#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d87 s ALA 2 N 0.00 3.67 0.12 7.54 0.00 -1.26 -5.00 121.76 126.83 3d87 s ALA 2 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 3d87 s ALA 2 Cb 0.00 -2.31 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 3d87 s ALA 2 CO 0.00 0.56 1.82 0.14 0.00 0.00 0.00 175.76 178.29 3d87 s VAL 3 N -1.62 2.57 1.01 0.00 -7.23 -1.26 -4.93 120.40 108.93 3d87 s VAL 3 Ca 0.41 0.07 -0.19 0.00 -1.81 0.00 0.00 61.98 60.46 3d87 s VAL 3 Cb -0.13 -3.04 0.02 0.00 0.56 0.00 0.00 36.38 33.79 3d87 s VAL 3 CO 0.21 -0.00 -0.42 -2.65 -0.31 0.00 0.00 175.10 171.93 3d87 n PRO 4 N 5.72 -1.14 -1.26 4.82 -0.02 -1.26 -5.06 135.00 136.79 3d87 n PRO 4 Ca 0.18 -0.33 -0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3d87 n PRO 4 Cb 0.38 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3d87 n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d87 n GLY 5 N 2.66 2.23 0.00 -1.23 0.00 -1.26 -4.72 105.19 102.87 3d87 n GLY 5 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3d87 n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d87 n GLY 6 N -0.02 0.28 3.44 -0.02 0.00 -1.26 -4.99 105.19 102.62 3d87 n GLY 6 Ca -0.00 -1.55 -0.48 0.00 0.00 0.00 0.00 46.02 43.99 3d87 n GLY 6 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d87 n SER 7 N 0.00 1.48 -4.69 1.61 7.64 -1.26 -4.93 113.62 113.46 3d87 n SER 7 Ca 0.00 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 3d87 n SER 7 Cb 0.00 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 3d87 n SER 7 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3d87 s SER 8 N 8.27 7.27 0.87 6.43 0.15 -1.26 -5.04 113.70 130.40 3d87 s SER 8 Ca 1.16 1.55 -0.08 0.00 0.70 0.00 0.00 55.95 59.28 3d87 s SER 8 Cb -0.96 -2.55 0.14 0.00 -1.71 0.00 0.00 66.02 60.93 3d87 s SER 8 CO 0.48 -0.38 0.84 -0.81 1.20 0.00 0.00 173.24 174.57 3d87 n PRO 9 N 4.66 -0.55 -1.96 5.44 -0.04 -1.26 -4.96 135.00 136.33 3d87 n PRO 9 Ca 0.08 -1.58 -0.41 0.00 -0.04 0.00 0.00 63.50 61.54 3d87 n PRO 9 Cb 0.49 -0.78 -0.00 0.00 -0.04 0.00 0.00 33.50 33.17 3d87 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d87 n ALA 10 N -3.36 6.07 -0.19 0.55 0.00 -1.26 -4.80 120.51 117.51 3d87 n ALA 10 Ca -0.14 -4.05 0.02 0.00 0.00 0.00 0.00 53.44 49.27 3d87 n ALA 10 Cb 0.40 -3.12 0.06 0.00 0.00 0.00 0.00 19.45 16.79 3d87 n ALA 10 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3d87 n TRP 11 N 3.84 0.13 0.13 0.00 7.02 -1.26 0.22 117.44 127.52 3d87 n TRP 11 Ca 0.53 0.63 -0.14 0.00 -1.02 0.00 0.00 57.50 57.51 3d87 n TRP 11 Cb 0.32 -0.77 -0.08 0.00 -2.42 0.00 0.00 31.31 28.37 3d87 n TRP 11 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3d87 h THR 12 N 0.00 0.83 -0.47 -0.99 2.02 -1.87 3.58 112.91 116.02 3d87 h THR 12 Ca 0.23 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.41 3d87 h THR 12 Cb 0.36 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3d87 h THR 12 CO -0.53 0.00 0.28 1.56 0.37 0.00 0.00 175.52 177.21 3d87 h GLN 13 N -0.25 0.55 -0.10 6.66 1.08 0.22 -1.69 115.11 121.58 3d87 h GLN 13 Ca -0.02 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3d87 h GLN 13 Cb 0.19 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3d87 h GLN 13 CO 0.04 0.36 -0.04 0.00 -0.95 0.00 0.00 178.83 178.24 3d87 h GLN 15 N -0.15 -0.39 -0.68 0.00 -0.00 0.70 1.05 115.11 115.63 3d87 h GLN 15 Ca 0.02 0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 3d87 h GLN 15 Cb 0.49 0.09 -0.03 0.00 0.00 0.00 0.00 27.48 28.03 3d87 h GLN 15 CO 0.01 -0.26 0.13 -0.56 0.00 0.00 0.00 178.83 178.15 3d87 h GLN 16 N -0.41 1.12 -0.64 1.69 3.07 -1.34 0.11 115.11 118.71 3d87 h GLN 16 Ca 0.11 -0.29 -0.07 0.00 0.09 0.00 0.00 58.65 58.48 3d87 h GLN 16 Cb 0.60 -0.14 -0.03 0.00 0.08 0.00 0.00 27.48 28.00 3d87 h GLN 16 CO -0.47 1.01 0.11 -0.07 0.09 0.00 0.00 178.83 179.50 3d87 h LEU 17 N 1.04 1.01 0.46 0.06 3.38 0.35 -2.30 115.31 119.31 3d87 h LEU 17 Ca 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3d87 h LEU 17 Cb 0.42 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3d87 h LEU 17 CO 0.01 1.01 -0.22 0.77 0.09 0.00 0.00 178.44 180.10 3d87 h SER 18 N 0.97 -0.52 -0.91 -0.43 4.64 0.13 -3.09 113.55 114.33 3d87 h SER 18 Ca 0.19 -0.09 0.24 0.00 -0.47 0.00 0.00 61.79 61.67 3d87 h SER 18 Cb 0.42 0.14 -0.17 0.00 -0.31 0.00 0.00 62.40 62.48 3d87 h SER 18 CO 0.01 -0.15 -0.02 1.67 -0.87 0.00 0.00 176.83 177.48 3d87 n GLN 19 N -5.23 -0.07 -0.22 4.77 -0.06 0.36 0.33 117.38 117.25 3d87 n GLN 19 Ca -0.10 1.38 0.01 0.00 -2.00 0.00 0.00 57.00 56.28 3d87 n GLN 19 Cb 0.30 -2.17 0.25 0.00 -4.06 0.00 0.00 30.24 24.56 3d87 n GLN 19 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 3d87 h LYS 20 N 0.00 0.99 -0.44 3.69 3.64 -1.40 -2.63 116.57 120.42 3d87 h LYS 20 Ca 0.54 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.88 3d87 h LYS 20 Cb 1.08 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 3d87 h LYS 20 CO -0.87 0.65 0.26 -0.07 -2.27 0.00 0.00 179.45 177.15 3d87 h LEU 21 N 1.02 0.41 -2.40 5.20 3.38 0.54 -0.79 115.31 122.66 3d87 h LEU 21 Ca 0.28 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3d87 h LEU 21 Cb -0.10 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3d87 h LEU 21 CO -0.06 0.29 -0.02 0.00 0.09 0.00 0.00 178.44 178.74 3d87 h THR 23 N 0.00 0.00 -0.66 0.00 2.02 -1.10 -3.33 112.91 109.84 3d87 h THR 23 Ca -0.00 -0.67 0.18 0.00 0.77 0.00 0.00 66.41 66.69 3d87 h THR 23 Cb 0.06 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 3d87 h THR 23 CO 0.00 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.29 3d87 h LEU 24 N -1.06 0.09 -0.23 2.58 4.07 -1.16 -2.57 115.31 117.04 3d87 h LEU 24 Ca -0.04 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3d87 h LEU 24 Cb 0.30 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3d87 h LEU 24 CO 0.07 0.04 0.00 0.00 -1.08 0.00 0.00 178.44 177.47 3d87 n ALA 25 N -2.63 2.62 -1.31 1.53 0.00 -0.65 -3.39 120.51 116.69 3d87 n ALA 25 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 3d87 n ALA 25 Cb 0.67 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 18.99 3d87 n ALA 25 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3d87 n TRP 26 N -0.63 1.54 0.00 0.00 7.02 -0.97 -4.49 117.44 119.91 3d87 n TRP 26 Ca 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 57.50 55.16 3d87 n TRP 26 Cb 0.14 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 28.47 3d87 n TRP 26 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 3d87 n SER 27 N -0.95 0.00 -0.16 -0.99 7.64 -1.22 -5.00 113.62 112.94 3d87 n SER 27 Ca 0.37 0.89 0.00 0.00 1.01 0.00 0.00 58.87 61.14 3d87 n SER 27 Cb 1.16 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 3d87 n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d87 n ALA 28 N -2.21 -1.21 -3.63 -0.43 0.00 -1.26 -5.01 120.51 106.75 3d87 n ALA 28 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 3d87 n ALA 28 Cb 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 19.45 18.69 3d87 n ALA 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3d87 s HIS 29 N -2.89 2.33 0.21 0.00 2.46 -1.26 -4.98 115.29 111.15 3d87 s HIS 29 Ca 0.00 -1.13 -0.15 0.00 0.47 0.00 0.00 55.06 54.26 3d87 s HIS 29 Cb 0.00 -1.62 0.23 0.00 -0.13 0.00 0.00 32.58 31.06 3d87 s HIS 29 CO 0.00 -0.54 1.39 -0.35 -2.47 0.00 0.00 174.74 172.77 3d87 n PRO 30 N 4.10 -0.20 0.07 2.88 -0.04 -1.26 0.28 135.00 140.83 3d87 n PRO 30 Ca -0.20 1.38 -0.12 0.00 -0.04 0.00 0.00 63.50 64.52 3d87 n PRO 30 Cb 0.51 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 3d87 n PRO 30 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3d87 h LEU 31 N 0.00 0.44 0.01 1.53 3.38 -2.06 -3.26 115.31 115.36 3d87 h LEU 31 Ca 0.32 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3d87 h LEU 31 Cb 0.54 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3d87 h LEU 31 CO -0.89 1.15 -0.32 0.58 0.09 0.00 0.00 178.44 179.05 3d87 h VAL 32 N 0.19 1.55 -0.14 1.22 2.07 -1.57 -3.49 116.25 116.08 3d87 h VAL 32 Ca -0.07 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3d87 h VAL 32 Cb 1.54 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 3d87 h VAL 32 CO 0.15 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.92 3d87 n GLY 33 N 1.16 -1.05 3.42 2.17 0.00 0.78 -4.71 105.19 106.97 3d87 n GLY 33 Ca -0.10 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 3d87 n GLY 33 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d87 s HIS 34 N 0.00 3.15 0.03 1.61 3.76 -1.26 -4.35 115.29 118.23 3d87 s HIS 34 Ca 0.00 -0.69 -0.36 0.00 -0.15 0.00 0.00 55.06 53.85 3d87 s HIS 34 Cb 0.00 -3.30 -0.15 0.00 1.11 0.00 0.00 32.58 30.24 3d87 s HIS 34 CO 0.00 -0.89 1.51 -1.33 -0.85 0.00 0.00 174.74 173.18 3d87 n MET 35 N 5.68 1.51 -4.41 1.40 2.81 -1.26 -5.02 117.12 117.83 3d87 n MET 35 Ca -0.09 0.55 -0.19 0.00 -1.81 0.00 0.00 57.70 56.15 3d87 n MET 35 Cb 0.45 -2.25 -0.15 0.00 -0.71 0.00 0.00 33.22 30.56 3d87 n MET 35 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3d87 s ASP 36 N 1.39 1.16 0.00 7.83 1.01 -1.26 -4.95 116.67 121.85 3d87 s ASP 36 Ca 0.86 -0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.94 3d87 s ASP 36 Cb -0.88 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 42.89 3d87 s ASP 36 CO 0.48 0.11 0.00 -0.11 0.21 0.00 0.00 175.17 175.86 3d87 n LEU 37 N 2.92 0.00 -4.64 1.23 0.00 -1.26 -5.09 117.00 110.17 3d87 n LEU 37 Ca -0.14 0.00 -0.65 0.00 0.00 0.00 0.00 56.01 55.22 3d87 n LEU 37 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.88 3d87 n LEU 37 CO 0.25 0.00 1.30 0.54 0.00 0.00 0.00 177.39 179.48 3d87 n ARG 38 N 0.00 0.14 -1.95 1.96 5.12 -1.26 -4.99 116.66 115.68 3d87 n ARG 38 Ca 0.00 0.05 -0.29 0.00 -1.93 0.00 0.00 57.85 55.68 3d87 n ARG 38 Cb 0.00 -1.58 0.10 0.00 -1.16 0.00 0.00 32.46 29.82 3d87 n ARG 38 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3d87 s GLU 39 N 3.74 1.85 0.00 5.56 2.02 -1.26 -5.24 118.70 125.37 3d87 s GLU 39 Ca 1.08 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 56.06 3d87 s GLU 39 Cb -1.44 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 30.82 3d87 s GLU 39 CO 0.76 -1.64 0.00 -0.85 0.02 0.00 0.00 175.26 173.56 3d87 n GLU 40 N -3.31 0.00 -2.89 1.61 -0.00 -1.26 -5.33 120.64 109.47 3d87 n GLU 40 Ca 0.09 0.00 -0.44 0.00 -0.00 0.00 0.00 57.16 56.81 3d87 n GLU 40 Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 32.04 3d87 n GLU 40 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 3d87 s ASP 48 N -4.53 6.98 -0.27 -1.84 1.47 -1.26 -5.31 116.67 111.91 3d87 s ASP 48 Ca 0.00 -2.78 -0.26 0.00 1.18 0.00 0.00 52.55 50.68 3d87 s ASP 48 Cb 0.00 -2.43 0.16 0.00 -0.34 0.00 0.00 42.92 40.32 3d87 s ASP 48 CO 0.00 -0.86 1.26 0.54 0.68 0.00 0.00 175.17 176.80 3d87 s VAL 49 N 2.14 0.00 0.81 2.11 0.11 -1.26 -4.99 120.40 119.31 3d87 s VAL 49 Ca 0.43 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.37 3d87 s VAL 49 Cb -0.02 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.91 3d87 s VAL 49 CO -0.00 0.00 1.09 -2.84 -3.33 0.00 0.00 175.10 170.02 3d87 s PRO 50 N -0.27 1.97 -0.07 1.54 0.02 -1.26 -5.07 135.00 131.85 3d87 s PRO 50 Ca 0.05 0.86 -0.09 0.00 0.02 0.00 0.00 61.00 61.84 3d87 s PRO 50 Cb -0.04 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.62 3d87 s PRO 50 CO -0.09 -1.76 0.23 -1.01 -0.33 0.00 0.00 177.00 174.04 3d87 s HIS 51 N -3.01 -0.21 -0.57 6.54 3.76 -1.26 -4.99 115.29 115.55 3d87 s HIS 51 Ca 0.61 0.48 -0.26 0.00 -0.15 0.00 0.00 55.06 55.74 3d87 s HIS 51 Cb -0.16 0.07 0.04 0.00 1.11 0.00 0.00 32.58 33.63 3d87 s HIS 51 CO 0.56 -0.17 1.08 0.42 -0.85 0.00 0.00 174.74 175.78 3d87 s ILE 52 N -0.24 4.17 0.63 0.60 -1.09 -1.26 -4.97 121.20 119.05 3d87 s ILE 52 Ca -0.03 0.61 0.02 0.00 -2.23 0.00 0.00 60.65 59.02 3d87 s ILE 52 Cb -0.03 -4.65 0.09 0.00 -1.58 0.00 0.00 42.46 36.29 3d87 s ILE 52 CO 0.01 -1.26 0.87 -1.10 -1.23 0.00 0.00 174.94 172.24 3d87 s GLN 53 N 4.53 2.09 0.09 2.79 -0.21 -1.26 -5.00 119.66 122.68 3d87 s GLN 53 Ca 0.37 -1.12 -0.27 0.00 0.02 0.00 0.00 55.36 54.35 3d87 s GLN 53 Cb -0.10 -2.45 -0.11 0.00 1.00 0.00 0.00 33.01 31.35 3d87 s GLN 53 CO 0.22 -1.08 1.44 0.00 -2.12 0.00 0.00 175.29 173.75 3d87 n GLY 55 N -1.36 -0.83 0.34 0.00 0.00 -1.26 -3.83 105.19 98.24 3d87 n GLY 55 Ca -0.06 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3d87 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d87 n ASP 56 N -0.57 0.99 -0.78 1.61 8.00 -0.84 -4.95 116.55 120.02 3d87 n ASP 56 Ca 0.03 -1.76 -0.10 0.00 0.71 0.00 0.00 54.79 53.67 3d87 n ASP 56 Cb 0.01 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 3d87 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d87 n GLY 57 N 0.91 1.09 0.26 0.44 0.00 -1.25 -2.59 105.19 104.05 3d87 n GLY 57 Ca 0.12 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3d87 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d87 s ASP 59 N -2.44 7.07 0.22 0.00 1.47 -1.26 -4.69 116.67 117.04 3d87 s ASP 59 Ca 0.26 2.34 0.04 0.00 1.18 0.00 0.00 52.55 56.38 3d87 s ASP 59 Cb 0.19 -2.62 0.62 0.00 -0.34 0.00 0.00 42.92 40.77 3d87 s ASP 59 CO 0.50 -0.34 1.09 -2.65 0.68 0.00 0.00 175.17 174.45 3d87 n PRO 60 N 1.77 -0.05 -0.09 2.11 -0.02 -1.26 -0.27 135.00 137.19 3d87 n PRO 60 Ca 0.02 1.02 -0.10 0.00 -2.02 0.00 0.00 63.50 62.42 3d87 n PRO 60 Cb 0.44 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 3d87 n PRO 60 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3d87 h GLN 61 N 0.00 0.42 -0.32 -0.52 1.08 -1.93 -2.56 115.11 111.29 3d87 h GLN 61 Ca 0.46 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.43 3d87 h GLN 61 Cb 1.02 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.37 3d87 h GLN 61 CO -0.63 0.44 -0.40 0.78 -0.95 0.00 0.00 178.83 178.07 3d87 h GLY 62 N 0.32 0.91 -0.28 3.46 0.00 -0.96 -3.04 103.07 103.47 3d87 h GLY 62 Ca 0.10 -0.98 0.31 0.00 0.00 0.00 0.00 47.33 46.76 3d87 h GLY 62 CO -0.01 0.88 0.77 1.41 0.00 0.00 0.00 176.54 179.60 3d87 h LEU 63 N 0.61 0.18 0.09 3.11 3.38 -0.33 0.22 115.31 122.57 3d87 h LEU 63 Ca 0.04 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 3d87 h LEU 63 Cb 1.00 0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.77 3d87 h LEU 63 CO 0.10 0.03 -0.71 -0.09 0.09 0.00 0.00 178.44 177.85 3d87 h ARG 64 N 0.15 0.32 0.67 1.13 2.43 -1.36 -3.35 114.38 114.37 3d87 h ARG 64 Ca 0.58 -0.46 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3d87 h ARG 64 Cb 1.96 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.67 3d87 h ARG 64 CO -0.13 1.19 -0.45 -0.44 -1.51 0.00 0.00 179.97 178.63 3d87 h ASP 65 N -0.32 -1.15 -1.94 -3.80 3.32 -0.98 -3.47 116.42 108.09 3d87 h ASP 65 Ca -0.11 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3d87 h ASP 65 Cb 1.51 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 41.39 3d87 h ASP 65 CO 0.13 -0.67 -0.00 -3.20 -1.72 0.00 0.00 179.24 173.79 3d87 n ASN 66 N -5.23 -0.41 0.00 6.45 5.15 0.57 -5.06 115.26 116.74 3d87 n ASN 66 Ca -0.13 -1.44 0.00 0.00 -0.60 0.00 0.00 54.58 52.41 3d87 n ASN 66 Cb 0.45 0.73 0.00 0.00 -0.53 0.00 0.00 39.78 40.42 3d87 n ASN 66 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3d87 n SER 67 N -1.72 0.00 -0.06 1.20 3.41 -1.26 -2.81 113.62 112.38 3d87 n SER 67 Ca -0.01 -0.20 -0.13 0.00 -0.26 0.00 0.00 58.87 58.27 3d87 n SER 67 Cb 0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 3d87 n SER 67 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3d87 h GLN 68 N 0.00 0.42 -0.14 4.33 5.75 -1.93 0.11 115.11 123.66 3d87 h GLN 68 Ca 0.00 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.27 3d87 h GLN 68 Cb 0.13 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 3d87 h GLN 68 CO 0.00 0.82 0.05 0.35 -2.65 0.00 0.00 178.83 177.40 3d87 h PHE 69 N 0.05 0.10 0.25 3.99 3.57 -1.88 0.74 116.94 123.76 3d87 h PHE 69 Ca 0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3d87 h PHE 69 Cb 0.76 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3d87 h PHE 69 CO 0.09 0.06 -0.23 0.00 -2.23 0.00 0.00 178.31 176.00 3d87 h LEU 71 N -0.47 0.33 -0.64 0.00 3.38 -0.58 1.24 115.31 118.57 3d87 h LEU 71 Ca -0.03 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3d87 h LEU 71 Cb 0.40 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3d87 h LEU 71 CO -0.02 -0.15 0.12 -0.61 0.09 0.00 0.00 178.44 177.87 3d87 h GLN 72 N 0.17 1.06 -0.38 1.13 4.15 0.13 -0.96 115.11 120.41 3d87 h GLN 72 Ca 0.77 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.86 3d87 h GLN 72 Cb 2.21 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.76 3d87 h GLN 72 CO -0.46 0.97 0.03 -0.09 -1.93 0.00 0.00 178.83 177.35 3d87 h ARG 73 N 0.97 0.65 -0.53 1.69 9.65 0.38 -1.88 114.38 125.31 3d87 h ARG 73 Ca 0.20 -0.19 0.10 0.00 -1.10 0.00 0.00 59.98 58.98 3d87 h ARG 73 Cb 0.42 -0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.85 3d87 h ARG 73 CO 0.01 0.73 0.08 0.82 2.80 0.00 0.00 179.97 184.41 3d87 h ILE 74 N 0.48 0.67 -0.85 1.20 2.04 -0.80 0.22 117.51 120.46 3d87 h ILE 74 Ca 0.11 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.97 3d87 h ILE 74 Cb 0.42 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3d87 h ILE 74 CO 0.01 0.04 0.52 -0.74 0.00 0.00 0.00 178.15 177.98 3d87 h HIS 75 N 0.21 0.95 -0.14 1.37 2.76 -0.98 0.19 115.15 119.51 3d87 h HIS 75 Ca 0.27 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.50 3d87 h HIS 75 Cb 0.39 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 3d87 h HIS 75 CO -0.26 0.46 -0.04 0.37 -1.30 0.00 0.00 177.93 177.17 3d87 h GLN 76 N 0.93 -0.01 0.52 5.26 4.15 0.04 0.10 115.11 126.10 3d87 h GLN 76 Ca 0.38 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 3d87 h GLN 76 Cb 0.22 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3d87 h GLN 76 CO -0.19 -0.00 -0.38 0.78 -1.93 0.00 0.00 178.83 177.10 3d87 h GLY 77 N -0.01 -0.97 -0.01 2.39 0.00 0.45 0.17 103.07 105.10 3d87 h GLY 77 Ca 0.07 0.43 0.10 0.00 0.00 0.00 0.00 47.33 47.93 3d87 h GLY 77 CO -0.15 -0.34 -0.12 1.41 0.00 0.00 0.00 176.54 177.34 3d87 h LEU 78 N -0.88 -0.46 -0.57 3.11 3.38 -0.58 0.18 115.31 119.51 3d87 h LEU 78 Ca -0.06 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.15 3d87 h LEU 78 Cb 0.74 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 3d87 h LEU 78 CO 0.02 -0.16 0.21 0.40 0.09 0.00 0.00 178.44 179.00 3d87 h ILE 79 N 0.01 0.80 -0.13 1.22 1.08 -0.34 0.73 117.51 120.88 3d87 h ILE 79 Ca 0.25 -0.14 -0.07 0.00 -0.39 0.00 0.00 64.86 64.51 3d87 h ILE 79 Cb 0.37 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3d87 h ILE 79 CO -0.52 0.07 -0.20 0.15 -0.69 0.00 0.00 178.15 176.96 3d87 h PHE 80 N 0.40 0.45 0.14 1.37 3.57 0.57 -1.37 116.94 122.08 3d87 h PHE 80 Ca 0.28 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3d87 h PHE 80 Cb 0.32 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3d87 h PHE 80 CO -0.16 0.81 -0.07 1.88 -2.23 0.00 0.00 178.31 178.54 3d87 h TYR 81 N -0.03 -0.18 -0.88 0.41 0.05 -0.49 -1.81 116.97 114.03 3d87 h TYR 81 Ca 0.01 -0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.95 3d87 h TYR 81 Cb 0.76 0.06 -0.16 0.00 1.01 0.00 0.00 36.73 38.40 3d87 h TYR 81 CO 0.10 -0.03 -0.29 1.49 -1.05 0.00 0.00 178.16 178.37 3d87 h GLU 82 N -0.29 -0.02 0.39 4.88 4.57 0.52 0.15 114.58 124.78 3d87 h GLU 82 Ca -0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3d87 h GLU 82 Cb 0.23 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3d87 h GLU 82 CO 0.03 -0.02 -0.42 0.87 -1.18 0.00 0.00 179.01 178.29 3d87 h LYS 83 N -0.02 -0.81 -0.52 1.92 1.57 -0.97 -2.13 116.57 115.61 3d87 h LYS 83 Ca 0.38 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.31 3d87 h LYS 83 Cb 0.63 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 33.01 3d87 h LYS 83 CO -0.91 -0.54 -0.33 -0.07 -0.57 0.00 0.00 179.45 177.03 3d87 h LEU 84 N -0.84 -1.12 -1.31 2.94 3.38 0.06 0.05 115.31 118.47 3d87 h LEU 84 Ca -0.03 0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.28 3d87 h LEU 84 Cb 0.76 0.55 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 3d87 h LEU 84 CO -0.08 -0.31 0.56 -0.07 0.09 0.00 0.00 178.44 178.63 3d87 h LEU 85 N -0.19 0.66 -0.31 1.67 4.07 -0.66 -1.56 115.31 118.98 3d87 h LEU 85 Ca 0.21 0.03 -0.17 0.00 0.08 0.00 0.00 57.88 58.03 3d87 h LEU 85 Cb 0.54 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.18 3d87 h LEU 85 CO -0.63 0.36 -0.47 1.23 -1.08 0.00 0.00 178.44 177.84 3d87 h GLY 86 N 0.71 0.96 -1.87 0.83 0.00 -0.38 -3.40 103.07 99.92 3d87 h GLY 86 Ca 0.42 -1.07 -0.49 0.00 0.00 0.00 0.00 47.33 46.19 3d87 h GLY 86 CO -0.18 0.96 -1.64 -1.14 0.00 0.00 0.00 176.54 174.54 3d87 n SER 87 N -4.06 -2.95 0.03 0.19 3.41 -0.33 -4.73 113.62 105.19 3d87 n SER 87 Ca -0.04 0.01 0.03 0.00 -0.26 0.00 0.00 58.87 58.61 3d87 n SER 87 Cb 0.59 -0.82 0.13 0.00 -0.26 0.00 0.00 64.21 63.85 3d87 n SER 87 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3d87 n ASP 88 N 0.59 0.10 0.13 4.04 5.68 -1.26 -2.76 116.55 123.06 3d87 n ASP 88 Ca 0.00 0.54 -0.14 0.00 -0.50 0.00 0.00 54.79 54.70 3d87 n ASP 88 Cb 0.65 -0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 40.00 3d87 n ASP 88 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3d87 h ILE 89 N 0.00 0.24 -0.16 2.12 2.04 -1.82 0.74 117.51 120.67 3d87 h ILE 89 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3d87 h ILE 89 Cb 0.03 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3d87 h ILE 89 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64 3d87 n PHE 90 N -5.45 0.19 0.29 1.37 3.01 -1.11 -3.84 117.46 111.92 3d87 n PHE 90 Ca -0.07 -0.10 0.05 0.00 1.01 0.00 0.00 57.45 58.34 3d87 n PHE 90 Cb 0.36 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.76 3d87 n PHE 90 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3d87 n THR 91 N 0.49 0.00 -1.36 4.37 -2.24 -0.84 -4.52 114.28 110.18 3d87 n THR 91 Ca 0.17 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.41 3d87 n THR 91 Cb 0.38 0.74 0.22 0.00 -2.10 0.00 0.00 70.33 69.57 3d87 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d87 n GLY 92 N 1.48 -2.26 3.92 3.38 0.00 0.25 -4.83 105.19 107.12 3d87 n GLY 92 Ca 0.01 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 3d87 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d87 s GLU 93 N -5.52 3.58 0.00 1.61 2.12 -1.26 -3.20 118.70 116.02 3d87 s GLU 93 Ca 0.69 -0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.76 3d87 s GLU 93 Cb -0.05 -2.68 -0.16 0.00 0.26 0.00 0.00 34.13 31.50 3d87 s GLU 93 CO 0.51 0.23 0.99 -0.35 -0.54 0.00 0.00 175.26 176.10 3d87 n PRO 94 N -1.09 0.00 -0.45 4.30 -0.05 -1.26 -4.46 135.00 131.98 3d87 n PRO 94 Ca -0.03 -0.51 -0.20 0.00 -0.05 0.00 0.00 63.50 62.71 3d87 n PRO 94 Cb 0.54 -1.80 -0.04 0.00 -0.05 0.00 0.00 33.50 32.15 3d87 n PRO 94 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 3d87 n SER 95 N 5.99 0.24 -4.52 3.54 7.64 -1.20 -4.93 113.62 120.39 3d87 n SER 95 Ca 0.20 0.22 -0.34 0.00 1.01 0.00 0.00 58.87 59.96 3d87 n SER 95 Cb 0.26 -0.32 -0.12 0.00 -1.01 0.00 0.00 64.21 63.02 3d87 n SER 95 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d87 s LEU 96 N 2.27 3.19 0.44 -3.43 2.01 -1.26 -5.12 118.68 116.79 3d87 s LEU 96 Ca 0.43 -0.10 -0.25 0.00 0.01 0.00 0.00 54.13 54.22 3d87 s LEU 96 Cb -0.52 -1.74 -0.08 0.00 0.01 0.00 0.00 46.19 43.86 3d87 s LEU 96 CO 0.23 0.24 1.37 -1.48 1.01 0.00 0.00 176.35 177.71 3d87 s LEU 97 N -0.08 4.12 0.00 1.79 -0.00 -1.26 -4.94 118.68 118.31 3d87 s LEU 97 Ca 0.01 2.78 0.07 0.00 -0.00 0.00 0.00 54.13 57.00 3d87 s LEU 97 Cb -0.13 -3.97 0.37 0.00 -0.00 0.00 0.00 46.19 42.46 3d87 s LEU 97 CO 0.03 -1.09 1.06 -0.81 -0.00 0.00 0.00 176.35 175.54 3d87 n PRO 98 N -0.18 0.12 -0.01 1.48 -0.04 -1.26 -0.32 135.00 134.79 3d87 n PRO 98 Ca 0.05 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3d87 n PRO 98 Cb 0.43 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 3d87 n PRO 98 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d87 n ASP 99 N -1.25 0.35 -4.60 3.54 5.68 -1.26 -4.22 116.55 114.79 3d87 n ASP 99 Ca 0.04 -0.35 -0.30 0.00 -0.50 0.00 0.00 54.79 53.68 3d87 n ASP 99 Cb 0.05 1.65 0.19 0.00 -1.14 0.00 0.00 41.12 41.87 3d87 n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3d87 n SER 100 N -2.00 -0.33 -0.34 -1.12 3.41 0.56 -4.61 113.62 109.18 3d87 n SER 100 Ca -0.01 0.27 0.17 0.00 -0.26 0.00 0.00 58.87 59.03 3d87 n SER 100 Cb 0.49 -1.40 0.37 0.00 -0.26 0.00 0.00 64.21 63.41 3d87 n SER 100 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3d87 h PRO 101 N -2.09 0.57 -0.23 4.33 0.11 -1.94 0.52 132.00 133.28 3d87 h PRO 101 Ca -0.48 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 3d87 h PRO 101 Cb 1.29 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3d87 h PRO 101 CO 0.43 0.38 -0.31 0.28 -0.21 0.00 0.00 178.00 178.56 3d87 h VAL 102 N 0.59 1.28 0.82 3.15 2.07 -1.87 -2.06 116.25 120.23 3d87 h VAL 102 Ca 0.63 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3d87 h VAL 102 Cb 1.18 1.44 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3d87 h VAL 102 CO -0.47 0.43 -0.40 1.23 0.02 0.00 0.00 177.57 178.39 3d87 h GLY 103 N 1.06 -1.16 0.96 2.17 0.00 -0.15 -1.81 103.07 104.14 3d87 h GLY 103 Ca 0.05 0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.90 3d87 h GLY 103 CO 0.06 -0.42 0.44 1.46 0.00 0.00 0.00 176.54 178.07 3d87 h GLN 104 N -1.11 0.00 0.00 4.80 4.20 -1.34 -1.51 115.11 120.15 3d87 h GLN 104 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3d87 h GLN 104 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3d87 h GLN 104 CO 0.18 0.00 0.00 -0.11 -0.67 0.00 0.00 178.83 178.23 3d87 n LEU 105 N -3.43 0.19 -0.30 1.46 7.94 -0.74 0.58 117.00 122.70 3d87 n LEU 105 Ca 0.05 0.75 0.13 0.00 -1.11 0.00 0.00 56.01 55.82 3d87 n LEU 105 Cb 0.57 -0.37 0.29 0.00 0.53 0.00 0.00 43.42 44.44 3d87 n LEU 105 CO 0.22 -0.37 0.92 -0.74 -1.11 0.00 0.00 177.39 176.31 3d87 h HIS 106 N 0.00 0.27 -0.05 1.96 2.76 -1.16 0.26 115.15 119.19 3d87 h HIS 106 Ca 0.00 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3d87 h HIS 106 Cb 0.00 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 3d87 h HIS 106 CO 0.13 -0.25 -0.29 0.00 -1.30 0.00 0.00 177.93 176.21 3d87 h ALA 107 N 1.81 -0.70 0.00 5.26 0.00 -1.20 -2.39 119.26 122.04 3d87 h ALA 107 Ca 0.55 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.38 3d87 h ALA 107 Cb 1.13 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3d87 h ALA 107 CO -0.70 -0.80 -0.22 0.77 0.00 0.00 0.00 179.25 178.30 3d87 h SER 108 N -0.33 0.00 0.00 0.00 0.02 0.24 -2.35 113.55 111.13 3d87 h SER 108 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3d87 h SER 108 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3d87 h SER 108 CO -0.22 0.22 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 3d87 n LEU 109 N -4.24 0.00 -0.28 5.07 4.77 0.69 -1.42 117.00 121.59 3d87 n LEU 109 Ca -0.02 0.79 -0.07 0.00 -0.03 0.00 0.00 56.01 56.68 3d87 n LEU 109 Cb 0.28 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 3d87 n LEU 109 CO 0.37 -0.29 0.37 -0.11 -1.33 0.00 0.00 177.39 176.39 3d87 n LEU 110 N -1.56 -0.71 -0.38 2.23 7.94 -0.94 -0.04 117.00 123.54 3d87 n LEU 110 Ca 0.00 1.29 -0.04 0.00 -1.11 0.00 0.00 56.01 56.15 3d87 n LEU 110 Cb 0.00 -0.20 -0.01 0.00 0.53 0.00 0.00 43.42 43.74 3d87 n LEU 110 CO 0.00 -1.02 0.53 0.61 -1.11 0.00 0.00 177.39 176.40 3d87 n GLY 111 N -1.17 -2.15 0.19 -3.96 0.00 -0.89 0.90 105.19 98.12 3d87 n GLY 111 Ca 0.01 1.10 0.05 0.00 0.00 0.00 0.00 46.02 47.18 3d87 n GLY 111 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d87 h LEU 112 N 0.00 0.00 0.67 0.99 5.85 0.43 -0.55 115.31 122.70 3d87 h LEU 112 Ca 0.27 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 3d87 h LEU 112 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3d87 h LEU 112 CO -0.94 0.38 -0.48 0.28 -0.34 0.00 0.00 178.44 177.35 3d87 h SER 113 N 0.00 -1.25 -0.85 1.25 0.02 0.42 -2.17 113.55 110.97 3d87 h SER 113 Ca -0.00 0.08 0.20 0.00 -0.84 0.00 0.00 61.79 61.23 3d87 h SER 113 Cb 0.82 0.38 -0.12 0.00 0.14 0.00 0.00 62.40 63.62 3d87 h SER 113 CO 0.05 -0.70 0.33 1.56 -1.14 0.00 0.00 176.83 176.92 3d87 h GLN 114 N -1.10 0.35 0.00 3.45 1.08 0.25 0.41 115.11 119.55 3d87 h GLN 114 Ca -0.09 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3d87 h GLN 114 Cb 0.91 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 3d87 h GLN 114 CO 0.04 0.23 0.00 -0.11 -0.95 0.00 0.00 178.83 178.05 3d87 n LEU 115 N -5.08 0.20 -0.10 1.46 0.00 -0.25 -1.60 117.00 111.62 3d87 n LEU 115 Ca 0.20 0.57 -0.19 0.00 0.00 0.00 0.00 56.01 56.59 3d87 n LEU 115 Cb 0.60 -0.56 -0.08 0.00 0.00 0.00 0.00 43.42 43.38 3d87 n LEU 115 CO 0.12 -0.48 -1.17 0.18 0.00 0.00 0.00 177.39 176.05 3d87 n LEU 116 N -1.74 1.95 -3.55 -1.96 4.77 0.13 -4.79 117.00 111.80 3d87 n LEU 116 Ca 0.02 0.13 -0.29 0.00 -0.03 0.00 0.00 56.01 55.83 3d87 n LEU 116 Cb 0.11 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.46 3d87 n LEU 116 CO 0.10 0.56 -0.30 -1.10 -1.33 0.00 0.00 177.39 175.32 3d87 s GLN 117 N -2.37 0.75 0.00 3.23 -1.52 -0.15 -5.01 119.66 114.59 3d87 s GLN 117 Ca -0.27 -1.46 0.00 0.00 -1.95 0.00 0.00 55.36 51.68 3d87 s GLN 117 Cb 0.09 -1.63 0.00 0.00 -0.22 0.00 0.00 33.01 31.26 3d87 s GLN 117 CO 0.38 -1.17 0.54 -2.30 -0.25 0.00 0.00 175.29 172.49 3d87 n PRO 118 N 4.02 0.00 -0.38 2.91 -0.02 -0.63 -4.09 135.00 136.80 3d87 n PRO 118 Ca 0.09 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3d87 n PRO 118 Cb 0.37 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3d87 n PRO 118 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3d87 n GLU 119 N 3.29 0.00 0.00 -0.52 4.07 -1.26 -4.74 120.64 121.49 3d87 n GLU 119 Ca 0.00 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 3d87 n GLU 119 Cb 0.00 -0.09 0.00 0.00 -0.06 0.00 0.00 31.44 31.29 3d87 n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3d87 n GLY 120 N 1.24 0.12 4.05 8.31 0.00 -1.26 -4.34 105.19 113.31 3d87 n GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d87 n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3d87 n HIS 121 N 1.18 0.00 -3.57 1.61 8.25 -1.26 -2.01 115.22 119.42 3d87 n HIS 121 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3d87 n HIS 121 Cb 0.00 -1.28 0.05 0.00 1.12 0.00 0.00 29.99 29.88 3d87 n HIS 121 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3d87 n HIS 122 N -1.71 -2.05 -3.88 4.41 -0.00 -1.26 -5.05 115.22 105.67 3d87 n HIS 122 Ca 0.00 0.85 -0.35 0.00 0.46 0.00 0.00 57.72 58.67 3d87 n HIS 122 Cb 0.00 -4.51 -0.14 0.00 -0.12 0.00 0.00 29.99 25.22 3d87 n HIS 122 CO 0.00 0.00 0.00 1.67 0.46 0.00 0.00 176.34 178.47 3d87 s TRP 123 N -3.53 3.21 0.00 1.57 -2.14 -0.85 -4.98 118.94 112.22 3d87 s TRP 123 Ca 0.08 -1.67 0.00 0.00 2.66 0.00 0.00 56.10 57.17 3d87 s TRP 123 Cb -0.02 -2.13 0.00 0.00 -3.10 0.00 0.00 33.47 28.22 3d87 s TRP 123 CO 0.78 -0.76 0.00 -1.91 -2.66 0.00 0.00 176.95 172.40 3d87 n GLU 124 N 4.68 0.00 -1.43 3.25 4.07 -1.26 -4.90 120.64 125.04 3d87 n GLU 124 Ca -0.14 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.83 3d87 n GLU 124 Cb 0.45 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.77 3d87 n GLU 124 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3d87 n THR 125 N 0.00 -0.03 0.00 6.31 -1.04 -1.26 -4.95 114.28 113.30 3d87 n THR 125 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3d87 n THR 125 Cb 0.00 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 3d87 n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3d87 n GLN 126 N -2.59 0.00 -2.57 -2.82 6.02 -1.26 -4.87 117.38 109.28 3d87 n GLN 126 Ca -0.14 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.71 3d87 n GLN 126 Cb 0.45 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.71 3d87 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3d87 n GLN 127 N 0.00 -2.46 -1.60 -1.09 0.00 -1.26 -4.80 117.38 106.17 3d87 n GLN 127 Ca 0.00 0.59 -0.53 0.00 0.00 0.00 0.00 57.00 57.07 3d87 n GLN 127 Cb 0.00 -5.21 -0.07 0.00 0.00 0.00 0.00 30.24 24.96 3d87 n GLN 127 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3d87 n ILE 128 N -3.49 0.33 0.00 -0.39 5.41 -1.26 -4.81 119.36 115.14 3d87 n ILE 128 Ca -0.13 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.48 3d87 n ILE 128 Cb 0.60 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 3d87 n ILE 128 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3d87 n PRO 129 N 6.79 0.00 0.00 0.38 -0.02 -1.26 -4.96 135.00 135.93 3d87 n PRO 129 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3d87 n PRO 129 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 3d87 n PRO 129 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3d87 n SER 130 N 0.00 0.00 0.00 2.55 7.64 -1.26 -5.04 113.62 117.51 3d87 n SER 130 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3d87 n SER 130 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3d87 n SER 130 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d87 n LEU 131 N 0.00 0.00 0.00 -3.43 4.77 -1.26 -5.18 117.00 111.90 3d87 n LEU 131 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3d87 n LEU 131 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3d87 n LEU 131 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 3d87 n SER 132 N 0.00 0.00 0.01 -1.43 2.88 -1.26 -4.98 113.62 108.83 3d87 n SER 132 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 3d87 n SER 132 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3d87 n SER 132 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d87 n PRO 133 N 6.20 0.25 -0.57 -1.46 -0.04 -1.26 -4.64 135.00 133.48 3d87 n PRO 133 Ca 0.00 -0.05 0.01 0.00 -0.04 0.00 0.00 63.50 63.42 3d87 n PRO 133 Cb 0.00 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 3d87 n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3d87 n SER 134 N -1.83 -3.08 -2.74 3.54 2.88 -1.26 -5.00 113.62 106.13 3d87 n SER 134 Ca 0.02 0.67 -0.03 0.00 -1.33 0.00 0.00 58.87 58.19 3d87 n SER 134 Cb 0.42 -1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 62.53 3d87 n SER 134 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d87 n GLN 135 N -2.05 -3.63 -0.41 -1.46 -0.00 -1.26 -4.61 117.38 103.96 3d87 n GLN 135 Ca -0.01 2.84 0.31 0.00 -0.00 0.00 0.00 57.00 60.15 3d87 n GLN 135 Cb 0.19 -4.37 0.48 0.00 -0.00 0.00 0.00 30.24 26.54 3d87 n GLN 135 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 3d87 n PRO 136 N 1.52 0.00 0.30 2.61 -0.04 -1.26 -2.59 135.00 135.55 3d87 n PRO 136 Ca -0.23 0.67 -0.15 0.00 -0.04 0.00 0.00 63.50 63.75 3d87 n PRO 136 Cb 0.39 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 3d87 n PRO 136 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3d87 h TRP 137 N 0.00 -0.73 -0.84 0.54 4.06 -1.89 3.28 115.95 120.38 3d87 h TRP 137 Ca 0.55 -0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.53 3d87 h TRP 137 Cb 2.30 0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 30.65 3d87 h TRP 137 CO 0.00 -0.39 0.55 1.96 -3.56 0.00 0.00 178.44 177.00 3d87 h GLN 138 N -1.06 0.98 0.54 0.49 4.20 -1.78 -0.87 115.11 117.61 3d87 h GLN 138 Ca -0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3d87 h GLN 138 Cb 0.66 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3d87 h GLN 138 CO 0.13 0.65 -0.36 -0.09 -0.67 0.00 0.00 178.83 178.49 3d87 h ARG 139 N 1.01 -0.82 -0.73 1.46 2.43 -1.40 0.28 114.38 116.61 3d87 h ARG 139 Ca 0.34 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.71 3d87 h ARG 139 Cb 0.10 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 29.70 3d87 h ARG 139 CO -0.11 -0.55 -0.25 1.25 -1.51 0.00 0.00 179.97 178.80 3d87 h LEU 140 N -0.85 -0.91 0.08 3.80 6.46 0.66 0.16 115.31 124.71 3d87 h LEU 140 Ca -0.07 0.23 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3d87 h LEU 140 Cb 0.69 0.53 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 3d87 h LEU 140 CO 0.06 -0.27 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.30 3d87 h LEU 141 N -0.05 -0.68 -0.44 2.25 3.38 -1.04 -2.48 115.31 116.25 3d87 h LEU 141 Ca 0.32 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.46 3d87 h LEU 141 Cb 0.56 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 3d87 h LEU 141 CO -0.77 -0.32 -0.15 0.25 0.09 0.00 0.00 178.44 177.54 3d87 h LEU 142 N -0.42 -0.54 -0.90 1.67 7.12 0.14 0.35 115.31 122.73 3d87 h LEU 142 Ca 0.04 0.15 0.16 0.00 0.13 0.00 0.00 57.88 58.35 3d87 h LEU 142 Cb 0.46 0.32 -0.16 0.00 -0.53 0.00 0.00 40.66 40.75 3d87 h LEU 142 CO -0.16 -0.19 -0.31 0.03 -0.13 0.00 0.00 178.44 177.68 3d87 h ARG 143 N -0.05 -0.03 0.00 1.25 3.08 -0.39 0.73 114.38 118.97 3d87 h ARG 143 Ca 0.21 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 3d87 h ARG 143 Cb 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3d87 h ARG 143 CO -0.48 -0.02 -0.32 0.74 -1.07 0.00 0.00 179.97 178.82 3d87 h PHE 144 N -0.03 0.00 -0.21 3.04 -1.00 -0.66 -0.88 116.94 117.21 3d87 h PHE 144 Ca 0.37 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.07 3d87 h PHE 144 Cb 0.62 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.18 3d87 h PHE 144 CO -0.77 0.32 -0.17 -0.22 -1.61 0.00 0.00 178.31 175.86 3d87 h LYS 145 N 0.00 0.48 -0.17 1.51 3.64 0.10 0.13 116.57 122.26 3d87 h LYS 145 Ca -0.00 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3d87 h LYS 145 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3d87 h LYS 145 CO 0.04 0.81 0.06 0.82 -2.27 0.00 0.00 179.45 178.91 3d87 h ILE 146 N 0.16 1.18 -0.99 2.00 2.04 -0.92 0.39 117.51 121.38 3d87 h ILE 146 Ca 0.04 -0.56 0.14 0.00 1.00 0.00 0.00 64.86 65.48 3d87 h ILE 146 Cb 0.71 1.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 3d87 h ILE 146 CO 0.04 0.17 0.62 -0.07 0.00 0.00 0.00 178.15 178.92 3d87 h LEU 147 N 0.11 0.85 0.31 1.44 3.38 -0.99 0.52 115.31 120.93 3d87 h LEU 147 Ca 0.06 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3d87 h LEU 147 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3d87 h LEU 147 CO -0.00 0.42 -0.29 -0.09 0.09 0.00 0.00 178.44 178.57 3d87 h ARG 148 N 0.89 -0.57 -0.93 1.13 9.65 0.03 -0.67 114.38 123.92 3d87 h ARG 148 Ca 0.51 0.04 0.19 0.00 -1.10 0.00 0.00 59.98 59.61 3d87 h ARG 148 Cb 0.62 0.13 -0.11 0.00 -1.39 0.00 0.00 29.97 29.22 3d87 h ARG 148 CO -0.28 -0.38 0.50 0.77 2.80 0.00 0.00 179.97 183.38 3d87 h SER 149 N -0.59 0.57 -0.05 -3.80 0.02 -0.34 -1.77 113.55 107.59 3d87 h SER 149 Ca -0.04 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3d87 h SER 149 Cb 0.51 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 3d87 h SER 149 CO -0.02 0.17 0.03 0.25 -1.14 0.00 0.00 176.83 176.12 3d87 h LEU 150 N 0.60 0.05 -0.90 5.07 5.85 -0.57 -1.51 115.31 123.90 3d87 h LEU 150 Ca 0.54 -0.00 0.25 0.00 0.84 0.00 0.00 57.88 59.51 3d87 h LEU 150 Cb 0.90 -0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.77 3d87 h LEU 150 CO -0.42 0.04 0.25 1.56 -0.34 0.00 0.00 178.44 179.53 3d87 h GLN 151 N 0.06 0.18 -0.06 1.25 4.20 -0.20 0.21 115.11 120.75 3d87 h GLN 151 Ca 0.02 -0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.47 3d87 h GLN 151 Cb -0.00 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 27.75 3d87 h GLN 151 CO -0.00 0.12 -0.94 0.00 -0.67 0.00 0.00 178.83 177.34 3d87 h ALA 152 N 1.81 0.21 -1.55 3.87 0.00 -1.46 -1.75 119.26 120.39 3d87 h ALA 152 Ca 0.58 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3d87 h ALA 152 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3d87 h ALA 152 CO -0.68 0.69 0.00 0.34 0.00 0.00 0.00 179.25 179.60 3d87 n PHE 153 N -3.88 0.00 -0.39 0.00 7.35 0.49 -2.51 117.46 118.52 3d87 n PHE 153 Ca -0.09 0.00 0.36 0.00 -0.76 0.00 0.00 57.45 56.95 3d87 n PHE 153 Cb 0.83 -0.24 0.62 0.00 0.35 0.00 0.00 39.48 41.04 3d87 n PHE 153 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 3d87 n VAL 154 N -1.33 -0.32 -0.11 -2.13 0.24 0.19 0.03 118.33 114.90 3d87 n VAL 154 Ca 0.00 1.87 -0.05 0.00 -2.04 0.00 0.00 64.34 64.12 3d87 n VAL 154 Cb 0.00 -3.05 0.02 0.00 -1.47 0.00 0.00 33.84 29.34 3d87 n VAL 154 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d87 h ALA 155 N 1.74 0.38 -0.44 2.33 0.00 -1.11 0.82 119.26 122.99 3d87 h ALA 155 Ca 0.85 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.79 3d87 h ALA 155 Cb 2.51 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 20.41 3d87 h ALA 155 CO -0.60 -0.36 0.05 0.28 0.00 0.00 0.00 179.25 178.63 3d87 h VAL 156 N 0.16 1.25 0.18 0.00 2.07 -0.10 -2.20 116.25 117.62 3d87 h VAL 156 Ca 0.18 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3d87 h VAL 156 Cb 0.23 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3d87 h VAL 156 CO -0.26 0.32 -0.39 0.00 0.02 0.00 0.00 177.57 177.26 3d87 h ALA 157 N 0.93 -0.71 -0.82 1.67 0.00 -1.26 0.41 119.26 119.48 3d87 h ALA 157 Ca 0.13 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.16 3d87 h ALA 157 Cb 0.41 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 3d87 h ALA 157 CO 0.01 -0.96 0.20 0.00 0.00 0.00 0.00 179.25 178.50 3d87 h ALA 158 N -0.15 1.11 -0.48 0.00 0.00 -0.67 0.35 119.26 119.42 3d87 h ALA 158 Ca 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3d87 h ALA 158 Cb 0.66 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3d87 h ALA 158 CO -0.19 -0.41 0.21 0.00 0.00 0.00 0.00 179.25 178.87 3d87 h ARG 159 N 0.23 0.70 0.19 0.00 3.08 -0.39 0.15 114.38 118.34 3d87 h ARG 159 Ca 0.49 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3d87 h ARG 159 Cb 0.92 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 3d87 h ARG 159 CO -0.60 0.61 -0.36 0.28 -1.07 0.00 0.00 179.97 178.83 3d87 h VAL 160 N 0.63 0.00 0.54 2.04 2.07 0.35 0.60 116.25 122.49 3d87 h VAL 160 Ca 0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3d87 h VAL 160 Cb 0.15 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3d87 h VAL 160 CO -0.02 0.00 -0.45 -0.26 0.02 0.00 0.00 177.57 176.86 3d87 h PHE 161 N -0.60 -1.22 -1.19 1.57 0.04 -0.77 0.22 116.94 114.99 3d87 h PHE 161 Ca -0.02 0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.09 3d87 h PHE 161 Cb 0.56 0.46 -0.07 0.00 2.20 0.00 0.00 35.95 39.10 3d87 h PHE 161 CO -0.32 -0.63 0.83 0.00 -0.60 0.00 0.00 178.31 177.59 3d87 h ALA 162 N -0.74 2.88 0.03 2.45 0.00 -0.68 1.63 119.26 124.83 3d87 h ALA 162 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3d87 h ALA 162 Cb 0.83 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3d87 h ALA 162 CO -0.01 -1.27 -0.01 1.25 0.00 0.00 0.00 179.25 179.20 3d87 h HIS 163 N 0.12 -0.04 -0.40 0.00 -0.00 0.06 -2.90 115.15 111.99 3d87 h HIS 163 Ca 0.61 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 61.04 3d87 h HIS 163 Cb 2.15 0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 29.52 3d87 h HIS 163 CO -0.00 0.64 0.09 0.78 -0.00 0.00 0.00 177.93 179.44 3d87 h GLY 164 N -0.92 0.48 -0.79 5.26 0.00 0.14 0.22 103.07 107.47 3d87 h GLY 164 Ca -0.00 -0.03 0.38 0.00 0.00 0.00 0.00 47.33 47.67 3d87 h GLY 164 CO 0.01 -0.03 0.76 0.00 0.00 0.00 0.00 176.54 177.28 3d87 h ALA 165 N 1.30 2.50 0.05 3.60 0.00 0.22 0.69 119.26 127.62 3d87 h ALA 165 Ca 0.19 0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.85 3d87 h ALA 165 Cb 0.23 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3d87 h ALA 165 CO -0.25 -1.08 -2.19 0.00 0.00 0.00 0.00 179.25 175.74 3d87 n ALA 166 N -2.47 1.25 0.58 0.00 0.00 -0.34 -4.49 120.51 115.02 3d87 n ALA 166 Ca 0.34 -0.90 0.12 0.00 0.00 0.00 0.00 53.44 52.99 3d87 n ALA 166 Cb 1.23 -0.43 0.24 0.00 0.00 0.00 0.00 19.45 20.50 3d87 n ALA 166 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3d87 n THR 167 N -3.25 0.39 -1.24 0.00 -2.24 0.64 -5.11 114.28 103.47 3d87 n THR 167 Ca -0.35 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3d87 n THR 167 Cb 1.04 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 70.18 3d87 n THR 167 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68