#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s VAL 5 N 0.00 4.70 0.18 0.44 1.01 -1.26 -5.06 120.40 120.40 1v54 s VAL 5 Ca 0.00 0.41 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 1v54 s VAL 5 Cb 0.00 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 1v54 s VAL 5 CO 0.00 -0.65 0.57 -0.69 0.00 0.00 0.00 175.10 174.33 1v54 s VAL 6 N 3.15 4.85 0.16 2.92 1.01 -1.26 -5.10 120.40 126.13 1v54 s VAL 6 Ca 0.28 0.79 0.11 0.00 0.00 0.00 0.00 61.98 63.16 1v54 s VAL 6 Cb -0.13 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1v54 s VAL 6 CO 0.21 0.16 -0.24 -0.54 0.00 0.00 0.00 175.10 174.70 1v54 s LYS 7 N -2.17 1.54 0.14 2.72 1.02 -1.26 -5.07 119.74 116.65 1v54 s LYS 7 Ca 0.41 -1.42 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 1v54 s LYS 7 Cb -0.14 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1v54 s LYS 7 CO 0.20 0.43 1.58 0.77 -0.92 0.00 0.00 175.35 177.40 1v54 h SER 8 N 3.46 -1.40 0.00 2.83 0.02 -2.05 -2.60 113.55 113.80 1v54 h SER 8 Ca -0.48 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1v54 h SER 8 Cb 1.19 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.32 1v54 h SER 8 CO 0.45 -0.41 0.00 -1.84 -1.14 0.00 0.00 176.83 173.89 1v54 n GLU 9 N -5.43 0.50 -0.42 3.45 0.00 -1.26 -2.77 120.64 114.71 1v54 n GLU 9 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.23 1v54 n GLU 9 Cb 0.36 -1.08 0.30 0.00 0.00 0.00 0.00 31.44 31.02 1v54 n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1v54 n ASP 10 N -0.25 4.05 0.33 -1.84 9.92 -0.98 -4.51 116.55 123.27 1v54 n ASP 10 Ca 0.00 -2.18 0.21 0.00 -0.53 0.00 0.00 54.79 52.30 1v54 n ASP 10 Cb 0.04 -0.48 1.14 0.00 -0.64 0.00 0.00 41.12 41.18 1v54 n ASP 10 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1v54 h TYR 11 N 3.76 0.00 0.00 1.24 -0.00 -1.72 -1.87 116.97 118.38 1v54 h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1v54 h TYR 11 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.84 1v54 h TYR 11 CO 0.54 0.00 -0.37 0.00 -0.00 0.00 0.00 178.16 178.33 1v54 n ALA 12 N -2.11 3.12 -2.89 0.10 0.00 -1.26 -4.92 120.51 112.55 1v54 n ALA 12 Ca -0.03 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 1v54 n ALA 12 Cb 0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 1v54 n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1v54 s LEU 13 N -3.19 4.35 0.36 0.00 1.43 -0.70 -5.05 118.68 115.87 1v54 s LEU 13 Ca 0.11 0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.25 1v54 s LEU 13 Cb 0.17 -2.99 -0.12 0.00 0.03 0.00 0.00 46.19 43.29 1v54 s LEU 13 CO 0.65 0.16 1.29 -2.65 0.23 0.00 0.00 176.35 176.04 1v54 n PRO 14 N 0.30 2.11 -4.55 1.29 -0.02 -1.26 -4.99 135.00 127.88 1v54 n PRO 14 Ca -0.05 0.74 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 1v54 n PRO 14 Cb 0.51 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 1v54 n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1v54 s SER 15 N -0.34 3.18 0.03 2.55 1.04 -1.26 -4.88 113.70 114.02 1v54 s SER 15 Ca 0.56 -1.42 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 1v54 s SER 15 Cb -0.55 -0.13 -0.06 0.00 0.10 0.00 0.00 66.02 65.39 1v54 s SER 15 CO 0.62 -0.58 0.37 -0.47 0.98 0.00 0.00 173.24 174.16 1v54 s TYR 16 N -3.01 3.63 -0.05 5.02 5.04 -1.26 -4.08 117.35 122.64 1v54 s TYR 16 Ca 0.32 0.82 -0.08 0.00 -2.44 0.00 0.00 57.07 55.70 1v54 s TYR 16 Cb 0.08 -2.17 0.01 0.00 0.35 0.00 0.00 41.96 40.23 1v54 s TYR 16 CO 0.15 0.59 0.19 0.14 -1.34 0.00 0.00 175.55 175.28 1v54 s VAL 17 N -1.25 0.03 -0.46 3.14 -7.23 -1.26 -5.07 120.40 108.29 1v54 s VAL 17 Ca 0.28 -0.25 -0.09 0.00 -1.81 0.00 0.00 61.98 60.10 1v54 s VAL 17 Cb -0.15 -0.35 0.11 0.00 0.56 0.00 0.00 36.38 36.55 1v54 s VAL 17 CO 0.15 -0.14 0.33 -1.81 -0.31 0.00 0.00 175.10 173.33 1v54 s ASP 18 N -0.47 5.71 -0.01 4.85 -0.00 -1.26 -4.63 116.67 120.86 1v54 s ASP 18 Ca -0.06 -1.83 0.00 0.00 -0.00 0.00 0.00 52.55 50.67 1v54 s ASP 18 Cb -0.04 -2.01 0.01 0.00 -0.00 0.00 0.00 42.92 40.88 1v54 s ASP 18 CO 0.01 -0.67 -0.01 -0.60 -0.00 0.00 0.00 175.17 173.90 1v54 s ARG 19 N 1.38 0.16 0.30 8.23 3.52 -1.26 -5.05 118.95 126.23 1v54 s ARG 19 Ca 0.05 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 1v54 s ARG 19 Cb -0.26 -0.24 0.51 0.00 -1.56 0.00 0.00 34.95 33.40 1v54 s ARG 19 CO -0.00 -0.03 1.91 0.00 -0.81 0.00 0.00 175.30 176.37 1v54 h ARG 20 N 6.56 1.03 -0.35 5.12 3.08 -1.98 -2.45 114.38 125.38 1v54 h ARG 20 Ca -0.33 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1v54 h ARG 20 Cb 1.17 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1v54 h ARG 20 CO 0.50 0.68 0.00 -0.40 -1.07 0.00 0.00 179.97 179.67 1v54 n ASP 21 N -4.49 2.28 -3.10 7.04 5.75 -1.26 -4.21 116.55 118.56 1v54 n ASP 21 Ca 0.14 -1.91 -0.18 0.00 -0.01 0.00 0.00 54.79 52.83 1v54 n ASP 21 Cb 0.19 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.03 1v54 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v54 n TYR 22 N 0.73 -0.62 -0.17 2.11 9.36 -0.93 -5.00 117.16 122.63 1v54 n TYR 22 Ca 0.16 -3.38 0.16 0.00 3.32 0.00 0.00 57.90 58.16 1v54 n TYR 22 Cb 0.39 -0.00 0.51 0.00 -0.63 0.00 0.00 39.34 39.60 1v54 n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1v54 h PRO 23 N 3.38 0.40 -3.64 2.98 0.13 -1.71 -3.36 132.00 130.18 1v54 h PRO 23 Ca 0.05 -0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.46 1v54 h PRO 23 Cb 0.96 -0.09 -0.36 0.00 0.13 0.00 0.00 31.00 31.64 1v54 h PRO 23 CO 0.43 0.26 -0.41 -0.51 -0.23 0.00 0.00 178.00 177.55 1v54 s LEU 24 N -9.36 5.14 0.98 1.56 1.43 -1.26 -4.96 118.68 112.21 1v54 s LEU 24 Ca -0.08 -2.81 -0.12 0.00 -1.03 0.00 0.00 54.13 50.09 1v54 s LEU 24 Cb 0.21 -1.83 0.13 0.00 0.03 0.00 0.00 46.19 44.74 1v54 s LEU 24 CO 0.77 -0.37 0.83 -2.65 0.23 0.00 0.00 176.35 175.17 1v54 n PRO 25 N 3.52 -0.79 0.21 1.29 -0.02 -1.26 -4.93 135.00 133.02 1v54 n PRO 25 Ca 0.07 -0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.42 1v54 n PRO 25 Cb 0.37 -2.15 0.45 0.00 -0.02 0.00 0.00 33.50 32.16 1v54 n PRO 25 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1v54 h ASP 26 N -1.94 0.00 -4.05 2.55 3.32 -1.94 -3.44 116.42 110.92 1v54 h ASP 26 Ca -0.47 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.27 1v54 h ASP 26 Cb 1.29 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.69 1v54 h ASP 26 CO 0.40 0.27 -0.71 0.68 -1.72 0.00 0.00 179.24 178.16 1v54 s VAL 27 N -4.38 1.09 0.48 -1.35 -7.23 -1.26 -4.98 120.40 102.77 1v54 s VAL 27 Ca -0.03 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 57.90 1v54 s VAL 27 Cb 0.15 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.14 1v54 s VAL 27 CO 0.70 -0.74 0.99 0.00 -0.31 0.00 0.00 175.10 175.75 1v54 s ALA 28 N -3.38 2.97 0.16 1.32 0.00 -1.26 -4.74 121.76 116.83 1v54 s ALA 28 Ca 0.17 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 1v54 s ALA 28 Cb 0.03 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 20.07 1v54 s ALA 28 CO 0.00 -0.16 1.74 1.25 0.00 0.00 0.00 175.76 178.59 1v54 h HIS 29 N 1.47 0.18 -3.32 0.00 2.76 -0.75 -3.39 115.15 112.09 1v54 h HIS 29 Ca -0.48 0.02 -0.67 0.00 -2.20 0.00 0.00 60.37 57.04 1v54 h HIS 29 Cb 1.20 -0.02 -0.31 0.00 1.55 0.00 0.00 27.41 29.82 1v54 h HIS 29 CO 0.60 0.05 -0.77 0.08 -1.30 0.00 0.00 177.93 176.59 1v54 s VAL 30 N -6.16 2.80 -0.17 5.26 1.01 0.10 -2.10 120.40 121.15 1v54 s VAL 30 Ca -0.13 -0.79 0.13 0.00 0.00 0.00 0.00 61.98 61.18 1v54 s VAL 30 Cb 0.13 -2.29 -0.23 0.00 0.00 0.00 0.00 36.38 33.98 1v54 s VAL 30 CO 0.71 0.40 0.19 2.29 0.00 0.00 0.00 175.10 178.69 1v54 n LYS 31 N 4.70 0.67 -3.31 2.72 2.85 -1.26 -4.83 118.16 119.71 1v54 n LYS 31 Ca -0.19 0.11 -0.39 0.00 -1.05 0.00 0.00 58.31 56.79 1v54 n LYS 31 Cb 0.49 -1.60 -0.07 0.00 -0.65 0.00 0.00 35.03 33.20 1v54 n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1v54 s ASN 32 N -5.89 6.47 -0.03 -5.58 0.02 -1.26 -5.06 114.94 103.61 1v54 s ASN 32 Ca -0.13 0.56 0.03 0.00 -1.02 0.00 0.00 52.86 52.30 1v54 s ASN 32 Cb 0.07 -2.26 -0.03 0.00 0.02 0.00 0.00 41.25 39.05 1v54 s ASN 32 CO 0.79 -0.16 -0.11 -0.76 0.02 0.00 0.00 177.10 176.88 1v54 s LEU 33 N 1.63 2.92 0.98 0.60 1.43 -1.26 -5.10 118.68 119.88 1v54 s LEU 33 Ca 0.21 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1v54 s LEU 33 Cb -0.15 -1.64 0.19 0.00 0.03 0.00 0.00 46.19 44.62 1v54 s LEU 33 CO 0.09 0.33 1.25 -0.94 0.23 0.00 0.00 176.35 177.31 1v54 s SER 34 N -0.97 2.95 0.14 2.29 1.04 -1.26 -4.70 113.70 113.19 1v54 s SER 34 Ca 0.13 0.46 -0.19 0.00 0.48 0.00 0.00 55.95 56.84 1v54 s SER 34 Cb -0.11 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.37 1v54 s SER 34 CO 0.03 -2.85 1.70 0.00 0.98 0.00 0.00 173.24 173.09 1v54 h ALA 35 N -1.72 0.17 -0.68 5.32 0.00 -2.00 0.78 119.26 121.14 1v54 h ALA 35 Ca -0.45 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1v54 h ALA 35 Cb 1.27 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1v54 h ALA 35 CO 0.43 -0.47 0.19 0.66 0.00 0.00 0.00 179.25 180.07 1v54 h SER 36 N 0.01 1.01 -0.45 0.00 4.64 -1.99 -2.07 113.55 114.69 1v54 h SER 36 Ca 0.12 -0.22 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 1v54 h SER 36 Cb 0.19 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1v54 h SER 36 CO -0.26 0.96 -0.10 1.56 -0.87 0.00 0.00 176.83 178.12 1v54 h GLN 37 N 1.00 0.86 -0.01 4.77 4.20 -1.79 -0.85 115.11 123.29 1v54 h GLN 37 Ca 0.22 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1v54 h GLN 37 Cb 0.33 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1v54 h GLN 37 CO -0.00 0.96 -0.33 0.87 -0.67 0.00 0.00 178.83 179.65 1v54 h LYS 38 N 0.69 0.02 -0.52 1.46 1.57 -0.76 -1.49 116.57 117.54 1v54 h LYS 38 Ca 0.11 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1v54 h LYS 38 Cb 0.63 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1v54 h LYS 38 CO 0.04 0.35 -0.09 0.00 -0.57 0.00 0.00 179.45 179.18 1v54 h ALA 39 N 1.65 0.85 -0.48 3.86 0.00 -1.00 -2.30 119.26 121.83 1v54 h ALA 39 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1v54 h ALA 39 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1v54 h ALA 39 CO 0.04 0.65 0.00 1.25 0.00 0.00 0.00 179.25 181.20 1v54 h LEU 40 N 0.85 0.84 -1.99 0.00 5.85 -0.49 -0.04 115.31 120.33 1v54 h LEU 40 Ca 0.14 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1v54 h LEU 40 Cb 0.63 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1v54 h LEU 40 CO 0.04 0.94 -0.10 0.11 -0.34 0.00 0.00 178.44 179.09 1v54 h LYS 41 N 0.71 0.00 0.10 1.25 1.79 -1.06 0.82 116.57 120.19 1v54 h LYS 41 Ca 0.14 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.35 1v54 h LYS 41 Cb 0.51 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.18 1v54 h LYS 41 CO 0.02 0.10 -1.08 0.93 -1.08 0.00 0.00 179.45 178.35 1v54 h GLU 42 N 0.00 0.55 -0.33 3.15 4.39 -0.86 -3.18 114.58 118.30 1v54 h GLU 42 Ca -0.00 -0.73 -0.02 0.00 0.34 0.00 0.00 59.36 58.95 1v54 h GLU 42 Cb 0.29 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1v54 h GLU 42 CO 0.01 1.32 0.12 -0.22 -1.16 0.00 0.00 179.01 179.08 1v54 h LYS 43 N 0.12 0.47 0.00 2.33 3.64 -0.01 -1.64 116.57 121.48 1v54 h LYS 43 Ca -0.16 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1v54 h LYS 43 Cb 1.78 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1v54 h LYS 43 CO 0.21 0.40 -0.00 1.49 -2.27 0.00 0.00 179.45 179.28 1v54 h GLU 44 N 0.47 0.00 0.00 1.90 4.81 -0.85 -1.57 114.58 119.33 1v54 h GLU 44 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1v54 h GLU 44 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1v54 h GLU 44 CO -0.01 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.90 1v54 n LYS 45 N -3.09 0.08 -2.17 1.92 5.02 -0.62 -4.78 118.16 114.52 1v54 n LYS 45 Ca -0.02 0.13 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 1v54 n LYS 45 Cb 0.11 -1.60 0.07 0.00 -0.02 0.00 0.00 35.03 33.58 1v54 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1v54 n ALA 46 N -1.59 0.49 -1.70 7.82 0.00 -0.59 -5.03 120.51 119.91 1v54 n ALA 46 Ca 0.06 -1.42 -0.43 0.00 0.00 0.00 0.00 53.44 51.64 1v54 n ALA 46 Cb 0.32 0.31 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 1v54 n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1v54 n SER 47 N -2.74 3.22 0.22 0.00 2.88 -1.26 -4.87 113.62 111.07 1v54 n SER 47 Ca 0.12 1.14 0.15 0.00 -1.33 0.00 0.00 58.87 58.95 1v54 n SER 47 Cb 0.42 -1.50 0.61 0.00 -0.75 0.00 0.00 64.21 62.99 1v54 n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1v54 h TRP 48 N 4.51 0.00 0.00 0.66 6.55 -1.91 -2.78 115.95 122.98 1v54 h TRP 48 Ca -0.46 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.33 1v54 h TRP 48 Cb 1.25 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.55 1v54 h TRP 48 CO 0.57 0.00 -0.27 0.77 -1.05 0.00 0.00 178.44 178.47 1v54 h SER 49 N 0.00 0.00 0.61 -3.49 0.02 -2.00 -2.30 113.55 106.39 1v54 h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1v54 h SER 49 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1v54 h SER 49 CO 0.00 0.27 0.00 -1.20 -1.14 0.00 0.00 176.83 174.76 1v54 n SER 50 N -3.96 0.00 -4.75 3.07 7.64 -1.05 -4.80 113.62 109.78 1v54 n SER 50 Ca -0.02 -0.09 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1v54 n SER 50 Cb 0.34 -0.30 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 1v54 n SER 50 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1v54 s LEU 51 N -2.61 4.47 0.65 -3.43 2.96 -0.87 -5.07 118.68 114.79 1v54 s LEU 51 Ca 0.27 1.46 -0.09 0.00 -0.22 0.00 0.00 54.13 55.55 1v54 s LEU 51 Cb 0.20 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.68 1v54 s LEU 51 CO 0.47 0.06 1.01 -0.94 -1.32 0.00 0.00 176.35 175.63 1v54 s SER 52 N -0.28 5.61 0.17 3.68 1.04 -1.26 -4.86 113.70 117.80 1v54 s SER 52 Ca 0.37 1.01 -0.14 0.00 0.48 0.00 0.00 55.95 57.67 1v54 s SER 52 Cb -0.21 -1.92 0.12 0.00 0.10 0.00 0.00 66.02 64.11 1v54 s SER 52 CO 0.23 -1.17 1.75 0.40 0.98 0.00 0.00 173.24 175.43 1v54 h ILE 53 N -0.42 0.86 0.00 -1.02 1.08 -1.98 0.77 117.51 116.81 1v54 h ILE 53 Ca -0.45 -0.11 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 1v54 h ILE 53 Cb 1.25 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1v54 h ILE 53 CO 0.62 0.06 -0.18 0.44 -0.69 0.00 0.00 178.15 178.41 1v54 h ASP 54 N 0.32 0.00 0.02 1.72 3.32 -1.99 0.05 116.42 119.87 1v54 h ASP 54 Ca 0.21 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.03 1v54 h ASP 54 Cb 0.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1v54 h ASP 54 CO -0.21 0.18 -0.85 -0.33 -1.72 0.00 0.00 179.24 176.30 1v54 h GLU 55 N 0.00 0.66 -0.64 3.56 5.08 -1.66 -1.76 114.58 119.81 1v54 h GLU 55 Ca -0.00 -0.59 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 1v54 h GLU 55 Cb 0.32 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1v54 h GLU 55 CO 0.02 1.20 0.12 0.87 -1.00 0.00 0.00 179.01 180.23 1v54 h LYS 56 N 0.42 1.06 0.00 2.33 1.57 0.20 -0.93 116.57 121.22 1v54 h LYS 56 Ca -0.07 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.32 1v54 h LYS 56 Cb 1.48 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1v54 h LYS 56 CO 0.17 0.97 -0.56 0.28 -0.57 0.00 0.00 179.45 179.73 1v54 h VAL 57 N 0.97 1.39 -0.28 0.50 2.07 -1.00 -1.66 116.25 118.24 1v54 h VAL 57 Ca 0.20 -1.95 -0.15 0.00 0.82 0.00 0.00 66.70 65.62 1v54 h VAL 57 Cb 0.41 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1v54 h VAL 57 CO 0.01 0.55 -0.45 -0.08 0.02 0.00 0.00 177.57 177.62 1v54 h GLU 58 N 0.00 0.72 -0.53 1.57 4.81 -0.91 -0.86 114.58 119.37 1v54 h GLU 58 Ca -0.01 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 1v54 h GLU 58 Cb 1.01 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1v54 h GLU 58 CO 0.07 1.02 0.17 -0.07 -0.73 0.00 0.00 179.01 179.47 1v54 h LEU 59 N 0.57 0.77 -0.29 1.64 3.38 -0.91 -2.12 115.31 118.35 1v54 h LEU 59 Ca 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1v54 h LEU 59 Cb 1.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1v54 h LEU 59 CO 0.10 0.77 0.10 0.22 0.09 0.00 0.00 178.44 179.71 1v54 h TYR 60 N 0.72 0.45 0.00 1.13 3.20 -1.15 -2.80 116.97 118.53 1v54 h TYR 60 Ca 0.17 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1v54 h TYR 60 Cb 0.27 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1v54 h TYR 60 CO 0.02 0.47 0.00 0.54 -1.64 0.00 0.00 178.16 177.54 1v54 n ARG 61 N -4.72 0.15 0.12 1.82 5.12 -0.34 -0.26 116.66 118.55 1v54 n ARG 61 Ca -0.02 0.39 -0.24 0.00 -1.93 0.00 0.00 57.85 56.05 1v54 n ARG 61 Cb 0.15 -1.79 -0.16 0.00 -1.16 0.00 0.00 32.46 29.51 1v54 n ARG 61 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1v54 h LEU 62 N 0.00 0.76 0.02 0.55 3.38 -1.13 -3.37 115.31 115.52 1v54 h LEU 62 Ca 0.00 -0.93 -0.09 0.00 0.09 0.00 0.00 57.88 56.96 1v54 h LEU 62 Cb 0.33 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1v54 h LEU 62 CO 0.00 1.68 -0.35 0.50 0.09 0.00 0.00 178.44 180.36 1v54 h LYS 63 N 0.06 0.19 -6.70 1.13 1.63 -1.16 0.35 116.57 112.08 1v54 h LYS 63 Ca -0.26 -0.24 -0.67 0.00 -0.85 0.00 0.00 60.65 58.63 1v54 h LYS 63 Cb 2.09 0.08 -0.19 0.00 -0.60 0.00 0.00 32.23 33.61 1v54 h LYS 63 CO 0.24 1.01 -0.81 -0.06 -3.45 0.00 0.00 179.45 176.39 1v54 s PHE 64 N -2.86 2.46 -0.03 1.91 0.40 0.65 -0.73 117.98 119.77 1v54 s PHE 64 Ca -0.16 -0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1v54 s PHE 64 Cb 0.01 -1.28 -0.00 0.00 0.51 0.00 0.00 43.02 42.26 1v54 s PHE 64 CO 0.76 0.42 -0.00 -0.22 0.70 0.00 0.00 175.22 176.87 1v54 h LYS 65 N 3.53 0.00 -6.51 0.44 3.64 -1.85 -3.38 116.57 112.44 1v54 h LYS 65 Ca -0.49 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.22 1v54 h LYS 65 Cb 1.18 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.82 1v54 h LYS 65 CO 0.46 0.00 -0.75 -1.21 -2.27 0.00 0.00 179.45 175.68 1v54 s GLU 66 N -1.19 2.19 0.86 1.90 2.02 -1.26 -4.99 118.70 118.23 1v54 s GLU 66 Ca -0.00 -0.95 -0.13 0.00 0.02 0.00 0.00 54.97 53.90 1v54 s GLU 66 Cb 0.00 -2.31 0.11 0.00 0.10 0.00 0.00 34.13 32.04 1v54 s GLU 66 CO 0.00 0.54 1.22 -1.54 0.02 0.00 0.00 175.26 175.50 1v54 s SER 67 N -1.83 4.08 0.16 -0.19 1.04 -1.26 -4.79 113.70 110.90 1v54 s SER 67 Ca 0.19 0.65 -0.15 0.00 0.48 0.00 0.00 55.95 57.12 1v54 s SER 67 Cb -0.11 -1.03 0.04 0.00 0.10 0.00 0.00 66.02 65.02 1v54 s SER 67 CO 0.10 -2.17 1.82 -0.26 0.98 0.00 0.00 173.24 173.72 1v54 h PHE 68 N -1.24 0.56 -0.86 5.02 -1.00 -2.00 -1.11 116.94 116.31 1v54 h PHE 68 Ca -0.46 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.38 1v54 h PHE 68 Cb 1.30 -0.19 -0.06 0.00 3.61 0.00 0.00 35.95 40.62 1v54 h PHE 68 CO -0.09 0.35 0.54 0.00 -1.61 0.00 0.00 178.31 177.50 1v54 h ALA 69 N 1.17 1.16 -0.34 2.45 0.00 -1.96 -0.46 119.26 121.27 1v54 h ALA 69 Ca 0.17 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1v54 h ALA 69 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1v54 h ALA 69 CO -0.04 0.33 -0.31 0.93 0.00 0.00 0.00 179.25 180.16 1v54 h GLU 70 N 1.02 0.81 0.00 0.00 5.08 -1.83 -2.97 114.58 116.69 1v54 h GLU 70 Ca 0.36 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1v54 h GLU 70 Cb 0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1v54 h GLU 70 CO -0.15 1.05 -0.48 0.00 -1.00 0.00 0.00 179.01 178.44 1v54 h MET 71 N 0.59 0.00 -0.31 2.33 -0.00 -0.88 -3.04 114.93 113.62 1v54 h MET 71 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 1v54 h MET 71 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.49 1v54 h MET 71 CO 0.08 0.48 0.00 0.09 -0.00 0.00 0.00 176.91 177.55 1v54 n ASN 72 N -3.79 2.04 -4.77 -0.10 3.02 -0.21 -4.97 115.26 106.48 1v54 n ASN 72 Ca -0.01 -1.89 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 1v54 n ASN 72 Cb 0.52 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1v54 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v54 s ARG 73 N -1.59 3.76 0.54 3.52 1.70 -1.13 -5.03 118.95 120.73 1v54 s ARG 73 Ca 0.30 2.02 -0.04 0.00 -0.47 0.00 0.00 55.73 57.54 1v54 s ARG 73 Cb 0.16 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 32.00 1v54 s ARG 73 CO 0.22 -0.62 0.82 -1.54 -1.08 0.00 0.00 175.30 173.10 1v54 s SER 74 N -1.01 5.67 0.39 -2.89 1.04 -1.26 -5.11 113.70 110.52 1v54 s SER 74 Ca 0.62 0.55 0.04 0.00 0.48 0.00 0.00 55.95 57.64 1v54 s SER 74 Cb -0.35 -1.63 -0.03 0.00 0.10 0.00 0.00 66.02 64.12 1v54 s SER 74 CO 0.43 -0.94 0.14 0.42 0.98 0.00 0.00 173.24 174.27 1v54 s THR 75 N -2.84 0.54 -1.22 2.02 -4.23 -1.26 -5.04 115.64 103.62 1v54 s THR 75 Ca 0.52 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.21 1v54 s THR 75 Cb -0.10 -2.39 0.70 0.00 1.34 0.00 0.00 72.50 72.05 1v54 s THR 75 CO 0.42 0.00 1.60 0.59 -0.54 0.00 0.00 174.62 176.70 1v54 n ASN 76 N -1.28 4.60 -0.14 3.99 3.02 -1.26 -4.53 115.26 119.66 1v54 n ASN 76 Ca -0.04 -2.40 0.10 0.00 -0.03 0.00 0.00 54.58 52.20 1v54 n ASN 76 Cb 0.65 -0.57 0.43 0.00 -0.61 0.00 0.00 39.78 39.68 1v54 n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1v54 h GLU 77 N 4.01 0.55 -0.31 3.52 4.81 -2.01 -1.89 114.58 123.26 1v54 h GLU 77 Ca 0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1v54 h GLU 77 Cb 1.39 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1v54 h GLU 77 CO 0.22 0.36 0.21 0.11 -0.73 0.00 0.00 179.01 179.17 1v54 h TRP 78 N 0.56 0.21 -0.29 0.92 5.08 -2.00 -0.61 115.95 119.82 1v54 h TRP 78 Ca 0.31 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 60.25 1v54 h TRP 78 Cb 0.45 -0.07 -0.01 0.00 -3.00 0.00 0.00 29.16 26.53 1v54 h TRP 78 CO -0.00 0.12 0.06 0.87 -1.28 0.00 0.00 178.44 178.21 1v54 h LYS 79 N 0.22 0.47 -0.36 0.12 1.57 -1.70 -0.50 116.57 116.39 1v54 h LYS 79 Ca 0.13 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1v54 h LYS 79 Cb 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1v54 h LYS 79 CO -0.02 0.56 0.02 1.15 -0.57 0.00 0.00 179.45 180.58 1v54 h THR 80 N 0.30 1.25 0.15 -0.16 2.02 -1.29 -0.62 112.91 114.56 1v54 h THR 80 Ca 0.09 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1v54 h THR 80 Cb 0.30 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1v54 h THR 80 CO 0.00 0.31 -0.07 0.58 0.37 0.00 0.00 175.52 176.72 1v54 h VAL 81 N 0.44 0.94 -0.53 3.16 2.07 -1.06 -0.45 116.25 120.81 1v54 h VAL 81 Ca 0.10 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1v54 h VAL 81 Cb 0.43 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1v54 h VAL 81 CO 0.02 0.09 0.13 0.58 0.02 0.00 0.00 177.57 178.40 1v54 h VAL 82 N -0.37 1.24 -0.54 2.57 2.07 -1.13 -0.51 116.25 119.58 1v54 h VAL 82 Ca -0.02 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1v54 h VAL 82 Cb 0.30 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1v54 h VAL 82 CO 0.03 0.31 0.07 1.23 0.02 0.00 0.00 177.57 179.24 1v54 h GLY 83 N 0.74 0.98 1.25 2.17 0.00 -1.09 -1.66 103.07 105.47 1v54 h GLY 83 Ca 0.17 -0.67 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1v54 h GLY 83 CO 0.00 0.62 -0.31 0.00 0.00 0.00 0.00 176.54 176.85 1v54 h ALA 84 N 0.98 0.73 -0.44 3.60 0.00 -0.93 -1.20 119.26 122.00 1v54 h ALA 84 Ca 0.16 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1v54 h ALA 84 Cb 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1v54 h ALA 84 CO 0.01 0.66 0.26 0.00 0.00 0.00 0.00 179.25 180.18 1v54 h ALA 85 N 0.94 0.56 -0.45 0.00 0.00 -0.98 -1.15 119.26 118.18 1v54 h ALA 85 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1v54 h ALA 85 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1v54 h ALA 85 CO 0.08 -0.06 0.07 0.52 0.00 0.00 0.00 179.25 179.85 1v54 h MET 86 N 0.52 0.70 -0.74 0.00 2.07 -1.08 -0.67 114.93 115.72 1v54 h MET 86 Ca 0.18 -0.15 -0.05 0.00 -2.07 0.00 0.00 59.70 57.61 1v54 h MET 86 Cb 0.02 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 29.62 1v54 h MET 86 CO -0.09 0.67 0.28 0.35 1.07 0.00 0.00 176.91 179.19 1v54 h PHE 87 N 0.67 1.15 -0.03 -0.22 3.57 -0.33 0.66 116.94 122.41 1v54 h PHE 87 Ca 0.15 -0.10 -0.16 0.00 3.53 0.00 0.00 57.97 61.39 1v54 h PHE 87 Cb 0.32 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1v54 h PHE 87 CO 0.02 0.89 -0.69 0.74 -2.23 0.00 0.00 178.31 177.03 1v54 h PHE 88 N 1.08 0.21 -0.08 0.41 -1.00 -0.64 0.14 116.94 117.06 1v54 h PHE 88 Ca 0.24 -0.09 -0.15 0.00 2.81 0.00 0.00 57.97 60.78 1v54 h PHE 88 Cb 0.24 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1v54 h PHE 88 CO 0.02 0.80 -0.61 0.82 -1.61 0.00 0.00 178.31 177.73 1v54 h ILE 89 N 0.11 1.38 -0.41 -0.55 2.04 -0.94 -1.55 117.51 117.59 1v54 h ILE 89 Ca -0.02 -1.98 -0.11 0.00 1.00 0.00 0.00 64.86 63.75 1v54 h ILE 89 Cb 1.23 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1v54 h ILE 89 CO 0.10 0.59 -0.18 1.23 0.00 0.00 0.00 178.15 179.89 1v54 h GLY 90 N 1.45 0.93 1.67 5.37 0.00 -0.50 -2.44 103.07 109.55 1v54 h GLY 90 Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1v54 h GLY 90 CO 0.10 0.75 0.15 -2.75 0.00 0.00 0.00 176.54 174.79 1v54 h PHE 91 N 0.67 0.42 -0.81 5.60 3.57 -0.39 -2.17 116.94 123.83 1v54 h PHE 91 Ca 0.09 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1v54 h PHE 91 Cb 0.74 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1v54 h PHE 91 CO 0.06 0.32 0.49 1.15 -2.23 0.00 0.00 178.31 178.09 1v54 h THR 92 N 0.44 1.23 -0.00 4.41 2.02 -0.80 -1.14 112.91 119.06 1v54 h THR 92 Ca 0.11 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1v54 h THR 92 Cb 0.05 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1v54 h THR 92 CO -0.02 0.24 -0.03 0.00 0.37 0.00 0.00 175.52 176.08 1v54 h ALA 93 N 1.42 1.94 -0.40 6.16 0.00 -1.25 0.21 119.26 127.35 1v54 h ALA 93 Ca 0.29 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1v54 h ALA 93 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1v54 h ALA 93 CO -0.05 0.04 -0.11 -0.07 0.00 0.00 0.00 179.25 179.05 1v54 h LEU 94 N 0.00 0.70 -0.64 0.00 3.38 -1.18 -0.31 115.31 117.27 1v54 h LEU 94 Ca 0.00 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1v54 h LEU 94 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1v54 h LEU 94 CO 0.00 0.84 -0.26 -0.07 0.09 0.00 0.00 178.44 179.05 1v54 h LEU 95 N 0.65 0.80 -0.65 1.67 3.38 -0.86 -1.53 115.31 118.77 1v54 h LEU 95 Ca 0.11 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1v54 h LEU 95 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1v54 h LEU 95 CO 0.04 1.02 -0.22 -0.07 0.09 0.00 0.00 178.44 179.30 1v54 h LEU 96 N 0.67 0.84 -0.25 1.67 3.38 -1.04 -0.96 115.31 119.61 1v54 h LEU 96 Ca 0.08 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1v54 h LEU 96 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1v54 h LEU 96 CO 0.06 1.03 0.11 0.40 0.09 0.00 0.00 178.44 180.14 1v54 h ILE 97 N 0.71 1.16 -0.73 1.22 2.04 -0.85 -1.17 117.51 119.90 1v54 h ILE 97 Ca 0.10 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1v54 h ILE 97 Cb 0.75 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1v54 h ILE 97 CO 0.06 0.16 0.45 -0.25 0.00 0.00 0.00 178.15 178.57 1v54 h TRP 98 N 0.26 0.85 -0.14 1.37 7.01 -1.08 -1.69 115.95 122.53 1v54 h TRP 98 Ca 0.08 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1v54 h TRP 98 Cb 0.15 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1v54 h TRP 98 CO -0.01 0.47 0.04 1.49 -2.79 0.00 0.00 178.44 177.64 1v54 h GLU 99 N 0.87 0.23 -0.76 2.65 4.81 -0.82 0.43 114.58 121.98 1v54 h GLU 99 Ca 0.30 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1v54 h GLU 99 Cb 0.05 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1v54 h GLU 99 CO -0.12 0.37 0.50 -0.22 -0.73 0.00 0.00 179.01 178.81 1v54 h LYS 100 N 0.04 0.91 0.10 1.92 1.63 -0.94 0.13 116.57 120.35 1v54 h LYS 100 Ca 0.05 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1v54 h LYS 100 Cb 0.24 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1v54 h LYS 100 CO -0.00 0.60 -0.05 1.25 -3.45 0.00 0.00 179.45 177.81 1v54 h HIS 101 N 0.94 -0.12 0.00 1.91 2.76 -1.06 -3.34 115.15 116.24 1v54 h HIS 101 Ca 0.30 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1v54 h HIS 101 Cb 0.04 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1v54 h HIS 101 CO -0.00 0.41 -1.44 0.66 -1.30 0.00 0.00 177.93 176.25 1v54 n TYR 102 N -4.85 0.14 -0.09 5.26 4.01 0.12 -4.75 117.16 117.00 1v54 n TYR 102 Ca -0.08 0.04 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 1v54 n TYR 102 Cb 0.29 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 38.86 1v54 n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1v54 n VAL 103 N -2.04 1.10 -2.39 -0.72 0.31 0.38 -5.00 118.33 109.97 1v54 n VAL 103 Ca -0.00 -0.17 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 1v54 n VAL 103 Cb 0.48 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 1v54 n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1v54 s TYR 104 N -2.39 3.44 0.00 3.52 4.12 -0.82 -5.04 117.35 120.17 1v54 s TYR 104 Ca -0.25 1.40 0.00 0.00 0.02 0.00 0.00 57.07 58.24 1v54 s TYR 104 Cb 0.09 -3.42 0.00 0.00 -1.52 0.00 0.00 41.96 37.10 1v54 s TYR 104 CO 0.32 -1.20 0.00 0.41 0.02 0.00 0.00 175.55 175.10 1v54 n GLY 105 N 2.40 0.91 3.79 0.71 0.00 -1.26 -4.78 105.19 106.97 1v54 n GLY 105 Ca 0.05 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1v54 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v54 s PRO 106 N -2.06 3.29 0.69 1.61 0.04 -1.26 -5.04 135.00 132.27 1v54 s PRO 106 Ca 0.00 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.27 1v54 s PRO 106 Cb 0.00 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1v54 s PRO 106 CO 0.00 -0.85 1.05 0.96 0.04 0.00 0.00 177.00 178.20 1v54 s ILE 107 N -2.25 3.15 0.68 0.56 -4.36 -1.26 -5.02 121.20 112.69 1v54 s ILE 107 Ca 0.66 0.19 -0.17 0.00 -0.26 0.00 0.00 60.65 61.08 1v54 s ILE 107 Cb -0.18 -3.34 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 1v54 s ILE 107 CO 0.34 -0.41 0.81 -2.65 0.24 0.00 0.00 174.94 173.27 1v54 n PRO 108 N -2.94 0.54 0.14 0.37 -0.02 -1.26 -4.87 135.00 126.95 1v54 n PRO 108 Ca 0.07 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1v54 n PRO 108 Cb 0.58 -2.06 0.52 0.00 -0.02 0.00 0.00 33.50 32.52 1v54 n PRO 108 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1v54 n HIS 109 N -2.23 0.71 0.61 6.00 1.44 -1.26 -2.57 115.22 117.92 1v54 n HIS 109 Ca 0.12 0.33 0.06 0.00 -2.01 0.00 0.00 57.72 56.23 1v54 n HIS 109 Cb 0.49 -1.03 0.33 0.00 0.12 0.00 0.00 29.99 29.90 1v54 n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1v54 n THR 110 N -2.20 0.67 1.05 0.61 -2.24 -1.26 -2.07 114.28 108.84 1v54 n THR 110 Ca 0.00 0.17 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 1v54 n THR 110 Cb 0.11 -0.95 0.08 0.00 -2.10 0.00 0.00 70.33 67.47 1v54 n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1v54 n PHE 111 N -1.30 0.00 -1.75 4.78 3.01 -1.06 -4.23 117.46 116.91 1v54 n PHE 111 Ca 0.06 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.14 1v54 n PHE 111 Cb 0.11 -0.08 0.05 0.00 -0.01 0.00 0.00 39.48 39.55 1v54 n PHE 111 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1v54 s GLU 112 N -2.76 2.99 0.23 -1.08 2.02 -0.88 -4.76 118.70 114.46 1v54 s GLU 112 Ca 0.15 2.23 -0.06 0.00 0.02 0.00 0.00 54.97 57.30 1v54 s GLU 112 Cb 0.18 -2.17 0.39 0.00 0.10 0.00 0.00 34.13 32.63 1v54 s GLU 112 CO 0.69 -1.31 1.74 1.49 0.02 0.00 0.00 175.26 177.89 1v54 h GLU 113 N 1.24 0.45 -0.28 1.61 4.81 -1.92 -0.87 114.58 119.62 1v54 h GLU 113 Ca -0.51 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 1v54 h GLU 113 Cb 1.31 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1v54 h GLU 113 CO 0.56 0.30 -0.06 1.49 -0.73 0.00 0.00 179.01 180.57 1v54 h GLU 114 N 0.46 0.53 -0.30 1.92 4.81 -1.96 -1.67 114.58 118.37 1v54 h GLU 114 Ca 0.38 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1v54 h GLU 114 Cb 0.52 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1v54 h GLU 114 CO -0.36 0.73 0.13 2.35 -0.73 0.00 0.00 179.01 181.14 1v54 h TRP 115 N 0.29 0.24 -0.95 0.92 2.91 -1.76 -1.73 115.95 115.88 1v54 h TRP 115 Ca 0.07 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.13 1v54 h TRP 115 Cb 0.53 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.07 1v54 h TRP 115 CO 0.05 0.12 0.62 0.28 -1.03 0.00 0.00 178.44 178.48 1v54 h VAL 116 N 0.28 1.20 -0.66 2.65 2.07 -1.09 0.21 116.25 120.92 1v54 h VAL 116 Ca 0.13 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1v54 h VAL 116 Cb 0.07 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 1v54 h VAL 116 CO -0.11 0.22 0.12 0.00 0.02 0.00 0.00 177.57 177.83 1v54 h ALA 117 N 1.43 0.87 0.10 1.67 0.00 -0.59 0.81 119.26 123.55 1v54 h ALA 117 Ca 0.36 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1v54 h ALA 117 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1v54 h ALA 117 CO -0.10 0.62 -0.05 0.87 0.00 0.00 0.00 179.25 180.60 1v54 h LYS 118 N 1.00 -0.12 -0.87 0.00 1.57 -0.71 -2.32 116.57 115.12 1v54 h LYS 118 Ca 0.20 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 1v54 h LYS 118 Cb 0.41 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 1v54 h LYS 118 CO 0.01 0.31 0.48 0.37 -0.57 0.00 0.00 179.45 180.05 1v54 h GLN 119 N -0.62 0.69 -0.47 3.15 4.15 -0.54 0.55 115.11 122.02 1v54 h GLN 119 Ca -0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1v54 h GLN 119 Cb 0.50 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1v54 h GLN 119 CO 0.02 0.46 0.23 1.15 -1.93 0.00 0.00 178.83 178.76 1v54 h THR 120 N 0.71 1.18 -0.13 2.39 2.02 -0.81 0.60 112.91 118.87 1v54 h THR 120 Ca 0.46 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1v54 h THR 120 Cb 0.58 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1v54 h THR 120 CO -0.32 0.20 0.07 0.50 0.37 0.00 0.00 175.52 176.33 1v54 h LYS 121 N 0.61 0.19 -0.79 6.66 1.63 -0.58 -1.80 116.57 122.49 1v54 h LYS 121 Ca 0.16 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 60.00 1v54 h LYS 121 Cb 0.11 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.64 1v54 h LYS 121 CO -0.02 0.23 0.47 -0.09 -3.45 0.00 0.00 179.45 176.59 1v54 h ARG 122 N 0.10 0.82 -0.50 1.90 2.43 -0.68 0.37 114.38 118.82 1v54 h ARG 122 Ca 0.05 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1v54 h ARG 122 Cb 0.10 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1v54 h ARG 122 CO -0.01 0.54 0.18 0.52 -1.51 0.00 0.00 179.97 179.70 1v54 h MET 123 N 0.85 0.73 -0.07 0.20 2.86 -0.70 0.13 114.93 118.92 1v54 h MET 123 Ca 0.36 -0.11 -0.16 0.00 -2.06 0.00 0.00 59.70 57.73 1v54 h MET 123 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1v54 h MET 123 CO -0.19 0.61 -0.64 -0.07 1.06 0.00 0.00 176.91 177.68 1v54 h LEU 124 N 0.72 0.33 -0.51 1.22 3.38 -0.17 -0.42 115.31 119.86 1v54 h LEU 124 Ca 0.17 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1v54 h LEU 124 Cb 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1v54 h LEU 124 CO -0.01 0.89 -0.39 0.44 0.09 0.00 0.00 178.44 179.45 1v54 h ASP 125 N 0.21 0.84 -0.15 -0.43 3.45 0.51 -2.40 116.42 118.45 1v54 h ASP 125 Ca -0.01 -0.38 0.00 0.00 0.43 0.00 0.00 57.03 57.07 1v54 h ASP 125 Cb 1.17 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 1v54 h ASP 125 CO 0.10 1.13 0.00 1.15 -1.57 0.00 0.00 179.24 180.05 1v54 n MET 126 N -4.04 1.60 -3.66 3.56 0.00 -0.05 -4.95 117.12 109.57 1v54 n MET 126 Ca -0.02 -0.90 -0.21 0.00 0.00 0.00 0.00 57.70 56.57 1v54 n MET 126 Cb 0.53 -1.36 0.04 0.00 0.00 0.00 0.00 33.22 32.44 1v54 n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1v54 n LYS 127 N 0.13 -5.14 -1.70 3.17 5.02 -0.73 -4.92 118.16 113.99 1v54 n LYS 127 Ca 0.15 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.67 1v54 n LYS 127 Cb 0.27 -5.27 -0.03 0.00 -0.02 0.00 0.00 35.03 29.98 1v54 n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1v54 n VAL 128 N -4.25 0.24 -3.70 -0.18 0.31 -0.25 -3.26 118.33 107.24 1v54 n VAL 128 Ca -0.30 -0.04 -0.27 0.00 -0.01 0.00 0.00 64.34 63.72 1v54 n VAL 128 Cb 0.68 -2.05 0.02 0.00 -0.91 0.00 0.00 33.84 31.57 1v54 n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1v54 n ALA 129 N 5.03 -2.66 0.29 3.52 0.00 -1.26 -1.21 120.51 124.22 1v54 n ALA 129 Ca 0.17 -0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.47 1v54 n ALA 129 Cb 0.36 -2.16 0.36 0.00 0.00 0.00 0.00 19.45 18.02 1v54 n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1v54 h PRO 130 N -1.06 0.00 0.20 0.00 0.13 -1.90 -0.74 132.00 128.63 1v54 h PRO 130 Ca -0.56 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.24 1v54 h PRO 130 Cb 1.33 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.48 1v54 h PRO 130 CO 0.42 0.00 -1.56 0.82 -0.23 0.00 0.00 178.00 177.45 1v54 h ILE 131 N 0.00 1.17 0.00 -3.56 5.03 -1.91 -3.29 117.51 114.95 1v54 h ILE 131 Ca 0.00 -2.69 0.00 0.00 -0.12 0.00 0.00 64.86 62.05 1v54 h ILE 131 Cb 0.80 2.90 0.00 0.00 -3.03 0.00 0.00 36.82 37.48 1v54 h ILE 131 CO 0.00 0.84 0.00 0.00 -0.68 0.00 0.00 178.15 178.31 1v54 n GLN 132 N -3.61 0.00 -0.08 2.37 6.02 -1.25 -4.85 117.38 115.97 1v54 n GLN 132 Ca -0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.71 1v54 n GLN 132 Cb 1.08 -0.17 -0.03 0.00 1.02 0.00 0.00 30.24 32.14 1v54 n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1v54 h GLY 133 N 0.00 0.39 0.00 1.08 0.00 -1.89 -3.43 103.07 99.22 1v54 h GLY 133 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1v54 h GLY 133 CO 0.00 0.17 0.00 0.33 0.00 0.00 0.00 176.54 177.04 1v54 n PHE 134 N -4.84 -0.40 0.28 5.60 7.35 -0.33 -4.87 117.46 120.25 1v54 n PHE 134 Ca -0.02 0.07 0.12 0.00 -0.76 0.00 0.00 57.45 56.86 1v54 n PHE 134 Cb 0.07 0.52 0.80 0.00 0.35 0.00 0.00 39.48 41.23 1v54 n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1v54 h SER 135 N 0.00 0.00 0.36 -2.13 0.02 -0.67 0.86 113.55 111.99 1v54 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1v54 h SER 135 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1v54 h SER 135 CO 0.00 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 1v54 h ALA 136 N 1.98 1.00 -0.13 3.77 0.00 -1.60 -1.35 119.26 122.93 1v54 h ALA 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1v54 h ALA 136 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1v54 h ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1v54 n LYS 137 N -3.05 1.86 -4.70 0.00 5.02 0.29 -4.84 118.16 112.74 1v54 n LYS 137 Ca -0.02 -1.28 -0.33 0.00 -2.02 0.00 0.00 58.31 54.66 1v54 n LYS 137 Cb 0.15 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 1v54 n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1v54 s TRP 138 N -1.84 2.86 -0.54 2.13 -0.11 -0.51 -1.29 118.94 119.64 1v54 s TRP 138 Ca 0.34 -0.20 -0.21 0.00 1.22 0.00 0.00 56.10 57.25 1v54 s TRP 138 Cb 0.19 -1.75 0.06 0.00 -1.50 0.00 0.00 33.47 30.48 1v54 s TRP 138 CO 0.29 0.13 0.76 0.34 -4.62 0.00 0.00 176.95 173.85 1v54 s ASP 139 N -0.40 6.25 0.53 5.86 -1.08 0.11 -4.76 116.67 123.19 1v54 s ASP 139 Ca 0.05 -0.81 0.32 0.00 -0.52 0.00 0.00 52.55 51.59 1v54 s ASP 139 Cb -0.12 -2.35 1.26 0.00 -1.46 0.00 0.00 42.92 40.25 1v54 s ASP 139 CO 0.02 -1.06 1.95 1.88 0.52 0.00 0.00 175.17 178.48 1v54 h TYR 140 N 9.16 0.00 0.00 -5.34 0.05 -1.91 -0.57 116.97 118.36 1v54 h TYR 140 Ca -0.27 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.49 1v54 h TYR 140 Cb 1.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1v54 h TYR 140 CO 0.83 0.04 -0.16 -0.44 -1.05 0.00 0.00 178.16 177.38 1v54 h ASP 141 N 0.00 0.00 0.24 3.88 3.45 -1.94 -3.33 116.42 118.72 1v54 h ASP 141 Ca -0.00 -0.43 0.00 0.00 0.43 0.00 0.00 57.03 57.03 1v54 h ASP 141 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1v54 h ASP 141 CO 0.00 0.80 0.00 0.29 -1.57 0.00 0.00 179.24 178.77 1v54 n LYS 142 N -4.67 0.71 -3.73 3.56 5.02 -1.24 -4.93 118.16 112.88 1v54 n LYS 142 Ca -0.07 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 55.99 1v54 n LYS 142 Cb 0.27 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1v54 n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1v54 n ASN 143 N -1.13 -1.69 -3.75 4.39 2.85 -0.25 -4.99 115.26 110.69 1v54 n ASN 143 Ca 0.19 -0.88 -0.07 0.00 -0.11 0.00 0.00 54.58 53.71 1v54 n ASN 143 Cb 0.16 -3.83 -0.01 0.00 1.24 0.00 0.00 39.78 37.34 1v54 n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1v54 s GLU 144 N -6.02 1.79 0.17 1.20 -1.05 -1.05 -5.00 118.70 108.73 1v54 s GLU 144 Ca 0.08 -1.01 -0.31 0.00 -0.15 0.00 0.00 54.97 53.58 1v54 s GLU 144 Cb -0.02 0.60 -0.09 0.00 -0.44 0.00 0.00 34.13 34.18 1v54 s GLU 144 CO 0.83 -0.82 1.37 -1.58 0.95 0.00 0.00 175.26 176.00 1v54 s TRP 145 N -3.70 3.22 0.20 4.83 0.52 -1.26 0.07 118.94 122.81 1v54 s TRP 145 Ca 0.12 1.06 -0.33 0.00 0.02 0.00 0.00 56.10 56.97 1v54 s TRP 145 Cb -0.06 -3.67 -0.13 0.00 -1.15 0.00 0.00 33.47 28.46 1v54 s TRP 145 CO 0.07 -2.24 1.54 1.63 0.02 0.00 0.00 176.95 177.97 1v54 n LYS 146 N 3.22 2.22 0.00 4.98 5.02 -0.41 -4.74 118.16 128.45 1v54 n LYS 146 Ca 0.09 0.80 0.11 0.00 -2.02 0.00 0.00 58.31 57.28 1v54 n LYS 146 Cb 0.42 -2.54 0.64 0.00 -0.02 0.00 0.00 35.03 33.53 1v54 n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51