#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 n LYS 2 N 0.00 0.34 -2.25 4.33 2.85 -1.26 -4.83 118.16 117.35 1m90 n LYS 2 Ca 0.00 -0.04 -0.43 0.00 -1.05 0.00 0.00 58.31 56.79 1m90 n LYS 2 Cb 0.00 -1.57 -0.02 0.00 -0.65 0.00 0.00 35.03 32.78 1m90 n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1m90 s GLN 3 N -3.25 4.19 0.28 -1.58 -0.21 -1.26 -4.94 119.66 112.89 1m90 s GLN 3 Ca 0.01 1.86 0.01 0.00 0.02 0.00 0.00 55.36 57.26 1m90 s GLN 3 Cb 0.14 -3.87 0.67 0.00 1.00 0.00 0.00 33.01 30.96 1m90 s GLN 3 CO 0.84 -0.79 1.66 -1.35 -2.12 0.00 0.00 175.29 173.53 1m90 h PRO 4 N 8.85 0.25 0.12 2.91 0.11 -1.99 -1.44 132.00 140.81 1m90 h PRO 4 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1m90 h PRO 4 Cb 1.13 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1m90 h PRO 4 CO 0.97 0.17 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.39 1m90 h ASP 5 N 0.26 -0.25 -0.32 -2.05 5.19 -1.99 -1.44 116.42 115.81 1m90 h ASP 5 Ca 0.53 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.93 1m90 h ASP 5 Cb 1.03 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 1m90 h ASP 5 CO -0.60 -0.15 0.12 0.11 -3.12 0.00 0.00 179.24 175.59 1m90 h LYS 6 N -0.23 0.57 0.13 3.56 1.57 -1.71 -0.73 116.57 119.74 1m90 h LYS 6 Ca -0.00 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1m90 h LYS 6 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1m90 h LYS 6 CO -0.01 0.50 -0.06 1.96 -0.57 0.00 0.00 179.45 181.27 1m90 h GLN 7 N 0.56 -0.17 -0.63 3.15 1.08 -0.99 -1.75 115.11 116.36 1m90 h GLN 7 Ca 0.13 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1m90 h GLN 7 Cb 0.18 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1m90 h GLN 7 CO -0.01 0.11 0.22 0.00 -0.95 0.00 0.00 178.83 178.20 1m90 h ARG 8 N -0.46 0.94 0.76 1.46 3.08 -1.15 -2.57 114.38 116.44 1m90 h ARG 8 Ca -0.02 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1m90 h ARG 8 Cb 0.36 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1m90 h ARG 8 CO 0.03 0.79 -0.36 -0.22 -1.07 0.00 0.00 179.97 179.14 1m90 h LYS 9 N 0.92 -0.98 -0.35 0.04 3.64 -1.04 -1.21 116.57 117.58 1m90 h LYS 9 Ca 0.21 0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.76 1m90 h LYS 9 Cb 0.22 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1m90 h LYS 9 CO -0.01 -0.65 0.28 0.66 -2.27 0.00 0.00 179.45 177.46 1m90 h SER 10 N -1.04 0.00 0.54 4.20 4.64 -1.25 0.59 113.55 121.23 1m90 h SER 10 Ca -0.10 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.99 1m90 h SER 10 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1m90 h SER 10 CO 0.17 0.00 -1.01 1.56 -0.87 0.00 0.00 176.83 176.68 1m90 h GLN 11 N 0.00 0.28 0.00 4.77 4.20 -1.14 -2.32 115.11 120.90 1m90 h GLN 11 Ca 0.17 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1m90 h GLN 11 Cb 0.73 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1m90 h GLN 11 CO -0.00 1.08 -0.31 0.00 -0.67 0.00 0.00 178.83 178.93 1m90 h ARG 12 N 0.13 0.00 -0.20 1.46 3.08 0.19 -3.33 114.38 115.71 1m90 h ARG 12 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1m90 h ARG 12 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.72 1m90 h ARG 12 CO 0.16 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.60 1m90 n ARG 13 N -2.91 2.42 -1.83 0.04 1.74 0.02 -5.02 116.66 111.12 1m90 n ARG 13 Ca 0.03 -1.71 -0.41 0.00 -0.77 0.00 0.00 57.85 54.98 1m90 n ARG 13 Cb 0.53 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 30.78 1m90 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1m90 s ALA 14 N -0.94 3.70 0.99 7.54 0.00 -0.87 -4.95 121.76 127.22 1m90 s ALA 14 Ca 0.15 1.53 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 1m90 s ALA 14 Cb 0.08 -3.62 0.15 0.00 0.00 0.00 0.00 23.12 19.73 1m90 s ALA 14 CO 0.10 -0.95 0.92 -2.30 0.00 0.00 0.00 175.76 173.54 1m90 n PRO 15 N 1.93 -0.89 -0.20 0.00 -0.02 -1.26 -4.73 135.00 129.83 1m90 n PRO 15 Ca 0.07 -0.21 -0.01 0.00 -2.02 0.00 0.00 63.50 61.33 1m90 n PRO 15 Cb 0.38 -2.20 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 1m90 n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1m90 h LEU 16 N -2.01 -0.48 -1.68 2.45 3.38 -1.98 -1.16 115.31 113.83 1m90 h LEU 16 Ca -0.47 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1m90 h LEU 16 Cb 1.29 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1m90 h LEU 16 CO 0.41 -0.18 0.00 1.12 0.09 0.00 0.00 178.44 179.88 1m90 h HIS 17 N 0.03 0.00 -0.01 1.13 2.07 -2.01 -1.23 115.15 115.13 1m90 h HIS 17 Ca 0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.82 1m90 h HIS 17 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 1m90 h HIS 17 CO -0.46 0.00 -0.01 0.39 -3.07 0.00 0.00 177.93 174.78 1m90 n GLU 18 N -2.98 1.55 0.03 5.12 1.02 -0.45 -3.68 120.64 121.24 1m90 n GLU 18 Ca -0.00 -0.83 0.12 0.00 -0.02 0.00 0.00 57.16 56.43 1m90 n GLU 18 Cb 0.25 -1.48 0.14 0.00 -0.02 0.00 0.00 31.44 30.33 1m90 n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1m90 n ARG 19 N 0.00 0.18 -0.23 3.49 1.74 -0.46 -3.92 116.66 117.46 1m90 n ARG 19 Ca 0.19 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.33 1m90 n ARG 19 Cb 0.33 -1.59 0.27 0.00 -1.02 0.00 0.00 32.46 30.45 1m90 n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1m90 h HIS 20 N 0.00 0.93 0.00 -1.55 3.86 -1.67 0.39 115.15 117.10 1m90 h HIS 20 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1m90 h HIS 20 Cb 0.65 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1m90 h HIS 20 CO 0.00 0.54 0.00 0.36 0.86 0.00 0.00 177.93 179.69 1m90 n LYS 21 N -4.45 0.23 0.00 2.45 2.85 -1.25 -1.71 118.16 116.28 1m90 n LYS 21 Ca 0.10 0.13 0.12 0.00 -1.05 0.00 0.00 58.31 57.62 1m90 n LYS 21 Cb 0.12 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.19 1m90 n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1m90 n GLN 22 N -1.28 1.52 -1.64 -1.58 6.02 0.12 -4.19 117.38 116.36 1m90 n GLN 22 Ca 0.07 -1.15 -0.11 0.00 -0.01 0.00 0.00 57.00 55.80 1m90 n GLN 22 Cb 0.12 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 29.99 1m90 n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1m90 n VAL 23 N 0.26 2.17 -3.69 5.09 0.24 -0.69 -4.76 118.33 116.95 1m90 n VAL 23 Ca 0.13 -3.62 -0.33 0.00 -2.04 0.00 0.00 64.34 58.48 1m90 n VAL 23 Cb 0.46 -0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 32.27 1m90 n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1m90 s ARG 24 N -3.31 3.63 0.08 7.34 0.52 -1.25 -1.88 118.95 124.07 1m90 s ARG 24 Ca 0.44 -0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.63 1m90 s ARG 24 Cb 0.39 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 1m90 s ARG 24 CO -0.01 0.54 -0.11 0.00 0.02 0.00 0.00 175.30 175.73 1m90 s ALA 25 N -1.52 1.04 0.56 2.13 0.00 -0.11 -4.13 121.76 119.74 1m90 s ALA 25 Ca 0.36 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.09 1m90 s ALA 25 Cb -0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1m90 s ALA 25 CO 0.22 0.05 1.23 -0.08 0.00 0.00 0.00 175.76 177.18 1m90 s THR 26 N -1.74 2.60 0.35 0.00 -1.32 -1.24 -0.92 115.64 113.38 1m90 s THR 26 Ca -0.01 0.41 -0.01 0.00 -1.21 0.00 0.00 61.69 60.87 1m90 s THR 26 Cb -0.07 -3.18 -0.04 0.00 -1.51 0.00 0.00 72.50 67.70 1m90 s THR 26 CO 0.01 -0.05 0.57 -0.76 -2.21 0.00 0.00 174.62 172.18 1m90 s LEU 27 N -3.75 3.98 0.94 9.08 1.43 0.12 -1.97 118.68 128.51 1m90 s LEU 27 Ca 0.74 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 1m90 s LEU 27 Cb -0.32 -3.41 0.15 0.00 0.03 0.00 0.00 46.19 42.64 1m90 s LEU 27 CO 0.36 -0.31 1.09 -0.94 0.23 0.00 0.00 176.35 176.79 1m90 s SER 28 N -3.88 3.10 0.22 2.29 1.04 -1.01 -4.75 113.70 110.71 1m90 s SER 28 Ca 0.41 1.44 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 1m90 s SER 28 Cb -0.10 -2.12 0.30 0.00 0.10 0.00 0.00 66.02 64.20 1m90 s SER 28 CO 0.36 -2.87 1.82 0.00 0.98 0.00 0.00 173.24 173.52 1m90 h ALA 29 N -1.71 1.02 0.52 5.32 0.00 -1.98 -1.62 119.26 120.82 1m90 h ALA 29 Ca -0.51 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1m90 h ALA 29 Cb 1.30 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1m90 h ALA 29 CO 0.55 0.10 -0.25 -0.44 0.00 0.00 0.00 179.25 179.20 1m90 h ASP 30 N 0.76 -0.60 -0.85 0.00 3.32 -1.98 -2.42 116.42 114.65 1m90 h ASP 30 Ca 0.34 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.46 1m90 h ASP 30 Cb 0.23 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1m90 h ASP 30 CO -0.20 -0.40 0.55 -0.07 -1.72 0.00 0.00 179.24 177.40 1m90 h LEU 31 N -0.74 0.83 -0.33 1.55 3.38 -1.89 0.24 115.31 118.35 1m90 h LEU 31 Ca -0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1m90 h LEU 31 Cb 0.56 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1m90 h LEU 31 CO 0.12 0.53 0.19 0.03 0.09 0.00 0.00 178.44 179.39 1m90 h ARG 32 N 0.94 0.45 -0.59 1.13 3.08 -1.19 -0.64 114.38 117.56 1m90 h ARG 32 Ca 0.37 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 1m90 h ARG 32 Cb 0.23 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1m90 h ARG 32 CO -0.13 0.37 0.21 1.49 -1.07 0.00 0.00 179.97 180.84 1m90 h GLU 33 N 0.41 0.89 -0.58 0.04 4.57 -0.82 0.30 114.58 119.39 1m90 h GLU 33 Ca 0.12 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 1m90 h GLU 33 Cb 0.04 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 1m90 h GLU 33 CO -0.02 0.78 0.11 1.49 -1.18 0.00 0.00 179.01 180.19 1m90 h GLU 34 N 0.82 0.95 -0.01 1.92 4.81 -0.16 -3.34 114.58 119.58 1m90 h GLU 34 Ca 0.19 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1m90 h GLU 34 Cb 0.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1m90 h GLU 34 CO -0.01 0.90 -0.20 0.66 -0.73 0.00 0.00 179.01 179.63 1m90 n TYR 35 N -4.33 0.00 -3.06 0.92 4.02 -0.28 -5.03 117.16 109.40 1m90 n TYR 35 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.79 1m90 n TYR 35 Cb 0.26 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.64 1m90 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1m90 n GLY 36 N 0.89 -0.09 3.13 2.72 0.00 0.11 -4.79 105.19 107.16 1m90 n GLY 36 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1m90 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m90 s GLN 37 N -5.25 0.55 -0.07 1.61 -0.21 -1.20 -5.07 119.66 110.03 1m90 s GLN 37 Ca 0.13 -0.45 0.12 0.00 0.02 0.00 0.00 55.36 55.19 1m90 s GLN 37 Cb -0.06 0.23 -0.23 0.00 1.00 0.00 0.00 33.01 33.95 1m90 s GLN 37 CO 0.49 -0.14 0.57 -2.13 -2.12 0.00 0.00 175.29 171.97 1m90 n ARG 38 N 1.23 0.64 -4.21 2.91 0.63 -1.26 -4.26 116.66 112.35 1m90 n ARG 38 Ca -0.22 0.26 -0.17 0.00 -0.92 0.00 0.00 57.85 56.80 1m90 n ARG 38 Cb 0.56 -1.76 -0.07 0.00 0.45 0.00 0.00 32.46 31.65 1m90 n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1m90 s ASN 39 N -6.06 1.31 0.07 6.15 4.22 -1.26 0.16 114.94 119.53 1m90 s ASN 39 Ca -0.06 -1.64 -0.22 0.00 -2.14 0.00 0.00 52.86 48.80 1m90 s ASN 39 Cb 0.08 0.59 0.05 0.00 1.28 0.00 0.00 41.25 43.25 1m90 s ASN 39 CO 0.82 -1.14 0.52 0.54 -2.04 0.00 0.00 177.10 175.80 1m90 s VAL 40 N -3.34 0.03 -0.43 3.54 0.11 -0.09 -4.82 120.40 115.39 1m90 s VAL 40 Ca 0.37 -0.25 -0.29 0.00 -2.93 0.00 0.00 61.98 58.89 1m90 s VAL 40 Cb 0.02 -1.01 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1m90 s VAL 40 CO 0.24 -0.14 1.46 -0.60 -3.33 0.00 0.00 175.10 172.73 1m90 s ARG 41 N -2.83 3.49 0.03 1.54 3.52 -1.12 -0.93 118.95 122.65 1m90 s ARG 41 Ca -0.03 0.91 -0.36 0.00 -0.13 0.00 0.00 55.73 56.12 1m90 s ARG 41 Cb -0.00 -4.06 -0.15 0.00 -1.56 0.00 0.00 34.95 29.17 1m90 s ARG 41 CO -0.05 -1.67 1.53 0.28 -0.81 0.00 0.00 175.30 174.58 1m90 n VAL 42 N 7.09 0.11 -4.23 7.11 0.31 -0.79 -4.96 118.33 122.98 1m90 n VAL 42 Ca 0.17 -0.02 -0.25 0.00 -0.01 0.00 0.00 64.34 64.22 1m90 n VAL 42 Cb 0.48 -1.21 -0.07 0.00 -0.91 0.00 0.00 33.84 32.13 1m90 n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1m90 s ASN 43 N 1.48 4.74 0.00 4.52 0.01 -1.26 -4.97 114.94 119.45 1m90 s ASN 43 Ca 0.86 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 52.59 1m90 s ASN 43 Cb -0.86 -0.99 0.24 0.00 0.41 0.00 0.00 41.25 40.05 1m90 s ASN 43 CO 0.48 0.06 0.61 0.00 -1.51 0.00 0.00 177.10 176.74 1m90 n ALA 44 N -0.37 1.71 -0.07 0.60 0.00 -1.26 -2.05 120.51 119.07 1m90 n ALA 44 Ca -0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 1m90 n ALA 44 Cb 0.56 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 1m90 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m90 n GLY 45 N -0.52 -0.58 3.49 0.00 0.00 -1.26 -4.46 105.19 101.86 1m90 n GLY 45 Ca 0.03 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1m90 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m90 n ASP 46 N -2.57 -1.24 -4.60 1.61 8.00 -0.87 -4.50 116.55 112.37 1m90 n ASP 46 Ca -0.23 0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.17 1m90 n ASP 46 Cb 0.91 -1.27 -0.10 0.00 -0.02 0.00 0.00 41.12 40.63 1m90 n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1m90 s THR 47 N -2.46 3.69 0.06 -3.53 2.01 0.80 -1.33 115.64 114.89 1m90 s THR 47 Ca 0.62 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 1m90 s THR 47 Cb -0.21 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1m90 s THR 47 CO 0.64 0.38 0.11 -0.69 -0.69 0.00 0.00 174.62 174.37 1m90 s VAL 48 N -1.01 0.15 -0.10 3.82 1.01 0.63 -1.42 120.40 123.48 1m90 s VAL 48 Ca 0.17 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 60.92 1m90 s VAL 48 Cb -0.11 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1m90 s VAL 48 CO 0.08 -0.70 -0.23 -1.83 0.00 0.00 0.00 175.10 172.42 1m90 s GLU 49 N -3.36 2.91 -0.12 2.72 -1.05 0.15 -1.31 118.70 118.64 1m90 s GLU 49 Ca 0.01 -0.83 -0.29 0.00 -0.15 0.00 0.00 54.97 53.71 1m90 s GLU 49 Cb 0.03 -2.23 -0.03 0.00 -0.44 0.00 0.00 34.13 31.47 1m90 s GLU 49 CO -0.08 0.14 1.33 0.08 0.95 0.00 0.00 175.26 177.67 1m90 s VAL 50 N 0.44 4.12 -0.86 1.83 1.01 -0.53 -0.84 120.40 125.57 1m90 s VAL 50 Ca -0.17 1.38 0.16 0.00 0.00 0.00 0.00 61.98 63.35 1m90 s VAL 50 Cb -0.17 -3.89 -0.16 0.00 0.00 0.00 0.00 36.38 32.16 1m90 s VAL 50 CO 0.07 -0.09 0.71 0.18 0.00 0.00 0.00 175.10 175.97 1m90 n LEU 51 N 6.39 0.88 0.00 3.92 4.77 0.60 0.38 117.00 133.94 1m90 n LEU 51 Ca 0.14 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1m90 n LEU 51 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1m90 n LEU 51 CO 0.57 0.21 -0.16 0.54 -1.33 0.00 0.00 177.39 177.21 1m90 n ARG 52 N -1.23 0.00 0.00 3.23 5.12 -1.21 -4.83 116.66 117.75 1m90 n ARG 52 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1m90 n ARG 52 Cb 0.27 -0.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 1m90 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m90 n GLY 53 N 2.14 -3.14 0.22 -0.13 0.00 -1.26 -4.59 105.19 98.44 1m90 n GLY 53 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 45.07 1m90 n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m90 h ASP 54 N 0.00 0.00 -0.40 1.61 3.45 -2.00 -2.62 116.42 116.46 1m90 h ASP 54 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1m90 h ASP 54 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1m90 h ASP 54 CO 0.00 0.16 0.00 0.49 -1.57 0.00 0.00 179.24 178.32 1m90 n PHE 55 N -3.23 0.70 -1.65 4.55 3.01 -1.26 -4.94 117.46 114.64 1m90 n PHE 55 Ca 0.01 -0.31 -0.45 0.00 1.01 0.00 0.00 57.45 57.71 1m90 n PHE 55 Cb 0.47 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 1m90 n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1m90 n ALA 56 N 0.64 0.64 0.00 4.37 0.00 -0.99 -1.76 120.51 123.41 1m90 n ALA 56 Ca 0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1m90 n ALA 56 Cb 0.45 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1m90 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m90 n GLY 57 N 1.90 3.10 3.75 0.00 0.00 0.16 -4.97 105.19 109.12 1m90 n GLY 57 Ca 0.11 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1m90 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m90 s GLU 58 N 0.00 2.55 0.09 1.61 2.02 -0.72 -4.74 118.70 119.51 1m90 s GLU 58 Ca 0.00 1.57 0.06 0.00 0.02 0.00 0.00 54.97 56.62 1m90 s GLU 58 Cb 0.00 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 1m90 s GLU 58 CO 0.00 -1.48 -0.15 -1.21 0.02 0.00 0.00 175.26 172.44 1m90 s GLU 59 N -3.95 0.93 0.01 1.61 2.02 -1.26 -1.45 118.70 116.60 1m90 s GLU 59 Ca 0.71 -1.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.32 1m90 s GLU 59 Cb -0.25 -0.91 0.10 0.00 0.10 0.00 0.00 34.13 33.18 1m90 s GLU 59 CO 0.42 0.19 1.26 0.20 0.02 0.00 0.00 175.26 177.35 1m90 s GLY 60 N -2.04 -0.22 -0.05 -1.39 0.00 -0.42 -4.99 107.32 98.20 1m90 s GLY 60 Ca 0.03 0.26 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 1m90 s GLY 60 CO 0.03 2.97 0.47 1.85 0.00 0.00 0.00 173.10 178.42 1m90 s GLU 61 N -2.22 4.19 -0.05 2.90 2.12 -1.26 -0.27 118.70 124.11 1m90 s GLU 61 Ca 0.22 0.48 -0.30 0.00 0.36 0.00 0.00 54.97 55.74 1m90 s GLU 61 Cb 0.01 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 1m90 s GLU 61 CO -0.01 0.40 1.70 0.08 -0.54 0.00 0.00 175.26 176.88 1m90 s VAL 62 N -0.17 3.51 -0.12 3.70 1.01 -0.44 -0.51 120.40 127.38 1m90 s VAL 62 Ca 0.26 0.62 0.17 0.00 0.00 0.00 0.00 61.98 63.03 1m90 s VAL 62 Cb -0.16 -3.41 -0.20 0.00 0.00 0.00 0.00 36.38 32.61 1m90 s VAL 62 CO 0.13 -0.06 0.57 -0.38 0.00 0.00 0.00 175.10 175.35 1m90 n ILE 63 N 5.53 1.14 -3.56 2.22 2.08 0.17 -4.17 119.36 122.77 1m90 n ILE 63 Ca 0.18 -0.72 -0.17 0.00 0.56 0.00 0.00 62.75 62.60 1m90 n ILE 63 Cb 0.43 -0.61 -0.06 0.00 -0.75 0.00 0.00 39.64 38.64 1m90 n ILE 63 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1m90 s ASN 64 N -5.58 -0.64 -0.23 4.38 2.47 -1.13 -4.95 114.94 109.26 1m90 s ASN 64 Ca -0.06 0.82 -0.02 0.00 0.42 0.00 0.00 52.86 54.03 1m90 s ASN 64 Cb 0.09 0.71 0.07 0.00 -1.45 0.00 0.00 41.25 40.67 1m90 s ASN 64 CO 0.83 -0.52 0.03 -0.69 -3.72 0.00 0.00 177.10 173.03 1m90 s VAL 65 N -0.86 0.82 -0.38 -5.21 1.01 -1.26 -0.40 120.40 114.12 1m90 s VAL 65 Ca -0.09 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1m90 s VAL 65 Cb -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1m90 s VAL 65 CO 0.08 -0.29 0.54 -0.62 0.00 0.00 0.00 175.10 174.80 1m90 s ASP 66 N 1.70 6.30 0.18 3.32 -1.08 0.56 -4.95 116.67 122.70 1m90 s ASP 66 Ca 0.00 -0.20 -0.06 0.00 -0.52 0.00 0.00 52.55 51.77 1m90 s ASP 66 Cb -0.17 -2.28 0.07 0.00 -1.46 0.00 0.00 42.92 39.08 1m90 s ASP 66 CO -0.12 -0.58 1.50 -0.07 0.52 0.00 0.00 175.17 176.43 1m90 h LEU 67 N 9.25 0.75 0.25 -1.34 3.38 -1.94 0.20 115.31 125.86 1m90 h LEU 67 Ca -0.27 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1m90 h LEU 67 Cb 1.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1m90 h LEU 67 CO 0.81 1.11 -0.12 -0.78 0.09 0.00 0.00 178.44 179.55 1m90 h ASP 68 N 0.54 -0.29 -0.13 -0.43 1.82 -1.96 -2.74 116.42 113.25 1m90 h ASP 68 Ca 0.03 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1m90 h ASP 68 Cb 1.04 0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1m90 h ASP 68 CO 0.10 -0.13 0.00 0.29 -1.61 0.00 0.00 179.24 177.89 1m90 n LYS 69 N -5.20 1.55 -4.02 0.28 5.02 -1.24 -4.94 118.16 109.60 1m90 n LYS 69 Ca -0.09 -0.82 -0.37 0.00 -2.02 0.00 0.00 58.31 55.00 1m90 n LYS 69 Cb 0.18 -1.36 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1m90 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m90 n ALA 70 N 0.05 -2.39 -2.57 7.82 0.00 -0.05 -4.96 120.51 118.40 1m90 n ALA 70 Ca 0.15 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 1m90 n ALA 70 Cb 0.26 -2.41 -0.09 0.00 0.00 0.00 0.00 19.45 17.21 1m90 n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1m90 s VAL 71 N -3.75 0.15 0.11 0.00 1.01 -0.52 -4.68 120.40 112.72 1m90 s VAL 71 Ca 0.32 -1.25 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1m90 s VAL 71 Cb -0.16 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1m90 s VAL 71 CO 0.94 -0.69 -0.16 0.27 0.00 0.00 0.00 175.10 175.47 1m90 s ILE 72 N -3.07 1.40 -0.18 2.22 -4.36 -0.72 -0.33 121.20 116.16 1m90 s ILE 72 Ca -0.01 -1.62 -0.07 0.00 -0.26 0.00 0.00 60.65 58.70 1m90 s ILE 72 Cb 0.02 -1.47 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 1m90 s ILE 72 CO -0.07 -0.30 0.04 -1.00 0.24 0.00 0.00 174.94 173.85 1m90 s HIS 73 N -1.78 3.18 -0.08 1.37 3.76 0.47 -1.76 115.29 120.45 1m90 s HIS 73 Ca 0.07 -0.07 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 1m90 s HIS 73 Cb -0.07 -2.07 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 1m90 s HIS 73 CO 0.03 0.05 -0.18 0.08 -0.85 0.00 0.00 174.74 173.88 1m90 s VAL 74 N 0.52 2.71 0.15 -0.90 1.01 -1.26 0.45 120.40 123.06 1m90 s VAL 74 Ca 0.02 -0.82 -0.34 0.00 0.00 0.00 0.00 61.98 60.83 1m90 s VAL 74 Cb -0.13 -2.07 -0.14 0.00 0.00 0.00 0.00 36.38 34.04 1m90 s VAL 74 CO 0.01 0.56 1.54 1.21 0.00 0.00 0.00 175.10 178.43 1m90 n GLU 75 N 2.94 1.99 -0.50 2.72 2.13 0.33 -1.78 120.64 128.47 1m90 n GLU 75 Ca -0.18 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1m90 n GLU 75 Cb 0.52 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1m90 n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1m90 n ASP 76 N 3.31 0.00 -4.44 4.31 8.00 -1.26 -4.60 116.55 121.86 1m90 n ASP 76 Ca 0.17 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.23 1m90 n ASP 76 Cb 0.27 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 1m90 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1m90 s VAL 77 N -3.39 4.83 0.31 2.53 1.01 -0.73 -4.97 120.40 119.99 1m90 s VAL 77 Ca 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 61.98 60.22 1m90 s VAL 77 Cb 0.00 -4.78 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 1m90 s VAL 77 CO 0.00 -1.49 0.16 0.42 0.00 0.00 0.00 175.10 174.19 1m90 s THR 78 N 2.35 0.35 0.16 3.92 -4.23 -1.26 -1.43 115.64 115.50 1m90 s THR 78 Ca 0.33 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.95 1m90 s THR 78 Cb -0.05 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1m90 s THR 78 CO -0.08 0.00 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.00 1m90 s LEU 79 N -3.39 2.38 -0.39 4.79 1.43 0.39 -4.76 118.68 119.14 1m90 s LEU 79 Ca 0.35 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 1m90 s LEU 79 Cb 0.05 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 45.17 1m90 s LEU 79 CO 0.18 0.11 0.44 -0.70 0.23 0.00 0.00 176.35 176.61 1m90 s GLU 80 N -2.41 3.31 0.99 1.70 2.56 -1.26 -1.32 118.70 122.27 1m90 s GLU 80 Ca 0.16 -0.55 -0.15 0.00 0.00 0.00 0.00 54.97 54.43 1m90 s GLU 80 Cb -0.09 -3.90 0.19 0.00 2.00 0.00 0.00 34.13 32.33 1m90 s GLU 80 CO 0.08 -0.75 1.17 0.15 -0.56 0.00 0.00 175.26 175.35 1m90 s LYS 81 N 2.19 0.46 0.08 4.30 1.02 -0.21 -4.94 119.74 122.65 1m90 s LYS 81 Ca 0.14 0.08 -0.19 0.00 0.02 0.00 0.00 55.97 56.01 1m90 s LYS 81 Cb -0.16 -1.78 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 1m90 s LYS 81 CO 0.13 -2.61 1.55 1.15 -0.92 0.00 0.00 175.35 174.65 1m90 h THR 82 N -1.80 1.23 0.00 2.17 2.02 -1.98 -2.65 112.91 111.91 1m90 h THR 82 Ca -0.48 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1m90 h THR 82 Cb 1.30 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1m90 h THR 82 CO 0.51 0.24 0.00 -0.90 0.37 0.00 0.00 175.52 175.73 1m90 n ASP 83 N -4.72 0.00 0.00 4.18 5.68 -1.26 -4.82 116.55 115.60 1m90 n ASP 83 Ca -0.04 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1m90 n ASP 83 Cb 0.20 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1m90 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1m90 n GLY 84 N -0.32 3.00 3.68 6.12 0.00 -1.00 -5.07 105.19 111.60 1m90 n GLY 84 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1m90 n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1m90 n GLU 85 N -1.76 0.07 -4.02 1.61 2.13 -1.26 -4.64 120.64 112.77 1m90 n GLU 85 Ca 0.00 0.10 -0.34 0.00 0.66 0.00 0.00 57.16 57.59 1m90 n GLU 85 Cb 0.00 -2.42 -0.15 0.00 0.27 0.00 0.00 31.44 29.15 1m90 n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1m90 s GLU 86 N -4.17 2.73 0.20 5.31 2.12 -1.26 -1.04 118.70 122.58 1m90 s GLU 86 Ca 0.72 -1.03 0.09 0.00 0.36 0.00 0.00 54.97 55.11 1m90 s GLU 86 Cb -0.28 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1m90 s GLU 86 CO 0.52 -0.40 -0.06 0.14 -0.54 0.00 0.00 175.26 174.92 1m90 s VAL 87 N 1.26 3.32 0.42 3.70 -7.23 -0.43 -4.91 120.40 116.54 1m90 s VAL 87 Ca -0.01 -1.70 -0.25 0.00 -1.81 0.00 0.00 61.98 58.21 1m90 s VAL 87 Cb -0.17 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.01 1m90 s VAL 87 CO -0.06 -0.18 1.17 -2.16 -0.31 0.00 0.00 175.10 173.56 1m90 s PRO 88 N -3.07 3.98 -0.45 4.82 0.04 -1.26 0.15 135.00 139.19 1m90 s PRO 88 Ca 0.27 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 1m90 s PRO 88 Cb -0.08 -2.61 0.08 0.00 0.04 0.00 0.00 34.50 31.93 1m90 s PRO 88 CO 0.17 -0.38 0.34 0.50 0.04 0.00 0.00 177.00 177.67 1m90 s ARG 89 N -2.40 2.80 0.13 4.56 6.06 -0.52 -4.68 118.95 124.91 1m90 s ARG 89 Ca 0.59 -1.43 -0.35 0.00 -2.50 0.00 0.00 55.73 52.04 1m90 s ARG 89 Cb -0.30 -3.98 -0.16 0.00 0.06 0.00 0.00 34.95 30.56 1m90 s ARG 89 CO 0.38 -1.02 1.22 -2.30 -2.50 0.00 0.00 175.30 171.08 1m90 n PRO 90 N 5.07 1.06 -4.40 5.12 -0.02 -1.26 -4.78 135.00 135.79 1m90 n PRO 90 Ca -0.11 0.38 -0.28 0.00 -2.02 0.00 0.00 63.50 61.47 1m90 n PRO 90 Cb 0.43 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 1m90 n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1m90 s LEU 91 N 0.60 2.37 -0.10 2.45 1.43 -0.72 -4.93 118.68 119.77 1m90 s LEU 91 Ca 0.79 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 1m90 s LEU 91 Cb -0.92 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1m90 s LEU 91 CO 0.50 0.15 0.45 -0.62 0.23 0.00 0.00 176.35 177.06 1m90 s ASP 92 N -2.32 6.69 0.54 2.29 -1.08 -1.26 -1.76 116.67 119.77 1m90 s ASP 92 Ca 0.17 0.82 0.25 0.00 -0.52 0.00 0.00 52.55 53.27 1m90 s ASP 92 Cb -0.09 -2.27 1.43 0.00 -1.46 0.00 0.00 42.92 40.53 1m90 s ASP 92 CO 0.08 0.08 2.01 0.71 0.52 0.00 0.00 175.17 178.57 1m90 h THR 93 N 4.50 0.69 -0.06 1.71 1.35 -1.84 -1.18 112.91 118.09 1m90 h THR 93 Ca -0.43 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.45 1m90 h THR 93 Cb 1.18 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1m90 h THR 93 CO 0.73 0.00 0.08 -1.28 -0.25 0.00 0.00 175.52 174.80 1m90 h SER 94 N 0.00 0.00 -0.65 5.36 0.87 -1.91 0.95 113.55 118.17 1m90 h SER 94 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1m90 h SER 94 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1m90 h SER 94 CO -0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 1m90 n ASN 95 N -3.62 4.93 -4.26 6.23 3.02 -0.45 -4.95 115.26 116.17 1m90 n ASN 95 Ca -0.02 -2.51 -0.19 0.00 -0.03 0.00 0.00 54.58 51.83 1m90 n ASN 95 Cb 0.17 -0.60 -0.11 0.00 -0.61 0.00 0.00 39.78 38.63 1m90 n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1m90 s VAL 96 N -1.98 1.46 -0.08 2.41 1.01 0.33 -0.29 120.40 123.26 1m90 s VAL 96 Ca 0.52 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1m90 s VAL 96 Cb 0.34 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1m90 s VAL 96 CO 0.24 -0.37 -0.09 -0.60 0.00 0.00 0.00 175.10 174.28 1m90 s ARG 97 N -2.64 1.46 -0.32 2.72 3.52 -0.02 -3.64 118.95 120.03 1m90 s ARG 97 Ca 0.10 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 1m90 s ARG 97 Cb -0.05 -1.36 0.02 0.00 -1.56 0.00 0.00 34.95 31.99 1m90 s ARG 97 CO 0.04 -0.10 1.10 0.08 -0.81 0.00 0.00 175.30 175.61 1m90 s VAL 98 N 1.11 4.45 -0.17 7.11 1.01 -0.83 0.31 120.40 133.40 1m90 s VAL 98 Ca -0.07 1.67 0.20 0.00 0.00 0.00 0.00 61.98 63.78 1m90 s VAL 98 Cb -0.14 -4.39 -0.29 0.00 0.00 0.00 0.00 36.38 31.55 1m90 s VAL 98 CO -0.01 -0.50 0.50 0.35 0.00 0.00 0.00 175.10 175.44 1m90 n THR 99 N 5.94 0.00 -3.74 3.92 -2.24 -0.50 -2.40 114.28 115.26 1m90 n THR 99 Ca 0.12 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1m90 n THR 99 Cb 0.47 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 1m90 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1m90 s ASP 100 N -4.07 -0.37 -0.09 3.42 -1.08 -1.10 -4.96 116.67 108.41 1m90 s ASP 100 Ca -0.05 0.70 -0.03 0.00 -0.52 0.00 0.00 52.55 52.65 1m90 s ASP 100 Cb 0.13 0.65 -0.03 0.00 -1.46 0.00 0.00 42.92 42.21 1m90 s ASP 100 CO 0.83 -0.15 0.02 -0.76 0.52 0.00 0.00 175.17 175.63 1m90 s LEU 101 N 0.71 3.68 -0.57 -1.34 1.43 -1.26 -0.14 118.68 121.20 1m90 s LEU 101 Ca -0.04 0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 1m90 s LEU 101 Cb -0.06 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.39 1m90 s LEU 101 CO -0.05 0.37 0.72 -0.62 0.23 0.00 0.00 176.35 177.00 1m90 s ASP 102 N -0.83 6.21 -0.52 2.29 -1.08 -1.26 -4.88 116.67 116.59 1m90 s ASP 102 Ca 0.13 -1.11 0.02 0.00 -0.52 0.00 0.00 52.55 51.06 1m90 s ASP 102 Cb -0.12 -2.32 0.51 0.00 -1.46 0.00 0.00 42.92 39.54 1m90 s ASP 102 CO 0.02 -1.08 1.83 0.18 0.52 0.00 0.00 175.17 176.64 1m90 n LEU 103 N 6.52 6.69 0.00 -1.34 4.77 -1.26 -4.64 117.00 127.74 1m90 n LEU 103 Ca -0.07 -4.13 0.06 0.00 -0.03 0.00 0.00 56.01 51.84 1m90 n LEU 103 Cb 0.44 -0.82 0.27 0.00 -2.33 0.00 0.00 43.42 40.98 1m90 n LEU 103 CO 0.58 1.44 0.70 -0.62 -1.33 0.00 0.00 177.39 178.15 1m90 n GLU 104 N -0.97 0.00 -3.53 3.23 1.02 -1.26 -4.59 120.64 114.54 1m90 n GLU 104 Ca 0.56 0.30 -0.38 0.00 -0.02 0.00 0.00 57.16 57.62 1m90 n GLU 104 Cb 0.99 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.81 1m90 n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1m90 s ASP 105 N -3.03 6.22 0.18 1.62 -1.08 -1.26 -4.96 116.67 114.37 1m90 s ASP 105 Ca 0.06 0.25 -0.13 0.00 -0.52 0.00 0.00 52.55 52.20 1m90 s ASP 105 Cb 0.08 -2.16 0.11 0.00 -1.46 0.00 0.00 42.92 39.49 1m90 s ASP 105 CO 0.23 -0.03 1.83 -0.33 0.52 0.00 0.00 175.17 177.39 1m90 h GLU 106 N 7.65 0.68 -0.37 4.34 5.08 -2.00 -1.74 114.58 128.22 1m90 h GLU 106 Ca -0.36 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1m90 h GLU 106 Cb 1.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1m90 h GLU 106 CO 0.66 0.45 0.23 0.87 -1.00 0.00 0.00 179.01 180.22 1m90 h LYS 107 N 0.70 0.51 0.47 2.33 1.57 -1.95 0.20 116.57 120.39 1m90 h LYS 107 Ca 0.22 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1m90 h LYS 107 Cb -0.01 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1m90 h LYS 107 CO -0.08 0.38 -0.23 -0.09 -0.57 0.00 0.00 179.45 178.86 1m90 h ARG 108 N 0.49 -0.61 -0.88 3.15 2.43 -1.89 -1.19 114.38 115.88 1m90 h ARG 108 Ca 0.13 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.47 1m90 h ARG 108 Cb -0.00 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 1m90 h ARG 108 CO -0.03 -0.35 0.50 1.49 -1.51 0.00 0.00 179.97 180.07 1m90 h GLU 109 N -0.75 0.74 0.09 0.20 4.81 -1.24 -0.39 114.58 118.04 1m90 h GLU 109 Ca -0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1m90 h GLU 109 Cb 0.54 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1m90 h GLU 109 CO 0.11 0.49 -0.09 0.00 -0.73 0.00 0.00 179.01 178.79 1m90 h ALA 110 N 1.53 -0.17 -0.53 2.92 0.00 -0.38 -1.67 119.26 120.96 1m90 h ALA 110 Ca 0.46 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.41 1m90 h ALA 110 Cb 0.55 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1m90 h ALA 110 CO -0.31 -0.61 0.21 0.00 0.00 0.00 0.00 179.25 178.54 1m90 h ARG 111 N -0.20 0.39 -0.30 0.00 3.08 -0.25 -0.80 114.38 116.31 1m90 h ARG 111 Ca 0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1m90 h ARG 111 Cb 0.19 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1m90 h ARG 111 CO -0.02 0.26 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.04 1m90 h LEU 112 N 0.40 -0.16 -0.19 3.04 3.38 -0.79 -3.16 115.31 117.82 1m90 h LEU 112 Ca 0.25 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 1m90 h LEU 112 Cb 0.26 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1m90 h LEU 112 CO -0.24 -0.05 -0.25 -0.33 0.09 0.00 0.00 178.44 177.66 1m90 h GLU 113 N 0.06 0.50 -6.71 1.13 5.08 -0.83 -3.46 114.58 110.36 1m90 h GLU 113 Ca 0.14 -0.29 -0.55 0.00 -1.00 0.00 0.00 59.36 57.66 1m90 h GLU 113 Cb 0.20 0.02 0.19 0.00 0.50 0.00 0.00 28.75 29.66 1m90 h GLU 113 CO -0.26 0.88 -0.40 -1.13 -1.00 0.00 0.00 179.01 177.11 1m90 n SER 114 N -4.40 -1.25 -0.77 1.42 3.41 -0.35 -4.90 113.62 106.78 1m90 n SER 114 Ca -0.06 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 1m90 n SER 114 Cb 0.44 -1.23 0.09 0.00 -0.26 0.00 0.00 64.21 63.25 1m90 n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1m90 n GLU 115 N -1.02 1.67 -0.11 4.33 0.28 -1.26 -4.31 120.64 120.22 1m90 n GLU 115 Ca 0.10 -1.68 0.07 0.00 -0.16 0.00 0.00 57.16 55.49 1m90 n GLU 115 Cb 0.51 -1.36 0.13 0.00 1.43 0.00 0.00 31.44 32.14 1m90 n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1m90 n ASP 116 N 1.05 2.69 -3.74 -1.84 8.00 -1.26 -4.99 116.55 116.46 1m90 n ASP 116 Ca 0.12 -1.80 -0.12 0.00 0.71 0.00 0.00 54.79 53.69 1m90 n ASP 116 Cb 0.47 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.34 1m90 n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1m90 s ASP 117 N -1.09 -0.18 0.09 -2.24 -1.08 -1.26 -5.17 116.67 105.74 1m90 s ASP 117 Ca 0.23 -0.06 0.10 0.00 -0.52 0.00 0.00 52.55 52.30 1m90 s ASP 117 Cb 0.14 0.35 -0.03 0.00 -1.46 0.00 0.00 42.92 41.92 1m90 s ASP 117 CO 0.19 -0.57 -0.25 -0.94 0.52 0.00 0.00 175.17 174.12 1m90 s SER 118 N -1.79 3.08 0.00 -0.34 1.04 -1.26 -4.70 113.70 109.72 1m90 s SER 118 Ca -0.08 -0.67 0.07 0.00 0.48 0.00 0.00 55.95 55.75 1m90 s SER 118 Cb -0.02 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.92 1m90 s SER 118 CO -0.00 0.19 0.71 0.00 0.98 0.00 0.00 173.24 175.11