#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 1.82 -0.28 1.12 -4.36 -0.25 -4.94 121.20 114.31 1m94 s ILE 2 Ca 0.00 -2.19 -0.02 0.00 -0.26 0.00 0.00 60.65 58.18 1m94 s ILE 2 Cb 0.00 -2.31 0.04 0.00 1.25 0.00 0.00 42.46 41.44 1m94 s ILE 2 CO 0.00 -0.40 -0.02 -0.70 0.24 0.00 0.00 174.94 174.06 1m94 s GLU 3 N -3.66 2.56 0.23 0.37 -6.30 -1.26 -1.36 118.70 109.27 1m94 s GLU 3 Ca 0.27 -1.17 0.09 0.00 -2.50 0.00 0.00 54.97 51.66 1m94 s GLU 3 Cb 0.01 -3.12 -0.04 0.00 0.00 0.00 0.00 34.13 30.97 1m94 s GLU 3 CO 0.11 -0.55 -0.02 0.14 0.02 0.00 0.00 175.26 174.96 1m94 s VAL 4 N 1.28 3.46 0.04 3.70 -7.23 -0.55 -0.11 120.40 120.98 1m94 s VAL 4 Ca -0.04 -1.76 0.08 0.00 -1.81 0.00 0.00 61.98 58.46 1m94 s VAL 4 Cb -0.19 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1m94 s VAL 4 CO -0.02 -0.27 -0.23 0.68 -0.31 0.00 0.00 175.10 174.95 1m94 s VAL 5 N -2.08 2.38 -0.05 1.32 -7.23 -0.91 -1.26 120.40 112.57 1m94 s VAL 5 Ca 0.29 -1.31 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 1m94 s VAL 5 Cb -0.07 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1m94 s VAL 5 CO 0.19 0.36 -0.22 0.68 -0.31 0.00 0.00 175.10 175.79 1m94 s VAL 6 N -0.85 1.83 -0.07 1.32 -7.23 0.38 -0.49 120.40 115.30 1m94 s VAL 6 Ca 0.13 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1m94 s VAL 6 Cb -0.10 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 1m94 s VAL 6 CO 0.03 0.51 -0.13 0.20 -0.31 0.00 0.00 175.10 175.41 1m94 s ASN 7 N -0.08 4.11 -0.11 4.85 0.01 -0.05 -0.91 114.94 122.76 1m94 s ASN 7 Ca -0.04 -0.21 -0.02 0.00 -0.71 0.00 0.00 52.86 51.88 1m94 s ASN 7 Cb -0.13 -1.10 -0.01 0.00 0.41 0.00 0.00 41.25 40.42 1m94 s ASN 7 CO 0.03 0.30 -0.04 0.44 -1.51 0.00 0.00 177.10 176.32 1m94 h ASP 8 N 5.71 0.00 0.00 -1.22 5.19 -1.65 0.57 116.42 125.02 1m94 h ASP 8 Ca -0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1m94 h ASP 8 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1m94 h ASP 8 CO 0.52 0.55 0.00 -1.14 -3.12 0.00 0.00 179.24 176.05 1m94 n ARG 9 N -4.67 0.00 -3.76 3.56 3.00 -1.26 -4.61 116.66 108.92 1m94 n ARG 9 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.69 1m94 n ARG 9 Cb 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.37 1m94 n ARG 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1m94 s LEU 10 N -5.95 0.89 -1.35 6.15 1.02 -1.26 -4.85 118.68 113.33 1m94 s LEU 10 Ca 0.00 0.18 -0.08 0.00 0.02 0.00 0.00 54.13 54.25 1m94 s LEU 10 Cb 0.00 0.16 0.01 0.00 0.02 0.00 0.00 46.19 46.38 1m94 s LEU 10 CO 0.00 -0.14 1.08 0.61 0.02 0.00 0.00 176.35 177.92 1m94 n GLY 11 N 4.19 -0.50 2.82 -3.19 0.00 -1.26 -4.99 105.19 102.26 1m94 n GLY 11 Ca -0.27 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.20 0.17 -0.14 1.61 -0.14 -1.26 -5.06 119.74 108.73 1m94 s LYS 12 Ca 0.54 0.38 -0.04 0.00 -1.36 0.00 0.00 55.97 55.48 1m94 s LYS 12 Cb -0.24 -0.82 0.07 0.00 -1.68 0.00 0.00 37.83 35.16 1m94 s LYS 12 CO 0.66 -0.54 0.23 0.21 -0.76 0.00 0.00 175.35 175.16 1m94 s LYS 13 N 2.35 0.13 0.06 1.68 2.20 -1.26 -2.67 119.74 122.23 1m94 s LYS 13 Ca 0.06 0.59 0.07 0.00 -0.36 0.00 0.00 55.97 56.33 1m94 s LYS 13 Cb -0.15 -0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 35.80 1m94 s LYS 13 CO -0.11 -0.37 -0.18 0.08 -0.36 0.00 0.00 175.35 174.41 1m94 s VAL 14 N 2.37 2.81 -0.06 4.02 1.01 -0.09 -4.95 120.40 125.52 1m94 s VAL 14 Ca 0.03 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 1m94 s VAL 14 Cb -0.13 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1m94 s VAL 14 CO -0.09 0.29 0.01 0.00 0.00 0.00 0.00 175.10 175.31 1m94 s ARG 15 N -1.59 2.94 -0.16 2.72 1.70 -1.26 -0.47 118.95 122.84 1m94 s ARG 15 Ca 0.15 -0.46 -0.11 0.00 -0.47 0.00 0.00 55.73 54.84 1m94 s ARG 15 Cb -0.11 -2.77 0.05 0.00 -0.57 0.00 0.00 34.95 31.55 1m94 s ARG 15 CO 0.06 0.68 0.39 0.54 -1.08 0.00 0.00 175.30 175.90 1m94 s VAL 16 N -0.96 -0.01 0.03 4.99 0.11 -0.39 -4.99 120.40 119.18 1m94 s VAL 16 Ca 0.16 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1m94 s VAL 16 Cb -0.11 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1m94 s VAL 16 CO 0.05 0.02 0.14 -1.59 -3.33 0.00 0.00 175.10 170.39 1m94 s LYS 17 N 0.81 3.21 0.00 1.54 -2.85 -1.26 -1.48 119.74 119.71 1m94 s LYS 17 Ca -0.05 -0.47 -0.28 0.00 -1.00 0.00 0.00 55.97 54.17 1m94 s LYS 17 Cb -0.06 -2.94 0.09 0.00 -2.06 0.00 0.00 37.83 32.87 1m94 s LYS 17 CO -0.06 0.63 0.81 0.00 0.10 0.00 0.00 175.35 176.83 1m94 s LEU 19 N -2.15 4.18 0.55 0.00 1.43 -1.26 -1.09 118.68 120.34 1m94 s LEU 19 Ca 0.01 1.10 0.30 0.00 -1.03 0.00 0.00 54.13 54.51 1m94 s LEU 19 Cb -0.01 -3.74 1.61 0.00 0.03 0.00 0.00 46.19 44.08 1m94 s LEU 19 CO -0.06 -0.08 2.13 0.00 0.23 0.00 0.00 176.35 178.58 1m94 h ALA 20 N 2.69 1.30 0.00 4.21 0.00 -1.95 -1.34 119.26 124.17 1m94 h ALA 20 Ca -0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1m94 h ALA 20 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1m94 h ALA 20 CO 0.67 0.10 -0.21 1.05 0.00 0.00 0.00 179.25 180.86 1m94 h GLU 21 N 0.00 0.00 -7.10 0.00 -0.00 -1.95 0.01 114.58 105.55 1m94 h GLU 21 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 59.36 58.86 1m94 h GLU 21 Cb 0.24 0.00 0.08 0.00 -0.00 0.00 0.00 28.75 29.07 1m94 h GLU 21 CO 0.01 0.14 0.43 -0.51 -0.00 0.00 0.00 179.01 179.08 1m94 s ASP 22 N -6.24 5.64 0.70 3.06 1.01 -0.51 -4.66 116.67 115.68 1m94 s ASP 22 Ca 0.06 2.17 -0.04 0.00 0.71 0.00 0.00 52.55 55.45 1m94 s ASP 22 Cb 0.06 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.50 1m94 s ASP 22 CO 0.70 -1.27 0.98 -0.94 0.21 0.00 0.00 175.17 174.85 1m94 s SER 23 N -1.85 4.60 0.52 0.27 1.04 -1.26 -1.09 113.70 115.93 1m94 s SER 23 Ca 0.72 0.06 0.22 0.00 0.48 0.00 0.00 55.95 57.43 1m94 s SER 23 Cb -0.24 -0.62 1.40 0.00 0.10 0.00 0.00 66.02 66.67 1m94 s SER 23 CO 0.29 -1.69 2.12 0.58 0.98 0.00 0.00 173.24 175.52 1m94 h VAL 24 N -0.52 0.79 -0.33 5.02 2.07 -1.63 -1.55 116.25 120.10 1m94 h VAL 24 Ca -0.41 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1m94 h VAL 24 Cb 1.29 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1m94 h VAL 24 CO 0.50 0.08 0.18 1.23 0.02 0.00 0.00 177.57 179.58 1m94 h GLY 25 N 0.36 0.45 1.60 2.17 0.00 -1.81 0.19 103.07 106.03 1m94 h GLY 25 Ca -0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1m94 h GLY 25 CO 0.01 0.11 -0.45 -1.80 0.00 0.00 0.00 176.54 174.42 1m94 h ASP 26 N 0.38 0.47 -0.43 0.19 3.58 -1.72 -1.23 116.42 117.65 1m94 h ASP 26 Ca 0.13 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1m94 h ASP 26 Cb 0.02 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1m94 h ASP 26 CO -0.07 0.85 0.27 0.15 -2.88 0.00 0.00 179.24 177.56 1m94 h PHE 27 N 0.35 0.56 0.00 0.28 3.57 -0.38 -1.45 116.94 119.87 1m94 h PHE 27 Ca 0.02 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1m94 h PHE 27 Cb 0.93 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1m94 h PHE 27 CO 0.03 0.39 -0.52 0.87 -2.23 0.00 0.00 178.31 176.85 1m94 h LYS 28 N 0.58 0.00 -0.59 1.11 1.57 -0.53 -2.37 116.57 116.33 1m94 h LYS 28 Ca 0.16 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1m94 h LYS 28 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1m94 h LYS 28 CO -0.03 0.52 0.13 0.87 -0.57 0.00 0.00 179.45 180.37 1m94 h LYS 29 N 0.00 0.95 -0.11 3.15 1.57 -0.44 0.67 116.57 122.36 1m94 h LYS 29 Ca -0.01 -0.24 -0.21 0.00 -1.87 0.00 0.00 60.65 58.33 1m94 h LYS 29 Cb 0.98 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1m94 h LYS 29 CO 0.07 0.89 -0.77 0.28 -0.57 0.00 0.00 179.45 179.35 1m94 h VAL 30 N 0.86 1.32 -0.26 0.50 2.07 -1.20 -3.24 116.25 116.31 1m94 h VAL 30 Ca 0.18 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.59 1m94 h VAL 30 Cb 0.38 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1m94 h VAL 30 CO 0.01 0.64 -0.03 -0.07 0.02 0.00 0.00 177.57 178.13 1m94 h LEU 31 N 0.42 0.48 -2.21 2.57 3.38 -1.24 -2.82 115.31 115.88 1m94 h LEU 31 Ca -0.05 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.63 1m94 h LEU 31 Cb 1.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1m94 h LEU 31 CO 0.15 0.71 0.26 0.77 0.09 0.00 0.00 178.44 180.41 1m94 h SER 32 N 0.24 0.00 0.38 -0.43 4.64 -0.91 -0.01 113.55 117.46 1m94 h SER 32 Ca 0.07 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 1m94 h SER 32 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1m94 h SER 32 CO 0.02 0.00 -0.82 -0.07 -0.87 0.00 0.00 176.83 175.09 1m94 h LEU 33 N 0.00 0.42 0.00 5.97 -0.00 -1.52 0.20 115.31 120.37 1m94 h LEU 33 Ca 0.07 -0.31 -0.05 0.00 -0.00 0.00 0.00 57.88 57.60 1m94 h LEU 33 Cb 0.59 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1m94 h LEU 33 CO -0.00 1.07 -0.29 1.56 -0.00 0.00 0.00 178.44 180.78 1m94 h GLN 34 N 0.21 0.00 0.00 1.13 7.50 -1.08 -3.37 115.11 119.50 1m94 h GLN 34 Ca -0.05 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.01 1m94 h GLN 34 Cb 1.43 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.94 1m94 h GLN 34 CO 0.14 0.91 -0.55 -0.84 -1.50 0.00 0.00 178.83 176.99 1m94 h ILE 35 N -1.00 0.69 -3.54 2.54 3.07 -1.44 -3.48 117.51 114.35 1m94 h ILE 35 Ca -0.08 -2.00 -0.21 0.00 1.55 0.00 0.00 64.86 64.12 1m94 h ILE 35 Cb 0.99 2.30 0.07 0.00 -0.27 0.00 0.00 36.82 39.92 1m94 h ILE 35 CO -0.05 0.39 -0.36 0.61 -1.05 0.00 0.00 178.15 177.70 1m94 n GLY 36 N 1.23 0.17 0.19 0.16 0.00 0.69 -4.93 105.19 102.69 1m94 n GLY 36 Ca 0.01 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.75 0.00 -0.97 2.61 -1.04 -1.22 -5.05 114.28 104.86 1m94 n THR 37 Ca -0.00 -0.38 0.07 0.00 -2.04 0.00 0.00 64.05 61.69 1m94 n THR 37 Cb 0.53 1.10 -0.04 0.00 -1.82 0.00 0.00 70.33 70.10 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 -0.41 -2.39 0.00 -2.82 3.00 -1.26 -3.60 117.38 109.90 1m94 n GLN 38 Ca 0.04 1.91 0.10 0.00 -0.01 0.00 0.00 57.00 59.04 1m94 n GLN 38 Cb 0.19 -2.58 0.49 0.00 0.00 0.00 0.00 30.24 28.35 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 -3.01 0.16 0.00 -1.09 -0.04 -1.26 -2.73 135.00 127.03 1m94 n PRO 39 Ca -0.04 0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.46 1m94 n PRO 39 Cb 0.40 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.46 3.54 4.21 -1.96 -3.35 115.58 117.56 1m94 h ASN 40 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1m94 h ASN 40 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1m94 h ASN 40 CO 0.00 0.95 0.00 0.29 -1.29 0.00 0.00 177.43 177.38 1m94 n LYS 41 N -3.09 2.66 -3.71 0.81 5.02 -1.16 -4.86 118.16 113.82 1m94 n LYS 41 Ca -0.13 -2.23 -0.36 0.00 -2.02 0.00 0.00 58.31 53.58 1m94 n LYS 41 Cb 1.00 -1.39 -0.09 0.00 -0.02 0.00 0.00 35.03 34.54 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m94 s ILE 42 N -1.04 5.33 -0.30 -0.18 1.01 -1.11 -0.59 121.20 124.32 1m94 s ILE 42 Ca 0.33 0.17 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1m94 s ILE 42 Cb 0.17 -3.46 0.08 0.00 0.01 0.00 0.00 42.46 39.27 1m94 s ILE 42 CO 0.23 0.39 -0.01 -0.69 0.00 0.00 0.00 174.94 174.86 1m94 s VAL 43 N 0.73 2.14 -0.08 2.92 1.01 0.55 -4.88 120.40 122.78 1m94 s VAL 43 Ca 0.07 -1.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.01 1m94 s VAL 43 Cb -0.12 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1m94 s VAL 43 CO 0.01 -0.37 0.15 -0.76 0.00 0.00 0.00 175.10 174.13 1m94 s LEU 44 N 1.03 4.34 0.07 3.92 1.43 -1.26 -0.68 118.68 127.53 1m94 s LEU 44 Ca 0.03 0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1m94 s LEU 44 Cb -0.19 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1m94 s LEU 44 CO -0.08 0.36 0.14 0.00 0.23 0.00 0.00 176.35 177.01 1m94 s GLN 45 N -1.31 0.75 -0.30 1.70 -2.07 -0.80 -0.58 119.66 117.06 1m94 s GLN 45 Ca 0.19 -0.93 0.10 0.00 -1.82 0.00 0.00 55.36 52.90 1m94 s GLN 45 Cb -0.12 0.30 0.72 0.00 -1.09 0.00 0.00 33.01 32.82 1m94 s GLN 45 CO 0.09 -0.22 1.74 1.63 -1.32 0.00 0.00 175.29 177.21 1m94 n LYS 46 N 0.17 3.76 -0.47 9.60 5.02 -0.36 -0.84 118.16 135.04 1m94 n LYS 46 Ca -0.16 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 1m94 n LYS 46 Cb 0.61 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1m94 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m94 n GLY 47 N -0.01 0.84 0.00 0.72 0.00 -1.26 -4.70 105.19 100.78 1m94 n GLY 47 Ca 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.45 0.57 3.29 -0.02 0.00 -1.26 -5.08 105.19 102.24 1m94 n GLY 48 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.02 4.01 0.03 1.61 0.01 -1.26 -5.09 113.70 111.99 1m94 s SER 49 Ca 0.00 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 1m94 s SER 49 Cb 0.00 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 1m94 s SER 49 CO 0.00 0.03 0.99 -0.69 0.41 0.00 0.00 173.24 173.97 1m94 s VAL 50 N 1.18 4.75 -0.16 3.43 1.01 -1.26 -1.22 120.40 128.12 1m94 s VAL 50 Ca 0.02 2.03 -0.28 0.00 0.00 0.00 0.00 61.98 63.76 1m94 s VAL 50 Cb -0.14 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1m94 s VAL 50 CO -0.03 0.19 0.94 -0.76 0.00 0.00 0.00 175.10 175.44 1m94 s LEU 51 N 0.80 4.18 0.12 3.92 1.43 0.25 -4.96 118.68 124.41 1m94 s LEU 51 Ca 0.51 1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 54.88 1m94 s LEU 51 Cb -0.22 -3.41 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 1m94 s LEU 51 CO 0.28 -0.48 0.38 -0.54 0.23 0.00 0.00 176.35 176.23 1m94 s LYS 52 N 2.36 3.66 0.52 1.70 -0.14 -1.26 -4.68 119.74 121.90 1m94 s LYS 52 Ca 0.43 -0.01 0.31 0.00 -1.36 0.00 0.00 55.97 55.33 1m94 s LYS 52 Cb -0.17 -2.89 1.31 0.00 -1.68 0.00 0.00 37.83 34.40 1m94 s LYS 52 CO 0.13 0.49 1.97 -0.44 -0.76 0.00 0.00 175.35 176.74 1m94 h ASP 53 N 3.10 0.00 0.74 2.83 3.32 -1.96 -2.59 116.42 121.86 1m94 h ASP 53 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1m94 h ASP 53 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1m94 h ASP 53 CO 0.71 0.08 0.00 1.41 -1.72 0.00 0.00 179.24 179.72 1m94 n HIS 54 N -3.24 0.00 -4.53 4.55 8.25 -1.26 -3.82 115.22 115.17 1m94 n HIS 54 Ca -0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 1m94 n HIS 54 Cb 0.32 -0.45 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 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 -2.90 3.58 0.52 1.59 1.09 -0.97 -5.03 121.20 119.08 1m94 s ILE 55 Ca 0.14 -0.73 -0.18 0.00 -1.10 0.00 0.00 60.65 58.78 1m94 s ILE 55 Cb 0.16 -2.53 -0.07 0.00 -1.06 0.00 0.00 42.46 38.97 1m94 s ILE 55 CO 0.42 0.45 1.04 -0.55 -0.10 0.00 0.00 174.94 176.20 1m94 s SER 56 N -1.24 6.17 0.44 3.58 0.15 -1.26 -2.45 113.70 119.08 1m94 s SER 56 Ca 0.16 1.87 0.11 0.00 0.70 0.00 0.00 55.95 58.78 1m94 s SER 56 Cb -0.11 -2.55 0.97 0.00 -1.71 0.00 0.00 66.02 62.62 1m94 s SER 56 CO 0.06 -0.90 2.04 -0.07 1.20 0.00 0.00 173.24 175.56 1m94 h LEU 57 N 1.13 0.23 -1.30 3.45 3.38 -1.21 -1.78 115.31 119.20 1m94 h LEU 57 Ca -0.48 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1m94 h LEU 57 Cb 1.22 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1m94 h LEU 57 CO 0.59 0.24 0.48 -0.08 0.09 0.00 0.00 178.44 179.76 1m94 h GLU 58 N 0.26 0.92 -0.53 1.13 4.22 -1.21 -1.28 114.58 118.09 1m94 h GLU 58 Ca 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1m94 h GLU 58 Cb 0.11 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1m94 h GLU 58 CO -0.00 0.61 0.26 -0.44 -2.18 0.00 0.00 179.01 177.26 1m94 h ASP 59 N 0.95 0.68 0.98 1.04 3.32 -1.62 -1.54 116.42 120.22 1m94 h ASP 59 Ca 0.27 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1m94 h ASP 59 Cb -0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1m94 h ASP 59 CO -0.06 0.61 0.00 1.88 -1.72 0.00 0.00 179.24 179.95 1m94 h TYR 60 N 0.70 0.00 -3.60 4.55 0.05 -1.37 -3.47 116.97 113.83 1m94 h TYR 60 Ca 0.18 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.85 1m94 h TYR 60 Cb 0.10 0.00 0.07 0.00 1.01 0.00 0.00 36.73 37.91 1m94 h TYR 60 CO -0.01 0.00 -0.30 -1.91 -1.05 0.00 0.00 178.16 174.89 1m94 n GLU 61 N -2.55 -1.80 -2.78 4.88 4.07 -0.55 -4.99 120.64 116.93 1m94 n GLU 61 Ca 0.02 0.32 -0.42 0.00 -0.06 0.00 0.00 57.16 57.02 1m94 n GLU 61 Cb 0.29 -3.50 -0.03 0.00 -0.06 0.00 0.00 31.44 28.14 1m94 n GLU 61 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1m94 s VAL 62 N -3.14 4.67 0.47 6.31 1.01 -1.15 -5.04 120.40 123.54 1m94 s VAL 62 Ca 0.07 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.66 1m94 s VAL 62 Cb -0.01 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1m94 s VAL 62 CO 0.28 -0.31 0.67 -1.00 0.00 0.00 0.00 175.10 174.73 1m94 s HIS 63 N 3.25 2.95 0.36 5.22 3.76 -1.26 -4.90 115.29 124.67 1m94 s HIS 63 Ca 0.40 -0.09 -0.27 0.00 -0.15 0.00 0.00 55.06 54.95 1m94 s HIS 63 Cb -0.14 -2.48 -0.09 0.00 1.11 0.00 0.00 32.58 30.98 1m94 s HIS 63 CO 0.12 -0.55 1.16 0.16 -0.85 0.00 0.00 174.74 174.78 1m94 s ASP 64 N -4.33 6.79 -1.55 1.40 -4.77 -1.26 -3.06 116.67 109.88 1m94 s ASP 64 Ca 0.53 2.35 -0.04 0.00 -3.30 0.00 0.00 52.55 52.10 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 0.36 -0.49 0.48 0.00 0.70 0.00 0.00 175.17 176.22 1m94 n GLN 65 N 0.48 -4.14 -3.12 2.11 3.00 0.84 -4.94 117.38 111.61 1m94 n GLN 65 Ca 0.02 0.90 -0.28 0.00 -0.01 0.00 0.00 57.00 57.63 1m94 n GLN 65 Cb 0.46 -5.66 -0.03 0.00 0.00 0.00 0.00 30.24 25.01 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 -3.13 4.96 -0.26 5.09 -1.32 -1.17 -4.87 115.64 114.93 1m94 s THR 66 Ca 0.24 0.16 -0.13 0.00 -1.21 0.00 0.00 61.69 60.75 1m94 s THR 66 Cb -0.10 -3.77 -0.05 0.00 -1.51 0.00 0.00 72.50 67.08 1m94 s THR 66 CO 0.29 -0.47 0.26 0.21 -2.21 0.00 0.00 174.62 172.70 1m94 s ASN 67 N -3.39 6.16 0.35 8.08 3.84 -1.26 -2.15 114.94 126.58 1m94 s ASN 67 Ca 0.46 0.17 0.09 0.00 0.21 0.00 0.00 52.86 53.79 1m94 s ASN 67 Cb -0.10 -2.15 -0.06 0.00 -0.55 0.00 0.00 41.25 38.38 1m94 s ASN 67 CO 0.33 -0.06 -0.02 -0.76 -2.79 0.00 0.00 177.10 173.80 1m94 s LEU 68 N 1.59 2.89 0.00 3.21 1.43 0.36 -4.96 118.68 123.20 1m94 s LEU 68 Ca 0.11 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 1m94 s LEU 68 Cb -0.15 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1m94 s LEU 68 CO 0.08 -0.26 0.07 -1.61 0.23 0.00 0.00 176.35 174.87 1m94 s GLU 69 N -3.68 3.01 -0.00 1.70 0.41 -0.02 -0.87 118.70 119.24 1m94 s GLU 69 Ca 0.34 -0.52 0.04 0.00 -0.41 0.00 0.00 54.97 54.42 1m94 s GLU 69 Cb 0.02 -2.82 -0.01 0.00 -1.78 0.00 0.00 34.13 29.54 1m94 s GLU 69 CO 0.18 0.64 -0.13 -1.17 -0.49 0.00 0.00 175.26 174.29 1m94 s LEU 70 N -1.78 2.05 0.00 1.80 2.96 0.19 -1.90 118.68 122.00 1m94 s LEU 70 Ca 0.23 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1m94 s LEU 70 Cb -0.12 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.90 1m94 s LEU 70 CO 0.14 0.14 0.05 -0.31 -1.32 0.00 0.00 176.35 175.06 1m94 s TYR 71 N -0.39 0.10 -0.37 5.38 2.02 0.14 -4.07 117.35 120.16 1m94 s TYR 71 Ca 0.04 -0.21 -0.13 0.00 -0.37 0.00 0.00 57.07 56.40 1m94 s TYR 71 Cb -0.05 -0.09 0.01 0.00 -0.40 0.00 0.00 41.96 41.42 1m94 s TYR 71 CO -0.00 -0.19 0.25 0.71 -1.57 0.00 0.00 175.55 174.75 1m94 s TYR 72 N -1.08 3.23 0.00 2.71 2.02 -1.26 -0.33 117.35 122.64 1m94 s TYR 72 Ca -0.12 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 1m94 s TYR 72 Cb -0.07 -2.50 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1m94 s TYR 72 CO 0.00 -0.52 0.00 -0.11 -1.57 0.00 0.00 175.55 173.36