#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 2.20 -0.26 1.12 -4.36 -0.39 -4.92 121.20 114.59 1m94 s ILE 2 Ca 0.00 -2.27 0.00 0.00 -0.26 0.00 0.00 60.65 58.12 1m94 s ILE 2 Cb 0.00 -2.44 0.04 0.00 1.25 0.00 0.00 42.46 41.31 1m94 s ILE 2 CO 0.00 -0.32 -0.07 -1.83 0.24 0.00 0.00 174.94 172.95 1m94 s GLU 3 N -3.59 2.55 0.42 0.37 -1.05 -1.26 -1.31 118.70 114.82 1m94 s GLU 3 Ca 0.30 -1.16 0.07 0.00 -0.15 0.00 0.00 54.97 54.04 1m94 s GLU 3 Cb -0.00 -2.97 -0.04 0.00 -0.44 0.00 0.00 34.13 30.68 1m94 s GLU 3 CO 0.14 -0.50 0.25 0.14 0.95 0.00 0.00 175.26 176.25 1m94 s VAL 4 N 1.23 2.41 0.03 1.83 -7.23 -0.39 -0.87 120.40 117.41 1m94 s VAL 4 Ca -0.04 -1.58 0.06 0.00 -1.81 0.00 0.00 61.98 58.61 1m94 s VAL 4 Cb -0.18 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 1m94 s VAL 4 CO -0.05 0.00 -0.17 0.68 -0.31 0.00 0.00 175.10 175.25 1m94 s VAL 5 N -2.56 1.38 0.06 1.32 -7.23 -0.70 -1.33 120.40 111.34 1m94 s VAL 5 Ca 0.43 -1.02 0.09 0.00 -1.81 0.00 0.00 61.98 59.68 1m94 s VAL 5 Cb 0.02 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 1m94 s VAL 5 CO 0.24 0.16 -0.24 0.68 -0.31 0.00 0.00 175.10 175.64 1m94 s VAL 6 N -0.73 2.36 -0.19 1.32 -7.23 0.49 -0.46 120.40 115.97 1m94 s VAL 6 Ca 0.05 -1.42 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1m94 s VAL 6 Cb -0.08 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 1m94 s VAL 6 CO 0.01 0.29 -0.05 0.20 -0.31 0.00 0.00 175.10 175.24 1m94 s ASN 7 N -1.50 4.41 -0.01 4.85 -0.87 0.13 -1.28 114.94 120.67 1m94 s ASN 7 Ca 0.13 -0.30 -0.02 0.00 -1.57 0.00 0.00 52.86 51.10 1m94 s ASN 7 Cb -0.10 -1.73 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 1m94 s ASN 7 CO 0.04 0.07 0.32 0.44 -2.57 0.00 0.00 177.10 175.40 1m94 h ASP 8 N 7.45 -0.07 -1.55 -1.22 3.32 -1.28 0.72 116.42 123.78 1m94 h ASP 8 Ca -0.35 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.27 1m94 h ASP 8 Cb 1.18 0.02 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 1m94 h ASP 8 CO 0.60 0.03 -1.18 0.54 -1.72 0.00 0.00 179.24 177.51 1m94 n ARG 9 N -2.69 1.15 -3.11 3.56 3.00 -1.26 -4.55 116.66 112.76 1m94 n ARG 9 Ca -0.01 -3.38 -0.06 0.00 -0.01 0.00 0.00 57.85 54.38 1m94 n ARG 9 Cb 0.03 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 30.97 1m94 n ARG 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1m94 n LEU 10 N 0.10 -6.35 0.00 0.55 4.32 -1.26 -4.70 117.00 109.67 1m94 n LEU 10 Ca 0.18 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1m94 n LEU 10 Cb 0.72 -3.08 0.00 0.00 -1.62 0.00 0.00 43.42 39.44 1m94 n LEU 10 CO 0.24 -1.19 0.00 0.61 -1.22 0.00 0.00 177.39 175.83 1m94 n GLY 11 N -1.36 0.71 3.60 -0.72 0.00 -1.26 -5.09 105.19 101.07 1m94 n GLY 11 Ca -0.01 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 3.77 -0.17 1.61 2.20 -1.26 -4.97 119.74 120.91 1m94 s LYS 12 Ca 0.00 0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 56.21 1m94 s LYS 12 Cb 0.00 -3.88 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1m94 s LYS 12 CO 0.00 -1.29 -0.08 0.21 -0.36 0.00 0.00 175.35 173.83 1m94 s LYS 13 N 4.28 3.42 0.06 4.03 2.20 -1.26 -1.13 119.74 131.35 1m94 s LYS 13 Ca 0.47 -0.64 0.08 0.00 -0.36 0.00 0.00 55.97 55.52 1m94 s LYS 13 Cb -0.08 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 1m94 s LYS 13 CO 0.29 0.03 -0.18 0.08 -0.36 0.00 0.00 175.35 175.20 1m94 s VAL 14 N 0.86 2.77 0.01 4.02 1.01 -0.41 -4.93 120.40 123.74 1m94 s VAL 14 Ca -0.02 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1m94 s VAL 14 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1m94 s VAL 14 CO 0.01 0.27 -0.02 0.00 0.00 0.00 0.00 175.10 175.35 1m94 s ARG 15 N -1.63 2.68 -0.12 2.72 1.70 -1.26 -0.38 118.95 122.65 1m94 s ARG 15 Ca 0.15 -0.68 -0.14 0.00 -0.47 0.00 0.00 55.73 54.60 1m94 s ARG 15 Cb -0.10 -2.60 0.04 0.00 -0.57 0.00 0.00 34.95 31.71 1m94 s ARG 15 CO 0.06 0.61 0.38 0.54 -1.08 0.00 0.00 175.30 175.81 1m94 s VAL 16 N -1.08 0.01 -0.10 4.99 0.11 -0.44 -4.94 120.40 118.94 1m94 s VAL 16 Ca 0.19 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1m94 s VAL 16 Cb -0.11 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1m94 s VAL 16 CO 0.10 -0.05 -0.02 -1.59 -3.33 0.00 0.00 175.10 170.22 1m94 s LYS 17 N -0.11 3.11 0.05 1.54 -2.85 -1.26 -1.26 119.74 118.96 1m94 s LYS 17 Ca -0.03 -0.46 -0.27 0.00 -1.00 0.00 0.00 55.97 54.22 1m94 s LYS 17 Cb -0.03 -2.79 0.08 0.00 -2.06 0.00 0.00 37.83 33.03 1m94 s LYS 17 CO 0.01 0.58 0.69 0.00 0.10 0.00 0.00 175.35 176.74 1m94 s LEU 19 N -2.10 4.19 0.56 0.00 1.02 -1.26 -1.27 118.68 119.83 1m94 s LEU 19 Ca -0.03 1.59 0.30 0.00 0.02 0.00 0.00 54.13 56.01 1m94 s LEU 19 Cb -0.01 -4.04 1.69 0.00 0.02 0.00 0.00 46.19 43.85 1m94 s LEU 19 CO -0.04 -0.14 2.17 0.00 0.02 0.00 0.00 176.35 178.36 1m94 h ALA 20 N 2.76 1.34 0.00 4.21 0.00 -1.95 -0.82 119.26 124.80 1m94 h ALA 20 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1m94 h ALA 20 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1m94 h ALA 20 CO 0.64 0.07 -0.42 1.05 0.00 0.00 0.00 179.25 180.59 1m94 h GLU 21 N 0.00 0.00 -7.27 0.00 9.09 -1.94 0.14 114.58 114.60 1m94 h GLU 21 Ca -0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 1m94 h GLU 21 Cb 0.18 0.00 0.18 0.00 -1.65 0.00 0.00 28.75 27.45 1m94 h GLU 21 CO 0.01 0.00 0.20 -0.51 0.05 0.00 0.00 179.01 178.76 1m94 s ASP 22 N -5.29 2.90 0.51 3.06 1.01 -0.31 -4.58 116.67 113.98 1m94 s ASP 22 Ca 0.05 1.83 0.02 0.00 0.71 0.00 0.00 52.55 55.16 1m94 s ASP 22 Cb 0.09 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.63 1m94 s ASP 22 CO 0.70 -3.05 0.73 -0.44 0.21 0.00 0.00 175.17 173.32 1m94 s SER 23 N -2.93 5.44 0.46 0.27 0.01 -1.26 -0.48 113.70 115.21 1m94 s SER 23 Ca 0.65 0.02 0.12 0.00 1.31 0.00 0.00 55.95 58.06 1m94 s SER 23 Cb -0.21 -1.01 1.04 0.00 0.21 0.00 0.00 66.02 66.05 1m94 s SER 23 CO 0.59 -1.00 2.06 0.58 0.41 0.00 0.00 173.24 175.88 1m94 h VAL 24 N 0.20 1.08 -0.57 3.43 2.07 -1.61 -1.90 116.25 118.95 1m94 h VAL 24 Ca -0.43 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 66.87 1m94 h VAL 24 Cb 1.28 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1m94 h VAL 24 CO 0.53 0.09 0.31 1.23 0.02 0.00 0.00 177.57 179.75 1m94 h GLY 25 N 0.34 0.82 1.16 2.17 0.00 -1.81 -0.28 103.07 105.47 1m94 h GLY 25 Ca 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1m94 h GLY 25 CO -0.00 0.14 0.16 -1.80 0.00 0.00 0.00 176.54 175.04 1m94 h ASP 26 N 0.59 0.98 -0.43 0.19 3.58 -1.71 -1.28 116.42 118.34 1m94 h ASP 26 Ca 0.25 -0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.53 1m94 h ASP 26 Cb 0.14 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 1m94 h ASP 26 CO -0.16 0.94 0.22 0.15 -2.88 0.00 0.00 179.24 177.52 1m94 h PHE 27 N 0.99 0.41 0.00 0.28 3.04 -0.83 -1.00 116.94 119.84 1m94 h PHE 27 Ca 0.21 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.08 1m94 h PHE 27 Cb 0.35 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1m94 h PHE 27 CO 0.03 0.21 -0.45 0.87 -2.02 0.00 0.00 178.31 176.95 1m94 h LYS 28 N 0.44 0.00 -0.25 1.11 1.57 -0.78 -0.93 116.57 117.74 1m94 h LYS 28 Ca 0.18 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1m94 h LYS 28 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1m94 h LYS 28 CO -0.12 0.45 -0.27 0.87 -0.57 0.00 0.00 179.45 179.81 1m94 h LYS 29 N 0.00 0.62 -0.09 3.15 1.57 -0.35 0.13 116.57 121.60 1m94 h LYS 29 Ca -0.00 -0.34 -0.23 0.00 -1.87 0.00 0.00 60.65 58.21 1m94 h LYS 29 Cb 0.82 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.16 1m94 h LYS 29 CO 0.06 0.94 -0.85 0.28 -0.57 0.00 0.00 179.45 179.31 1m94 h VAL 30 N 0.33 1.30 -0.42 0.50 2.07 -1.15 -3.24 116.25 115.64 1m94 h VAL 30 Ca 0.04 -2.10 -0.09 0.00 0.82 0.00 0.00 66.70 65.36 1m94 h VAL 30 Cb 0.84 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1m94 h VAL 30 CO 0.07 0.65 -0.10 0.25 0.02 0.00 0.00 177.57 178.46 1m94 h LEU 31 N 0.44 0.82 -2.24 2.57 5.85 -1.16 -2.83 115.31 118.76 1m94 h LEU 31 Ca -0.07 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.33 1m94 h LEU 31 Cb 1.48 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1m94 h LEU 31 CO 0.17 0.99 0.24 0.77 -0.34 0.00 0.00 178.44 180.27 1m94 h SER 32 N 0.64 0.00 0.42 1.25 4.64 -0.76 0.08 113.55 119.83 1m94 h SER 32 Ca 0.11 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.25 1m94 h SER 32 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1m94 h SER 32 CO 0.04 0.00 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.20 1m94 h LEU 33 N 0.00 0.31 0.05 5.97 -0.00 -1.54 0.39 115.31 120.50 1m94 h LEU 33 Ca 0.07 -0.21 -0.11 0.00 -0.00 0.00 0.00 57.88 57.63 1m94 h LEU 33 Cb 0.55 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1m94 h LEU 33 CO -0.00 0.94 -0.54 1.56 -0.00 0.00 0.00 178.44 180.40 1m94 h GLN 34 N 0.17 0.11 0.00 1.13 7.50 -1.09 -3.36 115.11 119.57 1m94 h GLN 34 Ca -0.03 -0.19 -0.10 0.00 0.50 0.00 0.00 58.65 58.83 1m94 h GLN 34 Cb 1.30 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.89 1m94 h GLN 34 CO 0.12 1.09 -0.65 -0.84 -1.50 0.00 0.00 178.83 177.05 1m94 h ILE 35 N -0.74 0.66 -3.96 2.54 3.07 -1.45 -3.48 117.51 114.14 1m94 h ILE 35 Ca -0.12 -1.98 -0.22 0.00 1.55 0.00 0.00 64.86 64.09 1m94 h ILE 35 Cb 1.30 2.25 0.09 0.00 -0.27 0.00 0.00 36.82 40.20 1m94 h ILE 35 CO 0.02 0.37 -0.42 0.61 -1.05 0.00 0.00 178.15 177.69 1m94 n GLY 36 N 1.24 0.03 0.14 0.16 0.00 0.14 -4.93 105.19 101.98 1m94 n GLY 36 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.56 0.00 -0.94 2.61 -1.04 -1.19 -5.05 114.28 105.11 1m94 n THR 37 Ca -0.06 -0.47 0.04 0.00 -2.04 0.00 0.00 64.05 61.53 1m94 n THR 37 Cb 0.56 1.08 -0.02 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 -0.14 -2.35 0.00 -2.82 6.02 -1.26 -3.65 117.38 113.18 1m94 n GLN 38 Ca 0.02 1.86 0.04 0.00 -0.01 0.00 0.00 57.00 58.92 1m94 n GLN 38 Cb 0.11 -2.45 0.23 0.00 1.02 0.00 0.00 30.24 29.16 1m94 n GLN 38 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1m94 n PRO 39 N -2.69 0.76 -0.01 -1.09 -0.04 -1.26 -2.98 135.00 127.69 1m94 n PRO 39 Ca -0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1m94 n PRO 39 Cb 0.35 -1.16 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 1m94 n PRO 39 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1m94 n ASN 40 N -0.66 1.52 -0.54 3.54 3.02 -1.26 -4.49 115.26 116.38 1m94 n ASN 40 Ca 0.06 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.66 1m94 n ASN 40 Cb 0.03 1.67 0.13 0.00 -0.61 0.00 0.00 39.78 41.01 1m94 n ASN 40 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1m94 n LYS 41 N -2.04 2.88 -3.85 3.52 4.81 -1.16 -4.90 118.16 117.42 1m94 n LYS 41 Ca -0.03 -2.01 -0.35 0.00 -0.87 0.00 0.00 58.31 55.04 1m94 n LYS 41 Cb 0.41 -1.26 -0.08 0.00 0.02 0.00 0.00 35.03 34.12 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1m94 s ILE 42 N -1.12 5.19 -0.26 3.15 1.01 -1.21 -1.62 121.20 126.33 1m94 s ILE 42 Ca 0.21 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.99 1m94 s ILE 42 Cb 0.12 -3.35 0.07 0.00 0.01 0.00 0.00 42.46 39.31 1m94 s ILE 42 CO 0.13 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 174.78 1m94 s VAL 43 N 0.20 1.96 0.02 2.92 1.01 0.44 -4.89 120.40 122.06 1m94 s VAL 43 Ca 0.07 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 60.42 1m94 s VAL 43 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1m94 s VAL 43 CO -0.01 -0.14 0.23 -0.76 0.00 0.00 0.00 175.10 174.42 1m94 s LEU 44 N 1.17 4.36 -0.01 3.92 1.43 -1.26 -0.92 118.68 127.38 1m94 s LEU 44 Ca -0.05 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1m94 s LEU 44 Cb -0.19 -2.74 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 1m94 s LEU 44 CO -0.06 0.23 -0.06 -1.10 0.23 0.00 0.00 176.35 175.58 1m94 s GLN 45 N -2.04 0.57 -0.13 1.70 -0.21 -0.52 -0.38 119.66 118.65 1m94 s GLN 45 Ca 0.30 -0.22 -0.11 0.00 0.02 0.00 0.00 55.36 55.34 1m94 s GLN 45 Cb -0.13 -0.56 -0.08 0.00 1.00 0.00 0.00 33.01 33.24 1m94 s GLN 45 CO 0.20 0.12 0.12 0.87 -2.12 0.00 0.00 175.29 174.48 1m94 h LYS 46 N 6.11 0.00 -0.02 2.91 1.79 -1.72 -0.44 116.57 125.21 1m94 h LYS 46 Ca -0.30 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.97 1m94 h LYS 46 Cb 1.18 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.69 1m94 h LYS 46 CO 0.50 0.33 -0.45 0.41 -1.08 0.00 0.00 179.45 179.16 1m94 n GLY 47 N 1.65 -0.17 1.04 3.86 0.00 -1.26 -4.71 105.19 105.61 1m94 n GLY 47 Ca -0.08 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.67 0.72 2.92 -0.02 0.00 -1.26 -5.05 105.19 104.16 1m94 n GLY 48 Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1m94 n GLY 48 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m94 s SER 49 N -2.14 -0.06 0.46 1.61 0.15 -1.26 -5.15 113.70 107.31 1m94 s SER 49 Ca 0.00 0.14 -0.20 0.00 0.70 0.00 0.00 55.95 56.59 1m94 s SER 49 Cb 0.00 0.12 -0.10 0.00 -1.71 0.00 0.00 66.02 64.33 1m94 s SER 49 CO 0.00 -0.05 0.97 0.68 1.20 0.00 0.00 173.24 176.04 1m94 s VAL 50 N 0.27 4.35 -0.17 4.45 -7.23 -1.26 -1.92 120.40 118.88 1m94 s VAL 50 Ca -0.02 1.38 -0.07 0.00 -1.81 0.00 0.00 61.98 61.46 1m94 s VAL 50 Cb -0.03 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 1m94 s VAL 50 CO -0.01 -0.39 0.05 -0.76 -0.31 0.00 0.00 175.10 173.68 1m94 s LEU 51 N -3.43 3.78 -0.01 1.32 1.43 0.49 -4.87 118.68 117.38 1m94 s LEU 51 Ca 0.62 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1m94 s LEU 51 Cb -0.10 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1m94 s LEU 51 CO 0.18 0.19 0.13 -0.75 0.23 0.00 0.00 176.35 176.33 1m94 s LYS 52 N 0.28 3.26 0.57 1.70 2.47 -1.26 -4.61 119.74 122.14 1m94 s LYS 52 Ca 0.03 -0.39 0.30 0.00 -1.56 0.00 0.00 55.97 54.35 1m94 s LYS 52 Cb -0.12 -2.99 1.73 0.00 -1.46 0.00 0.00 37.83 34.99 1m94 s LYS 52 CO 0.00 0.67 2.19 0.38 0.16 0.00 0.00 175.35 178.76 1m94 h ASP 53 N 4.00 0.00 0.68 1.43 2.03 -1.96 -1.42 116.42 121.19 1m94 h ASP 53 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1m94 h ASP 53 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1m94 h ASP 53 CO 0.65 0.04 0.00 1.41 -1.03 0.00 0.00 179.24 180.32 1m94 n HIS 54 N -3.71 0.78 -4.37 4.15 8.25 -1.26 -3.99 115.22 115.06 1m94 n HIS 54 Ca -0.03 0.31 -0.33 0.00 -0.26 0.00 0.00 57.72 57.41 1m94 n HIS 54 Cb 0.14 -1.00 -0.09 0.00 1.12 0.00 0.00 29.99 30.16 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 4.11 0.51 1.59 1.09 -0.53 -5.02 121.20 119.62 1m94 s ILE 55 Ca 0.04 -0.48 -0.18 0.00 -1.10 0.00 0.00 60.65 58.93 1m94 s ILE 55 Cb 0.09 -2.77 -0.08 0.00 -1.06 0.00 0.00 42.46 38.64 1m94 s ILE 55 CO 0.38 0.49 1.01 -0.55 -0.10 0.00 0.00 174.94 176.16 1m94 s SER 56 N -1.22 6.41 0.34 3.58 0.15 -1.26 -2.31 113.70 119.39 1m94 s SER 56 Ca 0.16 1.77 0.01 0.00 0.70 0.00 0.00 55.95 58.59 1m94 s SER 56 Cb -0.11 -2.54 0.59 0.00 -1.71 0.00 0.00 66.02 62.25 1m94 s SER 56 CO 0.06 -0.73 1.99 -0.07 1.20 0.00 0.00 173.24 175.69 1m94 h LEU 57 N 1.22 0.76 -1.35 3.45 3.38 -0.92 -1.68 115.31 120.18 1m94 h LEU 57 Ca -0.48 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.52 1m94 h LEU 57 Cb 1.20 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1m94 h LEU 57 CO 0.60 0.57 0.49 -0.08 0.09 0.00 0.00 178.44 180.11 1m94 h GLU 58 N 0.88 0.77 -0.29 1.13 4.81 -0.91 0.30 114.58 121.26 1m94 h GLU 58 Ca 0.23 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1m94 h GLU 58 Cb -0.07 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1m94 h GLU 58 CO -0.05 0.51 0.06 -0.44 -0.73 0.00 0.00 179.01 178.36 1m94 h ASP 59 N 0.79 0.45 0.96 1.04 3.32 -1.60 -2.31 116.42 119.06 1m94 h ASP 59 Ca 0.33 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1m94 h ASP 59 Cb 0.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1m94 h ASP 59 CO -0.11 0.58 0.00 1.88 -1.72 0.00 0.00 179.24 179.87 1m94 h TYR 60 N 0.30 0.00 -3.76 4.55 0.05 -1.26 -3.48 116.97 113.37 1m94 h TYR 60 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1m94 h TYR 60 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1m94 h TYR 60 CO 0.02 0.00 -0.11 -1.91 -1.05 0.00 0.00 178.16 175.11 1m94 n GLU 61 N -2.61 -0.66 -3.59 4.88 0.00 0.02 -5.02 120.64 113.66 1m94 n GLU 61 Ca 0.02 0.96 -0.40 0.00 0.00 0.00 0.00 57.16 57.74 1m94 n GLU 61 Cb 0.29 -2.90 -0.11 0.00 0.00 0.00 0.00 31.44 28.72 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 -2.06 4.81 0.48 6.31 1.01 -1.17 -5.03 120.40 124.76 1m94 s VAL 62 Ca 0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1m94 s VAL 62 Cb -0.01 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1m94 s VAL 62 CO 0.25 -0.07 0.75 -2.28 0.00 0.00 0.00 175.10 173.75 1m94 s HIS 63 N 1.63 3.34 0.33 5.22 2.46 -1.26 -4.87 115.29 122.14 1m94 s HIS 63 Ca 0.04 0.49 -0.28 0.00 0.47 0.00 0.00 55.06 55.78 1m94 s HIS 63 Cb -0.18 -2.38 -0.10 0.00 -0.13 0.00 0.00 32.58 29.80 1m94 s HIS 63 CO 0.08 -0.41 1.21 0.16 -2.47 0.00 0.00 174.74 173.31 1m94 s ASP 64 N -4.20 6.85 -1.67 9.88 -4.77 -1.26 -2.75 116.67 118.75 1m94 s ASP 64 Ca 0.49 2.49 -0.01 0.00 -3.30 0.00 0.00 52.55 52.21 1m94 s ASP 64 Cb -0.10 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 1m94 s ASP 64 CO 0.41 -0.46 0.12 0.00 0.70 0.00 0.00 175.17 175.95 1m94 n GLN 65 N 0.73 -2.26 -2.76 2.11 3.00 -0.05 -4.97 117.38 113.18 1m94 n GLN 65 Ca 0.01 0.96 -0.29 0.00 -0.01 0.00 0.00 57.00 57.66 1m94 n GLN 65 Cb 0.44 -5.61 -0.02 0.00 0.00 0.00 0.00 30.24 25.05 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 -3.04 4.83 -0.30 5.09 -1.32 -1.11 -4.80 115.64 115.00 1m94 s THR 66 Ca 0.06 0.47 -0.11 0.00 -1.21 0.00 0.00 61.69 60.89 1m94 s THR 66 Cb -0.03 -3.78 -0.04 0.00 -1.51 0.00 0.00 72.50 67.15 1m94 s THR 66 CO 0.08 -0.65 0.20 0.20 -2.21 0.00 0.00 174.62 172.24 1m94 s ASN 67 N -3.51 5.98 0.46 8.08 0.01 -1.26 -1.72 114.94 122.97 1m94 s ASN 67 Ca 0.50 -0.18 0.07 0.00 -0.71 0.00 0.00 52.86 52.53 1m94 s ASN 67 Cb -0.10 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 1m94 s ASN 67 CO 0.37 -0.12 0.30 -0.76 -1.51 0.00 0.00 177.10 175.37 1m94 s LEU 68 N 1.73 3.02 -0.10 0.60 1.43 0.39 -4.99 118.68 120.77 1m94 s LEU 68 Ca 0.07 -1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.07 1m94 s LEU 68 Cb -0.16 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1m94 s LEU 68 CO 0.10 -0.77 0.02 -1.61 0.23 0.00 0.00 176.35 174.32 1m94 s GLU 69 N -4.09 3.13 -0.09 1.70 8.01 -0.18 -0.69 118.70 126.50 1m94 s GLU 69 Ca 0.39 -0.38 0.04 0.00 0.01 0.00 0.00 54.97 55.03 1m94 s GLU 69 Cb -0.00 -2.87 0.00 0.00 -4.31 0.00 0.00 34.13 26.96 1m94 s GLU 69 CO 0.23 0.66 -0.21 -1.17 0.01 0.00 0.00 175.26 174.77 1m94 s LEU 70 N -0.75 1.98 0.03 1.80 2.96 0.24 -1.44 118.68 123.49 1m94 s LEU 70 Ca 0.12 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1m94 s LEU 70 Cb -0.12 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 1m94 s LEU 70 CO 0.02 0.14 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.83 1m94 s TYR 71 N 0.37 0.43 -0.30 5.38 2.02 -0.09 -4.11 117.35 121.05 1m94 s TYR 71 Ca -0.17 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.00 1m94 s TYR 71 Cb -0.17 -0.27 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 1m94 s TYR 71 CO 0.07 -0.11 0.18 0.71 -1.57 0.00 0.00 175.55 174.83 1m94 s TYR 72 N -1.18 3.19 0.00 2.71 2.02 -1.26 -0.42 117.35 122.41 1m94 s TYR 72 Ca -0.10 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1m94 s TYR 72 Cb -0.08 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.09 1m94 s TYR 72 CO -0.00 -0.31 0.00 -0.11 -1.57 0.00 0.00 175.55 173.56