#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h87 n ASP 18 N 0.00 0.00 -4.75 3.42 8.00 -1.26 -4.92 116.55 117.04 3h87 n ASP 18 Ca 0.00 0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 3h87 n ASP 18 Cb 0.00 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 3h87 n ASP 18 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3h87 s GLN 19 N -2.67 4.59 0.09 -1.24 0.74 -1.26 -5.04 119.66 114.86 3h87 s GLN 19 Ca 0.24 1.84 0.05 0.00 0.05 0.00 0.00 55.36 57.54 3h87 s GLN 19 Cb 0.19 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.07 3h87 s GLN 19 CO 0.45 0.11 -0.13 1.03 -0.55 0.00 0.00 175.29 176.20 3h87 s ARG 20 N -1.09 0.86 0.21 1.67 0.52 -1.26 -4.99 118.95 114.87 3h87 s ARG 20 Ca 0.47 -1.05 0.11 0.00 -0.52 0.00 0.00 55.73 54.74 3h87 s ARG 20 Cb -0.32 -0.77 -0.05 0.00 0.52 0.00 0.00 34.95 34.34 3h87 s ARG 20 CO 0.40 0.16 -0.21 -1.58 0.02 0.00 0.00 175.30 174.09 3h87 s TRP 21 N -1.70 2.13 -0.21 -0.53 0.51 -0.24 -0.99 118.94 117.91 3h87 s TRP 21 Ca 0.02 -0.39 0.02 0.00 -2.12 0.00 0.00 56.10 53.62 3h87 s TRP 21 Cb -0.07 -1.02 0.03 0.00 -0.81 0.00 0.00 33.47 31.60 3h87 s TRP 21 CO 0.02 0.50 -0.16 -1.17 -0.51 0.00 0.00 176.95 175.63 3h87 s LEU 22 N -2.91 2.66 -0.19 2.99 2.96 0.12 -0.53 118.68 123.78 3h87 s LEU 22 Ca 0.22 -0.93 -0.20 0.00 -0.22 0.00 0.00 54.13 52.99 3h87 s LEU 22 Cb -0.06 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3h87 s LEU 22 CO 0.10 -0.08 0.60 -0.51 -1.32 0.00 0.00 176.35 175.14 3h87 s ILE 23 N 1.22 5.05 0.53 6.68 2.07 -0.35 -1.29 121.20 135.11 3h87 s ILE 23 Ca -0.00 1.12 -0.11 0.00 -1.41 0.00 0.00 60.65 60.25 3h87 s ILE 23 Cb -0.16 -3.92 -0.05 0.00 0.13 0.00 0.00 42.46 38.47 3h87 s ILE 23 CO -0.10 0.14 0.92 -0.62 -1.91 0.00 0.00 174.94 173.37 3h87 s ASP 24 N 1.17 6.37 0.43 4.50 2.15 -0.23 -4.70 116.67 126.36 3h87 s ASP 24 Ca 0.28 1.29 0.19 0.00 0.43 0.00 0.00 52.55 54.74 3h87 s ASP 24 Cb -0.16 -2.40 1.12 0.00 -0.30 0.00 0.00 42.92 41.18 3h87 s ASP 24 CO 0.10 -0.67 1.85 0.07 -0.17 0.00 0.00 175.17 176.35 3h87 h LYS 25 N 0.33 0.36 -0.10 4.34 2.10 -1.94 -1.39 116.57 120.27 3h87 h LYS 25 Ca -0.46 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.10 3h87 h LYS 25 Cb 1.19 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 3h87 h LYS 25 CO 0.62 0.24 -0.27 0.66 -2.00 0.00 0.00 179.45 178.70 3h87 h SER 26 N 0.37 0.18 0.29 7.07 4.64 -1.90 -2.50 113.55 121.70 3h87 h SER 26 Ca 0.49 -0.05 -0.33 0.00 -0.47 0.00 0.00 61.79 61.42 3h87 h SER 26 Cb 1.27 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3h87 h SER 26 CO -0.18 0.45 -1.70 0.00 -0.87 0.00 0.00 176.83 174.53 3h87 h ALA 27 N 1.56 0.27 -0.69 5.18 0.00 -1.59 -3.35 119.26 120.65 3h87 h ALA 27 Ca 0.03 -1.18 0.09 0.00 0.00 0.00 0.00 54.91 53.85 3h87 h ALA 27 Cb 0.57 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3h87 h ALA 27 CO 0.04 1.13 0.33 1.25 0.00 0.00 0.00 179.25 182.00 3h87 h LEU 28 N 0.08 0.41 -0.13 0.00 5.85 -0.99 -1.20 115.31 119.33 3h87 h LEU 28 Ca -0.32 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3h87 h LEU 28 Cb 2.06 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.09 3h87 h LEU 28 CO 0.16 0.23 0.00 0.55 -0.34 0.00 0.00 178.44 179.04 3h87 n VAL 29 N -4.89 0.54 0.54 1.05 3.14 -0.97 -3.53 118.33 114.21 3h87 n VAL 29 Ca 0.10 -0.09 0.06 0.00 -2.96 0.00 0.00 64.34 61.46 3h87 n VAL 29 Cb 0.27 -0.71 0.05 0.00 -1.06 0.00 0.00 33.84 32.39 3h87 n VAL 29 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3h87 n ARG 30 N -2.04 0.98 -0.19 1.45 1.74 -0.53 -4.65 116.66 113.40 3h87 n ARG 30 Ca 0.05 -1.19 -0.01 0.00 -0.77 0.00 0.00 57.85 55.93 3h87 n ARG 30 Cb 0.35 -1.24 0.10 0.00 -1.02 0.00 0.00 32.46 30.66 3h87 n ARG 30 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3h87 h LEU 31 N 2.39 0.22 -1.87 0.55 3.38 -1.39 -1.83 115.31 116.76 3h87 h LEU 31 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3h87 h LEU 31 Cb 0.53 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3h87 h LEU 31 CO 0.00 0.14 -0.11 0.00 0.09 0.00 0.00 178.44 178.56 3h87 h THR 32 N 0.40 0.46 -0.56 0.22 1.03 -1.85 -2.11 112.91 110.50 3h87 h THR 32 Ca 0.29 -0.55 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 3h87 h THR 32 Cb 0.35 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 3h87 h THR 32 CO -0.29 0.11 0.00 0.47 -0.01 0.00 0.00 175.52 175.80 3h87 n ASP 33 N -3.51 3.30 -4.84 0.00 8.00 -0.70 -4.92 116.55 113.88 3h87 n ASP 33 Ca -0.01 -1.98 -0.36 0.00 0.71 0.00 0.00 54.79 53.14 3h87 n ASP 33 Cb 0.25 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 3h87 n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3h87 s SER 34 N -1.12 6.88 0.62 -2.24 0.15 -0.79 -3.39 113.70 113.81 3h87 s SER 34 Ca 0.41 1.13 0.41 0.00 0.70 0.00 0.00 55.95 58.60 3h87 s SER 34 Cb 0.22 -2.31 2.19 0.00 -1.71 0.00 0.00 66.02 64.41 3h87 s SER 34 CO 0.29 0.13 2.26 -0.65 1.20 0.00 0.00 173.24 176.47 3h87 h PRO 35 N 3.73 0.00 -0.64 5.44 0.11 -1.82 -1.80 132.00 137.02 3h87 h PRO 35 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h87 h PRO 35 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h87 h PRO 35 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3h87 n ASP 36 N -2.99 4.55 -0.17 -2.05 8.00 -1.26 -4.67 116.55 117.96 3h87 n ASP 36 Ca -0.02 -2.56 -0.04 0.00 0.71 0.00 0.00 54.79 52.88 3h87 n ASP 36 Cb 0.10 -0.59 0.02 0.00 -0.02 0.00 0.00 41.12 40.63 3h87 n ASP 36 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3h87 h MET 37 N 3.50 -0.11 -0.46 -1.24 1.85 -1.51 -1.40 114.93 115.55 3h87 h MET 37 Ca 0.00 0.01 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 3h87 h MET 37 Cb 1.49 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.53 3h87 h MET 37 CO 0.30 -0.08 -0.19 1.49 -0.40 0.00 0.00 176.91 178.03 3h87 h GLU 38 N -0.12 0.92 -0.57 0.39 4.81 -1.86 -0.10 114.58 118.05 3h87 h GLU 38 Ca 0.24 -0.37 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3h87 h GLU 38 Cb 0.50 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3h87 h GLU 38 CO -0.60 1.03 0.32 0.82 -0.73 0.00 0.00 179.01 179.85 3h87 h ILE 39 N 0.80 1.02 -0.45 2.32 2.04 -1.79 -1.48 117.51 119.97 3h87 h ILE 39 Ca 0.11 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 3h87 h ILE 39 Cb 0.75 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3h87 h ILE 39 CO 0.06 0.11 -0.21 -0.50 0.00 0.00 0.00 178.15 177.62 3h87 h TRP 40 N 0.63 1.03 -0.88 1.37 4.06 -0.86 -1.34 115.95 119.96 3h87 h TRP 40 Ca 0.24 -0.24 0.10 0.00 2.06 0.00 0.00 58.89 61.05 3h87 h TRP 40 Cb 0.08 -0.25 -0.08 0.00 -1.00 0.00 0.00 29.16 27.92 3h87 h TRP 40 CO -0.07 1.02 0.52 0.66 -3.56 0.00 0.00 178.44 177.01 3h87 h SER 41 N 0.79 0.75 -0.32 -3.49 4.64 -0.38 -0.31 113.55 115.23 3h87 h SER 41 Ca 0.11 0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.34 3h87 h SER 41 Cb 0.76 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3h87 h SER 41 CO 0.06 0.42 -0.34 0.78 -0.87 0.00 0.00 176.83 176.88 3h87 h ASN 42 N 0.85 0.86 -0.66 4.97 -0.26 -0.89 -1.61 115.58 118.84 3h87 h ASN 42 Ca 0.43 -0.47 -0.08 0.00 -0.56 0.00 0.00 56.30 55.62 3h87 h ASN 42 Cb 0.40 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 3h87 h ASN 42 CO -0.25 1.16 0.12 0.03 -1.06 0.00 0.00 177.43 177.43 3h87 h ARG 43 N 0.57 1.10 -0.31 0.81 3.08 -0.84 -1.62 114.38 117.16 3h87 h ARG 43 Ca 0.05 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 3h87 h ARG 43 Cb 0.92 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3h87 h ARG 43 CO 0.08 0.99 0.17 0.82 -1.07 0.00 0.00 179.97 180.96 3h87 h ILE 44 N 1.03 1.14 -0.97 2.04 2.04 -0.99 -2.04 117.51 119.76 3h87 h ILE 44 Ca 0.21 -0.37 0.12 0.00 1.00 0.00 0.00 64.86 65.82 3h87 h ILE 44 Cb 0.42 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 3h87 h ILE 44 CO 0.01 0.14 0.61 -0.08 0.00 0.00 0.00 178.15 178.83 3h87 h GLU 45 N 0.39 0.91 0.00 2.37 4.81 -1.08 -1.53 114.58 120.44 3h87 h GLU 45 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3h87 h GLU 45 Cb 0.07 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3h87 h GLU 45 CO -0.02 0.60 0.00 0.54 -0.73 0.00 0.00 179.01 179.41 3h87 n ARG 46 N -4.58 0.86 -0.90 1.92 1.74 -0.63 -4.90 116.66 110.17 3h87 n ARG 46 Ca 0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3h87 n ARG 46 Cb 0.35 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3h87 n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h87 n GLY 47 N 0.85 0.46 0.22 -0.13 0.00 -0.58 -4.95 105.19 101.07 3h87 n GLY 47 Ca 0.21 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.56 3h87 n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h87 n LEU 48 N 0.00 1.02 -4.05 0.99 4.77 -0.80 -4.77 117.00 114.17 3h87 n LEU 48 Ca 0.00 -0.27 -0.32 0.00 -0.03 0.00 0.00 56.01 55.40 3h87 n LEU 48 Cb 0.00 -0.13 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 3h87 n LEU 48 CO 0.00 0.20 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.12 3h87 s VAL 49 N -2.60 2.07 0.42 4.08 1.01 -1.26 -1.08 120.40 123.04 3h87 s VAL 49 Ca 0.21 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.58 3h87 s VAL 49 Cb 0.19 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3h87 s VAL 49 CO 0.57 -0.07 0.64 -1.00 0.00 0.00 0.00 175.10 175.23 3h87 s HIS 50 N 1.14 3.31 0.01 5.22 3.76 0.32 -3.90 115.29 125.14 3h87 s HIS 50 Ca -0.07 0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 55.11 3h87 s HIS 50 Cb -0.20 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.29 3h87 s HIS 50 CO -0.05 -0.21 -0.01 -1.50 -0.85 0.00 0.00 174.74 172.12 3h87 s ILE 51 N -2.49 0.05 0.49 0.60 2.07 -0.44 -1.21 121.20 120.27 3h87 s ILE 51 Ca 0.46 -0.44 -0.08 0.00 -1.41 0.00 0.00 60.65 59.18 3h87 s ILE 51 Cb -0.10 -0.14 -0.05 0.00 0.13 0.00 0.00 42.46 42.30 3h87 s ILE 51 CO 0.37 -0.24 0.84 0.42 -1.91 0.00 0.00 174.94 174.42 3h87 s THR 52 N -0.71 4.82 0.32 4.00 -4.23 -1.26 -0.61 115.64 117.97 3h87 s THR 52 Ca -0.08 0.49 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 3h87 s THR 52 Cb -0.05 -3.82 0.28 0.00 1.34 0.00 0.00 72.50 70.24 3h87 s THR 52 CO -0.00 -0.81 1.94 1.23 -0.54 0.00 0.00 174.62 176.44 3h87 h GLY 53 N 0.42 1.16 0.97 3.99 0.00 -1.89 -2.08 103.07 105.66 3h87 h GLY 53 Ca -0.46 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 3h87 h GLY 53 CO 0.62 0.32 0.25 -2.08 0.00 0.00 0.00 176.54 175.64 3h87 h VAL 54 N 0.97 1.17 -0.20 4.60 2.07 -1.94 -2.08 116.25 120.84 3h87 h VAL 54 Ca 0.34 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3h87 h VAL 54 Cb 0.11 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3h87 h VAL 54 CO -0.11 0.19 -0.12 0.74 0.02 0.00 0.00 177.57 178.29 3h87 h THR 55 N 0.62 1.19 -0.66 2.57 2.02 -1.88 -1.81 112.91 114.96 3h87 h THR 55 Ca 0.16 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 3h87 h THR 55 Cb 0.07 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3h87 h THR 55 CO -0.02 0.27 0.28 0.03 0.37 0.00 0.00 175.52 176.44 3h87 h ARG 56 N 0.30 0.97 -0.49 6.66 3.08 -1.08 -0.30 114.38 123.53 3h87 h ARG 56 Ca 0.06 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3h87 h ARG 56 Cb 0.40 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3h87 h ARG 56 CO 0.02 0.80 0.21 -0.07 -1.07 0.00 0.00 179.97 179.86 3h87 h LEU 57 N 0.92 0.62 -0.45 3.04 3.38 -0.76 -1.18 115.31 120.89 3h87 h LEU 57 Ca 0.22 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3h87 h LEU 57 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3h87 h LEU 57 CO -0.02 0.55 0.02 -0.33 0.09 0.00 0.00 178.44 178.75 3h87 h GLU 58 N 0.69 0.77 -0.49 1.13 5.08 -0.59 -1.15 114.58 120.02 3h87 h GLU 58 Ca 0.17 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3h87 h GLU 58 Cb 0.12 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3h87 h GLU 58 CO -0.02 0.82 0.15 0.28 -1.00 0.00 0.00 179.01 179.24 3h87 h VAL 59 N 0.62 0.79 -0.76 3.13 2.07 -0.76 -1.46 116.25 119.88 3h87 h VAL 59 Ca 0.13 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3h87 h VAL 59 Cb 0.46 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3h87 h VAL 59 CO 0.02 0.06 0.26 1.23 0.02 0.00 0.00 177.57 179.16 3h87 h GLY 60 N 0.31 1.25 1.01 2.17 0.00 -1.06 -2.00 103.07 104.75 3h87 h GLY 60 Ca 0.24 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3h87 h GLY 60 CO -0.27 0.67 0.40 -2.75 0.00 0.00 0.00 176.54 174.60 3h87 h PHE 61 N 1.12 1.04 0.00 5.60 3.57 -0.88 -2.98 116.94 124.42 3h87 h PHE 61 Ca 0.25 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3h87 h PHE 61 Cb 0.27 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3h87 h PHE 61 CO 0.02 0.73 -0.46 0.66 -2.23 0.00 0.00 178.31 177.04 3h87 h SER 62 N 1.04 0.00 -3.99 0.41 4.64 -0.85 -3.45 113.55 111.35 3h87 h SER 62 Ca 0.26 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.05 3h87 h SER 62 Cb 0.05 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.24 3h87 h SER 62 CO -0.04 0.46 0.60 0.00 -0.87 0.00 0.00 176.83 176.98 3h87 s ALA 63 N -3.78 3.10 0.12 5.18 0.00 -0.79 -4.93 121.76 120.65 3h87 s ALA 63 Ca -0.01 1.24 0.14 0.00 0.00 0.00 0.00 51.96 53.33 3h87 s ALA 63 Cb 0.13 -3.51 0.33 0.00 0.00 0.00 0.00 23.12 20.07 3h87 s ALA 63 CO 0.72 -0.99 1.57 0.93 0.00 0.00 0.00 175.76 177.99 3h87 h GLU 64 N 2.20 0.00 -3.75 0.00 4.39 -1.87 -3.47 114.58 112.08 3h87 h GLU 64 Ca -0.50 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.10 3h87 h GLU 64 Cb 1.26 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.76 3h87 h GLU 64 CO 0.61 0.56 -0.41 0.00 -1.16 0.00 0.00 179.01 178.61 3h87 h GLY 66 N 3.09 0.75 1.74 0.00 0.00 -1.95 -2.75 103.07 103.95 3h87 h GLY 66 Ca -0.33 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.44 3h87 h GLY 66 CO 0.54 0.44 -0.25 0.83 0.00 0.00 0.00 176.54 178.09 3h87 h GLU 67 N 0.66 0.30 -0.34 4.80 4.39 -1.99 -0.24 114.58 122.17 3h87 h GLU 67 Ca 0.13 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3h87 h GLU 67 Cb 0.40 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3h87 h GLU 67 CO 0.01 0.54 -0.06 0.82 -1.16 0.00 0.00 179.01 179.17 3h87 h ILE 68 N 0.27 1.27 -0.07 3.13 2.04 -1.92 -1.64 117.51 120.59 3h87 h ILE 68 Ca 0.04 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3h87 h ILE 68 Cb 0.60 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3h87 h ILE 68 CO 0.04 0.36 -0.02 0.00 0.00 0.00 0.00 178.15 178.53 3h87 h ALA 69 N 0.82 0.04 -0.86 1.87 0.00 -1.21 -1.73 119.26 118.19 3h87 h ALA 69 Ca 0.09 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3h87 h ALA 69 Cb 0.55 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 3h87 h ALA 69 CO 0.03 -0.49 0.52 0.00 0.00 0.00 0.00 179.25 179.30 3h87 h ARG 70 N -0.00 0.85 -0.08 0.00 3.08 -0.94 -1.51 114.38 115.78 3h87 h ARG 70 Ca 0.03 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3h87 h ARG 70 Cb 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3h87 h ARG 70 CO -0.07 0.56 0.03 -0.09 -1.07 0.00 0.00 179.97 179.33 3h87 h ARG 71 N 0.88 0.07 -0.87 0.04 2.43 -1.07 -2.51 114.38 113.34 3h87 h ARG 71 Ca 0.41 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.59 3h87 h ARG 71 Cb 0.33 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 3h87 h ARG 71 CO -0.23 0.05 0.57 0.93 -1.51 0.00 0.00 179.97 179.78 3h87 h GLU 72 N 0.07 1.10 0.00 0.20 4.39 -0.78 -2.36 114.58 117.21 3h87 h GLU 72 Ca 0.03 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3h87 h GLU 72 Cb 0.02 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 3h87 h GLU 72 CO -0.04 0.73 -0.20 0.74 -1.16 0.00 0.00 179.01 179.08 3h87 h PHE 73 N 1.14 0.00 -0.01 4.33 0.04 -1.12 -2.91 116.94 118.41 3h87 h PHE 73 Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 3h87 h PHE 73 Cb -0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.08 3h87 h PHE 73 CO -0.01 0.20 -0.22 2.89 -0.60 0.00 0.00 178.31 180.57 3h87 n ARG 74 N -3.42 1.15 -4.38 1.51 1.85 -0.93 -4.00 116.66 108.43 3h87 n ARG 74 Ca -0.00 -0.74 -0.24 0.00 -1.00 0.00 0.00 57.85 55.87 3h87 n ARG 74 Cb 0.39 -1.48 -0.09 0.00 -1.05 0.00 0.00 32.46 30.23 3h87 n ARG 74 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3h87 s GLU 75 N -2.37 1.97 0.57 2.89 0.41 -0.94 -4.83 118.70 116.40 3h87 s GLU 75 Ca 0.26 -1.58 -0.20 0.00 -0.41 0.00 0.00 54.97 53.05 3h87 s GLU 75 Cb 0.19 -1.97 -0.04 0.00 -1.78 0.00 0.00 34.13 30.54 3h87 s GLU 75 CO 0.48 0.35 1.22 -1.25 -0.49 0.00 0.00 175.26 175.57 3h87 s PRO 76 N -3.51 3.11 0.35 0.39 0.04 -1.26 -1.39 135.00 132.73 3h87 s PRO 76 Ca 0.30 1.88 0.19 0.00 0.04 0.00 0.00 61.00 63.41 3h87 s PRO 76 Cb -0.06 -2.04 0.20 0.00 0.04 0.00 0.00 34.50 32.63 3h87 s PRO 76 CO 0.17 -1.11 1.51 -1.00 0.04 0.00 0.00 177.00 176.61 3h87 h PRO 77 N 1.14 0.00 -0.52 0.56 0.13 -2.00 -3.46 132.00 127.85 3h87 h PRO 77 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 3h87 h PRO 77 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3h87 h PRO 77 CO 0.56 0.25 0.15 -0.07 -0.23 0.00 0.00 178.00 178.65 3h87 h LEU 78 N 0.00 0.72 -1.93 1.56 3.38 -1.69 -1.72 115.31 115.63 3h87 h LEU 78 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3h87 h LEU 78 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3h87 h LEU 78 CO 0.03 0.70 0.00 0.77 0.09 0.00 0.00 178.44 180.03 3h87 h SER 79 N 0.76 0.00 0.05 -0.43 4.64 -1.36 -2.26 113.55 114.95 3h87 h SER 79 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3h87 h SER 79 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3h87 h SER 79 CO -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.88 3h87 n ALA 80 N -2.01 2.71 -2.54 5.18 0.00 -0.65 -4.86 120.51 118.34 3h87 n ALA 80 Ca -0.01 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 3h87 n ALA 80 Cb 0.18 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 3h87 n ALA 80 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h87 s MET 81 N -2.13 3.56 0.24 0.00 1.00 -0.85 -4.54 119.30 116.56 3h87 s MET 81 Ca 0.33 -0.57 -0.31 0.00 0.00 0.00 0.00 55.69 55.14 3h87 s MET 81 Cb 0.20 -3.79 -0.13 0.00 0.00 0.00 0.00 34.83 31.11 3h87 s MET 81 CO 0.38 -0.43 1.42 -2.30 0.00 0.00 0.00 175.02 174.09 3h87 n PRO 82 N 5.15 2.05 -3.26 2.03 -0.02 -1.25 -4.61 135.00 135.09 3h87 n PRO 82 Ca -0.12 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 3h87 n PRO 82 Cb 0.50 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 3h87 n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h87 s VAL 83 N -0.01 5.16 -0.35 -1.45 1.01 -1.26 -1.33 120.40 122.17 3h87 s VAL 83 Ca 0.69 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 63.62 3h87 s VAL 83 Cb -0.65 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 31.91 3h87 s VAL 83 CO 0.49 0.30 0.14 -1.61 0.00 0.00 0.00 175.10 174.42 3h87 s GLU 84 N 0.73 2.75 0.34 2.72 0.41 0.22 -4.94 118.70 120.93 3h87 s GLU 84 Ca 0.28 -1.11 -0.07 0.00 -0.41 0.00 0.00 54.97 53.66 3h87 s GLU 84 Cb -0.16 -3.56 -0.06 0.00 -1.78 0.00 0.00 34.13 28.58 3h87 s GLU 84 CO 0.11 -0.66 0.64 0.71 -0.49 0.00 0.00 175.26 175.58 3h87 s TYR 85 N 1.47 3.48 0.81 1.61 2.02 -1.26 -2.65 117.35 122.83 3h87 s TYR 85 Ca 0.00 0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 57.40 3h87 s TYR 85 Cb -0.19 -2.24 0.08 0.00 -0.40 0.00 0.00 41.96 39.21 3h87 s TYR 85 CO 0.04 0.05 1.10 -0.51 -1.57 0.00 0.00 175.55 174.66 3h87 s LEU 86 N -3.70 2.86 0.20 -1.29 1.43 -1.26 -5.01 118.68 111.91 3h87 s LEU 86 Ca 0.47 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 3h87 s LEU 86 Cb -0.11 -4.41 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 3h87 s LEU 86 CO 0.31 -2.28 -0.00 0.42 0.23 0.00 0.00 176.35 175.03 3h87 s THR 87 N -2.88 0.88 0.32 5.49 -4.23 -1.26 -5.04 115.64 108.92 3h87 s THR 87 Ca 0.62 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 3h87 s THR 87 Cb -0.18 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.61 3h87 s THR 87 CO 0.56 -0.40 1.90 -0.65 -0.54 0.00 0.00 174.62 175.50 3h87 h PRO 88 N 2.58 0.72 -0.34 3.99 0.11 -1.99 -1.69 132.00 135.36 3h87 h PRO 88 Ca -0.38 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3h87 h PRO 88 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3h87 h PRO 88 CO 0.63 0.61 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.85 3h87 h ARG 89 N 0.70 0.58 -0.20 1.05 9.65 -1.98 -0.81 114.38 123.37 3h87 h ARG 89 Ca 0.17 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3h87 h ARG 89 Cb 0.19 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3h87 h ARG 89 CO -0.01 0.68 0.01 0.82 2.80 0.00 0.00 179.97 184.27 3h87 h ILE 90 N 0.54 1.24 -0.64 1.20 2.04 -1.72 -0.88 117.51 119.28 3h87 h ILE 90 Ca 0.10 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.15 3h87 h ILE 90 Cb 0.50 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3h87 h ILE 90 CO 0.03 0.25 0.43 -0.33 0.00 0.00 0.00 178.15 178.52 3h87 h GLU 91 N 0.12 0.84 -0.66 2.37 5.08 -1.09 -0.71 114.58 120.53 3h87 h GLU 91 Ca 0.06 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3h87 h GLU 91 Cb 0.36 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3h87 h GLU 91 CO 0.01 0.56 0.14 -0.44 -1.00 0.00 0.00 179.01 178.27 3h87 h ASP 92 N 0.87 1.01 -0.62 1.42 3.32 -1.11 -2.82 116.42 118.50 3h87 h ASP 92 Ca 0.24 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3h87 h ASP 92 Cb -0.10 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.16 3h87 h ASP 92 CO -0.05 0.99 0.35 -0.09 -1.72 0.00 0.00 179.24 178.72 3h87 h ARG 93 N 1.01 0.85 -0.91 3.56 9.65 -0.63 -0.82 114.38 127.09 3h87 h ARG 93 Ca 0.21 -0.09 0.09 0.00 -1.10 0.00 0.00 59.98 59.08 3h87 h ARG 93 Cb 0.39 -0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 28.73 3h87 h ARG 93 CO 0.01 0.63 0.56 0.00 2.80 0.00 0.00 179.97 183.97 3h87 h ALA 94 N 1.17 1.30 -0.42 2.80 0.00 -1.02 -0.01 119.26 123.07 3h87 h ALA 94 Ca 0.22 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3h87 h ALA 94 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3h87 h ALA 94 CO -0.04 0.24 -0.18 1.25 0.00 0.00 0.00 179.25 180.52 3h87 h LEU 95 N 0.96 0.89 -0.21 0.00 5.85 -1.22 -0.83 115.31 120.76 3h87 h LEU 95 Ca 0.42 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3h87 h LEU 95 Cb 0.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3h87 h LEU 95 CO -0.22 1.09 0.12 -0.08 -0.34 0.00 0.00 178.44 179.01 3h87 h GLU 96 N 0.69 0.25 -0.53 1.25 4.81 -0.71 -1.64 114.58 118.70 3h87 h GLU 96 Ca 0.10 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3h87 h GLU 96 Cb 0.74 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3h87 h GLU 96 CO 0.06 0.16 0.34 0.28 -0.73 0.00 0.00 179.01 179.12 3h87 h VAL 97 N 0.25 1.11 -0.76 0.32 2.07 -0.92 -0.83 116.25 117.51 3h87 h VAL 97 Ca 0.08 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.47 3h87 h VAL 97 Cb -0.01 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 3h87 h VAL 97 CO -0.03 0.13 0.38 -0.61 0.02 0.00 0.00 177.57 177.46 3h87 h GLN 98 N 0.69 0.61 -0.31 1.57 4.15 -0.97 -0.15 115.11 120.70 3h87 h GLN 98 Ca 0.20 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.42 3h87 h GLN 98 Cb -0.06 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 3h87 h GLN 98 CO -0.06 0.40 -0.43 1.15 -1.93 0.00 0.00 178.83 177.97 3h87 h THR 99 N 0.63 1.28 -0.69 2.39 2.02 -0.86 -1.34 112.91 116.35 3h87 h THR 99 Ca 0.38 -1.61 -0.05 0.00 0.77 0.00 0.00 66.41 65.90 3h87 h THR 99 Cb 0.43 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3h87 h THR 99 CO -0.29 0.53 0.22 -0.07 0.37 0.00 0.00 175.52 176.28 3h87 h LEU 100 N 0.62 0.98 -0.95 2.58 3.38 -0.84 -1.67 115.31 119.40 3h87 h LEU 100 Ca 0.03 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3h87 h LEU 100 Cb 1.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3h87 h LEU 100 CO 0.10 0.91 -0.21 -0.07 0.09 0.00 0.00 178.44 179.26 3h87 h LEU 101 N 1.02 0.52 -1.38 1.67 3.38 -0.86 -2.34 115.31 117.32 3h87 h LEU 101 Ca 0.23 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3h87 h LEU 101 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3h87 h LEU 101 CO -0.01 0.73 -0.10 0.00 0.09 0.00 0.00 178.44 179.15 3h87 h ALA 102 N 1.31 1.49 0.00 1.53 0.00 -0.68 -1.10 119.26 121.82 3h87 h ALA 102 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3h87 h ALA 102 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3h87 h ALA 102 CO 0.04 0.36 -0.29 -0.44 0.00 0.00 0.00 179.25 178.92 3h87 h ASP 103 N 0.27 0.00 -0.56 0.00 3.32 -0.78 -2.30 116.42 116.37 3h87 h ASP 103 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3h87 h ASP 103 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3h87 h ASP 103 CO 0.02 0.29 0.00 0.54 -1.72 0.00 0.00 179.24 178.37 3h87 n ARG 104 N -3.95 4.60 -0.65 3.56 1.74 -0.72 -4.94 116.66 116.30 3h87 n ARG 104 Ca -0.02 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 54.09 3h87 n ARG 104 Cb 0.36 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 3h87 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h87 n GLY 105 N 0.66 0.70 3.75 -0.13 0.00 -0.87 -5.04 105.19 104.25 3h87 n GLY 105 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3h87 n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h87 s HIS 106 N -2.18 3.53 -0.05 1.61 3.76 -0.50 -4.99 115.29 116.46 3h87 s HIS 106 Ca 0.00 1.59 0.01 0.00 -0.15 0.00 0.00 55.06 56.51 3h87 s HIS 106 Cb 0.00 -3.33 0.02 0.00 1.11 0.00 0.00 32.58 30.38 3h87 s HIS 106 CO 0.00 -0.78 -0.05 -1.58 -0.85 0.00 0.00 174.74 171.48 3h87 s HIS 107 N -0.62 0.82 -1.45 1.40 2.46 -1.26 -4.35 115.29 112.29 3h87 s HIS 107 Ca 0.48 -0.25 -0.08 0.00 0.47 0.00 0.00 55.06 55.69 3h87 s HIS 107 Cb -0.32 -0.73 0.05 0.00 -0.13 0.00 0.00 32.58 31.46 3h87 s HIS 107 CO 0.39 -0.22 0.79 0.54 -2.47 0.00 0.00 174.74 173.77 3h87 n ARG 108 N 4.15 -4.84 0.00 2.88 5.12 -1.26 -4.90 116.66 117.81 3h87 n ARG 108 Ca -0.23 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 3h87 n ARG 108 Cb 0.51 -5.22 0.00 0.00 -1.16 0.00 0.00 32.46 26.58 3h87 n ARG 108 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3h87 n GLY 109 N -1.67 0.63 3.45 -0.13 0.00 -1.26 -4.86 105.19 101.35 3h87 n GLY 109 Ca -0.12 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 3h87 n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h87 n PRO 110 N -0.62 -2.16 -1.31 1.61 -0.02 -1.26 -4.86 135.00 126.38 3h87 n PRO 110 Ca 0.00 -0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 60.57 3h87 n PRO 110 Cb 0.00 -2.09 0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3h87 n PRO 110 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h87 s SER 111 N -2.31 4.64 0.16 2.55 1.04 -1.26 -4.83 113.70 113.68 3h87 s SER 111 Ca 0.66 1.79 -0.16 0.00 0.48 0.00 0.00 55.95 58.72 3h87 s SER 111 Cb -0.23 -2.52 0.08 0.00 0.10 0.00 0.00 66.02 63.45 3h87 s SER 111 CO 0.65 -1.95 1.73 0.40 0.98 0.00 0.00 173.24 175.05 3h87 h ILE 112 N -1.06 0.81 -0.63 -1.02 2.04 -1.99 -1.60 117.51 114.05 3h87 h ILE 112 Ca -0.44 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3h87 h ILE 112 Cb 1.23 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3h87 h ILE 112 CO 0.52 0.03 0.27 1.55 0.00 0.00 0.00 178.15 180.53 3h87 h PRO 113 N 0.19 0.92 -0.55 2.37 0.13 -1.99 -1.33 132.00 131.73 3h87 h PRO 113 Ca 0.18 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3h87 h PRO 113 Cb 0.21 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.15 3h87 h PRO 113 CO -0.24 0.73 0.33 -0.44 -0.23 0.00 0.00 178.00 178.16 3h87 h ASP 114 N 0.91 0.66 -0.78 1.44 5.19 -1.81 0.24 116.42 122.27 3h87 h ASP 114 Ca 0.22 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 3h87 h ASP 114 Cb 0.15 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 3h87 h ASP 114 CO -0.02 0.53 0.40 -0.07 -3.12 0.00 0.00 179.24 176.96 3h87 h LEU 115 N 0.74 1.00 -0.29 1.55 3.38 -0.83 -0.57 115.31 120.30 3h87 h LEU 115 Ca 0.20 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3h87 h LEU 115 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3h87 h LEU 115 CO -0.04 0.84 -0.26 -0.07 0.09 0.00 0.00 178.44 179.00 3h87 h LEU 116 N 1.10 0.73 -0.40 1.67 3.38 -0.88 -0.89 115.31 120.02 3h87 h LEU 116 Ca 0.27 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3h87 h LEU 116 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3h87 h LEU 116 CO -0.04 1.04 0.13 0.40 0.09 0.00 0.00 178.44 180.07 3h87 h ILE 117 N 0.44 1.21 -0.54 1.22 5.03 -0.90 -1.52 117.51 122.45 3h87 h ILE 117 Ca 0.05 -0.69 -0.06 0.00 -0.12 0.00 0.00 64.86 64.04 3h87 h ILE 117 Cb 0.82 0.91 -0.02 0.00 -3.03 0.00 0.00 36.82 35.50 3h87 h ILE 117 CO 0.07 0.24 0.09 0.00 -0.68 0.00 0.00 178.15 177.87 3h87 h ALA 118 N 0.98 0.71 -0.27 1.87 0.00 -1.07 -1.49 119.26 119.99 3h87 h ALA 118 Ca 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3h87 h ALA 118 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h87 h ALA 118 CO -0.01 0.45 -0.30 0.00 0.00 0.00 0.00 179.25 179.40 3h87 h ALA 119 N 0.99 0.98 -0.12 0.00 0.00 -1.10 -0.22 119.26 119.78 3h87 h ALA 119 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3h87 h ALA 119 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h87 h ALA 119 CO 0.01 0.60 0.08 1.15 0.00 0.00 0.00 179.25 181.09 3h87 h THR 120 N 0.48 1.03 -0.78 0.00 2.02 -1.03 -1.91 112.91 112.72 3h87 h THR 120 Ca 0.06 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3h87 h THR 120 Cb 0.76 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3h87 h THR 120 CO 0.06 0.03 0.36 0.00 0.37 0.00 0.00 175.52 176.35 3h87 h ALA 121 N 1.04 1.00 0.04 6.16 0.00 -1.04 -1.78 119.26 124.69 3h87 h ALA 121 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h87 h ALA 121 Cb -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3h87 h ALA 121 CO -0.01 0.57 -0.02 1.49 0.00 0.00 0.00 179.25 181.28 3h87 h GLU 122 N 1.10 -0.06 0.00 0.00 4.81 -0.88 -0.97 114.58 118.58 3h87 h GLU 122 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3h87 h GLU 122 Cb 0.13 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3h87 h GLU 122 CO -0.03 -0.01 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.12 3h87 h LEU 123 N -0.08 0.00 -0.58 1.64 3.38 -1.30 -3.22 115.31 115.15 3h87 h LEU 123 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h87 h LEU 123 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h87 h LEU 123 CO 0.01 0.01 -0.63 -1.20 0.09 0.00 0.00 178.44 176.71 3h87 n SER 124 N -2.46 1.54 -1.54 -0.43 7.64 -0.68 -5.00 113.62 112.70 3h87 n SER 124 Ca 0.05 -1.24 -0.08 0.00 1.01 0.00 0.00 58.87 58.61 3h87 n SER 124 Cb 0.46 0.61 0.03 0.00 -1.01 0.00 0.00 64.21 64.29 3h87 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h87 n GLY 125 N 1.44 0.45 3.48 0.23 0.00 -0.47 -5.04 105.19 105.28 3h87 n GLY 125 Ca 0.08 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3h87 n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h87 s LEU 126 N -3.13 2.66 -0.15 0.99 1.43 -0.60 -4.75 118.68 115.14 3h87 s LEU 126 Ca 0.20 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 3h87 s LEU 126 Cb -0.09 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3h87 s LEU 126 CO 0.25 0.20 0.74 -0.89 0.23 0.00 0.00 176.35 176.88 3h87 s THR 127 N -1.07 4.96 -0.02 5.49 2.01 -0.16 -4.48 115.64 122.36 3h87 s THR 127 Ca 0.17 1.46 -0.30 0.00 0.31 0.00 0.00 61.69 63.33 3h87 s THR 127 Cb -0.11 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 3h87 s THR 127 CO 0.08 0.11 1.38 -0.69 -0.69 0.00 0.00 174.62 174.81 3h87 s VAL 128 N 1.74 3.82 -0.26 3.82 1.01 -0.99 -0.70 120.40 128.85 3h87 s VAL 128 Ca 0.35 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.41 3h87 s VAL 128 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3h87 s VAL 128 CO 0.13 -0.02 0.15 -0.22 0.00 0.00 0.00 175.10 175.14 3h87 s LEU 129 N 2.54 3.90 0.24 3.92 2.96 -0.41 -0.38 118.68 131.45 3h87 s LEU 129 Ca 0.63 -0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 54.39 3h87 s LEU 129 Cb -0.30 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 3h87 s LEU 129 CO 0.25 -0.00 0.48 -1.38 -1.32 0.00 0.00 176.35 174.38 3h87 s HIS 130 N 1.45 0.30 -0.47 5.38 -3.43 -0.58 -1.07 115.29 116.87 3h87 s HIS 130 Ca 0.07 -0.66 0.08 0.00 -0.80 0.00 0.00 55.06 53.74 3h87 s HIS 130 Cb -0.15 0.21 0.27 0.00 -1.43 0.00 0.00 32.58 31.48 3h87 s HIS 130 CO 0.07 -0.98 0.63 0.28 -2.00 0.00 0.00 174.74 172.75 3h87 n VAL 131 N -0.37 0.43 -3.28 -5.38 0.31 -1.26 -1.39 118.33 107.39 3h87 n VAL 131 Ca -0.03 -4.51 -0.04 0.00 -0.01 0.00 0.00 64.34 59.75 3h87 n VAL 131 Cb 0.62 -1.77 -0.05 0.00 -0.91 0.00 0.00 33.84 31.73 3h87 n VAL 131 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h87 s ASP 132 N -1.82 -0.39 0.64 4.52 -1.08 -1.26 -4.85 116.67 112.44 3h87 s ASP 132 Ca 0.38 0.49 0.40 0.00 -0.52 0.00 0.00 52.55 53.30 3h87 s ASP 132 Cb 0.19 1.52 2.18 0.00 -1.46 0.00 0.00 42.92 45.35 3h87 s ASP 132 CO -0.08 -0.28 2.23 0.07 0.52 0.00 0.00 175.17 177.62 3h87 h LYS 133 N 8.11 0.00 0.00 4.34 2.10 -2.03 -2.00 116.57 127.10 3h87 h LYS 133 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3h87 h LYS 133 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3h87 h LYS 133 CO 0.26 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 177.27 3h87 h ASP 134 N 0.00 0.00 0.61 7.07 3.32 -2.01 -0.94 116.42 124.47 3h87 h ASP 134 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3h87 h ASP 134 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3h87 h ASP 134 CO 0.00 0.00 -0.28 -0.26 -1.72 0.00 0.00 179.24 176.98 3h87 h PHE 135 N 0.00 0.00 -0.41 4.55 0.04 -1.77 -2.17 116.94 117.18 3h87 h PHE 135 Ca 0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 3h87 h PHE 135 Cb 0.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3h87 h PHE 135 CO 0.00 0.28 -0.20 -0.44 -0.60 0.00 0.00 178.31 177.35 3h87 h ASP 136 N 0.00 0.82 -0.72 2.17 3.32 -1.36 -1.11 116.42 119.54 3h87 h ASP 136 Ca -0.00 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 3h87 h ASP 136 Cb 0.66 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3h87 h ASP 136 CO 0.04 1.01 0.29 0.00 -1.72 0.00 0.00 179.24 178.85 3h87 h ALA 137 N 1.06 0.94 -0.24 3.45 0.00 -1.36 -1.28 119.26 121.82 3h87 h ALA 137 Ca 0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3h87 h ALA 137 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3h87 h ALA 137 CO 0.06 0.56 -0.07 0.82 0.00 0.00 0.00 179.25 180.61 3h87 h ILE 138 N 1.04 1.29 0.00 0.00 2.04 -1.35 -3.09 117.51 117.44 3h87 h ILE 138 Ca 0.24 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3h87 h ILE 138 Cb 0.21 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3h87 h ILE 138 CO -0.02 0.34 -0.07 0.00 0.00 0.00 0.00 178.15 178.40 3h87 h ALA 139 N 0.75 1.15 0.00 1.87 0.00 -1.08 -0.84 119.26 121.12 3h87 h ALA 139 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h87 h ALA 139 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h87 h ALA 139 CO 0.03 0.09 -0.02 0.00 0.00 0.00 0.00 179.25 179.35 3h87 h ALA 140 N 1.93 1.78 0.07 0.00 0.00 -1.14 0.53 119.26 122.43 3h87 h ALA 140 Ca -0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 3h87 h ALA 140 Cb 0.33 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3h87 h ALA 140 CO 0.01 0.03 -1.78 1.28 0.00 0.00 0.00 179.25 178.79 3h87 n LEU 141 N -4.24 2.36 0.05 0.00 7.99 -0.44 -4.68 117.00 118.04 3h87 n LEU 141 Ca -0.03 0.28 0.11 0.00 -0.01 0.00 0.00 56.01 56.36 3h87 n LEU 141 Cb 0.11 -1.05 -0.06 0.00 -0.11 0.00 0.00 43.42 42.30 3h87 n LEU 141 CO 0.32 0.65 -0.27 0.35 -1.51 0.00 0.00 177.39 176.92 3h87 n THR 142 N -3.83 0.33 -1.12 -5.08 -2.24 -0.51 -4.97 114.28 96.86 3h87 n THR 142 Ca -0.33 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 60.92 3h87 n THR 142 Cb 0.91 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 3h87 n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h87 n GLY 143 N 1.24 0.55 3.82 3.38 0.00 0.17 -4.99 105.19 109.35 3h87 n GLY 143 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3h87 n GLY 143 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h87 s GLN 144 N -1.84 2.86 0.14 1.61 -2.07 -1.26 -5.00 119.66 114.10 3h87 s GLN 144 Ca 0.00 0.95 -0.30 0.00 -1.82 0.00 0.00 55.36 54.19 3h87 s GLN 144 Cb 0.00 -1.98 -0.07 0.00 -1.09 0.00 0.00 33.01 29.87 3h87 s GLN 144 CO 0.00 -1.15 1.03 0.21 -1.32 0.00 0.00 175.29 174.06 3h87 s LYS 145 N -5.05 4.64 0.06 9.60 2.20 -1.26 -4.88 119.74 125.05 3h87 s LYS 145 Ca 0.58 1.58 0.01 0.00 -0.36 0.00 0.00 55.97 57.79 3h87 s LYS 145 Cb -0.14 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3h87 s LYS 145 CO 0.55 0.13 -0.06 0.95 -0.36 0.00 0.00 175.35 176.56 3h87 s THR 146 N -0.06 0.50 -0.05 3.43 -4.23 -1.26 -2.34 115.64 111.63 3h87 s THR 146 Ca 0.48 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.56 3h87 s THR 146 Cb -0.26 -1.02 0.03 0.00 1.34 0.00 0.00 72.50 72.59 3h87 s THR 146 CO 0.32 -0.63 0.08 -0.70 -0.54 0.00 0.00 174.62 173.15 3h87 s GLU 147 N -2.57 -0.03 -0.16 3.99 2.12 0.48 -4.90 118.70 117.64 3h87 s GLU 147 Ca -0.02 0.36 -0.23 0.00 0.36 0.00 0.00 54.97 55.44 3h87 s GLU 147 Cb -0.03 -0.36 -0.02 0.00 0.26 0.00 0.00 34.13 33.98 3h87 s GLU 147 CO -0.03 -0.26 0.72 0.50 -0.54 0.00 0.00 175.26 175.65 3h87 s ARG 148 N 1.78 4.30 0.28 4.30 3.52 -1.26 -1.53 118.95 130.34 3h87 s ARG 148 Ca -0.01 0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 56.11 3h87 s ARG 148 Cb -0.12 -3.54 -0.11 0.00 -1.56 0.00 0.00 34.95 29.61 3h87 s ARG 148 CO -0.04 -0.20 1.60 -1.17 -0.81 0.00 0.00 175.30 174.69 3h87 s LEU 149 N 1.72 4.35 0.31 -0.88 2.96 -0.49 -4.93 118.68 121.73 3h87 s LEU 149 Ca 0.34 2.93 -0.29 0.00 -0.22 0.00 0.00 54.13 56.90 3h87 s LEU 149 Cb -0.16 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 42.80 3h87 s LEU 149 CO 0.13 -0.92 1.22 0.42 -1.32 0.00 0.00 176.35 175.88 3h87 s THR 150 N 0.13 3.05 0.20 3.68 -4.23 -1.26 -4.93 115.64 112.27 3h87 s THR 150 Ca 0.64 1.06 0.05 0.00 -1.18 0.00 0.00 61.69 62.26 3h87 s THR 150 Cb -0.48 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 69.66 3h87 s THR 150 CO 0.46 0.25 0.26 -1.38 -0.54 0.00 0.00 174.62 173.67 3h87 s HIS 151 N -1.16 3.33 0.02 3.99 -3.43 -1.26 -4.23 115.29 112.56 3h87 s HIS 151 Ca 0.47 0.01 -0.30 0.00 -0.80 0.00 0.00 55.06 54.44 3h87 s HIS 151 Cb -0.36 -1.56 -0.05 0.00 -1.43 0.00 0.00 32.58 29.18 3h87 s HIS 151 CO 0.48 0.50 1.21 0.50 -2.00 0.00 0.00 174.74 175.42 3h87 s ARG 152 N -3.53 4.40 0.23 -0.38 6.06 -1.22 -4.62 118.95 119.88 3h87 s ARG 152 Ca 0.33 1.75 -0.31 0.00 -2.50 0.00 0.00 55.73 55.00 3h87 s ARG 152 Cb -0.10 -3.44 -0.11 0.00 0.06 0.00 0.00 34.95 31.37 3h87 s ARG 152 CO 0.27 -0.34 1.55 -1.25 -2.50 0.00 0.00 175.30 173.03 3h87 s PRO 153 N 1.55 4.20 0.00 5.12 0.04 -1.26 -5.09 135.00 139.56 3h87 s PRO 153 Ca 0.58 2.42 0.22 0.00 0.04 0.00 0.00 61.00 64.26 3h87 s PRO 153 Cb -0.28 -3.10 1.29 0.00 0.04 0.00 0.00 34.50 32.46 3h87 s PRO 153 CO 0.27 -0.57 1.67 -0.35 0.04 0.00 0.00 177.00 178.06