#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 h THR 2 N 0.00 1.01 -2.00 0.00 2.02 -2.01 -3.49 112.91 108.44 1q86 h THR 2 Ca 0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1q86 h THR 2 Cb 0.00 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1q86 h THR 2 CO 0.00 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.75 1q86 n GLY 3 N 0.45 3.18 0.21 2.16 0.00 -1.26 -5.02 105.19 104.91 1q86 n GLY 3 Ca -0.08 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.54 1q86 n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q86 h PRO 4 N 0.00 0.28 0.00 1.61 0.11 -2.07 -2.75 132.00 129.17 1q86 h PRO 4 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1q86 h PRO 4 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1q86 h PRO 4 CO 0.00 0.59 0.00 -2.13 -0.21 0.00 0.00 178.00 176.25 1q86 n ARG 5 N -4.08 0.07 -1.82 1.05 0.63 -1.26 -4.88 116.66 106.37 1q86 n ARG 5 Ca -0.01 0.09 -0.39 0.00 -0.92 0.00 0.00 57.85 56.62 1q86 n ARG 5 Cb 0.43 -1.59 0.03 0.00 0.45 0.00 0.00 32.46 31.78 1q86 n ARG 5 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1q86 s TYR 6 N -3.04 2.38 -0.26 -0.14 5.04 -1.04 -5.01 117.35 115.28 1q86 s TYR 6 Ca 0.12 1.35 -0.02 0.00 -2.44 0.00 0.00 57.07 56.08 1q86 s TYR 6 Cb 0.16 -3.82 0.03 0.00 0.35 0.00 0.00 41.96 38.68 1q86 s TYR 6 CO 0.52 -2.83 -0.04 0.21 -1.34 0.00 0.00 175.55 172.07 1q86 s LYS 7 N -2.74 2.79 -0.22 4.97 2.47 -1.26 -4.81 119.74 120.94 1q86 s LYS 7 Ca 0.67 -1.01 -0.16 0.00 -1.56 0.00 0.00 55.97 53.91 1q86 s LYS 7 Cb -0.41 -3.04 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 1q86 s LYS 7 CO 0.50 -0.43 0.43 0.08 0.16 0.00 0.00 175.35 176.09 1q86 s VAL 8 N 1.32 5.16 0.85 4.02 1.01 -1.26 -4.99 120.40 126.51 1q86 s VAL 8 Ca -0.00 0.76 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 1q86 s VAL 8 Cb -0.17 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1q86 s VAL 8 CO -0.04 0.20 0.70 -2.65 0.00 0.00 0.00 175.10 173.31 1q86 n PRO 9 N 4.83 -0.03 -1.01 2.72 -0.02 -1.26 -4.90 135.00 135.33 1q86 n PRO 9 Ca -0.07 0.05 -0.33 0.00 -2.02 0.00 0.00 63.50 61.13 1q86 n PRO 9 Cb 0.51 -2.04 0.14 0.00 -0.02 0.00 0.00 33.50 32.09 1q86 n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1q86 s MET 10 N -3.60 1.48 0.12 -0.52 -1.94 -1.26 -4.68 119.30 108.90 1q86 s MET 10 Ca 0.64 1.68 -0.30 0.00 -1.71 0.00 0.00 55.69 56.01 1q86 s MET 10 Cb -0.27 -1.77 -0.09 0.00 2.01 0.00 0.00 34.83 34.72 1q86 s MET 10 CO 0.60 -2.31 1.60 -0.09 -0.01 0.00 0.00 175.02 174.80 1q86 h ARG 11 N -1.17 -0.58 0.00 2.03 2.43 -2.00 -0.69 114.38 114.40 1q86 h ARG 11 Ca -0.45 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1q86 h ARG 11 Cb 1.29 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1q86 h ARG 11 CO 0.45 -0.38 0.00 0.54 -1.51 0.00 0.00 179.97 179.07 1q86 n ARG 12 N -5.45 0.11 -0.08 0.20 1.74 -1.26 -0.55 116.66 111.37 1q86 n ARG 12 Ca -0.07 0.15 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 1q86 n ARG 12 Cb 0.36 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 1q86 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1q86 n ARG 13 N -1.17 0.68 -0.10 5.56 3.00 -0.36 -1.78 116.66 122.48 1q86 n ARG 13 Ca 0.03 0.09 -0.11 0.00 -0.00 0.00 0.00 57.85 57.86 1q86 n ARG 13 Cb 0.03 -1.59 -0.03 0.00 0.00 0.00 0.00 32.46 30.87 1q86 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q86 h ARG 14 N 0.00 0.49 0.00 -0.14 3.08 0.13 -2.48 114.38 115.46 1q86 h ARG 14 Ca -0.49 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1q86 h ARG 14 Cb 2.14 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.14 1q86 h ARG 14 CO 0.03 0.63 0.00 0.39 -1.07 0.00 0.00 179.97 179.95 1q86 n GLU 15 N -4.61 0.07 -3.62 0.04 1.02 -0.53 -4.89 120.64 108.13 1q86 n GLU 15 Ca -0.03 0.22 -0.20 0.00 -0.02 0.00 0.00 57.16 57.13 1q86 n GLU 15 Cb 0.24 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 1q86 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q86 n ALA 16 N -1.42 -2.02 -0.01 0.62 0.00 -0.93 -4.90 120.51 111.83 1q86 n ALA 16 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1q86 n ALA 16 Cb 0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.49 1q86 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q86 n ARG 17 N -4.22 1.19 -4.78 0.00 1.74 -0.81 -5.03 116.66 104.76 1q86 n ARG 17 Ca -0.30 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.47 1q86 n ARG 17 Cb 0.68 -1.05 -0.16 0.00 -1.02 0.00 0.00 32.46 30.91 1q86 n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1q86 s THR 18 N -2.05 2.52 -0.68 0.55 2.01 -0.74 -4.69 115.64 112.56 1q86 s THR 18 Ca -0.03 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 1q86 s THR 18 Cb 0.01 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.61 1q86 s THR 18 CO 0.06 0.53 0.78 -0.62 -0.69 0.00 0.00 174.62 174.69 1q86 s ASP 19 N 0.59 6.35 0.56 3.53 -1.08 -1.26 -4.54 116.67 120.81 1q86 s ASP 19 Ca -0.10 -1.75 0.33 0.00 -0.52 0.00 0.00 52.55 50.51 1q86 s ASP 19 Cb -0.16 -2.30 1.61 0.00 -1.46 0.00 0.00 42.92 40.61 1q86 s ASP 19 CO 0.03 -1.01 2.10 1.88 0.52 0.00 0.00 175.17 178.69 1q86 h TYR 20 N 8.89 0.00 -0.15 -5.34 -1.99 -1.97 -0.23 116.97 116.18 1q86 h TYR 20 Ca -0.16 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.36 1q86 h TYR 20 Cb 1.07 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.81 1q86 h TYR 20 CO 0.92 0.07 -0.74 0.45 -0.00 0.00 0.00 178.16 178.85 1q86 h HIS 21 N 0.00 1.04 -0.25 4.88 3.86 -2.01 -2.94 115.15 119.73 1q86 h HIS 21 Ca -0.00 -0.46 -0.17 0.00 -1.16 0.00 0.00 60.37 58.58 1q86 h HIS 21 Cb 0.34 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1q86 h HIS 21 CO 0.00 1.29 -0.50 0.37 0.86 0.00 0.00 177.93 179.95 1q86 h GLN 22 N 0.50 0.78 -0.93 2.45 4.15 -1.90 -3.02 115.11 117.13 1q86 h GLN 22 Ca -0.05 -0.50 0.20 0.00 0.77 0.00 0.00 58.65 59.07 1q86 h GLN 22 Cb 1.38 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 29.05 1q86 h GLN 22 CO 0.15 1.13 0.61 -0.09 -1.93 0.00 0.00 178.83 178.70 1q86 h ARG 23 N 0.53 0.50 -0.19 1.69 2.43 -1.05 0.19 114.38 118.47 1q86 h ARG 23 Ca 0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1q86 h ARG 23 Cb 1.10 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1q86 h ARG 23 CO 0.11 0.33 -0.28 1.25 -1.51 0.00 0.00 179.97 179.87 1q86 h LEU 24 N 0.51 0.57 -1.79 3.80 5.85 -1.39 -0.76 115.31 122.10 1q86 h LEU 24 Ca 0.50 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1q86 h LEU 24 Cb 1.09 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1q86 h LEU 24 CO -0.23 0.98 -0.13 0.03 -0.34 0.00 0.00 178.44 178.76 1q86 h ARG 25 N 0.18 0.00 0.20 1.25 3.08 -1.14 -2.40 114.38 115.55 1q86 h ARG 25 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1q86 h ARG 25 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1q86 h ARG 25 CO 0.06 0.13 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.92 1q86 h LEU 26 N 0.00 -0.23 -2.31 3.04 4.07 -0.69 -3.15 115.31 116.04 1q86 h LEU 26 Ca -0.00 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1q86 h LEU 26 Cb 0.23 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1q86 h LEU 26 CO 0.02 0.25 0.04 -0.07 -1.08 0.00 0.00 178.44 177.60 1q86 h LEU 27 N -0.80 0.00 -0.46 1.67 3.38 -0.85 -2.99 115.31 115.26 1q86 h LEU 27 Ca -0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1q86 h LEU 27 Cb 0.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1q86 h LEU 27 CO 0.05 0.00 0.10 0.11 0.09 0.00 0.00 178.44 178.78 1q86 h LYS 28 N 0.00 0.23 -0.87 1.13 1.79 -1.39 -1.85 116.57 115.61 1q86 h LYS 28 Ca 0.00 -0.01 0.23 0.00 -2.18 0.00 0.00 60.65 58.69 1q86 h LYS 28 Cb 0.09 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1q86 h LYS 28 CO 0.00 0.15 0.61 0.66 -1.08 0.00 0.00 179.45 179.79 1q86 h SER 29 N 0.23 0.13 0.00 0.86 4.64 -1.70 -3.44 113.55 114.26 1q86 h SER 29 Ca 0.23 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1q86 h SER 29 Cb 0.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1q86 h SER 29 CO -0.30 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 1q86 n GLY 30 N -1.65 0.73 3.99 -0.77 0.00 -0.70 -5.03 105.19 101.77 1q86 n GLY 30 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1q86 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q86 s LYS 31 N -0.08 3.17 0.48 1.61 1.02 -1.26 -5.08 119.74 119.60 1q86 s LYS 31 Ca 0.00 -0.95 -0.22 0.00 0.02 0.00 0.00 55.97 54.82 1q86 s LYS 31 Cb 0.00 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.42 1q86 s LYS 31 CO 0.00 0.10 1.17 -2.14 -0.92 0.00 0.00 175.35 173.56 1q86 s PRO 32 N -4.16 3.65 -0.05 -1.68 0.02 -1.25 -4.73 135.00 126.80 1q86 s PRO 32 Ca 0.43 1.77 -0.17 0.00 0.02 0.00 0.00 61.00 63.06 1q86 s PRO 32 Cb -0.09 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 1q86 s PRO 32 CO 0.31 -0.64 0.46 1.03 -0.33 0.00 0.00 177.00 177.83 1q86 s ARG 33 N -2.81 4.16 -0.82 5.54 0.52 0.12 -0.60 118.95 125.06 1q86 s ARG 33 Ca 0.66 0.46 -0.16 0.00 -0.52 0.00 0.00 55.73 56.17 1q86 s ARG 33 Cb -0.28 -3.33 0.18 0.00 0.52 0.00 0.00 34.95 32.04 1q86 s ARG 33 CO 0.34 0.43 0.84 -1.17 0.02 0.00 0.00 175.30 175.77 1q86 s LEU 34 N -0.28 6.15 -0.55 2.53 2.96 0.15 -0.05 118.68 129.59 1q86 s LEU 34 Ca 0.25 -2.35 -0.27 0.00 -0.22 0.00 0.00 54.13 51.54 1q86 s LEU 34 Cb -0.16 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 1q86 s LEU 34 CO 0.12 -0.77 1.68 -0.69 -1.32 0.00 0.00 176.35 175.37 1q86 s VAL 35 N 1.16 3.54 -0.44 1.68 1.01 0.30 -1.55 120.40 126.09 1q86 s VAL 35 Ca 0.20 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1q86 s VAL 35 Cb -0.11 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1q86 s VAL 35 CO -0.07 -0.94 0.45 0.00 0.00 0.00 0.00 175.10 174.54 1q86 s ALA 36 N 7.52 3.44 0.21 5.51 0.00 0.45 -1.51 121.76 137.39 1q86 s ALA 36 Ca 0.63 -1.62 0.10 0.00 0.00 0.00 0.00 51.96 51.07 1q86 s ALA 36 Cb -0.14 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1q86 s ALA 36 CO 0.24 -1.65 -0.18 1.03 0.00 0.00 0.00 175.76 175.20 1q86 s ARG 37 N 2.12 1.44 0.31 0.00 1.81 -0.68 -4.44 118.95 119.51 1q86 s ARG 37 Ca 0.11 -1.59 0.03 0.00 -1.72 0.00 0.00 55.73 52.56 1q86 s ARG 37 Cb -0.18 -1.46 -0.05 0.00 -0.45 0.00 0.00 34.95 32.81 1q86 s ARG 37 CO 0.12 0.28 0.10 0.15 -0.68 0.00 0.00 175.30 175.27 1q86 s LYS 38 N -3.25 1.60 0.16 3.54 1.02 -1.26 -0.72 119.74 120.83 1q86 s LYS 38 Ca 0.23 -1.90 -0.12 0.00 0.02 0.00 0.00 55.97 54.19 1q86 s LYS 38 Cb -0.04 -0.48 0.01 0.00 -0.52 0.00 0.00 37.83 36.80 1q86 s LYS 38 CO 0.10 -0.32 0.36 0.45 -0.92 0.00 0.00 175.35 175.02 1q86 s SER 39 N -3.42 -0.07 0.27 2.83 0.15 0.49 -4.89 113.70 109.05 1q86 s SER 39 Ca 0.35 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 1q86 s SER 39 Cb 0.07 0.47 0.47 0.00 -1.71 0.00 0.00 66.02 65.32 1q86 s SER 39 CO 0.15 -0.92 1.83 0.78 1.20 0.00 0.00 173.24 176.28 1q86 h ASN 40 N 2.44 0.86 0.00 5.45 2.35 -1.99 -3.13 115.58 121.55 1q86 h ASN 40 Ca -0.31 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 1q86 h ASN 40 Cb 1.24 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1q86 h ASN 40 CO 0.45 0.48 -1.80 0.29 -1.65 0.00 0.00 177.43 175.20 1q86 n LYS 41 N -4.65 0.60 -4.54 0.81 5.02 -1.26 -4.73 118.16 109.41 1q86 n LYS 41 Ca 0.16 -0.14 -0.26 0.00 -2.02 0.00 0.00 58.31 56.05 1q86 n LYS 41 Cb 0.30 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 1q86 n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1q86 s HIS 42 N -3.10 1.87 -0.11 2.13 3.76 -1.19 -2.46 115.29 116.19 1q86 s HIS 42 Ca -0.06 -1.12 -0.04 0.00 -0.15 0.00 0.00 55.06 53.69 1q86 s HIS 42 Cb 0.10 -1.29 0.06 0.00 1.11 0.00 0.00 32.58 32.56 1q86 s HIS 42 CO 0.70 -0.10 0.17 0.08 -0.85 0.00 0.00 174.74 174.74 1q86 s VAL 43 N -3.16 -0.27 0.09 -0.90 1.01 -1.24 -0.38 120.40 115.55 1q86 s VAL 43 Ca 0.25 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1q86 s VAL 43 Cb 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1q86 s VAL 43 CO 0.13 0.05 0.19 -0.60 0.00 0.00 0.00 175.10 174.88 1q86 s ARG 44 N 2.30 3.28 -0.21 2.72 3.52 0.10 -1.15 118.95 129.51 1q86 s ARG 44 Ca 0.04 -0.56 -0.04 0.00 -0.13 0.00 0.00 55.73 55.04 1q86 s ARG 44 Cb -0.13 -2.93 0.10 0.00 -1.56 0.00 0.00 34.95 30.44 1q86 s ARG 44 CO -0.07 0.57 0.28 0.00 -0.81 0.00 0.00 175.30 175.27 1q86 s ALA 45 N -1.55 -0.59 0.16 6.12 0.00 -0.29 -1.68 121.76 123.92 1q86 s ALA 45 Ca 0.33 0.56 0.11 0.00 0.00 0.00 0.00 51.96 52.96 1q86 s ALA 45 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1q86 s ALA 45 CO 0.27 -1.17 -0.25 -0.65 0.00 0.00 0.00 175.76 173.96 1q86 s GLN 46 N 2.41 1.42 -0.37 0.00 -0.21 -0.57 -1.04 119.66 121.31 1q86 s GLN 46 Ca 0.08 -1.42 -0.02 0.00 0.02 0.00 0.00 55.36 54.03 1q86 s GLN 46 Cb -0.15 -1.79 0.09 0.00 1.00 0.00 0.00 33.01 32.15 1q86 s GLN 46 CO -0.13 0.40 0.13 -0.51 -2.12 0.00 0.00 175.29 173.06 1q86 s LEU 47 N -2.37 4.81 -0.01 2.90 1.43 0.41 0.11 118.68 125.96 1q86 s LEU 47 Ca 0.17 -1.82 -0.00 0.00 -1.03 0.00 0.00 54.13 51.44 1q86 s LEU 47 Cb -0.09 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1q86 s LEU 47 CO 0.08 -0.44 0.07 -0.69 0.23 0.00 0.00 176.35 175.60 1q86 s VAL 48 N 1.15 4.68 0.41 -1.59 1.01 0.93 -1.62 120.40 125.37 1q86 s VAL 48 Ca 0.05 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1q86 s VAL 48 Cb -0.21 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 1q86 s VAL 48 CO -0.04 0.36 0.01 0.28 0.00 0.00 0.00 175.10 175.72 1q86 s THR 49 N -1.18 1.94 0.12 3.92 -1.32 0.44 0.13 115.64 119.69 1q86 s THR 49 Ca 0.22 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.56 1q86 s THR 49 Cb -0.12 -2.95 -0.07 0.00 -1.51 0.00 0.00 72.50 67.85 1q86 s THR 49 CO 0.13 0.00 0.53 -0.22 -2.21 0.00 0.00 174.62 172.85 1q86 s LEU 50 N -3.71 4.37 0.04 9.08 2.96 -1.26 -1.42 118.68 128.75 1q86 s LEU 50 Ca 0.34 1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 55.29 1q86 s LEU 50 Cb 0.10 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1q86 s LEU 50 CO 0.17 0.14 0.02 -0.83 -1.32 0.00 0.00 176.35 174.53 1q86 s GLY 51 N -1.61 0.33 0.46 7.98 0.00 -0.97 -4.73 107.32 108.78 1q86 s GLY 51 Ca 0.35 -0.89 0.26 0.00 0.00 0.00 0.00 44.72 44.45 1q86 s GLY 51 CO 0.19 -1.01 1.78 -2.55 0.00 0.00 0.00 173.10 171.50 1q86 h PRO 52 N 3.52 0.21 0.00 2.90 0.11 -1.98 -2.15 132.00 134.60 1q86 h PRO 52 Ca -0.33 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1q86 h PRO 52 Cb 1.17 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1q86 h PRO 52 CO 0.57 0.14 -0.30 0.09 -0.21 0.00 0.00 178.00 178.29 1q86 n ASN 53 N -4.46 1.54 0.00 -2.05 3.02 -1.26 -5.09 115.26 106.96 1q86 n ASN 53 Ca 0.26 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 1q86 n ASN 53 Cb 1.06 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1q86 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q86 n GLY 54 N -0.86 2.82 3.71 7.41 0.00 -0.81 -5.11 105.19 112.34 1q86 n GLY 54 Ca 0.12 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1q86 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q86 s ASP 55 N 0.00 3.67 -0.10 1.61 1.01 -1.26 -2.30 116.67 119.30 1q86 s ASP 55 Ca 0.00 2.25 0.03 0.00 0.71 0.00 0.00 52.55 55.54 1q86 s ASP 55 Cb 0.00 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.36 1q86 s ASP 55 CO 0.00 -2.61 -0.20 -1.81 0.21 0.00 0.00 175.17 170.76 1q86 s ASP 56 N -2.40 2.71 -0.33 0.27 1.01 -0.51 -4.80 116.67 112.63 1q86 s ASP 56 Ca 0.70 -0.49 -0.14 0.00 0.71 0.00 0.00 52.55 53.34 1q86 s ASP 56 Cb -0.26 -1.24 -0.02 0.00 1.01 0.00 0.00 42.92 42.41 1q86 s ASP 56 CO 0.52 0.11 0.31 -0.89 0.21 0.00 0.00 175.17 175.42 1q86 s THR 57 N 0.51 5.22 -0.21 -1.27 2.01 -1.26 -0.42 115.64 120.22 1q86 s THR 57 Ca -0.16 0.01 0.22 0.00 0.31 0.00 0.00 61.69 62.07 1q86 s THR 57 Cb -0.17 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1q86 s THR 57 CO 0.06 -0.02 0.96 0.18 -0.69 0.00 0.00 174.62 175.12 1q86 n LEU 58 N 5.26 0.74 -3.63 4.42 4.32 -0.64 -4.94 117.00 122.52 1q86 n LEU 58 Ca -0.11 0.28 -0.11 0.00 -0.02 0.00 0.00 56.01 56.05 1q86 n LEU 58 Cb 0.50 -0.05 -0.07 0.00 -1.62 0.00 0.00 43.42 42.18 1q86 n LEU 58 CO 0.38 -0.16 0.57 0.00 -1.22 0.00 0.00 177.39 176.96 1q86 s ALA 59 N -3.38 -1.88 0.24 -1.18 0.00 -1.24 -4.87 121.76 109.44 1q86 s ALA 59 Ca -0.02 1.98 -0.04 0.00 0.00 0.00 0.00 51.96 53.89 1q86 s ALA 59 Cb 0.10 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1q86 s ALA 59 CO 0.81 -0.30 0.27 -1.54 0.00 0.00 0.00 175.76 175.00 1q86 s SER 60 N 0.38 0.27 -0.28 0.00 1.04 -1.26 -0.45 113.70 113.40 1q86 s SER 60 Ca 0.01 -1.30 -0.20 0.00 0.48 0.00 0.00 55.95 54.94 1q86 s SER 60 Cb -0.05 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.62 1q86 s SER 60 CO -0.03 -0.98 0.71 0.00 0.98 0.00 0.00 173.24 173.91 1q86 s ALA 61 N -3.96 -1.84 -0.05 5.32 0.00 -0.20 -4.49 121.76 116.53 1q86 s ALA 61 Ca 0.34 2.25 0.05 0.00 0.00 0.00 0.00 51.96 54.59 1q86 s ALA 61 Cb 0.04 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 1q86 s ALA 61 CO 0.13 -0.36 -0.19 -1.58 0.00 0.00 0.00 175.76 173.76 1q86 s HIS 62 N 1.07 1.96 0.53 0.00 2.46 -1.26 -1.14 115.29 118.91 1q86 s HIS 62 Ca -0.05 -0.61 0.19 0.00 0.47 0.00 0.00 55.06 55.05 1q86 s HIS 62 Cb -0.05 -1.32 1.01 0.00 -0.13 0.00 0.00 32.58 32.10 1q86 s HIS 62 CO -0.11 -0.21 1.54 0.66 -2.47 0.00 0.00 174.74 174.15 1q86 h SER 63 N 6.30 0.00 0.03 9.88 4.64 -1.46 -0.89 113.55 132.06 1q86 h SER 63 Ca -0.31 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.90 1q86 h SER 63 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1q86 h SER 63 CO 0.47 0.00 -0.45 0.77 -0.87 0.00 0.00 176.83 176.75 1q86 h SER 64 N 0.00 0.34 0.00 4.97 4.64 -1.90 -3.15 113.55 118.45 1q86 h SER 64 Ca 0.00 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 1q86 h SER 64 Cb 1.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1q86 h SER 64 CO 0.00 1.14 0.00 -0.90 -0.87 0.00 0.00 176.83 176.20 1q86 n ASP 65 N -4.35 1.32 0.06 4.97 5.75 -0.34 -2.81 116.55 121.16 1q86 n ASP 65 Ca -0.11 -1.56 -0.23 0.00 -0.01 0.00 0.00 54.79 52.88 1q86 n ASP 65 Cb 0.62 -0.39 -0.15 0.00 -1.03 0.00 0.00 41.12 40.18 1q86 n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1q86 h LEU 66 N 0.56 0.56 -2.03 -2.12 5.85 -1.58 -3.29 115.31 113.26 1q86 h LEU 66 Ca 0.00 -0.91 0.07 0.00 0.84 0.00 0.00 57.88 57.88 1q86 h LEU 66 Cb 0.53 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1q86 h LEU 66 CO 0.00 1.70 0.19 0.00 -0.34 0.00 0.00 178.44 179.99 1q86 h ALA 67 N 0.06 2.20 0.00 1.25 0.00 -1.71 0.28 119.26 121.34 1q86 h ALA 67 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1q86 h ALA 67 Cb 1.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1q86 h ALA 67 CO 0.15 -0.32 0.15 -1.91 0.00 0.00 0.00 179.25 177.32 1q86 n GLU 68 N -4.39 0.00 -0.01 0.00 2.13 -1.24 0.88 120.64 118.00 1q86 n GLU 68 Ca 0.03 0.35 0.01 0.00 0.66 0.00 0.00 57.16 58.20 1q86 n GLU 68 Cb 0.34 -1.65 0.01 0.00 0.27 0.00 0.00 31.44 30.41 1q86 n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1q86 n TYR 69 N -1.35 0.03 0.00 4.31 4.02 0.09 -4.97 117.16 119.29 1q86 n TYR 69 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 1q86 n TYR 69 Cb 0.15 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 1q86 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q86 n GLY 70 N -0.23 1.40 3.70 2.72 0.00 0.25 -5.00 105.19 108.02 1q86 n GLY 70 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1q86 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1q86 s TRP 71 N -2.00 3.29 -0.10 1.61 -0.11 -1.18 -4.88 118.94 115.57 1q86 s TRP 71 Ca 0.00 1.27 0.14 0.00 1.22 0.00 0.00 56.10 58.73 1q86 s TRP 71 Cb 0.00 -3.40 0.30 0.00 -1.50 0.00 0.00 33.47 28.87 1q86 s TRP 71 CO 0.00 -1.22 1.15 -1.91 -4.62 0.00 0.00 176.95 170.35 1q86 n GLU 72 N 4.77 0.80 -4.60 5.86 2.13 -1.26 -4.33 120.64 124.01 1q86 n GLU 72 Ca 0.10 -2.33 -0.27 0.00 0.66 0.00 0.00 57.16 55.31 1q86 n GLU 72 Cb 0.47 -0.96 -0.10 0.00 0.27 0.00 0.00 31.44 31.11 1q86 n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q86 s ALA 73 N -1.69 3.14 1.16 4.31 0.00 -1.26 -4.41 121.76 123.00 1q86 s ALA 73 Ca 0.28 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 1q86 s ALA 73 Cb 0.28 0.32 0.19 0.00 0.00 0.00 0.00 23.12 23.90 1q86 s ALA 73 CO -0.06 -0.17 0.40 -2.30 0.00 0.00 0.00 175.76 173.64 1q86 n PRO 74 N -0.95 -2.06 -0.59 0.00 -0.02 -1.26 -4.97 135.00 125.14 1q86 n PRO 74 Ca -0.07 -0.58 0.05 0.00 -2.02 0.00 0.00 63.50 60.88 1q86 n PRO 74 Cb 0.67 -1.88 0.10 0.00 -0.02 0.00 0.00 33.50 32.37 1q86 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1q86 n THR 75 N -4.70 1.16 -2.39 3.45 -2.24 -1.26 -4.78 114.28 103.52 1q86 n THR 75 Ca 0.01 -1.74 -0.14 0.00 -2.27 0.00 0.00 64.05 59.91 1q86 n THR 75 Cb 0.59 0.18 0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1q86 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q86 n GLY 76 N -0.63 4.40 3.54 3.38 0.00 -1.03 -3.71 105.19 111.13 1q86 n GLY 76 Ca 0.11 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 1q86 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q86 s ASN 77 N -3.66 2.98 0.10 1.61 2.20 -1.26 -4.97 114.94 111.94 1q86 s ASN 77 Ca 0.41 -1.74 -0.28 0.00 -0.94 0.00 0.00 52.86 50.30 1q86 s ASN 77 Cb 0.38 0.61 -0.13 0.00 -2.00 0.00 0.00 41.25 40.12 1q86 s ASN 77 CO -0.00 -0.99 1.65 0.24 -2.94 0.00 0.00 177.10 175.05 1q86 h MET 78 N 1.69 -0.53 -1.00 3.55 2.86 -1.88 -0.66 114.93 118.95 1q86 h MET 78 Ca -0.34 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.43 1q86 h MET 78 Cb 1.28 0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.98 1q86 h MET 78 CO 0.55 -0.36 0.64 -1.35 1.06 0.00 0.00 176.91 177.45 1q86 h PRO 79 N -0.55 1.04 0.57 -0.22 0.11 -1.68 -1.22 132.00 130.04 1q86 h PRO 79 Ca -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1q86 h PRO 79 Cb 0.50 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1q86 h PRO 79 CO -0.04 0.69 -0.34 1.03 -0.21 0.00 0.00 178.00 179.12 1q86 h SER 80 N 1.07 -0.86 -0.07 -2.05 0.87 -1.77 -2.48 113.55 108.25 1q86 h SER 80 Ca 0.47 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 61.10 1q86 h SER 80 Cb 0.36 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1q86 h SER 80 CO -0.23 -0.54 -0.33 0.00 -0.53 0.00 0.00 176.83 175.20 1q86 h ALA 81 N -0.49 -0.72 -0.91 6.23 0.00 -0.36 0.11 119.26 123.13 1q86 h ALA 81 Ca -0.07 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1q86 h ALA 81 Cb 0.70 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 1q86 h ALA 81 CO 0.07 -0.83 -0.53 0.98 0.00 0.00 0.00 179.25 178.93 1q86 n TYR 82 N -4.29 -0.40 -0.18 0.00 9.36 -0.53 -0.60 117.16 120.53 1q86 n TYR 82 Ca -0.04 1.13 -0.01 0.00 3.32 0.00 0.00 57.90 62.30 1q86 n TYR 82 Cb 0.23 -0.57 0.08 0.00 -0.63 0.00 0.00 39.34 38.45 1q86 n TYR 82 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1q86 h LEU 83 N 0.00 0.12 -1.74 2.98 3.38 -1.07 0.23 115.31 119.20 1q86 h LEU 83 Ca 0.14 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1q86 h LEU 83 Cb 0.37 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1q86 h LEU 83 CO -0.85 0.08 0.21 0.74 0.09 0.00 0.00 178.44 178.72 1q86 h THR 84 N 0.32 1.03 -0.12 0.22 2.02 0.99 0.86 112.91 118.22 1q86 h THR 84 Ca 0.27 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1q86 h THR 84 Cb 0.35 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1q86 h THR 84 CO -0.31 0.06 -0.10 1.23 0.37 0.00 0.00 175.52 176.77 1q86 h GLY 85 N 0.34 0.30 1.59 2.16 0.00 0.18 -1.42 103.07 106.23 1q86 h GLY 85 Ca 0.13 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1q86 h GLY 85 CO -0.03 0.27 -0.06 -2.00 0.00 0.00 0.00 176.54 174.73 1q86 h LEU 86 N -0.10 0.48 0.04 3.11 5.85 0.72 0.46 115.31 125.87 1q86 h LEU 86 Ca 0.02 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1q86 h LEU 86 Cb 0.60 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1q86 h LEU 86 CO 0.03 0.59 -0.02 0.25 -0.34 0.00 0.00 178.44 178.95 1q86 h LEU 87 N 0.48 -0.05 -0.76 2.25 5.85 0.77 -1.40 115.31 122.45 1q86 h LEU 87 Ca 0.10 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 1q86 h LEU 87 Cb 0.40 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1q86 h LEU 87 CO 0.02 0.29 0.24 0.00 -0.34 0.00 0.00 178.44 178.66 1q86 h ALA 88 N 0.54 1.00 -0.26 1.25 0.00 -1.06 -2.15 119.26 118.58 1q86 h ALA 88 Ca -0.01 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1q86 h ALA 88 Cb 0.36 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1q86 h ALA 88 CO 0.01 0.67 -0.14 0.78 0.00 0.00 0.00 179.25 180.57 1q86 h GLY 89 N 1.13 0.07 0.93 0.00 0.00 0.06 0.22 103.07 105.47 1q86 h GLY 89 Ca 0.24 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1q86 h GLY 89 CO -0.01 -0.15 -0.06 1.41 0.00 0.00 0.00 176.54 177.72 1q86 h LEU 90 N -0.11 -0.15 -0.72 3.11 3.38 -0.96 0.15 115.31 120.00 1q86 h LEU 90 Ca 0.14 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.17 1q86 h LEU 90 Cb 0.32 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1q86 h LEU 90 CO -0.33 -0.04 0.32 0.03 0.09 0.00 0.00 178.44 178.51 1q86 h ARG 91 N -0.24 0.50 0.02 1.13 3.08 -1.14 0.33 114.38 118.06 1q86 h ARG 91 Ca -0.02 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1q86 h ARG 91 Cb 0.19 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1q86 h ARG 91 CO 0.03 0.33 -0.39 0.00 -1.07 0.00 0.00 179.97 178.87 1q86 h ALA 92 N 1.48 -0.63 -0.60 0.04 0.00 0.01 -0.92 119.26 118.64 1q86 h ALA 92 Ca 0.38 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.37 1q86 h ALA 92 Cb 0.49 0.69 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 1q86 h ALA 92 CO -0.33 -0.93 -0.08 1.96 0.00 0.00 0.00 179.25 179.87 1q86 h GLN 93 N -0.56 0.05 -0.97 0.00 1.08 0.73 0.17 115.11 115.61 1q86 h GLN 93 Ca 0.05 -0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.40 1q86 h GLN 93 Cb 0.63 -0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.97 1q86 h GLN 93 CO -0.29 0.03 0.61 0.93 -0.95 0.00 0.00 178.83 179.16 1q86 h GLU 94 N 0.05 0.76 0.00 1.46 4.39 0.25 0.12 114.58 121.60 1q86 h GLU 94 Ca 0.30 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1q86 h GLU 94 Cb 0.47 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1q86 h GLU 94 CO -0.57 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 177.79 1q86 n ALA 95 N -2.38 2.04 -0.49 3.43 0.00 0.59 -4.83 120.51 118.86 1q86 n ALA 95 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1q86 n ALA 95 Cb 0.49 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1q86 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 96 N 0.17 0.75 3.71 0.00 0.00 0.03 -5.05 105.19 104.80 1q86 n GLY 96 Ca 0.10 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1q86 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q86 s VAL 97 N -2.00 5.04 -0.08 1.61 1.01 -1.06 -4.97 120.40 119.95 1q86 s VAL 97 Ca 0.00 1.40 0.05 0.00 0.00 0.00 0.00 61.98 63.44 1q86 s VAL 97 Cb 0.00 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1q86 s VAL 97 CO 0.00 0.23 -0.00 -0.62 0.00 0.00 0.00 175.10 174.71 1q86 n GLU 98 N 3.96 2.11 -4.08 2.72 1.02 -1.26 -3.97 120.64 121.14 1q86 n GLU 98 Ca -0.01 0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1q86 n GLU 98 Cb 0.51 -1.19 -0.10 0.00 -0.02 0.00 0.00 31.44 30.63 1q86 n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1q86 s GLU 99 N -2.19 0.57 0.08 3.49 -1.05 -1.26 -0.97 118.70 117.38 1q86 s GLU 99 Ca -0.06 -1.08 -0.26 0.00 -0.15 0.00 0.00 54.97 53.42 1q86 s GLU 99 Cb 0.03 0.10 0.08 0.00 -0.44 0.00 0.00 34.13 33.90 1q86 s GLU 99 CO 0.29 -0.08 0.83 0.00 0.95 0.00 0.00 175.26 177.25 1q86 s ALA 100 N -3.22 -1.70 0.01 -0.84 0.00 -0.66 -3.88 121.76 111.47 1q86 s ALA 100 Ca 0.02 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.65 1q86 s ALA 100 Cb 0.03 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1q86 s ALA 100 CO -0.07 -0.80 -0.09 0.08 0.00 0.00 0.00 175.76 174.88 1q86 s VAL 101 N -3.35 3.49 -0.46 0.00 1.01 0.23 -4.11 120.40 117.22 1q86 s VAL 101 Ca 0.06 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1q86 s VAL 101 Cb -0.01 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1q86 s VAL 101 CO -0.07 0.40 1.32 -0.22 0.00 0.00 0.00 175.10 176.53 1q86 s LEU 102 N -1.39 3.57 -0.39 3.92 2.96 -1.26 0.31 118.68 126.40 1q86 s LEU 102 Ca 0.16 0.62 -0.15 0.00 -0.22 0.00 0.00 54.13 54.54 1q86 s LEU 102 Cb -0.11 -3.47 0.01 0.00 0.50 0.00 0.00 46.19 43.12 1q86 s LEU 102 CO 0.07 -1.42 0.30 -0.62 -1.32 0.00 0.00 176.35 173.36 1q86 s ASP 103 N 3.52 6.11 -0.18 3.68 -1.08 -0.60 -4.91 116.67 123.21 1q86 s ASP 103 Ca 0.55 -0.72 0.16 0.00 -0.52 0.00 0.00 52.55 52.02 1q86 s ASP 103 Cb -0.11 -2.16 0.71 0.00 -1.46 0.00 0.00 42.92 39.90 1q86 s ASP 103 CO 0.31 -0.41 1.63 2.30 0.52 0.00 0.00 175.17 179.52 1q86 n ILE 104 N 5.18 2.35 -0.26 4.11 -5.35 -1.26 -0.41 119.36 123.72 1q86 n ILE 104 Ca -0.11 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 60.92 1q86 n ILE 104 Cb 0.48 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 1q86 n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q86 n GLY 105 N 0.49 2.80 0.93 3.28 0.00 -1.26 -1.38 105.19 110.04 1q86 n GLY 105 Ca 0.25 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1q86 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q86 n LEU 106 N 0.00 2.52 -4.94 0.99 4.77 -1.26 -4.91 117.00 114.17 1q86 n LEU 106 Ca 0.00 -1.27 -0.25 0.00 -0.03 0.00 0.00 56.01 54.46 1q86 n LEU 106 Cb 0.00 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1q86 n LEU 106 CO 0.00 0.38 0.55 0.20 -1.33 0.00 0.00 177.39 177.19 1q86 s ASN 107 N -0.36 4.99 -0.06 -1.43 -0.87 -0.48 -5.08 114.94 111.66 1q86 s ASN 107 Ca 0.19 0.38 -0.09 0.00 -1.57 0.00 0.00 52.86 51.77 1q86 s ASN 107 Cb 0.14 -1.12 -0.05 0.00 -0.02 0.00 0.00 41.25 40.20 1q86 s ASN 107 CO 0.06 -1.44 0.25 -0.44 -2.57 0.00 0.00 177.10 172.96 1q86 s SER 108 N -4.47 6.54 0.00 -1.22 0.01 -1.26 -4.99 113.70 108.31 1q86 s SER 108 Ca 0.59 0.64 -0.01 0.00 1.31 0.00 0.00 55.95 58.49 1q86 s SER 108 Cb -0.11 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1q86 s SER 108 CO 0.43 0.36 1.68 -2.65 0.41 0.00 0.00 173.24 173.47 1q86 n PRO 109 N 1.78 0.85 -2.04 12.44 -0.02 -1.26 -4.92 135.00 141.83 1q86 n PRO 109 Ca -0.17 -0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 60.79 1q86 n PRO 109 Cb 0.54 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.76 1q86 n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q86 s THR 110 N 0.66 2.74 0.39 3.45 2.01 -1.26 -4.96 115.64 118.68 1q86 s THR 110 Ca 0.07 0.62 -0.27 0.00 0.31 0.00 0.00 61.69 62.42 1q86 s THR 110 Cb 0.03 -3.39 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 1q86 s THR 110 CO 0.00 0.10 1.48 -2.65 -0.69 0.00 0.00 174.62 172.86 1q86 n PRO 111 N 2.44 2.60 -0.96 4.92 -0.02 -1.26 -1.93 135.00 140.79 1q86 n PRO 111 Ca 0.07 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1q86 n PRO 111 Cb 0.41 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1q86 n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q86 n GLY 112 N 0.47 0.31 3.68 -1.23 0.00 -0.22 -4.92 105.19 103.27 1q86 n GLY 112 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1q86 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q86 s SER 113 N -2.09 2.95 0.29 1.61 0.01 -0.81 -4.65 113.70 111.01 1q86 s SER 113 Ca 0.00 1.49 0.03 0.00 1.31 0.00 0.00 55.95 58.79 1q86 s SER 113 Cb 0.00 -2.16 0.44 0.00 0.21 0.00 0.00 66.02 64.51 1q86 s SER 113 CO 0.00 -2.97 1.74 0.11 0.41 0.00 0.00 173.24 172.53 1q86 h LYS 114 N -1.78 0.44 -0.62 12.44 1.57 -1.94 -2.58 116.57 124.10 1q86 h LYS 114 Ca -0.51 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.11 1q86 h LYS 114 Cb 1.30 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 1q86 h LYS 114 CO 0.54 0.66 0.41 -0.39 -0.57 0.00 0.00 179.45 180.10 1q86 h VAL 115 N 0.39 1.15 0.00 0.50 -1.51 -1.94 0.37 116.25 115.21 1q86 h VAL 115 Ca 0.06 -0.29 -0.04 0.00 -1.23 0.00 0.00 66.70 65.20 1q86 h VAL 115 Cb 0.66 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1q86 h VAL 115 CO 0.05 0.15 -0.19 -0.26 -1.23 0.00 0.00 177.57 176.09 1q86 h PHE 116 N 0.84 0.00 -0.03 5.19 0.05 -1.86 0.78 116.94 121.90 1q86 h PHE 116 Ca 0.23 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.01 1q86 h PHE 116 Cb -0.08 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 37.86 1q86 h PHE 116 CO -0.03 0.19 -0.01 0.00 -0.18 0.00 0.00 178.31 178.27 1q86 h ALA 117 N 1.81 0.04 -1.00 2.45 0.00 -0.49 0.25 119.26 122.32 1q86 h ALA 117 Ca -0.00 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.85 1q86 h ALA 117 Cb 0.41 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1q86 h ALA 117 CO 0.02 -0.23 0.61 0.82 0.00 0.00 0.00 179.25 180.47 1q86 h ILE 118 N -0.34 0.80 -0.37 0.00 2.04 0.63 0.38 117.51 120.65 1q86 h ILE 118 Ca 0.01 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 1q86 h ILE 118 Cb 0.44 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1q86 h ILE 118 CO 0.00 0.16 -0.24 -0.61 0.00 0.00 0.00 178.15 177.46 1q86 h GLN 119 N 0.86 0.82 -0.33 2.37 4.15 -0.47 -1.55 115.11 120.96 1q86 h GLN 119 Ca 0.54 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1q86 h GLN 119 Cb 0.70 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1q86 h GLN 119 CO -0.33 1.02 0.21 1.49 -1.93 0.00 0.00 178.83 179.29 1q86 h GLU 120 N 0.62 0.44 0.19 1.69 4.81 0.15 -1.17 114.58 121.31 1q86 h GLU 120 Ca 0.08 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1q86 h GLU 120 Cb 0.81 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1q86 h GLU 120 CO 0.07 0.30 -0.21 0.78 -0.73 0.00 0.00 179.01 179.22 1q86 h GLY 121 N 0.44 -0.44 0.26 1.92 0.00 -1.01 -0.74 103.07 103.50 1q86 h GLY 121 Ca 0.12 0.24 0.15 0.00 0.00 0.00 0.00 47.33 47.84 1q86 h GLY 121 CO -0.03 -0.20 0.52 0.00 0.00 0.00 0.00 176.54 176.83 1q86 h ALA 122 N 0.29 1.41 0.05 3.60 0.00 -1.05 0.04 119.26 123.59 1q86 h ALA 122 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1q86 h ALA 122 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1q86 h ALA 122 CO -0.06 -0.01 -0.02 0.82 0.00 0.00 0.00 179.25 179.97 1q86 h ILE 123 N 0.73 1.08 -0.02 0.00 2.04 -0.74 -2.29 117.51 118.31 1q86 h ILE 123 Ca 0.49 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.96 1q86 h ILE 123 Cb 0.67 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1q86 h ILE 123 CO -0.34 0.10 0.05 0.44 0.00 0.00 0.00 178.15 178.40 1q86 h ASP 124 N -0.24 0.00 0.76 1.72 3.32 0.11 0.37 116.42 122.47 1q86 h ASP 124 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1q86 h ASP 124 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1q86 h ASP 124 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1q86 n ALA 125 N -2.16 1.91 0.00 3.45 0.00 -0.12 -4.85 120.51 118.74 1q86 n ALA 125 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1q86 n ALA 125 Cb 0.13 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1q86 n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 126 N 0.54 1.05 3.73 0.00 0.00 0.13 -4.56 105.19 106.08 1q86 n GLY 126 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1q86 n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q86 s LEU 127 N 0.00 4.31 -0.49 0.99 2.96 -1.10 -4.96 118.68 120.40 1q86 s LEU 127 Ca 0.00 0.94 -0.27 0.00 -0.22 0.00 0.00 54.13 54.58 1q86 s LEU 127 Cb 0.00 -2.80 0.03 0.00 0.50 0.00 0.00 46.19 43.92 1q86 s LEU 127 CO 0.00 -0.00 1.02 -1.81 -1.32 0.00 0.00 176.35 174.24 1q86 s ASP 128 N 0.50 6.52 -0.05 3.68 1.01 -0.14 -4.14 116.67 124.05 1q86 s ASP 128 Ca 0.29 0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.74 1q86 s ASP 128 Cb -0.16 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1q86 s ASP 128 CO 0.13 -1.17 -0.04 -0.63 0.21 0.00 0.00 175.17 173.66 1q86 s ILE 129 N 4.11 0.58 -0.01 0.77 1.01 -1.26 -1.65 121.20 124.74 1q86 s ILE 129 Ca 0.41 -0.12 -0.33 0.00 0.00 0.00 0.00 60.65 60.61 1q86 s ILE 129 Cb -0.09 -0.61 -0.11 0.00 0.01 0.00 0.00 42.46 41.65 1q86 s ILE 129 CO 0.28 0.25 1.87 -2.65 0.00 0.00 0.00 174.94 174.68 1q86 n PRO 130 N 4.26 2.40 -3.82 2.79 -0.02 -1.26 -4.92 135.00 134.43 1q86 n PRO 130 Ca -0.21 0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 1q86 n PRO 130 Cb 0.51 -2.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 1q86 n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1q86 n HIS 131 N 6.39 -1.14 -3.55 6.00 1.44 -1.26 -4.73 115.22 118.36 1q86 n HIS 131 Ca 0.21 -2.25 -0.29 0.00 -2.01 0.00 0.00 57.72 53.39 1q86 n HIS 131 Cb 0.33 0.42 -0.15 0.00 0.12 0.00 0.00 29.99 30.71 1q86 n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1q86 s ASN 132 N -3.00 3.38 0.32 4.39 3.84 -1.26 -5.06 114.94 117.55 1q86 s ASN 132 Ca 0.29 -1.20 0.04 0.00 0.21 0.00 0.00 52.86 52.20 1q86 s ASN 132 Cb -0.00 -0.34 0.83 0.00 -0.55 0.00 0.00 41.25 41.19 1q86 s ASN 132 CO 0.21 -0.43 1.57 0.44 -2.79 0.00 0.00 177.10 176.10 1q86 h ASP 133 N 8.41 -0.39 -0.09 -4.21 3.32 -2.01 -1.85 116.42 119.60 1q86 h ASP 133 Ca -0.19 0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1q86 h ASP 133 Cb 1.03 0.47 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 1q86 h ASP 133 CO 0.42 -0.37 0.01 -0.90 -1.72 0.00 0.00 179.24 176.68 1q86 n ASP 134 N -5.47 1.83 -0.21 6.45 5.68 -1.26 -2.29 116.55 121.28 1q86 n ASP 134 Ca 0.25 -2.14 0.03 0.00 -0.50 0.00 0.00 54.79 52.44 1q86 n ASP 134 Cb 0.82 -0.53 0.01 0.00 -1.14 0.00 0.00 41.12 40.29 1q86 n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1q86 n VAL 135 N 0.11 0.00 -2.95 2.12 3.14 -0.69 -4.97 118.33 115.08 1q86 n VAL 135 Ca 0.04 -0.46 -0.23 0.00 -2.96 0.00 0.00 64.34 60.74 1q86 n VAL 135 Cb 0.41 1.11 0.01 0.00 -1.06 0.00 0.00 33.84 34.31 1q86 n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1q86 s LEU 136 N -1.10 3.63 0.79 6.55 1.43 -0.97 -1.06 118.68 127.96 1q86 s LEU 136 Ca 0.07 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1q86 s LEU 136 Cb 0.06 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 43.16 1q86 s LEU 136 CO 0.14 -0.72 1.09 0.00 0.23 0.00 0.00 176.35 177.09 1q86 s ALA 137 N -2.58 2.28 -0.74 4.21 0.00 -1.26 -4.31 121.76 119.36 1q86 s ALA 137 Ca 0.49 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 1q86 s ALA 137 Cb -0.10 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1q86 s ALA 137 CO 0.38 -1.69 2.94 -0.40 0.00 0.00 0.00 175.76 176.99 1q86 n ASP 138 N -3.41 6.92 0.00 0.00 5.75 -1.26 -4.88 116.55 119.66 1q86 n ASP 138 Ca 0.07 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 1q86 n ASP 138 Cb 0.56 -1.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 1q86 n ASP 138 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1q86 n TRP 139 N 1.96 0.00 -0.06 2.11 -0.00 -1.26 -4.13 117.44 116.05 1q86 n TRP 139 Ca 0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.95 1q86 n TRP 139 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.79 1q86 n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1q86 h GLN 140 N 0.00 0.31 0.00 5.87 1.08 -1.99 0.43 115.11 120.81 1q86 h GLN 140 Ca 0.00 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1q86 h GLN 140 Cb 0.00 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1q86 h GLN 140 CO 0.00 0.38 -0.13 -0.09 -0.95 0.00 0.00 178.83 178.04 1q86 h ARG 141 N 0.18 0.00 -0.31 1.46 2.43 -1.94 0.05 114.38 116.25 1q86 h ARG 141 Ca 0.07 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1q86 h ARG 141 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1q86 h ARG 141 CO -0.00 0.13 -0.33 1.15 -1.51 0.00 0.00 179.97 179.41 1q86 h THR 142 N 0.00 1.28 -0.24 0.20 2.02 -1.64 -2.54 112.91 111.99 1q86 h THR 142 Ca -0.00 -1.48 -0.09 0.00 0.77 0.00 0.00 66.41 65.61 1q86 h THR 142 Cb 0.26 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1q86 h THR 142 CO 0.02 0.48 -0.26 0.03 0.37 0.00 0.00 175.52 176.16 1q86 h ARG 143 N 0.57 0.45 0.00 6.66 3.08 0.87 -2.54 114.38 123.48 1q86 h ARG 143 Ca 0.06 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1q86 h ARG 143 Cb 0.85 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1q86 h ARG 143 CO 0.07 0.68 0.00 0.41 -1.07 0.00 0.00 179.97 180.06 1q86 n GLY 144 N -0.38 1.76 0.15 0.04 0.00 -0.33 -4.56 105.19 101.86 1q86 n GLY 144 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1q86 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 h ALA 145 N 0.00 0.54 0.00 4.61 0.00 -1.46 -2.80 119.26 120.15 1q86 h ALA 145 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1q86 h ALA 145 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1q86 h ALA 145 CO 0.00 0.84 -0.04 1.12 0.00 0.00 0.00 179.25 181.17 1q86 h HIS 146 N 0.17 0.00 0.14 0.00 2.07 -1.83 -1.65 115.15 114.04 1q86 h HIS 146 Ca -0.04 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.13 1q86 h HIS 146 Cb 1.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.41 1q86 h HIS 146 CO 0.04 0.04 -1.82 0.97 -3.07 0.00 0.00 177.93 174.09 1q86 h ILE 147 N 0.00 0.83 0.36 6.12 2.10 -1.91 -3.01 117.51 122.01 1q86 h ILE 147 Ca -0.00 -2.50 -0.01 0.00 1.08 0.00 0.00 64.86 63.43 1q86 h ILE 147 Cb 0.11 2.63 -0.00 0.00 -1.09 0.00 0.00 36.82 38.47 1q86 h ILE 147 CO 0.01 0.84 -0.19 0.00 -1.08 0.00 0.00 178.15 177.72 1q86 h ALA 148 N 0.22 -0.51 -0.44 0.18 0.00 -1.18 -1.25 119.26 116.28 1q86 h ALA 148 Ca -0.36 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.50 1q86 h ALA 148 Cb 2.06 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 20.05 1q86 h ALA 148 CO 0.13 -0.79 0.30 0.93 0.00 0.00 0.00 179.25 179.82 1q86 h GLU 149 N -0.52 0.38 0.00 0.00 5.08 -1.47 0.14 114.58 118.19 1q86 h GLU 149 Ca -0.04 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1q86 h GLU 149 Cb 0.41 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1q86 h GLU 149 CO 0.06 0.25 -0.29 -0.92 -1.00 0.00 0.00 179.01 177.12 1q86 h TYR 150 N 0.39 0.00 0.00 4.33 3.20 -1.21 -0.72 116.97 122.97 1q86 h TYR 150 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1q86 h TYR 150 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1q86 h TYR 150 CO -0.00 0.29 -0.18 -3.47 -1.64 0.00 0.00 178.16 173.15 1q86 n ASP 151 N -4.08 0.42 0.08 -2.11 -0.08 -0.02 -2.93 116.55 107.83 1q86 n ASP 151 Ca -0.02 0.33 -0.02 0.00 -1.51 0.00 0.00 54.79 53.57 1q86 n ASP 151 Cb 0.34 -0.35 0.25 0.00 2.34 0.00 0.00 41.12 43.70 1q86 n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1q86 h GLU 152 N 0.00 0.29 -1.56 -0.67 4.57 -0.50 -0.06 114.58 116.65 1q86 h GLU 152 Ca 0.00 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 1q86 h GLU 152 Cb 0.60 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 1q86 h GLU 152 CO 0.00 0.59 0.11 1.04 -1.18 0.00 0.00 179.01 179.57 1q86 n GLN 153 N -4.09 1.20 0.00 1.92 6.02 -1.15 -4.78 117.38 116.51 1q86 n GLN 153 Ca -0.01 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1q86 n GLN 153 Cb 0.43 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.52 1q86 n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1q86 n LEU 154 N 0.86 0.00 0.00 1.08 7.94 -0.04 -4.78 117.00 122.06 1q86 n LEU 154 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1q86 n LEU 154 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1q86 n LEU 154 CO 0.10 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.59 1q86 n GLU 155 N 0.00 0.00 -3.66 1.96 2.13 -1.26 -4.88 120.64 114.93 1q86 n GLU 155 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1q86 n GLU 155 Cb 0.00 -0.18 -0.07 0.00 0.27 0.00 0.00 31.44 31.46 1q86 n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1q86 s GLU 156 N -0.24 0.56 -0.01 5.31 2.02 -1.26 -5.14 118.70 119.94 1q86 s GLU 156 Ca 0.00 1.18 -0.38 0.00 0.02 0.00 0.00 54.97 55.79 1q86 s GLU 156 Cb 0.00 0.32 -0.17 0.00 0.10 0.00 0.00 34.13 34.38 1q86 s GLU 156 CO 0.00 -0.18 1.38 -2.30 0.02 0.00 0.00 175.26 174.18 1q86 n PRO 157 N 4.74 0.94 0.22 0.39 -0.02 -1.26 -4.84 135.00 135.16 1q86 n PRO 157 Ca -0.17 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.71 1q86 n PRO 157 Cb 0.54 -1.96 0.51 0.00 -0.02 0.00 0.00 33.50 32.57 1q86 n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1q86 h LEU 158 N 4.81 0.00 -8.56 2.45 5.85 -1.91 -3.40 115.31 114.56 1q86 h LEU 158 Ca -0.48 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 57.58 1q86 h LEU 158 Cb 1.35 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 42.14 1q86 h LEU 158 CO 0.80 0.22 -0.62 -0.31 -0.34 0.00 0.00 178.44 178.19 1q86 s TYR 159 N -4.40 3.10 -0.68 1.25 1.51 -1.26 -5.04 117.35 111.83 1q86 s TYR 159 Ca -0.03 -0.59 -0.26 0.00 -1.01 0.00 0.00 57.07 55.17 1q86 s TYR 159 Cb 0.15 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1q86 s TYR 159 CO 0.68 -0.43 1.88 0.45 -1.11 0.00 0.00 175.55 177.02 1q86 s SER 160 N 1.58 5.24 0.00 2.29 0.15 -1.26 -4.36 113.70 117.34 1q86 s SER 160 Ca 0.05 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1q86 s SER 160 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1q86 s SER 160 CO 0.03 -2.46 0.00 0.61 1.20 0.00 0.00 173.24 172.62 1q86 n GLY 161 N 5.95 1.70 0.93 9.45 0.00 -1.26 -4.90 105.19 117.06 1q86 n GLY 161 Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1q86 n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q86 n ASP 162 N 3.51 0.00 -4.44 1.61 9.92 -1.26 -4.57 116.55 121.32 1q86 n ASP 162 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1q86 n ASP 162 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1q86 n ASP 162 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1q86 s PHE 163 N 0.00 2.35 0.11 1.24 -0.00 -1.26 -5.08 117.98 115.34 1q86 s PHE 163 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 56.93 56.59 1q86 s PHE 163 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 43.02 41.86 1q86 s PHE 163 CO 0.00 0.50 0.00 -0.40 -0.00 0.00 0.00 175.22 175.32 1q86 n ASP 164 N 0.24 -3.79 0.00 1.98 5.68 -1.26 -4.75 116.55 114.65 1q86 n ASP 164 Ca -0.12 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 1q86 n ASP 164 Cb 0.56 -1.62 0.00 0.00 -1.14 0.00 0.00 41.12 38.92 1q86 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q86 n ALA 165 N -0.92 2.30 0.11 2.12 0.00 -1.26 -4.73 120.51 118.13 1q86 n ALA 165 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1q86 n ALA 165 Cb 0.22 0.30 0.26 0.00 0.00 0.00 0.00 19.45 20.23 1q86 n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q86 n ALA 166 N -2.31 2.41 -1.33 0.00 0.00 -1.26 -4.48 120.51 113.54 1q86 n ALA 166 Ca 0.00 -1.04 0.17 0.00 0.00 0.00 0.00 53.44 52.57 1q86 n ALA 166 Cb 0.30 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1q86 n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q86 n ASP 167 N 1.24 -7.68 -3.44 0.00 8.00 -1.26 -4.74 116.55 108.67 1q86 n ASP 167 Ca 0.20 0.79 -0.20 0.00 0.71 0.00 0.00 54.79 56.28 1q86 n ASP 167 Cb 0.50 -4.22 -0.11 0.00 -0.02 0.00 0.00 41.12 37.27 1q86 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1q86 s LEU 168 N -6.64 -0.03 0.12 0.64 1.43 -1.26 -4.93 118.68 108.02 1q86 s LEU 168 Ca 0.00 -0.90 0.20 0.00 -1.03 0.00 0.00 54.13 52.40 1q86 s LEU 168 Cb 0.00 0.27 0.82 0.00 0.03 0.00 0.00 46.19 47.31 1q86 s LEU 168 CO 0.00 -0.40 1.61 -2.65 0.23 0.00 0.00 176.35 175.14 1q86 n PRO 169 N 5.29 0.09 -0.07 1.29 -0.02 -1.26 -1.70 135.00 138.63 1q86 n PRO 169 Ca -0.03 0.30 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 1q86 n PRO 169 Cb 0.45 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 1q86 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1q86 h GLU 170 N 0.00 0.65 -0.60 -0.52 3.07 -1.91 -2.39 114.58 112.88 1q86 h GLU 170 Ca 0.00 -0.40 0.17 0.00 -0.50 0.00 0.00 59.36 58.63 1q86 h GLU 170 Cb 0.34 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1q86 h GLU 170 CO 0.00 1.02 0.48 1.25 -1.40 0.00 0.00 179.01 180.36 1q86 h HIS 171 N 0.36 0.00 0.28 4.33 2.76 -1.72 0.26 115.15 121.41 1q86 h HIS 171 Ca 0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1q86 h HIS 171 Cb 0.97 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.94 1q86 h HIS 171 CO 0.08 0.00 -0.13 0.35 -1.30 0.00 0.00 177.93 176.93 1q86 h PHE 172 N 0.00 -0.35 -0.24 5.26 3.57 -1.47 -2.52 116.94 121.20 1q86 h PHE 172 Ca 0.29 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.82 1q86 h PHE 172 Cb 1.24 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.06 1q86 h PHE 172 CO 0.00 -0.03 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.57 1q86 h ASP 173 N -0.68 -0.18 -0.95 0.41 3.32 -0.41 0.31 116.42 118.23 1q86 h ASP 173 Ca -0.04 0.07 0.16 0.00 0.02 0.00 0.00 57.03 57.24 1q86 h ASP 173 Cb 0.47 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.07 1q86 h ASP 173 CO 0.06 -0.06 0.60 -0.33 -1.72 0.00 0.00 179.24 177.80 1q86 h GLU 174 N 0.03 0.72 0.00 3.56 5.08 -1.08 0.33 114.58 123.22 1q86 h GLU 174 Ca 0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1q86 h GLU 174 Cb 0.17 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1q86 h GLU 174 CO -0.23 0.48 -0.00 1.25 -1.00 0.00 0.00 179.01 179.51 1q86 h LEU 175 N 0.74 -0.00 -0.35 1.33 5.85 -0.81 -1.92 115.31 120.14 1q86 h LEU 175 Ca 0.50 -0.74 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1q86 h LEU 175 Cb 0.78 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1q86 h LEU 175 CO -0.26 0.74 0.01 -0.09 -0.34 0.00 0.00 178.44 178.50 1q86 h ARG 176 N -0.74 0.11 -0.61 1.25 2.43 -0.47 -0.76 114.38 115.60 1q86 h ARG 176 Ca -0.00 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 1q86 h ARG 176 Cb 0.74 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.16 1q86 h ARG 176 CO 0.00 0.07 -0.01 1.49 -1.51 0.00 0.00 179.97 180.02 1q86 h GLU 177 N 0.12 0.11 -0.24 0.20 4.57 -0.39 -2.00 114.58 116.95 1q86 h GLU 177 Ca 0.17 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.37 1q86 h GLU 177 Cb 0.23 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1q86 h GLU 177 CO -0.28 0.07 0.09 1.15 -1.18 0.00 0.00 179.01 178.87 1q86 h THR 178 N 0.11 0.96 0.00 0.32 2.02 -0.34 -2.62 112.91 113.36 1q86 h THR 178 Ca 0.32 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1q86 h THR 178 Cb 0.51 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1q86 h THR 178 CO -0.53 0.04 0.00 -0.07 0.37 0.00 0.00 175.52 175.33 1q86 h LEU 179 N 0.21 0.00 -2.57 2.58 3.38 -0.53 -3.20 115.31 115.18 1q86 h LEU 179 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1q86 h LEU 179 Cb 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1q86 h LEU 179 CO -0.09 0.00 0.18 0.18 0.09 0.00 0.00 178.44 178.80 1q86 n LEU 180 N -2.78 4.07 0.00 1.67 4.77 -0.99 -4.80 117.00 118.95 1q86 n LEU 180 Ca -0.01 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 1q86 n LEU 180 Cb 0.15 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1q86 n LEU 180 CO 0.20 0.66 0.00 -0.90 -1.33 0.00 0.00 177.39 176.02 1q86 n ASP 181 N 0.06 0.00 0.00 -1.43 5.75 -1.21 -5.09 116.55 114.63 1q86 n ASP 181 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1q86 n ASP 181 Cb 0.82 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 1q86 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q86 n GLY 182 N 0.00 2.52 0.98 6.12 0.00 -1.26 -5.00 105.19 108.55 1q86 n GLY 182 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1q86 n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q86 n ASP 183 N 7.29 -0.72 -4.76 1.61 5.75 -1.26 -4.70 116.55 119.75 1q86 n ASP 183 Ca 0.00 0.16 -0.33 0.00 -0.01 0.00 0.00 54.79 54.61 1q86 n ASP 183 Cb 0.00 -1.81 0.06 0.00 -1.03 0.00 0.00 41.12 38.34 1q86 n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1q86 s ILE 184 N -4.25 3.12 -1.44 2.12 -1.09 -1.26 -3.88 121.20 114.52 1q86 s ILE 184 Ca 0.00 0.49 -0.05 0.00 -2.23 0.00 0.00 60.65 58.86 1q86 s ILE 184 Cb 0.00 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.89 1q86 s ILE 184 CO 0.00 -0.35 0.66 -0.62 -1.23 0.00 0.00 174.94 173.39 1q86 n GLU 185 N -2.70 -5.06 0.00 2.79 1.02 -1.26 -5.15 120.64 110.28 1q86 n GLU 185 Ca 0.10 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1q86 n GLU 185 Cb 0.52 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.31 1q86 n GLU 185 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59