#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm s VAL 5 N 0.00 4.63 0.04 0.44 1.01 -1.26 -5.03 120.40 120.23 3abm s VAL 5 Ca 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 3abm s VAL 5 Cb 0.00 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 3abm s VAL 5 CO 0.00 -0.55 0.45 -0.69 0.00 0.00 0.00 175.10 174.31 3abm s VAL 6 N 3.36 4.97 0.03 2.92 1.01 -1.26 -5.08 120.40 126.35 3abm s VAL 6 Ca 0.35 0.83 0.08 0.00 0.00 0.00 0.00 61.98 63.24 3abm s VAL 6 Cb -0.12 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3abm s VAL 6 CO 0.19 0.49 -0.22 -0.54 0.00 0.00 0.00 175.10 175.02 3abm s LYS 7 N -1.33 1.59 0.51 2.72 1.02 -1.26 -5.00 119.74 118.00 3abm s LYS 7 Ca 0.28 -0.93 0.16 0.00 0.02 0.00 0.00 55.97 55.50 3abm s LYS 7 Cb -0.16 -1.67 1.25 0.00 -0.52 0.00 0.00 37.83 36.72 3abm s LYS 7 CO 0.16 0.44 2.12 0.77 -0.92 0.00 0.00 175.35 177.92 3abm h SER 8 N 5.07 0.04 0.75 2.83 0.02 -2.04 -1.52 113.55 118.71 3abm h SER 8 Ca -0.43 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3abm h SER 8 Cb 1.15 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3abm h SER 8 CO 0.45 0.03 0.00 -1.84 -1.14 0.00 0.00 176.83 174.33 3abm n GLU 9 N -4.51 0.14 -0.00 3.45 0.00 -1.26 -2.95 120.64 115.50 3abm n GLU 9 Ca -0.01 0.05 0.05 0.00 0.00 0.00 0.00 57.16 57.24 3abm n GLU 9 Cb 0.15 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.36 3abm n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3abm n ASP 10 N -1.42 0.06 -0.34 -1.84 8.00 -0.57 -4.58 116.55 115.86 3abm n ASP 10 Ca 0.09 -1.72 0.05 0.00 0.71 0.00 0.00 54.79 53.91 3abm n ASP 10 Cb 0.27 -0.01 0.20 0.00 -0.02 0.00 0.00 41.12 41.56 3abm n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3abm h TYR 11 N 0.08 1.07 0.00 1.24 -0.00 -1.70 -1.06 116.97 116.60 3abm h TYR 11 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 3abm h TYR 11 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 36.73 36.41 3abm h TYR 11 CO 0.01 0.46 0.00 0.00 -0.00 0.00 0.00 178.16 178.63 3abm n ALA 12 N -2.36 2.48 -2.74 0.10 0.00 -1.26 -4.83 120.51 111.90 3abm n ALA 12 Ca 0.16 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 3abm n ALA 12 Cb 0.29 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 3abm n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3abm s LEU 13 N -1.96 3.67 0.53 0.00 1.43 -0.40 -5.07 118.68 116.87 3abm s LEU 13 Ca 0.38 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.18 3abm s LEU 13 Cb 0.18 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 3abm s LEU 13 CO 0.29 0.16 1.12 -2.65 0.23 0.00 0.00 176.35 175.50 3abm n PRO 14 N 0.39 1.33 -4.43 1.29 -0.02 -1.26 -5.00 135.00 127.29 3abm n PRO 14 Ca -0.09 0.49 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 3abm n PRO 14 Cb 0.52 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 3abm n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3abm s SER 15 N -0.97 2.17 0.20 2.55 1.04 -1.26 -4.87 113.70 112.56 3abm s SER 15 Ca 0.70 -1.47 -0.13 0.00 0.48 0.00 0.00 55.95 55.54 3abm s SER 15 Cb -0.45 0.15 -0.07 0.00 0.10 0.00 0.00 66.02 65.75 3abm s SER 15 CO 0.51 -0.74 0.58 -0.47 0.98 0.00 0.00 173.24 174.10 3abm s TYR 16 N -3.40 3.51 -0.21 5.02 5.04 -1.26 -4.09 117.35 121.96 3abm s TYR 16 Ca 0.33 1.02 -0.19 0.00 -2.44 0.00 0.00 57.07 55.79 3abm s TYR 16 Cb 0.07 -2.35 0.06 0.00 0.35 0.00 0.00 41.96 40.08 3abm s TYR 16 CO 0.15 0.33 0.56 0.14 -1.34 0.00 0.00 175.55 175.38 3abm s VAL 17 N -1.66 -0.00 -0.40 3.14 -7.23 -1.26 -5.07 120.40 107.92 3abm s VAL 17 Ca 0.43 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.47 3abm s VAL 17 Cb -0.13 -0.78 0.02 0.00 0.56 0.00 0.00 36.38 36.05 3abm s VAL 17 CO 0.20 0.00 0.27 -1.81 -0.31 0.00 0.00 175.10 173.45 3abm s ASP 18 N 0.40 5.98 -0.09 4.85 -0.00 -1.26 -4.68 116.67 121.87 3abm s ASP 18 Ca -0.01 -0.92 -0.05 0.00 -0.00 0.00 0.00 52.55 51.58 3abm s ASP 18 Cb -0.04 -2.11 0.04 0.00 -0.00 0.00 0.00 42.92 40.81 3abm s ASP 18 CO -0.01 -0.42 0.22 -0.13 -0.00 0.00 0.00 175.17 174.83 3abm s ARG 19 N 1.64 0.18 0.27 8.23 0.52 -1.26 -5.05 118.95 123.47 3abm s ARG 19 Ca 0.04 0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 55.70 3abm s ARG 19 Cb -0.19 -0.13 0.41 0.00 0.52 0.00 0.00 34.95 35.56 3abm s ARG 19 CO 0.09 -0.16 1.90 0.00 0.02 0.00 0.00 175.30 177.15 3abm h ARG 20 N 7.14 1.15 -0.05 3.54 3.08 -1.97 0.23 114.38 127.50 3abm h ARG 20 Ca -0.41 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3abm h ARG 20 Cb 1.15 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3abm h ARG 20 CO 0.39 0.76 0.00 -0.40 -1.07 0.00 0.00 179.97 179.65 3abm n ASP 21 N -4.47 1.27 -3.18 7.04 5.75 -1.26 -4.26 116.55 117.43 3abm n ASP 21 Ca 0.14 -1.48 -0.20 0.00 -0.01 0.00 0.00 54.79 53.24 3abm n ASP 21 Cb 0.15 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 3abm n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3abm n TYR 22 N 0.01 0.24 0.24 2.11 9.36 0.07 -5.00 117.16 124.19 3abm n TYR 22 Ca 0.19 -3.77 0.10 0.00 3.32 0.00 0.00 57.90 57.74 3abm n TYR 22 Cb 0.30 -0.41 0.63 0.00 -0.63 0.00 0.00 39.34 39.23 3abm n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3abm h PRO 23 N 3.24 0.00 -3.53 2.98 0.13 -1.73 -3.35 132.00 129.73 3abm h PRO 23 Ca 0.10 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.55 3abm h PRO 23 Cb 0.93 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.68 3abm h PRO 23 CO 0.51 0.17 -0.48 -0.51 -0.23 0.00 0.00 178.00 177.45 3abm s LEU 24 N -7.57 4.84 0.94 1.56 1.43 -1.26 -4.98 118.68 113.65 3abm s LEU 24 Ca -0.03 -2.91 -0.12 0.00 -1.03 0.00 0.00 54.13 50.04 3abm s LEU 24 Cb 0.13 -1.76 0.16 0.00 0.03 0.00 0.00 46.19 44.75 3abm s LEU 24 CO 0.62 -0.31 1.09 -2.84 0.23 0.00 0.00 176.35 175.14 3abm s PRO 25 N -0.15 0.85 0.52 1.29 0.02 -1.26 -4.93 135.00 131.34 3abm s PRO 25 Ca 0.17 0.87 0.31 0.00 0.02 0.00 0.00 61.00 62.37 3abm s PRO 25 Cb -0.23 -1.76 1.15 0.00 0.02 0.00 0.00 34.50 33.69 3abm s PRO 25 CO -0.02 -2.54 1.91 -0.44 -0.33 0.00 0.00 177.00 175.58 3abm h ASP 26 N -1.77 0.00 -4.84 2.53 3.32 -1.94 -3.44 116.42 110.29 3abm h ASP 26 Ca -0.51 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.32 3abm h ASP 26 Cb 1.29 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.69 3abm h ASP 26 CO 0.53 0.04 -0.67 0.68 -1.72 0.00 0.00 179.24 178.10 3abm s VAL 27 N -3.60 0.49 0.55 -1.35 -7.23 -1.26 -4.96 120.40 103.05 3abm s VAL 27 Ca 0.02 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.06 3abm s VAL 27 Cb 0.09 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 3abm s VAL 27 CO 0.58 -0.67 1.22 0.00 -0.31 0.00 0.00 175.10 175.92 3abm s ALA 28 N -3.77 2.70 0.16 1.32 0.00 -1.26 -4.76 121.76 116.15 3abm s ALA 28 Ca 0.18 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 3abm s ALA 28 Cb 0.06 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.77 3abm s ALA 28 CO -0.01 -1.07 1.82 1.25 0.00 0.00 0.00 175.76 177.74 3abm h HIS 29 N 1.26 0.54 -3.29 0.00 2.76 -0.87 -3.40 115.15 112.15 3abm h HIS 29 Ca -0.50 0.01 -0.66 0.00 -2.20 0.00 0.00 60.37 57.02 3abm h HIS 29 Cb 1.29 -0.18 -0.30 0.00 1.55 0.00 0.00 27.41 29.77 3abm h HIS 29 CO 0.48 0.33 -0.77 0.08 -1.30 0.00 0.00 177.93 176.75 3abm s VAL 30 N -6.16 2.92 -0.09 5.26 1.01 0.12 -2.68 120.40 120.79 3abm s VAL 30 Ca -0.13 -0.65 0.13 0.00 0.00 0.00 0.00 61.98 61.33 3abm s VAL 30 Cb 0.12 -2.29 -0.19 0.00 0.00 0.00 0.00 36.38 34.01 3abm s VAL 30 CO 0.73 0.47 0.16 2.29 0.00 0.00 0.00 175.10 178.75 3abm n LYS 31 N 4.57 1.26 -3.02 2.72 2.85 -1.26 -4.79 118.16 120.49 3abm n LYS 31 Ca -0.19 -0.06 -0.39 0.00 -1.05 0.00 0.00 58.31 56.62 3abm n LYS 31 Cb 0.51 -1.34 -0.06 0.00 -0.65 0.00 0.00 35.03 33.48 3abm n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3abm s ASN 32 N -4.26 7.32 -0.00 -5.58 0.02 -1.26 -5.06 114.94 106.12 3abm s ASN 32 Ca -0.06 1.57 0.08 0.00 -1.02 0.00 0.00 52.86 53.43 3abm s ASN 32 Cb 0.06 -2.48 -0.02 0.00 0.02 0.00 0.00 41.25 38.83 3abm s ASN 32 CO 0.57 0.20 -0.25 -0.76 0.02 0.00 0.00 177.10 176.88 3abm s LEU 33 N -1.01 2.08 1.03 0.60 1.43 -1.26 -5.08 118.68 116.46 3abm s LEU 33 Ca 0.35 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 3abm s LEU 33 Cb -0.22 -1.25 0.22 0.00 0.03 0.00 0.00 46.19 44.96 3abm s LEU 33 CO 0.25 0.29 1.23 -0.94 0.23 0.00 0.00 176.35 177.41 3abm s SER 34 N -0.74 2.52 0.19 2.29 1.04 -1.26 -4.67 113.70 113.06 3abm s SER 34 Ca 0.10 0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.88 3abm s SER 34 Cb -0.10 -0.65 0.15 0.00 0.10 0.00 0.00 66.02 65.53 3abm s SER 34 CO -0.00 -3.12 1.79 0.00 0.98 0.00 0.00 173.24 172.88 3abm h ALA 35 N -1.90 0.69 -0.04 5.32 0.00 -2.00 0.97 119.26 122.29 3abm h ALA 35 Ca -0.45 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 3abm h ALA 35 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3abm h ALA 35 CO 0.40 -0.07 -0.54 0.66 0.00 0.00 0.00 179.25 179.70 3abm h SER 36 N 0.52 0.13 -0.25 0.00 4.64 -2.00 -2.07 113.55 114.53 3abm h SER 36 Ca 0.24 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 3abm h SER 36 Cb 0.15 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3abm h SER 36 CO -0.16 0.65 -0.29 1.56 -0.87 0.00 0.00 176.83 177.72 3abm h GLN 37 N 0.09 0.75 -0.82 4.77 4.20 -1.81 0.49 115.11 122.77 3abm h GLN 37 Ca -0.00 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.39 3abm h GLN 37 Cb 0.99 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 3abm h GLN 37 CO 0.08 0.94 0.54 0.87 -0.67 0.00 0.00 178.83 180.59 3abm h LYS 38 N 0.64 1.07 -0.48 1.46 1.57 -0.62 -0.95 116.57 119.27 3abm h LYS 38 Ca 0.08 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3abm h LYS 38 Cb 0.81 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3abm h LYS 38 CO 0.07 0.71 -0.05 0.00 -0.57 0.00 0.00 179.45 179.61 3abm h ALA 39 N 1.31 1.02 -0.66 3.86 0.00 -0.87 -2.35 119.26 121.57 3abm h ALA 39 Ca 0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3abm h ALA 39 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3abm h ALA 39 CO -0.07 0.60 0.34 1.25 0.00 0.00 0.00 179.25 181.37 3abm h LEU 40 N 0.76 0.84 -1.77 0.00 5.85 -0.40 -0.36 115.31 120.22 3abm h LEU 40 Ca 0.14 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3abm h LEU 40 Cb 0.52 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3abm h LEU 40 CO 0.03 0.71 -0.12 0.11 -0.34 0.00 0.00 178.44 178.83 3abm h LYS 41 N 0.91 0.00 0.00 1.25 1.79 -0.86 -1.06 116.57 118.59 3abm h LYS 41 Ca 0.23 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.49 3abm h LYS 41 Cb 0.07 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3abm h LYS 41 CO -0.03 0.12 -0.83 0.93 -1.08 0.00 0.00 179.45 178.56 3abm h GLU 42 N 0.00 0.56 -0.00 3.15 4.39 -0.81 -3.20 114.58 118.67 3abm h GLU 42 Ca -0.00 -0.60 -0.00 0.00 0.34 0.00 0.00 59.36 59.09 3abm h GLU 42 Cb 0.42 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3abm h GLU 42 CO 0.02 1.22 -0.00 -0.22 -1.16 0.00 0.00 179.01 178.87 3abm h LYS 43 N 0.14 0.00 0.00 2.33 3.64 -0.59 -0.64 116.57 121.46 3abm h LYS 43 Ca -0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3abm h LYS 43 Cb 1.52 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 3abm h LYS 43 CO 0.16 0.00 0.00 1.49 -2.27 0.00 0.00 179.45 178.84 3abm h GLU 44 N 0.00 0.00 0.00 1.90 4.81 -1.20 -1.71 114.58 118.38 3abm h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3abm h GLU 44 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3abm h GLU 44 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 3abm n LYS 45 N -2.85 0.12 -2.89 1.92 5.02 -0.25 -4.80 118.16 114.43 3abm n LYS 45 Ca 0.00 0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 56.25 3abm n LYS 45 Cb 0.24 -1.65 0.06 0.00 -0.02 0.00 0.00 35.03 33.66 3abm n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3abm s ALA 46 N -3.07 4.38 0.10 7.82 0.00 -0.65 -5.03 121.76 125.31 3abm s ALA 46 Ca 0.11 -1.87 -0.36 0.00 0.00 0.00 0.00 51.96 49.85 3abm s ALA 46 Cb 0.14 -1.68 -0.17 0.00 0.00 0.00 0.00 23.12 21.41 3abm s ALA 46 CO 0.50 -0.84 1.15 0.45 0.00 0.00 0.00 175.76 177.02 3abm n SER 47 N -2.29 0.91 0.17 0.00 2.88 -1.26 -4.84 113.62 109.19 3abm n SER 47 Ca 0.13 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.94 3abm n SER 47 Cb 0.61 -1.11 0.47 0.00 -0.75 0.00 0.00 64.21 63.42 3abm n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3abm h TRP 48 N 3.50 0.00 0.00 0.66 6.55 -1.89 -1.52 115.95 123.25 3abm h TRP 48 Ca -0.46 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.38 3abm h TRP 48 Cb 1.37 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.67 3abm h TRP 48 CO 0.56 0.00 -0.03 0.77 -1.05 0.00 0.00 178.44 178.69 3abm h SER 49 N 0.00 0.00 0.57 -3.49 0.02 -1.99 -2.08 113.55 106.58 3abm h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3abm h SER 49 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3abm h SER 49 CO 0.00 0.03 -0.38 -1.20 -1.14 0.00 0.00 176.83 174.14 3abm n SER 50 N -3.45 0.44 -4.76 3.07 7.64 -0.57 -4.84 113.62 111.14 3abm n SER 50 Ca -0.02 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.29 3abm n SER 50 Cb 0.13 0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 3abm n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3abm s LEU 51 N -2.95 4.51 0.76 -3.43 1.02 -0.78 -5.06 118.68 112.75 3abm s LEU 51 Ca 0.13 2.35 -0.12 0.00 0.02 0.00 0.00 54.13 56.51 3abm s LEU 51 Cb 0.18 -3.63 0.05 0.00 0.02 0.00 0.00 46.19 42.81 3abm s LEU 51 CO 0.65 -0.27 1.13 -0.94 0.02 0.00 0.00 176.35 176.94 3abm s SER 52 N -0.59 4.91 0.13 2.29 1.04 -1.26 -4.84 113.70 115.38 3abm s SER 52 Ca 0.47 1.02 -0.19 0.00 0.48 0.00 0.00 55.95 57.73 3abm s SER 52 Cb -0.34 -1.70 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 3abm s SER 52 CO 0.43 -1.67 1.73 0.40 0.98 0.00 0.00 173.24 175.11 3abm h ILE 53 N -0.89 0.87 -0.57 -1.02 1.08 -1.98 0.55 117.51 115.56 3abm h ILE 53 Ca -0.46 -0.04 0.06 0.00 -0.39 0.00 0.00 64.86 64.03 3abm h ILE 53 Cb 1.29 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 35.74 3abm h ILE 53 CO 0.64 0.02 0.28 0.44 -0.69 0.00 0.00 178.15 178.84 3abm h ASP 54 N 0.11 0.39 -0.67 1.72 3.45 -1.99 0.40 116.42 119.83 3abm h ASP 54 Ca 0.11 0.04 0.03 0.00 0.43 0.00 0.00 57.03 57.63 3abm h ASP 54 Cb 0.12 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 38.81 3abm h ASP 54 CO -0.16 0.26 0.42 -0.33 -1.57 0.00 0.00 179.24 177.86 3abm h GLU 55 N 0.53 0.80 -0.50 3.56 5.08 -1.72 -0.87 114.58 121.46 3abm h GLU 55 Ca 0.26 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3abm h GLU 55 Cb 0.19 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3abm h GLU 55 CO -0.19 0.53 0.30 0.87 -1.00 0.00 0.00 179.01 179.52 3abm h LYS 56 N 0.82 0.67 -0.62 2.33 1.57 0.10 -0.30 116.57 121.15 3abm h LYS 56 Ca 0.27 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3abm h LYS 56 Cb 0.02 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3abm h LYS 56 CO -0.11 0.49 0.39 0.28 -0.57 0.00 0.00 179.45 179.94 3abm h VAL 57 N 0.66 1.11 -0.53 0.50 2.07 -0.72 -0.92 116.25 118.42 3abm h VAL 57 Ca 0.18 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 3abm h VAL 57 Cb -0.01 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3abm h VAL 57 CO -0.03 0.14 -0.10 -0.08 0.02 0.00 0.00 177.57 177.52 3abm h GLU 58 N 0.78 0.98 -0.87 1.57 4.81 -0.82 -0.10 114.58 120.93 3abm h GLU 58 Ca 0.24 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3abm h GLU 58 Cb -0.02 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3abm h GLU 58 CO -0.08 1.02 0.51 -0.07 -0.73 0.00 0.00 179.01 179.66 3abm h LEU 59 N 0.87 1.06 -0.08 1.64 3.38 -0.60 -2.32 115.31 119.27 3abm h LEU 59 Ca 0.14 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3abm h LEU 59 Cb 0.65 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3abm h LEU 59 CO 0.05 0.83 0.00 0.22 0.09 0.00 0.00 178.44 179.63 3abm h TYR 60 N 1.21 -0.00 0.00 1.13 3.20 -0.67 -2.75 116.97 119.09 3abm h TYR 60 Ca 0.31 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3abm h TYR 60 Cb -0.02 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3abm h TYR 60 CO 0.01 -0.01 0.00 0.00 -1.64 0.00 0.00 178.16 176.52 3abm h ARG 61 N 0.03 0.00 0.21 1.82 2.47 -0.85 0.43 114.38 118.49 3abm h ARG 61 Ca 0.04 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.42 3abm h ARG 61 Cb 0.04 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3abm h ARG 61 CO -0.06 0.00 -1.62 -0.07 0.56 0.00 0.00 179.97 178.78 3abm h LEU 62 N 0.00 0.69 -0.22 3.04 3.38 -1.27 -3.35 115.31 117.58 3abm h LEU 62 Ca 0.00 -0.88 -0.22 0.00 0.09 0.00 0.00 57.88 56.87 3abm h LEU 62 Cb 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3abm h LEU 62 CO 0.00 1.72 -0.87 0.50 0.09 0.00 0.00 178.44 179.88 3abm h LYS 63 N 0.12 0.50 -4.95 1.13 1.63 -1.17 0.34 116.57 114.16 3abm h LYS 63 Ca -0.30 -0.48 -0.33 0.00 -0.85 0.00 0.00 60.65 58.70 3abm h LYS 63 Cb 2.12 0.12 -0.19 0.00 -0.60 0.00 0.00 32.23 33.68 3abm h LYS 63 CO 0.22 1.11 -0.74 -0.06 -3.45 0.00 0.00 179.45 176.53 3abm s PHE 64 N -3.44 1.00 -0.07 1.91 0.40 0.11 -0.93 117.98 116.96 3abm s PHE 64 Ca -0.07 -0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 55.64 3abm s PHE 64 Cb 0.09 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 43.04 3abm s PHE 64 CO 0.87 -0.01 -0.08 -0.22 0.70 0.00 0.00 175.22 176.48 3abm h LYS 65 N 3.92 0.00 -6.36 0.44 3.64 -1.85 -3.38 116.57 112.98 3abm h LYS 65 Ca -0.38 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.33 3abm h LYS 65 Cb 1.19 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.85 3abm h LYS 65 CO 0.48 0.00 -0.71 -1.21 -2.27 0.00 0.00 179.45 175.74 3abm s GLU 66 N -1.60 2.45 1.03 1.90 2.02 -1.26 -4.97 118.70 118.27 3abm s GLU 66 Ca -0.06 -0.81 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 3abm s GLU 66 Cb 0.01 -2.46 0.20 0.00 0.10 0.00 0.00 34.13 31.98 3abm s GLU 66 CO 0.10 0.57 1.14 -1.54 0.02 0.00 0.00 175.26 175.55 3abm s SER 67 N -1.73 2.43 0.12 -0.19 1.04 -1.26 -4.76 113.70 109.35 3abm s SER 67 Ca 0.19 0.82 -0.18 0.00 0.48 0.00 0.00 55.95 57.26 3abm s SER 67 Cb -0.11 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 3abm s SER 67 CO 0.11 -3.21 1.71 -0.26 0.98 0.00 0.00 173.24 172.57 3abm h PHE 68 N -1.95 0.43 -0.83 5.02 -1.00 -2.00 0.11 116.94 116.72 3abm h PHE 68 Ca -0.49 -0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.35 3abm h PHE 68 Cb 1.31 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 40.67 3abm h PHE 68 CO -0.63 0.37 0.49 0.00 -1.61 0.00 0.00 178.31 176.93 3abm h ALA 69 N 1.02 1.17 -0.10 2.45 0.00 -1.96 -0.51 119.26 121.32 3abm h ALA 69 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3abm h ALA 69 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3abm h ALA 69 CO -0.02 0.16 0.03 0.93 0.00 0.00 0.00 179.25 180.36 3abm h GLU 70 N 0.85 0.15 0.00 0.00 5.08 -1.87 -3.13 114.58 115.67 3abm h GLU 70 Ca 0.39 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3abm h GLU 70 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3abm h GLU 70 CO -0.22 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 3abm h MET 71 N -0.02 0.00 -0.50 2.33 -0.00 -0.32 -2.95 114.93 113.47 3abm h MET 71 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 3abm h MET 71 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 3abm h MET 71 CO -0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 177.00 3abm n ASN 72 N -2.90 3.59 -4.81 -0.10 3.02 -0.24 -5.00 115.26 108.83 3abm n ASN 72 Ca 0.02 -1.98 -0.32 0.00 -0.03 0.00 0.00 54.58 52.26 3abm n ASN 72 Cb 0.33 -0.33 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3abm n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3abm s ARG 73 N -1.27 3.26 0.42 3.52 1.70 -1.12 -5.02 118.95 120.45 3abm s ARG 73 Ca 0.41 1.15 0.02 0.00 -0.47 0.00 0.00 55.73 56.84 3abm s ARG 73 Cb 0.23 -2.03 -0.00 0.00 -0.57 0.00 0.00 34.95 32.58 3abm s ARG 73 CO 0.31 -0.85 0.62 -1.54 -1.08 0.00 0.00 175.30 172.76 3abm s SER 74 N -2.99 5.85 0.34 -2.89 1.04 -1.26 -5.10 113.70 108.68 3abm s SER 74 Ca 0.62 0.15 0.04 0.00 0.48 0.00 0.00 55.95 57.24 3abm s SER 74 Cb -0.15 -1.42 -0.06 0.00 0.10 0.00 0.00 66.02 64.49 3abm s SER 74 CO 0.40 -0.65 0.07 0.42 0.98 0.00 0.00 173.24 174.46 3abm s THR 75 N -2.46 1.07 -1.39 2.02 -4.23 -1.26 -5.03 115.64 104.36 3abm s THR 75 Ca 0.48 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.09 3abm s THR 75 Cb -0.10 -2.71 0.38 0.00 1.34 0.00 0.00 72.50 71.41 3abm s THR 75 CO 0.36 0.00 1.23 0.59 -0.54 0.00 0.00 174.62 176.26 3abm n ASN 76 N -0.78 2.69 0.01 3.99 3.02 -1.26 -4.51 115.26 118.42 3abm n ASN 76 Ca -0.03 -2.21 0.18 0.00 -0.03 0.00 0.00 54.58 52.48 3abm n ASN 76 Cb 0.66 -0.41 0.65 0.00 -0.61 0.00 0.00 39.78 40.08 3abm n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3abm h GLU 77 N 2.19 0.07 -0.19 3.52 4.81 -2.01 -2.01 114.58 120.96 3abm h GLU 77 Ca 0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3abm h GLU 77 Cb 0.85 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3abm h GLU 77 CO 0.11 0.05 -0.15 0.11 -0.73 0.00 0.00 179.01 178.40 3abm h TRP 78 N 0.07 0.33 -0.63 0.92 5.08 -2.00 -2.09 115.95 117.63 3abm h TRP 78 Ca 0.23 -0.04 -0.04 0.00 1.08 0.00 0.00 58.89 60.12 3abm h TRP 78 Cb 0.84 -0.09 -0.03 0.00 -3.00 0.00 0.00 29.16 26.88 3abm h TRP 78 CO -0.00 0.45 0.26 0.87 -1.28 0.00 0.00 178.44 178.74 3abm h LYS 79 N 0.29 0.95 -0.33 0.12 1.57 -1.72 -1.21 116.57 116.24 3abm h LYS 79 Ca 0.06 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3abm h LYS 79 Cb 0.44 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3abm h LYS 79 CO 0.03 0.80 -0.10 1.15 -0.57 0.00 0.00 179.45 180.75 3abm h THR 80 N 0.89 1.28 0.04 -0.16 2.02 -1.55 -0.13 112.91 115.30 3abm h THR 80 Ca 0.21 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 3abm h THR 80 Cb 0.20 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3abm h THR 80 CO -0.02 0.38 -0.02 0.58 0.37 0.00 0.00 175.52 176.81 3abm h VAL 81 N 0.42 1.18 -0.57 3.16 2.07 -1.13 0.47 116.25 121.85 3abm h VAL 81 Ca 0.08 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 3abm h VAL 81 Cb 0.61 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3abm h VAL 81 CO 0.04 0.18 0.03 0.58 0.02 0.00 0.00 177.57 178.42 3abm h VAL 82 N -0.37 1.26 -0.29 2.57 2.07 -1.25 0.11 116.25 120.36 3abm h VAL 82 Ca -0.01 -1.07 -0.18 0.00 0.82 0.00 0.00 66.70 66.26 3abm h VAL 82 Cb 0.33 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3abm h VAL 82 CO 0.01 0.39 -0.53 1.23 0.02 0.00 0.00 177.57 178.69 3abm h GLY 83 N 0.86 0.95 0.90 2.17 0.00 -0.99 -2.13 103.07 104.83 3abm h GLY 83 Ca 0.16 -1.11 -0.02 0.00 0.00 0.00 0.00 47.33 46.36 3abm h GLY 83 CO 0.02 0.99 0.09 0.00 0.00 0.00 0.00 176.54 177.64 3abm h ALA 84 N 0.68 0.39 -0.39 3.60 0.00 -0.64 -1.03 119.26 121.87 3abm h ALA 84 Ca 0.02 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3abm h ALA 84 Cb 1.14 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3abm h ALA 84 CO 0.12 0.03 0.09 0.00 0.00 0.00 0.00 179.25 179.49 3abm h ALA 85 N 0.92 0.43 -0.97 0.00 0.00 -0.65 -0.46 119.26 118.53 3abm h ALA 85 Ca 0.09 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3abm h ALA 85 Cb 0.25 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3abm h ALA 85 CO -0.00 -0.30 0.64 0.52 0.00 0.00 0.00 179.25 180.10 3abm h MET 86 N 0.23 1.21 -0.56 0.00 2.07 -1.21 0.47 114.93 117.14 3abm h MET 86 Ca 0.19 -0.07 -0.05 0.00 -2.07 0.00 0.00 59.70 57.70 3abm h MET 86 Cb 0.21 -0.27 -0.02 0.00 -1.87 0.00 0.00 31.60 29.64 3abm h MET 86 CO -0.23 0.80 0.17 0.35 1.07 0.00 0.00 176.91 179.08 3abm h PHE 87 N 1.25 0.91 0.00 -0.22 3.57 -0.29 0.37 116.94 122.53 3abm h PHE 87 Ca 0.38 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 3abm h PHE 87 Cb -0.03 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 3abm h PHE 87 CO -0.00 0.76 -0.51 0.74 -2.23 0.00 0.00 178.31 177.08 3abm h PHE 88 N 0.79 0.00 -0.07 0.41 -1.00 -0.29 0.76 116.94 117.53 3abm h PHE 88 Ca 0.18 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.76 3abm h PHE 88 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 3abm h PHE 88 CO 0.02 0.51 -0.80 0.82 -1.61 0.00 0.00 178.31 177.24 3abm h ILE 89 N 0.00 1.36 -0.42 -0.55 2.04 -0.70 -0.70 117.51 118.54 3abm h ILE 89 Ca -0.01 -2.19 -0.04 0.00 1.00 0.00 0.00 64.86 63.62 3abm h ILE 89 Cb 1.22 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 3abm h ILE 89 CO 0.07 0.66 0.11 1.23 0.00 0.00 0.00 178.15 180.22 3abm h GLY 90 N 1.11 0.72 0.82 5.37 0.00 0.22 -2.26 103.07 109.05 3abm h GLY 90 Ca -0.05 -0.45 0.10 0.00 0.00 0.00 0.00 47.33 46.92 3abm h GLY 90 CO 0.14 0.42 0.52 -2.75 0.00 0.00 0.00 176.54 174.88 3abm h PHE 91 N 0.55 0.80 -0.69 5.60 3.57 -0.59 -1.22 116.94 124.96 3abm h PHE 91 Ca 0.13 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.73 3abm h PHE 91 Cb 0.31 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3abm h PHE 91 CO 0.02 0.37 0.46 1.15 -2.23 0.00 0.00 178.31 178.08 3abm h THR 92 N 0.74 0.97 0.00 4.41 2.02 -0.51 -1.16 112.91 119.38 3abm h THR 92 Ca 0.37 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3abm h THR 92 Cb 0.44 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3abm h THR 92 CO -0.14 0.12 -0.13 0.00 0.37 0.00 0.00 175.52 175.74 3abm h ALA 93 N 1.64 1.47 -0.27 6.16 0.00 -1.13 -0.73 119.26 126.39 3abm h ALA 93 Ca 0.31 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3abm h ALA 93 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3abm h ALA 93 CO -0.10 0.16 -0.41 -0.07 0.00 0.00 0.00 179.25 178.83 3abm h LEU 94 N 0.00 0.70 -1.10 0.00 3.38 -1.18 -0.06 115.31 117.05 3abm h LEU 94 Ca -0.00 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3abm h LEU 94 Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3abm h LEU 94 CO 0.02 1.03 0.26 -0.07 0.09 0.00 0.00 178.44 179.77 3abm h LEU 95 N 0.54 0.82 -0.23 1.67 3.38 -1.06 -1.25 115.31 119.18 3abm h LEU 95 Ca 0.04 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 3abm h LEU 95 Cb 0.94 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3abm h LEU 95 CO 0.08 0.72 -0.92 -0.07 0.09 0.00 0.00 178.44 178.35 3abm h LEU 96 N 0.89 0.26 -0.06 1.67 3.38 -0.82 -1.72 115.31 118.91 3abm h LEU 96 Ca 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3abm h LEU 96 Cb 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3abm h LEU 96 CO -0.02 1.04 0.03 0.40 0.09 0.00 0.00 178.44 179.98 3abm h ILE 97 N 0.10 1.11 -0.58 1.22 2.04 -0.67 -1.39 117.51 119.34 3abm h ILE 97 Ca -0.05 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3abm h ILE 97 Cb 1.56 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 3abm h ILE 97 CO 0.14 0.09 0.33 -0.25 0.00 0.00 0.00 178.15 178.47 3abm h TRP 98 N -0.03 0.62 -0.76 1.37 7.01 -1.19 -1.91 115.95 121.07 3abm h TRP 98 Ca 0.02 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 3abm h TRP 98 Cb 0.12 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 3abm h TRP 98 CO -0.03 0.33 0.42 1.49 -2.79 0.00 0.00 178.44 177.86 3abm h GLU 99 N 0.65 1.05 -0.01 2.65 4.81 -1.14 0.14 114.58 122.72 3abm h GLU 99 Ca 0.24 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3abm h GLU 99 Cb 0.07 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3abm h GLU 99 CO -0.13 0.76 -0.41 -0.22 -0.73 0.00 0.00 179.01 178.28 3abm h LYS 100 N 1.06 0.02 0.15 1.92 1.63 -0.67 0.14 116.57 120.82 3abm h LYS 100 Ca 0.27 -0.01 -0.34 0.00 -0.85 0.00 0.00 60.65 59.72 3abm h LYS 100 Cb 0.01 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3abm h LYS 100 CO -0.04 0.43 -1.76 1.25 -3.45 0.00 0.00 179.45 175.88 3abm h HIS 101 N 0.02 0.59 0.00 1.91 2.76 -0.76 -3.35 115.15 116.31 3abm h HIS 101 Ca -0.00 -0.43 -0.05 0.00 -2.20 0.00 0.00 60.37 57.69 3abm h HIS 101 Cb 0.74 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3abm h HIS 101 CO 0.00 1.69 -1.84 0.66 -1.30 0.00 0.00 177.93 177.14 3abm n TYR 102 N -3.64 0.00 -0.09 5.26 4.01 0.42 -4.76 117.16 118.36 3abm n TYR 102 Ca -0.27 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.28 3abm n TYR 102 Cb 1.03 -0.46 -0.07 0.00 -0.31 0.00 0.00 39.34 39.53 3abm n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3abm n VAL 103 N -2.19 0.99 -2.32 -0.72 0.31 0.39 -4.99 118.33 109.81 3abm n VAL 103 Ca -0.07 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 3abm n VAL 103 Cb 0.55 -1.70 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 3abm n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3abm s TYR 104 N -2.33 3.25 0.24 3.52 4.12 -0.56 -5.03 117.35 120.56 3abm s TYR 104 Ca -0.25 1.11 -0.03 0.00 0.02 0.00 0.00 57.07 57.92 3abm s TYR 104 Cb 0.09 -3.54 0.05 0.00 -1.52 0.00 0.00 41.96 37.05 3abm s TYR 104 CO 0.32 -1.80 0.33 0.41 0.02 0.00 0.00 175.55 174.84 3abm n GLY 105 N 3.39 -0.40 3.75 0.71 0.00 -1.26 -4.78 105.19 106.60 3abm n GLY 105 Ca 0.11 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 3abm n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3abm s PRO 106 N -3.53 3.25 0.90 1.61 0.04 -1.26 -5.00 135.00 131.01 3abm s PRO 106 Ca 0.20 2.12 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 3abm s PRO 106 Cb -0.01 -2.27 0.15 0.00 0.04 0.00 0.00 34.50 32.42 3abm s PRO 106 CO 0.14 -1.07 1.26 0.96 0.04 0.00 0.00 177.00 178.33 3abm s ILE 107 N -1.37 2.00 0.82 0.56 -4.36 -1.26 -4.99 121.20 112.60 3abm s ILE 107 Ca 0.70 0.00 -0.12 0.00 -0.26 0.00 0.00 60.65 60.97 3abm s ILE 107 Cb -0.37 -2.99 0.09 0.00 1.25 0.00 0.00 42.46 40.43 3abm s ILE 107 CO 0.44 0.00 1.16 -2.84 0.24 0.00 0.00 174.94 173.94 3abm s PRO 108 N -5.75 1.66 0.30 0.37 0.02 -1.26 -4.86 135.00 125.47 3abm s PRO 108 Ca 0.69 1.57 0.25 0.00 0.02 0.00 0.00 61.00 63.53 3abm s PRO 108 Cb -0.07 -1.80 1.01 0.00 0.02 0.00 0.00 34.50 33.66 3abm s PRO 108 CO 0.51 -2.16 1.76 1.12 -0.33 0.00 0.00 177.00 177.90 3abm h HIS 109 N -1.14 0.00 0.00 6.54 2.07 -2.00 -2.27 115.15 118.35 3abm h HIS 109 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3abm h HIS 109 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 3abm h HIS 109 CO 0.50 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.61 3abm n THR 110 N -2.37 0.34 0.98 6.12 -2.24 -1.26 -1.44 114.28 114.40 3abm n THR 110 Ca 0.02 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 3abm n THR 110 Cb 0.27 -0.70 0.30 0.00 -2.10 0.00 0.00 70.33 68.09 3abm n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3abm n PHE 111 N -1.37 0.21 -1.88 4.78 3.01 -0.85 -4.22 117.46 117.14 3abm n PHE 111 Ca 0.09 -0.10 -0.36 0.00 1.01 0.00 0.00 57.45 58.08 3abm n PHE 111 Cb 0.21 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.73 3abm n PHE 111 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3abm s GLU 112 N -1.79 2.76 0.23 -1.08 2.02 -0.52 -4.78 118.70 115.54 3abm s GLU 112 Ca 0.34 1.92 -0.07 0.00 0.02 0.00 0.00 54.97 57.18 3abm s GLU 112 Cb 0.20 -1.89 0.21 0.00 0.10 0.00 0.00 34.13 32.75 3abm s GLU 112 CO 0.30 -1.40 1.84 1.49 0.02 0.00 0.00 175.26 177.51 3abm h GLU 113 N 0.69 1.24 -0.31 1.61 4.81 -1.92 -1.38 114.58 119.31 3abm h GLU 113 Ca -0.51 -0.17 -0.18 0.00 -0.13 0.00 0.00 59.36 58.38 3abm h GLU 113 Cb 1.31 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 3abm h GLU 113 CO 0.54 0.93 -0.50 1.49 -0.73 0.00 0.00 179.01 180.74 3abm h GLU 114 N 1.23 0.89 -0.43 1.92 4.81 -1.96 -1.87 114.58 119.17 3abm h GLU 114 Ca 0.30 -0.53 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3abm h GLU 114 Cb 0.08 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3abm h GLU 114 CO -0.04 1.17 0.20 2.35 -0.73 0.00 0.00 179.01 181.96 3abm h TRP 115 N 0.69 0.36 -0.53 0.92 2.91 -1.72 -1.59 115.95 116.99 3abm h TRP 115 Ca 0.03 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.10 3abm h TRP 115 Cb 1.11 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.62 3abm h TRP 115 CO 0.07 0.17 0.30 0.28 -1.03 0.00 0.00 178.44 178.23 3abm h VAL 116 N 0.40 1.03 -0.64 2.65 2.07 -1.18 0.11 116.25 120.68 3abm h VAL 116 Ca 0.19 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3abm h VAL 116 Cb 0.13 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3abm h VAL 116 CO -0.16 0.11 0.40 0.00 0.02 0.00 0.00 177.57 177.94 3abm h ALA 117 N 1.25 0.84 -0.65 1.67 0.00 -1.11 0.22 119.26 121.47 3abm h ALA 117 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3abm h ALA 117 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3abm h ALA 117 CO -0.11 0.15 0.12 0.87 0.00 0.00 0.00 179.25 180.28 3abm h LYS 118 N 0.78 1.07 -0.32 0.00 1.57 -1.03 -2.13 116.57 116.51 3abm h LYS 118 Ca 0.26 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3abm h LYS 118 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3abm h LYS 118 CO -0.10 0.98 -0.19 0.37 -0.57 0.00 0.00 179.45 179.94 3abm h GLN 119 N 0.99 0.69 0.05 3.15 4.15 -0.56 -1.53 115.11 122.05 3abm h GLN 119 Ca 0.20 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3abm h GLN 119 Cb 0.42 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3abm h GLN 119 CO 0.01 0.91 -0.06 1.15 -1.93 0.00 0.00 178.83 178.91 3abm h THR 120 N 0.45 0.85 -0.50 2.39 2.02 -0.59 -0.37 112.91 117.15 3abm h THR 120 Ca 0.07 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.35 3abm h THR 120 Cb 0.73 0.85 -0.10 0.00 -1.74 0.00 0.00 68.15 67.89 3abm h THR 120 CO 0.05 0.00 -0.20 0.50 0.37 0.00 0.00 175.52 176.24 3abm h LYS 121 N -0.14 -0.09 -0.85 6.66 3.64 -1.14 -0.90 116.57 123.75 3abm h LYS 121 Ca 0.01 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3abm h LYS 121 Cb 0.14 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3abm h LYS 121 CO -0.03 -0.06 0.56 -0.09 -2.27 0.00 0.00 179.45 177.57 3abm h ARG 122 N -0.09 1.13 -0.50 1.90 2.43 -1.06 0.18 114.38 118.37 3abm h ARG 122 Ca 0.23 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 3abm h ARG 122 Cb 0.46 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3abm h ARG 122 CO -0.56 0.75 -0.09 0.52 -1.51 0.00 0.00 179.97 179.07 3abm h MET 123 N 1.16 0.92 -0.53 0.20 2.86 -0.72 -0.03 114.93 118.79 3abm h MET 123 Ca 0.31 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3abm h MET 123 Cb -0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 3abm h MET 123 CO -0.07 0.97 0.26 -0.07 1.06 0.00 0.00 176.91 179.06 3abm h LEU 124 N 0.82 0.66 -0.31 1.22 3.38 -0.11 0.12 115.31 121.08 3abm h LEU 124 Ca 0.14 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 3abm h LEU 124 Cb 0.62 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3abm h LEU 124 CO 0.04 0.56 -0.83 0.44 0.09 0.00 0.00 178.44 178.73 3abm h ASP 125 N 0.74 0.39 -0.13 -0.43 3.45 -0.31 -1.87 116.42 118.27 3abm h ASP 125 Ca 0.19 -0.29 0.00 0.00 0.43 0.00 0.00 57.03 57.35 3abm h ASP 125 Cb 0.07 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3abm h ASP 125 CO -0.03 1.06 0.00 1.15 -1.57 0.00 0.00 179.24 179.86 3abm n MET 126 N -3.75 1.47 -3.50 3.56 0.00 -0.06 -4.94 117.12 109.91 3abm n MET 126 Ca -0.05 -0.71 -0.19 0.00 0.00 0.00 0.00 57.70 56.75 3abm n MET 126 Cb 0.77 -1.32 0.08 0.00 0.00 0.00 0.00 33.22 32.76 3abm n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3abm n LYS 127 N -0.04 -6.79 -1.69 3.17 5.02 -0.54 -4.91 118.16 112.38 3abm n LYS 127 Ca 0.14 0.82 -0.45 0.00 -2.02 0.00 0.00 58.31 56.80 3abm n LYS 127 Cb 0.22 -5.82 -0.04 0.00 -0.02 0.00 0.00 35.03 29.38 3abm n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3abm n VAL 128 N -4.35 0.12 -3.50 -0.18 0.31 0.29 -3.66 118.33 107.36 3abm n VAL 128 Ca -0.22 -0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 63.83 3abm n VAL 128 Cb 0.64 -1.77 0.02 0.00 -0.91 0.00 0.00 33.84 31.82 3abm n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abm n ALA 129 N 4.22 -2.60 1.03 3.52 0.00 -1.26 -0.12 120.51 125.31 3abm n ALA 129 Ca 0.17 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.89 3abm n ALA 129 Cb 0.32 -1.73 0.14 0.00 0.00 0.00 0.00 19.45 18.17 3abm n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3abm n PRO 130 N -1.33 0.20 -0.05 0.00 -0.04 -1.24 -0.77 135.00 131.76 3abm n PRO 130 Ca -0.15 -0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 62.98 3abm n PRO 130 Cb 0.65 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 3abm n PRO 130 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3abm h ILE 131 N 0.33 1.12 0.00 0.52 5.03 -1.92 -3.28 117.51 119.31 3abm h ILE 131 Ca 0.00 -2.30 0.00 0.00 -0.12 0.00 0.00 64.86 62.44 3abm h ILE 131 Cb 0.52 2.64 0.00 0.00 -3.03 0.00 0.00 36.82 36.94 3abm h ILE 131 CO 0.00 0.53 0.00 0.00 -0.68 0.00 0.00 178.15 178.00 3abm n GLN 132 N -4.25 0.00 -0.05 2.37 6.02 -1.26 -4.82 117.38 115.39 3abm n GLN 132 Ca -0.25 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.60 3abm n GLN 132 Cb 0.73 -0.42 -0.08 0.00 1.02 0.00 0.00 30.24 31.50 3abm n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3abm h GLY 133 N 0.00 0.44 0.00 1.08 0.00 -1.88 -3.43 103.07 99.29 3abm h GLY 133 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3abm h GLY 133 CO 0.00 0.46 0.00 0.33 0.00 0.00 0.00 176.54 177.33 3abm n PHE 134 N -4.46 -0.59 0.28 5.60 7.35 0.05 -4.87 117.46 120.83 3abm n PHE 134 Ca -0.07 0.06 0.16 0.00 -0.76 0.00 0.00 57.45 56.84 3abm n PHE 134 Cb 0.44 0.56 0.80 0.00 0.35 0.00 0.00 39.48 41.62 3abm n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3abm h SER 135 N 0.00 0.00 0.16 -2.13 0.02 0.16 0.47 113.55 112.23 3abm h SER 135 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3abm h SER 135 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3abm h SER 135 CO 0.00 0.07 -0.00 0.00 -1.14 0.00 0.00 176.83 175.76 3abm h ALA 136 N 1.93 1.00 -0.22 3.77 0.00 -1.56 -0.60 119.26 123.58 3abm h ALA 136 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3abm h ALA 136 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3abm h ALA 136 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 3abm n LYS 137 N -3.09 2.18 -4.09 0.00 5.02 0.16 -4.87 118.16 113.48 3abm n LYS 137 Ca -0.02 -1.77 -0.35 0.00 -2.02 0.00 0.00 58.31 54.15 3abm n LYS 137 Cb 0.11 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.58 3abm n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3abm s TRP 138 N -1.72 3.37 -0.40 2.13 -0.11 -0.24 -1.02 118.94 120.95 3abm s TRP 138 Ca 0.35 0.32 -0.12 0.00 1.22 0.00 0.00 56.10 57.87 3abm s TRP 138 Cb 0.21 -1.82 0.04 0.00 -1.50 0.00 0.00 33.47 30.40 3abm s TRP 138 CO 0.30 0.60 0.26 0.34 -4.62 0.00 0.00 176.95 173.82 3abm s ASP 139 N -1.31 5.83 0.36 5.86 -1.08 0.15 -4.75 116.67 121.73 3abm s ASP 139 Ca 0.18 -1.12 0.24 0.00 -0.52 0.00 0.00 52.55 51.33 3abm s ASP 139 Cb -0.12 -2.06 0.46 0.00 -1.46 0.00 0.00 42.92 39.74 3abm s ASP 139 CO 0.08 -0.46 1.63 1.88 0.52 0.00 0.00 175.17 178.82 3abm h TYR 140 N 8.50 0.00 0.07 -5.34 0.05 -1.94 0.39 116.97 118.71 3abm h TYR 140 Ca -0.26 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.43 3abm h TYR 140 Cb 1.10 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.85 3abm h TYR 140 CO 0.58 0.00 -0.42 -0.44 -1.05 0.00 0.00 178.16 176.83 3abm h ASP 141 N 0.00 0.23 0.12 3.88 3.45 -1.94 -3.34 116.42 118.81 3abm h ASP 141 Ca 0.00 -0.97 0.00 0.00 0.43 0.00 0.00 57.03 56.49 3abm h ASP 141 Cb 0.92 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 3abm h ASP 141 CO 0.00 1.20 -0.20 0.29 -1.57 0.00 0.00 179.24 178.96 3abm n LYS 142 N -4.37 1.21 -3.63 3.56 5.02 -1.22 -4.96 118.16 113.78 3abm n LYS 142 Ca -0.12 -0.79 -0.21 0.00 -2.02 0.00 0.00 58.31 55.17 3abm n LYS 142 Cb 0.65 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 34.23 3abm n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3abm n ASN 143 N -0.20 -2.12 -3.87 4.39 4.05 0.13 -4.98 115.26 112.65 3abm n ASN 143 Ca 0.14 -0.74 -0.09 0.00 0.45 0.00 0.00 54.58 54.34 3abm n ASN 143 Cb 0.38 -4.43 -0.04 0.00 1.23 0.00 0.00 39.78 36.93 3abm n ASN 143 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3abm s GLU 144 N -5.88 1.65 0.21 1.20 -1.05 -0.78 -4.99 118.70 109.07 3abm s GLU 144 Ca 0.11 -1.24 -0.30 0.00 -0.15 0.00 0.00 54.97 53.38 3abm s GLU 144 Cb -0.05 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 34.05 3abm s GLU 144 CO 0.78 -0.71 1.38 -1.58 0.95 0.00 0.00 175.26 176.09 3abm s TRP 145 N -3.86 3.15 0.32 4.83 0.52 -1.26 0.31 118.94 122.95 3abm s TRP 145 Ca 0.20 1.10 -0.28 0.00 0.02 0.00 0.00 56.10 57.14 3abm s TRP 145 Cb -0.02 -3.71 -0.13 0.00 -1.15 0.00 0.00 33.47 28.46 3abm s TRP 145 CO 0.09 -2.30 1.28 1.63 0.02 0.00 0.00 176.95 177.67 3abm n LYS 146 N 2.63 2.03 0.00 4.98 5.02 -0.19 -4.77 118.16 127.86 3abm n LYS 146 Ca 0.07 0.71 0.14 0.00 -2.02 0.00 0.00 58.31 57.21 3abm n LYS 146 Cb 0.41 -2.28 0.84 0.00 -0.02 0.00 0.00 35.03 33.98 3abm n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51