#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s LYS 2 N 0.00 4.25 -0.18 4.33 -0.14 -1.26 -4.96 119.74 121.77 1q86 s LYS 2 Ca 0.00 1.60 -0.05 0.00 -1.36 0.00 0.00 55.97 56.16 1q86 s LYS 2 Cb 0.00 -2.69 -0.22 0.00 -1.68 0.00 0.00 37.83 33.25 1q86 s LYS 2 CO 0.00 -0.08 0.10 2.41 -0.76 0.00 0.00 175.35 177.02 1q86 n THR 3 N 0.20 1.65 -1.78 2.17 -1.04 -1.26 -4.91 114.28 109.30 1q86 n THR 3 Ca 0.04 -0.58 -0.42 0.00 -2.04 0.00 0.00 64.05 61.05 1q86 n THR 3 Cb 0.48 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.32 1q86 n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1q86 s ASN 4 N -6.86 6.48 0.20 8.00 3.84 -1.26 -4.89 114.94 120.46 1q86 s ASN 4 Ca -0.28 2.67 -0.02 0.00 0.21 0.00 0.00 52.86 55.44 1q86 s ASN 4 Cb 0.08 -2.56 0.16 0.00 -0.55 0.00 0.00 41.25 38.37 1q86 s ASN 4 CO 0.68 -0.97 1.53 -0.65 -2.79 0.00 0.00 177.10 174.91 1q86 h PRO 5 N 8.55 0.51 0.54 0.43 0.11 -1.98 -1.98 132.00 138.18 1q86 h PRO 5 Ca -0.45 -0.31 -0.03 0.00 0.11 0.00 0.00 66.00 65.32 1q86 h PRO 5 Cb 1.21 0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1q86 h PRO 5 CO 0.94 0.91 -0.26 0.00 -0.21 0.00 0.00 178.00 179.38 1q86 h ARG 6 N 0.40 -0.70 -0.83 1.05 3.08 -1.99 -0.93 114.38 114.47 1q86 h ARG 6 Ca 0.01 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1q86 h ARG 6 Cb 1.05 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1q86 h ARG 6 CO 0.10 -0.40 0.54 1.25 -1.07 0.00 0.00 179.97 180.39 1q86 h LEU 7 N -0.91 0.79 -0.55 3.04 5.85 -1.97 0.20 115.31 121.77 1q86 h LEU 7 Ca -0.07 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1q86 h LEU 7 Cb 0.62 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1q86 h LEU 7 CO 0.12 0.50 0.30 -1.28 -0.34 0.00 0.00 178.44 177.74 1q86 h SER 8 N 0.89 0.68 -0.05 1.25 0.87 -1.17 -1.98 113.55 114.04 1q86 h SER 8 Ca 0.36 -0.09 -0.25 0.00 -1.23 0.00 0.00 61.79 60.57 1q86 h SER 8 Cb 0.25 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1q86 h SER 8 CO -0.13 0.58 -0.96 0.28 -0.53 0.00 0.00 176.83 176.07 1q86 h SER 9 N 0.73 0.93 -0.59 6.23 0.02 -0.18 -2.82 113.55 117.88 1q86 h SER 9 Ca 0.19 -0.70 0.10 0.00 -0.84 0.00 0.00 61.79 60.54 1q86 h SER 9 Cb 0.05 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 62.23 1q86 h SER 9 CO -0.03 1.50 0.15 0.25 -1.14 0.00 0.00 176.83 177.57 1q86 h LEU 10 N 0.45 0.07 -0.68 5.07 5.85 -0.51 0.65 115.31 126.21 1q86 h LEU 10 Ca -0.10 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1q86 h LEU 10 Cb 1.60 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 1q86 h LEU 10 CO 0.19 0.05 0.45 0.40 -0.34 0.00 0.00 178.44 179.19 1q86 h ILE 11 N 0.30 1.17 -0.50 4.05 2.04 -1.35 0.11 117.51 123.33 1q86 h ILE 11 Ca 0.30 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1q86 h ILE 11 Cb 0.43 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1q86 h ILE 11 CO -0.36 0.17 0.15 0.00 0.00 0.00 0.00 178.15 178.10 1q86 h ALA 12 N 1.25 1.32 -0.17 1.87 0.00 -0.88 -2.35 119.26 120.30 1q86 h ALA 12 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1q86 h ALA 12 Cb -0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1q86 h ALA 12 CO -0.05 0.49 -0.20 -0.44 0.00 0.00 0.00 179.25 179.04 1q86 h ASP 13 N 0.73 0.47 -0.69 0.00 3.32 -0.02 -2.25 116.42 117.98 1q86 h ASP 13 Ca 0.17 -0.50 0.19 0.00 0.02 0.00 0.00 57.03 56.91 1q86 h ASP 13 Cb 0.23 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1q86 h ASP 13 CO -0.01 0.87 0.49 -0.07 -1.72 0.00 0.00 179.24 178.81 1q86 h LEU 14 N 0.08 0.05 0.22 1.55 3.38 -0.51 -1.42 115.31 118.66 1q86 h LEU 14 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1q86 h LEU 14 Cb 0.75 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1q86 h LEU 14 CO 0.05 0.02 -0.11 0.11 0.09 0.00 0.00 178.44 178.61 1q86 h LYS 15 N 0.05 -0.28 -1.42 1.13 1.57 -1.21 -2.62 116.57 113.79 1q86 h LYS 15 Ca 0.33 0.02 0.41 0.00 -1.87 0.00 0.00 60.65 59.54 1q86 h LYS 15 Cb 1.24 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.56 1q86 h LYS 15 CO -0.02 -0.18 1.07 1.03 -0.57 0.00 0.00 179.45 180.78 1q86 h SER 16 N -1.08 0.00 0.23 0.86 0.87 -0.89 0.73 113.55 114.27 1q86 h SER 16 Ca -0.03 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.23 1q86 h SER 16 Cb 0.24 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1q86 h SER 16 CO 0.05 0.00 -1.34 0.00 -0.53 0.00 0.00 176.83 175.01 1q86 h ALA 17 N 1.20 -0.14 0.00 6.23 0.00 -1.31 -2.72 119.26 122.51 1q86 h ALA 17 Ca 0.67 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1q86 h ALA 17 Cb 2.80 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 20.74 1q86 h ALA 17 CO -0.01 0.62 -0.46 0.00 0.00 0.00 0.00 179.25 179.41 1q86 h ALA 18 N 0.13 1.13 0.01 0.00 0.00 0.76 -2.11 119.26 119.18 1q86 h ALA 18 Ca -0.23 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 1q86 h ALA 18 Cb 2.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1q86 h ALA 18 CO 0.25 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 180.06 1q86 h ARG 19 N 0.00 -0.02 0.00 0.00 3.08 -1.06 -3.36 114.38 113.03 1q86 h ARG 19 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1q86 h ARG 19 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1q86 h ARG 19 CO 0.06 0.35 0.00 0.43 -1.07 0.00 0.00 179.97 179.74 1q86 n SER 20 N -4.73 0.00 -4.49 7.04 7.64 -1.03 -4.74 113.62 113.31 1q86 n SER 20 Ca -0.04 0.66 -0.28 0.00 1.01 0.00 0.00 58.87 60.22 1q86 n SER 20 Cb 0.18 -0.19 0.25 0.00 -1.01 0.00 0.00 64.21 63.44 1q86 n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1q86 s SER 21 N -1.98 0.91 -0.02 6.43 0.01 -0.79 -4.86 113.70 113.40 1q86 s SER 21 Ca 0.00 1.49 0.03 0.00 1.31 0.00 0.00 55.95 58.78 1q86 s SER 21 Cb 0.00 -2.28 0.11 0.00 0.21 0.00 0.00 66.02 64.05 1q86 s SER 21 CO 0.00 -4.24 0.88 0.61 0.41 0.00 0.00 173.24 170.90 1q86 n GLY 22 N 0.78 0.63 3.77 3.44 0.00 -1.26 -4.60 105.19 107.94 1q86 n GLY 22 Ca 0.03 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1q86 n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q86 s GLY 23 N -0.55 2.85 -0.02 -0.02 0.00 -1.26 -4.92 107.32 103.41 1q86 s GLY 23 Ca 0.08 1.45 0.03 0.00 0.00 0.00 0.00 44.72 46.28 1q86 s GLY 23 CO 0.04 2.17 0.03 0.00 0.00 0.00 0.00 173.10 175.33 1q86 n ALA 24 N 0.84 1.99 -0.20 3.20 0.00 -1.26 -4.43 120.51 120.64 1q86 n ALA 24 Ca 0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1q86 n ALA 24 Cb 0.40 0.10 0.02 0.00 0.00 0.00 0.00 19.45 19.97 1q86 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1q86 h VAL 25 N 0.00 1.27 -0.62 0.00 -1.51 -1.91 -1.25 116.25 112.22 1q86 h VAL 25 Ca -0.05 -1.18 -0.03 0.00 -1.23 0.00 0.00 66.70 64.21 1q86 h VAL 25 Cb 0.82 0.85 -0.03 0.00 -2.13 0.00 0.00 31.29 30.81 1q86 h VAL 25 CO 0.00 0.43 0.27 -0.50 -1.23 0.00 0.00 177.57 176.54 1q86 h TRP 26 N 0.95 0.92 0.00 5.19 -0.00 -1.84 0.48 115.95 121.65 1q86 h TRP 26 Ca 0.16 -0.06 -0.08 0.00 -0.00 0.00 0.00 58.89 58.92 1q86 h TRP 26 Cb 0.59 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.46 1q86 h TRP 26 CO 0.04 0.72 -0.37 0.78 -0.00 0.00 0.00 178.44 179.62 1q86 h GLY 27 N 0.86 0.00 1.24 1.49 0.00 -1.66 -0.09 103.07 104.92 1q86 h GLY 27 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.27 1q86 h GLY 27 CO -0.02 0.00 -1.08 -1.80 0.00 0.00 0.00 176.54 173.64 1q86 h ASP 28 N 0.00 0.88 0.50 0.19 3.58 -0.40 -2.71 116.42 118.46 1q86 h ASP 28 Ca -0.00 -0.73 -0.17 0.00 0.42 0.00 0.00 57.03 56.55 1q86 h ASP 28 Cb 0.80 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1q86 h ASP 28 CO 0.05 1.53 -0.72 0.58 -2.88 0.00 0.00 179.24 177.79 1q86 h VAL 29 N 0.36 1.45 -0.56 2.25 2.07 0.11 -2.70 116.25 119.23 1q86 h VAL 29 Ca -0.14 -2.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.06 1q86 h VAL 29 Cb 1.74 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 33.71 1q86 h VAL 29 CO 0.21 0.67 0.25 0.00 0.02 0.00 0.00 177.57 178.71 1q86 h ALA 30 N 1.13 0.72 0.17 1.67 0.00 -1.01 -1.39 119.26 120.54 1q86 h ALA 30 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1q86 h ALA 30 Cb 1.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1q86 h ALA 30 CO 0.11 0.31 -0.08 0.93 0.00 0.00 0.00 179.25 180.52 1q86 h GLU 31 N 0.76 -0.22 -0.78 0.00 5.08 -1.42 -1.57 114.58 116.44 1q86 h GLU 31 Ca 0.19 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.68 1q86 h GLU 31 Cb 0.16 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1q86 h GLU 31 CO -0.02 0.04 0.51 -0.09 -1.00 0.00 0.00 179.01 178.45 1q86 h ARG 32 N -0.46 0.58 0.00 2.33 9.65 -1.34 0.94 114.38 126.09 1q86 h ARG 32 Ca -0.02 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.72 1q86 h ARG 32 Cb 0.36 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1q86 h ARG 32 CO 0.04 0.38 -0.49 -0.07 2.80 0.00 0.00 179.97 182.63 1q86 h LEU 33 N 0.59 0.00 -0.16 3.80 3.38 -0.99 -2.37 115.31 119.56 1q86 h LEU 33 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1q86 h LEU 33 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1q86 h LEU 33 CO -0.14 0.49 0.00 -0.62 0.09 0.00 0.00 178.44 178.26 1q86 n GLU 34 N -3.80 0.09 -2.34 1.13 1.02 0.29 -4.77 120.64 112.26 1q86 n GLU 34 Ca -0.01 0.22 -0.28 0.00 -0.02 0.00 0.00 57.16 57.07 1q86 n GLU 34 Cb 0.53 -1.64 0.02 0.00 -0.02 0.00 0.00 31.44 30.33 1q86 n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1q86 s LYS 35 N -3.09 3.28 0.17 3.49 1.02 -0.89 -4.99 119.74 118.73 1q86 s LYS 35 Ca 0.09 0.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.04 1q86 s LYS 35 Cb 0.12 -2.25 -0.17 0.00 -0.52 0.00 0.00 37.83 35.01 1q86 s LYS 35 CO 0.42 -0.52 0.65 -2.30 -0.92 0.00 0.00 175.35 172.68 1q86 n PRO 36 N -2.53 0.07 -0.35 -1.68 -0.02 -1.26 -4.79 135.00 124.44 1q86 n PRO 36 Ca 0.03 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.66 1q86 n PRO 36 Cb 0.56 -1.14 0.31 0.00 -0.02 0.00 0.00 33.50 33.21 1q86 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q86 h ARG 37 N 1.44 0.79 -0.25 -0.52 3.08 -1.94 0.69 114.38 117.67 1q86 h ARG 37 Ca -0.33 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 59.73 1q86 h ARG 37 Cb 1.43 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1q86 h ARG 37 CO 0.59 0.52 0.17 0.07 -1.07 0.00 0.00 179.97 180.25 1q86 h ARG 38 N 0.81 0.11 0.00 0.04 0.11 -2.01 0.12 114.38 113.56 1q86 h ARG 38 Ca 0.56 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.63 1q86 h ARG 38 Cb 0.81 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1q86 h ARG 38 CO -0.35 0.07 0.00 0.25 0.10 0.00 0.00 179.97 180.04 1q86 n THR 39 N -4.48 0.22 -1.02 0.08 -2.24 0.23 -4.86 114.28 102.20 1q86 n THR 39 Ca 0.02 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1q86 n THR 39 Cb 0.25 -0.56 0.19 0.00 -2.10 0.00 0.00 70.33 68.11 1q86 n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q86 s HIS 40 N -3.03 1.95 0.11 4.78 3.76 0.03 -4.99 115.29 117.90 1q86 s HIS 40 Ca 0.13 1.11 -0.27 0.00 -0.15 0.00 0.00 55.06 55.87 1q86 s HIS 40 Cb 0.17 -3.21 -0.06 0.00 1.11 0.00 0.00 32.58 30.59 1q86 s HIS 40 CO 0.53 -3.03 0.86 0.00 -0.85 0.00 0.00 174.74 172.25 1q86 s ALA 41 N -2.83 3.33 -0.44 -1.40 0.00 -1.18 -4.97 121.76 114.27 1q86 s ALA 41 Ca 0.66 0.44 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1q86 s ALA 41 Cb -0.20 -3.12 0.15 0.00 0.00 0.00 0.00 23.12 19.95 1q86 s ALA 41 CO 0.59 0.08 0.29 -1.21 0.00 0.00 0.00 175.76 175.51 1q86 s GLU 42 N -0.34 1.13 -0.03 0.00 2.02 -1.25 0.45 118.70 120.68 1q86 s GLU 42 Ca 0.41 -2.01 -0.00 0.00 0.02 0.00 0.00 54.97 53.39 1q86 s GLU 42 Cb -0.23 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 1q86 s GLU 42 CO 0.27 -1.25 0.02 0.08 0.02 0.00 0.00 175.26 174.40 1q86 s VAL 43 N 0.25 4.32 0.31 2.63 1.01 -0.41 -4.94 120.40 123.58 1q86 s VAL 43 Ca 0.22 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1q86 s VAL 43 Cb -0.14 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1q86 s VAL 43 CO -0.07 0.45 0.42 0.20 0.00 0.00 0.00 175.10 176.11 1q86 s ASN 44 N -1.35 6.02 0.22 3.32 0.01 -1.26 0.15 114.94 122.05 1q86 s ASN 44 Ca 0.18 -0.14 -0.08 0.00 -0.71 0.00 0.00 52.86 52.12 1q86 s ASN 44 Cb -0.12 -1.39 0.28 0.00 0.41 0.00 0.00 41.25 40.43 1q86 s ASN 44 CO 0.08 -0.32 1.82 -0.07 -1.51 0.00 0.00 177.10 177.11 1q86 h LEU 45 N 1.01 0.67 -1.86 0.60 3.38 -0.63 -2.47 115.31 115.99 1q86 h LEU 45 Ca -0.47 0.02 0.33 0.00 0.09 0.00 0.00 57.88 57.85 1q86 h LEU 45 Cb 1.25 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1q86 h LEU 45 CO 0.55 0.43 0.91 1.23 0.09 0.00 0.00 178.44 181.65 1q86 h GLY 46 N 0.80 0.00 0.00 0.83 0.00 -1.55 -1.18 103.07 101.96 1q86 h GLY 46 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 1q86 h GLY 46 CO -0.18 0.00 -0.29 -0.09 0.00 0.00 0.00 176.54 175.98 1q86 h ARG 47 N 0.00 0.00 -0.80 4.80 2.43 -1.75 -3.18 114.38 115.88 1q86 h ARG 47 Ca 0.54 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.88 1q86 h ARG 47 Cb 2.36 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 31.80 1q86 h ARG 47 CO -0.01 0.76 0.30 0.82 -1.51 0.00 0.00 179.97 180.33 1q86 h ILE 48 N -1.00 0.55 -0.70 1.20 2.04 -1.33 0.14 117.51 118.42 1q86 h ILE 48 Ca -0.07 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1q86 h ILE 48 Cb 0.86 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1q86 h ILE 48 CO -0.04 0.07 0.46 -0.08 0.00 0.00 0.00 178.15 178.56 1q86 h GLU 49 N 0.38 0.92 0.00 2.37 4.57 -1.39 -0.88 114.58 120.56 1q86 h GLU 49 Ca 0.46 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.46 1q86 h GLU 49 Cb 0.79 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1q86 h GLU 49 CO -0.48 0.61 -0.60 -0.09 -1.18 0.00 0.00 179.01 177.27 1q86 h ARG 50 N 0.95 0.00 0.00 1.92 2.43 -0.71 -3.37 114.38 115.60 1q86 h ARG 50 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1q86 h ARG 50 Cb -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1q86 h ARG 50 CO -0.06 0.60 0.00 0.66 -1.51 0.00 0.00 179.97 179.66 1q86 n TYR 51 N -3.56 0.00 -2.37 2.20 0.53 -0.97 -5.06 117.16 107.93 1q86 n TYR 51 Ca -0.00 -0.05 -0.25 0.00 -1.02 0.00 0.00 57.90 56.58 1q86 n TYR 51 Cb 0.66 -0.01 0.05 0.00 -1.03 0.00 0.00 39.34 39.01 1q86 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1q86 s ALA 52 N -0.10 3.39 -0.19 -0.72 0.00 -0.34 -5.08 121.76 118.71 1q86 s ALA 52 Ca 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1q86 s ALA 52 Cb 0.00 -2.46 0.05 0.00 0.00 0.00 0.00 23.12 20.71 1q86 s ALA 52 CO 0.00 -1.04 0.49 1.14 0.00 0.00 0.00 175.76 176.35 1q86 s GLN 53 N -5.06 0.56 0.54 0.00 -2.07 -1.26 -4.98 119.66 107.38 1q86 s GLN 53 Ca 0.58 0.71 -0.19 0.00 -1.82 0.00 0.00 55.36 54.64 1q86 s GLN 53 Cb -0.11 0.24 -0.09 0.00 -1.09 0.00 0.00 33.01 31.96 1q86 s GLN 53 CO 0.43 -0.08 0.60 0.39 -1.32 0.00 0.00 175.29 175.30 1q86 n GLU 54 N 3.03 0.61 -1.17 9.60 1.02 -1.26 -2.34 120.64 130.13 1q86 n GLU 54 Ca -0.15 0.23 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 1q86 n GLU 54 Cb 0.57 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1q86 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1q86 n ASP 55 N 0.52 -4.88 -3.78 1.62 8.00 -1.26 -4.95 116.55 111.82 1q86 n ASP 55 Ca 0.12 0.15 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1q86 n ASP 55 Cb 0.46 -2.90 -0.15 0.00 -0.02 0.00 0.00 41.12 38.51 1q86 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1q86 s GLU 56 N -2.12 0.87 -0.00 -1.24 2.12 -0.99 -4.95 118.70 112.40 1q86 s GLU 56 Ca 0.00 -0.92 -0.32 0.00 0.36 0.00 0.00 54.97 54.10 1q86 s GLU 56 Cb 0.00 -2.17 -0.10 0.00 0.26 0.00 0.00 34.13 32.12 1q86 s GLU 56 CO 0.00 -0.83 1.93 2.41 -0.54 0.00 0.00 175.26 178.23 1q86 n THR 57 N 4.85 0.67 -2.70 -1.70 -1.04 -0.79 -4.58 114.28 108.99 1q86 n THR 57 Ca -0.05 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.41 1q86 n THR 57 Cb 0.44 -2.14 -0.02 0.00 -1.82 0.00 0.00 70.33 66.78 1q86 n THR 57 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1q86 s VAL 58 N 4.17 4.74 -0.27 12.58 1.01 0.40 -0.82 120.40 142.21 1q86 s VAL 58 Ca 0.90 1.97 -0.06 0.00 0.00 0.00 0.00 61.98 64.80 1q86 s VAL 58 Cb -0.53 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1q86 s VAL 58 CO 0.45 -0.10 0.04 -0.69 0.00 0.00 0.00 175.10 174.80 1q86 s VAL 59 N 2.73 3.75 -0.37 2.92 1.01 0.12 0.46 120.40 131.03 1q86 s VAL 59 Ca 0.44 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 1q86 s VAL 59 Cb -0.16 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1q86 s VAL 59 CO 0.10 0.19 0.18 -0.69 0.00 0.00 0.00 175.10 174.88 1q86 s VAL 60 N 1.49 4.22 -0.04 2.92 1.01 0.30 -1.25 120.40 129.05 1q86 s VAL 60 Ca 0.03 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1q86 s VAL 60 Cb -0.16 -3.42 -0.21 0.00 0.00 0.00 0.00 36.38 32.59 1q86 s VAL 60 CO 0.01 -0.28 2.94 -0.81 0.00 0.00 0.00 175.10 176.96 1q86 n PRO 61 N 4.91 1.61 0.00 2.72 -0.04 -1.26 -3.79 135.00 139.15 1q86 n PRO 61 Ca -0.12 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1q86 n PRO 61 Cb 0.45 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1q86 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q86 n GLY 62 N 2.64 0.65 2.96 0.55 0.00 -1.26 -3.09 105.19 107.64 1q86 n GLY 62 Ca 0.35 0.46 -0.14 0.00 0.00 0.00 0.00 46.02 46.68 1q86 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q86 s LYS 63 N 3.09 0.32 -0.16 1.61 2.20 0.17 -1.12 119.74 125.85 1q86 s LYS 63 Ca 0.00 -0.28 -0.08 0.00 -0.36 0.00 0.00 55.97 55.25 1q86 s LYS 63 Cb 0.00 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.04 1q86 s LYS 63 CO 0.00 0.06 0.13 0.08 -0.36 0.00 0.00 175.35 175.25 1q86 s VAL 64 N -0.43 5.37 0.08 4.02 1.01 -0.66 -1.29 120.40 128.51 1q86 s VAL 64 Ca -0.02 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1q86 s VAL 64 Cb -0.04 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1q86 s VAL 64 CO -0.00 0.53 -0.19 -0.76 0.00 0.00 0.00 175.10 174.68 1q86 s LEU 65 N -0.33 2.60 0.00 3.92 1.43 0.41 -1.56 118.68 125.16 1q86 s LEU 65 Ca 0.11 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1q86 s LEU 65 Cb -0.12 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1q86 s LEU 65 CO 0.01 0.22 1.91 0.61 0.23 0.00 0.00 176.35 179.33 1q86 n GLY 66 N 1.23 2.33 3.84 -3.19 0.00 -1.26 -1.94 105.19 106.20 1q86 n GLY 66 Ca -0.16 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1q86 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q86 s SER 67 N 2.01 6.48 0.00 1.61 0.01 -1.26 -4.84 113.70 117.71 1q86 s SER 67 Ca 0.04 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1q86 s SER 67 Cb 0.02 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1q86 s SER 67 CO 0.00 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1q86 n GLY 68 N 2.20 -2.50 3.50 3.44 0.00 -1.26 -1.65 105.19 108.91 1q86 n GLY 68 Ca -0.17 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 1q86 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q86 s VAL 69 N -0.62 3.18 -0.15 1.61 1.01 -1.26 -4.56 120.40 119.60 1q86 s VAL 69 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1q86 s VAL 69 Cb 0.00 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1q86 s VAL 69 CO 0.00 0.56 -0.18 -0.22 0.00 0.00 0.00 175.10 175.25 1q86 s LEU 70 N -0.86 1.96 -0.15 3.92 2.96 -1.26 -4.36 118.68 120.89 1q86 s LEU 70 Ca 0.12 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1q86 s LEU 70 Cb -0.11 -1.34 -0.07 0.00 0.50 0.00 0.00 46.19 45.17 1q86 s LEU 70 CO 0.02 0.00 -0.17 0.00 -1.32 0.00 0.00 176.35 174.88 1q86 n GLN 71 N 4.49 0.32 -1.55 1.98 6.02 -1.26 -4.84 117.38 122.55 1q86 n GLN 71 Ca -0.19 0.12 -0.44 0.00 -0.01 0.00 0.00 57.00 56.47 1q86 n GLN 71 Cb 0.50 -1.11 -0.01 0.00 1.02 0.00 0.00 30.24 30.64 1q86 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1q86 n LYS 72 N -3.41 1.07 -2.60 -1.09 5.02 -1.26 -4.85 118.16 111.04 1q86 n LYS 72 Ca -0.28 0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1q86 n LYS 72 Cb 0.73 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1q86 n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1q86 n ASP 73 N 1.27 5.03 -4.70 4.39 2.03 -1.24 -4.54 116.55 118.78 1q86 n ASP 73 Ca 0.11 -3.00 -0.25 0.00 0.52 0.00 0.00 54.79 52.17 1q86 n ASP 73 Cb 0.33 -1.57 -0.07 0.00 -0.72 0.00 0.00 41.12 39.08 1q86 n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1q86 s VAL 74 N 1.68 3.87 -0.37 5.18 -7.23 -1.26 -4.62 120.40 117.65 1q86 s VAL 74 Ca 0.44 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 1q86 s VAL 74 Cb 0.04 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1q86 s VAL 74 CO 0.01 -0.19 0.26 -0.89 -0.31 0.00 0.00 175.10 173.98 1q86 s THR 75 N -1.89 5.19 -0.16 5.32 2.01 -1.26 -2.09 115.64 122.76 1q86 s THR 75 Ca 0.29 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 1q86 s THR 75 Cb -0.09 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1q86 s THR 75 CO 0.20 -0.16 0.18 -0.69 -0.69 0.00 0.00 174.62 173.46 1q86 s VAL 76 N 1.69 5.40 -0.18 3.82 1.01 -0.72 -0.45 120.40 130.98 1q86 s VAL 76 Ca 0.05 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1q86 s VAL 76 Cb -0.18 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1q86 s VAL 76 CO 0.10 0.48 -0.14 0.00 0.00 0.00 0.00 175.10 175.54 1q86 s ALA 77 N -0.05 2.04 0.28 5.51 0.00 0.17 -0.29 121.76 129.41 1q86 s ALA 77 Ca 0.12 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1q86 s ALA 77 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1q86 s ALA 77 CO 0.01 -0.54 0.15 0.00 0.00 0.00 0.00 175.76 175.39 1q86 s ALA 78 N 1.40 1.75 0.14 0.00 0.00 -1.07 -0.54 121.76 123.44 1q86 s ALA 78 Ca 0.03 -1.79 0.20 0.00 0.00 0.00 0.00 51.96 50.39 1q86 s ALA 78 Cb -0.14 1.21 0.70 0.00 0.00 0.00 0.00 23.12 24.89 1q86 s ALA 78 CO -0.10 -0.53 1.74 0.28 0.00 0.00 0.00 175.76 177.15 1q86 h VAL 79 N 2.32 0.80 -1.13 0.00 2.07 -1.22 -2.84 116.25 116.26 1q86 h VAL 79 Ca -0.34 -1.46 0.28 0.00 0.82 0.00 0.00 66.70 66.00 1q86 h VAL 79 Cb 1.25 1.91 -0.23 0.00 -1.52 0.00 0.00 31.29 32.70 1q86 h VAL 79 CO 0.52 0.34 0.93 -0.62 0.02 0.00 0.00 177.57 178.77 1q86 s ASP 80 N -6.38 -0.05 0.07 0.57 2.15 -1.20 -4.88 116.67 106.95 1q86 s ASP 80 Ca 0.00 0.02 0.07 0.00 0.43 0.00 0.00 52.55 53.08 1q86 s ASP 80 Cb 0.11 0.05 -0.03 0.00 -0.30 0.00 0.00 42.92 42.74 1q86 s ASP 80 CO 0.68 -0.07 -0.20 -0.36 -0.17 0.00 0.00 175.17 175.05 1q86 s PHE 81 N -1.69 1.69 0.96 -5.34 0.40 -1.26 -1.65 117.98 111.09 1q86 s PHE 81 Ca 0.10 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 1q86 s PHE 81 Cb -0.01 -0.97 0.17 0.00 0.51 0.00 0.00 43.02 42.72 1q86 s PHE 81 CO -0.05 0.13 1.09 -1.54 0.70 0.00 0.00 175.22 175.55 1q86 s SER 82 N -1.51 2.86 0.36 1.36 1.04 -0.60 -4.77 113.70 112.44 1q86 s SER 82 Ca 0.06 1.55 0.06 0.00 0.48 0.00 0.00 55.95 58.10 1q86 s SER 82 Cb -0.09 -2.21 0.68 0.00 0.10 0.00 0.00 66.02 64.49 1q86 s SER 82 CO 0.03 -3.03 1.90 1.23 0.98 0.00 0.00 173.24 174.34 1q86 h GLY 83 N -1.82 0.46 1.28 7.32 0.00 -2.00 -2.44 103.07 105.88 1q86 h GLY 83 Ca -0.51 -0.27 -0.20 0.00 0.00 0.00 0.00 47.33 46.35 1q86 h GLY 83 CO 0.53 0.25 -0.67 -0.84 0.00 0.00 0.00 176.54 175.81 1q86 h THR 84 N 0.42 1.30 0.39 4.70 2.02 -1.96 -2.91 112.91 116.86 1q86 h THR 84 Ca 0.09 -1.90 -0.02 0.00 0.77 0.00 0.00 66.41 65.35 1q86 h THR 84 Cb 0.32 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1q86 h THR 84 CO 0.01 0.60 -0.19 0.00 0.37 0.00 0.00 175.52 176.32 1q86 h ALA 85 N 0.72 -0.52 -0.12 6.16 0.00 -1.80 -0.30 119.26 123.40 1q86 h ALA 85 Ca -0.02 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1q86 h ALA 85 Cb 1.27 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1q86 h ALA 85 CO 0.14 -0.70 0.16 1.49 0.00 0.00 0.00 179.25 180.33 1q86 h GLU 86 N -0.69 0.00 0.00 0.00 4.81 -1.52 -0.36 114.58 116.82 1q86 h GLU 86 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1q86 h GLU 86 Cb 0.49 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1q86 h GLU 86 CO 0.09 0.00 -0.11 1.15 -0.73 0.00 0.00 179.01 179.40 1q86 h THR 87 N 0.00 1.14 -0.96 0.32 2.02 -1.25 -2.90 112.91 111.28 1q86 h THR 87 Ca 0.06 -1.90 0.08 0.00 0.77 0.00 0.00 66.41 65.42 1q86 h THR 87 Cb 0.38 2.20 -0.07 0.00 -1.74 0.00 0.00 68.15 68.92 1q86 h THR 87 CO -0.00 0.39 0.62 0.11 0.37 0.00 0.00 175.52 177.01 1q86 h LYS 88 N -1.00 1.05 0.41 6.66 1.57 -0.55 -2.96 116.57 121.75 1q86 h LYS 88 Ca -0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1q86 h LYS 88 Cb 0.71 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1q86 h LYS 88 CO -0.02 0.69 -0.20 0.82 -0.57 0.00 0.00 179.45 180.18 1q86 h ILE 89 N 1.08 0.49 0.00 1.86 2.04 -1.21 -2.81 117.51 118.96 1q86 h ILE 89 Ca 0.43 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1q86 h ILE 89 Cb 0.24 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1q86 h ILE 89 CO -0.18 0.08 0.02 0.47 0.00 0.00 0.00 178.15 178.55 1q86 n ASP 90 N -5.20 0.00 0.03 1.72 8.00 -1.09 0.15 116.55 120.16 1q86 n ASP 90 Ca -0.10 0.09 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1q86 n ASP 90 Cb 0.29 -0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.16 1q86 n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1q86 h GLN 91 N 0.00 0.07 0.00 -1.24 4.20 -1.36 -3.40 115.11 113.39 1q86 h GLN 91 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1q86 h GLN 91 Cb 0.04 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1q86 h GLN 91 CO 0.00 0.84 0.00 1.33 -0.67 0.00 0.00 178.83 180.33 1q86 n VAL 92 N -3.26 0.00 0.00 -0.54 0.24 0.65 -5.09 118.33 110.32 1q86 n VAL 92 Ca -0.12 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1q86 n VAL 92 Cb 1.01 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 34.49 1q86 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q86 n GLY 93 N 0.45 4.13 3.00 7.63 0.00 0.12 -3.69 105.19 116.83 1q86 n GLY 93 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 1q86 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q86 s GLU 94 N 4.85 0.14 0.00 1.61 2.12 -0.89 -4.25 118.70 122.29 1q86 s GLU 94 Ca 0.00 0.74 -0.26 0.00 0.36 0.00 0.00 54.97 55.81 1q86 s GLU 94 Cb 0.00 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 1q86 s GLU 94 CO 0.00 -0.29 0.80 0.00 -0.54 0.00 0.00 175.26 175.23 1q86 s ALA 95 N 2.41 3.31 0.01 6.30 0.00 -1.26 -1.75 121.76 130.78 1q86 s ALA 95 Ca 0.01 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 1q86 s ALA 95 Cb -0.12 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1q86 s ALA 95 CO -0.08 -0.06 0.00 0.08 0.00 0.00 0.00 175.76 175.70 1q86 s VAL 96 N 0.45 0.05 0.48 0.00 1.01 0.60 -4.95 120.40 118.03 1q86 s VAL 96 Ca 0.41 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 1q86 s VAL 96 Cb -0.20 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 35.97 1q86 s VAL 96 CO 0.23 -0.21 1.10 -0.94 0.00 0.00 0.00 175.10 175.27 1q86 s SER 97 N -0.63 6.20 0.38 3.32 1.04 -1.26 -2.58 113.70 120.17 1q86 s SER 97 Ca -0.07 2.11 0.07 0.00 0.48 0.00 0.00 55.95 58.54 1q86 s SER 97 Cb -0.04 -2.58 0.77 0.00 0.10 0.00 0.00 66.02 64.26 1q86 s SER 97 CO -0.00 -0.88 1.97 -0.07 0.98 0.00 0.00 173.24 175.23 1q86 h LEU 98 N 1.75 0.41 -1.61 2.42 4.07 -1.82 -0.04 115.31 120.48 1q86 h LEU 98 Ca -0.49 -0.05 0.03 0.00 0.08 0.00 0.00 57.88 57.45 1q86 h LEU 98 Cb 1.24 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.85 1q86 h LEU 98 CO 0.59 0.42 0.30 -0.33 -1.08 0.00 0.00 178.44 178.34 1q86 h GLU 99 N 0.45 0.50 0.03 1.13 3.07 -1.91 0.13 114.58 117.98 1q86 h GLU 99 Ca 0.11 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.75 1q86 h GLU 99 Cb 0.17 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1q86 h GLU 99 CO -0.00 0.33 -0.74 1.96 -1.40 0.00 0.00 179.01 179.16 1q86 h GLN 100 N 0.51 0.44 -0.01 2.33 4.20 -1.42 -3.15 115.11 118.02 1q86 h GLN 100 Ca 0.18 -0.52 0.03 0.00 0.06 0.00 0.00 58.65 58.41 1q86 h GLN 100 Cb 0.10 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1q86 h GLN 100 CO -0.05 1.18 -0.26 0.00 -0.67 0.00 0.00 178.83 179.03 1q86 h ALA 101 N 0.28 -0.35 -0.80 3.87 0.00 -0.34 0.77 119.26 122.69 1q86 h ALA 101 Ca -0.10 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.04 1q86 h ALA 101 Cb 1.46 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 1q86 h ALA 101 CO 0.14 -0.76 0.67 0.82 0.00 0.00 0.00 179.25 180.13 1q86 h ILE 102 N -0.40 0.41 0.05 0.00 2.04 -0.85 0.10 117.51 118.86 1q86 h ILE 102 Ca 0.06 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.67 1q86 h ILE 102 Cb 0.48 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1q86 h ILE 102 CO -0.23 0.00 -1.34 -0.08 0.00 0.00 0.00 178.15 176.50 1q86 h GLU 103 N 0.00 0.11 0.00 2.37 4.81 -0.93 -3.10 114.58 117.83 1q86 h GLU 103 Ca 0.38 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1q86 h GLU 103 Cb 1.72 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1q86 h GLU 103 CO -0.00 1.09 0.00 -0.91 -0.73 0.00 0.00 179.01 178.46 1q86 h ASN 104 N -0.63 0.00 -0.95 1.04 2.35 -0.31 -3.36 115.58 113.72 1q86 h ASN 104 Ca -0.33 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.05 1q86 h ASN 104 Cb 1.53 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.64 1q86 h ASN 104 CO -0.07 0.00 -0.79 -3.20 -1.65 0.00 0.00 177.43 171.72 1q86 n ASN 105 N -2.95 -1.39 0.34 5.81 5.15 -0.04 -4.99 115.26 117.20 1q86 n ASN 105 Ca 0.00 -3.05 0.23 0.00 -0.60 0.00 0.00 54.58 51.16 1q86 n ASN 105 Cb 0.26 0.67 1.21 0.00 -0.53 0.00 0.00 39.78 41.39 1q86 n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1q86 h PRO 106 N 3.90 0.00 -0.11 1.20 0.13 -1.69 -0.28 132.00 135.14 1q86 h PRO 106 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1q86 h PRO 106 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1q86 h PRO 106 CO 0.38 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.54 1q86 n GLU 107 N -3.08 1.41 -3.58 0.86 4.71 -1.26 -3.99 120.64 115.72 1q86 n GLU 107 Ca -0.03 -0.62 -0.22 0.00 -0.01 0.00 0.00 57.16 56.28 1q86 n GLU 107 Cb 0.08 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 1q86 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1q86 n GLY 108 N 0.94 -0.99 3.54 0.62 0.00 -0.12 -4.09 105.19 105.09 1q86 n GLY 108 Ca 0.13 0.45 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 1q86 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q86 s SER 109 N -2.89 3.88 -1.23 1.61 1.04 -1.26 -4.70 113.70 110.15 1q86 s SER 109 Ca 0.04 -0.97 -0.22 0.00 0.48 0.00 0.00 55.95 55.28 1q86 s SER 109 Cb -0.02 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.66 1q86 s SER 109 CO 0.71 -0.04 0.66 1.41 0.98 0.00 0.00 173.24 176.96 1q86 n HIS 110 N -0.74 -1.64 -4.33 5.02 8.25 -1.26 -4.83 115.22 115.68 1q86 n HIS 110 Ca -0.05 0.35 -0.19 0.00 -0.26 0.00 0.00 57.72 57.57 1q86 n HIS 110 Cb 0.61 -3.19 -0.15 0.00 1.12 0.00 0.00 29.99 28.37 1q86 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q86 s VAL 111 N -3.61 0.69 -0.17 1.59 0.11 -1.26 -1.89 120.40 115.86 1q86 s VAL 111 Ca 0.39 -0.33 -0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1q86 s VAL 111 Cb -0.18 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1q86 s VAL 111 CO 0.92 0.21 -0.14 -0.60 -3.33 0.00 0.00 175.10 172.16 1q86 s ARG 112 N 0.09 3.20 -0.01 1.54 6.06 -0.00 -4.94 118.95 124.88 1q86 s ARG 112 Ca -0.01 -0.74 -0.24 0.00 -2.50 0.00 0.00 55.73 52.24 1q86 s ARG 112 Cb -0.07 -2.68 -0.04 0.00 0.06 0.00 0.00 34.95 32.22 1q86 s ARG 112 CO 0.00 -0.06 0.73 0.08 -2.50 0.00 0.00 175.30 173.55 1q86 s VAL 113 N 1.01 4.90 -0.03 7.11 1.01 -1.26 0.13 120.40 133.28 1q86 s VAL 113 Ca -0.02 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1q86 s VAL 113 Cb -0.15 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1q86 s VAL 113 CO -0.03 0.31 -0.08 -0.63 0.00 0.00 0.00 175.10 174.67 1q86 s ILE 114 N 0.39 0.70 0.00 2.22 -1.09 -0.38 -4.91 121.20 118.12 1q86 s ILE 114 Ca 0.38 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1q86 s ILE 114 Cb -0.19 -0.63 0.00 0.00 -1.58 0.00 0.00 42.46 40.06 1q86 s ILE 114 CO 0.20 0.22 0.00 -2.11 -1.23 0.00 0.00 174.94 172.03