 0.00 36.38 31.68 1q81 s VAL 8 CO 0.04 -0.94 0.92 -2.65 0.00 0.00 0.00 175.10 172.47 1q81 n PRO 9 N 7.00 1.17 -0.31 2.72 -0.02 -1.26 -4.72 135.00 139.59 1q81 n PRO 9 Ca 0.00 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1q81 n PRO 9 Cb 0.47 -1.81 0.24 0.00 -0.02 0.00 0.00 33.50 32.38 1q81 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q81 h ALA 10 N 1.64 1.04 0.17 3.55 0.00 -2.00 -1.99 119.26 121.67 1q81 h ALA 10 Ca -0.40 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1q81 h ALA 10 Cb 1.35 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1q81 h ALA 10 CO 0.58 -0.50 -0.08 -0.44 0.00 0.00 0.00 179.25 178.81 1q81 h ASP 11 N 0.07 -0.20 -0.56 0.00 3.32 -2.00 -2.26 116.42 114.79 1q81 h ASP 11 Ca 0.53 -0.13 0.11 0.00 0.02 0.00 0.00 57.03 57.55 1q81 h ASP 11 Cb 1.03 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.52 1q81 h ASP 11 CO -0.81 0.01 -0.28 0.25 -1.72 0.00 0.00 179.24 176.70 1q81 h LEU 12 N -0.40 -0.96 -1.23 1.55 6.46 -1.73 0.29 115.31 119.29 1q81 h LEU 12 Ca -0.02 0.21 0.18 0.00 -0.12 0.00 0.00 57.88 58.13 1q81 h LEU 12 Cb 0.31 0.50 -0.09 0.00 -0.73 0.00 0.00 40.66 40.66 1q81 h LEU 12 CO 0.04 -0.28 0.61 -0.08 -0.62 0.00 0.00 178.44 178.11 1q81 h GLU 13 N -0.14 0.63 -0.13 1.25 4.81 -1.26 -0.57 114.58 119.18 1q81 h GLU 13 Ca 0.24 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1q81 h GLU 13 Cb 0.52 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1q81 h GLU 13 CO -0.64 0.42 0.02 -0.44 -0.73 0.00 0.00 179.01 177.64 1q81 h ASP 14 N 0.65 0.20 -0.86 1.04 3.32 0.15 0.79 116.42 121.70 1q81 h ASP 14 Ca 0.52 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 57.36 1q81 h ASP 14 Cb 0.94 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.39 1q81 h ASP 14 CO -0.27 0.40 0.56 0.44 -1.72 0.00 0.00 179.24 178.65 1q81 h ASP 15 N -0.01 0.90 -0.01 6.45 3.32 -0.57 0.19 116.42 126.69 1q81 h ASP 15 Ca 0.04 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1q81 h ASP 15 Cb 0.28 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1q81 h ASP 15 CO 0.00 0.61 0.01 0.00 -1.72 0.00 0.00 179.24 178.14 1q81 h ALA 16 N 1.51 0.02 -0.08 3.45 0.00 -0.78 0.15 119.26 123.53 1q81 h ALA 16 Ca 0.35 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1q81 h ALA 16 Cb 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1q81 h ALA 16 CO -0.11 -0.42 -0.30 -0.07 0.00 0.00 0.00 179.25 178.35 1q81 h LEU 17 N -0.11 0.14 0.09 0.00 3.38 -0.20 -1.24 115.31 117.36 1q81 h LEU 17 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1q81 h LEU 17 Cb 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1q81 h LEU 17 CO -0.00 0.44 -0.04 -0.33 0.09 0.00 0.00 178.44 178.59 1q81 h GLU 18 N 0.13 -0.12 -0.81 1.13 5.08 -0.41 -2.54 114.58 117.04 1q81 h GLU 18 Ca 0.02 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1q81 h GLU 18 Cb 0.59 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1q81 h GLU 18 CO 0.04 0.28 0.54 0.00 -1.00 0.00 0.00 179.01 178.87 1q81 h ALA 19 N 0.31 2.10 -0.46 3.43 0.00 -0.45 -1.11 119.26 123.09 1q81 h ALA 19 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1q81 h ALA 19 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1q81 h ALA 19 CO 0.02 -0.34 -0.20 1.25 0.00 0.00 0.00 179.25 179.99 1q81 h LEU 20 N 0.45 0.93 -0.56 0.00 5.85 -1.01 -2.39 115.31 118.59 1q81 h LEU 20 Ca 0.41 -0.34 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1q81 h LEU 20 Cb 0.92 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1q81 h LEU 20 CO -0.14 1.10 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.49 1q81 h GLU 21 N 0.79 0.91 0.00 1.25 5.08 -0.79 -2.55 114.58 119.28 1q81 h GLU 21 Ca 0.11 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 1q81 h GLU 21 Cb 0.75 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1q81 h GLU 21 CO 0.06 1.04 -0.55 -0.39 -1.00 0.00 0.00 179.01 178.18 1q81 h VAL 22 N 0.78 1.30 0.07 3.13 -1.51 -1.48 -3.08 116.25 115.46 1q81 h VAL 22 Ca 0.10 -1.93 -0.00 0.00 -1.23 0.00 0.00 66.70 63.64 1q81 h VAL 22 Cb 0.79 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1q81 h VAL 22 CO 0.07 0.54 -0.03 0.00 -1.23 0.00 0.00 177.57 176.91 1q81 h ALA 23 N 1.45 -0.09 0.00 5.19 0.00 -1.12 0.58 119.26 125.27 1q81 h ALA 23 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1q81 h ALA 23 Cb 1.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1q81 h ALA 23 CO 0.07 -0.53 -0.04 0.07 0.00 0.00 0.00 179.25 178.82 1q81 h ARG 24 N -0.14 0.00 0.06 0.00 0.11 -1.40 1.54 114.38 114.56 1q81 h ARG 24 Ca -0.01 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.71 1q81 h ARG 24 Cb 0.11 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.16 1q81 h ARG 24 CO 0.02 0.04 -2.10 -0.25 0.10 0.00 0.00 179.97 177.78 1q81 n ASP 25 N -3.55 2.04 -0.05 0.08 8.00 -0.96 -4.65 116.55 117.46 1q81 n ASP 25 Ca -0.02 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.40 1q81 n ASP 25 Cb 0.15 -0.74 -0.13 0.00 -0.02 0.00 0.00 41.12 40.38 1q81 n ASP 25 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1q81 n THR 26 N -3.59 1.67 -0.54 -3.53 -1.04 0.20 -5.03 114.28 102.42 1q81 n THR 26 Ca -0.38 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 1q81 n THR 26 Cb 0.98 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 1q81 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q81 n GLY 27 N 1.75 4.35 3.28 3.41 0.00 0.53 -4.71 105.19 113.80 1q81 n GLY 27 Ca -0.33 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 1q81 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 s ALA 28 N -2.25 1.95 -0.00 4.61 0.00 -0.25 -4.46 121.76 121.36 1q81 s ALA 28 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 1q81 s ALA 28 Cb 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1q81 s ALA 28 CO 0.00 0.46 0.02 0.14 0.00 0.00 0.00 175.76 176.38 1q81 s VAL 29 N -0.74 0.04 -0.15 0.00 -7.23 -1.26 -0.22 120.40 110.84 1q81 s VAL 29 Ca 0.09 -0.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.88 1q81 s VAL 29 Cb -0.09 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.67 1q81 s VAL 29 CO 0.01 -0.19 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.03 1q81 s LYS 30 N -0.56 3.66 -0.14 4.82 -0.14 0.44 -4.84 119.74 122.97 1q81 s LYS 30 Ca -0.06 -0.53 -0.01 0.00 -1.36 0.00 0.00 55.97 54.01 1q81 s LYS 30 Cb -0.04 -2.90 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 1q81 s LYS 30 CO -0.00 0.24 -0.11 0.15 -0.76 0.00 0.00 175.35 174.87 1q81 s LYS 31 N 0.36 3.41 0.00 1.68 1.02 -1.26 0.29 119.74 125.23 1q81 s LYS 31 Ca -0.05 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1q81 s LYS 31 Cb -0.14 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1q81 s LYS 31 CO 0.03 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 1q81 n GLY 32 N 3.70 2.98 0.40 -3.33 0.00 -0.79 -4.70 105.19 103.45 1q81 n GLY 32 Ca -0.18 -1.42 0.19 0.00 0.00 0.00 0.00 46.02 44.61 1q81 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q81 h THR 33 N 0.00 0.69 0.12 2.61 2.02 -1.94 -0.79 112.91 115.63 1q81 h THR 33 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1q81 h THR 33 Cb 0.00 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1q81 h THR 33 CO 0.00 0.07 -0.06 -1.13 0.37 0.00 0.00 175.52 174.77 1q81 h ASN 34 N 0.39 -0.14 -0.39 4.18 -1.24 -1.94 -2.01 115.58 114.44 1q81 h ASN 34 Ca 0.45 -0.43 0.07 0.00 0.71 0.00 0.00 56.30 57.11 1q81 h ASN 34 Cb 1.13 0.04 -0.06 0.00 0.73 0.00 0.00 38.32 40.16 1q81 h ASN 34 CO -0.16 0.46 0.00 -0.33 -1.29 0.00 0.00 177.43 176.11 1q81 h GLU 35 N -0.84 0.10 -0.95 6.67 5.08 -1.76 -0.78 114.58 122.11 1q81 h GLU 35 Ca -0.02 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1q81 h GLU 35 Cb 0.55 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1q81 h GLU 35 CO 0.03 0.07 0.61 1.15 -1.00 0.00 0.00 179.01 179.87 1q81 h THR 36 N 0.11 1.00 -0.63 1.13 2.02 -1.23 -0.62 112.91 114.68 1q81 h THR 36 Ca 0.19 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1q81 h THR 36 Cb 0.27 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1q81 h THR 36 CO -0.32 0.18 0.19 0.74 0.37 0.00 0.00 175.52 176.68 1q81 h THR 37 N 1.00 1.24 0.00 3.16 2.02 -0.39 -1.98 112.91 117.97 1q81 h THR 37 Ca 0.44 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1q81 h THR 37 Cb 0.34 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1q81 h THR 37 CO -0.19 0.32 -0.14 0.11 0.37 0.00 0.00 175.52 175.99 1q81 h LYS 38 N 0.94 0.00 -0.06 6.66 1.57 -0.24 -2.11 116.57 123.33 1q81 h LYS 38 Ca 0.21 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1q81 h LYS 38 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1q81 h LYS 38 CO -0.01 0.14 -0.18 0.77 -0.57 0.00 0.00 179.45 179.61 1q81 h SER 39 N 0.00 0.25 -0.63 0.86 0.02 -0.59 -0.81 113.55 112.65 1q81 h SER 39 Ca -0.00 -0.62 -0.05 0.00 -0.84 0.00 0.00 61.79 60.28 1q81 h SER 39 Cb 0.61 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1q81 h SER 39 CO 0.02 0.83 0.20 0.40 -1.14 0.00 0.00 176.83 177.13 1q81 h ILE 40 N -0.31 1.24 0.08 3.27 2.04 -1.27 0.24 117.51 122.80 1q81 h ILE 40 Ca -0.01 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1q81 h ILE 40 Cb 0.80 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1q81 h ILE 40 CO 0.04 0.33 -0.04 -0.33 0.00 0.00 0.00 178.15 178.15 1q81 h GLU 41 N 0.97 -0.10 0.00 2.37 5.08 -1.42 -3.10 114.58 118.38 1q81 h GLU 41 Ca 0.21 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1q81 h GLU 41 Cb 0.29 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1q81 h GLU 41 CO -0.01 0.27 -0.00 0.00 -1.00 0.00 0.00 179.01 178.27 1q81 h ARG 42 N -0.50 0.00 0.00 2.33 3.08 -0.99 -3.46 114.38 114.84 1q81 h ARG 42 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1q81 h ARG 42 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1q81 h ARG 42 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1q81 n GLY 43 N -0.39 1.68 0.00 0.04 0.00 0.80 -4.90 105.19 102.41 1q81 n GLY 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q81 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q81 n SER 44 N 0.00 0.00 -4.88 1.61 3.41 -0.90 -4.76 113.62 108.10 1q81 n SER 44 Ca 0.00 -1.28 -0.37 0.00 -0.26 0.00 0.00 58.87 56.96 1q81 n SER 44 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1q81 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q81 s ALA 45 N -2.00 3.87 -0.10 7.33 0.00 -1.17 -4.26 121.76 125.43 1q81 s ALA 45 Ca 0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1q81 s ALA 45 Cb 0.01 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1q81 s ALA 45 CO 0.01 0.63 -0.12 0.39 0.00 0.00 0.00 175.76 176.66 1q81 n GLU 46 N 1.83 0.23 -3.68 0.00 1.02 -1.14 -4.89 120.64 114.01 1q81 n GLU 46 Ca -0.18 0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 56.86 1q81 n GLU 46 Cb 0.54 -0.96 -0.17 0.00 -0.02 0.00 0.00 31.44 30.83 1q81 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1q81 s LEU 47 N -6.29 0.19 -0.09 -4.62 2.96 -1.22 -3.68 118.68 105.93 1q81 s LEU 47 Ca -0.14 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1q81 s LEU 47 Cb 0.05 0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.72 1q81 s LEU 47 CO 0.20 -0.23 -0.03 0.68 -1.32 0.00 0.00 176.35 175.65 1q81 s VAL 48 N 2.05 4.07 -0.14 1.68 -7.23 -0.42 0.01 120.40 120.43 1q81 s VAL 48 Ca 0.02 -0.33 -0.05 0.00 -1.81 0.00 0.00 61.98 59.81 1q81 s VAL 48 Cb -0.12 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1q81 s VAL 48 CO -0.04 0.58 0.06 -0.36 -0.31 0.00 0.00 175.10 175.03 1q81 s PHE 49 N -0.62 3.29 -0.11 2.82 0.40 0.53 -1.42 117.98 122.87 1q81 s PHE 49 Ca 0.10 0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 1q81 s PHE 49 Cb -0.12 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.49 1q81 s PHE 49 CO 0.02 0.38 -0.07 0.08 0.70 0.00 0.00 175.22 176.33 1q81 s VAL 50 N -0.34 0.98 0.62 -0.44 1.01 -0.83 -1.05 120.40 120.35 1q81 s VAL 50 Ca 0.09 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1q81 s VAL 50 Cb -0.12 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1q81 s VAL 50 CO 0.02 0.33 1.07 0.00 0.00 0.00 0.00 175.10 176.52 1q81 s ALA 51 N 1.73 2.68 -1.40 5.51 0.00 0.03 -0.62 121.76 129.68 1q81 s ALA 51 Ca 0.05 0.37 0.12 0.00 0.00 0.00 0.00 51.96 52.49 1q81 s ALA 51 Cb -0.13 -3.24 0.11 0.00 0.00 0.00 0.00 23.12 19.87 1q81 s ALA 51 CO -0.08 -0.96 0.90 0.39 0.00 0.00 0.00 175.76 176.01 1q81 n GLU 52 N -2.28 0.81 -0.99 0.00 1.02 0.14 -4.46 120.64 114.88 1q81 n GLU 52 Ca 0.09 -1.27 -0.11 0.00 -0.02 0.00 0.00 57.16 55.85 1q81 n GLU 52 Cb 0.53 -1.23 0.18 0.00 -0.02 0.00 0.00 31.44 30.90 1q81 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1q81 n ASP 53 N 0.64 3.08 -4.67 1.62 5.75 -1.20 -4.57 116.55 117.20 1q81 n ASP 53 Ca 0.07 -3.77 -0.41 0.00 -0.01 0.00 0.00 54.79 50.68 1q81 n ASP 53 Cb 0.30 -0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 39.67 1q81 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1q81 s VAL 54 N -3.43 4.95 -0.06 2.12 1.01 -1.26 -4.91 120.40 118.82 1q81 s VAL 54 Ca 0.48 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 1q81 s VAL 54 Cb 0.43 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1q81 s VAL 54 CO 0.01 0.08 -0.01 -1.58 0.00 0.00 0.00 175.10 173.61 1q81 s GLN 55 N 1.95 0.57 0.19 2.72 -0.44 -1.26 -2.98 119.66 120.41 1q81 s GLN 55 Ca 0.34 0.07 -0.30 0.00 -2.50 0.00 0.00 55.36 52.97 1q81 s GLN 55 Cb -0.16 -0.84 -0.08 0.00 -1.64 0.00 0.00 33.01 30.29 1q81 s GLN 55 CO 0.12 -0.23 1.09 -2.14 0.50 0.00 0.00 175.29 174.63 1q81 s PRO 56 N 1.60 4.61 0.63 1.67 0.02 -1.26 -5.07 135.00 137.20 1q81 s PRO 56 Ca -0.01 1.72 0.27 0.00 0.02 0.00 0.00 61.00 63.00 1q81 s PRO 56 Cb -0.13 -3.27 1.37 0.00 0.02 0.00 0.00 34.50 32.50 1q81 s PRO 56 CO -0.03 0.11 1.79 0.93 -0.33 0.00 0.00 177.00 179.46 1q81 h GLU 57 N 4.92 0.00 -0.94 5.54 5.08 -1.97 -1.93 114.58 125.28 1q81 h GLU 57 Ca -0.45 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1q81 h GLU 57 Cb 1.21 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 1q81 h GLU 57 CO 0.72 0.00 0.51 0.93 -1.00 0.00 0.00 179.01 180.16 1q81 h GLU 58 N 0.00 0.53 -0.03 2.33 3.07 -1.98 -0.95 114.58 117.56 1q81 h GLU 58 Ca 0.13 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.96 1q81 h GLU 58 Cb 1.16 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1q81 h GLU 58 CO -0.00 0.35 0.57 0.82 -1.40 0.00 0.00 179.01 179.35 1q81 h ILE 59 N 0.55 0.01 0.00 3.13 2.04 -1.73 -3.07 117.51 118.44 1q81 h ILE 59 Ca 0.58 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.44 1q81 h ILE 59 Cb 1.05 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1q81 h ILE 59 CO -0.47 0.00 -0.41 0.52 0.00 0.00 0.00 178.15 177.79 1q81 n VAL 60 N -2.78 0.00 -0.30 1.67 0.31 -0.46 -4.87 118.33 111.90 1q81 n VAL 60 Ca -0.01 0.00 0.25 0.00 -0.01 0.00 0.00 64.34 64.57 1q81 n VAL 60 Cb 0.61 0.05 0.40 0.00 -0.91 0.00 0.00 33.84 34.00 1q81 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1q81 n MET 61 N -0.74 -0.02 0.09 5.55 2.81 -0.64 0.12 117.12 124.29 1q81 n MET 61 Ca 0.00 0.68 -0.12 0.00 -1.81 0.00 0.00 57.70 56.45 1q81 n MET 61 Cb 0.05 -1.39 -0.13 0.00 -0.71 0.00 0.00 33.22 31.04 1q81 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1q81 h HIS 62 N 0.00 0.30 -0.62 2.03 2.07 -1.88 -3.39 115.15 113.65 1q81 h HIS 62 Ca 0.50 -0.22 0.06 0.00 -2.85 0.00 0.00 60.37 57.86 1q81 h HIS 62 Cb 1.73 -0.01 -0.07 0.00 2.57 0.00 0.00 27.41 31.63 1q81 h HIS 62 CO -0.00 1.16 -0.37 -0.89 -3.07 0.00 0.00 177.93 174.76 1q81 n ILE 63 N -3.47 -0.42 0.00 6.12 2.08 0.12 -1.78 119.36 122.00 1q81 n ILE 63 Ca -0.05 1.82 0.00 0.00 0.56 0.00 0.00 62.75 65.08 1q81 n ILE 63 Cb 0.99 -2.28 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 1q81 n ILE 63 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1q81 n PRO 64 N -4.49 0.00 -0.26 0.38 -0.02 -1.26 -0.17 135.00 129.18 1q81 n PRO 64 Ca 0.01 0.80 -0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1q81 n PRO 64 Cb 0.16 -1.32 0.12 0.00 -0.02 0.00 0.00 33.50 32.44 1q81 n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1q81 h GLU 65 N 0.00 0.77 -0.05 -0.52 4.81 -1.81 -1.27 114.58 116.51 1q81 h GLU 65 Ca 0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1q81 h GLU 65 Cb 0.00 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 1q81 h GLU 65 CO 0.00 0.51 -0.29 1.25 -0.73 0.00 0.00 179.01 179.74 1q81 h LEU 66 N 0.79 -0.89 -0.59 1.64 5.85 -1.02 -1.29 115.31 119.80 1q81 h LEU 66 Ca 0.33 0.12 0.10 0.00 0.84 0.00 0.00 57.88 59.28 1q81 h LEU 66 Cb 0.19 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1q81 h LEU 66 CO -0.18 -0.35 0.15 0.00 -0.34 0.00 0.00 178.44 177.72 1q81 h ALA 67 N 0.39 0.71 -0.80 1.25 0.00 0.09 -2.18 119.26 118.72 1q81 h ALA 67 Ca 0.08 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1q81 h ALA 67 Cb 0.52 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1q81 h ALA 67 CO -0.29 -0.27 0.37 -0.44 0.00 0.00 0.00 179.25 178.62 1q81 h ASP 68 N 0.30 1.06 0.07 0.00 3.32 -0.62 -0.66 116.42 119.89 1q81 h ASP 68 Ca 0.30 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1q81 h ASP 68 Cb 0.42 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1q81 h ASP 68 CO -0.36 0.91 -0.00 -1.84 -1.72 0.00 0.00 179.24 176.23 1q81 n GLU 69 N -4.33 0.94 -0.07 3.56 0.28 -0.55 -2.37 120.64 118.11 1q81 n GLU 69 Ca 0.07 -0.02 0.03 0.00 -0.16 0.00 0.00 57.16 57.09 1q81 n GLU 69 Cb 0.15 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.59 1q81 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q81 n LYS 70 N -1.01 2.72 -0.02 3.44 4.76 -0.71 -4.98 118.16 122.37 1q81 n LYS 70 Ca 0.23 -1.84 0.00 0.00 -2.87 0.00 0.00 58.31 53.82 1q81 n LYS 70 Cb 0.13 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1q81 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q81 n GLY 71 N -0.42 0.00 3.74 0.72 0.00 -0.34 -4.92 105.19 103.97 1q81 n GLY 71 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1q81 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q81 s VAL 72 N -0.99 2.66 0.36 1.61 1.01 -0.66 -4.94 120.40 119.45 1q81 s VAL 72 Ca 0.00 0.54 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 1q81 s VAL 72 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 1q81 s VAL 72 CO 0.00 0.08 0.97 -2.84 0.00 0.00 0.00 175.10 173.31 1q81 s PRO 73 N -0.10 4.43 0.01 2.72 0.02 -1.24 -4.37 135.00 136.47 1q81 s PRO 73 Ca 0.61 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1q81 s PRO 73 Cb -0.42 -2.65 -0.01 0.00 0.02 0.00 0.00 34.50 31.44 1q81 s PRO 73 CO 0.41 0.13 -0.01 -0.59 -0.33 0.00 0.00 177.00 176.61 1q81 s PHE 74 N -1.71 0.13 -0.01 6.54 -0.12 -1.26 -1.30 117.98 120.25 1q81 s PHE 74 Ca 0.54 -0.25 0.04 0.00 -0.05 0.00 0.00 56.93 57.20 1q81 s PHE 74 Cb -0.18 -0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1q81 s PHE 74 CO 0.23 -0.09 -0.12 -1.50 -0.05 0.00 0.00 175.22 173.69 1q81 s ILE 75 N -0.70 0.98 0.14 -4.49 2.07 -0.50 -4.97 121.20 113.73 1q81 s ILE 75 Ca -0.08 -0.52 -0.26 0.00 -1.41 0.00 0.00 60.65 58.39 1q81 s ILE 75 Cb -0.05 -0.83 -0.07 0.00 0.13 0.00 0.00 42.46 41.64 1q81 s ILE 75 CO -0.00 0.28 0.79 -0.36 -1.91 0.00 0.00 174.94 173.74 1q81 s PHE 76 N -0.22 3.87 -0.02 3.50 2.99 -1.26 -1.97 117.98 124.87 1q81 s PHE 76 Ca 0.03 1.62 0.08 0.00 0.00 0.00 0.00 56.93 58.66 1q81 s PHE 76 Cb -0.06 -2.80 -0.02 0.00 0.00 0.00 0.00 43.02 40.14 1q81 s PHE 76 CO -0.00 0.45 -0.25 0.08 -0.00 0.00 0.00 175.22 175.49 1q81 s VAL 77 N -0.87 2.01 -0.04 -0.44 1.01 0.21 -4.83 120.40 117.45 1q81 s VAL 77 Ca 0.37 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1q81 s VAL 77 Cb -0.23 -1.67 -0.12 0.00 0.00 0.00 0.00 36.38 34.36 1q81 s VAL 77 CO 0.26 0.57 0.77 -0.33 0.00 0.00 0.00 175.10 176.37 1q81 h GLU 78 N 5.55 -0.38 -6.17 2.72 4.39 -1.94 0.42 114.58 119.16 1q81 h GLU 78 Ca -0.42 0.03 -0.56 0.00 0.34 0.00 0.00 59.36 58.75 1q81 h GLU 78 Cb 1.13 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 1q81 h GLU 78 CO 0.47 -0.09 0.05 -0.65 -1.16 0.00 0.00 179.01 177.63 1q81 s GLN 79 N -3.45 4.38 0.25 2.33 -1.52 -1.26 -3.26 119.66 117.13 1q81 s GLN 79 Ca -0.10 0.86 0.12 0.00 -1.95 0.00 0.00 55.36 54.28 1q81 s GLN 79 Cb 0.01 -3.34 0.20 0.00 -0.22 0.00 0.00 33.01 29.65 1q81 s GLN 79 CO 0.36 0.35 1.51 0.37 -0.25 0.00 0.00 175.29 177.63 1q81 h GLN 80 N 5.57 0.00 0.00 2.91 4.15 -1.87 -3.19 115.11 122.68 1q81 h GLN 80 Ca -0.45 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 58.82 1q81 h GLN 80 Cb 1.20 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1q81 h GLN 80 CO 0.70 0.67 -0.73 -0.44 -1.93 0.00 0.00 178.83 177.10 1q81 h ASP 81 N 0.00 0.00 -0.09 -0.69 3.32 -1.91 0.02 116.42 117.07 1q81 h ASP 81 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1q81 h ASP 81 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1q81 h ASP 81 CO 0.09 0.68 -0.02 0.44 -1.72 0.00 0.00 179.24 178.71 1q81 h ASP 82 N 0.00 0.17 0.12 6.45 3.32 -1.93 0.53 116.42 125.09 1q81 h ASP 82 Ca -0.02 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1q81 h ASP 82 Cb 1.53 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 1q81 h ASP 82 CO 0.09 0.50 -0.09 0.25 -1.72 0.00 0.00 179.24 178.27 1q81 h LEU 83 N -0.17 0.00 0.44 1.55 5.85 -1.61 0.84 115.31 122.21 1q81 h LEU 83 Ca 0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1q81 h LEU 83 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1q81 h LEU 83 CO 0.01 0.09 -0.21 1.23 -0.34 0.00 0.00 178.44 179.22 1q81 h GLY 84 N 0.34 -0.62 0.22 3.75 0.00 -1.13 -2.25 103.07 103.38 1q81 h GLY 84 Ca -0.00 0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.63 1q81 h GLY 84 CO 0.01 -0.23 -0.12 0.84 0.00 0.00 0.00 176.54 177.05 1q81 h HIS 85 N -1.12 -0.26 -0.58 5.60 -0.00 0.83 0.07 115.15 119.69 1q81 h HIS 85 Ca -0.06 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.46 1q81 h HIS 85 Cb 0.50 0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 28.05 1q81 h HIS 85 CO 0.01 -0.19 0.39 0.00 -0.00 0.00 0.00 177.93 178.14 1q81 h ALA 86 N 1.30 2.13 0.00 5.26 0.00 0.60 0.13 119.26 128.68 1q81 h ALA 86 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1q81 h ALA 86 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1q81 h ALA 86 CO -0.39 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.58 1q81 n ALA 87 N -2.55 2.17 -0.16 0.00 0.00 -0.06 -3.97 120.51 115.95 1q81 n ALA 87 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1q81 n ALA 87 Cb 0.43 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1q81 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 88 N 1.14 0.91 3.90 0.00 0.00 0.47 -4.96 105.19 106.64 1q81 n GLY 88 Ca 0.06 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1q81 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q81 s LEU 89 N 0.00 4.35 0.00 0.99 1.43 -0.79 -4.99 118.68 119.67 1q81 s LEU 89 Ca 0.00 0.47 0.28 0.00 -1.03 0.00 0.00 54.13 53.85 1q81 s LEU 89 Cb 0.00 -2.81 1.13 0.00 0.03 0.00 0.00 46.19 44.54 1q81 s LEU 89 CO 0.00 0.21 1.85 1.21 0.23 0.00 0.00 176.35 179.85 1q81 n GLU 90 N 0.77 0.01 -3.52 1.70 2.13 -1.26 -3.63 120.64 116.84 1q81 n GLU 90 Ca -0.09 -0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.51 1q81 n GLU 90 Cb 0.52 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.73 1q81 n GLU 90 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1q81 n VAL 91 N -1.49 0.00 -1.98 6.31 0.31 -1.26 -5.01 118.33 115.22 1q81 n VAL 91 Ca 0.07 -1.87 -0.11 0.00 -0.01 0.00 0.00 64.34 62.42 1q81 n VAL 91 Cb 0.34 -0.07 0.07 0.00 -0.91 0.00 0.00 33.84 33.26 1q81 n VAL 91 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q81 n GLY 92 N -0.65 -0.14 3.53 2.92 0.00 -1.26 -4.07 105.19 105.52 1q81 n GLY 92 Ca -0.02 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 1q81 n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q81 s SER 93 N -2.92 -0.85 0.17 1.61 0.15 -0.04 -4.70 113.70 107.14 1q81 s SER 93 Ca 0.31 1.37 -0.11 0.00 0.70 0.00 0.00 55.95 58.22 1q81 s SER 93 Cb -0.01 1.66 0.07 0.00 -1.71 0.00 0.00 66.02 66.02 1q81 s SER 93 CO 0.21 -0.22 1.68 0.00 1.20 0.00 0.00 173.24 176.10 1q81 h ALA 94 N 7.61 0.80 -2.52 5.45 0.00 -1.96 -3.39 119.26 125.25 1q81 h ALA 94 Ca -0.24 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1q81 h ALA 94 Cb 1.15 -0.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 1q81 h ALA 94 CO 0.15 0.52 -0.41 0.00 0.00 0.00 0.00 179.25 179.51 1q81 s ALA 95 N -5.29 -0.22 -0.02 0.00 0.00 -1.26 -0.79 121.76 114.19 1q81 s ALA 95 Ca -0.12 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1q81 s ALA 95 Cb 0.13 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1q81 s ALA 95 CO 0.82 -0.43 0.25 0.00 0.00 0.00 0.00 175.76 176.40 1q81 s ALA 96 N -3.31 -0.63 -0.07 0.00 0.00 -0.21 -1.89 121.76 115.64 1q81 s ALA 96 Ca 0.01 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1q81 s ALA 96 Cb 0.02 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1q81 s ALA 96 CO -0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 175.76 175.37 1q81 s ALA 97 N -1.21 1.08 -0.86 0.00 0.00 0.14 0.20 121.76 121.12 1q81 s ALA 97 Ca -0.13 -0.33 -0.22 0.00 0.00 0.00 0.00 51.96 51.28 1q81 s ALA 97 Cb -0.06 -0.64 0.08 0.00 0.00 0.00 0.00 23.12 22.50 1q81 s ALA 97 CO 0.03 -0.11 1.19 0.08 0.00 0.00 0.00 175.76 176.95 1q81 s VAL 98 N 1.12 4.26 -1.01 0.00 1.01 0.10 0.17 120.40 126.05 1q81 s VAL 98 Ca -0.07 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 1q81 s VAL 98 Cb -0.14 -4.85 0.07 0.00 0.00 0.00 0.00 36.38 31.46 1q81 s VAL 98 CO -0.01 -1.66 1.38 0.28 0.00 0.00 0.00 175.10 175.09 1q81 s THR 99 N 4.10 4.15 -0.08 3.92 -1.32 0.70 -2.87 115.64 124.23 1q81 s THR 99 Ca 0.34 -1.05 -0.01 0.00 -1.21 0.00 0.00 61.69 59.76 1q81 s THR 99 Cb -0.07 -4.99 0.00 0.00 -1.51 0.00 0.00 72.50 65.93 1q81 s THR 99 CO -0.01 -1.83 0.02 0.47 -2.21 0.00 0.00 174.62 171.06 1q81 n ASP 100 N 8.23 -3.24 -2.98 8.08 9.92 -1.25 -3.41 116.55 131.89 1q81 n ASP 100 Ca 0.32 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.99 1q81 n ASP 100 Cb 0.50 -2.27 0.00 0.00 -0.64 0.00 0.00 41.12 38.71 1q81 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q81 n ALA 101 N 0.28 0.00 -3.29 2.24 0.00 -1.26 -1.09 120.51 117.38 1q81 n ALA 101 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1q81 n ALA 101 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 1q81 n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q81 s GLY 102 N -0.82 -0.46 -1.46 0.00 0.00 -1.26 -3.98 107.32 99.34 1q81 s GLY 102 Ca 0.00 2.64 -0.06 0.00 0.00 0.00 0.00 44.72 47.30 1q81 s GLY 102 CO 0.00 3.44 0.54 0.00 0.00 0.00 0.00 173.10 177.09 1q81 n ALA 103 N 5.28 -1.00 -1.59 3.20 0.00 -1.26 -4.17 120.51 120.97 1q81 n ALA 103 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1q81 n ALA 103 Cb 0.52 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1q81 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q81 n ALA 104 N -3.49 0.59 0.32 0.00 0.00 -1.26 -4.92 120.51 111.74 1q81 n ALA 104 Ca -0.08 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.54 1q81 n ALA 104 Cb 0.60 0.00 1.00 0.00 0.00 0.00 0.00 19.45 21.04 1q81 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q81 h ALA 105 N 0.00 1.12 -1.01 0.00 0.00 -1.91 0.45 119.26 117.91 1q81 h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q81 h ALA 105 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1q81 h ALA 105 CO 0.00 -0.12 0.00 2.41 0.00 0.00 0.00 179.25 181.54 1q81 n THR 106 N -2.90 0.00 -0.36 0.00 -1.04 -1.26 -2.62 114.28 106.11 1q81 n THR 106 Ca -0.02 0.33 0.08 0.00 -2.04 0.00 0.00 64.05 62.40 1q81 n THR 106 Cb 0.18 -1.07 0.18 0.00 -1.82 0.00 0.00 70.33 67.80 1q81 n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1q81 h VAL 107 N 0.00 0.00 0.28 12.58 2.07 -1.88 0.27 116.25 129.57 1q81 h VAL 107 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1q81 h VAL 107 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1q81 h VAL 107 CO 0.00 0.00 -0.40 0.25 0.02 0.00 0.00 177.57 177.44 1q81 h LEU 108 N 0.00 -1.13 -1.10 2.57 5.85 -0.28 -1.22 115.31 120.00 1q81 h LEU 108 Ca 0.51 0.11 0.21 0.00 0.84 0.00 0.00 57.88 59.55 1q81 h LEU 108 Cb 0.86 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 1q81 h LEU 108 CO -1.01 -0.52 0.62 -0.08 -0.34 0.00 0.00 178.44 177.11 1q81 h GLU 109 N -0.74 0.63 -0.02 1.25 4.81 -0.27 0.39 114.58 120.62 1q81 h GLU 109 Ca -0.01 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1q81 h GLU 109 Cb 0.70 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1q81 h GLU 109 CO -0.13 0.42 -0.63 0.93 -0.73 0.00 0.00 179.01 178.87 1q81 h GLU 110 N 0.65 0.08 -0.37 1.92 5.08 -0.72 -2.54 114.58 118.68 1q81 h GLU 110 Ca 0.58 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.83 1q81 h GLU 110 Cb 1.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1q81 h GLU 110 CO -0.37 0.68 0.01 0.82 -1.00 0.00 0.00 179.01 179.15 1q81 h ILE 111 N 0.06 1.26 -0.29 3.13 2.04 0.24 0.21 117.51 124.15 1q81 h ILE 111 Ca -0.01 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 64.96 1q81 h ILE 111 Cb 1.12 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1q81 h ILE 111 CO 0.09 0.32 0.21 0.00 0.00 0.00 0.00 178.15 178.77 1q81 h ALA 112 N 0.87 2.26 0.00 1.87 0.00 -1.12 -0.30 119.26 122.84 1q81 h ALA 112 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1q81 h ALA 112 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1q81 h ALA 112 CO 0.02 -0.34 -0.04 -0.44 0.00 0.00 0.00 179.25 178.45 1q81 h ASP 113 N 0.02 0.03 -0.93 0.00 3.32 -0.92 -2.59 116.42 115.34 1q81 h ASP 113 Ca 0.14 -0.92 0.19 0.00 0.02 0.00 0.00 57.03 56.46 1q81 h ASP 113 Cb 0.53 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.97 1q81 h ASP 113 CO -0.00 0.94 0.51 0.11 -1.72 0.00 0.00 179.24 179.08 1q81 h LYS 114 N -0.88 0.61 -0.06 3.56 1.57 0.42 0.08 116.57 121.86 1q81 h LYS 114 Ca -0.01 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1q81 h LYS 114 Cb 0.95 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.13 1q81 h LYS 114 CO 0.01 0.40 -0.49 0.28 -0.57 0.00 0.00 179.45 179.07 1q81 h VAL 115 N 0.62 1.40 -0.63 0.50 2.07 -1.20 -0.09 116.25 118.93 1q81 h VAL 115 Ca 0.55 -1.89 0.18 0.00 0.82 0.00 0.00 66.70 66.36 1q81 h VAL 115 Cb 0.90 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1q81 h VAL 115 CO -0.42 0.56 0.47 -0.33 0.02 0.00 0.00 177.57 177.87 1q81 h GLU 116 N -0.02 0.00 0.00 1.57 4.39 -0.82 0.82 114.58 120.51 1q81 h GLU 116 Ca -0.05 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 1q81 h GLU 116 Cb 1.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 1q81 h GLU 116 CO 0.10 0.00 -1.08 0.93 -1.16 0.00 0.00 179.01 177.80 1q81 h GLU 117 N 0.00 0.00 0.00 2.33 5.08 -0.84 -3.08 114.58 118.07 1q81 h GLU 117 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1q81 h GLU 117 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1q81 h GLU 117 CO -0.00 0.45 0.00 -0.11 -1.00 0.00 0.00 179.01 178.35 1q81 n LEU 118 N -3.07 0.00 0.00 1.33 7.94 0.28 -5.09 117.00 118.39 1q81 n LEU 118 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1q81 n LEU 118 Cb 0.83 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.78 1q81 n LEU 118 CO 0.43 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.57