#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m94 s ILE 2 N 0.00 2.32 -0.14 2.02 -4.36 -0.29 -4.89 121.20 115.86 1m94 s ILE 2 Ca 0.00 -2.35 -0.09 0.00 -0.26 0.00 0.00 60.65 57.95 1m94 s ILE 2 Cb 0.00 -2.30 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 1m94 s ILE 2 CO 0.00 -0.41 0.18 -1.61 0.24 0.00 0.00 174.94 173.34 1m94 s GLU 3 N -3.55 3.78 0.16 0.37 8.01 -1.26 -1.55 118.70 124.66 1m94 s GLU 3 Ca 0.29 -0.08 0.07 0.00 0.01 0.00 0.00 54.97 55.25 1m94 s GLU 3 Cb -0.03 -3.28 -0.04 0.00 -4.31 0.00 0.00 34.13 26.46 1m94 s GLU 3 CO 0.14 0.58 -0.14 0.08 0.01 0.00 0.00 175.26 175.93 1m94 s VAL 4 N -0.49 1.49 -0.20 2.63 1.01 -0.38 0.41 120.40 124.87 1m94 s VAL 4 Ca 0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.15 1m94 s VAL 4 Cb -0.12 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.53 1m94 s VAL 4 CO 0.03 -0.52 -0.00 0.68 0.00 0.00 0.00 175.10 175.29 1m94 s VAL 5 N -2.59 0.90 -0.21 2.92 -7.23 -0.82 -2.29 120.40 111.07 1m94 s VAL 5 Ca 0.15 -0.78 -0.08 0.00 -1.81 0.00 0.00 61.98 59.47 1m94 s VAL 5 Cb -0.02 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1m94 s VAL 5 CO 0.04 -0.14 0.09 -0.69 -0.31 0.00 0.00 175.10 174.09 1m94 s VAL 6 N 1.69 4.79 -0.17 1.32 1.01 -0.47 -0.97 120.40 127.59 1m94 s VAL 6 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1m94 s VAL 6 Cb -0.17 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1m94 s VAL 6 CO -0.07 0.40 -0.06 0.54 0.00 0.00 0.00 175.10 175.91 1m94 s ASN 7 N 0.86 4.45 0.49 3.32 2.20 -0.39 -0.83 114.94 125.05 1m94 s ASN 7 Ca 0.05 -0.26 -0.19 0.00 -0.94 0.00 0.00 52.86 51.52 1m94 s ASN 7 Cb -0.13 -1.73 -0.08 0.00 -2.00 0.00 0.00 41.25 37.30 1m94 s ASN 7 CO 0.03 0.11 1.00 -0.62 -2.94 0.00 0.00 177.10 174.67 1m94 s ASP 8 N 0.73 6.55 0.28 3.54 -1.08 0.62 -1.00 116.67 126.31 1m94 s ASP 8 Ca -0.03 1.72 -0.01 0.00 -0.52 0.00 0.00 52.55 53.72 1m94 s ASP 8 Cb -0.15 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.18 1m94 s ASP 8 CO 0.02 -0.63 1.82 -0.09 0.52 0.00 0.00 175.17 176.81 1m94 h ARG 9 N 1.33 0.82 -0.19 4.34 9.65 -1.87 -2.85 114.38 125.61 1m94 h ARG 9 Ca -0.48 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.21 1m94 h ARG 9 Cb 1.20 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 1m94 h ARG 9 CO 0.60 0.75 0.04 -0.07 2.80 0.00 0.00 179.97 184.09 1m94 h LEU 10 N 0.79 0.29 0.00 3.80 4.07 -1.93 -3.47 115.31 118.86 1m94 h LEU 10 Ca 0.17 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1m94 h LEU 10 Cb 0.31 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1m94 h LEU 10 CO 0.00 0.45 0.00 0.61 -1.08 0.00 0.00 178.44 178.42 1m94 n GLY 11 N -0.51 -0.31 2.82 0.83 0.00 -1.07 -5.16 105.19 101.79 1m94 n GLY 11 Ca -0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1m94 n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m94 s LYS 12 N 0.00 0.27 -0.22 1.61 2.20 -1.25 -4.92 119.74 117.42 1m94 s LYS 12 Ca 0.00 0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.83 1m94 s LYS 12 Cb 0.00 -0.87 -0.05 0.00 -1.51 0.00 0.00 37.83 35.41 1m94 s LYS 12 CO 0.00 -0.66 0.23 0.21 -0.36 0.00 0.00 175.35 174.76 1m94 s LYS 13 N 2.43 4.11 0.02 4.03 2.20 -1.26 -0.28 119.74 130.99 1m94 s LYS 13 Ca 0.10 -0.13 0.07 0.00 -0.36 0.00 0.00 55.97 55.65 1m94 s LYS 13 Cb -0.16 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1m94 s LYS 13 CO -0.14 0.06 -0.20 0.08 -0.36 0.00 0.00 175.35 174.78 1m94 s VAL 14 N 1.05 1.61 -0.10 4.02 1.01 -0.01 -4.98 120.40 123.00 1m94 s VAL 14 Ca 0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1m94 s VAL 14 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1m94 s VAL 14 CO 0.05 0.29 -0.03 -0.13 0.00 0.00 0.00 175.10 175.28 1m94 s ARG 15 N -0.91 3.08 -0.06 2.72 0.52 -1.26 -1.37 118.95 121.67 1m94 s ARG 15 Ca 0.07 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1m94 s ARG 15 Cb -0.08 -2.76 0.01 0.00 0.52 0.00 0.00 34.95 32.64 1m94 s ARG 15 CO 0.01 0.58 0.15 0.54 0.02 0.00 0.00 175.30 176.60 1m94 s VAL 16 N -0.56 0.00 -0.19 3.52 0.11 -0.97 -5.00 120.40 117.31 1m94 s VAL 16 Ca 0.09 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1m94 s VAL 16 Cb -0.12 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1m94 s VAL 16 CO 0.02 -0.00 0.00 -0.75 -3.33 0.00 0.00 175.10 171.04 1m94 s LYS 17 N 0.06 3.66 0.06 1.54 2.20 -1.26 -1.25 119.74 124.76 1m94 s LYS 17 Ca -0.00 -0.50 -0.26 0.00 -0.36 0.00 0.00 55.97 54.84 1m94 s LYS 17 Cb -0.01 -3.07 0.07 0.00 -1.51 0.00 0.00 37.83 33.31 1m94 s LYS 17 CO 0.00 0.07 0.62 0.00 -0.36 0.00 0.00 175.35 175.68 1m94 s LEU 19 N -2.01 4.05 0.46 0.00 1.43 -1.26 -1.14 118.68 120.21 1m94 s LEU 19 Ca -0.05 2.05 0.31 0.00 -1.03 0.00 0.00 54.13 55.42 1m94 s LEU 19 Cb -0.01 -4.28 1.42 0.00 0.03 0.00 0.00 46.19 43.36 1m94 s LEU 19 CO -0.02 -0.62 1.94 0.00 0.23 0.00 0.00 176.35 177.87 1m94 h ALA 20 N 2.21 1.00 0.00 4.21 0.00 -1.95 -1.89 119.26 122.85 1m94 h ALA 20 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1m94 h ALA 20 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1m94 h ALA 20 CO 0.61 0.00 0.00 1.05 0.00 0.00 0.00 179.25 180.91 1m94 h GLU 21 N 0.00 0.00 -7.19 0.00 -0.00 -1.94 0.32 114.58 105.77 1m94 h GLU 21 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 58.85 1m94 h GLU 21 Cb 0.32 0.00 0.11 0.00 -0.00 0.00 0.00 28.75 29.18 1m94 h GLU 21 CO 0.00 0.00 0.38 -0.51 -0.00 0.00 0.00 179.01 178.88 1m94 s ASP 22 N -4.80 4.94 0.73 3.06 1.01 -0.71 -4.68 116.67 116.22 1m94 s ASP 22 Ca 0.09 2.08 -0.11 0.00 0.71 0.00 0.00 52.55 55.32 1m94 s ASP 22 Cb 0.11 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.52 1m94 s ASP 22 CO 0.58 -1.75 1.11 -0.94 0.21 0.00 0.00 175.17 174.38 1m94 s SER 23 N -2.43 5.10 0.36 0.27 1.04 -1.26 -1.20 113.70 115.58 1m94 s SER 23 Ca 0.69 0.95 0.04 0.00 0.48 0.00 0.00 55.95 58.12 1m94 s SER 23 Cb -0.22 -1.65 0.67 0.00 0.10 0.00 0.00 66.02 64.92 1m94 s SER 23 CO 0.42 -1.53 1.95 0.58 0.98 0.00 0.00 173.24 175.63 1m94 h VAL 24 N -0.76 1.17 -0.75 5.02 2.07 -1.60 -1.74 116.25 119.65 1m94 h VAL 24 Ca -0.45 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1m94 h VAL 24 Cb 1.28 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1m94 h VAL 24 CO 0.64 0.20 0.46 1.23 0.02 0.00 0.00 177.57 180.13 1m94 h GLY 25 N 0.76 1.08 1.43 2.17 0.00 -1.80 -1.31 103.07 105.40 1m94 h GLY 25 Ca 0.14 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1m94 h GLY 25 CO -0.01 0.43 0.10 -1.80 0.00 0.00 0.00 176.54 175.26 1m94 h ASP 26 N 1.02 0.67 -0.32 0.19 1.82 -1.70 -1.38 116.42 116.72 1m94 h ASP 26 Ca 0.27 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.78 1m94 h ASP 26 Cb -0.05 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 1m94 h ASP 26 CO -0.05 0.68 0.14 0.15 -1.61 0.00 0.00 179.24 178.55 1m94 h PHE 27 N 0.70 0.48 0.00 0.28 3.04 -0.67 -1.95 116.94 118.81 1m94 h PHE 27 Ca 0.15 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.01 1m94 h PHE 27 Cb 0.29 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1m94 h PHE 27 CO 0.01 0.44 -0.33 0.87 -2.02 0.00 0.00 178.31 177.29 1m94 h LYS 28 N 0.38 0.00 -0.00 1.11 1.57 -0.92 -1.36 116.57 117.34 1m94 h LYS 28 Ca 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1m94 h LYS 28 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1m94 h LYS 28 CO -0.01 0.33 -0.00 0.87 -0.57 0.00 0.00 179.45 180.07 1m94 h LYS 29 N 0.00 0.00 -0.59 3.15 1.57 -0.80 0.13 116.57 120.03 1m94 h LYS 29 Ca -0.00 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1m94 h LYS 29 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1m94 h LYS 29 CO 0.04 0.47 0.03 0.28 -0.57 0.00 0.00 179.45 179.70 1m94 h VAL 30 N -0.46 1.26 -0.66 0.50 2.07 -1.30 -2.73 116.25 114.93 1m94 h VAL 30 Ca 0.00 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 1m94 h VAL 30 Cb 0.47 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1m94 h VAL 30 CO 0.00 0.40 0.08 0.25 0.02 0.00 0.00 177.57 178.31 1m94 h LEU 31 N 0.93 1.07 -2.05 2.57 5.85 -1.22 -2.64 115.31 119.83 1m94 h LEU 31 Ca 0.17 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.74 1m94 h LEU 31 Cb 0.50 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1m94 h LEU 31 CO 0.02 1.08 0.36 -1.28 -0.34 0.00 0.00 178.44 178.28 1m94 h SER 32 N 1.03 0.00 0.20 1.25 0.87 -0.42 0.11 113.55 116.59 1m94 h SER 32 Ca 0.20 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.62 1m94 h SER 32 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1m94 h SER 32 CO 0.02 0.00 -0.52 -0.07 -0.53 0.00 0.00 176.83 175.73 1m94 h LEU 33 N 0.00 0.39 0.07 2.23 -0.00 -1.43 0.57 115.31 117.13 1m94 h LEU 33 Ca 0.19 -0.20 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 1m94 h LEU 33 Cb 0.90 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 1m94 h LEU 33 CO -0.00 0.83 -0.70 1.56 -0.00 0.00 0.00 178.44 180.13 1m94 h GLN 34 N 0.28 0.14 0.00 1.13 7.50 -1.10 -3.37 115.11 119.68 1m94 h GLN 34 Ca 0.01 -0.24 -0.16 0.00 0.50 0.00 0.00 58.65 58.76 1m94 h GLN 34 Cb 1.00 0.09 -0.03 0.00 0.05 0.00 0.00 27.48 28.60 1m94 h GLN 34 CO 0.09 1.11 -1.09 -0.84 -1.50 0.00 0.00 178.83 176.60 1m94 h ILE 35 N -0.67 0.76 -4.06 2.54 3.07 -1.41 -3.48 117.51 114.26 1m94 h ILE 35 Ca -0.15 -2.26 -0.22 0.00 1.55 0.00 0.00 64.86 63.78 1m94 h ILE 35 Cb 1.39 2.27 0.09 0.00 -0.27 0.00 0.00 36.82 40.30 1m94 h ILE 35 CO 0.03 0.43 -0.44 0.61 -1.05 0.00 0.00 178.15 177.74 1m94 n GLY 36 N 1.34 0.00 0.17 0.16 0.00 0.20 -4.94 105.19 102.13 1m94 n GLY 36 Ca -0.05 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.88 1m94 n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m94 n THR 37 N -3.43 0.00 -1.02 2.61 -1.04 -1.24 -5.06 114.28 105.10 1m94 n THR 37 Ca -0.09 -0.41 0.08 0.00 -2.04 0.00 0.00 64.05 61.59 1m94 n THR 37 Cb 0.57 1.09 -0.04 0.00 -1.82 0.00 0.00 70.33 70.12 1m94 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m94 n GLN 38 N -0.37 -2.50 0.03 -2.82 3.00 -1.26 -3.47 117.38 109.98 1m94 n GLN 38 Ca 0.03 2.00 0.10 0.00 -0.01 0.00 0.00 57.00 59.12 1m94 n GLN 38 Cb 0.16 -2.71 0.43 0.00 0.00 0.00 0.00 30.24 28.12 1m94 n GLN 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1m94 n PRO 39 N -3.12 0.05 0.10 -1.09 -0.04 -1.26 -2.75 135.00 126.89 1m94 n PRO 39 Ca -0.04 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1m94 n PRO 39 Cb 0.42 -1.57 0.07 0.00 -0.04 0.00 0.00 33.50 32.38 1m94 n PRO 39 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1m94 h ASN 40 N 0.00 0.00 -0.14 3.54 4.21 -1.97 -3.35 115.58 117.87 1m94 h ASN 40 Ca 0.00 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1m94 h ASN 40 Cb 0.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 1m94 h ASN 40 CO 0.00 0.03 0.00 1.17 -1.29 0.00 0.00 177.43 177.34 1m94 n LYS 41 N -2.55 2.89 -4.19 0.81 3.00 -1.11 -4.81 118.16 112.20 1m94 n LYS 41 Ca 0.01 -1.78 -0.34 0.00 -0.00 0.00 0.00 58.31 56.20 1m94 n LYS 41 Cb 0.51 -1.14 -0.11 0.00 0.00 0.00 0.00 35.03 34.29 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1m94 s ILE 42 N -1.11 4.36 -0.20 3.15 1.01 -1.12 -1.35 121.20 125.94 1m94 s ILE 42 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1m94 s ILE 42 Cb 0.06 -2.94 0.05 0.00 0.01 0.00 0.00 42.46 39.64 1m94 s ILE 42 CO 0.06 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.71 1m94 s VAL 43 N 0.38 1.49 -0.02 2.92 1.01 0.58 -4.85 120.40 121.90 1m94 s VAL 43 Ca -0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 1m94 s VAL 43 Cb -0.13 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1m94 s VAL 43 CO 0.01 0.11 0.23 -0.76 0.00 0.00 0.00 175.10 174.70 1m94 s LEU 44 N 1.46 4.38 -0.03 3.92 1.02 -1.26 -0.32 118.68 127.85 1m94 s LEU 44 Ca -0.02 0.52 0.02 0.00 0.02 0.00 0.00 54.13 54.68 1m94 s LEU 44 Cb -0.16 -2.54 0.00 0.00 0.02 0.00 0.00 46.19 43.51 1m94 s LEU 44 CO -0.08 0.29 -0.09 -1.10 0.02 0.00 0.00 176.35 175.39 1m94 s GLN 45 N -1.61 0.97 -0.03 1.70 -0.21 -0.43 -0.75 119.66 119.31 1m94 s GLN 45 Ca 0.25 -0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.32 1m94 s GLN 45 Cb -0.13 -0.91 -0.00 0.00 1.00 0.00 0.00 33.01 32.97 1m94 s GLN 45 CO 0.14 0.10 -0.02 0.87 -2.12 0.00 0.00 175.29 174.26 1m94 h LYS 46 N 6.44 0.00 -1.27 2.91 1.79 -1.74 -0.40 116.57 124.30 1m94 h LYS 46 Ca -0.33 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 57.73 1m94 h LYS 46 Cb 1.17 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.54 1m94 h LYS 46 CO 0.49 0.00 -0.81 0.41 -1.08 0.00 0.00 179.45 178.45 1m94 n GLY 47 N 1.82 1.42 1.90 3.86 0.00 -1.26 -4.68 105.19 108.24 1m94 n GLY 47 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1m94 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m94 n GLY 48 N 1.87 0.48 3.44 -0.02 0.00 -1.26 -5.05 105.19 104.65 1m94 n GLY 48 Ca 0.18 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 1m94 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m94 s SER 49 N -2.99 -0.64 0.25 1.61 1.04 -1.26 -5.15 113.70 106.56 1m94 s SER 49 Ca 0.00 1.14 -0.29 0.00 0.48 0.00 0.00 55.95 57.27 1m94 s SER 49 Cb 0.00 1.09 -0.09 0.00 0.10 0.00 0.00 66.02 67.12 1m94 s SER 49 CO 0.00 -0.20 0.94 0.54 0.98 0.00 0.00 173.24 175.49 1m94 s VAL 50 N 0.85 4.10 0.23 5.02 0.11 -1.26 -2.05 120.40 127.40 1m94 s VAL 50 Ca -0.04 2.04 -0.13 0.00 -2.93 0.00 0.00 61.98 60.92 1m94 s VAL 50 Cb -0.05 -4.28 -0.08 0.00 -1.53 0.00 0.00 36.38 30.44 1m94 s VAL 50 CO -0.07 0.45 0.61 -0.76 -3.33 0.00 0.00 175.10 172.01 1m94 s LEU 51 N -1.29 4.19 0.09 2.54 1.43 0.07 -4.93 118.68 120.78 1m94 s LEU 51 Ca 0.42 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.67 1m94 s LEU 51 Cb -0.25 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1m94 s LEU 51 CO 0.31 -0.06 -0.18 -0.75 0.23 0.00 0.00 176.35 175.90 1m94 s LYS 52 N -2.61 0.98 0.54 1.70 2.20 -1.26 -4.71 119.74 116.58 1m94 s LYS 52 Ca 0.47 -1.07 0.25 0.00 -0.36 0.00 0.00 55.97 55.26 1m94 s LYS 52 Cb -0.12 -1.12 1.54 0.00 -1.51 0.00 0.00 37.83 36.62 1m94 s LYS 52 CO 0.20 0.25 2.16 0.22 -0.36 0.00 0.00 175.35 177.82 1m94 h ASP 53 N 4.16 0.00 0.25 1.43 3.58 -1.95 -0.58 116.42 123.31 1m94 h ASP 53 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1m94 h ASP 53 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1m94 h ASP 53 CO 0.40 0.06 0.00 1.41 -2.88 0.00 0.00 179.24 178.23 1m94 n HIS 54 N -3.95 0.53 -4.91 0.28 8.25 -1.26 -4.33 115.22 109.83 1m94 n HIS 54 Ca -0.03 0.25 -0.31 0.00 -0.26 0.00 0.00 57.72 57.37 1m94 n HIS 54 Cb 0.15 -0.90 -0.14 0.00 1.12 0.00 0.00 29.99 30.22 1m94 n HIS 54 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1m94 s ILE 55 N -3.32 2.53 0.48 1.59 1.09 -0.22 -5.06 121.20 118.29 1m94 s ILE 55 Ca 0.01 -1.12 -0.12 0.00 -1.10 0.00 0.00 60.65 58.32 1m94 s ILE 55 Cb 0.06 -1.99 -0.06 0.00 -1.06 0.00 0.00 42.46 39.40 1m94 s ILE 55 CO 0.22 0.45 0.88 -0.55 -0.10 0.00 0.00 174.94 175.84 1m94 s SER 56 N -1.06 6.50 0.44 3.58 0.15 -1.26 -2.24 113.70 119.81 1m94 s SER 56 Ca 0.12 1.31 0.11 0.00 0.70 0.00 0.00 55.95 58.19 1m94 s SER 56 Cb -0.10 -2.40 0.99 0.00 -1.71 0.00 0.00 66.02 62.80 1m94 s SER 56 CO 0.02 -0.55 2.06 -0.07 1.20 0.00 0.00 173.24 175.90 1m94 h LEU 57 N 0.83 0.23 -1.14 3.45 3.38 -1.21 -1.61 115.31 119.24 1m94 h LEU 57 Ca -0.47 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1m94 h LEU 57 Cb 1.19 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1m94 h LEU 57 CO 0.63 0.23 0.12 -0.08 0.09 0.00 0.00 178.44 179.42 1m94 h GLU 58 N 0.26 0.72 -0.36 1.13 4.57 -1.16 -0.91 114.58 118.84 1m94 h GLU 58 Ca 0.07 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1m94 h GLU 58 Cb 0.07 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1m94 h GLU 58 CO -0.01 0.65 0.01 -0.44 -1.18 0.00 0.00 179.01 178.05 1m94 h ASP 59 N 0.70 0.62 0.94 1.04 3.32 -1.60 -2.41 116.42 119.03 1m94 h ASP 59 Ca 0.16 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1m94 h ASP 59 Cb 0.26 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1m94 h ASP 59 CO -0.00 0.77 0.00 1.88 -1.72 0.00 0.00 179.24 180.16 1m94 h TYR 60 N 0.45 0.00 -2.54 4.55 0.05 -1.31 -3.47 116.97 114.69 1m94 h TYR 60 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1m94 h TYR 60 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1m94 h TYR 60 CO 0.03 0.00 0.00 -1.91 -1.05 0.00 0.00 178.16 175.23 1m94 n GLU 61 N -2.49 0.00 -3.81 4.88 0.00 -0.40 -5.05 120.64 113.77 1m94 n GLU 61 Ca 0.02 0.42 -0.36 0.00 0.00 0.00 0.00 57.16 57.25 1m94 n GLU 61 Cb 0.28 -1.27 -0.12 0.00 0.00 0.00 0.00 31.44 30.33 1m94 n GLU 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1m94 s VAL 62 N -2.47 3.28 0.56 6.31 1.01 -0.86 -5.01 120.40 123.22 1m94 s VAL 62 Ca 0.00 -1.73 0.07 0.00 0.00 0.00 0.00 61.98 60.32 1m94 s VAL 62 Cb 0.00 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.36 1m94 s VAL 62 CO 0.00 -0.45 0.61 1.41 0.00 0.00 0.00 175.10 176.67 1m94 n HIS 63 N 4.64 -1.45 -2.05 5.22 8.25 -1.26 -4.70 115.22 123.87 1m94 n HIS 63 Ca -0.07 -2.22 -0.41 0.00 -0.26 0.00 0.00 57.72 54.76 1m94 n HIS 63 Cb 0.42 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 1m94 n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1m94 s ASP 64 N -4.41 6.69 -1.32 0.41 -1.08 -1.26 -2.62 116.67 113.08 1m94 s ASP 64 Ca 0.46 2.71 -0.05 0.00 -0.52 0.00 0.00 52.55 55.15 1m94 s ASP 64 Cb -0.04 -2.64 0.01 0.00 -1.46 0.00 0.00 42.92 38.79 1m94 s ASP 64 CO 0.29 -0.63 0.66 0.00 0.52 0.00 0.00 175.17 176.01 1m94 n GLN 65 N 1.41 -4.95 -3.49 4.34 3.00 0.17 -4.91 117.38 112.94 1m94 n GLN 65 Ca 0.03 0.78 -0.33 0.00 -0.01 0.00 0.00 57.00 57.47 1m94 n GLN 65 Cb 0.41 -5.43 -0.05 0.00 0.00 0.00 0.00 30.24 25.17 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1m94 s THR 66 N -3.14 5.00 -0.11 5.09 -1.32 -1.08 -4.92 115.64 115.17 1m94 s THR 66 Ca 0.33 0.47 -0.10 0.00 -1.21 0.00 0.00 61.69 61.17 1m94 s THR 66 Cb -0.14 -3.65 -0.05 0.00 -1.51 0.00 0.00 72.50 67.15 1m94 s THR 66 CO 0.40 0.12 0.23 0.20 -2.21 0.00 0.00 174.62 173.36 1m94 s ASN 67 N -2.05 6.48 0.20 8.08 -0.87 -1.26 -1.95 114.94 123.56 1m94 s ASN 67 Ca 0.40 0.57 0.04 0.00 -1.57 0.00 0.00 52.86 52.29 1m94 s ASN 67 Cb -0.13 -2.13 -0.05 0.00 -0.02 0.00 0.00 41.25 38.92 1m94 s ASN 67 CO 0.20 0.32 -0.03 -0.76 -2.57 0.00 0.00 177.10 174.26 1m94 s LEU 68 N -0.66 2.28 -0.06 0.60 1.43 -0.15 -4.96 118.68 117.17 1m94 s LEU 68 Ca 0.17 -1.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.08 1m94 s LEU 68 Cb -0.13 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1m94 s LEU 68 CO 0.06 -0.46 0.12 -0.70 0.23 0.00 0.00 176.35 175.59 1m94 s GLU 69 N -3.83 3.30 0.03 1.70 -6.30 -0.16 -1.26 118.70 112.18 1m94 s GLU 69 Ca 0.24 -0.29 0.08 0.00 -2.50 0.00 0.00 54.97 52.50 1m94 s GLU 69 Cb 0.05 -3.04 -0.03 0.00 0.00 0.00 0.00 34.13 31.11 1m94 s GLU 69 CO 0.05 0.71 -0.22 -1.17 0.02 0.00 0.00 175.26 174.66 1m94 s LEU 70 N -1.41 2.38 -0.03 2.70 2.96 -0.17 -1.31 118.68 123.81 1m94 s LEU 70 Ca 0.20 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 1m94 s LEU 70 Cb -0.12 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.17 1m94 s LEU 70 CO 0.10 0.27 0.13 -0.31 -1.32 0.00 0.00 176.35 175.22 1m94 s TYR 71 N -0.84 -0.05 -0.44 5.38 2.02 0.57 -2.83 117.35 121.15 1m94 s TYR 71 Ca 0.13 0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.81 1m94 s TYR 71 Cb -0.10 -0.00 0.07 0.00 -0.40 0.00 0.00 41.96 41.52 1m94 s TYR 71 CO 0.03 -0.18 0.33 0.71 -1.57 0.00 0.00 175.55 174.87 1m94 s TYR 72 N -0.67 3.28 0.00 2.71 2.02 -1.26 -0.31 117.35 123.12 1m94 s TYR 72 Ca -0.08 -1.12 0.00 0.00 -0.37 0.00 0.00 57.07 55.51 1m94 s TYR 72 Cb -0.05 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.49 1m94 s TYR 72 CO 0.01 -0.80 0.00 -0.11 -1.57 0.00 0.00 175.55 173.08