#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s PRO 2 N 0.00 2.65 0.42 1.97 0.02 -1.26 -4.95 135.00 133.85 1q86 s PRO 2 Ca 0.00 1.25 0.19 0.00 0.02 0.00 0.00 61.00 62.46 1q86 s PRO 2 Cb 0.00 -1.94 0.95 0.00 0.02 0.00 0.00 34.50 33.53 1q86 s PRO 2 CO 0.00 -1.35 1.89 0.78 -0.33 0.00 0.00 177.00 177.99 1q86 h GLY 3 N -0.44 0.00 -0.41 0.52 0.00 -2.01 -2.93 103.07 97.81 1q86 h GLY 3 Ca -0.45 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.17 1q86 h GLY 3 CO 0.53 0.00 0.57 0.00 0.00 0.00 0.00 176.54 177.64 1q86 h ALA 4 N 1.72 1.89 0.00 3.60 0.00 -2.00 0.30 119.26 124.76 1q86 h ALA 4 Ca -0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1q86 h ALA 4 Cb 0.59 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1q86 h ALA 4 CO 0.04 -0.48 -0.01 0.52 0.00 0.00 0.00 179.25 179.32 1q86 h MET 5 N 0.40 0.00 0.00 0.00 2.86 -1.91 -3.38 114.93 112.90 1q86 h MET 5 Ca 0.70 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.34 1q86 h MET 5 Cb 1.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.18 1q86 h MET 5 CO -0.57 0.01 0.00 0.66 1.06 0.00 0.00 176.91 178.07 1q86 n TYR 6 N -3.10 0.00 0.41 -0.22 4.02 0.76 -4.88 117.16 114.14 1q86 n TYR 6 Ca 0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.97 1q86 n TYR 6 Cb 0.34 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 39.98 1q86 n TYR 6 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1q86 n ARG 7 N -0.10 0.04 -3.89 -0.72 1.85 0.38 -4.49 116.66 109.74 1q86 n ARG 7 Ca 0.00 0.33 -0.34 0.00 -1.00 0.00 0.00 57.85 56.84 1q86 n ARG 7 Cb 0.12 -1.59 -0.05 0.00 -1.05 0.00 0.00 32.46 29.88 1q86 n ARG 7 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1q86 s ASN 8 N -3.29 6.39 -0.69 2.89 0.02 -1.26 -1.62 114.94 117.38 1q86 s ASN 8 Ca 0.05 0.39 -0.03 0.00 -1.02 0.00 0.00 52.86 52.26 1q86 s ASN 8 Cb 0.08 -2.03 0.19 0.00 0.02 0.00 0.00 41.25 39.51 1q86 s ASN 8 CO 0.26 0.29 2.42 -1.20 0.02 0.00 0.00 177.10 178.89 1q86 n SER 9 N 1.18 7.02 0.02 -1.22 7.64 -1.26 -4.54 113.62 122.46 1q86 n SER 9 Ca -0.13 -3.47 0.04 0.00 1.01 0.00 0.00 58.87 56.32 1q86 n SER 9 Cb 0.53 -1.18 -0.10 0.00 -1.01 0.00 0.00 64.21 62.46 1q86 n SER 9 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1q86 n SER 10 N 0.34 0.51 -4.90 6.43 3.41 -1.26 -4.95 113.62 113.20 1q86 n SER 10 Ca 0.52 0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 59.05 1q86 n SER 10 Cb 0.40 0.81 0.03 0.00 -0.26 0.00 0.00 64.21 65.19 1q86 n SER 10 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q86 s LYS 11 N -3.10 2.99 1.19 4.33 1.02 -1.26 -5.04 119.74 119.87 1q86 s LYS 11 Ca -0.05 0.31 -0.13 0.00 0.02 0.00 0.00 55.97 56.12 1q86 s LYS 11 Cb 0.10 -2.13 0.30 0.00 -0.52 0.00 0.00 37.83 35.57 1q86 s LYS 11 CO 0.83 -0.83 1.02 -2.14 -0.92 0.00 0.00 175.35 173.32 1q86 s PRO 12 N -5.18 -1.16 -0.11 -1.68 0.02 -1.26 -4.90 135.00 120.73 1q86 s PRO 12 Ca 0.56 0.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 1q86 s PRO 12 Cb -0.11 -1.53 -0.01 0.00 0.02 0.00 0.00 34.50 32.87 1q86 s PRO 12 CO 0.49 -3.87 1.05 0.00 -0.33 0.00 0.00 177.00 174.34 1q86 s ALA 13 N -2.43 3.45 -0.37 -1.55 0.00 -1.26 -4.98 121.76 114.62 1q86 s ALA 13 Ca 0.69 0.41 0.03 0.00 0.00 0.00 0.00 51.96 53.08 1q86 s ALA 13 Cb -0.25 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.51 1q86 s ALA 13 CO 0.65 -0.68 0.11 -0.47 0.00 0.00 0.00 175.76 175.38 1q86 s TYR 14 N 2.17 2.99 0.00 0.00 5.04 -1.26 -4.89 117.35 121.39 1q86 s TYR 14 Ca 0.49 -2.66 0.00 0.00 -2.44 0.00 0.00 57.07 52.46 1q86 s TYR 14 Cb -0.19 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.61 1q86 s TYR 14 CO 0.18 -0.88 0.00 0.25 -1.34 0.00 0.00 175.55 173.75 1q86 n THR 15 N 4.15 0.00 -2.00 4.34 -2.24 -1.26 -0.68 114.28 116.58 1q86 n THR 15 Ca 0.03 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.50 1q86 n THR 15 Cb 0.40 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 1q86 n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1q86 s ARG 16 N 0.00 2.51 0.44 -0.78 1.81 -1.26 -4.80 118.95 116.87 1q86 s ARG 16 Ca 0.00 0.18 0.30 0.00 -1.72 0.00 0.00 55.73 54.49 1q86 s ARG 16 Cb 0.00 -4.76 1.49 0.00 -0.45 0.00 0.00 34.95 31.23 1q86 s ARG 16 CO 0.00 -3.18 1.91 0.00 -0.68 0.00 0.00 175.30 173.35 1q86 h ARG 17 N 13.17 0.00 0.00 3.54 3.08 -1.97 -0.44 114.38 131.76 1q86 h ARG 17 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1q86 h ARG 17 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1q86 h ARG 17 CO 1.20 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 179.25 1q86 n GLU 18 N -2.61 0.04 0.00 0.04 0.00 -1.26 -3.01 120.64 113.85 1q86 n GLU 18 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.44 1q86 n GLU 18 Cb 0.13 -1.58 0.00 0.00 0.00 0.00 0.00 31.44 30.00 1q86 n GLU 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1q86 n TYR 19 N -1.65 0.00 -4.86 -1.84 4.02 -0.23 -5.03 117.16 107.58 1q86 n TYR 19 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.59 1q86 n TYR 19 Cb 0.18 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.37 1q86 n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1q86 s ILE 20 N -0.73 3.04 0.06 -0.72 1.01 -0.88 -5.10 121.20 117.89 1q86 s ILE 20 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1q86 s ILE 20 Cb 0.00 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1q86 s ILE 20 CO 0.00 0.57 -0.06 -0.94 0.00 0.00 0.00 174.94 174.51 1q86 s SER 21 N -0.33 0.79 0.00 3.58 1.04 -1.26 -4.65 113.70 112.87 1q86 s SER 21 Ca 0.03 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1q86 s SER 21 Cb -0.13 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1q86 s SER 21 CO 0.02 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1q86 n GLY 22 N 0.70 0.78 3.67 7.32 0.00 -1.26 -4.79 105.19 111.60 1q86 n GLY 22 Ca -0.18 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1q86 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q86 s ILE 23 N -2.00 4.72 0.67 -0.61 1.01 -1.26 -4.76 121.20 118.97 1q86 s ILE 23 Ca 0.00 1.98 -0.17 0.00 0.00 0.00 0.00 60.65 62.46 1q86 s ILE 23 Cb 0.00 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1q86 s ILE 23 CO 0.00 -0.12 0.83 -2.65 0.00 0.00 0.00 174.94 173.00 1q86 n PRO 24 N 5.95 0.58 -2.65 2.79 -0.02 -1.26 -4.96 135.00 135.43 1q86 n PRO 24 Ca 0.10 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 1q86 n PRO 24 Cb 0.47 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1q86 n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1q86 s GLY 25 N -1.44 2.41 0.38 -1.23 0.00 -1.26 -4.86 107.32 101.32 1q86 s GLY 25 Ca 0.72 0.47 -0.26 0.00 0.00 0.00 0.00 44.72 45.65 1q86 s GLY 25 CO 0.51 0.77 1.20 1.25 0.00 0.00 0.00 173.10 176.82 1q86 s LYS 26 N -3.29 4.14 0.05 2.90 2.20 -1.26 -4.93 119.74 119.55 1q86 s LYS 26 Ca 0.64 1.92 0.25 0.00 -0.36 0.00 0.00 55.97 58.43 1q86 s LYS 26 Cb -0.12 -2.79 0.50 0.00 -1.51 0.00 0.00 37.83 33.91 1q86 s LYS 26 CO 0.18 -0.27 1.42 1.63 -0.36 0.00 0.00 175.35 177.95 1q86 n LYS 27 N 0.29 0.11 -1.68 4.03 5.02 -1.26 -4.85 118.16 119.82 1q86 n LYS 27 Ca 0.03 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1q86 n LYS 27 Cb 0.45 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1q86 n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1q86 s ILE 28 N -3.07 3.06 0.02 -0.18 1.01 -1.26 -4.87 121.20 115.92 1q86 s ILE 28 Ca 0.09 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.56 1q86 s ILE 28 Cb 0.16 -3.06 -0.17 0.00 0.01 0.00 0.00 42.46 39.40 1q86 s ILE 28 CO 0.69 -0.02 1.33 0.00 0.00 0.00 0.00 174.94 176.94 1q86 h ALA 29 N 12.13 -0.36 -2.73 9.38 0.00 -1.95 -3.48 119.26 132.25 1q86 h ALA 29 Ca -0.46 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1q86 h ALA 29 Cb 1.23 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1q86 h ALA 29 CO 0.95 -0.56 -0.19 -0.65 0.00 0.00 0.00 179.25 178.80 1q86 s GLN 30 N -4.91 1.28 -0.01 0.00 -0.21 -1.26 -5.06 119.66 109.49 1q86 s GLN 30 Ca -0.15 -1.11 0.05 0.00 0.02 0.00 0.00 55.36 54.18 1q86 s GLN 30 Cb 0.03 0.43 -0.08 0.00 1.00 0.00 0.00 33.01 34.39 1q86 s GLN 30 CO 0.58 -0.50 0.10 1.19 -2.12 0.00 0.00 175.29 174.54 1q86 n PHE 31 N -0.28 0.00 -4.36 0.91 3.01 -1.26 -4.92 117.46 110.57 1q86 n PHE 31 Ca -0.07 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.05 1q86 n PHE 31 Cb 0.63 -0.14 -0.13 0.00 -0.01 0.00 0.00 39.48 39.82 1q86 n PHE 31 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1q86 s ASP 32 N -2.75 4.38 0.23 4.37 1.01 -1.26 -2.08 116.67 120.57 1q86 s ASP 32 Ca -0.02 -0.28 0.06 0.00 0.71 0.00 0.00 52.55 53.02 1q86 s ASP 32 Cb 0.03 -1.71 -0.05 0.00 1.01 0.00 0.00 42.92 42.20 1q86 s ASP 32 CO 0.22 0.10 -0.06 -0.04 0.21 0.00 0.00 175.17 175.60 1q86 s MET 33 N 0.74 1.37 3.83 8.23 -1.94 0.51 -4.97 119.30 127.07 1q86 s MET 33 Ca -0.03 -1.66 0.00 0.00 -1.71 0.00 0.00 55.69 52.28 1q86 s MET 33 Cb -0.15 -0.90 0.00 0.00 2.01 0.00 0.00 34.83 35.79 1q86 s MET 33 CO 0.02 0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.47 1q86 n GLY 34 N -0.44 0.25 3.31 -0.03 0.00 -1.26 -1.44 105.19 105.58 1q86 n GLY 34 Ca -0.06 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 1q86 n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q86 n ASN 35 N 3.59 5.08 0.00 1.61 3.02 0.56 -4.75 115.26 124.37 1q86 n ASN 35 Ca 0.00 -2.99 0.10 0.00 -0.03 0.00 0.00 54.58 51.66 1q86 n ASN 35 Cb 0.00 -1.58 0.54 0.00 -0.61 0.00 0.00 39.78 38.13 1q86 n ASN 35 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1q86 n ASN 36 N 5.67 0.00 0.12 6.41 0.23 -1.26 -1.96 115.26 124.47 1q86 n ASN 36 Ca 0.40 -0.08 -0.02 0.00 -0.53 0.00 0.00 54.58 54.34 1q86 n ASN 36 Cb 0.42 -0.26 0.10 0.00 -2.08 0.00 0.00 39.78 37.95 1q86 n ASN 36 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1q86 h GLY 37 N 3.47 0.00 -3.19 4.83 0.00 -1.96 -3.44 103.07 102.77 1q86 h GLY 37 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1q86 h GLY 37 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 1q86 s ALA 38 N -3.35 3.62 0.32 3.60 0.00 -0.83 -5.10 121.76 120.03 1q86 s ALA 38 Ca -0.01 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1q86 s ALA 38 Cb 0.12 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 1q86 s ALA 38 CO 0.77 0.24 0.48 0.20 0.00 0.00 0.00 175.76 177.46 1q86 s GLY 39 N -3.16 1.40 -0.92 0.00 0.00 -1.26 -4.94 107.32 98.43 1q86 s GLY 39 Ca 0.44 -1.18 -0.23 0.00 0.00 0.00 0.00 44.72 43.75 1q86 s GLY 39 CO 0.30 -1.13 1.98 -1.05 0.00 0.00 0.00 173.10 173.20 1q86 n PRO 40 N -1.67 0.10 -1.74 2.90 -0.02 -1.26 -4.56 135.00 128.76 1q86 n PRO 40 Ca -0.04 -1.42 -0.20 0.00 -2.02 0.00 0.00 63.50 59.82 1q86 n PRO 40 Cb 0.57 -3.51 0.06 0.00 -0.02 0.00 0.00 33.50 30.59 1q86 n PRO 40 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1q86 n THR 41 N 8.45 2.56 -4.04 3.45 -2.24 -1.26 -5.03 114.28 116.17 1q86 n THR 41 Ca 0.36 -3.95 -0.29 0.00 -2.27 0.00 0.00 64.05 57.90 1q86 n THR 41 Cb 0.47 -0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 1q86 n THR 41 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1q86 s TYR 42 N -3.55 3.23 0.06 4.78 1.51 -1.26 -5.04 117.35 117.07 1q86 s TYR 42 Ca 0.50 0.07 -0.19 0.00 -1.01 0.00 0.00 57.07 56.45 1q86 s TYR 42 Cb 0.41 -1.61 -0.12 0.00 -0.11 0.00 0.00 41.96 40.53 1q86 s TYR 42 CO 0.02 0.53 1.37 -1.35 -1.11 0.00 0.00 175.55 175.01 1q86 h PRO 43 N 3.00 0.46 -5.83 -1.71 0.11 -1.91 -3.45 132.00 122.67 1q86 h PRO 43 Ca -0.47 -0.24 -0.67 0.00 0.11 0.00 0.00 66.00 64.73 1q86 h PRO 43 Cb 1.17 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 1q86 h PRO 43 CO 0.66 0.81 -0.55 0.00 -0.21 0.00 0.00 178.00 178.71 1q86 s ALA 44 N -4.34 3.60 -0.23 -0.75 0.00 -0.52 -4.28 121.76 115.24 1q86 s ALA 44 Ca -0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1q86 s ALA 44 Cb 0.06 -1.72 0.08 0.00 0.00 0.00 0.00 23.12 21.55 1q86 s ALA 44 CO 0.78 0.62 0.13 -1.14 0.00 0.00 0.00 175.76 176.14 1q86 s GLN 45 N -1.09 0.14 0.09 0.00 0.74 -0.97 -1.60 119.66 116.96 1q86 s GLN 45 Ca 0.16 -0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.34 1q86 s GLN 45 Cb -0.12 -1.44 -0.04 0.00 1.10 0.00 0.00 33.01 32.51 1q86 s GLN 45 CO 0.05 -0.84 0.11 0.08 -0.55 0.00 0.00 175.29 174.15 1q86 s VAL 46 N 2.15 4.70 0.11 1.34 1.01 -1.09 0.07 120.40 128.68 1q86 s VAL 46 Ca 0.06 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1q86 s VAL 46 Cb -0.16 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1q86 s VAL 46 CO -0.22 0.10 -0.09 -1.61 0.00 0.00 0.00 175.10 173.27 1q86 s GLU 47 N -2.50 0.90 -0.29 2.72 2.02 0.22 -0.79 118.70 120.97 1q86 s GLU 47 Ca 0.31 -1.26 -0.07 0.00 0.02 0.00 0.00 54.97 53.97 1q86 s GLU 47 Cb -0.12 -0.50 0.01 0.00 0.10 0.00 0.00 34.13 33.62 1q86 s GLU 47 CO 0.23 0.06 0.07 -1.17 0.02 0.00 0.00 175.26 174.48 1q86 s LEU 48 N -2.74 3.82 -0.23 1.80 2.96 0.78 -1.43 118.68 123.64 1q86 s LEU 48 Ca 0.09 -0.71 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 1q86 s LEU 48 Cb -0.00 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1q86 s LEU 48 CO -0.01 -0.19 0.05 -0.69 -1.32 0.00 0.00 176.35 174.20 1q86 s VAL 49 N 1.49 4.24 0.25 1.68 1.01 0.64 -1.11 120.40 128.61 1q86 s VAL 49 Ca 0.02 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1q86 s VAL 49 Cb -0.17 -2.97 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 1q86 s VAL 49 CO 0.02 0.37 1.25 -0.69 0.00 0.00 0.00 175.10 176.05 1q86 s VAL 50 N 1.40 3.17 -2.28 2.92 1.01 -0.65 -0.58 120.40 125.38 1q86 s VAL 50 Ca 0.05 1.06 0.23 0.00 0.00 0.00 0.00 61.98 63.33 1q86 s VAL 50 Cb -0.15 -3.68 0.51 0.00 0.00 0.00 0.00 36.38 33.07 1q86 s VAL 50 CO 0.03 0.21 1.46 -0.62 0.00 0.00 0.00 175.10 176.17 1q86 n GLU 51 N 1.75 2.60 -3.70 2.72 1.02 -1.00 0.22 120.64 124.25 1q86 n GLU 51 Ca 0.02 -2.45 -0.14 0.00 -0.02 0.00 0.00 57.16 54.58 1q86 n GLU 51 Cb 0.43 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 30.22 1q86 n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1q86 s LYS 52 N -1.30 0.63 0.16 3.49 1.02 -1.26 -4.62 119.74 117.86 1q86 s LYS 52 Ca 0.43 0.51 -0.31 0.00 0.02 0.00 0.00 55.97 56.63 1q86 s LYS 52 Cb 0.24 0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 37.77 1q86 s LYS 52 CO 0.32 -0.11 1.37 -2.14 -0.92 0.00 0.00 175.35 173.88 1q86 s PRO 53 N -0.11 4.34 0.28 -1.68 0.02 -1.26 -3.55 135.00 133.03 1q86 s PRO 53 Ca -0.03 2.10 -0.09 0.00 0.02 0.00 0.00 61.00 62.99 1q86 s PRO 53 Cb -0.03 -3.21 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 1q86 s PRO 53 CO 0.02 -0.38 0.47 0.14 -0.33 0.00 0.00 177.00 176.93 1q86 s VAL 54 N 0.66 0.00 -0.17 3.83 -7.23 -0.04 -4.80 120.40 112.65 1q86 s VAL 54 Ca 0.62 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1q86 s VAL 54 Cb -0.37 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1q86 s VAL 54 CO 0.34 0.00 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.96 1q86 s GLN 55 N -3.65 3.47 -0.26 4.82 -0.21 -0.64 -1.45 119.66 121.74 1q86 s GLN 55 Ca 0.25 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 55.02 1q86 s GLN 55 Cb -0.00 -2.84 0.05 0.00 1.00 0.00 0.00 33.01 31.22 1q86 s GLN 55 CO 0.12 0.09 -0.08 0.42 -2.12 0.00 0.00 175.29 173.73 1q86 s ILE 56 N 0.71 2.53 0.50 1.08 1.01 0.00 -4.33 121.20 122.71 1q86 s ILE 56 Ca -0.04 -1.37 -0.23 0.00 0.00 0.00 0.00 60.65 59.01 1q86 s ILE 56 Cb -0.15 -2.40 -0.06 0.00 0.01 0.00 0.00 42.46 39.86 1q86 s ILE 56 CO 0.02 0.05 1.35 -0.13 0.00 0.00 0.00 174.94 176.23 1q86 s ARG 57 N 1.21 3.40 0.65 2.79 0.52 -1.26 -0.42 118.95 125.83 1q86 s ARG 57 Ca -0.05 2.23 0.28 0.00 -0.52 0.00 0.00 55.73 57.67 1q86 s ARG 57 Cb -0.19 -2.41 1.52 0.00 0.52 0.00 0.00 34.95 34.39 1q86 s ARG 57 CO -0.05 -0.98 1.85 1.12 0.02 0.00 0.00 175.30 177.26 1q86 h HIS 58 N 1.82 0.00 0.76 -0.53 2.07 -1.73 0.54 115.15 118.08 1q86 h HIS 58 Ca -0.51 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.98 1q86 h HIS 58 Cb 1.28 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.27 1q86 h HIS 58 CO 0.48 0.00 -0.37 -0.91 -3.07 0.00 0.00 177.93 174.07 1q86 h ASN 59 N 0.00 -0.86 -0.86 3.10 -0.26 -1.88 -2.24 115.58 112.58 1q86 h ASN 59 Ca 0.00 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1q86 h ASN 59 Cb 0.73 0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 38.17 1q86 h ASN 59 CO 0.00 -0.56 0.55 0.00 -1.06 0.00 0.00 177.43 176.35 1q86 h ALA 60 N -1.42 1.09 0.02 -0.83 0.00 -1.21 -1.37 119.26 115.54 1q86 h ALA 60 Ca -0.10 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1q86 h ALA 60 Cb 0.78 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1q86 h ALA 60 CO 0.17 0.52 -0.35 -0.07 0.00 0.00 0.00 179.25 179.52 1q86 h LEU 61 N 1.17 -1.05 -0.34 0.00 -0.00 -1.30 0.58 115.31 114.37 1q86 h LEU 61 Ca 0.31 0.13 0.03 0.00 -0.00 0.00 0.00 57.88 58.35 1q86 h LEU 61 Cb -0.10 0.41 -0.03 0.00 -0.00 0.00 0.00 40.66 40.94 1q86 h LEU 61 CO -0.06 -0.41 0.17 -0.08 -0.00 0.00 0.00 178.44 178.05 1q86 h GLU 62 N -0.52 0.34 -0.46 1.13 4.57 -1.17 0.50 114.58 118.97 1q86 h GLU 62 Ca 0.05 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1q86 h GLU 62 Cb 0.59 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1q86 h GLU 62 CO -0.27 0.22 0.15 0.00 -1.18 0.00 0.00 179.01 177.93 1q86 h ALA 63 N 1.18 1.40 -0.03 2.92 0.00 -0.73 0.37 119.26 124.37 1q86 h ALA 63 Ca 0.15 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1q86 h ALA 63 Cb 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1q86 h ALA 63 CO -0.10 0.44 -0.56 0.00 0.00 0.00 0.00 179.25 179.03 1q86 h ALA 64 N 1.51 0.11 0.16 0.00 0.00 0.77 -2.48 119.26 119.32 1q86 h ALA 64 Ca 0.16 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1q86 h ALA 64 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1q86 h ALA 64 CO -0.01 0.35 -0.08 -0.09 0.00 0.00 0.00 179.25 179.43 1q86 h ARG 65 N -0.05 -0.20 0.09 0.00 2.43 0.28 -2.66 114.38 114.27 1q86 h ARG 65 Ca -0.06 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1q86 h ARG 65 Cb 1.25 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 1q86 h ARG 65 CO 0.11 0.03 -0.30 0.28 -1.51 0.00 0.00 179.97 178.58 1q86 h VAL 66 N -0.42 0.00 -1.54 0.20 2.07 -0.36 -1.05 116.25 115.15 1q86 h VAL 66 Ca -0.02 0.00 0.50 0.00 0.82 0.00 0.00 66.70 68.00 1q86 h VAL 66 Cb 0.33 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.98 1q86 h VAL 66 CO 0.04 0.00 1.03 0.00 0.02 0.00 0.00 177.57 178.65 1q86 h ALA 67 N -1.00 3.11 0.00 1.67 0.00 -1.45 0.53 119.26 122.12 1q86 h ALA 67 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1q86 h ALA 67 Cb 0.44 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1q86 h ALA 67 CO -0.15 -1.76 -0.29 0.00 0.00 0.00 0.00 179.25 177.04 1q86 h ALA 68 N 1.45 0.05 -0.31 0.00 0.00 -0.89 -3.25 119.26 116.31 1q86 h ALA 68 Ca 0.89 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1q86 h ALA 68 Cb 3.07 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 21.04 1q86 h ALA 68 CO -0.34 0.18 -0.24 -0.97 0.00 0.00 0.00 179.25 177.88 1q86 h ASN 69 N -1.00 0.75 -0.39 0.00 -0.00 -0.47 -0.90 115.58 113.58 1q86 h ASN 69 Ca -0.07 -0.45 0.11 0.00 -0.00 0.00 0.00 56.30 55.90 1q86 h ASN 69 Cb 0.81 -0.21 -0.02 0.00 -0.00 0.00 0.00 38.32 38.91 1q86 h ASN 69 CO -0.04 1.04 0.38 -0.09 -0.00 0.00 0.00 177.43 178.71 1q86 h ARG 70 N 0.47 0.00 0.00 6.67 2.43 -0.16 0.47 114.38 124.27 1q86 h ARG 70 Ca 0.06 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.06 1q86 h ARG 70 Cb 0.80 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1q86 h ARG 70 CO 0.06 0.00 -1.39 -0.92 -1.51 0.00 0.00 179.97 176.21 1q86 h TYR 71 N 0.00 0.00 0.00 2.20 3.20 -1.46 -3.31 116.97 117.60 1q86 h TYR 71 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1q86 h TYR 71 Cb 0.94 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1q86 h TYR 71 CO 0.00 0.58 0.00 1.55 -1.64 0.00 0.00 178.16 178.65 1q86 n VAL 72 N -2.90 0.00 -2.41 1.81 3.14 0.17 -2.69 118.33 115.45 1q86 n VAL 72 Ca -0.09 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.89 1q86 n VAL 72 Cb 0.84 -0.28 0.02 0.00 -1.06 0.00 0.00 33.84 33.37 1q86 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q86 n GLN 73 N -0.31 4.30 0.00 1.45 3.00 -1.21 -2.62 117.38 121.98 1q86 n GLN 73 Ca 0.00 -4.28 0.00 0.00 -0.01 0.00 0.00 57.00 52.71 1q86 n GLN 73 Cb 0.02 -2.38 0.00 0.00 0.00 0.00 0.00 30.24 27.89 1q86 n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1q86 n ASN 74 N -0.25 0.18 -0.00 1.08 5.15 -1.09 -4.30 115.26 116.02 1q86 n ASN 74 Ca 0.48 -0.51 0.01 0.00 -0.60 0.00 0.00 54.58 53.96 1q86 n ASN 74 Cb 0.27 0.43 -0.02 0.00 -0.53 0.00 0.00 39.78 39.94 1q86 n ASN 74 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1q86 n SER 75 N -0.43 0.19 0.00 1.20 7.64 -1.08 -5.12 113.62 116.01 1q86 n SER 75 Ca 0.00 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1q86 n SER 75 Cb 0.03 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1q86 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q86 n GLY 76 N 1.08 0.27 0.32 0.23 0.00 -1.25 -3.91 105.19 101.94 1q86 n GLY 76 Ca 0.01 -1.50 0.20 0.00 0.00 0.00 0.00 46.02 44.73 1q86 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 n ALA 77 N 0.79 0.66 -1.66 4.61 0.00 -1.26 -0.39 120.51 123.26 1q86 n ALA 77 Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 53.44 54.31 1q86 n ALA 77 Cb 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 19.45 18.75 1q86 n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q86 n ALA 78 N -2.87 4.71 -0.52 0.00 0.00 -1.26 -4.96 120.51 115.61 1q86 n ALA 78 Ca 0.27 -3.44 -0.28 0.00 0.00 0.00 0.00 53.44 49.99 1q86 n ALA 78 Cb 0.91 -0.66 0.26 0.00 0.00 0.00 0.00 19.45 19.97 1q86 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q86 s ALA 79 N -3.44 -0.63 -0.86 0.00 0.00 0.48 -4.95 121.76 112.37 1q86 s ALA 79 Ca 0.48 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 1q86 s ALA 79 Cb 0.42 -3.20 0.17 0.00 0.00 0.00 0.00 23.12 20.50 1q86 s ALA 79 CO -0.00 -4.01 0.93 1.21 0.00 0.00 0.00 175.76 173.89 1q86 s ASN 80 N -2.58 6.66 -0.11 0.00 3.04 -1.26 -4.45 114.94 116.24 1q86 s ASN 80 Ca 0.69 -2.30 -0.33 0.00 0.04 0.00 0.00 52.86 50.96 1q86 s ASN 80 Cb -0.24 -2.30 0.12 0.00 -1.54 0.00 0.00 41.25 37.29 1q86 s ASN 80 CO 0.64 -0.84 1.12 -0.72 -3.04 0.00 0.00 177.10 174.27 1q86 s TYR 81 N 1.50 -0.18 -0.02 0.43 -0.85 -1.26 -4.58 117.35 112.40 1q86 s TYR 81 Ca 0.24 0.09 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 1q86 s TYR 81 Cb -0.09 0.53 0.02 0.00 0.38 0.00 0.00 41.96 42.80 1q86 s TYR 81 CO -0.08 -0.33 -0.02 -1.59 -1.52 0.00 0.00 175.55 172.01 1q86 s LYS 82 N -2.64 0.39 -0.13 -3.49 -2.85 -1.03 -0.33 119.74 109.67 1q86 s LYS 82 Ca 0.09 -0.03 0.03 0.00 -1.00 0.00 0.00 55.97 55.06 1q86 s LYS 82 Cb -0.00 -0.47 0.01 0.00 -2.06 0.00 0.00 37.83 35.30 1q86 s LYS 82 CO -0.05 -0.05 -0.22 0.12 0.10 0.00 0.00 175.35 175.25 1q86 s PHE 83 N 0.60 2.64 -0.02 1.78 5.36 -0.52 -0.50 117.98 127.31 1q86 s PHE 83 Ca -0.06 -1.25 0.04 0.00 -0.96 0.00 0.00 56.93 54.69 1q86 s PHE 83 Cb -0.09 -1.79 -0.01 0.00 -0.34 0.00 0.00 43.02 40.79 1q86 s PHE 83 CO -0.01 -0.55 -0.15 1.03 -1.46 0.00 0.00 175.22 174.08 1q86 s ARG 84 N 0.68 1.35 -0.37 10.12 0.52 0.99 -0.36 118.95 131.88 1q86 s ARG 84 Ca -0.10 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.52 1q86 s ARG 84 Cb -0.16 -1.25 0.06 0.00 0.52 0.00 0.00 34.95 34.12 1q86 s ARG 84 CO 0.01 0.26 0.15 -1.50 0.02 0.00 0.00 175.30 174.25 1q86 s ILE 85 N -0.14 3.75 -0.98 1.52 2.07 -0.88 -0.60 121.20 125.94 1q86 s ILE 85 Ca 0.01 -1.36 0.28 0.00 -1.41 0.00 0.00 60.65 58.17 1q86 s ILE 85 Cb -0.08 -3.24 0.24 0.00 0.13 0.00 0.00 42.46 39.51 1q86 s ILE 85 CO 0.00 -0.33 1.90 -2.11 -1.91 0.00 0.00 174.94 172.49 1q86 n ARG 86 N 4.79 0.02 -3.77 3.50 1.85 -0.85 -4.86 116.66 117.34 1q86 n ARG 86 Ca -0.10 0.03 -0.33 0.00 -1.00 0.00 0.00 57.85 56.45 1q86 n ARG 86 Cb 0.44 -1.52 -0.05 0.00 -1.05 0.00 0.00 32.46 30.27 1q86 n ARG 86 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1q86 s LYS 87 N -3.01 3.56 -0.03 2.89 -0.14 -1.26 -5.10 119.74 116.65 1q86 s LYS 87 Ca 0.13 -0.16 0.05 0.00 -1.36 0.00 0.00 55.97 54.63 1q86 s LYS 87 Cb 0.18 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.32 1q86 s LYS 87 CO 0.52 0.59 -0.17 -0.06 -0.76 0.00 0.00 175.35 175.47 1q86 s PHE 88 N -1.45 1.65 -0.99 3.18 0.40 -1.26 -5.08 117.98 114.43 1q86 s PHE 88 Ca 0.33 -0.40 -0.24 0.00 -0.60 0.00 0.00 56.93 56.02 1q86 s PHE 88 Cb -0.13 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 1q86 s PHE 88 CO 0.21 -0.10 1.91 -1.25 0.70 0.00 0.00 175.22 176.69 1q86 s PRO 89 N -0.16 2.62 -0.07 0.24 0.04 -1.26 -4.58 135.00 131.83 1q86 s PRO 89 Ca 0.01 -0.60 0.08 0.00 0.04 0.00 0.00 61.00 60.53 1q86 s PRO 89 Cb -0.09 -5.14 -0.24 0.00 0.04 0.00 0.00 34.50 29.07 1q86 s PRO 89 CO 0.01 -3.45 0.56 1.19 0.04 0.00 0.00 177.00 175.34 1q86 n PHE 90 N 13.71 1.01 -2.17 0.56 3.01 -0.76 -4.46 117.46 128.36 1q86 n PHE 90 Ca 0.41 0.32 -0.43 0.00 1.01 0.00 0.00 57.45 58.76 1q86 n PHE 90 Cb 0.47 -1.17 -0.02 0.00 -0.01 0.00 0.00 39.48 38.74 1q86 n PHE 90 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1q86 s HIS 91 N -2.58 2.14 0.19 1.38 2.46 -0.82 -4.57 115.29 113.49 1q86 s HIS 91 Ca -0.09 0.63 -0.30 0.00 0.47 0.00 0.00 55.06 55.77 1q86 s HIS 91 Cb 0.08 -4.11 -0.08 0.00 -0.13 0.00 0.00 32.58 28.34 1q86 s HIS 91 CO 0.81 -2.59 1.10 0.08 -2.47 0.00 0.00 174.74 171.67 1q86 s VAL 92 N 5.69 3.81 -0.03 0.89 1.01 0.14 -1.06 120.40 130.85 1q86 s VAL 92 Ca 0.70 1.59 0.07 0.00 0.00 0.00 0.00 61.98 64.34 1q86 s VAL 92 Cb -0.21 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1q86 s VAL 92 CO 0.31 0.29 -0.24 0.27 0.00 0.00 0.00 175.10 175.73 1q86 s ILE 93 N -0.37 1.90 0.54 2.22 -4.36 -0.33 -4.78 121.20 116.03 1q86 s ILE 93 Ca 0.49 -1.02 0.05 0.00 -0.26 0.00 0.00 60.65 59.91 1q86 s ILE 93 Cb -0.30 -1.59 0.04 0.00 1.25 0.00 0.00 42.46 41.86 1q86 s ILE 93 CO 0.36 0.54 0.38 0.00 0.24 0.00 0.00 174.94 176.45 1q86 s ARG 94 N -0.47 2.25 -0.23 0.37 1.70 -1.26 -1.36 118.95 119.95 1q86 s ARG 94 Ca 0.06 -2.05 -0.12 0.00 -0.47 0.00 0.00 55.73 53.15 1q86 s ARG 94 Cb -0.10 -2.06 0.08 0.00 -0.57 0.00 0.00 34.95 32.30 1q86 s ARG 94 CO 0.00 -0.61 0.55 -2.00 -1.08 0.00 0.00 175.30 172.16 1q86 s GLU 95 N -4.26 0.54 -1.31 3.89 2.12 -1.02 -4.84 118.70 113.81 1q86 s GLU 95 Ca 0.32 1.07 -0.15 0.00 0.36 0.00 0.00 54.97 56.56 1q86 s GLU 95 Cb -0.02 0.17 0.10 0.00 0.26 0.00 0.00 34.13 34.64 1q86 s GLU 95 CO 0.20 -0.17 1.79 -1.71 -0.54 0.00 0.00 175.26 174.83 1q86 n ASN 96 N 4.53 4.79 -3.97 -1.70 5.15 -1.26 -2.26 115.26 120.54 1q86 n ASN 96 Ca -0.19 -2.94 -0.43 0.00 -0.60 0.00 0.00 54.58 50.42 1q86 n ASN 96 Cb 0.56 -1.65 0.01 0.00 -0.53 0.00 0.00 39.78 38.16 1q86 n ASN 96 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1q86 n LYS 97 N 6.66 4.46 -0.32 1.20 2.85 -1.26 -5.02 118.16 126.72 1q86 n LYS 97 Ca 0.46 -4.46 0.00 0.00 -1.05 0.00 0.00 58.31 53.26 1q86 n LYS 97 Cb 0.42 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 1q86 n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1q86 n ASP 109 N 1.49 -1.30 0.00 -5.58 -0.08 -1.26 -4.98 116.55 104.84 1q86 n ASP 109 Ca 0.28 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1q86 n ASP 109 Cb 0.33 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1q86 n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q86 n GLY 110 N 1.04 -0.21 0.26 0.27 0.00 -1.26 -4.89 105.19 100.39 1q86 n GLY 110 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1q86 n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1q86 n MET 111 N -0.89 0.42 -2.56 1.61 2.81 -1.26 -4.85 117.12 112.40 1q86 n MET 111 Ca 0.00 -1.03 -0.40 0.00 -1.81 0.00 0.00 57.70 54.45 1q86 n MET 111 Cb 0.00 -1.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.34 1q86 n MET 111 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1q86 s ARG 112 N -0.59 4.70 -0.91 0.03 3.52 -1.26 -3.67 118.95 120.77 1q86 s ARG 112 Ca 0.08 1.71 -0.18 0.00 -0.13 0.00 0.00 55.73 57.21 1q86 s ARG 112 Cb 0.05 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 30.25 1q86 s ARG 112 CO 0.08 0.30 0.56 0.00 -0.81 0.00 0.00 175.30 175.42 1q86 n ALA 113 N 1.28 -2.46 1.29 6.12 0.00 -1.26 -4.79 120.51 120.69 1q86 n ALA 113 Ca -0.01 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.15 1q86 n ALA 113 Cb 0.45 -1.54 0.37 0.00 0.00 0.00 0.00 19.45 18.73 1q86 n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q86 n PRO 114 N -3.64 1.26 -1.64 0.00 -0.04 -1.24 -4.91 135.00 124.79 1q86 n PRO 114 Ca -0.17 -0.81 -0.49 0.00 -0.04 0.00 0.00 63.50 61.99 1q86 n PRO 114 Cb 0.53 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1q86 n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1q86 n PHE 115 N -0.16 2.18 -0.44 0.54 7.35 -1.26 -4.53 117.46 121.14 1q86 n PHE 115 Ca 0.14 0.05 -0.18 0.00 -0.76 0.00 0.00 57.45 56.71 1q86 n PHE 115 Cb 0.38 -2.64 0.16 0.00 0.35 0.00 0.00 39.48 37.73 1q86 n PHE 115 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1q86 n GLY 116 N 4.84 -3.33 3.40 7.13 0.00 -1.26 -4.89 105.19 111.08 1q86 n GLY 116 Ca 0.26 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1q86 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q86 s LYS 117 N -4.32 1.67 0.11 1.61 -2.85 -0.96 -4.74 119.74 110.26 1q86 s LYS 117 Ca 0.40 -1.20 -0.35 0.00 -1.00 0.00 0.00 55.97 53.82 1q86 s LYS 117 Cb -0.06 -1.99 -0.15 0.00 -2.06 0.00 0.00 37.83 33.58 1q86 s LYS 117 CO 0.32 0.49 1.54 -2.30 0.10 0.00 0.00 175.35 175.50 1q86 n PRO 118 N 1.26 1.86 0.00 1.78 -0.02 -1.26 -2.43 135.00 136.18 1q86 n PRO 118 Ca -0.17 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1q86 n PRO 118 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1q86 n PRO 118 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1q86 n VAL 119 N 3.34 0.00 -3.08 -1.45 0.24 -0.47 -4.85 118.33 112.06 1q86 n VAL 119 Ca 0.18 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1q86 n VAL 119 Cb 0.26 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1q86 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q86 n GLY 120 N 1.69 -0.66 3.20 7.63 0.00 -1.08 -4.81 105.19 111.16 1q86 n GLY 120 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1q86 n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q86 s THR 121 N -3.00 0.12 0.21 2.61 -4.23 -1.26 -1.19 115.64 108.90 1q86 s THR 121 Ca 0.00 -1.66 -0.10 0.00 -1.18 0.00 0.00 61.69 58.76 1q86 s THR 121 Cb 0.00 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 1q86 s THR 121 CO 0.00 -0.54 0.35 0.00 -0.54 0.00 0.00 174.62 173.89 1q86 s ALA 122 N -3.98 0.07 -0.12 3.99 0.00 -0.23 -1.91 121.76 119.58 1q86 s ALA 122 Ca 0.17 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1q86 s ALA 122 Cb 0.06 1.05 -0.01 0.00 0.00 0.00 0.00 23.12 24.22 1q86 s ALA 122 CO -0.03 -0.73 -0.17 0.00 0.00 0.00 0.00 175.76 174.83 1q86 s ALA 123 N -4.02 2.47 -0.40 0.00 0.00 0.43 -1.82 121.76 118.42 1q86 s ALA 123 Ca 0.23 -0.92 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1q86 s ALA 123 Cb 0.02 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1q86 s ALA 123 CO 0.06 0.27 0.75 1.03 0.00 0.00 0.00 175.76 177.87 1q86 s ARG 124 N 0.32 3.58 -0.13 0.00 0.52 -1.26 -0.82 118.95 121.16 1q86 s ARG 124 Ca -0.13 0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.15 1q86 s ARG 124 Cb -0.16 -3.87 -0.02 0.00 0.52 0.00 0.00 34.95 31.42 1q86 s ARG 124 CO 0.07 -0.94 -0.11 0.08 0.02 0.00 0.00 175.30 174.41 1q86 s VAL 125 N 3.09 3.23 0.01 3.52 1.01 -0.53 -4.98 120.40 125.75 1q86 s VAL 125 Ca 0.29 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1q86 s VAL 125 Cb -0.13 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1q86 s VAL 125 CO 0.19 0.52 0.46 -1.00 0.00 0.00 0.00 175.10 175.27 1q86 s HIS 126 N 0.29 3.73 0.06 5.22 3.76 -1.26 -0.86 115.29 126.22 1q86 s HIS 126 Ca -0.08 1.07 -0.37 0.00 -0.15 0.00 0.00 55.06 55.52 1q86 s HIS 126 Cb -0.15 -2.38 -0.18 0.00 1.11 0.00 0.00 32.58 30.97 1q86 s HIS 126 CO 0.05 0.57 1.10 0.41 -0.85 0.00 0.00 174.74 176.02 1q86 n GLY 127 N 1.96 -0.20 1.21 -2.22 0.00 -1.23 -0.53 105.19 104.18 1q86 n GLY 127 Ca -0.12 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1q86 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 n ALA 128 N 1.61 0.00 -1.67 4.61 0.00 0.58 -4.82 120.51 120.82 1q86 n ALA 128 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 1q86 n ALA 128 Cb 0.14 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.63 1q86 n ALA 128 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1q86 s ASN 129 N -2.75 5.68 -0.25 0.00 0.02 0.31 -4.78 114.94 113.17 1q86 s ASN 129 Ca 0.00 1.57 -0.07 0.00 -1.02 0.00 0.00 52.86 53.33 1q86 s ASN 129 Cb 0.00 -2.49 -0.02 0.00 0.02 0.00 0.00 41.25 38.76 1q86 s ASN 129 CO 0.00 -1.24 0.07 -1.38 0.02 0.00 0.00 177.10 174.57 1q86 s HIS 130 N -3.05 3.09 0.05 2.20 -3.43 -1.26 -1.64 115.29 111.25 1q86 s HIS 130 Ca 0.57 -0.50 -0.12 0.00 -0.80 0.00 0.00 55.06 54.21 1q86 s HIS 130 Cb -0.13 -2.24 -0.32 0.00 -1.43 0.00 0.00 32.58 28.46 1q86 s HIS 130 CO 0.53 -0.39 1.07 0.97 -2.00 0.00 0.00 174.74 174.92 1q86 h ILE 131 N 5.58 1.34 -4.24 -5.38 2.10 -1.50 -3.44 117.51 111.97 1q86 h ILE 131 Ca -0.38 -2.74 -0.66 0.00 1.08 0.00 0.00 64.86 62.16 1q86 h ILE 131 Cb 1.17 2.94 -0.26 0.00 -1.09 0.00 0.00 36.82 39.58 1q86 h ILE 131 CO 0.58 0.82 -0.87 -0.36 -1.08 0.00 0.00 178.15 177.24 1q86 s PHE 132 N -2.71 2.16 -0.04 2.19 0.40 -1.20 -2.02 117.98 116.77 1q86 s PHE 132 Ca -0.08 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.84 1q86 s PHE 132 Cb 0.05 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.32 1q86 s PHE 132 CO 0.93 0.13 0.05 0.42 0.70 0.00 0.00 175.22 177.44 1q86 s ILE 133 N -0.82 -0.05 0.20 0.64 -1.09 0.23 -0.15 121.20 120.15 1q86 s ILE 133 Ca 0.11 0.36 0.09 0.00 -2.23 0.00 0.00 60.65 58.97 1q86 s ILE 133 Cb -0.10 -0.17 -0.04 0.00 -1.58 0.00 0.00 42.46 40.57 1q86 s ILE 133 CO 0.02 0.17 -0.06 0.00 -1.23 0.00 0.00 174.94 173.84 1q86 s ALA 134 N 1.94 3.03 -0.16 9.38 0.00 0.03 -0.00 121.76 135.98 1q86 s ALA 134 Ca 0.02 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1q86 s ALA 134 Cb -0.12 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.25 1q86 s ALA 134 CO -0.03 0.43 -0.01 -1.58 0.00 0.00 0.00 175.76 174.57 1q86 s TRP 135 N -1.83 1.28 0.11 0.00 0.51 0.34 -2.67 118.94 116.68 1q86 s TRP 135 Ca 0.27 -0.83 0.02 0.00 -2.12 0.00 0.00 56.10 53.43 1q86 s TRP 135 Cb -0.08 -1.12 -0.04 0.00 -0.81 0.00 0.00 33.47 31.42 1q86 s TRP 135 CO 0.17 -0.56 -0.05 0.54 -0.51 0.00 0.00 176.95 176.54 1q86 s VAL 136 N 1.77 0.66 0.22 4.03 0.11 -0.63 -2.46 120.40 124.11 1q86 s VAL 136 Ca 0.01 -1.94 -0.09 0.00 -2.93 0.00 0.00 61.98 57.03 1q86 s VAL 136 Cb -0.15 -1.74 -0.07 0.00 -1.53 0.00 0.00 36.38 32.89 1q86 s VAL 136 CO -0.07 -0.82 0.53 0.20 -3.33 0.00 0.00 175.10 171.61 1q86 s ASN 137 N -3.06 6.61 0.00 3.54 0.01 -1.26 -1.44 114.94 119.34 1q86 s ASN 137 Ca 0.13 0.87 0.00 0.00 -0.71 0.00 0.00 52.86 53.16 1q86 s ASN 137 Cb 0.06 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.51 1q86 s ASN 137 CO -0.04 -0.06 0.44 -2.65 -1.51 0.00 0.00 177.10 173.28 1q86 n PRO 138 N -0.11 0.00 -2.71 -0.60 -0.02 -1.26 -4.25 135.00 126.05 1q86 n PRO 138 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1q86 n PRO 138 Cb 0.52 -0.70 0.10 0.00 -0.02 0.00 0.00 33.50 33.40 1q86 n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1q86 n ASP 139 N 2.62 -1.34 -4.15 2.55 2.03 -1.26 -5.08 116.55 111.92 1q86 n ASP 139 Ca 0.00 -2.68 -0.30 0.00 0.52 0.00 0.00 54.79 52.33 1q86 n ASP 139 Cb 0.22 0.84 -0.10 0.00 -0.72 0.00 0.00 41.12 41.36 1q86 n ASP 139 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1q86 n PRO 140 N -0.36 0.67 0.05 -0.67 -0.02 -1.26 -4.23 135.00 129.18 1q86 n PRO 140 Ca 0.01 -1.74 0.11 0.00 -2.02 0.00 0.00 63.50 59.86 1q86 n PRO 140 Cb 0.82 -3.37 -0.04 0.00 -0.02 0.00 0.00 33.50 30.89 1q86 n PRO 140 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1q86 n ASN 141 N 13.86 0.56 0.25 2.55 3.02 -1.26 -3.70 115.26 130.53 1q86 n ASN 141 Ca 0.45 0.10 0.08 0.00 -0.03 0.00 0.00 54.58 55.18 1q86 n ASN 141 Cb 0.45 0.96 0.62 0.00 -0.61 0.00 0.00 39.78 41.19 1q86 n ASN 141 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1q86 h VAL 142 N 0.00 0.95 -0.08 2.41 3.04 -1.99 0.13 116.25 120.71 1q86 h VAL 142 Ca 0.00 -0.33 -0.06 0.00 -1.01 0.00 0.00 66.70 65.30 1q86 h VAL 142 Cb 0.93 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1q86 h VAL 142 CO 0.00 0.09 -0.22 -0.33 -1.01 0.00 0.00 177.57 176.10 1q86 h GLU 143 N 0.00 0.14 0.06 4.17 5.08 -1.92 -1.95 114.58 120.15 1q86 h GLU 143 Ca -0.00 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 1q86 h GLU 143 Cb 0.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1q86 h GLU 143 CO 0.01 0.36 -1.22 1.49 -1.00 0.00 0.00 179.01 178.65 1q86 h GLU 144 N 0.13 0.12 0.00 2.33 4.57 -1.04 -2.83 114.58 117.86 1q86 h GLU 144 Ca 0.02 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1q86 h GLU 144 Cb 0.47 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1q86 h GLU 144 CO 0.03 1.04 -0.03 0.00 -1.18 0.00 0.00 179.01 178.88 1q86 h ALA 145 N 0.79 1.12 0.00 2.92 0.00 -0.42 -2.55 119.26 121.12 1q86 h ALA 145 Ca -0.11 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1q86 h ALA 145 Cb 1.89 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1q86 h ALA 145 CO 0.15 0.04 -1.84 0.91 0.00 0.00 0.00 179.25 178.51 1q86 n TRP 146 N -3.30 0.44 0.29 0.00 8.01 -0.83 -2.55 117.44 119.51 1q86 n TRP 146 Ca -0.02 0.15 0.17 0.00 -1.31 0.00 0.00 57.50 56.49 1q86 n TRP 146 Cb 0.17 -0.91 0.88 0.00 -2.01 0.00 0.00 31.31 29.44 1q86 n TRP 146 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 1q86 h ARG 147 N 0.00 0.00 0.00 -0.99 2.43 -1.21 -1.73 114.38 112.88 1q86 h ARG 147 Ca -0.23 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.68 1q86 h ARG 147 Cb 1.61 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.12 1q86 h ARG 147 CO 0.03 0.05 -1.65 0.54 -1.51 0.00 0.00 179.97 177.42 1q86 n ARG 148 N -3.37 0.63 0.04 0.20 1.74 -1.14 -4.08 116.66 110.68 1q86 n ARG 148 Ca -0.02 0.27 -0.20 0.00 -0.77 0.00 0.00 57.85 57.13 1q86 n ARG 148 Cb 0.19 -1.79 -0.11 0.00 -1.02 0.00 0.00 32.46 29.73 1q86 n ARG 148 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q86 h ALA 149 N 1.12 0.08 0.00 7.54 0.00 -1.05 -3.08 119.26 123.87 1q86 h ALA 149 Ca -0.26 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1q86 h ALA 149 Cb 1.90 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1q86 h ALA 149 CO 0.07 0.60 0.00 0.36 0.00 0.00 0.00 179.25 180.28 1q86 n LYS 150 N -3.94 0.93 0.12 0.00 0.00 -0.84 -2.12 118.16 112.30 1q86 n LYS 150 Ca -0.11 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.29 1q86 n LYS 150 Cb 0.85 -1.15 0.02 0.00 -0.00 0.00 0.00 35.03 34.76 1q86 n LYS 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1q86 h MET 151 N 0.00 0.00 -0.17 -1.58 4.05 -1.68 -3.35 114.93 112.20 1q86 h MET 151 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1q86 h MET 151 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1q86 h MET 151 CO 0.00 0.05 0.00 1.63 0.23 0.00 0.00 176.91 178.82 1q86 n LYS 152 N -2.80 2.38 -4.28 0.39 5.02 -0.90 -4.98 118.16 112.99 1q86 n LYS 152 Ca -0.00 -2.70 -0.21 0.00 -2.02 0.00 0.00 58.31 53.38 1q86 n LYS 152 Cb 0.59 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.78 1q86 n LYS 152 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1q86 s VAL 153 N -2.74 1.34 0.15 -0.18 -7.23 -1.25 -4.63 120.40 105.87 1q86 s VAL 153 Ca 0.37 -1.31 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 1q86 s VAL 153 Cb 0.31 -1.24 0.03 0.00 0.56 0.00 0.00 36.38 36.04 1q86 s VAL 153 CO 0.07 -0.09 1.60 0.74 -0.31 0.00 0.00 175.10 177.11 1q86 h THR 154 N 4.27 0.26 -3.77 5.32 2.02 -1.92 -3.45 112.91 115.64 1q86 h THR 154 Ca -0.42 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.29 1q86 h THR 154 Cb 1.18 0.26 0.18 0.00 -1.74 0.00 0.00 68.15 68.03 1q86 h THR 154 CO 0.41 0.00 0.15 -2.16 0.37 0.00 0.00 175.52 174.29 1q86 s PRO 155 N -6.00 0.28 0.24 6.66 0.04 -1.26 -5.03 135.00 129.93 1q86 s PRO 155 Ca -0.15 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 1q86 s PRO 155 Cb 0.12 -1.69 -0.08 0.00 0.04 0.00 0.00 34.50 32.89 1q86 s PRO 155 CO 0.67 -2.92 0.60 0.99 0.04 0.00 0.00 177.00 176.38 1q86 s THR 156 N -2.74 4.84 0.17 1.26 2.01 -1.26 -4.96 115.64 114.97 1q86 s THR 156 Ca 0.66 0.67 0.03 0.00 0.31 0.00 0.00 61.69 63.36 1q86 s THR 156 Cb -0.21 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1q86 s THR 156 CO 0.60 -0.05 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 1q86 s ILE 157 N -1.80 0.85 -0.16 1.82 1.01 -1.26 -2.38 121.20 119.27 1q86 s ILE 157 Ca 0.48 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.11 1q86 s ILE 157 Cb -0.12 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1q86 s ILE 157 CO 0.20 -0.56 -0.10 0.21 0.00 0.00 0.00 174.94 174.69 1q86 s ASN 158 N -3.18 4.12 -0.59 3.58 3.84 0.26 -4.96 114.94 118.02 1q86 s ASN 158 Ca 0.21 -0.35 -0.18 0.00 0.21 0.00 0.00 52.86 52.76 1q86 s ASN 158 Cb 0.05 -1.66 0.11 0.00 -0.55 0.00 0.00 41.25 39.21 1q86 s ASN 158 CO 0.03 0.10 0.65 -0.63 -2.79 0.00 0.00 177.10 174.46 1q86 s ILE 159 N 0.76 4.95 -0.18 -5.21 1.01 -1.26 -0.26 121.20 121.01 1q86 s ILE 159 Ca -0.04 -1.19 -0.08 0.00 0.00 0.00 0.00 60.65 59.34 1q86 s ILE 159 Cb -0.15 -4.45 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 1q86 s ILE 159 CO 0.01 -1.06 0.09 -0.62 0.00 0.00 0.00 174.94 173.36 1q86 s ASP 160 N 3.59 5.85 -0.18 3.58 -1.08 -0.52 -4.95 116.67 122.96 1q86 s ASP 160 Ca 0.09 0.16 -0.09 0.00 -0.52 0.00 0.00 52.55 52.20 1q86 s ASP 160 Cb -0.25 -1.99 -0.05 0.00 -1.46 0.00 0.00 42.92 39.17 1q86 s ASP 160 CO 0.05 0.20 0.11 -0.55 0.52 0.00 0.00 175.17 175.50 1q86 s SER 161 N 0.20 6.02 0.00 -0.34 0.15 -1.26 0.70 113.70 119.17 1q86 s SER 161 Ca 0.06 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1q86 s SER 161 Cb -0.12 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1q86 s SER 161 CO -0.00 0.21 0.00 -1.20 1.20 0.00 0.00 173.24 173.45 1q86 n SER 162 N 3.30 0.00 -4.57 5.45 7.64 0.11 -4.87 113.62 120.68 1q86 n SER 162 Ca -0.17 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.30 1q86 n SER 162 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1q86 n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1q86 s PRO 163 N 0.10 3.16 0.00 1.43 0.02 -1.25 -4.69 135.00 133.77 1q86 s PRO 163 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 61.00 61.53 1q86 s PRO 163 Cb 0.00 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.33 1q86 s PRO 163 CO 0.00 -2.11 0.00 0.00 -0.33 0.00 0.00 177.00 174.56 1q86 n ALA 164 N 10.26 0.00 -0.20 -1.55 0.00 -1.26 -2.29 120.51 125.47 1q86 n ALA 164 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 1q86 n ALA 164 Cb 0.50 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.10 1q86 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 165 N 0.00 3.01 2.87 0.00 0.00 -1.26 -4.53 105.19 105.27 1q86 n GLY 165 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1q86 n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q86 n ASN 166 N -0.13 6.54 -0.53 1.61 5.03 -1.26 -5.28 115.26 121.24 1q86 n ASN 166 Ca 0.27 -3.51 0.07 0.00 0.87 0.00 0.00 54.58 52.28 1q86 n ASN 166 Cb 1.03 -1.20 0.06 0.00 -1.02 0.00 0.00 39.78 38.65 1q86 n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43