#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g71 n SER 2 N 0.00 1.61 -3.79 2.55 3.41 -1.26 -4.97 113.62 111.17 3g71 n SER 2 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3g71 n SER 2 Cb 0.00 1.51 -0.11 0.00 -0.26 0.00 0.00 64.21 65.35 3g71 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3g71 s SER 3 N -3.90 -0.22 -0.81 4.04 1.04 -1.26 -5.08 113.70 107.52 3g71 s SER 3 Ca -0.06 0.36 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 3g71 s SER 3 Cb 0.08 0.45 0.37 0.00 0.10 0.00 0.00 66.02 67.02 3g71 s SER 3 CO 0.61 -0.17 2.00 -3.20 0.98 0.00 0.00 173.24 173.45 3g71 n ASN 4 N 2.52 7.47 -4.90 7.02 5.15 -1.26 -4.88 115.26 126.38 3g71 n ASN 4 Ca -0.15 -3.83 -0.28 0.00 -0.60 0.00 0.00 54.58 49.72 3g71 n ASN 4 Cb 0.58 -1.03 0.03 0.00 -0.53 0.00 0.00 39.78 38.82 3g71 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3g71 s GLY 5 N -1.28 1.60 0.42 8.20 0.00 -1.26 -4.99 107.32 110.01 3g71 s GLY 5 Ca 0.54 -0.53 0.14 0.00 0.00 0.00 0.00 44.72 44.87 3g71 s GLY 5 CO -0.35 -0.24 1.92 -2.55 0.00 0.00 0.00 173.10 171.89 3g71 h PRO 6 N -0.28 0.00 -0.75 2.90 0.11 -2.05 -2.99 132.00 128.94 3g71 h PRO 6 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 3g71 h PRO 6 Cb 1.24 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 3g71 h PRO 6 CO 0.62 0.26 0.20 1.28 -0.21 0.00 0.00 178.00 180.15 3g71 n LEU 7 N -4.19 5.66 -4.74 2.35 4.77 -1.26 -4.62 117.00 114.97 3g71 n LEU 7 Ca -0.02 -2.93 -0.41 0.00 -0.03 0.00 0.00 56.01 52.62 3g71 n LEU 7 Cb 0.32 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 3g71 n LEU 7 CO 0.37 0.73 0.68 -0.70 -1.33 0.00 0.00 177.39 177.14 3g71 s GLU 8 N -2.72 4.74 -1.66 3.23 -6.30 -1.13 -3.42 118.70 111.43 3g71 s GLU 8 Ca 0.50 1.50 0.00 0.00 -2.50 0.00 0.00 54.97 54.47 3g71 s GLU 8 Cb 0.40 -3.33 0.00 0.00 0.00 0.00 0.00 34.13 31.20 3g71 s GLU 8 CO 0.13 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.11 3g71 n GLY 9 N 1.95 1.33 1.28 -1.50 0.00 -1.26 -4.91 105.19 102.09 3g71 n GLY 9 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 3g71 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g71 n THR 10 N -2.76 2.60 -0.11 2.61 -2.24 -1.22 -4.67 114.28 108.50 3g71 n THR 10 Ca -0.17 -2.43 -0.09 0.00 -2.27 0.00 0.00 64.05 59.10 3g71 n THR 10 Cb 0.55 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 3g71 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3g71 h ARG 11 N 1.23 0.48 0.00 -0.78 2.43 -1.91 -2.97 114.38 112.87 3g71 h ARG 11 Ca 0.23 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3g71 h ARG 11 Cb 1.80 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 3g71 h ARG 11 CO 0.46 0.45 -0.08 0.78 -1.51 0.00 0.00 179.97 180.07 3g71 h GLY 12 N 0.40 0.06 2.00 2.80 0.00 -1.94 -3.30 103.07 103.10 3g71 h GLY 12 Ca 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3g71 h GLY 12 CO -0.01 0.09 -0.13 0.07 0.00 0.00 0.00 176.54 176.56 3g71 h LYS 13 N -0.72 0.00 -0.41 4.80 2.10 -1.88 -3.10 116.57 117.36 3g71 h LYS 13 Ca -0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 3g71 h LYS 13 Cb 0.88 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.20 3g71 h LYS 13 CO 0.02 0.13 0.02 1.28 -2.00 0.00 0.00 179.45 178.90 3g71 n LEU 14 N -3.27 4.74 -4.35 7.07 4.77 -1.12 -4.87 117.00 119.96 3g71 n LEU 14 Ca 0.00 -3.04 -0.30 0.00 -0.03 0.00 0.00 56.01 52.64 3g71 n LEU 14 Cb 0.38 -0.62 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 3g71 n LEU 14 CO 0.31 0.69 -0.57 -0.75 -1.33 0.00 0.00 177.39 175.74 3g71 s LYS 15 N -2.85 1.75 0.19 3.23 2.20 -1.17 -4.75 119.74 118.34 3g71 s LYS 15 Ca 0.48 -1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 3g71 s LYS 15 Cb 0.38 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.68 3g71 s LYS 15 CO 0.11 0.50 0.39 -0.80 -0.36 0.00 0.00 175.35 175.20 3g71 s ASN 16 N -1.35 6.41 0.12 1.43 0.02 -1.26 -4.92 114.94 115.39 3g71 s ASN 16 Ca 0.12 0.47 -0.30 0.00 -1.02 0.00 0.00 52.86 52.13 3g71 s ASN 16 Cb -0.10 -2.04 -0.07 0.00 0.02 0.00 0.00 41.25 39.07 3g71 s ASN 16 CO 0.03 -0.03 1.12 -0.54 0.02 0.00 0.00 177.10 177.70 3g71 s LYS 17 N -3.16 4.54 0.21 -0.60 3.01 -1.26 -4.91 119.74 117.58 3g71 s LYS 17 Ca 0.39 1.70 0.14 0.00 -1.01 0.00 0.00 55.97 57.19 3g71 s LYS 17 Cb -0.11 -3.32 0.76 0.00 -1.01 0.00 0.00 37.83 34.15 3g71 s LYS 17 CO 0.28 -0.04 0.84 -2.30 0.51 0.00 0.00 175.35 174.65 3g71 n PRO 18 N 3.00 -0.03 0.09 -1.68 -0.02 -1.26 0.35 135.00 135.46 3g71 n PRO 18 Ca 0.05 0.71 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 3g71 n PRO 18 Cb 0.47 -1.33 0.34 0.00 -0.02 0.00 0.00 33.50 32.96 3g71 n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3g71 n ARG 19 N -4.01 0.26 -0.65 -0.52 1.74 -1.26 -3.19 116.66 109.03 3g71 n ARG 19 Ca 0.21 0.17 0.09 0.00 -0.77 0.00 0.00 57.85 57.55 3g71 n ARG 19 Cb 0.76 -1.76 0.37 0.00 -1.02 0.00 0.00 32.46 30.80 3g71 n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3g71 n ASP 20 N -2.20 4.88 -3.75 0.55 10.43 0.15 -4.98 116.55 121.63 3g71 n ASP 20 Ca 0.05 -2.49 -0.30 0.00 2.57 0.00 0.00 54.79 54.61 3g71 n ASP 20 Cb 0.43 -0.60 0.25 0.00 1.84 0.00 0.00 41.12 43.04 3g71 n ASP 20 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3g71 s ARG 21 N -1.94 -1.44 0.71 -1.24 3.52 -1.19 -4.81 118.95 112.56 3g71 s ARG 21 Ca 0.52 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 3g71 s ARG 21 Cb 0.34 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 32.16 3g71 s ARG 21 CO 0.24 -3.85 0.00 0.41 -0.81 0.00 0.00 175.30 171.29 3g71 n GLY 22 N -0.74 -1.84 3.75 8.12 0.00 -1.26 -4.85 105.19 108.36 3g71 n GLY 22 Ca 0.13 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 3g71 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g71 s THR 23 N -0.98 2.52 0.53 2.61 2.01 -1.26 -4.77 115.64 116.29 3g71 s THR 23 Ca 0.00 0.44 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 3g71 s THR 23 Cb 0.00 -3.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.16 3g71 s THR 23 CO 0.00 0.07 1.01 -0.44 -0.69 0.00 0.00 174.62 174.57 3g71 s SER 24 N 0.34 6.39 0.30 3.53 0.01 -1.26 -5.03 113.70 117.98 3g71 s SER 24 Ca 0.60 1.67 -0.29 0.00 1.31 0.00 0.00 55.95 59.23 3g71 s SER 24 Cb -0.43 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.18 3g71 s SER 24 CO 0.45 -0.75 1.31 -2.84 0.41 0.00 0.00 173.24 171.82 3g71 s PRO 25 N -3.98 4.37 0.45 12.44 0.02 -1.26 -4.96 135.00 142.08 3g71 s PRO 25 Ca 0.61 2.18 0.21 0.00 0.02 0.00 0.00 61.00 64.02 3g71 s PRO 25 Cb -0.12 -3.10 1.09 0.00 0.02 0.00 0.00 34.50 32.39 3g71 s PRO 25 CO 0.31 -0.20 1.95 -1.35 -0.33 0.00 0.00 177.00 177.39 3g71 h PRO 26 N 3.83 0.00 -1.01 5.54 0.11 -1.99 -3.31 132.00 135.17 3g71 h PRO 26 Ca -0.48 0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.86 3g71 h PRO 26 Cb 1.22 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 3g71 h PRO 26 CO 0.68 0.22 0.61 0.37 -0.21 0.00 0.00 178.00 179.68 3g71 h GLN 27 N 0.00 0.59 0.00 1.05 5.75 -1.99 -0.11 115.11 120.40 3g71 h GLN 27 Ca -0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3g71 h GLN 27 Cb 0.49 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.91 3g71 h GLN 27 CO 0.03 0.39 -0.47 2.89 -2.65 0.00 0.00 178.83 179.02 3g71 n ARG 28 N -4.80 0.09 0.03 1.69 1.85 -1.24 -2.79 116.66 111.49 3g71 n ARG 28 Ca 0.25 0.03 0.12 0.00 -1.00 0.00 0.00 57.85 57.25 3g71 n ARG 28 Cb 0.71 -1.56 0.12 0.00 -1.05 0.00 0.00 32.46 30.68 3g71 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3g71 n ALA 29 N -1.61 3.35 0.46 2.89 0.00 -0.13 -3.40 120.51 122.07 3g71 n ALA 29 Ca 0.05 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.19 3g71 n ALA 29 Cb 0.37 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 3g71 n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g71 n VAL 30 N -1.87 0.00 -1.53 0.00 0.31 -0.78 -4.41 118.33 110.05 3g71 n VAL 30 Ca 0.03 -0.24 -0.54 0.00 -0.01 0.00 0.00 64.34 63.58 3g71 n VAL 30 Cb 0.41 0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 34.18 3g71 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3g71 n GLU 31 N -1.35 0.49 -3.66 5.55 4.07 -1.12 -4.96 120.64 119.66 3g71 n GLU 31 Ca 0.02 0.18 -0.37 0.00 -0.06 0.00 0.00 57.16 56.92 3g71 n GLU 31 Cb 0.19 -1.66 -0.11 0.00 -0.06 0.00 0.00 31.44 29.80 3g71 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3g71 s GLU 32 N -0.05 3.95 0.03 5.31 0.41 -1.26 -4.82 118.70 122.27 3g71 s GLU 32 Ca 0.83 -0.33 0.04 0.00 -0.41 0.00 0.00 54.97 55.11 3g71 s GLU 32 Cb -1.08 -3.54 -0.04 0.00 -1.78 0.00 0.00 34.13 27.69 3g71 s GLU 32 CO 0.53 -0.07 -0.06 -0.06 -0.49 0.00 0.00 175.26 175.11 3g71 s PHE 33 N 1.42 2.89 0.26 1.61 0.40 -1.26 -5.14 117.98 118.16 3g71 s PHE 33 Ca 0.07 -0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 3g71 s PHE 33 Cb -0.15 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 3g71 s PHE 33 CO 0.07 0.40 0.37 -0.51 0.70 0.00 0.00 175.22 176.26 3g71 s ASP 34 N -1.69 6.23 0.29 1.36 1.01 -1.26 -5.06 116.67 117.55 3g71 s ASP 34 Ca 0.19 0.01 -0.29 0.00 0.71 0.00 0.00 52.55 53.17 3g71 s ASP 34 Cb -0.11 -1.73 -0.10 0.00 1.01 0.00 0.00 42.92 41.98 3g71 s ASP 34 CO 0.10 -0.13 1.44 -1.81 0.21 0.00 0.00 175.17 174.98 3g71 s ASP 35 N -4.01 6.59 0.00 0.27 1.11 -1.26 -2.47 116.67 116.90 3g71 s ASP 35 Ca 0.36 2.77 0.00 0.00 0.18 0.00 0.00 52.55 55.86 3g71 s ASP 35 Cb -0.09 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.26 3g71 s ASP 35 CO 0.29 -0.72 0.00 0.61 1.18 0.00 0.00 175.17 176.53 3g71 n GLY 36 N 1.65 2.81 3.76 0.21 0.00 0.19 -4.99 105.19 108.81 3g71 n GLY 36 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3g71 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g71 s GLU 37 N -0.76 4.38 -0.17 1.61 2.02 -1.03 -4.67 118.70 120.08 3g71 s GLU 37 Ca 0.00 2.14 -0.23 0.00 0.02 0.00 0.00 54.97 56.90 3g71 s GLU 37 Cb 0.00 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 3g71 s GLU 37 CO 0.00 -0.19 0.75 0.15 0.02 0.00 0.00 175.26 175.99 3g71 s LYS 38 N -1.16 4.28 0.04 1.61 -0.14 -1.26 -1.00 119.74 122.11 3g71 s LYS 38 Ca 0.52 0.86 0.06 0.00 -1.36 0.00 0.00 55.97 56.05 3g71 s LYS 38 Cb -0.38 -3.56 -0.02 0.00 -1.68 0.00 0.00 37.83 32.18 3g71 s LYS 38 CO 0.47 -0.25 -0.19 0.14 -0.76 0.00 0.00 175.35 174.76 3g71 s VAL 39 N 1.91 1.50 -0.03 3.17 -7.23 -0.74 -1.79 120.40 117.18 3g71 s VAL 39 Ca 0.35 -1.10 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 3g71 s VAL 39 Cb -0.16 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 3g71 s VAL 39 CO 0.12 0.18 0.49 -1.00 -0.31 0.00 0.00 175.10 174.58 3g71 s HIS 40 N -0.77 3.66 -0.32 2.82 3.76 0.13 -0.67 115.29 123.91 3g71 s HIS 40 Ca 0.06 1.04 -0.12 0.00 -0.15 0.00 0.00 55.06 55.89 3g71 s HIS 40 Cb -0.08 -2.47 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 3g71 s HIS 40 CO 0.01 0.42 0.21 -0.51 -0.85 0.00 0.00 174.74 174.02 3g71 s LEU 41 N -0.35 4.32 -0.16 0.89 1.02 0.63 -1.82 118.68 123.21 3g71 s LEU 41 Ca 0.27 -0.40 -0.06 0.00 0.02 0.00 0.00 54.13 53.95 3g71 s LEU 41 Cb -0.17 -2.09 0.07 0.00 0.02 0.00 0.00 46.19 44.02 3g71 s LEU 41 CO 0.14 -0.20 0.34 -0.75 0.02 0.00 0.00 176.35 175.90 3g71 s LYS 42 N 1.69 0.24 0.22 1.70 2.47 -0.79 0.04 119.74 125.31 3g71 s LYS 42 Ca 0.06 0.86 -0.30 0.00 -1.56 0.00 0.00 55.97 55.03 3g71 s LYS 42 Cb -0.17 0.12 -0.09 0.00 -1.46 0.00 0.00 37.83 36.23 3g71 s LYS 42 CO 0.09 -0.25 1.25 0.42 0.16 0.00 0.00 175.35 177.01 3g71 s ILE 43 N 2.35 3.31 -0.39 5.43 1.01 -1.26 -4.36 121.20 127.29 3g71 s ILE 43 Ca -0.02 1.13 -0.20 0.00 0.00 0.00 0.00 60.65 61.57 3g71 s ILE 43 Cb -0.12 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.64 3g71 s ILE 43 CO -0.11 0.20 0.62 -0.62 0.00 0.00 0.00 174.94 175.03 3g71 s ASP 44 N 0.03 6.36 0.58 3.58 -1.08 -1.26 -4.95 116.67 119.93 3g71 s ASP 44 Ca 0.53 -0.09 0.27 0.00 -0.52 0.00 0.00 52.55 52.75 3g71 s ASP 44 Cb -0.35 -2.31 1.59 0.00 -1.46 0.00 0.00 42.92 40.39 3g71 s ASP 44 CO 0.40 -0.65 2.08 -0.65 0.52 0.00 0.00 175.17 176.87 3g71 h PRO 45 N 8.64 0.00 0.00 4.34 0.11 -1.89 -2.07 132.00 141.12 3g71 h PRO 45 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 3g71 h PRO 45 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3g71 h PRO 45 CO 0.85 0.00 -0.32 0.77 -0.21 0.00 0.00 178.00 179.09 3g71 h SER 46 N 0.00 0.00 -3.77 -2.05 0.02 -1.91 -3.43 113.55 102.40 3g71 h SER 46 Ca 0.11 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.41 3g71 h SER 46 Cb 0.55 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.92 3g71 h SER 46 CO -0.00 0.32 -0.39 -0.69 -1.14 0.00 0.00 176.83 174.92 3g71 s VAL 47 N -3.11 5.24 -0.05 2.27 1.01 -0.78 -4.81 120.40 120.17 3g71 s VAL 47 Ca 0.05 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 3g71 s VAL 47 Cb 0.07 -3.67 -0.25 0.00 0.00 0.00 0.00 36.38 32.53 3g71 s VAL 47 CO 0.71 0.10 0.99 -0.65 0.00 0.00 0.00 175.10 176.25 3g71 h PRO 48 N 8.37 0.19 -6.95 2.72 0.11 -1.84 -3.44 132.00 131.16 3g71 h PRO 48 Ca -0.32 -0.23 -0.49 0.00 0.11 0.00 0.00 66.00 65.06 3g71 h PRO 48 Cb 1.17 0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.37 3g71 h PRO 48 CO 0.62 0.99 0.16 -0.80 -0.21 0.00 0.00 178.00 178.75 3g71 s ASN 49 N -6.43 6.39 -0.16 -2.05 0.01 -1.26 -4.38 114.94 107.06 3g71 s ASN 49 Ca -0.16 1.10 0.00 0.00 -0.71 0.00 0.00 52.86 53.09 3g71 s ASN 49 Cb 0.01 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.35 3g71 s ASN 49 CO 0.75 -0.53 0.00 0.61 -1.51 0.00 0.00 177.10 176.42 3g71 n GLY 50 N -1.87 0.52 3.85 0.66 0.00 -1.26 -4.92 105.19 102.18 3g71 n GLY 50 Ca 0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 3g71 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g71 s ARG 51 N -1.36 2.88 0.27 1.61 0.52 -1.26 -2.73 118.95 118.87 3g71 s ARG 51 Ca 0.00 0.67 0.02 0.00 -0.52 0.00 0.00 55.73 55.90 3g71 s ARG 51 Cb 0.00 -2.01 0.02 0.00 0.52 0.00 0.00 34.95 33.48 3g71 s ARG 51 CO 0.00 -1.07 0.16 1.97 0.02 0.00 0.00 175.30 176.38 3g71 n PHE 52 N -3.07 -0.65 -2.41 -0.53 1.16 -1.26 -4.88 117.46 105.82 3g71 n PHE 52 Ca 0.07 -1.19 -0.42 0.00 -1.87 0.00 0.00 57.45 54.03 3g71 n PHE 52 Cb 0.55 -0.21 -0.03 0.00 -1.61 0.00 0.00 39.48 38.19 3g71 n PHE 52 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3g71 s HIS 53 N -1.50 3.12 -0.71 2.97 5.65 -1.26 -4.88 115.29 118.68 3g71 s HIS 53 Ca 0.12 1.13 0.00 0.00 0.25 0.00 0.00 55.06 56.56 3g71 s HIS 53 Cb -0.01 -3.47 0.00 0.00 -1.18 0.00 0.00 32.58 27.92 3g71 s HIS 53 CO 0.08 -1.55 0.61 -2.30 -0.65 0.00 0.00 174.74 170.93 3g71 n PRO 54 N 5.24 0.00 0.19 2.88 -0.02 -1.26 -0.90 135.00 141.13 3g71 n PRO 54 Ca 0.11 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 3g71 n PRO 54 Cb 0.46 -1.66 0.18 0.00 -0.02 0.00 0.00 33.50 32.46 3g71 n PRO 54 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3g71 h ARG 55 N 0.00 0.00 -0.56 -0.52 2.43 -1.89 -3.23 114.38 110.60 3g71 h ARG 55 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3g71 h ARG 55 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3g71 h ARG 55 CO 0.00 0.23 0.00 1.19 -1.51 0.00 0.00 179.97 179.88 3g71 n PHE 56 N -3.18 0.86 -2.13 2.20 3.72 -0.08 -4.93 117.46 113.91 3g71 n PHE 56 Ca 0.03 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.63 3g71 n PHE 56 Cb 0.59 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 3g71 n PHE 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3g71 s ASP 57 N -0.90 6.77 0.00 4.37 1.11 -1.22 -2.69 116.67 124.11 3g71 s ASP 57 Ca 0.35 2.27 0.00 0.00 0.18 0.00 0.00 52.55 55.35 3g71 s ASP 57 Cb 0.20 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.62 3g71 s ASP 57 CO 0.21 -0.75 0.00 0.61 1.18 0.00 0.00 175.17 176.41 3g71 n GLY 58 N 3.71 0.57 3.76 0.21 0.00 0.11 -5.02 105.19 108.52 3g71 n GLY 58 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3g71 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g71 s GLN 59 N -0.97 4.74 -0.51 1.61 -1.52 -1.10 -4.81 119.66 117.09 3g71 s GLN 59 Ca 0.00 1.48 -0.06 0.00 -1.95 0.00 0.00 55.36 54.83 3g71 s GLN 59 Cb 0.00 -3.11 0.13 0.00 -0.22 0.00 0.00 33.01 29.81 3g71 s GLN 59 CO 0.00 0.40 0.36 0.99 -0.25 0.00 0.00 175.29 176.78 3g71 s THR 60 N -1.31 3.92 0.06 -0.19 2.01 -1.26 -0.27 115.64 118.60 3g71 s THR 60 Ca 0.44 -2.20 0.00 0.00 0.31 0.00 0.00 61.69 60.25 3g71 s THR 60 Cb -0.25 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.69 3g71 s THR 60 CO 0.31 -0.79 0.09 0.61 -0.69 0.00 0.00 174.62 174.14 3g71 n GLY 61 N 4.41 0.83 2.87 4.40 0.00 0.16 -4.86 105.19 113.00 3g71 n GLY 61 Ca -0.01 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 3g71 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g71 s THR 62 N -0.01 0.88 0.01 2.61 2.01 -0.55 -1.79 115.64 118.80 3g71 s THR 62 Ca 0.06 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 3g71 s THR 62 Cb -0.00 -0.97 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 3g71 s THR 62 CO 0.04 0.28 1.80 -0.69 -0.69 0.00 0.00 174.62 175.35 3g71 s VAL 63 N 1.76 3.20 -0.18 3.82 1.01 -0.17 -0.87 120.40 128.96 3g71 s VAL 63 Ca 0.04 0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.49 3g71 s VAL 63 Cb -0.13 -3.22 0.41 0.00 0.00 0.00 0.00 36.38 33.44 3g71 s VAL 63 CO -0.07 -0.02 1.21 -0.62 0.00 0.00 0.00 175.10 175.59 3g71 n GLU 64 N 6.97 1.41 0.00 2.72 -0.58 0.05 0.52 120.64 131.74 3g71 n GLU 64 Ca 0.18 -3.13 0.00 0.00 -0.42 0.00 0.00 57.16 53.79 3g71 n GLU 64 Cb 0.41 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 3g71 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g71 n GLY 65 N -0.97 0.85 3.10 0.62 0.00 -1.24 -4.94 105.19 102.62 3g71 n GLY 65 Ca 0.17 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 3g71 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g71 s LYS 66 N -0.95 0.65 -0.43 1.61 -2.85 -1.26 -0.90 119.74 115.61 3g71 s LYS 66 Ca 0.00 -1.13 0.02 0.00 -1.00 0.00 0.00 55.97 53.86 3g71 s LYS 66 Cb 0.00 -0.02 0.12 0.00 -2.06 0.00 0.00 37.83 35.87 3g71 s LYS 66 CO 0.00 -0.05 0.20 -1.14 0.10 0.00 0.00 175.35 174.46 3g71 s GLN 67 N -3.29 1.40 7.31 1.78 0.74 0.21 -4.86 119.66 122.95 3g71 s GLN 67 Ca 0.04 -2.00 0.00 0.00 0.05 0.00 0.00 55.36 53.44 3g71 s GLN 67 Cb 0.02 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.49 3g71 s GLN 67 CO -0.06 -1.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.00 3g71 n GLY 68 N 3.73 1.93 0.08 2.59 0.00 -1.26 -2.90 105.19 109.36 3g71 n GLY 68 Ca 0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 3g71 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g71 n ASP 69 N 8.25 0.42 -4.81 1.61 8.00 -1.26 -4.94 116.55 123.82 3g71 n ASP 69 Ca 0.00 0.19 -0.33 0.00 0.71 0.00 0.00 54.79 55.36 3g71 n ASP 69 Cb 0.00 0.72 -0.00 0.00 -0.02 0.00 0.00 41.12 41.82 3g71 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g71 s ALA 70 N -2.81 2.79 0.07 2.24 0.00 -1.14 -4.75 121.76 118.16 3g71 s ALA 70 Ca -0.07 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.31 3g71 s ALA 70 Cb 0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3g71 s ALA 70 CO 0.84 -0.68 0.20 0.71 0.00 0.00 0.00 175.76 176.82 3g71 s TYR 71 N -2.40 3.47 -0.41 0.00 1.51 0.15 -0.62 117.35 119.04 3g71 s TYR 71 Ca 0.64 0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 56.79 3g71 s TYR 71 Cb -0.15 -1.73 0.05 0.00 -0.11 0.00 0.00 41.96 40.01 3g71 s TYR 71 CO 0.34 0.57 0.26 0.15 -1.11 0.00 0.00 175.55 175.77 3g71 s LYS 72 N -2.55 2.80 -0.17 -0.62 1.02 -0.08 -0.21 119.74 119.92 3g71 s LYS 72 Ca 0.34 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 3g71 s LYS 72 Cb -0.13 -3.84 -0.02 0.00 -0.52 0.00 0.00 37.83 33.33 3g71 s LYS 72 CO 0.27 -0.84 -0.06 0.08 -0.92 0.00 0.00 175.35 173.88 3g71 s VAL 73 N 1.54 3.51 -0.19 3.17 1.01 0.59 -0.77 120.40 129.26 3g71 s VAL 73 Ca 0.03 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 3g71 s VAL 73 Cb -0.21 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3g71 s VAL 73 CO 0.06 0.48 0.57 -1.81 0.00 0.00 0.00 175.10 174.39 3g71 s ASP 74 N 0.69 6.63 0.40 3.32 1.11 -0.05 -0.14 116.67 128.63 3g71 s ASP 74 Ca -0.03 0.76 0.04 0.00 0.18 0.00 0.00 52.55 53.49 3g71 s ASP 74 Cb -0.15 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.48 3g71 s ASP 74 CO 0.02 -0.21 0.06 0.27 1.18 0.00 0.00 175.17 176.49 3g71 s ILE 75 N 1.70 1.16 -0.28 0.77 -4.36 -0.30 -1.48 121.20 118.41 3g71 s ILE 75 Ca 0.26 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 3g71 s ILE 75 Cb -0.16 -2.59 0.08 0.00 1.25 0.00 0.00 42.46 41.05 3g71 s ILE 75 CO 0.10 0.00 0.04 -0.69 0.24 0.00 0.00 174.94 174.63 3g71 s VAL 76 N -3.10 1.23 -0.63 8.37 1.01 -1.26 -1.63 120.40 124.39 3g71 s VAL 76 Ca 0.27 -1.38 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 3g71 s VAL 76 Cb 0.06 -1.77 0.07 0.00 0.00 0.00 0.00 36.38 34.73 3g71 s VAL 76 CO 0.13 -0.44 0.93 -0.62 0.00 0.00 0.00 175.10 175.10 3g71 s ASP 77 N 1.48 6.20 0.01 3.32 2.15 0.11 -4.74 116.67 125.20 3g71 s ASP 77 Ca 0.04 -0.91 0.00 0.00 0.43 0.00 0.00 52.55 52.11 3g71 s ASP 77 Cb -0.18 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3g71 s ASP 77 CO -0.15 -1.37 0.00 0.61 -0.17 0.00 0.00 175.17 174.09 3g71 n GLY 78 N 5.29 1.85 0.00 2.66 0.00 -1.26 -1.56 105.19 112.16 3g71 n GLY 78 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3g71 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g71 n GLY 79 N 0.00 0.78 3.76 -0.02 0.00 -1.26 -5.06 105.19 103.39 3g71 n GLY 79 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3g71 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g71 s LYS 80 N -0.19 4.11 0.00 1.61 2.20 -0.60 -5.07 119.74 121.80 3g71 s LYS 80 Ca 0.00 0.07 -0.26 0.00 -0.36 0.00 0.00 55.97 55.42 3g71 s LYS 80 Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 3g71 s LYS 80 CO 0.00 0.36 0.80 -1.21 -0.36 0.00 0.00 175.35 174.94 3g71 s GLU 81 N 0.11 4.50 0.07 4.03 2.02 -1.26 0.07 118.70 128.23 3g71 s GLU 81 Ca 0.16 1.10 0.04 0.00 0.02 0.00 0.00 54.97 56.29 3g71 s GLU 81 Cb -0.13 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 3g71 s GLU 81 CO 0.04 0.14 -0.12 0.15 0.02 0.00 0.00 175.26 175.50 3g71 s LYS 82 N 0.44 0.74 -0.22 1.61 1.02 -0.64 -4.94 119.74 117.75 3g71 s LYS 82 Ca 0.41 -0.92 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 3g71 s LYS 82 Cb -0.20 -0.64 -0.01 0.00 -0.52 0.00 0.00 37.83 36.46 3g71 s LYS 82 CO 0.23 0.13 -0.05 0.99 -0.92 0.00 0.00 175.35 175.73 3g71 s THR 83 N -1.43 3.36 -0.19 2.17 2.01 -1.26 -1.15 115.64 119.15 3g71 s THR 83 Ca -0.04 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 3g71 s THR 83 Cb -0.09 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3g71 s THR 83 CO 0.02 0.43 0.05 -0.63 -0.69 0.00 0.00 174.62 173.79 3g71 s ILE 84 N 1.42 4.59 -0.35 1.82 1.01 0.80 -4.90 121.20 125.60 3g71 s ILE 84 Ca 0.05 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 3g71 s ILE 84 Cb -0.14 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3g71 s ILE 84 CO -0.03 0.45 0.73 -0.63 0.00 0.00 0.00 174.94 175.46 3g71 s ILE 85 N 0.50 4.81 -0.12 2.92 -1.09 -1.26 -0.30 121.20 126.66 3g71 s ILE 85 Ca 0.02 0.84 -0.10 0.00 -2.23 0.00 0.00 60.65 59.18 3g71 s ILE 85 Cb -0.13 -4.14 0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3g71 s ILE 85 CO 0.01 -0.34 0.31 0.54 -1.23 0.00 0.00 174.94 174.23 3g71 s VAL 86 N 2.92 -0.01 0.65 2.92 0.11 0.70 -4.60 120.40 123.10 3g71 s VAL 86 Ca 0.29 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.25 3g71 s VAL 86 Cb -0.14 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 3g71 s VAL 86 CO 0.15 0.01 1.04 0.42 -3.33 0.00 0.00 175.10 173.39 3g71 s THR 87 N 0.37 4.07 0.56 5.04 -4.23 -1.11 0.29 115.64 120.64 3g71 s THR 87 Ca -0.02 0.60 0.24 0.00 -1.18 0.00 0.00 61.69 61.34 3g71 s THR 87 Cb -0.03 -3.66 0.32 0.00 1.34 0.00 0.00 72.50 70.47 3g71 s THR 87 CO -0.01 -0.85 2.19 0.00 -0.54 0.00 0.00 174.62 175.41 3g71 h ALA 88 N -0.44 1.78 -0.17 3.99 0.00 -1.84 -2.63 119.26 119.95 3g71 h ALA 88 Ca -0.45 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3g71 h ALA 88 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3g71 h ALA 88 CO 0.63 -0.06 0.17 0.00 0.00 0.00 0.00 179.25 180.00 3g71 h ALA 89 N 1.97 1.84 -0.27 0.00 0.00 -1.76 -1.10 119.26 119.94 3g71 h ALA 89 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g71 h ALA 89 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3g71 h ALA 89 CO -0.00 -0.26 0.00 0.72 0.00 0.00 0.00 179.25 179.71 3g71 n HIS 90 N -3.92 0.65 -4.95 0.00 -0.00 -0.99 -4.50 115.22 101.50 3g71 n HIS 90 Ca 0.01 -0.71 -0.28 0.00 -0.00 0.00 0.00 57.72 56.74 3g71 n HIS 90 Cb 0.30 -0.18 -0.15 0.00 -0.00 0.00 0.00 29.99 29.96 3g71 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3g71 s LEU 91 N -2.00 2.10 -0.02 2.41 1.43 -0.42 -1.89 118.68 120.30 3g71 s LEU 91 Ca 0.32 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 3g71 s LEU 91 Cb 0.23 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 3g71 s LEU 91 CO 0.11 0.24 -0.13 -0.13 0.23 0.00 0.00 176.35 176.67 3g71 s ARG 92 N -0.87 1.21 0.21 1.70 1.81 -0.76 -4.96 118.95 117.30 3g71 s ARG 92 Ca 0.09 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.35 3g71 s ARG 92 Cb -0.09 -1.12 -0.08 0.00 -0.45 0.00 0.00 34.95 33.21 3g71 s ARG 92 CO 0.00 0.22 1.20 0.50 -0.68 0.00 0.00 175.30 176.55 3g71 s ARG 93 N -0.07 4.50 0.05 3.54 3.52 -1.26 0.22 118.95 129.45 3g71 s ARG 93 Ca 0.01 1.90 -0.31 0.00 -0.13 0.00 0.00 55.73 57.20 3g71 s ARG 93 Cb -0.08 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 3g71 s ARG 93 CO 0.00 -0.07 1.21 -1.14 -0.81 0.00 0.00 175.30 174.50 3g71 s GLN 94 N -0.46 4.41 0.00 5.12 0.74 -0.74 -4.84 119.66 123.89 3g71 s GLN 94 Ca 0.52 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.71 3g71 s GLN 94 Cb -0.33 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.41 3g71 s GLN 94 CO 0.38 -0.30 0.00 0.39 -0.55 0.00 0.00 175.29 175.22