#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 2.26 -0.34 1.12 -4.36 -0.45 -4.93 121.20 114.49 1m94 s ILE 2 Ca 0.00 -2.31 -0.05 0.00 -0.26 0.00 0.00 60.65 58.04 1m94 s ILE 2 Cb 0.00 -2.38 0.06 0.00 1.25 0.00 0.00 42.46 41.39 1m94 s ILE 2 CO 0.00 -0.36 0.10 -0.70 0.24 0.00 0.00 174.94 174.22 1m94 s GLU 3 N -3.57 2.46 0.24 0.37 2.56 -1.26 -1.58 118.70 117.93 1m94 s GLU 3 Ca 0.30 -1.33 0.09 0.00 0.00 0.00 0.00 54.97 54.03 1m94 s GLU 3 Cb -0.02 -3.42 -0.04 0.00 2.00 0.00 0.00 34.13 32.65 1m94 s GLU 3 CO 0.14 -0.74 -0.01 0.14 -0.56 0.00 0.00 175.26 174.23 1m94 s VAL 4 N 1.32 3.46 0.03 3.70 -7.23 -0.67 0.05 120.40 121.05 1m94 s VAL 4 Ca -0.01 -1.82 0.08 0.00 -1.81 0.00 0.00 61.98 58.42 1m94 s VAL 4 Cb -0.20 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 1m94 s VAL 4 CO 0.00 -0.31 -0.24 0.68 -0.31 0.00 0.00 175.10 174.93 1m94 s VAL 5 N -2.17 1.89 -0.11 1.32 -7.23 -0.98 -1.23 120.40 111.89 1m94 s VAL 5 Ca 0.30 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1m94 s VAL 5 Cb -0.07 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 1m94 s VAL 5 CO 0.19 0.35 -0.20 0.68 -0.31 0.00 0.00 175.10 175.82 1m94 s VAL 6 N -0.73 2.45 -0.26 1.32 -7.23 0.09 -0.38 120.40 115.66 1m94 s VAL 6 Ca 0.10 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1m94 s VAL 6 Cb -0.09 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.88 1m94 s VAL 6 CO 0.01 0.55 0.00 0.20 -0.31 0.00 0.00 175.10 175.55 1m94 s ASN 7 N 0.31 4.65 0.31 4.85 0.01 -0.01 -1.69 114.94 123.38 1m94 s ASN 7 Ca -0.15 -0.68 -0.27 0.00 -0.71 0.00 0.00 52.86 51.04 1m94 s ASN 7 Cb -0.17 -1.77 -0.09 0.00 0.41 0.00 0.00 41.25 39.62 1m94 s ASN 7 CO 0.07 -0.13 1.02 -0.62 -1.51 0.00 0.00 177.10 175.94 1m94 s ASP 8 N 1.43 7.23 0.32 -1.22 -1.08 -0.09 -1.31 116.67 121.95 1m94 s ASP 8 Ca 0.02 2.06 0.02 0.00 -0.52 0.00 0.00 52.55 54.13 1m94 s ASP 8 Cb -0.16 -2.60 0.52 0.00 -1.46 0.00 0.00 42.92 39.22 1m94 s ASP 8 CO -0.01 -0.16 1.87 -0.09 0.52 0.00 0.00 175.17 177.30 1m94 h ARG 9 N 3.41 0.69 -0.11 4.34 9.65 -1.87 -2.84 114.38 127.65 1m94 h ARG 9 Ca -0.47 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.27 1m94 h ARG 9 Cb 1.21 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1m94 h ARG 9 CO 0.66 0.63 0.03 -0.07 2.80 0.00 0.00 179.97 184.01 1m94 h LEU 10 N 0.67 0.16 0.00 3.80 3.38 -1.92 -3.46 115.31 117.94 1m94 h LEU 10 Ca 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1m94 h LEU 10 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1m94 h LEU 10 CO -0.00 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1m94 n GLY 11 N -0.51 -0.63 2.77 0.83 0.00 -1.07 -5.15 105.19 101.43 1m94 n GLY 11 Ca -0.06 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1m94 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m94 s LYS 12 N 0.00 0.28 -0.35 1.61 1.02 -1.24 -4.95 119.74 116.10 1m94 s LYS 12 Ca 0.00 0.04 -0.13 0.00 0.02 0.00 0.00 55.97 55.89 1m94 s LYS 12 Cb 0.00 -0.84 -0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1m94 s LYS 12 CO 0.00 -0.86 0.26 0.21 -0.92 0.00 0.00 175.35 174.04 1m94 s LYS 13 N 2.36 3.42 0.03 1.68 2.36 -1.26 -0.91 119.74 127.42 1m94 s LYS 13 Ca 0.09 -0.69 0.06 0.00 -2.55 0.00 0.00 55.97 52.88 1m94 s LYS 13 Cb -0.15 -3.83 -0.02 0.00 -1.05 0.00 0.00 37.83 32.78 1m94 s LYS 13 CO -0.24 -0.50 -0.18 0.08 1.55 0.00 0.00 175.35 176.06 1m94 s VAL 14 N 1.74 1.45 -0.11 4.02 1.01 -0.68 -4.99 120.40 122.84 1m94 s VAL 14 Ca 0.06 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1m94 s VAL 14 Cb -0.18 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1m94 s VAL 14 CO 0.11 0.18 -0.03 0.00 0.00 0.00 0.00 175.10 175.35 1m94 s ARG 15 N -1.04 3.17 -0.08 2.72 1.70 -1.26 -0.73 118.95 123.43 1m94 s ARG 15 Ca 0.06 -0.48 -0.07 0.00 -0.47 0.00 0.00 55.73 54.77 1m94 s ARG 15 Cb -0.08 -2.79 0.02 0.00 -0.57 0.00 0.00 34.95 31.53 1m94 s ARG 15 CO 0.01 0.53 0.20 0.54 -1.08 0.00 0.00 175.30 175.51 1m94 s VAL 16 N -0.43 -0.00 -0.08 4.99 0.11 -0.37 -5.00 120.40 119.61 1m94 s VAL 16 Ca 0.07 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1m94 s VAL 16 Cb -0.12 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 1m94 s VAL 16 CO 0.02 0.01 -0.07 -1.59 -3.33 0.00 0.00 175.10 170.14 1m94 s LYS 17 N 0.22 2.88 0.17 1.54 -2.85 -1.26 -1.67 119.74 118.77 1m94 s LYS 17 Ca -0.01 -0.55 -0.17 0.00 -1.00 0.00 0.00 55.97 54.24 1m94 s LYS 17 Cb -0.02 -2.63 0.03 0.00 -2.06 0.00 0.00 37.83 33.15 1m94 s LYS 17 CO -0.01 0.60 0.48 0.00 0.10 0.00 0.00 175.35 176.52 1m94 s LEU 19 N -2.86 4.26 0.58 0.00 1.43 -1.26 -1.34 118.68 119.48 1m94 s LEU 19 Ca 0.08 1.72 0.34 0.00 -1.03 0.00 0.00 54.13 55.24 1m94 s LEU 19 Cb 0.00 -4.04 1.77 0.00 0.03 0.00 0.00 46.19 43.95 1m94 s LEU 19 CO -0.05 -0.11 2.17 0.00 0.23 0.00 0.00 176.35 178.59 1m94 h ALA 20 N 2.95 1.18 0.00 4.21 0.00 -1.95 -1.43 119.26 124.22 1m94 h ALA 20 Ca -0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1m94 h ALA 20 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1m94 h ALA 20 CO 0.64 0.06 -0.33 1.05 0.00 0.00 0.00 179.25 180.68 1m94 h GLU 21 N 0.00 0.00 -7.12 0.00 -0.00 -1.94 0.12 114.58 105.63 1m94 h GLU 21 Ca -0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 59.36 58.82 1m94 h GLU 21 Cb 0.23 0.00 0.14 0.00 -0.00 0.00 0.00 28.75 29.12 1m94 h GLU 21 CO 0.01 0.16 0.46 -0.51 -0.00 0.00 0.00 179.01 179.13 1m94 s ASP 22 N -6.17 4.75 0.66 3.06 1.01 -0.54 -4.65 116.67 114.80 1m94 s ASP 22 Ca 0.05 2.44 -0.10 0.00 0.71 0.00 0.00 52.55 55.65 1m94 s ASP 22 Cb 0.06 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.40 1m94 s ASP 22 CO 0.71 -1.90 1.03 -0.94 0.21 0.00 0.00 175.17 174.29 1m94 s SER 23 N -1.67 5.58 0.38 0.27 1.04 -1.26 -1.61 113.70 116.43 1m94 s SER 23 Ca 0.78 1.05 0.06 0.00 0.48 0.00 0.00 55.95 58.32 1m94 s SER 23 Cb -0.32 -1.93 0.76 0.00 0.10 0.00 0.00 66.02 64.62 1m94 s SER 23 CO 0.38 -1.21 2.00 0.58 0.98 0.00 0.00 173.24 175.97 1m94 h VAL 24 N -0.48 1.14 -0.61 5.02 2.07 -1.58 -1.28 116.25 120.52 1m94 h VAL 24 Ca -0.45 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1m94 h VAL 24 Cb 1.25 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1m94 h VAL 24 CO 0.63 0.16 0.38 1.23 0.02 0.00 0.00 177.57 179.99 1m94 h GLY 25 N 0.67 0.87 1.36 2.17 0.00 -1.80 0.13 103.07 106.47 1m94 h GLY 25 Ca 0.15 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 1m94 h GLY 25 CO -0.02 0.25 -0.24 -1.80 0.00 0.00 0.00 176.54 174.73 1m94 h ASP 26 N 0.75 0.75 -0.44 0.19 1.82 -1.70 -0.77 116.42 117.03 1m94 h ASP 26 Ca 0.24 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1m94 h ASP 26 Cb 0.00 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.78 1m94 h ASP 26 CO -0.09 0.97 0.22 0.15 -1.61 0.00 0.00 179.24 178.87 1m94 h PHE 27 N 0.64 0.62 -0.20 0.28 3.57 -0.33 -1.90 116.94 119.63 1m94 h PHE 27 Ca 0.09 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1m94 h PHE 27 Cb 0.74 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1m94 h PHE 27 CO 0.04 0.49 -0.32 0.87 -2.23 0.00 0.00 178.31 177.16 1m94 h LYS 28 N 0.57 0.40 -0.54 1.11 1.57 -0.59 -2.70 116.57 116.39 1m94 h LYS 28 Ca 0.15 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1m94 h LYS 28 Cb 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1m94 h LYS 28 CO -0.02 0.68 0.31 0.87 -0.57 0.00 0.00 179.45 180.71 1m94 h LYS 29 N 0.35 0.75 -0.72 3.15 1.57 -0.60 0.72 116.57 121.79 1m94 h LYS 29 Ca 0.04 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1m94 h LYS 29 Cb 0.73 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1m94 h LYS 29 CO 0.06 0.57 0.19 0.28 -0.57 0.00 0.00 179.45 179.97 1m94 h VAL 30 N 0.72 1.26 -0.40 0.50 2.07 -1.20 -2.48 116.25 116.73 1m94 h VAL 30 Ca 0.19 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1m94 h VAL 30 Cb 0.03 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1m94 h VAL 30 CO -0.03 0.37 -0.11 -0.07 0.02 0.00 0.00 177.57 177.75 1m94 h LEU 31 N 1.08 0.69 -1.37 2.57 3.38 -1.12 -2.72 115.31 117.82 1m94 h LEU 31 Ca 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1m94 h LEU 31 Cb 0.36 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1m94 h LEU 31 CO 0.00 0.83 0.11 0.28 0.09 0.00 0.00 178.44 179.75 1m94 h SER 32 N 0.64 0.49 0.55 -0.43 0.02 -0.43 -1.59 113.55 112.80 1m94 h SER 32 Ca 0.11 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1m94 h SER 32 Cb 0.57 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1m94 h SER 32 CO 0.04 0.48 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.80 1m94 h LEU 33 N 0.53 0.00 0.10 5.07 3.38 -1.15 0.39 115.31 123.63 1m94 h LEU 33 Ca 0.13 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1m94 h LEU 33 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1m94 h LEU 33 CO -0.01 0.33 -0.90 1.56 0.09 0.00 0.00 178.44 179.51 1m94 h GLN 34 N 0.00 0.21 0.00 1.13 4.20 -1.27 -3.42 115.11 115.95 1m94 h GLN 34 Ca -0.00 -0.36 -0.26 0.00 0.06 0.00 0.00 58.65 58.08 1m94 h GLN 34 Cb 0.69 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 1m94 h GLN 34 CO 0.04 1.17 -1.94 0.44 -0.67 0.00 0.00 178.83 177.88 1m94 n ILE 35 N -4.17 0.93 0.00 2.54 -5.35 -0.71 -5.07 119.36 107.53 1m94 n ILE 35 Ca -0.18 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1m94 n ILE 35 Cb 0.78 -1.38 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 1m94 n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1m94 n GLY 36 N 2.35 0.69 0.00 3.28 0.00 0.14 -5.05 105.19 106.60 1m94 n GLY 36 Ca -0.31 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1m94 n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m94 n THR 37 N 0.00 0.00 -0.95 2.61 -2.24 -1.26 -5.04 114.28 107.40 1m94 n THR 37 Ca 0.00 -0.25 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1m94 n THR 37 Cb 0.00 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 1m94 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m94 n GLN 38 N -1.59 -2.33 -1.27 -0.78 3.00 -1.26 -3.53 117.38 109.62 1m94 n GLN 38 Ca -0.00 1.86 -0.37 0.00 -0.01 0.00 0.00 57.00 58.49 1m94 n GLN 38 Cb 0.25 -2.51 -0.02 0.00 0.00 0.00 0.00 30.24 27.95 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 -2.97 2.75 0.00 -1.09 -0.04 -1.26 -3.29 135.00 129.10 1m94 n PRO 39 Ca -0.04 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1m94 n PRO 39 Cb 0.38 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 1m94 n PRO 39 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1m94 n ASN 40 N 5.04 0.00 -0.77 3.54 2.85 -1.26 -4.92 115.26 119.74 1m94 n ASN 40 Ca 0.59 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 55.16 1m94 n ASN 40 Cb 0.28 0.12 0.29 0.00 1.24 0.00 0.00 39.78 41.71 1m94 n ASN 40 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1m94 n LYS 41 N -1.60 1.99 -3.64 1.20 4.81 -1.21 -4.80 118.16 114.91 1m94 n LYS 41 Ca 0.00 -1.51 -0.36 0.00 -0.87 0.00 0.00 58.31 55.57 1m94 n LYS 41 Cb 0.00 -1.41 -0.08 0.00 0.02 0.00 0.00 35.03 33.56 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 -1.62 5.36 -0.27 3.15 1.01 -1.25 -1.53 121.20 126.05 1m94 s ILE 42 Ca 0.33 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.32 1m94 s ILE 42 Cb 0.18 -3.53 0.07 0.00 0.01 0.00 0.00 42.46 39.18 1m94 s ILE 42 CO 0.26 0.39 -0.08 -0.69 0.00 0.00 0.00 174.94 174.82 1m94 s VAL 43 N 0.62 2.05 -0.07 2.92 1.01 0.47 -4.91 120.40 122.49 1m94 s VAL 43 Ca 0.11 -1.65 -0.07 0.00 0.00 0.00 0.00 61.98 60.36 1m94 s VAL 43 Cb -0.12 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1m94 s VAL 43 CO 0.02 -0.12 0.19 -0.76 0.00 0.00 0.00 175.10 174.42 1m94 s LEU 44 N 1.13 4.39 -0.09 3.92 1.43 -1.26 -0.37 118.68 127.84 1m94 s LEU 44 Ca -0.06 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1m94 s LEU 44 Cb -0.20 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1m94 s LEU 44 CO -0.06 0.36 -0.17 -1.10 0.23 0.00 0.00 176.35 175.61 1m94 s GLN 45 N -1.27 2.33 -0.41 1.70 -1.52 -0.10 -1.00 119.66 119.39 1m94 s GLN 45 Ca 0.19 -0.62 0.04 0.00 -1.95 0.00 0.00 55.36 53.02 1m94 s GLN 45 Cb -0.13 -1.87 0.11 0.00 -0.22 0.00 0.00 33.01 30.91 1m94 s GLN 45 CO 0.09 0.05 0.14 0.21 -0.25 0.00 0.00 175.29 175.53 1m94 s LYS 46 N 0.64 1.64 -0.76 2.91 2.36 0.09 -1.55 119.74 125.07 1m94 s LYS 46 Ca -0.14 -2.15 -0.00 0.00 -2.55 0.00 0.00 55.97 51.13 1m94 s LYS 46 Cb -0.16 -3.18 0.00 0.00 -1.05 0.00 0.00 37.83 33.44 1m94 s LYS 46 CO 0.04 -1.02 0.64 0.41 1.55 0.00 0.00 175.35 176.97 1m94 n GLY 47 N 3.80 -0.07 2.71 5.54 0.00 -1.26 -3.57 105.19 112.34 1m94 n GLY 47 Ca 0.04 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.09 -0.10 3.32 -0.02 0.00 -1.26 -5.03 105.19 101.01 1m94 n GLY 48 Ca -0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1m94 n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m94 s SER 49 N -3.81 -0.55 0.21 1.61 0.01 -1.23 -5.15 113.70 104.79 1m94 s SER 49 Ca 0.07 0.96 -0.30 0.00 1.31 0.00 0.00 55.95 57.99 1m94 s SER 49 Cb -0.03 0.87 -0.08 0.00 0.21 0.00 0.00 66.02 66.99 1m94 s SER 49 CO 0.50 -0.19 0.98 0.54 0.41 0.00 0.00 173.24 175.48 1m94 s VAL 50 N 1.16 4.08 -0.28 3.43 0.11 -1.26 -0.73 120.40 126.90 1m94 s VAL 50 Ca -0.07 1.97 -0.12 0.00 -2.93 0.00 0.00 61.98 60.82 1m94 s VAL 50 Cb -0.07 -4.25 -0.05 0.00 -1.53 0.00 0.00 36.38 30.48 1m94 s VAL 50 CO -0.10 0.42 0.23 -0.76 -3.33 0.00 0.00 175.10 171.55 1m94 s LEU 51 N -0.86 4.04 0.03 2.54 1.43 -0.17 -4.91 118.68 120.79 1m94 s LEU 51 Ca 0.44 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1m94 s LEU 51 Cb -0.26 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1m94 s LEU 51 CO 0.33 -0.08 0.10 -0.54 0.23 0.00 0.00 176.35 176.38 1m94 s LYS 52 N 1.82 3.05 0.56 1.70 -0.14 -1.26 -4.54 119.74 120.92 1m94 s LYS 52 Ca 0.08 -0.55 0.23 0.00 -1.36 0.00 0.00 55.97 54.38 1m94 s LYS 52 Cb -0.16 -2.84 1.55 0.00 -1.68 0.00 0.00 37.83 34.70 1m94 s LYS 52 CO 0.11 0.62 2.20 0.38 -0.76 0.00 0.00 175.35 177.89 1m94 h ASP 53 N 3.70 0.00 0.61 2.83 2.03 -1.96 -1.05 116.42 122.58 1m94 h ASP 53 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1m94 h ASP 53 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1m94 h ASP 53 CO 0.65 0.00 0.00 0.45 -1.03 0.00 0.00 179.24 179.31 1m94 h HIS 54 N 0.00 0.00 -3.25 4.15 3.86 -1.97 -3.35 115.15 114.59 1m94 h HIS 54 Ca 0.01 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.57 1m94 h HIS 54 Cb 0.04 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.40 1m94 h HIS 54 CO 0.00 0.00 -0.62 0.42 0.86 0.00 0.00 177.93 178.59 1m94 s ILE 55 N -3.64 4.34 0.41 2.45 1.09 -0.40 -5.02 121.20 120.43 1m94 s ILE 55 Ca 0.00 -0.77 -0.09 0.00 -1.10 0.00 0.00 60.65 58.70 1m94 s ILE 55 Cb 0.09 -3.05 -0.06 0.00 -1.06 0.00 0.00 42.46 38.39 1m94 s ILE 55 CO 0.43 0.19 0.76 -0.94 -0.10 0.00 0.00 174.94 175.27 1m94 s SER 56 N -2.16 6.46 0.40 3.58 1.04 -1.26 -2.11 113.70 119.65 1m94 s SER 56 Ca 0.26 1.06 0.06 0.00 0.48 0.00 0.00 55.95 57.81 1m94 s SER 56 Cb -0.12 -2.30 0.81 0.00 0.10 0.00 0.00 66.02 64.51 1m94 s SER 56 CO 0.18 -0.42 2.04 -0.07 0.98 0.00 0.00 173.24 175.95 1m94 h LEU 57 N 1.09 0.51 -1.18 2.42 3.38 -1.41 -1.46 115.31 118.65 1m94 h LEU 57 Ca -0.47 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1m94 h LEU 57 Cb 1.19 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1m94 h LEU 57 CO 0.64 0.39 0.22 -0.33 0.09 0.00 0.00 178.44 179.44 1m94 h GLU 58 N 0.59 0.79 -0.42 1.13 4.39 -0.98 -0.78 114.58 119.30 1m94 h GLU 58 Ca 0.16 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1m94 h GLU 58 Cb -0.03 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1m94 h GLU 58 CO -0.03 0.65 0.14 -0.44 -1.16 0.00 0.00 179.01 178.17 1m94 h ASP 59 N 0.78 0.60 1.10 1.42 3.32 -1.56 -2.08 116.42 120.01 1m94 h ASP 59 Ca 0.19 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1m94 h ASP 59 Cb 0.16 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1m94 h ASP 59 CO -0.02 0.63 0.00 1.88 -1.72 0.00 0.00 179.24 180.02 1m94 h TYR 60 N 0.54 0.00 -3.81 4.55 0.05 -1.30 -3.48 116.97 113.52 1m94 h TYR 60 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1m94 h TYR 60 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1m94 h TYR 60 CO 0.01 0.00 -0.10 -1.91 -1.05 0.00 0.00 178.16 175.10 1m94 n GLU 61 N -2.60 -0.68 -3.69 4.88 0.00 -0.34 -5.02 120.64 113.19 1m94 n GLU 61 Ca 0.02 0.98 -0.37 0.00 0.00 0.00 0.00 57.16 57.79 1m94 n GLU 61 Cb 0.32 -2.97 -0.12 0.00 0.00 0.00 0.00 31.44 28.68 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 -2.14 4.68 0.44 6.31 1.01 -1.14 -5.04 120.40 124.52 1m94 s VAL 62 Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1m94 s VAL 62 Cb -0.01 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1m94 s VAL 62 CO 0.27 0.30 0.63 -1.00 0.00 0.00 0.00 175.10 175.29 1m94 s HIS 63 N 1.67 3.01 0.34 5.22 3.76 -1.26 -4.89 115.29 123.14 1m94 s HIS 63 Ca 0.07 -0.08 -0.27 0.00 -0.15 0.00 0.00 55.06 54.62 1m94 s HIS 63 Cb -0.15 -2.36 -0.09 0.00 1.11 0.00 0.00 32.58 31.08 1m94 s HIS 63 CO 0.06 -0.42 1.13 0.16 -0.85 0.00 0.00 174.74 174.83 1m94 s ASP 64 N -4.29 6.90 -1.58 1.40 -4.77 -1.26 -3.02 116.67 110.05 1m94 s ASP 64 Ca 0.51 2.29 -0.01 0.00 -3.30 0.00 0.00 52.55 52.05 1m94 s ASP 64 Cb -0.10 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 1m94 s ASP 64 CO 0.35 -0.40 0.12 0.00 0.70 0.00 0.00 175.17 175.94 1m94 n GLN 65 N 0.59 -2.18 -3.12 2.11 3.00 0.11 -4.93 117.38 112.96 1m94 n GLN 65 Ca 0.02 0.90 -0.29 0.00 -0.01 0.00 0.00 57.00 57.62 1m94 n GLN 65 Cb 0.46 -5.49 -0.03 0.00 0.00 0.00 0.00 30.24 25.18 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 -2.99 4.94 -0.25 5.09 -1.32 -1.17 -4.90 115.64 115.05 1m94 s THR 66 Ca 0.06 0.24 -0.12 0.00 -1.21 0.00 0.00 61.69 60.66 1m94 s THR 66 Cb -0.03 -3.75 -0.05 0.00 -1.51 0.00 0.00 72.50 67.17 1m94 s THR 66 CO 0.08 -0.44 0.23 0.21 -2.21 0.00 0.00 174.62 172.49 1m94 s ASN 67 N -3.28 6.16 0.29 8.08 3.84 -1.26 -2.31 114.94 126.46 1m94 s ASN 67 Ca 0.47 0.16 0.09 0.00 0.21 0.00 0.00 52.86 53.79 1m94 s ASN 67 Cb -0.10 -2.14 -0.05 0.00 -0.55 0.00 0.00 41.25 38.41 1m94 s ASN 67 CO 0.32 -0.02 0.01 -0.76 -2.79 0.00 0.00 177.10 173.85 1m94 s LEU 68 N 1.43 3.12 -0.12 3.21 1.43 0.49 -4.88 118.68 123.37 1m94 s LEU 68 Ca 0.10 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.39 1m94 s LEU 68 Cb -0.15 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1m94 s LEU 68 CO 0.08 -0.08 0.09 -0.70 0.23 0.00 0.00 176.35 175.96 1m94 s GLU 69 N -3.70 3.42 0.02 1.70 -6.30 -0.59 -0.83 118.70 112.42 1m94 s GLU 69 Ca 0.33 -0.25 0.05 0.00 -2.50 0.00 0.00 54.97 52.60 1m94 s GLU 69 Cb -0.05 -3.09 -0.03 0.00 0.00 0.00 0.00 34.13 30.96 1m94 s GLU 69 CO 0.20 0.66 -0.13 -1.17 0.02 0.00 0.00 175.26 174.84 1m94 s LEU 70 N -0.71 2.87 -0.01 2.70 2.96 -0.43 -0.92 118.68 125.14 1m94 s LEU 70 Ca 0.12 -0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 53.65 1m94 s LEU 70 Cb -0.12 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1m94 s LEU 70 CO 0.03 0.28 0.21 -0.31 -1.32 0.00 0.00 176.35 175.23 1m94 s TYR 71 N -0.94 -0.06 -0.16 5.38 2.02 0.50 -2.91 117.35 121.19 1m94 s TYR 71 Ca 0.15 0.05 -0.05 0.00 -0.37 0.00 0.00 57.07 56.86 1m94 s TYR 71 Cb -0.11 0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.43 1m94 s TYR 71 CO 0.06 -0.32 0.00 0.71 -1.57 0.00 0.00 175.55 174.43 1m94 s TYR 72 N -1.28 3.11 -2.00 2.71 2.02 -1.26 -0.39 117.35 120.26 1m94 s TYR 72 Ca -0.14 -0.15 0.23 0.00 -0.37 0.00 0.00 57.07 56.65 1m94 s TYR 72 Cb -0.06 -2.00 1.39 0.00 -0.40 0.00 0.00 41.96 40.89 1m94 s TYR 72 CO 0.02 0.05 1.76 -0.11 -1.57 0.00 0.00 175.55 175.70