#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 h THR 2 N 0.00 1.08 -3.52 0.00 2.02 -2.01 -3.48 112.91 107.00 1q81 h THR 2 Ca 0.00 -0.74 -0.21 0.00 0.77 0.00 0.00 66.41 66.23 1q81 h THR 2 Cb 0.00 1.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1q81 h THR 2 CO 0.00 0.18 -0.10 0.61 0.37 0.00 0.00 175.52 176.58 1q81 n GLY 3 N -0.20 2.30 0.26 2.16 0.00 -1.26 -5.02 105.19 103.43 1q81 n GLY 3 Ca -0.09 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.42 1q81 n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q81 h PRO 4 N 0.00 0.30 -0.07 1.61 0.11 -2.08 -1.93 132.00 129.94 1q81 h PRO 4 Ca -0.21 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1q81 h PRO 4 Cb 0.92 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1q81 h PRO 4 CO 0.29 0.33 0.00 -2.13 -0.21 0.00 0.00 178.00 176.28 1q81 n ARG 5 N -4.36 1.46 -2.75 1.05 0.63 -1.26 -4.90 116.66 106.53 1q81 n ARG 5 Ca 0.00 -0.69 -0.41 0.00 -0.92 0.00 0.00 57.85 55.84 1q81 n ARG 5 Cb 0.19 -1.40 -0.05 0.00 0.45 0.00 0.00 32.46 31.65 1q81 n ARG 5 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1q81 s TYR 6 N -1.91 3.85 -0.40 -0.14 5.04 -0.73 -5.03 117.35 118.03 1q81 s TYR 6 Ca 0.35 1.81 -0.13 0.00 -2.44 0.00 0.00 57.07 56.65 1q81 s TYR 6 Cb 0.18 -3.03 0.02 0.00 0.35 0.00 0.00 41.96 39.48 1q81 s TYR 6 CO 0.28 0.27 0.26 0.21 -1.34 0.00 0.00 175.55 175.23 1q81 s LYS 7 N -0.26 2.92 -0.21 4.97 2.47 -1.26 -4.71 119.74 123.66 1q81 s LYS 7 Ca 0.45 -1.04 -0.17 0.00 -1.56 0.00 0.00 55.97 53.65 1q81 s LYS 7 Cb -0.24 -3.88 -0.04 0.00 -1.46 0.00 0.00 37.83 32.22 1q81 s LYS 7 CO 0.30 -0.73 0.45 0.08 0.16 0.00 0.00 175.35 175.61 1q81 s VAL 8 N 1.63 5.15 1.07 4.02 1.01 -1.26 -5.04 120.40 126.98 1q81 s VAL 8 Ca 0.04 0.80 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 1q81 s VAL 8 Cb -0.19 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.53 1q81 s VAL 8 CO 0.09 0.21 0.02 -2.65 0.00 0.00 0.00 175.10 172.76 1q81 n PRO 9 N 4.73 -1.83 -2.63 2.72 -0.02 -1.26 -4.91 135.00 131.79 1q81 n PRO 9 Ca -0.07 -0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 60.49 1q81 n PRO 9 Cb 0.51 -1.55 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 1q81 n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1q81 s MET 10 N -3.36 4.62 0.20 -0.52 -1.94 -1.26 -4.85 119.30 112.19 1q81 s MET 10 Ca 0.46 1.56 -0.20 0.00 -1.71 0.00 0.00 55.69 55.81 1q81 s MET 10 Cb -0.07 -3.04 0.15 0.00 2.01 0.00 0.00 34.83 33.88 1q81 s MET 10 CO 0.52 0.27 1.48 -2.13 -0.01 0.00 0.00 175.02 175.15 1q81 n ARG 11 N 0.96 -0.28 0.00 2.03 0.63 -1.26 0.53 116.66 119.28 1q81 n ARG 11 Ca 0.00 1.47 0.01 0.00 -0.92 0.00 0.00 57.85 58.41 1q81 n ARG 11 Cb 0.47 -2.17 0.05 0.00 0.45 0.00 0.00 32.46 31.25 1q81 n ARG 11 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1q81 n ARG 12 N -5.36 0.27 -0.04 -0.14 1.74 -1.26 -0.76 116.66 111.11 1q81 n ARG 12 Ca 0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1q81 n ARG 12 Cb 0.35 -1.09 -0.05 0.00 -1.02 0.00 0.00 32.46 30.65 1q81 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1q81 n ARG 13 N -0.59 1.92 0.06 5.56 3.00 0.19 -1.29 116.66 125.51 1q81 n ARG 13 Ca 0.01 0.02 -0.12 0.00 -0.00 0.00 0.00 57.85 57.76 1q81 n ARG 13 Cb 0.01 -1.17 -0.07 0.00 0.00 0.00 0.00 32.46 31.23 1q81 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q81 h ARG 14 N 0.00 -0.07 0.00 -0.14 3.08 -0.29 -0.50 114.38 116.46 1q81 h ARG 14 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1q81 h ARG 14 Cb 1.37 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1q81 h ARG 14 CO -0.00 -0.05 0.00 0.39 -1.07 0.00 0.00 179.97 179.24 1q81 n GLU 15 N -5.14 0.03 -3.52 0.04 1.02 -0.70 -4.87 120.64 107.50 1q81 n GLU 15 Ca -0.07 0.25 -0.22 0.00 -0.02 0.00 0.00 57.16 57.11 1q81 n GLU 15 Cb 0.07 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.07 1q81 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q81 n ALA 16 N -1.47 -1.32 -0.11 0.62 0.00 -0.20 -4.93 120.51 113.10 1q81 n ALA 16 Ca 0.04 0.34 -0.22 0.00 0.00 0.00 0.00 53.44 53.59 1q81 n ALA 16 Cb 0.15 -4.96 -0.08 0.00 0.00 0.00 0.00 19.45 14.56 1q81 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q81 n ARG 17 N -4.70 0.48 -4.23 0.00 1.74 -0.97 -4.99 116.66 104.00 1q81 n ARG 17 Ca -0.02 0.19 -0.34 0.00 -0.77 0.00 0.00 57.85 56.91 1q81 n ARG 17 Cb 0.57 -1.32 -0.14 0.00 -1.02 0.00 0.00 32.46 30.55 1q81 n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1q81 s THR 18 N -2.41 3.21 -0.79 0.55 2.01 -0.41 -4.59 115.64 113.20 1q81 s THR 18 Ca -0.31 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 60.89 1q81 s THR 18 Cb 0.11 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 70.27 1q81 s THR 18 CO 0.41 0.47 1.18 -0.62 -0.69 0.00 0.00 174.62 175.37 1q81 s ASP 19 N 1.03 6.30 0.21 3.53 -1.08 -1.26 -4.60 116.67 120.80 1q81 s ASP 19 Ca -0.00 -1.06 -0.09 0.00 -0.52 0.00 0.00 52.55 50.88 1q81 s ASP 19 Cb -0.15 -2.49 0.15 0.00 -1.46 0.00 0.00 42.92 38.97 1q81 s ASP 19 CO -0.01 -1.53 1.80 1.88 0.52 0.00 0.00 175.17 177.83 1q81 h TYR 20 N 9.65 1.10 -0.72 -5.34 -1.99 -1.96 0.33 116.97 118.04 1q81 h TYR 20 Ca -0.12 -0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.61 1q81 h TYR 20 Cb 1.05 -0.34 -0.05 0.00 2.00 0.00 0.00 36.73 39.38 1q81 h TYR 20 CO 1.11 0.81 0.43 0.45 -0.00 0.00 0.00 178.16 180.95 1q81 h HIS 21 N 1.08 0.79 0.00 4.88 3.86 -2.01 0.15 115.15 123.90 1q81 h HIS 21 Ca 0.26 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.45 1q81 h HIS 21 Cb 0.12 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1q81 h HIS 21 CO 0.01 0.40 -0.22 0.37 0.86 0.00 0.00 177.93 179.35 1q81 h GLN 22 N 0.79 0.00 -0.09 2.45 4.15 -1.85 -2.98 115.11 117.58 1q81 h GLN 22 Ca 0.32 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.54 1q81 h GLN 22 Cb 0.16 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1q81 h GLN 22 CO -0.17 0.22 -0.74 -0.09 -1.93 0.00 0.00 178.83 176.12 1q81 h ARG 23 N 0.00 0.48 0.14 1.69 2.43 0.14 -2.21 114.38 117.04 1q81 h ARG 23 Ca -0.00 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 1q81 h ARG 23 Cb 0.75 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1q81 h ARG 23 CO 0.03 1.03 -0.07 1.25 -1.51 0.00 0.00 179.97 180.70 1q81 h LEU 24 N 0.32 -0.16 -0.64 3.80 5.85 -0.92 -1.09 115.31 122.47 1q81 h LEU 24 Ca -0.04 -0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.60 1q81 h LEU 24 Cb 1.33 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.32 1q81 h LEU 24 CO 0.13 0.12 0.19 0.03 -0.34 0.00 0.00 178.44 178.57 1q81 h ARG 25 N -0.44 0.33 0.13 1.25 3.08 -1.54 -2.12 114.38 115.07 1q81 h ARG 25 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1q81 h ARG 25 Cb 0.35 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1q81 h ARG 25 CO 0.03 0.22 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.96 1q81 h LEU 26 N 0.34 -0.31 -1.33 3.04 4.07 -1.17 -2.55 115.31 117.41 1q81 h LEU 26 Ca 0.34 0.02 0.35 0.00 0.08 0.00 0.00 57.88 58.67 1q81 h LEU 26 Cb 0.49 0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.28 1q81 h LEU 26 CO -0.38 -0.16 1.21 -0.07 -1.08 0.00 0.00 178.44 177.96 1q81 h LEU 27 N -0.24 0.00 -1.32 1.67 3.38 -0.77 -2.09 115.31 115.94 1q81 h LEU 27 Ca -0.02 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.10 1q81 h LEU 27 Cb 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1q81 h LEU 27 CO -0.00 0.00 0.57 0.11 0.09 0.00 0.00 178.44 179.20 1q81 h LYS 28 N 0.00 0.64 0.00 1.13 1.79 -0.95 -0.12 116.57 119.05 1q81 h LYS 28 Ca 0.57 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 59.00 1q81 h LYS 28 Cb 2.98 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 33.49 1q81 h LYS 28 CO -0.01 0.42 -0.01 0.66 -1.08 0.00 0.00 179.45 179.44 1q81 h SER 29 N 0.66 0.00 -0.02 0.86 4.64 -1.54 -3.46 113.55 114.70 1q81 h SER 29 Ca 0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 1q81 h SER 29 Cb 0.74 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1q81 h SER 29 CO -0.20 0.01 -0.01 0.61 -0.87 0.00 0.00 176.83 176.38 1q81 n GLY 30 N -1.30 0.41 3.99 -0.77 0.00 -0.06 -5.02 105.19 102.44 1q81 n GLY 30 Ca -0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1q81 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q81 s LYS 31 N -0.58 2.36 0.57 1.61 1.02 -1.26 -5.10 119.74 118.36 1q81 s LYS 31 Ca 0.00 -1.68 -0.15 0.00 0.02 0.00 0.00 55.97 54.15 1q81 s LYS 31 Cb 0.00 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 1q81 s LYS 31 CO 0.00 -0.71 1.03 -2.14 -0.92 0.00 0.00 175.35 172.61 1q81 s PRO 32 N -4.51 3.56 0.05 -1.68 0.02 -1.24 -4.83 135.00 126.37 1q81 s PRO 32 Ca 0.54 1.05 -0.00 0.00 0.02 0.00 0.00 61.00 62.61 1q81 s PRO 32 Cb -0.05 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1q81 s PRO 32 CO 0.34 -0.60 0.18 1.03 -0.33 0.00 0.00 177.00 177.62 1q81 s ARG 33 N -4.23 3.36 -0.84 5.54 0.52 0.39 -0.98 118.95 122.71 1q81 s ARG 33 Ca 0.61 -0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 55.31 1q81 s ARG 33 Cb -0.13 -3.01 0.21 0.00 0.52 0.00 0.00 34.95 32.55 1q81 s ARG 33 CO 0.37 0.62 0.73 -1.17 0.02 0.00 0.00 175.30 175.88 1q81 s LEU 34 N -2.35 5.81 -0.22 2.53 2.96 0.12 -1.13 118.68 126.39 1q81 s LEU 34 Ca 0.32 -3.28 -0.29 0.00 -0.22 0.00 0.00 54.13 50.67 1q81 s LEU 34 Cb -0.13 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1q81 s LEU 34 CO 0.25 -0.32 1.95 -0.69 -1.32 0.00 0.00 176.35 176.22 1q81 s VAL 35 N -0.71 3.28 -0.35 1.68 1.01 -0.05 -2.28 120.40 122.98 1q81 s VAL 35 Ca 0.23 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 1q81 s VAL 35 Cb -0.12 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1q81 s VAL 35 CO -0.09 -0.19 0.14 0.00 0.00 0.00 0.00 175.10 174.97 1q81 s ALA 36 N 6.85 3.12 0.07 5.51 0.00 -0.73 -0.87 121.76 135.72 1q81 s ALA 36 Ca 0.87 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1q81 s ALA 36 Cb -0.29 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1q81 s ALA 36 CO 0.34 -1.35 -0.17 1.03 0.00 0.00 0.00 175.76 175.61 1q81 s ARG 37 N 1.45 1.02 0.39 0.00 1.81 -0.13 -4.46 118.95 119.04 1q81 s ARG 37 Ca -0.01 -0.99 0.07 0.00 -1.72 0.00 0.00 55.73 53.08 1q81 s ARG 37 Cb -0.19 -1.13 -0.08 0.00 -0.45 0.00 0.00 34.95 33.10 1q81 s ARG 37 CO 0.04 0.27 0.01 0.15 -0.68 0.00 0.00 175.30 175.09 1q81 s LYS 38 N -1.62 1.90 0.10 3.54 1.02 -1.26 -0.01 119.74 123.41 1q81 s LYS 38 Ca 0.03 -2.07 -0.12 0.00 0.02 0.00 0.00 55.97 53.83 1q81 s LYS 38 Cb -0.09 -1.51 0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1q81 s LYS 38 CO 0.03 -0.07 0.28 0.45 -0.92 0.00 0.00 175.35 175.12 1q81 s SER 39 N -3.67 -0.03 0.36 2.83 0.15 -0.40 -4.92 113.70 108.02 1q81 s SER 39 Ca 0.35 -0.48 0.11 0.00 0.70 0.00 0.00 55.95 56.63 1q81 s SER 39 Cb 0.09 0.39 0.88 0.00 -1.71 0.00 0.00 66.02 65.68 1q81 s SER 39 CO 0.17 -0.76 1.83 0.78 1.20 0.00 0.00 173.24 176.46 1q81 h ASN 40 N 2.66 0.62 0.00 5.45 2.35 -2.01 -3.04 115.58 121.61 1q81 h ASN 40 Ca -0.34 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1q81 h ASN 40 Cb 1.22 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1q81 h ASN 40 CO 0.52 0.25 -1.54 0.29 -1.65 0.00 0.00 177.43 175.30 1q81 n LYS 41 N -4.61 0.44 -2.84 0.81 5.02 -1.26 -4.75 118.16 110.97 1q81 n LYS 41 Ca 0.20 -0.11 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1q81 n LYS 41 Cb 0.60 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.29 1q81 n LYS 41 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1q81 n HIS 42 N -1.91 0.14 -3.67 2.13 8.25 -1.15 -2.20 115.22 116.81 1q81 n HIS 42 Ca -0.02 -0.87 -0.09 0.00 -0.26 0.00 0.00 57.72 56.48 1q81 n HIS 42 Cb 0.32 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.30 1q81 n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1q81 s VAL 43 N -1.93 -0.33 0.02 1.59 1.01 -1.25 -1.27 120.40 118.24 1q81 s VAL 43 Ca 0.05 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.20 1q81 s VAL 43 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1q81 s VAL 43 CO 0.04 0.04 -0.17 -0.60 0.00 0.00 0.00 175.10 174.40 1q81 s ARG 44 N 2.00 2.15 -0.25 2.72 3.52 0.98 -0.56 118.95 129.52 1q81 s ARG 44 Ca -0.06 -0.93 -0.02 0.00 -0.13 0.00 0.00 55.73 54.58 1q81 s ARG 44 Cb -0.10 -2.22 0.08 0.00 -1.56 0.00 0.00 34.95 31.16 1q81 s ARG 44 CO -0.14 0.55 0.08 0.00 -0.81 0.00 0.00 175.30 174.98 1q81 s ALA 45 N -0.89 1.08 0.26 6.12 0.00 0.25 -0.95 121.76 127.63 1q81 s ALA 45 Ca 0.14 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1q81 s ALA 45 Cb -0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1q81 s ALA 45 CO 0.04 -1.43 0.29 -0.65 0.00 0.00 0.00 175.76 174.01 1q81 s GLN 46 N 1.84 3.13 -0.42 0.00 -0.21 -0.05 -1.75 119.66 122.20 1q81 s GLN 46 Ca 0.05 -0.95 0.02 0.00 0.02 0.00 0.00 55.36 54.50 1q81 s GLN 46 Cb -0.17 -2.71 0.12 0.00 1.00 0.00 0.00 33.01 31.26 1q81 s GLN 46 CO -0.19 0.37 0.19 -0.51 -2.12 0.00 0.00 175.29 173.02 1q81 s LEU 47 N -3.93 3.42 0.20 2.90 1.43 -0.27 -0.87 118.68 121.56 1q81 s LEU 47 Ca 0.35 -2.50 -0.04 0.00 -1.03 0.00 0.00 54.13 50.90 1q81 s LEU 47 Cb -0.08 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1q81 s LEU 47 CO 0.27 -0.30 0.44 -0.69 0.23 0.00 0.00 176.35 176.30 1q81 s VAL 48 N 0.46 5.12 0.34 -1.59 1.01 -0.29 -1.97 120.40 123.48 1q81 s VAL 48 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1q81 s VAL 48 Cb -0.23 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1q81 s VAL 48 CO -0.05 -0.12 0.08 0.28 0.00 0.00 0.00 175.10 175.29 1q81 s THR 49 N -1.83 0.97 -0.17 3.92 -1.32 0.09 -0.46 115.64 116.83 1q81 s THR 49 Ca 0.42 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.74 1q81 s THR 49 Cb -0.11 -2.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 1q81 s THR 49 CO 0.27 0.00 0.39 -0.22 -2.21 0.00 0.00 174.62 172.85 1q81 s LEU 50 N -3.51 4.20 0.23 9.08 2.96 -1.26 -1.74 118.68 128.64 1q81 s LEU 50 Ca 0.33 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.87 1q81 s LEU 50 Cb 0.07 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1q81 s LEU 50 CO 0.15 -0.01 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.28 1q81 s GLY 51 N 0.80 1.53 0.43 7.98 0.00 -1.19 -4.86 107.32 112.01 1q81 s GLY 51 Ca 0.20 -1.74 0.18 0.00 0.00 0.00 0.00 44.72 43.36 1q81 s GLY 51 CO 0.07 -1.72 1.87 -2.55 0.00 0.00 0.00 173.10 170.77 1q81 h PRO 52 N 2.48 0.37 0.00 2.90 0.11 -1.98 -2.62 132.00 133.26 1q81 h PRO 52 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1q81 h PRO 52 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1q81 h PRO 52 CO 0.65 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.77 1q81 n ASN 53 N -4.49 1.58 0.00 -2.05 3.02 -1.26 -5.09 115.26 106.96 1q81 n ASN 53 Ca 0.19 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1q81 n ASN 53 Cb 0.69 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 1q81 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q81 n GLY 54 N -0.33 3.78 3.16 7.41 0.00 -0.99 -5.13 105.19 113.09 1q81 n GLY 54 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 1q81 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q81 n ASP 55 N 0.00 -3.81 -3.83 1.61 8.00 -1.26 -3.18 116.55 114.08 1q81 n ASP 55 Ca 0.00 0.14 -0.21 0.00 0.71 0.00 0.00 54.79 55.43 1q81 n ASP 55 Cb 0.00 -0.87 -0.17 0.00 -0.02 0.00 0.00 41.12 40.06 1q81 n ASP 55 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1q81 s ASP 56 N -1.41 1.24 -0.28 -2.24 1.01 -0.71 -4.72 116.67 109.56 1q81 s ASP 56 Ca 0.46 -0.11 -0.17 0.00 0.71 0.00 0.00 52.55 53.45 1q81 s ASP 56 Cb -0.12 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.34 1q81 s ASP 56 CO 0.73 -0.12 0.45 -0.89 0.21 0.00 0.00 175.17 175.55 1q81 s THR 57 N 1.44 5.11 -0.09 -1.27 2.01 -1.26 -0.73 115.64 120.85 1q81 s THR 57 Ca -0.03 0.66 0.08 0.00 0.31 0.00 0.00 61.69 62.72 1q81 s THR 57 Cb -0.13 -3.79 -0.24 0.00 0.01 0.00 0.00 72.50 68.35 1q81 s THR 57 CO -0.03 0.07 0.50 0.18 -0.69 0.00 0.00 174.62 174.65 1q81 n LEU 58 N 5.48 1.26 -3.77 4.42 4.32 -0.83 -4.98 117.00 122.89 1q81 n LEU 58 Ca -0.06 0.30 -0.13 0.00 -0.02 0.00 0.00 56.01 56.10 1q81 n LEU 58 Cb 0.50 -0.13 -0.09 0.00 -1.62 0.00 0.00 43.42 42.08 1q81 n LEU 58 CO 0.40 0.53 -0.00 0.00 -1.22 0.00 0.00 177.39 177.09 1q81 s ALA 59 N -2.57 -0.73 0.23 -1.18 0.00 -1.25 -4.95 121.76 111.31 1q81 s ALA 59 Ca -0.10 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 1q81 s ALA 59 Cb 0.07 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1q81 s ALA 59 CO 0.80 -0.24 0.57 -1.54 0.00 0.00 0.00 175.76 175.35 1q81 s SER 60 N -1.19 -0.23 -0.24 0.00 1.04 -1.26 -1.11 113.70 110.70 1q81 s SER 60 Ca -0.12 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.56 1q81 s SER 60 Cb -0.05 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.77 1q81 s SER 60 CO 0.04 -1.16 0.60 0.00 0.98 0.00 0.00 173.24 173.70 1q81 s ALA 61 N -3.92 -1.61 -0.06 5.32 0.00 -0.72 -4.54 121.76 116.24 1q81 s ALA 61 Ca 0.13 2.13 0.03 0.00 0.00 0.00 0.00 51.96 54.25 1q81 s ALA 61 Cb -0.02 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1q81 s ALA 61 CO 0.02 -0.35 -0.15 -1.58 0.00 0.00 0.00 175.76 173.71 1q81 s HIS 62 N 1.58 2.70 0.36 0.00 2.46 -1.26 -0.59 115.29 120.54 1q81 s HIS 62 Ca -0.10 -0.25 0.33 0.00 0.47 0.00 0.00 55.06 55.51 1q81 s HIS 62 Cb -0.06 -1.66 1.80 0.00 -0.13 0.00 0.00 32.58 32.53 1q81 s HIS 62 CO -0.18 0.11 2.00 0.66 -2.47 0.00 0.00 174.74 174.87 1q81 h SER 63 N 5.56 0.00 0.43 9.88 4.64 -1.17 -2.66 113.55 130.23 1q81 h SER 63 Ca -0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1q81 h SER 63 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1q81 h SER 63 CO 0.51 0.00 -0.21 0.77 -0.87 0.00 0.00 176.83 177.03 1q81 h SER 64 N 0.00 -0.49 0.00 4.97 4.64 -1.93 -3.06 113.55 117.68 1q81 h SER 64 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1q81 h SER 64 Cb 0.16 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1q81 h SER 64 CO 0.00 -0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.00 1q81 n ASP 65 N -5.17 0.87 -0.02 4.97 5.75 -1.00 -2.17 116.55 119.77 1q81 n ASP 65 Ca -0.08 -0.86 -0.10 0.00 -0.01 0.00 0.00 54.79 53.73 1q81 n ASP 65 Cb 0.27 -0.21 -0.14 0.00 -1.03 0.00 0.00 41.12 40.00 1q81 n ASP 65 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1q81 n LEU 66 N 0.54 1.12 0.20 -2.12 7.94 -1.16 -3.83 117.00 119.70 1q81 n LEU 66 Ca 0.00 0.37 0.04 0.00 -1.11 0.00 0.00 56.01 55.32 1q81 n LEU 66 Cb 0.16 -0.01 0.42 0.00 0.53 0.00 0.00 43.42 44.51 1q81 n LEU 66 CO 0.00 0.46 0.77 0.00 -1.11 0.00 0.00 177.39 177.51 1q81 h ALA 67 N 0.86 1.38 0.00 1.96 0.00 -1.62 -2.29 119.26 119.54 1q81 h ALA 67 Ca -0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1q81 h ALA 67 Cb 2.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1q81 h ALA 67 CO 0.08 0.40 0.15 -1.91 0.00 0.00 0.00 179.25 177.97 1q81 n GLU 68 N -4.02 0.01 -0.00 0.00 2.13 -1.25 0.35 120.64 117.86 1q81 n GLU 68 Ca -0.02 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1q81 n GLU 68 Cb 0.38 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1q81 n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1q81 n TYR 69 N -1.46 0.01 0.00 4.31 4.02 -0.86 -4.98 117.16 118.20 1q81 n TYR 69 Ca -0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 1q81 n TYR 69 Cb 0.16 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 1q81 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q81 n GLY 70 N -0.31 1.52 3.67 2.72 0.00 0.16 -4.99 105.19 107.96 1q81 n GLY 70 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1q81 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1q81 s TRP 71 N -2.00 3.41 -0.02 1.61 -0.00 -1.18 -4.89 118.94 115.86 1q81 s TRP 71 Ca 0.00 1.45 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 1q81 s TRP 71 Cb 0.00 -3.18 0.00 0.00 -0.00 0.00 0.00 33.47 30.29 1q81 s TRP 71 CO 0.00 -0.35 0.76 -1.91 -0.00 0.00 0.00 176.95 175.45 1q81 n GLU 72 N 5.68 1.06 -3.70 5.86 2.13 -1.26 -4.30 120.64 126.11 1q81 n GLU 72 Ca 0.09 -1.02 -0.23 0.00 0.66 0.00 0.00 57.16 56.65 1q81 n GLU 72 Cb 0.47 -1.01 -0.01 0.00 0.27 0.00 0.00 31.44 31.17 1q81 n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q81 s ALA 73 N -0.52 4.25 1.09 4.31 0.00 -1.26 -4.49 121.76 125.14 1q81 s ALA 73 Ca 0.00 -1.65 -0.18 0.00 0.00 0.00 0.00 51.96 50.13 1q81 s ALA 73 Cb 0.00 -0.88 0.11 0.00 0.00 0.00 0.00 23.12 22.35 1q81 s ALA 73 CO 0.00 -0.38 -0.01 -2.30 0.00 0.00 0.00 175.76 173.08 1q81 n PRO 74 N -1.69 -1.79 0.00 0.00 -0.02 -1.26 -4.97 135.00 125.26 1q81 n PRO 74 Ca 0.02 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 1q81 n PRO 74 Cb 0.63 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1q81 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1q81 n THR 75 N -4.41 0.30 -1.61 3.45 -2.24 -1.26 -4.77 114.28 103.76 1q81 n THR 75 Ca 0.02 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1q81 n THR 75 Cb 0.56 1.01 0.06 0.00 -2.10 0.00 0.00 70.33 69.85 1q81 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q81 n GLY 76 N -0.15 6.03 3.34 3.38 0.00 -0.94 -3.92 105.19 112.93 1q81 n GLY 76 Ca 0.00 -2.39 -0.17 0.00 0.00 0.00 0.00 46.02 43.45 1q81 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q81 s ASN 77 N -2.54 1.40 0.13 1.61 2.20 -1.26 -4.96 114.94 111.51 1q81 s ASN 77 Ca 0.59 -1.39 -0.25 0.00 -0.94 0.00 0.00 52.86 50.87 1q81 s ASN 77 Cb 0.47 0.12 -0.06 0.00 -2.00 0.00 0.00 41.25 39.78 1q81 s ASN 77 CO 0.01 -0.71 1.43 0.24 -2.94 0.00 0.00 177.10 175.13 1q81 h MET 78 N 2.33 -0.01 -0.77 3.55 2.86 -1.91 -0.42 114.93 120.57 1q81 h MET 78 Ca -0.39 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.31 1q81 h MET 78 Cb 1.25 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.85 1q81 h MET 78 CO 0.62 -0.01 0.46 -1.35 1.06 0.00 0.00 176.91 177.69 1q81 h PRO 79 N -0.02 0.83 -0.07 -0.22 0.11 -1.77 -2.23 132.00 128.63 1q81 h PRO 79 Ca 0.12 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.22 1q81 h PRO 79 Cb 0.33 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.20 1q81 h PRO 79 CO -0.74 0.55 -0.34 1.03 -0.21 0.00 0.00 178.00 178.29 1q81 h SER 80 N 0.85 -1.04 -0.18 -2.05 0.87 -1.47 -2.26 113.55 108.26 1q81 h SER 80 Ca 0.33 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 61.06 1q81 h SER 80 Cb 0.15 0.43 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1q81 h SER 80 CO -0.16 -0.38 0.03 0.00 -0.53 0.00 0.00 176.83 175.78 1q81 h ALA 81 N 0.29 0.18 0.05 6.23 0.00 -0.77 -2.44 119.26 122.81 1q81 h ALA 81 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1q81 h ALA 81 Cb 0.57 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1q81 h ALA 81 CO -0.32 -0.40 -0.40 -0.92 0.00 0.00 0.00 179.25 177.20 1q81 h TYR 82 N 0.10 -1.16 -0.72 0.00 3.20 -1.14 0.13 116.97 117.38 1q81 h TYR 82 Ca 0.08 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.11 1q81 h TYR 82 Cb 0.08 0.50 -0.09 0.00 1.54 0.00 0.00 36.73 38.76 1q81 h TYR 82 CO -0.14 -0.44 0.30 -0.07 -1.64 0.00 0.00 178.16 176.17 1q81 h LEU 83 N -0.54 0.31 -1.28 2.82 3.38 -1.41 0.40 115.31 119.00 1q81 h LEU 83 Ca 0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1q81 h LEU 83 Cb 0.56 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1q81 h LEU 83 CO -0.24 0.15 0.49 0.74 0.09 0.00 0.00 178.44 179.67 1q81 h THR 84 N 0.48 1.18 0.01 0.22 2.02 -1.09 1.51 112.91 117.24 1q81 h THR 84 Ca 0.38 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1q81 h THR 84 Cb 0.53 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1q81 h THR 84 CO -0.36 0.18 -0.00 1.23 0.37 0.00 0.00 175.52 176.94 1q81 h GLY 85 N 0.99 -0.01 0.97 2.16 0.00 0.17 0.17 103.07 107.52 1q81 h GLY 85 Ca 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 1q81 h GLY 85 CO -0.06 -0.01 0.19 -2.00 0.00 0.00 0.00 176.54 174.66 1q81 h LEU 86 N -0.14 0.72 -0.64 3.11 5.85 0.47 0.30 115.31 124.98 1q81 h LEU 86 Ca -0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1q81 h LEU 86 Cb 0.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1q81 h LEU 86 CO 0.00 0.71 0.39 0.25 -0.34 0.00 0.00 178.44 179.46 1q81 h LEU 87 N 0.70 0.77 -0.42 2.25 5.85 0.23 0.35 115.31 125.04 1q81 h LEU 87 Ca 0.17 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 1q81 h LEU 87 Cb 0.22 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1q81 h LEU 87 CO -0.01 0.60 -0.31 0.00 -0.34 0.00 0.00 178.44 178.38 1q81 h ALA 88 N 1.20 0.60 -0.39 1.25 0.00 -0.48 -2.90 119.26 118.54 1q81 h ALA 88 Ca 0.23 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1q81 h ALA 88 Cb -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 1q81 h ALA 88 CO -0.04 0.65 -0.22 0.78 0.00 0.00 0.00 179.25 180.42 1q81 h GLY 89 N 0.78 0.04 0.96 0.00 0.00 0.64 0.45 103.07 105.93 1q81 h GLY 89 Ca 0.08 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 1q81 h GLY 89 CO 0.08 -0.20 0.13 1.41 0.00 0.00 0.00 176.54 177.97 1q81 h LEU 90 N -0.15 0.29 -2.13 3.11 3.38 -0.89 -0.13 115.31 118.80 1q81 h LEU 90 Ca 0.19 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1q81 h LEU 90 Cb 0.45 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1q81 h LEU 90 CO -0.48 0.28 -0.02 0.03 0.09 0.00 0.00 178.44 178.34 1q81 h ARG 91 N 0.28 0.00 0.34 1.13 3.08 -1.27 0.08 114.38 118.01 1q81 h ARG 91 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1q81 h ARG 91 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1q81 h ARG 91 CO -0.01 0.02 -0.16 0.00 -1.07 0.00 0.00 179.97 178.75 1q81 h ALA 92 N 1.98 -0.45 -0.21 0.04 0.00 0.30 -1.70 119.26 119.21 1q81 h ALA 92 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1q81 h ALA 92 Cb 0.05 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1q81 h ALA 92 CO 0.00 -0.61 -0.40 1.96 0.00 0.00 0.00 179.25 180.21 1q81 h GLN 93 N -0.74 -0.41 -0.91 0.00 1.08 -0.04 0.11 115.11 114.20 1q81 h GLN 93 Ca -0.05 0.03 0.25 0.00 -1.45 0.00 0.00 58.65 57.43 1q81 h GLN 93 Cb 0.50 0.09 -0.14 0.00 -0.05 0.00 0.00 27.48 27.89 1q81 h GLN 93 CO 0.08 -0.27 0.35 0.93 -0.95 0.00 0.00 178.83 178.97 1q81 h GLU 94 N -0.42 0.29 0.00 1.46 4.39 -0.98 0.49 114.58 119.79 1q81 h GLU 94 Ca 0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1q81 h GLU 94 Cb 0.60 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1q81 h GLU 94 CO -0.44 0.19 0.00 0.00 -1.16 0.00 0.00 179.01 177.60 1q81 h ALA 95 N 1.77 1.00 0.00 3.43 0.00 0.19 -3.45 119.26 122.20 1q81 h ALA 95 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1q81 h ALA 95 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1q81 h ALA 95 CO -0.61 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1q81 n GLY 96 N -0.93 0.95 3.74 0.00 0.00 0.17 -5.07 105.19 104.05 1q81 n GLY 96 Ca -0.02 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1q81 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q81 s VAL 97 N -2.00 4.97 -0.02 1.61 1.01 -0.96 -4.97 120.40 120.04 1q81 s VAL 97 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.30 1q81 s VAL 97 Cb 0.00 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1q81 s VAL 97 CO 0.00 0.35 0.01 -0.62 0.00 0.00 0.00 175.10 174.84 1q81 n GLU 98 N 3.19 3.19 -3.98 2.72 1.02 -1.26 -4.01 120.64 121.50 1q81 n GLU 98 Ca -0.05 -0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.01 1q81 n GLU 98 Cb 0.51 -1.05 -0.09 0.00 -0.02 0.00 0.00 31.44 30.78 1q81 n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1q81 s GLU 99 N -2.07 0.65 0.21 3.49 -1.05 -1.26 -1.06 118.70 117.62 1q81 s GLU 99 Ca -0.01 -1.00 -0.23 0.00 -0.15 0.00 0.00 54.97 53.58 1q81 s GLU 99 Cb 0.01 0.24 0.05 0.00 -0.44 0.00 0.00 34.13 33.99 1q81 s GLU 99 CO 0.09 -0.16 0.89 0.00 0.95 0.00 0.00 175.26 177.03 1q81 s ALA 100 N -3.43 -1.44 0.05 -0.84 0.00 -1.07 -3.70 121.76 111.32 1q81 s ALA 100 Ca 0.02 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 51.94 1q81 s ALA 100 Cb 0.04 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1q81 s ALA 100 CO -0.08 -1.04 -0.25 0.08 0.00 0.00 0.00 175.76 174.47 1q81 s VAL 101 N -3.27 2.02 -0.42 0.00 1.01 -0.15 -4.08 120.40 115.51 1q81 s VAL 101 Ca 0.13 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1q81 s VAL 101 Cb -0.03 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1q81 s VAL 101 CO 0.05 0.31 1.14 -0.22 0.00 0.00 0.00 175.10 176.38 1q81 s LEU 102 N -1.25 3.72 -0.22 3.92 2.96 -1.26 0.16 118.68 126.70 1q81 s LEU 102 Ca 0.11 0.67 -0.12 0.00 -0.22 0.00 0.00 54.13 54.57 1q81 s LEU 102 Cb -0.10 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1q81 s LEU 102 CO 0.02 -1.16 0.22 -0.62 -1.32 0.00 0.00 176.35 173.49 1q81 s ASP 103 N 2.33 6.21 -0.23 3.68 -1.08 -0.96 -4.91 116.67 121.70 1q81 s ASP 103 Ca 0.48 0.23 0.13 0.00 -0.52 0.00 0.00 52.55 52.87 1q81 s ASP 103 Cb -0.09 -2.14 0.49 0.00 -1.46 0.00 0.00 42.92 39.72 1q81 s ASP 103 CO 0.27 0.04 1.40 2.30 0.52 0.00 0.00 175.17 179.71 1q81 n ILE 104 N 4.21 2.37 -1.56 4.11 -5.35 -1.26 -1.77 119.36 120.12 1q81 n ILE 104 Ca -0.13 -2.43 0.00 0.00 -0.27 0.00 0.00 62.75 59.92 1q81 n ILE 104 Cb 0.52 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 1q81 n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q81 n GLY 105 N -0.96 1.00 0.48 3.28 0.00 -1.26 -1.26 105.19 106.47 1q81 n GLY 105 Ca 0.27 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1q81 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q81 n LEU 106 N 0.00 0.81 -4.88 0.99 4.77 -1.26 -4.86 117.00 112.57 1q81 n LEU 106 Ca 0.00 -0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 55.28 1q81 n LEU 106 Cb 0.00 -0.41 0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1q81 n LEU 106 CO 0.00 0.20 0.72 0.20 -1.33 0.00 0.00 177.39 177.18 1q81 s ASN 107 N -0.19 5.63 -0.10 -1.43 0.02 -0.39 -5.07 114.94 113.41 1q81 s ASN 107 Ca 0.00 1.14 -0.10 0.00 -1.02 0.00 0.00 52.86 52.88 1q81 s ASN 107 Cb 0.00 -2.02 -0.05 0.00 0.02 0.00 0.00 41.25 39.21 1q81 s ASN 107 CO 0.00 -1.21 0.24 -0.44 0.02 0.00 0.00 177.10 175.71 1q81 s SER 108 N -4.32 6.51 0.00 -1.22 0.01 -1.26 -4.98 113.70 108.44 1q81 s SER 108 Ca 0.57 0.60 -0.03 0.00 1.31 0.00 0.00 55.95 58.40 1q81 s SER 108 Cb -0.11 -2.14 -0.14 0.00 0.21 0.00 0.00 66.02 63.84 1q81 s SER 108 CO 0.51 0.33 2.44 -2.65 0.41 0.00 0.00 173.24 174.28 1q81 n PRO 109 N 2.27 1.28 -2.38 12.44 -0.02 -1.26 -4.90 135.00 142.42 1q81 n PRO 109 Ca -0.17 -0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 60.39 1q81 n PRO 109 Cb 0.54 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 1q81 n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q81 s THR 110 N 1.12 3.57 0.32 3.45 2.01 -1.26 -4.98 115.64 119.87 1q81 s THR 110 Ca 0.34 1.34 -0.29 0.00 0.31 0.00 0.00 61.69 63.38 1q81 s THR 110 Cb 0.16 -3.85 -0.11 0.00 0.01 0.00 0.00 72.50 68.71 1q81 s THR 110 CO 0.00 0.22 1.56 -2.84 -0.69 0.00 0.00 174.62 172.87 1q81 s PRO 111 N -0.34 4.11 -0.31 4.92 0.02 -1.26 -2.31 135.00 139.84 1q81 s PRO 111 Ca 0.52 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.12 1q81 s PRO 111 Cb -0.33 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1q81 s PRO 111 CO 0.37 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 1q81 n GLY 112 N 1.53 0.54 3.71 0.52 0.00 -0.16 -4.91 105.19 106.43 1q81 n GLY 112 Ca 0.05 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1q81 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q81 s SER 113 N -2.30 2.55 0.41 1.61 0.01 -0.98 -4.61 113.70 110.40 1q81 s SER 113 Ca 0.00 0.92 0.22 0.00 1.31 0.00 0.00 55.95 58.40 1q81 s SER 113 Cb 0.00 -1.43 0.76 0.00 0.21 0.00 0.00 66.02 65.57 1q81 s SER 113 CO 0.00 -3.14 1.76 0.11 0.41 0.00 0.00 173.24 172.38 1q81 h LYS 114 N -1.91 0.00 -0.09 12.44 1.57 -1.95 -2.53 116.57 124.10 1q81 h LYS 114 Ca -0.51 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.13 1q81 h LYS 114 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1q81 h LYS 114 CO 0.53 0.29 -0.57 -0.39 -0.57 0.00 0.00 179.45 178.73 1q81 h VAL 115 N 0.00 1.37 0.00 0.50 -1.51 -1.93 0.98 116.25 115.65 1q81 h VAL 115 Ca -0.00 -1.90 -0.13 0.00 -1.23 0.00 0.00 66.70 63.44 1q81 h VAL 115 Cb 0.85 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.92 1q81 h VAL 115 CO 0.04 0.57 -0.63 -0.26 -1.23 0.00 0.00 177.57 176.05 1q81 h PHE 116 N 0.22 0.00 0.31 5.19 0.05 -1.88 -1.55 116.94 119.29 1q81 h PHE 116 Ca -0.00 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 1q81 h PHE 116 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.03 1q81 h PHE 116 CO 0.02 0.63 -0.15 0.00 -0.18 0.00 0.00 178.31 178.64 1q81 h ALA 117 N 1.37 -0.42 -0.98 2.45 0.00 -0.97 0.60 119.26 121.31 1q81 h ALA 117 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1q81 h ALA 117 Cb 1.26 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 1q81 h ALA 117 CO 0.08 -0.69 0.62 0.82 0.00 0.00 0.00 179.25 180.08 1q81 h ILE 118 N -0.51 0.91 -0.03 0.00 2.04 -0.61 -0.03 117.51 119.28 1q81 h ILE 118 Ca -0.04 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1q81 h ILE 118 Cb 0.38 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1q81 h ILE 118 CO 0.07 0.17 0.00 -0.61 0.00 0.00 0.00 178.15 177.78 1q81 h GLN 119 N 0.94 0.06 -0.82 2.37 4.15 -0.67 -1.42 115.11 119.72 1q81 h GLN 119 Ca 0.49 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 60.01 1q81 h GLN 119 Cb 0.53 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 1q81 h GLN 119 CO -0.25 0.35 0.53 1.49 -1.93 0.00 0.00 178.83 179.02 1q81 h GLU 120 N -0.24 0.65 0.02 1.69 4.81 0.17 0.58 114.58 122.26 1q81 h GLU 120 Ca 0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1q81 h GLU 120 Cb 0.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1q81 h GLU 120 CO 0.00 0.43 -0.01 0.78 -0.73 0.00 0.00 179.01 179.49 1q81 h GLY 121 N 0.67 -0.03 1.90 1.92 0.00 -0.92 -2.52 103.07 104.09 1q81 h GLY 121 Ca 0.39 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.75 1q81 h GLY 121 CO -0.16 -0.01 0.04 0.00 0.00 0.00 0.00 176.54 176.41 1q81 h ALA 122 N 0.37 1.89 0.24 3.60 0.00 -0.70 -1.16 119.26 123.50 1q81 h ALA 122 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1q81 h ALA 122 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1q81 h ALA 122 CO 0.00 -0.06 -0.12 0.82 0.00 0.00 0.00 179.25 179.90 1q81 h ILE 123 N 0.00 0.77 -0.49 0.00 2.04 -0.84 -2.87 117.51 116.11 1q81 h ILE 123 Ca 0.02 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.15 1q81 h ILE 123 Cb 0.10 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1q81 h ILE 123 CO -0.00 0.16 0.33 0.44 0.00 0.00 0.00 178.15 179.08 1q81 h ASP 124 N -0.79 0.29 0.00 1.72 3.32 -0.96 0.02 116.42 120.03 1q81 h ASP 124 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1q81 h ASP 124 Cb 0.51 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1q81 h ASP 124 CO 0.05 0.19 0.01 0.00 -1.72 0.00 0.00 179.24 177.77 1q81 n ALA 125 N -2.53 1.02 0.00 3.45 0.00 -0.49 -4.77 120.51 117.19 1q81 n ALA 125 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1q81 n ALA 125 Cb 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1q81 n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 126 N -1.30 1.41 3.76 0.00 0.00 -0.02 -4.58 105.19 104.46 1q81 n GLY 126 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1q81 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q81 s LEU 127 N 0.00 4.58 -0.55 0.99 1.02 -1.09 -4.98 118.68 118.65 1q81 s LEU 127 Ca 0.00 2.07 -0.19 0.00 0.02 0.00 0.00 54.13 56.03 1q81 s LEU 127 Cb 0.00 -3.66 0.08 0.00 0.02 0.00 0.00 46.19 42.63 1q81 s LEU 127 CO 0.00 0.01 0.67 -0.62 0.02 0.00 0.00 176.35 176.43 1q81 s ASP 128 N -1.10 6.21 -0.12 2.29 -1.08 -0.22 -4.34 116.67 118.30 1q81 s ASP 128 Ca 0.43 -1.10 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 1q81 s ASP 128 Cb -0.28 -2.30 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1q81 s ASP 128 CO 0.35 -1.00 -0.10 -0.63 0.52 0.00 0.00 175.17 174.30 1q81 s ILE 129 N 2.73 1.23 0.10 4.11 1.01 -1.26 -2.59 121.20 126.53 1q81 s ILE 129 Ca 0.14 -0.43 -0.36 0.00 0.00 0.00 0.00 60.65 60.00 1q81 s ILE 129 Cb -0.21 -1.20 -0.17 0.00 0.01 0.00 0.00 42.46 40.90 1q81 s ILE 129 CO 0.10 0.40 1.32 -2.65 0.00 0.00 0.00 174.94 174.11 1q81 n PRO 130 N 4.79 1.17 -1.25 2.79 -0.02 -1.26 -4.89 135.00 136.33 1q81 n PRO 130 Ca -0.15 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1q81 n PRO 130 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1q81 n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1q81 n HIS 131 N 2.39 -0.70 -3.26 6.00 1.44 -1.26 -4.76 115.22 115.09 1q81 n HIS 131 Ca 0.18 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.84 1q81 n HIS 131 Cb 0.20 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.27 1q81 n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1q81 s ASN 132 N -0.92 -0.29 0.25 4.39 3.84 -1.26 -5.07 114.94 115.87 1q81 s ASN 132 Ca 0.00 -0.33 -0.07 0.00 0.21 0.00 0.00 52.86 52.66 1q81 s ASN 132 Cb 0.00 1.40 0.41 0.00 -0.55 0.00 0.00 41.25 42.51 1q81 s ASN 132 CO 0.00 -0.32 1.38 0.47 -2.79 0.00 0.00 177.10 175.84 1q81 n ASP 133 N 5.22 -0.32 -0.72 -4.21 8.00 -1.26 -1.60 116.55 121.66 1q81 n ASP 133 Ca 0.03 1.52 0.00 0.00 0.71 0.00 0.00 54.79 57.06 1q81 n ASP 133 Cb 0.51 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1q81 n ASP 133 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1q81 n ASP 134 N -5.44 1.51 0.00 -2.24 5.68 -1.26 -1.21 116.55 113.58 1q81 n ASP 134 Ca 0.14 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1q81 n ASP 134 Cb 0.44 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1q81 n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1q81 n VAL 135 N 0.32 0.22 -3.42 2.12 3.14 -0.63 -4.95 118.33 115.13 1q81 n VAL 135 Ca 0.00 -0.53 -0.21 0.00 -2.96 0.00 0.00 64.34 60.64 1q81 n VAL 135 Cb 0.29 1.01 -0.00 0.00 -1.06 0.00 0.00 33.84 34.08 1q81 n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1q81 s LEU 136 N -0.22 3.96 0.65 6.55 1.43 -0.35 -0.99 118.68 129.72 1q81 s LEU 136 Ca 0.00 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 1q81 s LEU 136 Cb 0.00 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 1q81 s LEU 136 CO 0.00 -0.40 1.05 0.00 0.23 0.00 0.00 176.35 177.23 1q81 s ALA 137 N -2.27 2.75 0.00 4.21 0.00 -1.26 -4.20 121.76 121.00 1q81 s ALA 137 Ca 0.43 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1q81 s ALA 137 Cb -0.10 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1q81 s ALA 137 CO 0.33 -1.01 1.24 -0.40 0.00 0.00 0.00 175.76 175.92 1q81 n ASP 138 N -2.72 3.38 0.00 0.00 5.75 -1.26 -4.86 116.55 116.84 1q81 n ASP 138 Ca 0.08 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1q81 n ASP 138 Cb 0.53 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1q81 n ASP 138 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1q81 n TRP 139 N 1.40 0.00 -0.23 2.11 -0.00 -1.26 -4.36 117.44 115.10 1q81 n TRP 139 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.53 1q81 n TRP 139 Cb 0.35 0.00 0.16 0.00 -0.00 0.00 0.00 31.31 31.82 1q81 n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1q81 h GLN 140 N 0.00 0.36 0.00 5.87 1.08 -1.99 0.63 115.11 121.06 1q81 h GLN 140 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1q81 h GLN 140 Cb 0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1q81 h GLN 140 CO 0.00 0.24 0.00 -0.09 -0.95 0.00 0.00 178.83 178.03 1q81 h ARG 141 N 0.37 0.00 0.00 1.46 2.43 -1.93 -0.66 114.38 116.05 1q81 h ARG 141 Ca 0.37 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.37 1q81 h ARG 141 Cb 0.56 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1q81 h ARG 141 CO -0.40 0.00 -0.93 1.15 -1.51 0.00 0.00 179.97 178.27 1q81 h THR 142 N 0.00 1.17 0.00 0.20 2.02 -0.17 -3.21 112.91 112.92 1q81 h THR 142 Ca 0.00 -2.74 -0.18 0.00 0.77 0.00 0.00 66.41 64.26 1q81 h THR 142 Cb 0.41 2.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 1q81 h THR 142 CO 0.00 0.67 -0.91 0.03 0.37 0.00 0.00 175.52 175.68 1q81 h ARG 143 N 0.00 0.00 0.00 6.66 3.08 -0.28 -3.07 114.38 120.76 1q81 h ARG 143 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1q81 h ARG 143 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1q81 h ARG 143 CO 0.09 0.82 0.00 0.41 -1.07 0.00 0.00 179.97 180.22 1q81 n GLY 144 N 1.33 1.65 0.30 0.04 0.00 -0.78 -4.41 105.19 103.31 1q81 n GLY 144 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1q81 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 h ALA 145 N 0.00 0.86 -0.86 4.61 0.00 -1.38 -2.63 119.26 119.86 1q81 h ALA 145 Ca 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 54.91 54.73 1q81 h ALA 145 Cb 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1q81 h ALA 145 CO 0.00 0.66 0.56 1.12 0.00 0.00 0.00 179.25 181.59 1q81 h HIS 146 N 0.94 0.79 0.01 0.00 2.07 -1.86 -1.04 115.15 116.06 1q81 h HIS 146 Ca 0.16 0.02 -0.19 0.00 -2.85 0.00 0.00 60.37 57.51 1q81 h HIS 146 Cb 0.57 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 30.28 1q81 h HIS 146 CO 0.04 0.31 -0.87 0.97 -3.07 0.00 0.00 177.93 175.31 1q81 h ILE 147 N 0.69 1.52 0.15 6.12 2.10 -1.88 -1.99 117.51 124.22 1q81 h ILE 147 Ca 0.42 -2.69 -0.01 0.00 1.08 0.00 0.00 64.86 63.66 1q81 h ILE 147 Cb 0.66 2.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 1q81 h ILE 147 CO -0.18 0.78 -0.07 0.00 -1.08 0.00 0.00 178.15 177.59 1q81 h ALA 148 N 1.02 -0.20 -0.37 0.18 0.00 -0.87 -2.23 119.26 116.79 1q81 h ALA 148 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1q81 h ALA 148 Cb 1.50 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1q81 h ALA 148 CO 0.13 -0.48 0.22 0.93 0.00 0.00 0.00 179.25 180.05 1q81 h GLU 149 N -0.47 0.49 0.00 0.00 5.08 -1.35 -0.72 114.58 117.60 1q81 h GLU 149 Ca -0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1q81 h GLU 149 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1q81 h GLU 149 CO 0.03 0.34 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.26 1q81 h TYR 150 N 0.50 0.00 -0.01 4.33 3.20 -1.13 0.03 116.97 123.90 1q81 h TYR 150 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1q81 h TYR 150 Cb -0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1q81 h TYR 150 CO 0.00 0.20 -0.17 -3.47 -1.64 0.00 0.00 178.16 173.08 1q81 n ASP 151 N -3.68 0.83 0.10 -2.11 -0.08 -0.32 -3.38 116.55 107.91 1q81 n ASP 151 Ca -0.01 -0.82 -0.05 0.00 -1.51 0.00 0.00 54.79 52.39 1q81 n ASP 151 Cb 0.32 0.04 0.05 0.00 2.34 0.00 0.00 41.12 43.87 1q81 n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1q81 h GLU 152 N 1.04 0.08 -1.69 -0.67 4.57 -0.52 -2.34 114.58 115.05 1q81 h GLU 152 Ca 0.00 -0.08 -0.28 0.00 -1.18 0.00 0.00 59.36 57.82 1q81 h GLU 152 Cb 0.44 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.93 1q81 h GLU 152 CO 0.00 0.82 0.30 1.04 -1.18 0.00 0.00 179.01 179.99 1q81 n GLN 153 N -3.67 1.74 0.00 1.92 6.02 -1.21 -4.81 117.38 117.37 1q81 n GLN 153 Ca -0.02 -1.34 0.00 0.00 -0.01 0.00 0.00 57.00 55.63 1q81 n GLN 153 Cb 0.74 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.42 1q81 n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1q81 n LEU 154 N 0.73 0.00 0.00 1.08 7.94 -0.88 -4.80 117.00 121.06 1q81 n LEU 154 Ca 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1q81 n LEU 154 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1q81 n LEU 154 CO 0.29 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.78 1q81 n GLU 155 N 0.00 0.00 -3.65 1.96 2.13 -1.26 -4.90 120.64 114.92 1q81 n GLU 155 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1q81 n GLU 155 Cb 0.00 -0.30 -0.07 0.00 0.27 0.00 0.00 31.44 31.34 1q81 n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1q81 s GLU 156 N -0.47 0.63 0.16 5.31 2.02 -1.26 -5.15 118.70 119.93 1q81 s GLU 156 Ca 0.00 1.18 -0.34 0.00 0.02 0.00 0.00 54.97 55.83 1q81 s GLU 156 Cb 0.00 0.21 -0.15 0.00 0.10 0.00 0.00 34.13 34.29 1q81 s GLU 156 CO 0.00 -0.16 1.38 -2.30 0.02 0.00 0.00 175.26 174.20 1q81 n PRO 157 N 4.49 1.61 0.10 0.39 -0.02 -1.26 -4.89 135.00 135.43 1q81 n PRO 157 Ca -0.19 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1q81 n PRO 157 Cb 0.57 -2.22 0.30 0.00 -0.02 0.00 0.00 33.50 32.13 1q81 n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1q81 h LEU 158 N 4.57 0.24 -8.53 2.45 5.85 -1.92 -3.40 115.31 114.56 1q81 h LEU 158 Ca -0.45 -0.07 -0.70 0.00 0.84 0.00 0.00 57.88 57.49 1q81 h LEU 158 Cb 1.30 -0.06 -0.21 0.00 0.37 0.00 0.00 40.66 42.05 1q81 h LEU 158 CO 0.78 0.52 -0.48 -0.31 -0.34 0.00 0.00 178.44 178.61 1q81 s TYR 159 N -4.42 3.23 -0.81 1.25 1.51 -1.26 -5.01 117.35 111.84 1q81 s TYR 159 Ca -0.05 -0.58 -0.26 0.00 -1.01 0.00 0.00 57.07 55.17 1q81 s TYR 159 Cb 0.14 -2.50 -0.15 0.00 -0.11 0.00 0.00 41.96 39.35 1q81 s TYR 159 CO 0.75 -0.53 2.40 0.45 -1.11 0.00 0.00 175.55 177.51 1q81 n SER 160 N 5.08 1.78 0.00 2.29 2.88 -1.26 -4.08 113.62 120.31 1q81 n SER 160 Ca -0.12 -1.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 1q81 n SER 160 Cb 0.48 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1q81 n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1q81 n GLY 161 N 6.77 2.17 3.73 0.46 0.00 -1.26 -4.92 105.19 112.13 1q81 n GLY 161 Ca 0.47 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1q81 n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q81 n ASP 162 N 4.41 0.00 -4.45 1.61 9.92 -1.26 -4.52 116.55 122.26 1q81 n ASP 162 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1q81 n ASP 162 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1q81 n ASP 162 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1q81 s PHE 163 N 0.00 2.33 0.10 1.24 -0.00 -1.26 -5.07 117.98 115.32 1q81 s PHE 163 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 56.93 56.59 1q81 s PHE 163 Cb 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 43.02 41.90 1q81 s PHE 163 CO 0.00 0.55 0.00 -0.40 -0.00 0.00 0.00 175.22 175.37 1q81 n ASP 164 N 0.05 -1.90 -0.01 1.98 5.68 -1.26 -4.76 116.55 116.32 1q81 n ASP 164 Ca -0.11 0.20 -0.02 0.00 -0.50 0.00 0.00 54.79 54.37 1q81 n ASP 164 Cb 0.57 -2.00 -0.02 0.00 -1.14 0.00 0.00 41.12 38.53 1q81 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q81 n ALA 165 N -1.96 1.94 -0.30 2.12 0.00 -1.26 -4.64 120.51 116.41 1q81 n ALA 165 Ca -0.01 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1q81 n ALA 165 Cb 0.54 0.35 0.31 0.00 0.00 0.00 0.00 19.45 20.65 1q81 n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q81 n ALA 166 N -2.42 2.38 -1.41 0.00 0.00 -1.26 -4.41 120.51 113.40 1q81 n ALA 166 Ca -0.05 -1.27 0.17 0.00 0.00 0.00 0.00 53.44 52.29 1q81 n ALA 166 Cb 0.56 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 1q81 n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q81 n ASP 167 N 1.64 -7.97 -3.57 0.00 8.00 -1.26 -4.73 116.55 108.66 1q81 n ASP 167 Ca 0.24 1.10 -0.29 0.00 0.71 0.00 0.00 54.79 56.55 1q81 n ASP 167 Cb 0.62 -4.63 -0.14 0.00 -0.02 0.00 0.00 41.12 36.95 1q81 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1q81 s LEU 168 N -7.03 1.19 0.00 0.64 1.43 -1.26 -4.92 118.68 108.73 1q81 s LEU 168 Ca 0.00 -1.71 0.17 0.00 -1.03 0.00 0.00 54.13 51.56 1q81 s LEU 168 Cb 0.00 -0.53 0.79 0.00 0.03 0.00 0.00 46.19 46.48 1q81 s LEU 168 CO 0.00 -0.39 1.52 -2.65 0.23 0.00 0.00 176.35 175.07 1q81 n PRO 169 N 4.70 0.12 0.06 1.29 -0.02 -1.26 -1.57 135.00 138.32 1q81 n PRO 169 Ca 0.01 0.17 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 1q81 n PRO 169 Cb 0.40 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 1q81 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1q81 h GLU 170 N 0.00 0.13 0.00 -0.52 3.07 -1.91 -3.05 114.58 112.30 1q81 h GLU 170 Ca 0.00 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.62 1q81 h GLU 170 Cb 0.23 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1q81 h GLU 170 CO 0.00 1.04 -0.08 1.25 -1.40 0.00 0.00 179.01 179.81 1q81 h HIS 171 N 0.04 0.00 0.28 4.33 2.76 -1.67 -0.32 115.15 120.57 1q81 h HIS 171 Ca -0.13 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 1q81 h HIS 171 Cb 1.91 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.87 1q81 h HIS 171 CO 0.03 0.08 -0.13 0.35 -1.30 0.00 0.00 177.93 176.96 1q81 h PHE 172 N 0.00 -0.35 -0.41 5.26 3.57 -1.55 -2.23 116.94 121.23 1q81 h PHE 172 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1q81 h PHE 172 Cb 0.16 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1q81 h PHE 172 CO 0.00 -0.09 0.12 -0.44 -2.23 0.00 0.00 178.31 175.67 1q81 h ASP 173 N -0.57 0.10 -0.48 0.41 3.32 -1.16 -1.08 116.42 116.94 1q81 h ASP 173 Ca -0.04 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.16 1q81 h ASP 173 Cb 0.42 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 1q81 h ASP 173 CO 0.06 0.09 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.29 1q81 h GLU 174 N 0.27 0.06 -0.11 3.56 5.08 -1.03 0.18 114.58 122.59 1q81 h GLU 174 Ca 0.20 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1q81 h GLU 174 Cb 0.21 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1q81 h GLU 174 CO -0.22 0.04 -0.01 1.25 -1.00 0.00 0.00 179.01 179.06 1q81 h LEU 175 N 0.06 0.20 -0.60 1.33 5.85 -0.72 -1.91 115.31 119.53 1q81 h LEU 175 Ca 0.24 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1q81 h LEU 175 Cb 0.37 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1q81 h LEU 175 CO -0.45 0.50 0.28 -0.09 -0.34 0.00 0.00 178.44 178.34 1q81 h ARG 176 N -0.10 0.50 -0.67 1.25 2.43 -0.96 -0.14 114.38 116.70 1q81 h ARG 176 Ca 0.03 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 1q81 h ARG 176 Cb 0.40 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.75 1q81 h ARG 176 CO 0.01 0.33 0.19 1.49 -1.51 0.00 0.00 179.97 180.49 1q81 h GLU 177 N 0.52 0.32 0.02 0.20 4.57 -0.84 -2.32 114.58 117.05 1q81 h GLU 177 Ca 0.28 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1q81 h GLU 177 Cb 0.25 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1q81 h GLU 177 CO -0.22 0.21 -0.01 1.15 -1.18 0.00 0.00 179.01 178.96 1q81 h THR 178 N 0.33 1.06 0.00 0.32 2.02 -0.24 -2.99 112.91 113.41 1q81 h THR 178 Ca 0.36 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1q81 h THR 178 Cb 0.54 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1q81 h THR 178 CO -0.41 0.06 -0.02 -0.07 0.37 0.00 0.00 175.52 175.45 1q81 h LEU 179 N -0.12 0.00 -2.90 2.58 3.38 -0.86 -3.14 115.31 114.25 1q81 h LEU 179 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1q81 h LEU 179 Cb 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1q81 h LEU 179 CO 0.00 0.02 0.18 0.18 0.09 0.00 0.00 178.44 178.91 1q81 n LEU 180 N -3.19 5.03 0.00 1.67 4.77 -0.91 -4.78 117.00 119.59 1q81 n LEU 180 Ca -0.02 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 1q81 n LEU 180 Cb 0.17 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1q81 n LEU 180 CO 0.24 0.91 0.00 -0.90 -1.33 0.00 0.00 177.39 176.31 1q81 n ASP 181 N 0.61 0.00 0.00 -1.43 5.75 -1.19 -5.07 116.55 115.22 1q81 n ASP 181 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1q81 n ASP 181 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1q81 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q81 n GLY 182 N 0.00 4.29 0.81 6.12 0.00 -1.26 -4.97 105.19 110.18 1q81 n GLY 182 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1q81 n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q81 n ASP 183 N 8.39 -0.21 -4.78 1.61 5.75 -1.26 -4.68 116.55 121.37 1q81 n ASP 183 Ca 0.00 0.04 -0.32 0.00 -0.01 0.00 0.00 54.79 54.50 1q81 n ASP 183 Cb 0.00 -1.59 0.05 0.00 -1.03 0.00 0.00 41.12 38.54 1q81 n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1q81 s ILE 184 N -4.43 3.48 -1.80 2.12 -1.09 -1.26 -3.82 121.20 114.39 1q81 s ILE 184 Ca 0.00 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1q81 s ILE 184 Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1q81 s ILE 184 CO 0.00 -0.49 0.00 -0.62 -1.23 0.00 0.00 174.94 172.60 1q81 n GLU 185 N -2.61 -1.37 0.00 2.79 1.02 -1.26 -5.16 120.64 114.05 1q81 n GLU 185 Ca 0.09 1.04 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 1q81 n GLU 185 Cb 0.53 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 1q81 n GLU 185 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59