#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 n ARG 2 N 0.00 1.61 -2.67 0.00 1.74 -1.26 -4.95 116.66 111.13 1m90 n ARG 2 Ca 0.00 0.57 -0.31 0.00 -0.77 0.00 0.00 57.85 57.34 1m90 n ARG 2 Cb 0.00 -2.04 -0.03 0.00 -1.02 0.00 0.00 32.46 29.36 1m90 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1m90 s SER 3 N -0.51 6.54 0.21 0.55 1.04 -1.26 -4.94 113.70 115.33 1m90 s SER 3 Ca 0.58 1.27 -0.09 0.00 0.48 0.00 0.00 55.95 58.20 1m90 s SER 3 Cb -0.63 -2.38 0.24 0.00 0.10 0.00 0.00 66.02 63.35 1m90 s SER 3 CO 0.60 -0.48 1.82 0.00 0.98 0.00 0.00 173.24 176.16 1m90 h ALA 4 N 1.07 0.94 -0.79 5.32 0.00 -2.03 -1.80 119.26 121.98 1m90 h ALA 4 Ca -0.47 0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.63 1m90 h ALA 4 Cb 1.19 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 1m90 h ALA 4 CO 0.63 0.11 0.11 1.88 0.00 0.00 0.00 179.25 181.98 1m90 h TYR 5 N 0.76 0.14 -0.50 0.00 0.99 -2.01 0.30 116.97 116.64 1m90 h TYR 5 Ca 0.31 0.05 0.15 0.00 2.00 0.00 0.00 58.73 61.23 1m90 h TYR 5 Cb 0.15 0.06 -0.02 0.00 1.00 0.00 0.00 36.73 37.93 1m90 h TYR 5 CO -0.06 -0.20 0.65 0.66 -0.00 0.00 0.00 178.16 179.21 1m90 h SER 6 N 0.17 0.00 0.54 3.88 4.64 -1.70 0.27 113.55 121.35 1m90 h SER 6 Ca 0.45 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.52 1m90 h SER 6 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1m90 h SER 6 CO -0.63 0.00 -1.13 1.88 -0.87 0.00 0.00 176.83 176.08 1m90 h TYR 7 N 0.00 0.52 -0.29 4.77 -1.99 -0.50 -1.79 116.97 117.69 1m90 h TYR 7 Ca 0.24 -0.34 -0.02 0.00 2.00 0.00 0.00 58.73 60.60 1m90 h TYR 7 Cb 1.53 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 40.21 1m90 h TYR 7 CO 0.00 1.23 0.09 0.82 -0.00 0.00 0.00 178.16 180.30 1m90 h ILE 8 N 0.12 1.20 0.27 -2.88 2.04 -0.53 -1.88 117.51 115.84 1m90 h ILE 8 Ca -0.11 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1m90 h ILE 8 Cb 1.83 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1m90 h ILE 8 CO 0.19 0.21 -0.30 -0.09 0.00 0.00 0.00 178.15 178.16 1m90 h ARG 9 N 0.31 -0.59 -1.00 2.37 2.43 -1.48 -1.91 114.38 114.52 1m90 h ARG 9 Ca 0.09 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.48 1m90 h ARG 9 Cb 0.24 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 1m90 h ARG 9 CO -0.00 -0.39 0.62 1.49 -1.51 0.00 0.00 179.97 180.17 1m90 h GLU 10 N -0.61 0.78 -0.48 0.20 4.57 -1.23 -0.70 114.58 117.10 1m90 h GLU 10 Ca -0.01 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1m90 h GLU 10 Cb 0.57 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1m90 h GLU 10 CO -0.08 0.51 0.08 0.00 -1.18 0.00 0.00 179.01 178.34 1m90 h ALA 11 N 1.62 0.64 0.00 2.92 0.00 -0.86 -2.91 119.26 120.67 1m90 h ALA 11 Ca 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1m90 h ALA 11 Cb 0.82 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1m90 h ALA 11 CO -0.35 0.36 0.00 0.91 0.00 0.00 0.00 179.25 180.18 1m90 n TRP 12 N -4.44 0.00 -0.00 0.00 7.02 -0.30 -2.90 117.44 116.82 1m90 n TRP 12 Ca 0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.37 1m90 n TRP 12 Cb 0.25 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 1m90 n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1m90 h LYS 13 N 0.00 0.62 -2.52 -0.99 1.57 -1.26 -3.35 116.57 110.64 1m90 h LYS 13 Ca 0.00 -0.45 -0.60 0.00 -1.87 0.00 0.00 60.65 57.73 1m90 h LYS 13 Cb 0.00 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 31.98 1m90 h LYS 13 CO 0.00 1.07 -0.74 0.54 -0.57 0.00 0.00 179.45 179.75 1m90 n ARG 14 N -3.92 1.53 0.00 3.15 1.74 -1.14 -4.97 116.66 113.04 1m90 n ARG 14 Ca -0.05 -4.08 0.00 0.00 -0.77 0.00 0.00 57.85 52.95 1m90 n ARG 14 Cb 0.67 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1m90 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1m90 n PRO 15 N 1.73 0.00 -0.27 5.56 -0.04 -1.25 -1.58 135.00 139.14 1m90 n PRO 15 Ca 0.25 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.95 1m90 n PRO 15 Cb 0.42 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.57 1m90 n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1m90 n LYS 16 N -1.17 2.75 -4.48 0.54 5.02 -1.26 -3.84 118.16 115.72 1m90 n LYS 16 Ca 0.00 -2.41 -0.25 0.00 -2.02 0.00 0.00 58.31 53.63 1m90 n LYS 16 Cb 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.38 1m90 n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1m90 s GLU 17 N -2.01 1.75 1.28 1.97 0.41 -0.61 -4.81 118.70 116.67 1m90 s GLU 17 Ca 0.31 -1.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.06 1m90 s GLU 17 Cb 0.23 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1m90 s GLU 17 CO 0.10 0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.55 1m90 n GLY 18 N -0.69 1.16 0.16 -1.39 0.00 -1.26 -2.15 105.19 101.02 1m90 n GLY 18 Ca -0.05 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 1m90 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1m90 h GLN 19 N 0.00 0.49 -0.36 1.61 4.20 -1.98 -2.54 115.11 116.52 1m90 h GLN 19 Ca 0.00 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.75 1m90 h GLN 19 Cb 0.00 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1m90 h GLN 19 CO 0.00 0.32 0.25 0.97 -0.67 0.00 0.00 178.83 179.70 1m90 h ILE 20 N 0.50 0.91 -0.65 2.54 2.10 -1.91 0.07 117.51 121.07 1m90 h ILE 20 Ca 0.14 -0.06 -0.00 0.00 1.08 0.00 0.00 64.86 66.01 1m90 h ILE 20 Cb -0.06 0.71 -0.03 0.00 -1.09 0.00 0.00 36.82 36.35 1m90 h ILE 20 CO -0.03 0.03 0.40 0.00 -1.08 0.00 0.00 178.15 177.47 1m90 h ALA 21 N 1.81 0.83 -0.15 0.18 0.00 -0.98 -0.92 119.26 120.03 1m90 h ALA 21 Ca 0.16 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1m90 h ALA 21 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1m90 h ALA 21 CO -0.03 0.31 -0.55 1.49 0.00 0.00 0.00 179.25 180.47 1m90 h GLU 22 N 0.89 0.46 -0.28 0.00 4.81 -1.02 -2.33 114.58 117.10 1m90 h GLU 22 Ca 0.23 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1m90 h GLU 22 Cb -0.03 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1m90 h GLU 22 CO -0.04 0.89 0.16 -0.07 -0.73 0.00 0.00 179.01 179.21 1m90 h LEU 23 N 0.35 0.35 -0.35 1.64 3.38 -0.79 -1.39 115.31 118.50 1m90 h LEU 23 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1m90 h LEU 23 Cb 1.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1m90 h LEU 23 CO 0.10 0.33 0.22 0.24 0.09 0.00 0.00 178.44 179.42 1m90 h MET 24 N 0.35 0.46 -0.74 1.13 2.86 -1.13 0.37 114.93 118.23 1m90 h MET 24 Ca 0.10 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 1m90 h MET 24 Cb 0.05 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 1m90 h MET 24 CO -0.02 0.31 0.48 2.35 1.06 0.00 0.00 176.91 181.10 1m90 h TRP 25 N 0.46 0.75 0.13 -0.22 7.01 -1.22 -1.45 115.95 121.42 1m90 h TRP 25 Ca 0.13 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1m90 h TRP 25 Cb -0.04 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 1m90 h TRP 25 CO -0.05 0.38 -0.06 0.45 -2.79 0.00 0.00 178.44 176.36 1m90 h HIS 26 N 0.72 -0.17 -0.52 2.65 3.86 -0.15 -3.37 115.15 118.17 1m90 h HIS 26 Ca 0.33 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.63 1m90 h HIS 26 Cb 0.33 0.06 -0.11 0.00 1.06 0.00 0.00 27.41 28.75 1m90 h HIS 26 CO -0.00 -0.10 -0.28 0.00 0.86 0.00 0.00 177.93 178.41 1m90 h ARG 27 N -0.32 -0.14 -1.08 2.45 3.08 -0.17 -2.20 114.38 115.99 1m90 h ARG 27 Ca -0.02 0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.34 1m90 h ARG 27 Cb 0.14 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.11 1m90 h ARG 27 CO 0.03 -0.10 0.68 0.52 -1.07 0.00 0.00 179.97 180.04 1m90 h MET 28 N -0.15 0.35 -0.68 0.04 2.86 -1.46 0.43 114.93 116.32 1m90 h MET 28 Ca 0.23 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 1m90 h MET 28 Cb 0.52 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.03 1m90 h MET 28 CO -0.61 0.23 0.31 1.96 1.06 0.00 0.00 176.91 179.86 1m90 h GLN 29 N 0.36 0.51 0.06 1.72 4.20 -1.55 0.74 115.11 121.15 1m90 h GLN 29 Ca 0.65 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 59.07 1m90 h GLN 29 Cb 1.66 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 29.33 1m90 h GLN 29 CO -0.36 0.34 -1.08 0.93 -0.67 0.00 0.00 178.83 177.99 1m90 h GLU 30 N 0.53 0.42 0.51 1.46 5.08 -0.39 -3.27 114.58 118.92 1m90 h GLU 30 Ca 0.34 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1m90 h GLU 30 Cb 0.39 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1m90 h GLU 30 CO -0.29 1.19 -0.28 -1.49 -1.00 0.00 0.00 179.01 177.14 1m90 h TRP 31 N 0.20 -0.74 0.00 4.33 6.55 0.41 -1.58 115.95 125.12 1m90 h TRP 31 Ca -0.12 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.71 1m90 h TRP 31 Cb 1.75 0.25 0.00 0.00 -0.86 0.00 0.00 29.16 30.30 1m90 h TRP 31 CO 0.07 -0.44 0.50 0.00 -1.05 0.00 0.00 178.44 177.52 1m90 h ARG 32 N -0.74 0.00 -0.00 0.49 3.08 0.36 1.49 114.38 119.06 1m90 h ARG 32 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1m90 h ARG 32 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1m90 h ARG 32 CO 0.08 0.00 -0.78 0.09 -1.07 0.00 0.00 179.97 178.29 1m90 n ASN 33 N -2.65 1.14 -4.28 7.04 3.02 -0.65 -4.95 115.26 113.93 1m90 n ASN 33 Ca -0.01 -1.00 -0.28 0.00 -0.03 0.00 0.00 54.58 53.26 1m90 n ASN 33 Cb 0.53 0.74 0.16 0.00 -0.61 0.00 0.00 39.78 40.61 1m90 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1m90 s GLU 34 N -2.87 0.92 0.36 3.52 2.02 0.51 -5.10 118.70 118.07 1m90 s GLU 34 Ca 0.11 -0.57 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 1m90 s GLU 34 Cb 0.17 -1.97 0.08 0.00 0.10 0.00 0.00 34.13 32.51 1m90 s GLU 34 CO 0.77 -2.16 0.49 -0.35 0.02 0.00 0.00 175.26 174.03 1m90 n PRO 35 N -3.53 -0.30 -0.20 0.39 -0.04 -1.26 -5.00 135.00 125.06 1m90 n PRO 35 Ca 0.15 -0.88 -0.09 0.00 -0.04 0.00 0.00 63.50 62.64 1m90 n PRO 35 Cb 0.60 -0.47 0.04 0.00 -0.04 0.00 0.00 33.50 33.63 1m90 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m90 h ALA 36 N -1.56 0.86 -3.31 0.55 0.00 -1.92 -3.42 119.26 110.46 1m90 h ALA 36 Ca -0.16 -0.31 -0.52 0.00 0.00 0.00 0.00 54.91 53.92 1m90 h ALA 36 Cb 0.47 -0.22 -0.39 0.00 0.00 0.00 0.00 17.79 17.66 1m90 h ALA 36 CO 0.13 0.66 -0.78 0.08 0.00 0.00 0.00 179.25 179.34 1m90 s VAL 37 N -5.01 0.77 -0.17 0.00 1.01 -1.26 -1.44 120.40 114.30 1m90 s VAL 37 Ca -0.11 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1m90 s VAL 37 Cb 0.14 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1m90 s VAL 37 CO 0.85 0.00 -0.14 -0.69 0.00 0.00 0.00 175.10 175.13 1m90 s VAL 38 N 1.77 1.68 0.21 2.92 1.01 -0.40 -4.97 120.40 122.62 1m90 s VAL 38 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1m90 s VAL 38 Cb -0.16 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1m90 s VAL 38 CO -0.07 0.39 1.39 -0.60 0.00 0.00 0.00 175.10 176.20 1m90 s ARG 39 N 1.42 4.32 -0.02 2.72 3.52 -1.26 -1.25 118.95 128.40 1m90 s ARG 39 Ca 0.03 2.18 0.07 0.00 -0.13 0.00 0.00 55.73 57.88 1m90 s ARG 39 Cb -0.14 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1m90 s ARG 39 CO -0.10 -0.36 -0.22 0.96 -0.81 0.00 0.00 175.30 174.76 1m90 s ILE 40 N 0.23 1.77 0.32 4.11 -4.36 -0.80 -4.93 121.20 117.54 1m90 s ILE 40 Ca 0.59 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 60.04 1m90 s ILE 40 Cb -0.39 -1.47 0.21 0.00 1.25 0.00 0.00 42.46 42.05 1m90 s ILE 40 CO 0.39 0.50 1.92 -0.33 0.24 0.00 0.00 174.94 177.66 1m90 h GLU 41 N 5.64 0.80 -4.64 0.37 5.08 -1.95 -3.39 114.58 116.50 1m90 h GLU 41 Ca -0.39 -0.11 -0.35 0.00 -1.00 0.00 0.00 59.36 57.51 1m90 h GLU 41 Cb 1.14 -0.15 -0.26 0.00 0.50 0.00 0.00 28.75 29.97 1m90 h GLU 41 CO 0.48 0.64 -0.76 1.03 -1.00 0.00 0.00 179.01 179.39 1m90 s ARG 42 N -5.43 0.61 0.20 2.33 1.81 -1.26 -4.96 118.95 112.25 1m90 s ARG 42 Ca -0.10 -0.44 -0.31 0.00 -1.72 0.00 0.00 55.73 53.16 1m90 s ARG 42 Cb 0.16 -0.54 -0.10 0.00 -0.45 0.00 0.00 34.95 34.02 1m90 s ARG 42 CO 0.78 0.14 1.53 -2.14 -0.68 0.00 0.00 175.30 174.93 1m90 s PRO 43 N -0.64 4.22 0.55 3.54 0.02 -1.26 -4.91 135.00 136.52 1m90 s PRO 43 Ca -0.00 2.37 0.31 0.00 0.02 0.00 0.00 61.00 63.70 1m90 s PRO 43 Cb -0.05 -3.13 1.59 0.00 0.02 0.00 0.00 34.50 32.93 1m90 s PRO 43 CO 0.00 -0.56 2.10 1.15 -0.33 0.00 0.00 177.00 179.37 1m90 h THR 44 N 3.81 0.37 -2.56 0.99 2.02 -2.00 -3.28 112.91 112.26 1m90 h THR 44 Ca -0.44 -0.45 -0.60 0.00 0.77 0.00 0.00 66.41 65.69 1m90 h THR 44 Cb 1.21 1.32 -0.41 0.00 -1.74 0.00 0.00 68.15 68.54 1m90 h THR 44 CO 0.86 0.08 -0.75 0.54 0.37 0.00 0.00 175.52 176.62 1m90 n ARG 45 N -3.45 1.41 -0.28 6.66 1.74 -1.26 -4.99 116.66 116.48 1m90 n ARG 45 Ca -0.02 -4.02 0.10 0.00 -0.77 0.00 0.00 57.85 53.15 1m90 n ARG 45 Cb 0.22 -1.98 0.25 0.00 -1.02 0.00 0.00 32.46 29.94 1m90 n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1m90 h LEU 46 N 5.00 -0.06 -0.32 0.55 6.46 -1.98 -0.78 115.31 124.18 1m90 h LEU 46 Ca 0.18 0.19 0.01 0.00 -0.12 0.00 0.00 57.88 58.14 1m90 h LEU 46 Cb 0.79 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 1m90 h LEU 46 CO 0.62 -0.14 0.20 -2.24 -0.62 0.00 0.00 178.44 176.26 1m90 h ASP 47 N 0.20 0.33 0.17 1.25 2.03 -1.94 -1.67 116.42 116.79 1m90 h ASP 47 Ca 0.51 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1m90 h ASP 47 Cb 0.98 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.39 1m90 h ASP 47 CO -0.64 0.24 -0.15 0.03 -1.03 0.00 0.00 179.24 177.69 1m90 h ARG 48 N 0.41 -0.33 0.32 4.15 2.47 -1.58 0.22 114.38 120.05 1m90 h ARG 48 Ca 0.12 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1m90 h ARG 48 Cb -0.03 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 1m90 h ARG 48 CO -0.04 -0.22 -0.49 0.00 0.56 0.00 0.00 179.97 179.78 1m90 h ALA 49 N 0.46 -1.00 -0.95 0.04 0.00 -1.17 0.34 119.26 116.97 1m90 h ALA 49 Ca -0.00 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.88 1m90 h ALA 49 Cb 0.31 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 1m90 h ALA 49 CO -0.03 -1.12 0.58 0.00 0.00 0.00 0.00 179.25 178.69 1m90 h ARG 50 N -0.86 0.90 -0.57 0.00 3.08 -1.26 0.14 114.38 115.81 1m90 h ARG 50 Ca -0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1m90 h ARG 50 Cb 0.80 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1m90 h ARG 50 CO -0.16 0.60 0.32 1.03 -1.07 0.00 0.00 179.97 180.69 1m90 h SER 51 N 0.93 0.69 1.60 7.04 0.87 -0.37 -2.36 113.55 121.95 1m90 h SER 51 Ca 0.47 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1m90 h SER 51 Cb 0.46 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1m90 h SER 51 CO -0.26 0.55 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.50 1m90 h LEU 52 N 0.79 0.00 0.00 2.23 3.38 0.14 -3.47 115.31 118.37 1m90 h LEU 52 Ca 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1m90 h LEU 52 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1m90 h LEU 52 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1m90 n GLY 53 N 1.26 0.48 3.76 0.83 0.00 -0.50 -4.83 105.19 106.19 1m90 n GLY 53 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1m90 n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1m90 s TYR 54 N -0.95 2.55 -0.03 1.61 5.04 -0.27 -4.94 117.35 120.37 1m90 s TYR 54 Ca 0.00 1.34 -0.04 0.00 -2.44 0.00 0.00 57.07 55.93 1m90 s TYR 54 Cb 0.00 -3.79 0.01 0.00 0.35 0.00 0.00 41.96 38.52 1m90 s TYR 54 CO 0.00 -2.60 0.11 0.15 -1.34 0.00 0.00 175.55 171.87 1m90 s LYS 55 N -2.49 0.20 -1.11 4.97 1.02 -1.26 -4.26 119.74 116.81 1m90 s LYS 55 Ca 0.62 0.02 -0.21 0.00 0.02 0.00 0.00 55.97 56.42 1m90 s LYS 55 Cb -0.41 0.09 0.04 0.00 -0.52 0.00 0.00 37.83 37.04 1m90 s LYS 55 CO 0.51 -0.03 1.61 0.00 -0.92 0.00 0.00 175.35 176.52 1m90 s ALA 56 N -0.26 2.79 0.10 5.17 0.00 -1.26 -4.83 121.76 123.46 1m90 s ALA 56 Ca -0.03 -2.42 -0.12 0.00 0.00 0.00 0.00 51.96 49.39 1m90 s ALA 56 Cb -0.02 -4.58 0.02 0.00 0.00 0.00 0.00 23.12 18.53 1m90 s ALA 56 CO 0.00 -3.69 0.29 0.21 0.00 0.00 0.00 175.76 172.57 1m90 s LYS 57 N 4.96 0.93 0.24 0.00 2.20 -1.26 -5.13 119.74 121.68 1m90 s LYS 57 Ca 0.52 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1m90 s LYS 57 Cb 0.01 0.39 -0.09 0.00 -1.51 0.00 0.00 37.83 36.63 1m90 s LYS 57 CO -0.02 -0.33 1.32 -0.65 -0.36 0.00 0.00 175.35 175.31 1m90 s GLN 58 N -3.71 4.38 0.00 4.03 -0.21 -1.26 -2.75 119.66 120.14 1m90 s GLN 58 Ca 0.03 2.12 0.00 0.00 0.02 0.00 0.00 55.36 57.53 1m90 s GLN 58 Cb 0.03 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.89 1m90 s GLN 58 CO -0.11 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.24 1m90 n GLY 59 N 1.91 0.75 3.29 3.09 0.00 -1.26 -4.61 105.19 108.36 1m90 n GLY 59 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1m90 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1m90 s ILE 60 N -2.28 3.28 0.09 -0.61 1.01 -1.11 -0.52 121.20 121.07 1m90 s ILE 60 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 60.65 60.13 1m90 s ILE 60 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1m90 s ILE 60 CO 0.00 0.36 -0.25 -0.63 0.00 0.00 0.00 174.94 174.43 1m90 s ILE 61 N 1.45 2.37 0.05 2.92 1.09 -0.40 -4.86 121.20 123.82 1m90 s ILE 61 Ca 0.05 -1.56 0.06 0.00 -1.10 0.00 0.00 60.65 58.10 1m90 s ILE 61 Cb -0.15 -2.01 -0.02 0.00 -1.06 0.00 0.00 42.46 39.21 1m90 s ILE 61 CO -0.03 0.20 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.14 1m90 s VAL 62 N -0.99 1.39 -0.18 2.92 1.01 -1.26 0.40 120.40 123.70 1m90 s VAL 62 Ca 0.14 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1m90 s VAL 62 Cb -0.10 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.09 1m90 s VAL 62 CO 0.05 0.07 0.46 -0.69 0.00 0.00 0.00 175.10 174.99 1m90 s VAL 63 N -0.88 -0.02 -0.04 2.92 1.01 0.18 -1.90 120.40 121.67 1m90 s VAL 63 Ca 0.04 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1m90 s VAL 63 Cb -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1m90 s VAL 63 CO 0.02 0.02 0.57 -0.60 0.00 0.00 0.00 175.10 175.11 1m90 s ARG 64 N 1.11 4.31 -0.07 2.72 3.52 -0.38 0.21 118.95 130.37 1m90 s ARG 64 Ca -0.07 0.66 0.04 0.00 -0.13 0.00 0.00 55.73 56.23 1m90 s ARG 64 Cb -0.07 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1m90 s ARG 64 CO -0.10 0.30 -0.18 0.08 -0.81 0.00 0.00 175.30 174.59 1m90 s VAL 65 N 0.07 1.60 -0.13 7.11 1.01 0.22 -1.27 120.40 128.99 1m90 s VAL 65 Ca 0.30 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1m90 s VAL 65 Cb -0.17 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1m90 s VAL 65 CO 0.15 0.46 0.21 0.00 0.00 0.00 0.00 175.10 175.92 1m90 s ALA 66 N 0.32 3.75 0.01 5.51 0.00 -0.52 -2.29 121.76 128.53 1m90 s ALA 66 Ca -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1m90 s ALA 66 Cb -0.15 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1m90 s ALA 66 CO 0.05 0.38 -0.07 0.42 0.00 0.00 0.00 175.76 176.54 1m90 s ILE 67 N -0.38 0.52 0.53 0.00 -1.09 -0.68 -4.90 121.20 115.20 1m90 s ILE 67 Ca 0.15 -0.49 -0.21 0.00 -2.23 0.00 0.00 60.65 57.87 1m90 s ILE 67 Cb -0.13 -0.48 -0.06 0.00 -1.58 0.00 0.00 42.46 40.22 1m90 s ILE 67 CO 0.04 0.00 1.18 0.00 -1.23 0.00 0.00 174.94 174.93 1m90 s ARG 68 N -0.54 3.38 0.61 2.79 3.03 -1.26 -1.24 118.95 125.72 1m90 s ARG 68 Ca -0.01 1.76 -0.06 0.00 2.03 0.00 0.00 55.73 59.46 1m90 s ARG 68 Cb -0.04 -2.14 0.02 0.00 -1.03 0.00 0.00 34.95 31.76 1m90 s ARG 68 CO 0.00 -0.86 0.91 0.15 -1.13 0.00 0.00 175.30 174.37 1m90 s LYS 69 N -3.07 2.78 0.00 3.89 1.02 0.16 -4.83 119.74 119.69 1m90 s LYS 69 Ca 0.71 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1m90 s LYS 69 Cb -0.28 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1m90 s LYS 69 CO 0.32 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 1m90 n GLY 70 N -2.63 -3.79 0.09 -3.33 0.00 -1.26 -5.02 105.19 89.25 1m90 n GLY 70 Ca 0.05 -2.14 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 1m90 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1m90 n SER 71 N 0.00 -0.83 -4.77 1.61 3.41 -1.26 -4.95 113.62 106.83 1m90 n SER 71 Ca 0.00 -0.61 -0.39 0.00 -0.26 0.00 0.00 58.87 57.61 1m90 n SER 71 Cb 0.00 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1m90 n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1m90 s SER 72 N -1.48 6.48 -0.83 4.04 0.15 -1.05 -4.89 113.70 116.11 1m90 s SER 72 Ca 0.02 2.55 -0.19 0.00 0.70 0.00 0.00 55.95 59.03 1m90 s SER 72 Cb -0.00 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.80 1m90 s SER 72 CO 0.01 -0.73 1.00 -0.13 1.20 0.00 0.00 173.24 174.60 1m90 s ARG 73 N -2.16 3.44 -0.03 5.44 3.00 -1.26 -4.96 118.95 122.42 1m90 s ARG 73 Ca 0.55 -1.63 0.04 0.00 0.00 0.00 0.00 55.73 54.69 1m90 s ARG 73 Cb -0.36 -4.66 -0.03 0.00 0.00 0.00 0.00 34.95 29.91 1m90 s ARG 73 CO 0.46 -1.69 -0.16 0.50 0.00 0.00 0.00 175.30 174.41 1m90 s ARG 74 N 2.61 2.41 0.06 3.54 3.52 -1.26 -5.11 118.95 124.72 1m90 s ARG 74 Ca 0.26 -0.76 -0.22 0.00 -0.13 0.00 0.00 55.73 54.88 1m90 s ARG 74 Cb -0.10 -2.33 -0.06 0.00 -1.56 0.00 0.00 34.95 30.90 1m90 s ARG 74 CO -0.04 0.61 0.67 0.99 -0.81 0.00 0.00 175.30 176.71 1m90 s THR 75 N -0.76 4.71 0.68 4.11 2.01 -1.26 -4.97 115.64 120.16 1m90 s THR 75 Ca 0.12 1.43 -0.14 0.00 0.31 0.00 0.00 61.69 63.41 1m90 s THR 75 Cb -0.11 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1m90 s THR 75 CO 0.01 0.46 1.10 -0.60 -0.69 0.00 0.00 174.62 174.90 1m90 s ARG 76 N -0.60 2.72 0.50 4.92 3.52 -1.26 -4.98 118.95 123.77 1m90 s ARG 76 Ca 0.33 1.29 -0.23 0.00 -0.13 0.00 0.00 55.73 56.99 1m90 s ARG 76 Cb -0.20 -1.95 -0.06 0.00 -1.56 0.00 0.00 34.95 31.18 1m90 s ARG 76 CO 0.21 -1.30 1.33 -0.59 -0.81 0.00 0.00 175.30 174.14 1m90 s PHE 77 N -2.54 2.48 -0.59 5.12 -0.12 -1.26 -4.96 117.98 116.10 1m90 s PHE 77 Ca 0.65 1.39 0.09 0.00 -0.05 0.00 0.00 56.93 59.01 1m90 s PHE 77 Cb -0.19 -3.72 0.26 0.00 -0.63 0.00 0.00 43.02 38.74 1m90 s PHE 77 CO 0.46 -2.56 1.21 0.09 -0.05 0.00 0.00 175.22 174.37 1m90 n ASN 78 N -0.68 2.80 -1.59 1.98 4.13 -1.26 -5.02 115.26 115.61 1m90 n ASN 78 Ca 0.08 -2.16 -0.04 0.00 1.68 0.00 0.00 54.58 54.14 1m90 n ASN 78 Cb 0.45 -0.22 -0.01 0.00 -1.54 0.00 0.00 39.78 38.46 1m90 n ASN 78 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1m90 n LYS 79 N 0.09 0.24 -1.80 3.52 4.76 -1.26 -5.14 118.16 118.56 1m90 n LYS 79 Ca 0.10 -0.81 -0.41 0.00 -2.87 0.00 0.00 58.31 54.31 1m90 n LYS 79 Cb 0.45 0.82 -0.02 0.00 -1.84 0.00 0.00 35.03 34.44 1m90 n LYS 79 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1m90 s GLY 80 N -1.65 2.17 -0.12 0.72 0.00 -1.26 -5.03 107.32 102.16 1m90 s GLY 80 Ca 0.08 1.55 -0.11 0.00 0.00 0.00 0.00 44.72 46.23 1m90 s GLY 80 CO 0.06 2.51 0.32 0.50 0.00 0.00 0.00 173.10 176.49 1m90 s ARG 81 N -0.56 0.39 0.50 2.90 3.00 -1.26 -5.13 118.95 118.78 1m90 s ARG 81 Ca 0.62 0.42 -0.19 0.00 0.00 0.00 0.00 55.73 56.59 1m90 s ARG 81 Cb -0.47 0.19 -0.08 0.00 0.00 0.00 0.00 34.95 34.59 1m90 s ARG 81 CO 0.48 -0.05 1.01 -0.98 0.00 0.00 0.00 175.30 175.76 1m90 s ARG 82 N 0.12 3.85 0.26 3.54 1.70 -1.26 -4.80 118.95 122.36 1m90 s ARG 82 Ca -0.00 1.18 -0.04 0.00 -0.47 0.00 0.00 55.73 56.40 1m90 s ARG 82 Cb -0.02 -2.11 0.52 0.00 -0.57 0.00 0.00 34.95 32.77 1m90 s ARG 82 CO 0.01 -0.37 1.42 -1.13 -1.08 0.00 0.00 175.30 174.15 1m90 n SER 83 N -1.22 -0.24 -0.37 -2.89 3.41 -1.26 0.26 113.62 111.30 1m90 n SER 83 Ca 0.08 1.55 0.30 0.00 -0.26 0.00 0.00 58.87 60.55 1m90 n SER 83 Cb 0.53 -0.51 0.62 0.00 -0.26 0.00 0.00 64.21 64.59 1m90 n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1m90 h LYS 84 N 0.00 0.20 -0.48 4.33 3.11 -2.04 -0.91 116.57 120.78 1m90 h LYS 84 Ca 0.48 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.31 1m90 h LYS 84 Cb 0.85 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1m90 h LYS 84 CO -0.90 0.13 0.00 0.54 -2.81 0.00 0.00 179.45 176.41 1m90 n ARG 85 N -4.50 2.59 -0.04 1.90 5.12 0.14 -4.42 116.66 117.45 1m90 n ARG 85 Ca 0.29 -2.27 0.10 0.00 -1.93 0.00 0.00 57.85 54.04 1m90 n ARG 85 Cb 1.15 -1.43 0.46 0.00 -1.16 0.00 0.00 32.46 31.49 1m90 n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1m90 n MET 86 N 1.14 1.37 -1.78 5.56 2.81 -0.34 -4.90 117.12 120.97 1m90 n MET 86 Ca 0.18 -0.55 -0.37 0.00 -1.81 0.00 0.00 57.70 55.14 1m90 n MET 86 Cb 0.52 -1.34 0.06 0.00 -0.71 0.00 0.00 33.22 31.75 1m90 n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1m90 s MET 87 N -1.90 2.63 0.33 0.03 0.00 -1.26 -4.83 119.30 114.30 1m90 s MET 87 Ca 0.30 2.04 0.00 0.00 0.00 0.00 0.00 55.69 58.03 1m90 s MET 87 Cb 0.15 -1.87 0.00 0.00 0.00 0.00 0.00 34.83 33.11 1m90 s MET 87 CO 0.24 -1.53 0.00 0.28 0.00 0.00 0.00 175.02 174.00 1m90 n VAL 88 N -1.84 0.00 -0.31 5.16 0.31 -1.26 -4.85 118.33 115.55 1m90 n VAL 88 Ca 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.45 1m90 n VAL 88 Cb 0.48 -0.32 0.08 0.00 -0.91 0.00 0.00 33.84 33.17 1m90 n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1m90 h ASN 89 N 0.00 1.00 0.39 4.52 2.35 -1.93 -3.21 115.58 118.70 1m90 h ASN 89 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1m90 h ASN 89 Cb 0.00 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1m90 h ASN 89 CO 0.00 0.75 -0.43 0.54 -1.65 0.00 0.00 177.43 176.64 1m90 n ARG 90 N -4.46 0.29 -2.05 0.81 1.74 -1.26 -4.88 116.66 106.85 1m90 n ARG 90 Ca 0.09 -0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.58 1m90 n ARG 90 Cb 0.04 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1m90 n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1m90 s ILE 91 N -2.83 2.87 0.15 0.55 1.01 -1.21 -4.97 121.20 116.77 1m90 s ILE 91 Ca 0.15 0.67 0.09 0.00 0.00 0.00 0.00 60.65 61.57 1m90 s ILE 91 Cb 0.18 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1m90 s ILE 91 CO 0.64 0.08 -0.20 0.42 0.00 0.00 0.00 174.94 175.88 1m90 s THR 92 N 0.60 1.90 0.57 2.92 -4.23 -1.26 -2.54 115.64 113.59 1m90 s THR 92 Ca 0.63 -1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 1m90 s THR 92 Cb -0.40 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1m90 s THR 92 CO 0.36 -0.18 1.06 -0.13 -0.54 0.00 0.00 174.62 175.19 1m90 s ARG 93 N -2.47 3.41 0.00 3.99 1.81 -1.26 -4.84 118.95 119.60 1m90 s ARG 93 Ca 0.14 1.28 0.29 0.00 -1.72 0.00 0.00 55.73 55.72 1m90 s ARG 93 Cb -0.08 -2.04 1.27 0.00 -0.45 0.00 0.00 34.95 33.65 1m90 s ARG 93 CO 0.06 -0.75 1.89 1.63 -0.68 0.00 0.00 175.30 177.46 1m90 n LYS 94 N -1.74 0.64 -4.17 3.54 5.02 -1.26 -4.75 118.16 115.45 1m90 n LYS 94 Ca 0.09 -0.19 -0.34 0.00 -2.02 0.00 0.00 58.31 55.85 1m90 n LYS 94 Cb 0.53 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 1m90 n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1m90 s LYS 95 N -2.49 3.84 0.48 1.97 2.20 -1.26 -5.01 119.74 119.48 1m90 s LYS 95 Ca 0.29 -0.42 -0.20 0.00 -0.36 0.00 0.00 55.97 55.28 1m90 s LYS 95 Cb 0.20 -3.09 -0.09 0.00 -1.51 0.00 0.00 37.83 33.35 1m90 s LYS 95 CO 0.47 0.26 1.02 0.54 -0.36 0.00 0.00 175.35 177.28 1m90 s ASN 96 N 0.38 6.45 0.36 1.43 4.22 -1.26 -4.88 114.94 121.63 1m90 s ASN 96 Ca -0.00 1.84 0.16 0.00 -2.14 0.00 0.00 52.86 52.72 1m90 s ASN 96 Cb -0.13 -2.55 1.10 0.00 1.28 0.00 0.00 41.25 40.95 1m90 s ASN 96 CO 0.01 -0.71 1.69 0.40 -2.04 0.00 0.00 177.10 176.46 1m90 h ILE 97 N 1.50 0.36 0.00 0.54 2.04 -1.97 0.39 117.51 120.37 1m90 h ILE 97 Ca -0.49 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1m90 h ILE 97 Cb 1.21 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1m90 h ILE 97 CO 0.59 0.06 -0.25 -0.61 0.00 0.00 0.00 178.15 177.95 1m90 h GLN 98 N 0.35 0.00 -0.05 2.37 4.15 -1.99 -0.69 115.11 119.25 1m90 h GLN 98 Ca 0.71 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.88 1m90 h GLN 98 Cb 1.68 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.38 1m90 h GLN 98 CO -0.51 0.25 -0.92 -0.09 -1.93 0.00 0.00 178.83 175.63 1m90 h ARG 99 N 0.00 0.67 -0.45 1.69 2.43 -0.60 -2.22 114.38 115.90 1m90 h ARG 99 Ca -0.00 -0.65 0.02 0.00 -0.81 0.00 0.00 59.98 58.54 1m90 h ARG 99 Cb 0.45 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 1m90 h ARG 99 CO 0.03 1.25 0.28 0.82 -1.51 0.00 0.00 179.97 180.83 1m90 h ILE 100 N 0.41 1.06 -0.71 1.20 2.04 -0.98 -1.50 117.51 119.03 1m90 h ILE 100 Ca -0.09 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1m90 h ILE 100 Cb 1.56 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1m90 h ILE 100 CO 0.18 0.10 0.42 0.00 0.00 0.00 0.00 178.15 178.85 1m90 h ALA 101 N 1.19 0.96 -0.33 1.87 0.00 -1.10 -0.02 119.26 121.83 1m90 h ALA 101 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1m90 h ALA 101 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1m90 h ALA 101 CO -0.07 0.13 0.01 0.93 0.00 0.00 0.00 179.25 180.25 1m90 h GLU 102 N 0.78 0.51 -0.03 0.00 5.08 -0.76 -1.67 114.58 118.49 1m90 h GLU 102 Ca 0.31 -0.10 -0.25 0.00 -1.00 0.00 0.00 59.36 58.32 1m90 h GLU 102 Cb 0.15 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.34 1m90 h GLU 102 CO -0.16 0.53 -0.95 0.93 -1.00 0.00 0.00 179.01 178.36 1m90 h GLU 103 N 0.49 0.70 -0.60 2.33 5.08 -0.27 -2.16 114.58 120.14 1m90 h GLU 103 Ca 0.11 -0.71 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 1m90 h GLU 103 Cb 0.31 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1m90 h GLU 103 CO 0.01 1.29 0.34 0.00 -1.00 0.00 0.00 179.01 179.65 1m90 h ARG 104 N 0.38 0.84 0.10 2.33 3.08 -0.81 -0.75 114.38 119.54 1m90 h ARG 104 Ca -0.11 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1m90 h ARG 104 Cb 1.60 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1m90 h ARG 104 CO 0.19 0.63 -0.05 0.00 -1.07 0.00 0.00 179.97 179.67 1m90 h ALA 105 N 1.16 -0.13 -0.97 0.04 0.00 -1.33 -2.42 119.26 115.61 1m90 h ALA 105 Ca 0.21 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1m90 h ALA 105 Cb 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1m90 h ALA 105 CO -0.04 -0.52 0.62 -0.97 0.00 0.00 0.00 179.25 178.34 1m90 h ASN 106 N -0.22 0.90 0.16 0.00 -0.73 -1.06 0.38 115.58 115.00 1m90 h ASN 106 Ca -0.01 0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.12 1m90 h ASN 106 Cb 0.18 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1m90 h ASN 106 CO 0.02 0.51 -0.25 0.03 -0.37 0.00 0.00 177.43 177.37 1m90 h ARG 107 N 0.99 0.16 0.00 6.67 3.08 -0.87 -2.13 114.38 122.28 1m90 h ARG 107 Ca 0.46 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.40 1m90 h ARG 107 Cb 0.41 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1m90 h ARG 107 CO -0.22 0.41 -0.25 0.87 -1.07 0.00 0.00 179.97 179.71 1m90 h LYS 108 N 0.15 0.00 -2.28 0.04 1.79 -0.44 -3.24 116.57 112.59 1m90 h LYS 108 Ca 0.02 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.89 1m90 h LYS 108 Cb 0.53 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.77 1m90 h LYS 108 CO 0.04 0.25 -0.55 1.19 -1.08 0.00 0.00 179.45 179.30 1m90 n PHE 109 N -3.78 3.92 -0.36 -1.35 3.01 -0.81 -4.95 117.46 113.14 1m90 n PHE 109 Ca -0.01 -3.96 0.30 0.00 1.01 0.00 0.00 57.45 54.79 1m90 n PHE 109 Cb 0.35 -0.54 0.50 0.00 -0.01 0.00 0.00 39.48 39.78 1m90 n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1m90 n PRO 110 N -0.02 -0.02 0.17 -1.08 -0.04 -1.18 0.34 135.00 133.16 1m90 n PRO 110 Ca 0.31 0.88 0.08 0.00 -0.04 0.00 0.00 63.50 64.74 1m90 n PRO 110 Cb 0.39 -1.77 0.09 0.00 -0.04 0.00 0.00 33.50 32.16 1m90 n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1m90 h ASN 111 N 0.00 0.00 -3.51 3.54 -1.07 -1.92 -3.47 115.58 109.15 1m90 h ASN 111 Ca 0.64 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 56.53 1m90 h ASN 111 Cb 2.12 0.00 0.05 0.00 -2.07 0.00 0.00 38.32 38.42 1m90 h ASN 111 CO -0.29 0.18 0.13 -0.76 0.07 0.00 0.00 177.43 176.76 1m90 s LEU 112 N -6.13 3.32 0.01 6.14 1.43 0.15 -4.49 118.68 119.13 1m90 s LEU 112 Ca 0.04 0.67 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1m90 s LEU 112 Cb 0.07 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1m90 s LEU 112 CO 0.72 -0.97 -0.18 -0.13 0.23 0.00 0.00 176.35 176.01 1m90 s ARG 113 N -4.91 1.35 0.25 1.70 0.52 -0.65 -4.91 118.95 112.31 1m90 s ARG 113 Ca 0.53 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 1m90 s ARG 113 Cb -0.10 -1.37 -0.09 0.00 0.52 0.00 0.00 34.95 33.90 1m90 s ARG 113 CO 0.44 0.36 1.22 0.08 0.02 0.00 0.00 175.30 177.42 1m90 s VAL 114 N -0.61 3.26 -0.17 3.52 1.01 -1.26 -0.79 120.40 125.37 1m90 s VAL 114 Ca 0.06 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1m90 s VAL 114 Cb -0.08 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1m90 s VAL 114 CO 0.00 0.23 -0.17 -0.11 0.00 0.00 0.00 175.10 175.06 1m90 n LEU 115 N 1.73 2.43 -3.80 3.92 -0.00 0.12 -4.86 117.00 116.55 1m90 n LEU 115 Ca 0.02 0.01 0.03 0.00 -0.00 0.00 0.00 56.01 56.07 1m90 n LEU 115 Cb 0.44 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1m90 n LEU 115 CO 0.56 0.64 1.16 0.21 -0.00 0.00 0.00 177.39 179.97 1m90 s ASN 116 N -5.88 -0.01 0.14 1.96 3.84 -1.18 -4.70 114.94 109.10 1m90 s ASN 116 Ca -0.23 -0.08 -0.22 0.00 0.21 0.00 0.00 52.86 52.55 1m90 s ASN 116 Cb 0.07 0.07 0.06 0.00 -0.55 0.00 0.00 41.25 40.90 1m90 s ASN 116 CO 0.35 -0.13 0.56 -0.94 -2.79 0.00 0.00 177.10 174.15 1m90 s SER 117 N -3.44 -0.50 0.08 -4.21 1.04 -1.26 -1.03 113.70 104.38 1m90 s SER 117 Ca 0.23 -0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.54 1m90 s SER 117 Cb 0.03 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1m90 s SER 117 CO -0.04 -0.92 0.22 -0.72 0.98 0.00 0.00 173.24 172.76 1m90 s TYR 118 N -3.59 0.09 0.31 5.02 -0.85 -0.96 -4.96 117.35 112.41 1m90 s TYR 118 Ca 0.01 -0.48 -0.25 0.00 -0.52 0.00 0.00 57.07 55.83 1m90 s TYR 118 Cb -0.00 -0.02 -0.10 0.00 0.38 0.00 0.00 41.96 42.22 1m90 s TYR 118 CO -0.11 -0.55 0.91 0.45 -1.52 0.00 0.00 175.55 174.73 1m90 s SER 119 N -2.74 7.30 -0.14 -0.18 0.15 -1.26 -0.99 113.70 115.84 1m90 s SER 119 Ca 0.03 1.78 0.17 0.00 0.70 0.00 0.00 55.95 58.63 1m90 s SER 119 Cb 0.04 -2.56 0.43 0.00 -1.71 0.00 0.00 66.02 62.22 1m90 s SER 119 CO -0.10 -0.05 1.19 1.33 1.20 0.00 0.00 173.24 176.81 1m90 n VAL 120 N 0.59 1.39 -0.04 4.45 0.24 -0.44 -4.88 118.33 119.64 1m90 n VAL 120 Ca 0.01 -2.51 0.00 0.00 -2.04 0.00 0.00 64.34 59.81 1m90 n VAL 120 Cb 0.50 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1m90 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1m90 n GLY 121 N -0.47 -3.84 3.50 7.63 0.00 -1.24 -4.79 105.19 105.97 1m90 n GLY 121 Ca 0.16 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1m90 n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1m90 s GLU 122 N -0.82 0.95 0.00 1.61 -1.05 -1.26 -0.76 118.70 117.36 1m90 s GLU 122 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 1m90 s GLU 122 Cb 0.00 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1m90 s GLU 122 CO 0.00 -0.37 0.00 -0.40 0.95 0.00 0.00 175.26 175.44 1m90 n ASP 123 N 0.16 0.00 0.20 0.83 5.68 -1.14 -4.99 116.55 117.30 1m90 n ASP 123 Ca -0.13 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.21 1m90 n ASP 123 Cb 0.61 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 41.00 1m90 n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1m90 h GLY 124 N 0.00 0.00 0.00 6.12 0.00 -2.04 -3.38 103.07 103.78 1m90 h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m90 h GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 1m90 n ARG 125 N -3.83 1.48 -3.79 4.80 1.85 -1.26 -4.92 116.66 110.98 1m90 n ARG 125 Ca -0.01 -0.05 -0.24 0.00 -1.00 0.00 0.00 57.85 56.55 1m90 n ARG 125 Cb 0.42 -0.32 -0.03 0.00 -1.05 0.00 0.00 32.46 31.48 1m90 n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1m90 s HIS 126 N -0.23 2.26 -0.16 2.89 3.76 -1.26 -0.67 115.29 121.88 1m90 s HIS 126 Ca 0.00 -0.65 -0.08 0.00 -0.15 0.00 0.00 55.06 54.18 1m90 s HIS 126 Cb 0.00 -2.03 0.06 0.00 1.11 0.00 0.00 32.58 31.72 1m90 s HIS 126 CO 0.00 -0.21 0.39 0.15 -0.85 0.00 0.00 174.74 174.22 1m90 s LYS 127 N -4.15 0.35 -0.06 1.40 1.02 -0.38 -2.89 119.74 115.03 1m90 s LYS 127 Ca 0.42 0.79 0.03 0.00 0.02 0.00 0.00 55.97 57.22 1m90 s LYS 127 Cb -0.01 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 1m90 s LYS 127 CO 0.24 -0.18 -0.13 -1.58 -0.92 0.00 0.00 175.35 172.79 1m90 s TRP 128 N 1.59 2.75 0.02 3.18 0.51 0.06 -1.68 118.94 125.36 1m90 s TRP 128 Ca -0.08 -0.21 0.02 0.00 -2.12 0.00 0.00 56.10 53.71 1m90 s TRP 128 Cb -0.09 -1.67 -0.01 0.00 -0.81 0.00 0.00 33.47 30.88 1m90 s TRP 128 CO -0.12 0.14 -0.06 -1.01 -0.51 0.00 0.00 176.95 175.39 1m90 s HIS 129 N -0.57 0.55 -0.21 -1.98 3.76 -0.97 -1.33 115.29 114.54 1m90 s HIS 129 Ca 0.08 -0.29 -0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1m90 s HIS 129 Cb -0.11 -0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 1m90 s HIS 129 CO 0.01 -0.05 0.05 -1.21 -0.85 0.00 0.00 174.74 172.70 1m90 s GLU 130 N -0.84 3.77 -0.16 1.40 2.02 -0.16 -0.61 118.70 124.11 1m90 s GLU 130 Ca -0.04 -0.44 -0.07 0.00 0.02 0.00 0.00 54.97 54.44 1m90 s GLU 130 Cb -0.06 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1m90 s GLU 130 CO 0.00 0.03 0.07 0.08 0.02 0.00 0.00 175.26 175.46 1m90 s VAL 131 N 1.01 4.89 -0.28 2.63 1.01 0.13 -2.25 120.40 127.54 1m90 s VAL 131 Ca 0.04 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1m90 s VAL 131 Cb -0.14 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1m90 s VAL 131 CO 0.03 0.50 0.30 -0.63 0.00 0.00 0.00 175.10 175.30 1m90 s ILE 132 N -0.01 5.23 0.33 2.22 1.01 -0.20 -0.65 121.20 129.14 1m90 s ILE 132 Ca 0.07 0.34 0.09 0.00 0.00 0.00 0.00 60.65 61.14 1m90 s ILE 132 Cb -0.12 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1m90 s ILE 132 CO 0.01 0.16 -0.02 -0.76 0.00 0.00 0.00 174.94 174.32 1m90 s LEU 133 N 1.94 2.93 0.03 2.97 1.02 0.16 -0.71 118.68 127.03 1m90 s LEU 133 Ca 0.11 -1.00 0.03 0.00 0.02 0.00 0.00 54.13 53.30 1m90 s LEU 133 Cb -0.16 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.72 1m90 s LEU 133 CO 0.11 -0.19 -0.10 -0.63 0.02 0.00 0.00 176.35 175.55 1m90 s ILE 134 N -2.52 0.80 -0.62 -0.59 -1.09 0.03 -1.28 121.20 115.93 1m90 s ILE 134 Ca 0.34 -0.87 -0.20 0.00 -2.23 0.00 0.00 60.65 57.69 1m90 s ILE 134 Cb -0.01 -0.75 0.10 0.00 -1.58 0.00 0.00 42.46 40.22 1m90 s ILE 134 CO 0.19 -0.09 0.79 -0.62 -1.23 0.00 0.00 174.94 173.98 1m90 s ASP 135 N -1.07 6.19 0.00 3.58 -1.08 0.32 -1.64 116.67 122.98 1m90 s ASP 135 Ca -0.02 -1.33 0.09 0.00 -0.52 0.00 0.00 52.55 50.77 1m90 s ASP 135 Cb -0.07 -2.34 0.46 0.00 -1.46 0.00 0.00 42.92 39.51 1m90 s ASP 135 CO 0.01 -1.21 1.16 -0.81 0.52 0.00 0.00 175.17 174.83 1m90 n PRO 136 N 6.74 0.13 0.00 4.34 -0.04 -1.26 -2.61 135.00 142.30 1m90 n PRO 136 Ca -0.07 0.19 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1m90 n PRO 136 Cb 0.43 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1m90 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1m90 n ASP 137 N -1.27 1.21 -4.64 3.54 8.00 -1.26 -4.75 116.55 117.37 1m90 n ASP 137 Ca 0.04 -1.11 -0.41 0.00 0.71 0.00 0.00 54.79 54.03 1m90 n ASP 137 Cb 0.07 0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 1m90 n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1m90 s HIS 138 N -1.89 3.33 1.18 1.24 2.46 -1.07 -4.97 115.29 115.57 1m90 s HIS 138 Ca 0.10 0.98 -0.13 0.00 0.47 0.00 0.00 55.06 56.48 1m90 s HIS 138 Cb 0.11 -2.91 0.29 0.00 -0.13 0.00 0.00 32.58 29.94 1m90 s HIS 138 CO 0.41 -0.30 1.02 -1.25 -2.47 0.00 0.00 174.74 172.15 1m90 s PRO 139 N 2.43 -1.03 0.00 2.88 0.04 -1.26 -1.42 135.00 136.64 1m90 s PRO 139 Ca 0.31 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1m90 s PRO 139 Cb -0.16 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1m90 s PRO 139 CO 0.09 -3.81 0.00 0.00 0.04 0.00 0.00 177.00 173.32 1m90 n ALA 140 N -4.98 0.00 -0.09 8.56 0.00 -1.26 -4.48 120.51 118.26 1m90 n ALA 140 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1m90 n ALA 140 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 1m90 n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1m90 n ILE 141 N 0.00 1.05 0.28 0.00 5.41 -0.51 -3.72 119.36 121.88 1m90 n ILE 141 Ca 0.00 -0.34 0.14 0.00 1.00 0.00 0.00 62.75 63.55 1m90 n ILE 141 Cb 0.00 -1.40 0.84 0.00 -0.71 0.00 0.00 39.64 38.37 1m90 n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1m90 h LYS 142 N -0.29 0.00 -0.39 0.38 1.57 -1.64 -1.16 116.57 115.04 1m90 h LYS 142 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1m90 h LYS 142 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1m90 h LYS 142 CO -0.16 0.05 0.00 0.43 -0.57 0.00 0.00 179.45 179.20 1m90 n SER 143 N -3.74 3.45 -4.60 0.86 7.64 -1.26 -4.77 113.62 111.20 1m90 n SER 143 Ca -0.02 -1.98 -0.41 0.00 1.01 0.00 0.00 58.87 57.47 1m90 n SER 143 Cb 0.15 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 1m90 n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1m90 s ASP 144 N -1.44 6.44 0.00 6.43 -1.08 -0.44 -4.91 116.67 121.66 1m90 s ASP 144 Ca 0.38 0.39 0.07 0.00 -0.52 0.00 0.00 52.55 52.87 1m90 s ASP 144 Cb 0.22 -2.30 0.40 0.00 -1.46 0.00 0.00 42.92 39.79 1m90 s ASP 144 CO 0.31 -0.39 0.82 0.47 0.52 0.00 0.00 175.17 176.90 1m90 n ASP 145 N 5.71 0.00 0.00 -0.34 8.00 -1.26 -0.85 116.55 127.80 1m90 n ASP 145 Ca -0.03 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1m90 n ASP 145 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1m90 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m90 n GLN 146 N -0.75 5.30 0.00 -1.24 6.02 -1.26 -4.78 117.38 120.67 1m90 n GLN 146 Ca 0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1m90 n GLN 146 Cb 0.02 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 30.74 1m90 n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1m90 n LEU 147 N -0.78 0.00 -0.09 1.08 4.77 -1.02 -4.80 117.00 116.17 1m90 n LEU 147 Ca 0.00 0.00 0.26 0.00 -0.03 0.00 0.00 56.01 56.24 1m90 n LEU 147 Cb 0.00 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.75 1m90 n LEU 147 CO 0.00 0.00 1.24 0.77 -1.33 0.00 0.00 177.39 178.07 1m90 h SER 148 N 0.00 0.00 -0.17 -1.43 4.64 -0.99 0.10 113.55 115.70 1m90 h SER 148 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1m90 h SER 148 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1m90 h SER 148 CO 0.00 0.00 0.14 4.11 -0.87 0.00 0.00 176.83 180.21 1m90 h TRP 149 N 0.00 0.00 0.00 4.77 5.08 -1.87 0.76 115.95 124.69 1m90 h TRP 149 Ca 0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.33 1m90 h TRP 149 Cb 1.89 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.05 1m90 h TRP 149 CO 0.00 0.00 0.00 1.51 -1.28 0.00 0.00 178.44 178.67 1m90 n ILE 150 N -4.23 0.12 0.16 0.12 3.06 0.02 -3.01 119.36 115.60 1m90 n ILE 150 Ca 0.01 0.03 0.05 0.00 -2.50 0.00 0.00 62.75 60.34 1m90 n ILE 150 Cb 0.27 -0.56 0.11 0.00 0.54 0.00 0.00 39.64 40.00 1m90 n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1m90 h SER 151 N 0.00 0.00 -2.89 9.51 0.02 -0.99 -3.45 113.55 115.74 1m90 h SER 151 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1m90 h SER 151 Cb 0.42 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.11 1m90 h SER 151 CO 0.00 0.39 -0.09 0.54 -1.14 0.00 0.00 176.83 176.53 1m90 n ARG 152 N -3.23 0.94 0.16 3.45 5.12 -1.16 -4.87 116.66 117.06 1m90 n ARG 152 Ca 0.02 0.34 0.05 0.00 -1.93 0.00 0.00 57.85 56.33 1m90 n ARG 152 Cb 0.66 -1.85 0.48 0.00 -1.16 0.00 0.00 32.46 30.59 1m90 n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1m90 h THR 153 N 1.00 1.12 0.00 0.55 2.02 -1.92 -1.83 112.91 113.85 1m90 h THR 153 Ca -0.44 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1m90 h THR 153 Cb 1.37 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1m90 h THR 153 CO 0.53 0.15 0.00 0.54 0.37 0.00 0.00 175.52 177.11 1m90 n ARG 154 N -4.37 0.06 -0.43 6.66 1.74 -1.26 -1.97 116.66 117.09 1m90 n ARG 154 Ca -0.01 0.53 0.10 0.00 -0.77 0.00 0.00 57.85 57.70 1m90 n ARG 154 Cb 0.19 -1.69 0.30 0.00 -1.02 0.00 0.00 32.46 30.25 1m90 n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1m90 n HIS 155 N -1.81 1.07 -1.78 -1.55 8.25 -0.69 -4.96 115.22 113.75 1m90 n HIS 155 Ca -0.00 -0.56 -0.42 0.00 -0.26 0.00 0.00 57.72 56.48 1m90 n HIS 155 Cb 0.03 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 1m90 n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1m90 s ARG 156 N -1.39 4.15 -1.02 -0.41 0.52 -0.83 -2.83 118.95 117.15 1m90 s ARG 156 Ca 0.45 2.48 -0.04 0.00 -0.52 0.00 0.00 55.73 58.10 1m90 s ARG 156 Cb 0.26 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 31.65 1m90 s ARG 156 CO 0.26 -0.92 0.87 1.28 0.02 0.00 0.00 175.30 176.81 1m90 n LEU 157 N 7.35 -3.38 -0.21 2.53 4.77 -1.26 -4.94 117.00 121.86 1m90 n LEU 157 Ca 0.19 -0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 1m90 n LEU 157 Cb 0.42 -2.55 -0.00 0.00 -2.33 0.00 0.00 43.42 38.95 1m90 n LEU 157 CO 0.66 0.41 0.61 0.03 -1.33 0.00 0.00 177.39 177.77 1m90 h ARG 158 N -1.83 -0.17 -0.80 3.23 3.08 -1.88 -2.16 114.38 113.85 1m90 h ARG 158 Ca -0.46 0.01 0.13 0.00 0.07 0.00 0.00 59.98 59.73 1m90 h ARG 158 Cb 1.28 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.28 1m90 h ARG 158 CO 0.42 -0.11 0.41 1.79 -1.07 0.00 0.00 179.97 181.41 1m90 h THR 159 N -0.18 0.78 0.00 2.04 1.35 -1.91 -0.89 112.91 114.10 1m90 h THR 159 Ca 0.22 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1m90 h THR 159 Cb 0.56 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1m90 h THR 159 CO -0.69 0.11 0.00 0.49 -0.25 0.00 0.00 175.52 175.18 1m90 n PHE 160 N -4.86 0.04 -0.42 4.73 3.01 -0.81 -1.67 117.46 117.48 1m90 n PHE 160 Ca 0.15 0.02 0.05 0.00 1.01 0.00 0.00 57.45 58.67 1m90 n PHE 160 Cb 0.37 -0.53 0.10 0.00 -0.01 0.00 0.00 39.48 39.41 1m90 n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1m90 n ARG 161 N -1.54 2.56 -1.35 -1.08 1.74 -0.38 -4.99 116.66 111.62 1m90 n ARG 161 Ca 0.02 -2.05 -0.12 0.00 -0.77 0.00 0.00 57.85 54.93 1m90 n ARG 161 Cb 0.12 -1.29 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 1m90 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m90 n GLY 162 N -0.50 1.29 0.16 -0.13 0.00 -0.67 -4.88 105.19 100.46 1m90 n GLY 162 Ca 0.09 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.79 1m90 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m90 n LEU 163 N -1.38 0.47 -4.94 0.99 4.77 -0.97 -3.10 117.00 112.84 1m90 n LEU 163 Ca -0.12 -0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.36 1m90 n LEU 163 Cb 0.43 -0.05 0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1m90 n LEU 163 CO 0.18 0.11 0.74 0.28 -1.33 0.00 0.00 177.39 177.37 1m90 s THR 164 N -1.90 2.09 0.00 -5.08 -1.32 -1.26 -4.84 115.64 103.33 1m90 s THR 164 Ca 0.13 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1m90 s THR 164 Cb 0.07 -2.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.18 1m90 s THR 164 CO 0.10 0.00 0.97 -1.54 -2.21 0.00 0.00 174.62 171.94 1m90 n SER 165 N -3.33 0.00 0.27 8.08 3.41 -1.26 -1.10 113.62 119.69 1m90 n SER 165 Ca 0.13 0.97 0.13 0.00 -0.26 0.00 0.00 58.87 59.84 1m90 n SER 165 Cb 0.60 -0.47 0.77 0.00 -0.26 0.00 0.00 64.21 64.85 1m90 n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m90 h ALA 166 N -1.77 1.39 -0.01 7.33 0.00 -1.95 -2.44 119.26 121.82 1m90 h ALA 166 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1m90 h ALA 166 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1m90 h ALA 166 CO 0.00 0.11 -0.03 0.78 0.00 0.00 0.00 179.25 180.11 1m90 h GLY 167 N 0.56 -0.02 1.68 0.00 0.00 -1.71 -0.09 103.07 103.49 1m90 h GLY 167 Ca -0.00 0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 1m90 h GLY 167 CO 0.01 -0.03 -0.44 3.21 0.00 0.00 0.00 176.54 179.29 1m90 h ARG 168 N -0.04 0.35 -0.21 4.80 3.08 -0.64 -2.06 114.38 119.66 1m90 h ARG 168 Ca 0.01 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 59.71 1m90 h ARG 168 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1m90 h ARG 168 CO -0.03 0.73 -0.54 0.00 -1.07 0.00 0.00 179.97 179.06 1m90 h ARG 169 N 0.28 0.74 0.00 0.04 3.08 -1.34 -2.62 114.38 114.55 1m90 h ARG 169 Ca 0.02 -0.51 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 1m90 h ARG 169 Cb 0.90 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 1m90 h ARG 169 CO 0.07 1.13 -0.11 0.00 -1.07 0.00 0.00 179.97 180.00 1m90 n ARG 171 N -3.91 1.24 -1.54 0.00 1.74 -0.78 -4.90 116.66 108.51 1m90 n ARG 171 Ca -0.02 -0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 56.57 1m90 n ARG 171 Cb 0.20 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1m90 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m90 n GLY 172 N 0.83 0.99 0.65 -0.13 0.00 -0.20 -4.85 105.19 102.48 1m90 n GLY 172 Ca 0.11 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1m90 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m90 n LEU 173 N -1.43 1.93 0.43 0.99 4.77 -1.01 -4.45 117.00 118.22 1m90 n LEU 173 Ca -0.12 -0.88 -0.20 0.00 -0.03 0.00 0.00 56.01 54.78 1m90 n LEU 173 Cb 0.44 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1m90 n LEU 173 CO 0.18 0.44 0.55 0.03 -1.33 0.00 0.00 177.39 177.26 1m90 h ARG 174 N 2.35 -1.14 -6.88 3.23 3.08 -1.84 -3.43 114.38 109.74 1m90 h ARG 174 Ca 0.00 0.08 -0.50 0.00 0.07 0.00 0.00 59.98 59.63 1m90 h ARG 174 Cb 0.52 0.26 0.03 0.00 0.08 0.00 0.00 29.97 30.86 1m90 h ARG 174 CO 0.00 -0.76 0.48 0.20 -1.07 0.00 0.00 179.97 178.82 1m90 s GLY 175 N -2.06 2.94 0.00 0.04 0.00 -1.26 -4.94 107.32 102.04 1m90 s GLY 175 Ca -0.19 0.90 0.22 0.00 0.00 0.00 0.00 44.72 45.65 1m90 s GLY 175 CO 0.60 1.45 0.96 -1.06 0.00 0.00 0.00 173.10 175.06 1m90 n GLN 176 N 0.58 0.02 0.00 2.90 6.02 -1.26 -4.71 117.38 120.93 1m90 n GLN 176 Ca 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1m90 n GLN 176 Cb 0.46 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1m90 n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1m90 n GLY 177 N 1.49 1.55 3.64 1.08 0.00 -1.26 -4.95 105.19 106.74 1m90 n GLY 177 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 1m90 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1m90 n LYS 178 N 0.00 1.78 0.00 1.61 4.81 -1.26 -2.39 118.16 122.71 1m90 n LYS 178 Ca 0.00 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1m90 n LYS 178 Cb 0.00 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1m90 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1m90 n GLY 179 N 2.11 3.34 2.19 3.14 0.00 -1.26 -4.92 105.19 109.80 1m90 n GLY 179 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1m90 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1m90 n SER 180 N 0.00 3.83 -0.13 1.61 3.41 -1.00 -4.54 113.62 116.80 1m90 n SER 180 Ca 0.00 -3.58 -0.13 0.00 -0.26 0.00 0.00 58.87 54.91 1m90 n SER 180 Cb 0.00 -0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 63.10 1m90 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1m90 h GLU 181 N 1.16 0.93 -0.30 4.33 3.07 -1.89 -3.02 114.58 118.86 1m90 h GLU 181 Ca 0.60 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1m90 h GLU 181 Cb 2.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.72 1m90 h GLU 181 CO 1.06 1.12 0.00 1.63 -1.40 0.00 0.00 179.01 181.42 1m90 n LYS 182 N -4.11 2.27 -0.02 2.33 4.76 -1.26 -4.57 118.16 117.56 1m90 n LYS 182 Ca -0.02 -1.91 -0.02 0.00 -2.87 0.00 0.00 58.31 53.49 1m90 n LYS 182 Cb 0.51 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 1m90 n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1m90 n VAL 183 N 1.14 0.30 -2.74 -0.18 0.31 -1.17 -4.20 118.33 111.80 1m90 n VAL 183 Ca 0.18 0.43 -0.36 0.00 -0.01 0.00 0.00 64.34 64.58 1m90 n VAL 183 Cb 0.53 -1.68 -0.06 0.00 -0.91 0.00 0.00 33.84 31.72 1m90 n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1m90 s ARG 184 N -1.35 4.40 0.30 5.55 3.52 -1.15 -1.81 118.95 128.40 1m90 s ARG 184 Ca -0.05 1.31 0.25 0.00 -0.13 0.00 0.00 55.73 57.11 1m90 s ARG 184 Cb 0.01 -2.58 0.59 0.00 -1.56 0.00 0.00 34.95 31.41 1m90 s ARG 184 CO 0.08 0.10 1.68 -1.00 -0.81 0.00 0.00 175.30 175.35 1m90 h PRO 185 N 2.68 0.00 -2.28 5.12 0.13 -1.90 -3.46 132.00 132.29 1m90 h PRO 185 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1m90 h PRO 185 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 1m90 h PRO 185 CO 0.63 0.00 0.29 -1.54 -0.23 0.00 0.00 178.00 177.15 1m90 s SER 186 N -5.20 -0.55 0.03 1.44 1.04 -0.75 -5.04 113.70 104.67 1m90 s SER 186 Ca 0.09 0.36 -0.24 0.00 0.48 0.00 0.00 55.95 56.63 1m90 s SER 186 Cb 0.09 0.50 -0.18 0.00 0.10 0.00 0.00 66.02 66.54 1m90 s SER 186 CO 0.63 -0.68 1.48 -0.07 0.98 0.00 0.00 173.24 175.59 1m90 h LEU 187 N 2.50 0.01 -0.96 2.42 3.38 -1.79 -2.99 115.31 117.87 1m90 h LEU 187 Ca -0.27 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.46 1m90 h LEU 187 Cb 1.21 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1m90 h LEU 187 CO 0.36 0.27 0.63 -0.09 0.09 0.00 0.00 178.44 179.70 1m90 h ARG 188 N -0.26 1.19 0.00 1.13 2.43 -1.91 0.29 114.38 117.26 1m90 h ARG 188 Ca 0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1m90 h ARG 188 Cb 0.27 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1m90 h ARG 188 CO 0.00 0.79 -0.09 -0.24 -1.51 0.00 0.00 179.97 178.91 1m90 h VAL 189 N 1.23 0.59 -0.53 0.20 3.04 -1.93 -1.43 116.25 117.41 1m90 h VAL 189 Ca 0.38 -0.41 -0.14 0.00 -1.01 0.00 0.00 66.70 65.52 1m90 h VAL 189 Cb -0.02 1.26 -0.08 0.00 -2.01 0.00 0.00 31.29 30.44 1m90 h VAL 189 CO -0.12 0.09 0.18 0.59 -1.01 0.00 0.00 177.57 177.31 1m90 n ASN 190 N -3.73 4.10 -0.66 3.17 3.02 -0.01 -4.89 115.26 116.26 1m90 n ASN 190 Ca -0.02 -2.86 -0.09 0.00 -0.03 0.00 0.00 54.58 51.58 1m90 n ASN 190 Cb 0.20 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 1m90 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m90 n GLY 191 N 0.02 0.94 2.84 7.41 0.00 -0.54 -3.52 105.19 112.35 1m90 n GLY 191 Ca 0.29 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1m90 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 n ALA 192 N 1.16 -1.91 0.03 4.61 0.00 -0.61 -4.98 120.51 118.80 1m90 n ALA 192 Ca -0.09 0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.45 1m90 n ALA 192 Cb 0.44 -3.94 0.04 0.00 0.00 0.00 0.00 19.45 16.00 1m90 n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1m90 n LYS 193 N -2.96 1.69 0.00 0.00 5.02 -1.23 -5.06 118.16 115.62 1m90 n LYS 193 Ca -0.09 -1.36 0.00 0.00 -2.02 0.00 0.00 58.31 54.84 1m90 n LYS 193 Cb 0.60 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1m90 n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88