#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 2.65 -0.34 1.12 -4.36 -0.35 -4.92 121.20 115.00 1m94 s ILE 2 Ca 0.00 -2.17 -0.02 0.00 -0.26 0.00 0.00 60.65 58.20 1m94 s ILE 2 Cb 0.00 -2.60 0.07 0.00 1.25 0.00 0.00 42.46 41.18 1m94 s ILE 2 CO 0.00 -0.30 0.08 -0.70 0.24 0.00 0.00 174.94 174.25 1m94 s GLU 3 N -3.61 2.27 0.35 0.37 -6.30 -1.26 -1.46 118.70 109.05 1m94 s GLU 3 Ca 0.32 -1.46 0.08 0.00 -2.50 0.00 0.00 54.97 51.40 1m94 s GLU 3 Cb -0.03 -3.34 -0.04 0.00 0.00 0.00 0.00 34.13 30.73 1m94 s GLU 3 CO 0.17 -0.78 0.21 0.14 0.02 0.00 0.00 175.26 175.02 1m94 s VAL 4 N 1.21 3.12 0.06 3.70 -7.23 -0.59 -0.45 120.40 120.23 1m94 s VAL 4 Ca 0.00 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1m94 s VAL 4 Cb -0.21 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.66 1m94 s VAL 4 CO -0.02 -0.16 -0.19 0.68 -0.31 0.00 0.00 175.10 175.10 1m94 s VAL 5 N -2.40 1.55 -0.03 1.32 -7.23 -0.90 -1.25 120.40 111.46 1m94 s VAL 5 Ca 0.40 -1.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.34 1m94 s VAL 5 Cb -0.03 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 1m94 s VAL 5 CO 0.24 0.06 -0.21 0.68 -0.31 0.00 0.00 175.10 175.56 1m94 s VAL 6 N -0.95 1.67 -0.02 1.32 -7.23 0.60 -0.56 120.40 115.23 1m94 s VAL 6 Ca 0.06 -0.89 0.05 0.00 -1.81 0.00 0.00 61.98 59.39 1m94 s VAL 6 Cb -0.09 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 1m94 s VAL 6 CO 0.03 0.47 -0.18 0.54 -0.31 0.00 0.00 175.10 175.65 1m94 s ASN 7 N -0.37 2.18 0.00 4.85 2.20 -0.57 -0.96 114.94 122.28 1m94 s ASN 7 Ca 0.05 -0.34 0.00 0.00 -0.94 0.00 0.00 52.86 51.62 1m94 s ASN 7 Cb -0.09 -0.37 0.00 0.00 -2.00 0.00 0.00 41.25 38.78 1m94 s ASN 7 CO 0.00 0.20 0.04 0.47 -2.94 0.00 0.00 177.10 174.88 1m94 n ASP 8 N 2.81 0.00 0.02 3.54 9.92 -0.25 -0.76 116.55 131.84 1m94 n ASP 8 Ca -0.16 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1m94 n ASP 8 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1m94 n ASP 8 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1m94 n ARG 9 N -0.46 0.00 0.28 -1.24 0.63 -1.26 -4.58 116.66 110.03 1m94 n ARG 9 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 1m94 n ARG 9 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1m94 n ARG 9 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1m94 h LEU 10 N 0.00 -0.63 -5.00 6.15 3.38 -1.99 -3.45 115.31 113.77 1m94 h LEU 10 Ca 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1m94 h LEU 10 Cb 0.00 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 1m94 h LEU 10 CO 0.00 -0.33 0.04 0.61 0.09 0.00 0.00 178.44 178.85 1m94 n GLY 11 N -0.50 -0.74 2.95 0.83 0.00 -1.26 -5.12 105.19 101.35 1m94 n GLY 11 Ca -0.09 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 0.07 1.58 -0.20 1.61 2.20 -1.26 -5.03 119.74 118.71 1m94 s LYS 12 Ca 0.14 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 54.58 1m94 s LYS 12 Cb 0.21 -2.66 0.03 0.00 -1.51 0.00 0.00 37.83 33.90 1m94 s LYS 12 CO -0.10 -0.69 -0.17 0.21 -0.36 0.00 0.00 175.35 174.24 1m94 s LYS 13 N 1.31 2.81 0.14 4.03 2.20 -1.26 -1.09 119.74 127.87 1m94 s LYS 13 Ca -0.02 -0.96 0.09 0.00 -0.36 0.00 0.00 55.97 54.72 1m94 s LYS 13 Cb -0.19 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1m94 s LYS 13 CO -0.08 -0.30 -0.20 0.14 -0.36 0.00 0.00 175.35 174.55 1m94 s VAL 14 N 1.25 1.80 0.11 4.02 -7.23 -0.13 -4.98 120.40 115.23 1m94 s VAL 14 Ca 0.01 -1.76 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1m94 s VAL 14 Cb -0.15 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1m94 s VAL 14 CO -0.11 -0.19 -0.06 0.00 -0.31 0.00 0.00 175.10 174.43 1m94 s ARG 15 N -2.39 2.26 -0.19 4.82 1.70 -1.26 -0.29 118.95 123.59 1m94 s ARG 15 Ca 0.12 -1.00 -0.16 0.00 -0.47 0.00 0.00 55.73 54.21 1m94 s ARG 15 Cb -0.08 -2.36 0.05 0.00 -0.57 0.00 0.00 34.95 31.99 1m94 s ARG 15 CO 0.06 0.50 0.50 0.54 -1.08 0.00 0.00 175.30 175.82 1m94 s VAL 16 N -1.33 -0.00 -0.12 4.99 0.11 -0.38 -4.96 120.40 118.71 1m94 s VAL 16 Ca 0.23 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1m94 s VAL 16 Cb -0.11 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1m94 s VAL 16 CO 0.16 0.00 -0.01 -1.59 -3.33 0.00 0.00 175.10 170.33 1m94 s LYS 17 N 0.44 3.34 0.14 1.54 -2.85 -1.26 -1.54 119.74 119.54 1m94 s LYS 17 Ca -0.01 -0.44 -0.22 0.00 -1.00 0.00 0.00 55.97 54.29 1m94 s LYS 17 Cb -0.04 -2.88 0.06 0.00 -2.06 0.00 0.00 37.83 32.91 1m94 s LYS 17 CO -0.02 0.49 0.57 0.00 0.10 0.00 0.00 175.35 176.49 1m94 s LEU 19 N -2.63 4.23 0.59 0.00 0.20 -1.26 -1.21 118.68 118.61 1m94 s LEU 19 Ca 0.00 1.54 0.37 0.00 0.69 0.00 0.00 54.13 56.73 1m94 s LEU 19 Cb -0.00 -3.94 1.83 0.00 -0.43 0.00 0.00 46.19 43.64 1m94 s LEU 19 CO -0.11 -0.10 2.17 0.00 -0.29 0.00 0.00 176.35 178.02 1m94 h ALA 20 N 2.90 1.07 0.00 5.97 0.00 -1.96 -1.50 119.26 125.74 1m94 h ALA 20 Ca -0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1m94 h ALA 20 Cb 1.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1m94 h ALA 20 CO 0.65 0.04 -0.20 1.05 0.00 0.00 0.00 179.25 180.79 1m94 h GLU 21 N 0.00 0.00 -7.30 0.00 -0.00 -1.94 0.66 114.58 106.00 1m94 h GLU 21 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.84 1m94 h GLU 21 Cb 0.26 0.00 0.15 0.00 -0.00 0.00 0.00 28.75 29.16 1m94 h GLU 21 CO 0.00 0.15 0.29 -0.51 -0.00 0.00 0.00 179.01 178.94 1m94 s ASP 22 N -6.25 3.97 0.59 3.06 1.01 -0.57 -4.61 116.67 113.88 1m94 s ASP 22 Ca 0.06 1.93 0.01 0.00 0.71 0.00 0.00 52.55 55.26 1m94 s ASP 22 Cb 0.06 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.51 1m94 s ASP 22 CO 0.70 -2.39 0.83 -0.44 0.21 0.00 0.00 175.17 174.07 1m94 s SER 23 N -3.17 5.08 0.46 0.27 0.01 -1.26 -0.68 113.70 114.41 1m94 s SER 23 Ca 0.63 -0.06 0.11 0.00 1.31 0.00 0.00 55.95 57.94 1m94 s SER 23 Cb -0.19 -0.71 1.04 0.00 0.21 0.00 0.00 66.02 66.37 1m94 s SER 23 CO 0.57 -1.30 2.09 0.58 0.41 0.00 0.00 173.24 175.58 1m94 h VAL 24 N -0.07 1.06 -0.67 3.43 2.07 -1.62 -1.61 116.25 118.84 1m94 h VAL 24 Ca -0.41 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1m94 h VAL 24 Cb 1.29 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1m94 h VAL 24 CO 0.50 0.07 0.41 1.23 0.02 0.00 0.00 177.57 179.80 1m94 h GLY 25 N 0.32 0.97 1.37 2.17 0.00 -1.81 -0.70 103.07 105.38 1m94 h GLY 25 Ca 0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1m94 h GLY 25 CO -0.01 0.24 -0.04 -0.55 0.00 0.00 0.00 176.54 176.17 1m94 h ASP 26 N 0.78 0.73 -0.15 0.19 3.32 -1.66 -1.48 116.42 118.16 1m94 h ASP 26 Ca 0.28 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1m94 h ASP 26 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1m94 h ASP 26 CO -0.13 0.83 0.05 0.15 -1.72 0.00 0.00 179.24 178.43 1m94 h PHE 27 N 0.70 0.10 0.00 4.55 3.04 -0.78 -1.43 116.94 123.12 1m94 h PHE 27 Ca 0.13 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 1m94 h PHE 27 Cb 0.49 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 1m94 h PHE 27 CO 0.02 0.05 -0.29 0.87 -2.02 0.00 0.00 178.31 176.95 1m94 h LYS 28 N 0.13 0.00 -0.15 1.11 1.57 -0.94 -1.35 116.57 116.93 1m94 h LYS 28 Ca 0.06 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1m94 h LYS 28 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1m94 h LYS 28 CO -0.06 0.29 -0.10 0.87 -0.57 0.00 0.00 179.45 179.88 1m94 h LYS 29 N 0.00 0.33 -0.10 3.15 1.79 -0.43 0.12 116.57 121.43 1m94 h LYS 29 Ca -0.00 -0.15 -0.18 0.00 -2.18 0.00 0.00 60.65 58.13 1m94 h LYS 29 Cb 0.58 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1m94 h LYS 29 CO 0.04 0.67 -0.70 0.28 -1.08 0.00 0.00 179.45 178.67 1m94 h VAL 30 N -0.02 1.37 -0.16 0.50 2.07 -1.18 -3.19 116.25 115.63 1m94 h VAL 30 Ca 0.03 -2.07 -0.10 0.00 0.82 0.00 0.00 66.70 65.38 1m94 h VAL 30 Cb 0.59 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1m94 h VAL 30 CO 0.03 0.63 -0.28 0.25 0.02 0.00 0.00 177.57 178.21 1m94 h LEU 31 N 0.30 0.52 -2.04 2.57 5.85 -1.24 -3.11 115.31 118.16 1m94 h LEU 31 Ca -0.02 -0.54 0.12 0.00 0.84 0.00 0.00 57.88 58.28 1m94 h LEU 31 Cb 1.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1m94 h LEU 31 CO 0.12 0.96 0.35 0.77 -0.34 0.00 0.00 178.44 180.31 1m94 h SER 32 N 0.10 0.00 0.10 1.25 4.64 -0.79 -0.19 113.55 118.66 1m94 h SER 32 Ca 0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 1m94 h SER 32 Cb 0.86 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1m94 h SER 32 CO 0.06 0.00 -0.46 -0.07 -0.87 0.00 0.00 176.83 175.49 1m94 h LEU 33 N 0.00 0.46 0.00 5.97 -0.00 -1.53 0.32 115.31 120.54 1m94 h LEU 33 Ca 0.20 -0.22 -0.05 0.00 -0.00 0.00 0.00 57.88 57.81 1m94 h LEU 33 Cb 0.90 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 1m94 h LEU 33 CO -0.00 0.86 -0.30 1.56 -0.00 0.00 0.00 178.44 180.56 1m94 h GLN 34 N 0.35 0.00 0.00 1.13 4.20 -1.15 -3.36 115.11 116.28 1m94 h GLN 34 Ca 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1m94 h GLN 34 Cb 0.95 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1m94 h GLN 34 CO 0.08 0.82 -0.19 -0.84 -0.67 0.00 0.00 178.83 178.03 1m94 h ILE 35 N -1.00 0.36 -3.70 2.54 3.07 -1.42 -3.47 117.51 113.88 1m94 h ILE 35 Ca -0.08 -1.33 -0.22 0.00 1.55 0.00 0.00 64.86 64.78 1m94 h ILE 35 Cb 0.91 2.03 0.08 0.00 -0.27 0.00 0.00 36.82 39.57 1m94 h ILE 35 CO -0.05 0.19 -0.38 0.61 -1.05 0.00 0.00 178.15 177.47 1m94 n GLY 36 N 0.85 0.12 0.34 0.16 0.00 0.11 -4.93 105.19 101.84 1m94 n GLY 36 Ca 0.02 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.85 0.00 -1.09 2.61 -1.04 -1.19 -5.05 114.28 104.67 1m94 n THR 37 Ca -0.00 -0.49 0.04 0.00 -2.04 0.00 0.00 64.05 61.56 1m94 n THR 37 Cb 0.54 1.18 -0.02 0.00 -1.82 0.00 0.00 70.33 70.20 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 0.42 -2.77 0.20 -2.82 6.02 -1.26 -3.62 117.38 113.57 1m94 n GLN 38 Ca 0.05 2.18 0.14 0.00 -0.01 0.00 0.00 57.00 59.37 1m94 n GLN 38 Cb 0.22 -2.84 0.51 0.00 1.02 0.00 0.00 30.24 29.15 1m94 n GLN 38 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1m94 h PRO 39 N -0.25 0.00 0.00 -1.09 0.13 -1.92 -2.93 132.00 125.93 1m94 h PRO 39 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1m94 h PRO 39 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1m94 h PRO 39 CO 0.02 0.00 -0.53 -0.91 -0.23 0.00 0.00 178.00 176.34 1m94 h ASN 40 N 0.00 0.00 -0.29 1.44 4.21 -1.93 -3.32 115.58 115.69 1m94 h ASN 40 Ca 0.00 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1m94 h ASN 40 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1m94 h ASN 40 CO 0.00 0.04 0.00 1.17 -1.29 0.00 0.00 177.43 177.35 1m94 n LYS 41 N -2.47 2.87 -4.59 0.81 0.00 -1.12 -4.87 118.16 108.79 1m94 n LYS 41 Ca 0.03 -2.24 -0.34 0.00 0.00 0.00 0.00 58.31 55.76 1m94 n LYS 41 Cb 0.49 -1.41 -0.12 0.00 0.00 0.00 0.00 35.03 33.98 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 -1.53 3.66 -0.13 3.15 1.01 -1.16 -2.33 121.20 123.87 1m94 s ILE 42 Ca 0.27 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1m94 s ILE 42 Cb 0.18 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 40.14 1m94 s ILE 42 CO 0.13 0.56 -0.13 -0.69 0.00 0.00 0.00 174.94 174.81 1m94 s VAL 43 N -0.37 1.41 -0.09 2.92 1.01 0.52 -4.88 120.40 120.93 1m94 s VAL 43 Ca 0.05 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1m94 s VAL 43 Cb -0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1m94 s VAL 43 CO 0.02 0.43 0.14 -0.76 0.00 0.00 0.00 175.10 174.93 1m94 s LEU 44 N 1.37 4.33 -0.06 3.92 1.43 -1.26 -0.44 118.68 127.97 1m94 s LEU 44 Ca 0.01 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1m94 s LEU 44 Cb -0.13 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1m94 s LEU 44 CO -0.07 0.37 -0.06 -1.10 0.23 0.00 0.00 176.35 175.72 1m94 s GLN 45 N -1.26 1.09 -0.96 1.70 -0.21 -0.44 -0.57 119.66 119.01 1m94 s GLN 45 Ca 0.18 -0.18 -0.14 0.00 0.02 0.00 0.00 55.36 55.25 1m94 s GLN 45 Cb -0.12 -1.05 0.21 0.00 1.00 0.00 0.00 33.01 33.05 1m94 s GLN 45 CO 0.08 -0.09 1.01 0.15 -2.12 0.00 0.00 175.29 174.32 1m94 s LYS 46 N 1.00 3.81 1.08 2.91 -0.14 -0.21 -0.92 119.74 127.27 1m94 s LYS 46 Ca -0.09 -2.51 0.00 0.00 -1.36 0.00 0.00 55.97 52.01 1m94 s LYS 46 Cb -0.14 -4.64 0.00 0.00 -1.68 0.00 0.00 37.83 31.36 1m94 s LYS 46 CO -0.00 -1.44 0.00 0.41 -0.76 0.00 0.00 175.35 173.56 1m94 n GLY 47 N 4.01 1.94 2.63 -3.33 0.00 -1.26 -3.37 105.19 105.81 1m94 n GLY 47 Ca 0.21 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 2.46 3.34 -0.02 0.00 -1.26 -5.02 105.19 104.69 1m94 n GLY 48 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.30 -0.46 -0.06 1.61 1.04 -1.22 -5.14 113.70 106.18 1m94 s SER 49 Ca 0.31 0.89 -0.25 0.00 0.48 0.00 0.00 55.95 57.38 1m94 s SER 49 Cb 0.43 0.90 -0.03 0.00 0.10 0.00 0.00 66.02 67.41 1m94 s SER 49 CO -0.01 -0.16 0.77 -0.69 0.98 0.00 0.00 173.24 174.13 1m94 s VAL 50 N 0.21 5.00 -0.08 5.02 1.01 -1.26 -1.04 120.40 129.26 1m94 s VAL 50 Ca -0.00 1.58 -0.18 0.00 0.00 0.00 0.00 61.98 63.38 1m94 s VAL 50 Cb -0.03 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1m94 s VAL 50 CO 0.01 0.22 0.50 -0.76 0.00 0.00 0.00 175.10 175.07 1m94 s LEU 51 N 0.91 4.33 0.04 3.92 1.43 0.27 -4.93 118.68 124.65 1m94 s LEU 51 Ca 0.41 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 1m94 s LEU 51 Cb -0.18 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 1m94 s LEU 51 CO 0.20 0.05 -0.05 -0.54 0.23 0.00 0.00 176.35 176.24 1m94 s LYS 52 N 0.27 2.49 0.56 1.70 -0.14 -1.26 -4.48 119.74 118.88 1m94 s LYS 52 Ca 0.27 -0.80 0.27 0.00 -1.36 0.00 0.00 55.97 54.35 1m94 s LYS 52 Cb -0.16 -2.49 1.62 0.00 -1.68 0.00 0.00 37.83 35.13 1m94 s LYS 52 CO 0.12 0.57 2.18 0.38 -0.76 0.00 0.00 175.35 177.84 1m94 h ASP 53 N 4.07 0.00 0.62 2.83 2.03 -1.96 -1.40 116.42 122.62 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 0.55 0.05 0.00 1.41 -1.03 0.00 0.00 179.24 180.22 1m94 n HIS 54 N -3.88 0.77 -4.32 4.15 8.25 -1.26 -4.02 115.22 114.92 1m94 n HIS 54 Ca -0.03 0.31 -0.33 0.00 -0.26 0.00 0.00 57.72 57.42 1m94 n HIS 54 Cb 0.14 -1.01 -0.09 0.00 1.12 0.00 0.00 29.99 30.15 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 -3.33 4.11 0.52 1.59 1.09 -0.53 -5.03 121.20 119.62 1m94 s ILE 55 Ca 0.03 -0.58 -0.17 0.00 -1.10 0.00 0.00 60.65 58.83 1m94 s ILE 55 Cb 0.09 -2.82 -0.07 0.00 -1.06 0.00 0.00 42.46 38.60 1m94 s ILE 55 CO 0.36 0.40 1.00 -0.55 -0.10 0.00 0.00 174.94 176.06 1m94 s SER 56 N -1.46 6.44 0.32 3.58 0.15 -1.26 -2.34 113.70 119.12 1m94 s SER 56 Ca 0.19 1.69 0.01 0.00 0.70 0.00 0.00 55.95 58.54 1m94 s SER 56 Cb -0.11 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.20 1m94 s SER 56 CO 0.09 -0.71 1.91 -0.07 1.20 0.00 0.00 173.24 175.65 1m94 h LEU 57 N 1.03 0.71 -1.68 3.45 3.38 -1.03 -1.78 115.31 119.39 1m94 h LEU 57 Ca -0.47 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.42 1m94 h LEU 57 Cb 1.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1m94 h LEU 57 CO 0.60 0.63 0.23 -0.08 0.09 0.00 0.00 178.44 179.91 1m94 h GLU 58 N 0.77 0.42 -0.39 1.13 4.57 -1.06 -0.86 114.58 119.16 1m94 h GLU 58 Ca 0.19 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1m94 h GLU 58 Cb 0.14 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1m94 h GLU 58 CO -0.02 0.28 0.11 -0.44 -1.18 0.00 0.00 179.01 177.77 1m94 h ASP 59 N 0.44 0.58 1.11 1.04 3.32 -1.62 -2.09 116.42 119.20 1m94 h ASP 59 Ca 0.13 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1m94 h ASP 59 Cb -0.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1m94 h ASP 59 CO -0.03 0.64 0.00 1.88 -1.72 0.00 0.00 179.24 180.01 1m94 h TYR 60 N 0.49 0.00 -3.52 4.55 0.05 -1.31 -3.48 116.97 113.75 1m94 h TYR 60 Ca 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1m94 h TYR 60 Cb 0.27 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.04 1m94 h TYR 60 CO 0.01 0.00 -0.10 -1.91 -1.05 0.00 0.00 178.16 175.11 1m94 n GLU 61 N -2.59 -0.40 -3.21 4.88 4.07 -0.40 -5.01 120.64 117.98 1m94 n GLU 61 Ca 0.03 0.42 -0.41 0.00 -0.06 0.00 0.00 57.16 57.14 1m94 n GLU 61 Cb 0.33 -2.43 -0.07 0.00 -0.06 0.00 0.00 31.44 29.20 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 -3.05 5.02 0.44 6.31 1.01 -1.13 -5.04 120.40 123.96 1m94 s VAL 62 Ca 0.06 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.75 1m94 s VAL 62 Cb -0.01 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1m94 s VAL 62 CO 0.16 -0.08 0.62 -1.00 0.00 0.00 0.00 175.10 174.79 1m94 s HIS 63 N 2.42 2.90 0.34 5.22 3.76 -1.26 -4.84 115.29 123.82 1m94 s HIS 63 Ca 0.21 -0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 54.62 1m94 s HIS 63 Cb -0.15 -2.41 -0.09 0.00 1.11 0.00 0.00 32.58 31.03 1m94 s HIS 63 CO 0.11 -0.47 1.18 0.16 -0.85 0.00 0.00 174.74 174.87 1m94 s ASP 64 N -4.33 6.86 -1.57 1.40 -4.77 -1.26 -2.94 116.67 110.06 1m94 s ASP 64 Ca 0.54 2.41 -0.02 0.00 -3.30 0.00 0.00 52.55 52.17 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 0.34 -0.45 0.29 1.67 0.70 0.00 0.00 175.17 177.73 1m94 n GLN 65 N 0.66 -3.11 -2.80 2.11 -0.06 0.40 -4.94 117.38 109.64 1m94 n GLN 65 Ca 0.01 0.90 -0.27 0.00 -2.00 0.00 0.00 57.00 55.64 1m94 n GLN 65 Cb 0.45 -5.57 -0.01 0.00 -4.06 0.00 0.00 30.24 21.05 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1m94 s THR 66 N -3.06 4.93 -0.28 1.69 -1.32 -1.15 -4.86 115.64 111.59 1m94 s THR 66 Ca 0.14 0.13 -0.11 0.00 -1.21 0.00 0.00 61.69 60.64 1m94 s THR 66 Cb -0.06 -3.85 -0.05 0.00 -1.51 0.00 0.00 72.50 67.03 1m94 s THR 66 CO 0.18 -0.76 0.19 0.20 -2.21 0.00 0.00 174.62 172.22 1m94 s ASN 67 N -3.97 6.01 0.31 8.08 -0.87 -1.26 -2.12 114.94 121.11 1m94 s ASN 67 Ca 0.46 -0.03 0.09 0.00 -1.57 0.00 0.00 52.86 51.82 1m94 s ASN 67 Cb -0.10 -2.12 -0.05 0.00 -0.02 0.00 0.00 41.25 38.96 1m94 s ASN 67 CO 0.42 -0.06 0.00 -0.76 -2.57 0.00 0.00 177.10 174.13 1m94 s LEU 68 N 1.76 3.04 -0.11 0.60 1.43 0.28 -4.75 118.68 120.93 1m94 s LEU 68 Ca 0.07 -0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1m94 s LEU 68 Cb -0.16 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1m94 s LEU 68 CO 0.11 -0.15 0.08 -0.70 0.23 0.00 0.00 176.35 175.92 1m94 s GLU 69 N -3.70 3.30 -0.10 1.70 -6.30 -0.10 -1.51 118.70 111.99 1m94 s GLU 69 Ca 0.34 -0.25 0.02 0.00 -2.50 0.00 0.00 54.97 52.58 1m94 s GLU 69 Cb -0.03 -3.04 -0.02 0.00 0.00 0.00 0.00 34.13 31.04 1m94 s GLU 69 CO 0.19 0.72 -0.15 -1.17 0.02 0.00 0.00 175.26 174.87 1m94 s LEU 70 N -0.89 2.61 0.06 2.70 2.96 0.06 -1.32 118.68 124.86 1m94 s LEU 70 Ca 0.14 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1m94 s LEU 70 Cb -0.12 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1m94 s LEU 70 CO 0.03 0.21 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.87 1m94 s TYR 71 N 0.06 0.87 -0.22 5.38 1.51 0.42 -4.05 117.35 121.31 1m94 s TYR 71 Ca -0.06 -0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 55.42 1m94 s TYR 71 Cb -0.15 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1m94 s TYR 71 CO 0.05 -0.04 -0.02 0.71 -1.11 0.00 0.00 175.55 175.13 1m94 s TYR 72 N -1.61 2.98 0.00 2.71 2.02 -1.26 -0.35 117.35 121.84 1m94 s TYR 72 Ca -0.05 -0.81 0.00 0.00 -0.37 0.00 0.00 57.07 55.85 1m94 s TYR 72 Cb -0.08 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1m94 s TYR 72 CO 0.01 -0.48 0.00 -0.11 -1.57 0.00 0.00 175.55 173.39