#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f62 s TYR 1 N 0.00 0.18 0.09 1.61 1.13 -1.26 -3.06 117.35 116.04 3f62 s TYR 1 Ca 0.00 -0.54 0.10 0.00 -1.41 0.00 0.00 57.07 55.21 3f62 s TYR 1 Cb 0.00 0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 41.06 3f62 s TYR 1 CO 0.00 -0.93 -0.26 -0.06 -2.51 0.00 0.00 175.55 171.80 3f62 s PHE 2 N -3.95 2.21 -0.04 -3.49 0.08 0.66 -1.32 117.98 112.12 3f62 s PHE 2 Ca 0.16 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.84 3f62 s PHE 2 Cb -0.00 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3f62 s PHE 2 CO 0.03 0.23 -0.06 0.20 -0.10 0.00 0.00 175.22 175.52 3f62 s GLY 3 N -1.70 0.47 0.18 4.36 0.00 -0.33 -1.12 107.32 109.18 3f62 s GLY 3 Ca 0.12 -0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.37 3f62 s GLY 3 CO 0.04 0.20 1.27 1.25 0.00 0.00 0.00 173.10 175.87 3f62 s LYS 4 N 0.58 4.42 0.00 2.90 2.20 0.23 -1.14 119.74 128.93 3f62 s LYS 4 Ca -0.08 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 3f62 s LYS 4 Cb -0.12 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 3f62 s LYS 4 CO 0.01 -0.22 0.00 1.28 -0.36 0.00 0.00 175.35 176.05 3f62 n LEU 5 N 2.81 0.00 -4.78 5.43 4.77 0.80 -4.90 117.00 121.13 3f62 n LEU 5 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 3f62 n LEU 5 Cb 0.44 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 3f62 n LEU 5 CO 0.57 0.00 0.70 -1.61 -1.33 0.00 0.00 177.39 175.72 3f62 s GLU 6 N 3.19 2.05 0.12 3.23 2.02 -1.26 -4.46 118.70 123.60 3f62 s GLU 6 Ca 0.00 0.81 0.11 0.00 0.02 0.00 0.00 54.97 55.91 3f62 s GLU 6 Cb 0.00 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 3f62 s GLU 6 CO 0.00 -1.68 -0.27 -1.12 0.02 0.00 0.00 175.26 172.21 3f62 s SER 7 N -3.70 3.31 -0.07 -0.19 0.01 -1.26 -1.19 113.70 110.61 3f62 s SER 7 Ca 0.61 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 57.18 3f62 s SER 7 Cb -0.16 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 3f62 s SER 7 CO 0.55 0.19 -0.20 -0.54 0.41 0.00 0.00 173.24 173.65 3f62 s LYS 8 N -1.96 2.32 0.01 12.44 1.02 0.22 -4.96 119.74 128.83 3f62 s LYS 8 Ca 0.14 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 3f62 s LYS 8 Cb -0.10 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 3f62 s LYS 8 CO 0.06 0.22 0.98 -0.51 -0.92 0.00 0.00 175.35 175.18 3f62 s LEU 9 N 0.19 4.38 -0.06 3.17 1.43 -1.26 -1.00 118.68 125.53 3f62 s LEU 9 Ca -0.10 1.68 -0.05 0.00 -1.03 0.00 0.00 54.13 54.62 3f62 s LEU 9 Cb -0.15 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.52 3f62 s LEU 9 CO 0.05 -0.25 0.16 -0.44 0.23 0.00 0.00 176.35 176.10 3f62 s SER 10 N 0.93 -0.16 -0.16 2.29 0.01 0.17 -1.73 113.70 115.04 3f62 s SER 10 Ca 0.52 0.32 -0.07 0.00 1.31 0.00 0.00 55.95 58.03 3f62 s SER 10 Cb -0.21 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 3f62 s SER 10 CO 0.28 -0.07 0.07 -0.69 0.41 0.00 0.00 173.24 173.24 3f62 s VAL 11 N 0.20 4.85 -0.16 3.43 1.01 -0.45 0.04 120.40 129.33 3f62 s VAL 11 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3f62 s VAL 11 Cb -0.02 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3f62 s VAL 11 CO -0.01 0.50 -0.12 -0.63 0.00 0.00 0.00 175.10 174.85 3f62 s ILE 12 N 0.04 3.04 0.04 2.22 1.01 -1.26 -0.30 121.20 125.99 3f62 s ILE 12 Ca 0.06 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.14 3f62 s ILE 12 Cb -0.12 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 3f62 s ILE 12 CO 0.01 0.50 -0.22 -0.13 0.00 0.00 0.00 174.94 175.09 3f62 s ARG 13 N 0.70 1.53 0.43 2.79 0.52 0.20 -0.67 118.95 124.46 3f62 s ARG 13 Ca -0.06 -0.98 -0.05 0.00 -0.52 0.00 0.00 55.73 54.13 3f62 s ARG 13 Cb -0.15 -1.66 0.09 0.00 0.52 0.00 0.00 34.95 33.76 3f62 s ARG 13 CO 0.02 0.43 0.58 0.27 0.02 0.00 0.00 175.30 176.62 3f62 n ASN 14 N 1.88 0.28 0.28 0.23 0.23 -0.64 -0.64 115.26 116.88 3f62 n ASN 14 Ca -0.17 -1.35 0.13 0.00 -0.53 0.00 0.00 54.58 52.66 3f62 n ASN 14 Cb 0.53 -0.42 0.80 0.00 -2.08 0.00 0.00 39.78 38.60 3f62 n ASN 14 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3f62 h LEU 15 N 0.00 0.00 -0.99 -4.53 -0.00 -1.83 -1.40 115.31 106.56 3f62 h LEU 15 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 3f62 h LEU 15 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 3f62 h LEU 15 CO 0.16 0.06 0.00 0.59 -0.00 0.00 0.00 178.44 179.24 3f62 n ASN 16 N -3.87 1.45 -0.83 0.17 3.02 -1.26 -4.90 115.26 109.04 3f62 n ASN 16 Ca -0.03 -1.93 -0.11 0.00 -0.03 0.00 0.00 54.58 52.49 3f62 n ASN 16 Cb 0.15 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 3f62 n ASN 16 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3f62 n ASP 17 N 0.27 -4.35 -4.84 6.41 2.03 -0.53 -5.01 116.55 110.53 3f62 n ASP 17 Ca 0.11 0.27 -0.35 0.00 0.52 0.00 0.00 54.79 55.33 3f62 n ASP 17 Cb 0.24 -2.80 -0.06 0.00 -0.72 0.00 0.00 41.12 37.78 3f62 n ASP 17 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3f62 s GLN 18 N -2.89 4.04 -0.15 -0.67 -0.21 -1.26 -4.89 119.66 113.64 3f62 s GLN 18 Ca 0.00 0.58 -0.12 0.00 0.02 0.00 0.00 55.36 55.84 3f62 s GLN 18 Cb 0.00 -2.90 -0.05 0.00 1.00 0.00 0.00 33.01 31.06 3f62 s GLN 18 CO 0.00 0.45 0.25 0.08 -2.12 0.00 0.00 175.29 173.94 3f62 s VAL 19 N -1.49 5.33 0.31 1.09 1.01 0.75 -1.62 120.40 125.77 3f62 s VAL 19 Ca 0.39 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.53 3f62 s VAL 19 Cb -0.15 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 3f62 s VAL 19 CO 0.20 0.44 1.31 -0.22 0.00 0.00 0.00 175.10 176.82 3f62 s LEU 20 N 0.17 4.43 0.12 3.92 2.96 0.16 -0.93 118.68 129.51 3f62 s LEU 20 Ca 0.15 2.63 -0.12 0.00 -0.22 0.00 0.00 54.13 56.57 3f62 s LEU 20 Cb -0.13 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3f62 s LEU 20 CO 0.03 -0.53 0.30 0.72 -1.32 0.00 0.00 176.35 175.55 3f62 s PHE 21 N -0.89 0.04 -0.27 5.38 -0.71 0.56 -4.49 117.98 117.61 3f62 s PHE 21 Ca 0.51 -0.42 -0.10 0.00 -1.04 0.00 0.00 56.93 55.87 3f62 s PHE 21 Cb -0.39 0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.46 3f62 s PHE 21 CO 0.50 -0.65 0.16 -1.50 -1.34 0.00 0.00 175.22 172.39 3f62 s ILE 22 N -3.86 5.14 0.83 -4.49 2.07 -0.73 -1.56 121.20 118.61 3f62 s ILE 22 Ca 0.06 0.11 -0.07 0.00 -1.41 0.00 0.00 60.65 59.34 3f62 s ILE 22 Cb 0.03 -3.43 0.16 0.00 0.13 0.00 0.00 42.46 39.35 3f62 s ILE 22 CO -0.09 0.29 1.14 1.51 -1.91 0.00 0.00 174.94 175.88 3f62 s ASP 23 N 1.58 3.77 0.64 4.50 -4.77 -0.61 -4.88 116.67 116.90 3f62 s ASP 23 Ca 0.07 -0.13 0.37 0.00 -3.30 0.00 0.00 52.55 49.56 3f62 s ASP 23 Cb -0.15 -0.08 2.03 0.00 -1.09 0.00 0.00 42.92 43.63 3f62 s ASP 23 CO 0.08 -2.27 2.14 1.56 0.70 0.00 0.00 175.17 177.38 3f62 h GLN 24 N -1.03 0.00 -0.49 2.11 4.20 -1.98 -0.64 115.11 117.28 3f62 h GLN 24 Ca -0.39 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 3f62 h GLN 24 Cb 1.25 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 3f62 h GLN 24 CO 0.38 0.00 0.04 0.41 -0.67 0.00 0.00 178.83 178.99 3f62 n GLY 25 N -1.15 3.51 3.23 3.46 0.00 -1.26 -4.94 105.19 108.04 3f62 n GLY 25 Ca -0.02 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 3f62 n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f62 n ASN 26 N 0.07 -4.99 -4.72 1.61 3.02 -0.25 -5.01 115.26 105.00 3f62 n ASN 26 Ca 0.28 -0.36 -0.35 0.00 -0.03 0.00 0.00 54.58 54.12 3f62 n ASN 26 Cb 1.13 -4.06 -0.09 0.00 -0.61 0.00 0.00 39.78 36.16 3f62 n ASN 26 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3f62 s ARG 27 N -5.90 3.41 -0.40 3.52 0.52 -1.26 -4.09 118.95 114.74 3f62 s ARG 27 Ca 0.37 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 54.98 3f62 s ARG 27 Cb -0.18 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.29 3f62 s ARG 27 CO 0.46 0.59 1.13 -1.25 0.02 0.00 0.00 175.30 176.25 3f62 s PRO 28 N -0.54 3.87 0.26 3.54 0.04 -1.26 -1.58 135.00 139.33 3f62 s PRO 28 Ca 0.10 0.81 0.07 0.00 0.04 0.00 0.00 61.00 62.03 3f62 s PRO 28 Cb -0.12 -3.84 -0.05 0.00 0.04 0.00 0.00 34.50 30.53 3f62 s PRO 28 CO 0.02 -1.18 -0.09 -0.51 0.04 0.00 0.00 177.00 175.28 3f62 s LEU 29 N 4.15 2.51 -0.04 -3.56 1.43 -0.60 -2.18 118.68 120.39 3f62 s LEU 29 Ca 0.48 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.48 3f62 s LEU 29 Cb -0.10 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 3f62 s LEU 29 CO 0.25 -0.27 -0.15 -0.36 0.23 0.00 0.00 176.35 176.05 3f62 s PHE 30 N -2.96 2.68 0.06 0.29 0.08 -0.05 -0.33 117.98 117.75 3f62 s PHE 30 Ca 0.28 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.16 3f62 s PHE 30 Cb 0.02 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 3f62 s PHE 30 CO 0.11 0.18 -0.05 -1.83 -0.10 0.00 0.00 175.22 173.53 3f62 s GLU 31 N -0.76 0.61 0.00 0.44 -1.05 -0.10 -4.43 118.70 113.41 3f62 s GLU 31 Ca 0.12 -1.06 -0.02 0.00 -0.15 0.00 0.00 54.97 53.86 3f62 s GLU 31 Cb -0.11 -0.02 -0.08 0.00 -0.44 0.00 0.00 34.13 33.49 3f62 s GLU 31 CO 0.01 -0.04 1.63 -0.25 0.95 0.00 0.00 175.26 177.55 3f62 n ASP 32 N 0.58 2.74 0.00 0.83 8.00 -1.26 -0.18 116.55 127.25 3f62 n ASP 32 Ca -0.17 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.45 3f62 n ASP 32 Cb 0.59 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3f62 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f62 n ALA 42 N 2.29 0.00 0.19 2.24 0.00 -1.26 -4.72 120.51 119.25 3f62 n ALA 42 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.61 3f62 n ALA 42 Cb 0.38 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.17 3f62 n ALA 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3f62 h PRO 43 N 0.00 0.00 0.00 0.00 0.13 -1.95 -1.89 132.00 128.29 3f62 h PRO 43 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3f62 h PRO 43 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3f62 h PRO 43 CO 0.00 0.39 0.00 0.54 -0.23 0.00 0.00 178.00 178.70 3f62 n ARG 44 N -3.63 0.32 0.00 0.86 1.74 -1.26 -2.62 116.66 112.07 3f62 n ARG 44 Ca -0.01 0.04 0.10 0.00 -0.77 0.00 0.00 57.85 57.21 3f62 n ARG 44 Cb 0.49 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.50 3f62 n ARG 44 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3f62 n THR 45 N -1.32 0.00 -3.34 0.55 -2.24 -0.72 -1.77 114.28 105.45 3f62 n THR 45 Ca 0.12 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 3f62 n THR 45 Cb 0.23 1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 69.75 3f62 n THR 45 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3f62 s ILE 46 N -1.75 5.11 -0.03 2.28 -1.09 -1.08 -4.55 121.20 120.10 3f62 s ILE 46 Ca 0.22 -0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 58.11 3f62 s ILE 46 Cb 0.16 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 3f62 s ILE 46 CO 0.29 -0.45 0.20 -0.36 -1.23 0.00 0.00 174.94 173.38 3f62 s PHE 47 N 2.05 3.57 -0.36 3.97 0.08 0.11 -4.48 117.98 122.92 3f62 s PHE 47 Ca 0.10 0.45 -0.13 0.00 0.12 0.00 0.00 56.93 57.47 3f62 s PHE 47 Cb -0.18 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 3f62 s PHE 47 CO 0.12 0.66 0.24 0.42 -0.10 0.00 0.00 175.22 176.56 3f62 s ILE 48 N -1.26 5.05 -0.34 0.64 1.01 0.15 0.43 121.20 126.88 3f62 s ILE 48 Ca 0.25 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 3f62 s ILE 48 Cb -0.13 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3f62 s ILE 48 CO 0.15 -0.12 0.23 -0.63 0.00 0.00 0.00 174.94 174.57 3f62 s ILE 49 N 1.67 5.16 -0.20 2.92 1.01 -0.17 -1.28 121.20 130.31 3f62 s ILE 49 Ca 0.05 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 3f62 s ILE 49 Cb -0.18 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3f62 s ILE 49 CO 0.09 -0.03 0.06 -0.44 0.00 0.00 0.00 174.94 174.62 3f62 s SER 50 N 1.70 5.42 0.07 3.58 0.01 -0.58 -0.61 113.70 123.30 3f62 s SER 50 Ca 0.06 -0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.11 3f62 s SER 50 Cb -0.18 -1.94 -0.07 0.00 0.21 0.00 0.00 66.02 64.05 3f62 s SER 50 CO 0.10 0.10 0.54 -0.04 0.41 0.00 0.00 173.24 174.35 3f62 s MET 51 N 0.81 4.13 -0.05 12.44 -1.94 -0.34 -1.34 119.30 133.01 3f62 s MET 51 Ca 0.03 0.65 0.05 0.00 -1.71 0.00 0.00 55.69 54.72 3f62 s MET 51 Cb -0.14 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 3f62 s MET 51 CO 0.02 0.63 -0.20 0.71 -0.01 0.00 0.00 175.02 176.17 3f62 s TYR 52 N -1.15 1.99 0.55 -0.03 1.51 0.46 -0.14 117.35 120.54 3f62 s TYR 52 Ca 0.29 -0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 55.64 3f62 s TYR 52 Cb -0.18 -1.32 -0.06 0.00 -0.11 0.00 0.00 41.96 40.28 3f62 s TYR 52 CO 0.18 -0.17 1.00 -1.59 -1.11 0.00 0.00 175.55 173.87 3f62 s LYS 53 N -0.09 3.78 -0.04 -0.62 -2.85 -0.29 -3.93 119.74 115.70 3f62 s LYS 53 Ca -0.02 0.93 0.02 0.00 -1.00 0.00 0.00 55.97 55.89 3f62 s LYS 53 Cb -0.12 -2.11 0.01 0.00 -2.06 0.00 0.00 37.83 33.55 3f62 s LYS 53 CO 0.02 -0.41 -0.09 0.34 0.10 0.00 0.00 175.35 175.31 3f62 s ASP 54 N -3.34 1.31 0.07 0.03 -1.08 -1.26 -1.18 116.67 111.22 3f62 s ASP 54 Ca 0.58 -0.21 0.24 0.00 -0.52 0.00 0.00 52.55 52.64 3f62 s ASP 54 Cb -0.11 -0.47 0.95 0.00 -1.46 0.00 0.00 42.92 41.83 3f62 s ASP 54 CO 0.38 0.04 1.74 -1.54 0.52 0.00 0.00 175.17 176.31 3f62 n SER 55 N 3.56 0.24 -3.82 -0.34 3.41 -0.44 -3.68 113.62 112.56 3f62 n SER 55 Ca -0.21 0.54 -0.29 0.00 -0.26 0.00 0.00 58.87 58.65 3f62 n SER 55 Cb 0.53 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 3f62 n SER 55 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3f62 n GLN 56 N -1.74 2.09 -1.67 4.33 7.27 -1.26 -4.84 117.38 121.56 3f62 n GLN 56 Ca 0.05 -4.54 -0.44 0.00 0.07 0.00 0.00 57.00 52.15 3f62 n GLN 56 Cb 0.30 -2.30 -0.03 0.00 2.41 0.00 0.00 30.24 30.61 3f62 n GLN 56 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3f62 n PRO 57 N 1.74 2.68 0.00 3.69 -0.02 -1.24 -4.82 135.00 137.03 3f62 n PRO 57 Ca 0.22 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 3f62 n PRO 57 Cb 0.36 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 3f62 n PRO 57 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3f62 n ARG 58 N 6.72 2.77 -3.74 -0.52 1.74 -1.26 -5.13 116.66 117.25 3f62 n ARG 58 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3f62 n ARG 58 Cb 0.37 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 3f62 n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f62 n GLY 59 N 1.37 -2.43 3.59 -0.13 0.00 -1.26 -5.08 105.19 101.24 3f62 n GLY 59 Ca 0.00 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 3f62 n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3f62 s MET 60 N -1.98 3.32 -0.08 1.61 -2.45 -1.26 -4.95 119.30 113.50 3f62 s MET 60 Ca 0.00 1.08 -0.19 0.00 -1.25 0.00 0.00 55.69 55.33 3f62 s MET 60 Cb 0.00 -4.16 -0.04 0.00 1.25 0.00 0.00 34.83 31.88 3f62 s MET 60 CO 0.00 -1.88 0.53 0.00 1.05 0.00 0.00 175.02 174.71 3f62 s ALA 61 N 6.62 3.47 0.06 4.11 0.00 -1.25 -0.92 121.76 133.85 3f62 s ALA 61 Ca 0.70 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.57 3f62 s ALA 61 Cb -0.17 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 3f62 s ALA 61 CO 0.31 0.05 -0.06 0.14 0.00 0.00 0.00 175.76 176.20 3f62 s VAL 62 N 0.38 0.54 0.17 0.00 -7.23 0.84 -0.40 120.40 114.70 3f62 s VAL 62 Ca 0.28 -1.47 0.07 0.00 -1.81 0.00 0.00 61.98 59.05 3f62 s VAL 62 Cb -0.16 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 3f62 s VAL 62 CO 0.13 -0.64 0.02 0.42 -0.31 0.00 0.00 175.10 174.71 3f62 s THR 63 N -2.51 3.82 -0.14 5.32 -4.23 -0.45 -0.41 115.64 117.04 3f62 s THR 63 Ca -0.00 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 3f62 s THR 63 Cb -0.02 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.92 3f62 s THR 63 CO -0.03 -0.11 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.17 3f62 s ILE 64 N -1.73 1.53 0.22 2.99 1.01 -1.26 -1.52 121.20 122.44 3f62 s ILE 64 Ca 0.28 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3f62 s ILE 64 Cb -0.09 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 3f62 s ILE 64 CO 0.19 0.45 0.10 -0.94 0.00 0.00 0.00 174.94 174.74 3f62 s SER 65 N 1.44 0.80 -0.19 3.58 1.04 -0.40 -0.38 113.70 119.58 3f62 s SER 65 Ca 0.04 -1.35 -0.15 0.00 0.48 0.00 0.00 55.95 54.96 3f62 s SER 65 Cb -0.13 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.28 3f62 s SER 65 CO -0.09 -0.75 0.50 0.54 0.98 0.00 0.00 173.24 174.41 3f62 s VAL 66 N -3.90 -0.01 -0.43 5.02 0.11 0.38 0.29 120.40 121.87 3f62 s VAL 66 Ca 0.36 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.31 3f62 s VAL 66 Cb 0.07 -0.71 0.07 0.00 -1.53 0.00 0.00 36.38 34.29 3f62 s VAL 66 CO 0.11 0.01 0.30 -0.75 -3.33 0.00 0.00 175.10 171.44 3f62 s LYS 67 N 0.64 2.76 -0.44 1.54 2.20 -1.26 -0.93 119.74 124.25 3f62 s LYS 67 Ca -0.03 -1.37 0.07 0.00 -0.36 0.00 0.00 55.97 54.28 3f62 s LYS 67 Cb -0.05 -3.90 0.25 0.00 -1.51 0.00 0.00 37.83 32.62 3f62 s LYS 67 CO -0.04 -0.95 0.57 -1.13 -0.36 0.00 0.00 175.35 173.43 3f62 n SER 68 N 5.03 0.93 0.00 1.43 3.41 -1.26 -4.65 113.62 118.50 3f62 n SER 68 Ca -0.11 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 3f62 n SER 68 Cb 0.44 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3f62 n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3f62 n GLU 69 N 1.32 0.00 -3.82 4.33 1.02 -1.26 -4.92 120.64 117.31 3f62 n GLU 69 Ca 0.23 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.32 3f62 n GLU 69 Cb 0.50 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 3f62 n GLU 69 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3f62 s LYS 70 N -0.03 1.53 -0.18 3.49 -0.14 -1.26 -5.14 119.74 118.01 3f62 s LYS 70 Ca 0.00 -0.91 -0.17 0.00 -1.36 0.00 0.00 55.97 53.53 3f62 s LYS 70 Cb 0.00 0.47 -0.04 0.00 -1.68 0.00 0.00 37.83 36.59 3f62 s LYS 70 CO 0.00 -0.71 0.44 0.42 -0.76 0.00 0.00 175.35 174.74 3f62 s ILE 71 N -2.92 5.18 -0.03 2.17 1.09 -1.26 -4.42 121.20 121.00 3f62 s ILE 71 Ca 0.15 0.80 0.05 0.00 -1.10 0.00 0.00 60.65 60.56 3f62 s ILE 71 Cb -0.03 -3.77 -0.02 0.00 -1.06 0.00 0.00 42.46 37.58 3f62 s ILE 71 CO 0.06 0.26 -0.18 -0.44 -0.10 0.00 0.00 174.94 174.53 3f62 s SER 72 N 0.95 3.74 -0.11 3.58 0.01 -0.11 -1.70 113.70 120.05 3f62 s SER 72 Ca 0.21 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.20 3f62 s SER 72 Cb -0.15 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.39 3f62 s SER 72 CO 0.08 0.33 -0.18 -0.89 0.41 0.00 0.00 173.24 172.99 3f62 s THR 73 N -0.72 2.60 0.26 1.44 2.01 0.45 -0.47 115.64 121.22 3f62 s THR 73 Ca 0.11 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 3f62 s THR 73 Cb -0.10 -2.05 -0.10 0.00 0.01 0.00 0.00 72.50 70.26 3f62 s THR 73 CO 0.00 0.54 1.41 -0.22 -0.69 0.00 0.00 174.62 175.67 3f62 s LEU 74 N 0.26 4.39 0.03 4.42 2.96 0.49 -0.37 118.68 130.85 3f62 s LEU 74 Ca -0.12 2.67 0.04 0.00 -0.22 0.00 0.00 54.13 56.49 3f62 s LEU 74 Cb -0.16 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 3f62 s LEU 74 CO 0.07 -0.67 -0.12 -0.55 -1.32 0.00 0.00 176.35 173.75 3f62 s SER 75 N 0.21 1.45 -0.24 3.68 0.15 0.55 -4.42 113.70 115.08 3f62 s SER 75 Ca 0.57 -0.39 0.13 0.00 0.70 0.00 0.00 55.95 56.96 3f62 s SER 75 Cb -0.41 -0.10 0.59 0.00 -1.71 0.00 0.00 66.02 64.39 3f62 s SER 75 CO 0.45 0.03 1.54 -1.54 1.20 0.00 0.00 173.24 174.93 3f62 n SER 76 N 2.11 3.86 -4.72 5.45 3.41 0.85 -1.78 113.62 122.79 3f62 n SER 76 Ca -0.17 -3.24 -0.43 0.00 -0.26 0.00 0.00 58.87 54.77 3f62 n SER 76 Cb 0.55 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 3f62 n SER 76 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3f62 n GLU 77 N -0.54 2.55 -1.64 4.33 2.13 -1.22 -1.36 120.64 124.89 3f62 n GLU 77 Ca 0.29 0.91 -0.16 0.00 0.66 0.00 0.00 57.16 58.86 3f62 n GLU 77 Cb 1.06 -2.67 -0.06 0.00 0.27 0.00 0.00 31.44 30.04 3f62 n GLU 77 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3f62 n ASN 78 N 2.44 -4.94 0.00 4.31 5.03 -1.26 -2.40 115.26 118.43 3f62 n ASN 78 Ca 0.10 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.87 3f62 n ASN 78 Cb 0.35 -3.91 0.00 0.00 -1.02 0.00 0.00 39.78 35.20 3f62 n ASN 78 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3f62 n LYS 79 N -2.53 -1.27 -4.27 3.52 5.02 -0.46 -4.97 118.16 113.21 3f62 n LYS 79 Ca -0.17 0.32 -0.35 0.00 -2.02 0.00 0.00 58.31 56.08 3f62 n LYS 79 Cb 0.56 -4.37 -0.09 0.00 -0.02 0.00 0.00 35.03 31.11 3f62 n LYS 79 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3f62 s ILE 80 N -1.35 4.55 -0.06 -0.18 -1.09 -1.01 -4.65 121.20 117.40 3f62 s ILE 80 Ca 0.00 -0.15 -0.28 0.00 -2.23 0.00 0.00 60.65 57.99 3f62 s ILE 80 Cb 0.00 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 3f62 s ILE 80 CO 0.00 0.60 0.90 -0.63 -1.23 0.00 0.00 174.94 174.57 3f62 s ILE 81 N -0.81 4.90 0.28 2.92 -1.09 -1.26 -3.37 121.20 122.77 3f62 s ILE 81 Ca 0.13 1.84 -0.12 0.00 -2.23 0.00 0.00 60.65 60.27 3f62 s ILE 81 Cb -0.12 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 3f62 s ILE 81 CO 0.02 0.13 0.52 -0.94 -1.23 0.00 0.00 174.94 173.44 3f62 s SER 82 N 1.00 0.09 -0.11 3.58 1.04 -0.73 -4.91 113.70 113.66 3f62 s SER 82 Ca 0.46 -1.03 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 3f62 s SER 82 Cb -0.19 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3f62 s SER 82 CO 0.21 -1.23 0.17 -0.36 0.98 0.00 0.00 173.24 173.01 3f62 s PHE 83 N -3.68 3.61 -0.06 5.02 0.08 -1.26 -0.33 117.98 121.36 3f62 s PHE 83 Ca 0.23 0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.87 3f62 s PHE 83 Cb -0.01 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 3f62 s PHE 83 CO 0.11 0.72 -0.05 0.15 -0.10 0.00 0.00 175.22 176.05 3f62 s LYS 84 N -1.01 2.79 -0.90 0.44 1.02 0.50 -4.89 119.74 117.68 3f62 s LYS 84 Ca 0.16 -0.53 -0.25 0.00 0.02 0.00 0.00 55.97 55.37 3f62 s LYS 84 Cb -0.13 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.59 3f62 s LYS 84 CO 0.05 0.67 1.37 -2.00 -0.92 0.00 0.00 175.35 174.52 3f62 s GLU 85 N -0.93 3.42 -0.18 1.68 2.12 -1.26 -0.41 118.70 123.14 3f62 s GLU 85 Ca 0.13 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 3f62 s GLU 85 Cb -0.11 -4.87 0.14 0.00 0.26 0.00 0.00 34.13 29.55 3f62 s GLU 85 CO 0.03 -2.18 1.07 0.00 -0.54 0.00 0.00 175.26 173.64 3f62 s MET 86 N 5.25 0.49 0.04 4.30 0.23 -0.69 -4.98 119.30 123.94 3f62 s MET 86 Ca 0.41 0.09 -0.28 0.00 -1.03 0.00 0.00 55.69 54.88 3f62 s MET 86 Cb -0.03 0.23 -0.05 0.00 -1.53 0.00 0.00 34.83 33.45 3f62 s MET 86 CO 0.00 -0.16 0.89 -0.80 -2.03 0.00 0.00 175.02 172.92 3f62 s ASN 87 N -1.20 7.32 -0.23 -1.18 -0.87 -1.26 -3.90 114.94 113.61 3f62 s ASN 87 Ca 0.01 1.59 -0.38 0.00 -1.57 0.00 0.00 52.86 52.51 3f62 s ASN 87 Cb -0.01 -2.53 -0.14 0.00 -0.02 0.00 0.00 41.25 38.55 3f62 s ASN 87 CO -0.01 -0.12 1.83 -2.65 -2.57 0.00 0.00 177.10 173.58 3f62 n PRO 88 N 3.28 1.46 -1.66 -0.60 -0.02 -1.26 -4.90 135.00 131.30 3f62 n PRO 88 Ca 0.02 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.71 3f62 n PRO 88 Cb 0.50 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3f62 n PRO 88 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3f62 s PRO 89 N 3.97 2.97 0.37 0.52 0.04 -1.26 -4.96 135.00 136.65 3f62 s PRO 89 Ca 0.98 1.04 0.09 0.00 0.04 0.00 0.00 61.00 63.15 3f62 s PRO 89 Cb -0.94 -1.99 0.74 0.00 0.04 0.00 0.00 34.50 32.35 3f62 s PRO 89 CO 0.60 -1.08 1.89 -0.44 0.04 0.00 0.00 177.00 178.01 3f62 h ASP 90 N -0.45 0.23 -3.96 6.66 3.32 -1.95 -3.41 116.42 116.84 3f62 h ASP 90 Ca -0.45 -0.05 -0.36 0.00 0.02 0.00 0.00 57.03 56.19 3f62 h ASP 90 Cb 1.21 -0.06 -0.29 0.00 0.22 0.00 0.00 39.33 40.42 3f62 h ASP 90 CO 0.56 0.41 -0.77 0.20 -1.72 0.00 0.00 179.24 177.93 3f62 s ASN 91 N -6.88 0.85 -0.23 6.45 -0.87 -1.26 -0.60 114.94 112.40 3f62 s ASN 91 Ca -0.05 -0.13 0.01 0.00 -1.57 0.00 0.00 52.86 51.12 3f62 s ASN 91 Cb 0.15 -0.10 0.04 0.00 -0.02 0.00 0.00 41.25 41.32 3f62 s ASN 91 CO 0.74 0.09 -0.12 -0.63 -2.57 0.00 0.00 177.10 174.60 3f62 s ILE 92 N -0.14 2.35 -0.76 0.60 1.01 -0.27 -4.97 121.20 119.01 3f62 s ILE 92 Ca 0.02 -1.25 0.26 0.00 0.00 0.00 0.00 60.65 59.68 3f62 s ILE 92 Cb -0.03 -2.21 0.28 0.00 0.01 0.00 0.00 42.46 40.50 3f62 s ILE 92 CO -0.00 0.20 1.79 0.29 0.00 0.00 0.00 174.94 177.23 3f62 n LYS 93 N 4.56 0.22 -2.76 2.79 5.02 -1.26 -0.25 118.16 126.48 3f62 n LYS 93 Ca -0.17 0.19 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 3f62 n LYS 93 Cb 0.46 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 3f62 n LYS 93 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f62 s ASP 94 N -4.29 6.88 0.15 4.39 1.01 -1.26 -4.50 116.67 119.06 3f62 s ASP 94 Ca 0.11 1.66 -0.08 0.00 0.71 0.00 0.00 52.55 54.95 3f62 s ASP 94 Cb 0.13 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.53 3f62 s ASP 94 CO 0.58 -0.39 1.44 0.74 0.21 0.00 0.00 175.17 177.75 3f62 h THR 95 N 1.75 1.30 -3.83 -1.27 2.02 -1.87 -3.39 112.91 107.61 3f62 h THR 95 Ca -0.49 -1.79 -0.68 0.00 0.77 0.00 0.00 66.41 64.23 3f62 h THR 95 Cb 1.18 1.72 -0.20 0.00 -1.74 0.00 0.00 68.15 69.11 3f62 h THR 95 CO 0.61 0.57 -0.77 -0.54 0.37 0.00 0.00 175.52 175.76 3f62 s LYS 96 N -4.03 2.20 -0.01 6.66 1.02 -1.26 -4.70 119.74 119.62 3f62 s LYS 96 Ca -0.09 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 54.97 3f62 s LYS 96 Cb 0.11 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3f62 s LYS 96 CO 0.87 0.55 0.03 0.45 -0.92 0.00 0.00 175.35 176.33 3f62 s SER 97 N -1.51 -0.03 0.58 2.83 0.15 -1.26 -4.93 113.70 109.53 3f62 s SER 97 Ca 0.16 0.05 0.38 0.00 0.70 0.00 0.00 55.95 57.24 3f62 s SER 97 Cb -0.11 0.06 1.96 0.00 -1.71 0.00 0.00 66.02 66.22 3f62 s SER 97 CO 0.07 -0.02 2.16 0.44 1.20 0.00 0.00 173.24 177.09 3f62 h ASP 98 N 6.08 0.00 -0.01 5.45 3.32 -1.95 -2.78 116.42 126.52 3f62 h ASP 98 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3f62 h ASP 98 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3f62 h ASP 98 CO 0.49 0.00 -0.31 2.30 -1.72 0.00 0.00 179.24 180.00 3f62 n ILE 99 N -2.93 0.00 -3.55 0.35 -5.35 -1.26 -0.11 119.36 106.51 3f62 n ILE 99 Ca -0.02 -0.34 -0.36 0.00 -0.27 0.00 0.00 62.75 61.76 3f62 n ILE 99 Cb 0.13 1.20 -0.07 0.00 -1.74 0.00 0.00 39.64 39.15 3f62 n ILE 99 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3f62 s ILE 100 N -1.86 5.31 0.06 7.28 -1.09 -1.05 -4.22 121.20 125.63 3f62 s ILE 100 Ca 0.14 0.53 0.09 0.00 -2.23 0.00 0.00 60.65 59.17 3f62 s ILE 100 Cb 0.13 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3f62 s ILE 100 CO 0.39 0.40 -0.25 -0.36 -1.23 0.00 0.00 174.94 173.89 3f62 s PHE 101 N 0.43 2.19 -0.27 3.97 0.08 0.46 -1.57 117.98 123.26 3f62 s PHE 101 Ca 0.16 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.63 3f62 s PHE 101 Cb -0.13 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3f62 s PHE 101 CO 0.04 0.16 0.51 -0.06 -0.10 0.00 0.00 175.22 175.77 3f62 s PHE 102 N -0.86 3.25 -0.13 0.36 0.08 0.11 -0.11 117.98 120.69 3f62 s PHE 102 Ca 0.11 0.57 -0.17 0.00 0.12 0.00 0.00 56.93 57.55 3f62 s PHE 102 Cb -0.10 -2.75 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 3f62 s PHE 102 CO 0.03 -0.32 0.43 -1.14 -0.10 0.00 0.00 175.22 174.12 3f62 s GLN 103 N 2.33 4.31 0.10 0.44 0.74 -0.10 -0.88 119.66 126.59 3f62 s GLN 103 Ca 0.21 0.37 0.05 0.00 0.05 0.00 0.00 55.36 56.04 3f62 s GLN 103 Cb -0.16 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 3f62 s GLN 103 CO 0.10 0.19 -0.13 1.03 -0.55 0.00 0.00 175.29 175.92 3f62 s ARG 104 N 0.56 0.92 0.34 1.67 0.52 0.09 -4.31 118.95 118.74 3f62 s ARG 104 Ca 0.24 -1.12 -0.29 0.00 -0.52 0.00 0.00 55.73 54.04 3f62 s ARG 104 Cb -0.15 -0.82 -0.12 0.00 0.52 0.00 0.00 34.95 34.39 3f62 s ARG 104 CO 0.09 0.16 1.49 0.43 0.02 0.00 0.00 175.30 177.49 3f62 n SER 105 N 0.82 3.60 -4.69 0.23 7.64 -1.26 -1.07 113.62 118.89 3f62 n SER 105 Ca -0.18 1.20 -0.42 0.00 1.01 0.00 0.00 58.87 60.47 3f62 n SER 105 Cb 0.56 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 3f62 n SER 105 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3f62 s VAL 106 N -0.72 4.53 -0.09 0.44 1.01 -0.53 -4.79 120.40 120.25 3f62 s VAL 106 Ca 0.58 1.82 -0.37 0.00 0.00 0.00 0.00 61.98 64.01 3f62 s VAL 106 Cb -0.51 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 31.55 3f62 s VAL 106 CO 0.58 0.01 1.65 -2.65 0.00 0.00 0.00 175.10 174.69 3f62 n PRO 107 N 5.02 1.51 -0.56 2.72 -0.02 -1.26 -1.78 135.00 140.63 3f62 n PRO 107 Ca 0.10 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3f62 n PRO 107 Cb 0.48 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3f62 n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f62 n GLY 108 N 3.72 1.74 2.24 -1.23 0.00 -1.26 -4.88 105.19 105.51 3f62 n GLY 108 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 3f62 n GLY 108 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f62 n HIS 109 N -2.00 -0.01 0.41 1.61 8.25 -0.73 -5.00 115.22 117.74 3f62 n HIS 109 Ca 0.00 -3.60 0.13 0.00 -0.26 0.00 0.00 57.72 53.99 3f62 n HIS 109 Cb 0.00 -0.30 0.50 0.00 1.12 0.00 0.00 29.99 31.31 3f62 n HIS 109 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3f62 h ASP 110 N 4.22 0.00 -0.31 0.41 3.58 -1.90 -0.26 116.42 122.16 3f62 h ASP 110 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3f62 h ASP 110 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 3f62 h ASP 110 CO 0.49 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 176.39 3f62 n ASN 111 N -2.41 2.31 -4.65 2.28 6.94 -1.26 -4.80 115.26 113.67 3f62 n ASN 111 Ca 0.02 -1.87 -0.25 0.00 -0.02 0.00 0.00 54.58 52.47 3f62 n ASN 111 Cb 0.28 -0.20 -0.08 0.00 -2.36 0.00 0.00 39.78 37.42 3f62 n ASN 111 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3f62 s LYS 112 N -1.60 2.35 0.17 -3.83 -0.14 -0.11 -4.75 119.74 111.83 3f62 s LYS 112 Ca 0.33 -1.22 0.09 0.00 -1.36 0.00 0.00 55.97 53.81 3f62 s LYS 112 Cb 0.18 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 3f62 s LYS 112 CO 0.26 0.42 -0.13 -1.64 -0.76 0.00 0.00 175.35 173.50 3f62 s MET 113 N -3.20 1.93 0.08 1.68 -1.94 0.15 -1.46 119.30 116.55 3f62 s MET 113 Ca 0.29 -1.28 0.04 0.00 -1.71 0.00 0.00 55.69 53.02 3f62 s MET 113 Cb -0.08 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.62 3f62 s MET 113 CO 0.19 0.44 -0.11 1.14 -0.01 0.00 0.00 175.02 176.67 3f62 s GLN 114 N -2.66 0.78 -0.23 2.03 -2.07 -0.23 -0.13 119.66 117.15 3f62 s GLN 114 Ca 0.23 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.75 3f62 s GLN 114 Cb -0.09 -0.58 0.06 0.00 -1.09 0.00 0.00 33.01 31.31 3f62 s GLN 114 CO 0.13 0.11 -0.04 -0.06 -1.32 0.00 0.00 175.29 174.11 3f62 s PHE 115 N -1.89 2.20 -0.07 9.60 0.08 -1.26 -0.73 117.98 125.91 3f62 s PHE 115 Ca 0.00 -1.63 -0.18 0.00 0.12 0.00 0.00 56.93 55.25 3f62 s PHE 115 Cb -0.06 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.83 3f62 s PHE 115 CO 0.01 -0.75 0.47 -2.00 -0.10 0.00 0.00 175.22 172.85 3f62 s GLU 116 N 1.46 4.23 0.17 0.44 2.12 -0.06 -1.53 118.70 125.53 3f62 s GLU 116 Ca -0.05 0.48 -0.32 0.00 0.36 0.00 0.00 54.97 55.45 3f62 s GLU 116 Cb -0.19 -3.36 -0.11 0.00 0.26 0.00 0.00 34.13 30.74 3f62 s GLU 116 CO -0.07 0.34 1.68 0.45 -0.54 0.00 0.00 175.26 177.13 3f62 s SER 117 N 0.00 6.47 0.48 -1.70 0.15 -0.07 0.10 113.70 119.13 3f62 s SER 117 Ca 0.26 2.74 0.27 0.00 0.70 0.00 0.00 55.95 59.92 3f62 s SER 117 Cb -0.16 -2.59 1.07 0.00 -1.71 0.00 0.00 66.02 62.63 3f62 s SER 117 CO 0.12 -0.92 1.88 0.77 1.20 0.00 0.00 173.24 176.29 3f62 h SER 118 N 7.17 0.00 0.65 5.45 4.64 -1.49 -3.23 113.55 126.74 3f62 h SER 118 Ca -0.43 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.65 3f62 h SER 118 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3f62 h SER 118 CO 0.94 0.13 -1.06 0.28 -0.87 0.00 0.00 176.83 176.25 3f62 h SER 119 N 0.00 0.31 -3.30 4.97 0.02 -1.79 -3.42 113.55 110.34 3f62 h SER 119 Ca -0.00 -0.30 -0.60 0.00 -0.84 0.00 0.00 61.79 60.05 3f62 h SER 119 Cb 0.67 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 62.71 3f62 h SER 119 CO 0.02 1.18 -0.76 -0.31 -1.14 0.00 0.00 176.83 175.82 3f62 s TYR 120 N -2.89 1.71 0.22 3.45 2.02 -1.22 -5.01 117.35 115.63 3f62 s TYR 120 Ca -0.03 -2.22 -0.32 0.00 -0.37 0.00 0.00 57.07 54.13 3f62 s TYR 120 Cb 0.09 -1.69 -0.14 0.00 -0.40 0.00 0.00 41.96 39.82 3f62 s TYR 120 CO 0.85 -0.80 1.39 -1.91 -1.57 0.00 0.00 175.55 173.51 3f62 n GLU 121 N 3.74 1.89 -0.96 -0.62 2.13 -1.26 -1.42 120.64 124.15 3f62 n GLU 121 Ca 0.08 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3f62 n GLU 121 Cb 0.35 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.74 3f62 n GLU 121 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f62 n GLY 122 N 2.27 0.71 3.84 8.31 0.00 -1.26 -5.02 105.19 114.04 3f62 n GLY 122 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3f62 n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f62 s TYR 123 N -2.81 3.57 0.07 1.61 1.51 -0.50 -1.61 117.35 119.18 3f62 s TYR 123 Ca 0.00 0.52 0.07 0.00 -1.01 0.00 0.00 57.07 56.65 3f62 s TYR 123 Cb 0.00 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 3f62 s TYR 123 CO 0.00 0.62 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.83 3f62 s PHE 124 N -0.70 1.54 0.30 2.71 0.08 0.07 -0.89 117.98 121.10 3f62 s PHE 124 Ca 0.14 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.49 3f62 s PHE 124 Cb -0.12 -0.88 -0.12 0.00 -0.57 0.00 0.00 43.02 41.33 3f62 s PHE 124 CO 0.03 0.11 1.49 1.28 -0.10 0.00 0.00 175.22 178.03 3f62 n LEU 125 N 1.49 4.03 -3.84 -0.37 4.77 -0.58 -0.21 117.00 122.29 3f62 n LEU 125 Ca -0.19 1.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.84 3f62 n LEU 125 Cb 0.54 -1.54 -0.10 0.00 -2.33 0.00 0.00 43.42 39.99 3f62 n LEU 125 CO 0.22 -0.08 -0.12 0.00 -1.33 0.00 0.00 177.39 176.08 3f62 s ALA 126 N -0.36 -0.44 -0.10 -1.18 0.00 0.03 -4.39 121.76 115.32 3f62 s ALA 126 Ca 0.62 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.38 3f62 s ALA 126 Cb -0.54 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3f62 s ALA 126 CO 0.53 -0.22 0.56 0.45 0.00 0.00 0.00 175.76 177.09 3f62 s SER 127 N -1.31 6.79 -0.04 0.00 0.15 -0.31 0.08 113.70 119.06 3f62 s SER 127 Ca -0.14 0.95 0.01 0.00 0.70 0.00 0.00 55.95 57.47 3f62 s SER 127 Cb -0.07 -2.33 0.02 0.00 -1.71 0.00 0.00 66.02 61.93 3f62 s SER 127 CO 0.02 -0.05 -0.06 -0.70 1.20 0.00 0.00 173.24 173.65 3f62 s GLU 128 N 0.72 0.91 -0.01 5.44 2.12 0.14 -4.81 118.70 123.20 3f62 s GLU 128 Ca 0.30 -0.17 -0.16 0.00 0.36 0.00 0.00 54.97 55.30 3f62 s GLU 128 Cb -0.16 -0.87 -0.06 0.00 0.26 0.00 0.00 34.13 33.31 3f62 s GLU 128 CO 0.13 -0.02 0.44 0.21 -0.54 0.00 0.00 175.26 175.47 3f62 s LYS 129 N 0.70 4.03 0.00 4.30 2.20 -1.26 0.13 119.74 129.83 3f62 s LYS 129 Ca -0.10 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 3f62 s LYS 129 Cb -0.13 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 3f62 s LYS 129 CO 0.01 0.59 0.00 1.28 -0.36 0.00 0.00 175.35 176.87 3f62 n LEU 133 N 2.13 0.00 -4.24 5.43 4.32 -1.26 -4.89 117.00 118.49 3f62 n LEU 133 Ca -0.12 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.51 3f62 n LEU 133 Cb 0.52 -0.72 -0.14 0.00 -1.62 0.00 0.00 43.42 41.46 3f62 n LEU 133 CO 0.39 0.00 -0.37 -0.36 -1.22 0.00 0.00 177.39 175.83 3f62 s PHE 134 N -1.72 3.10 -0.05 -1.77 0.08 -1.26 -5.07 117.98 111.29 3f62 s PHE 134 Ca 0.00 -1.42 -0.02 0.00 0.12 0.00 0.00 56.93 55.62 3f62 s PHE 134 Cb 0.00 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 3f62 s PHE 134 CO 0.00 -0.69 0.05 0.15 -0.10 0.00 0.00 175.22 174.63 3f62 s LYS 135 N 1.37 3.06 -0.10 0.44 1.02 0.12 -0.87 119.74 124.77 3f62 s LYS 135 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 3f62 s LYS 135 Cb -0.17 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 3f62 s LYS 135 CO -0.02 0.68 1.39 -1.17 -0.92 0.00 0.00 175.35 175.31 3f62 s LEU 136 N -1.32 4.25 0.39 3.17 2.96 -0.92 0.27 118.68 127.47 3f62 s LEU 136 Ca 0.18 1.91 0.04 0.00 -0.22 0.00 0.00 54.13 56.04 3f62 s LEU 136 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3f62 s LEU 136 CO 0.08 -0.79 0.08 0.27 -1.32 0.00 0.00 176.35 174.67 3f62 s ILE 137 N 3.39 0.94 -0.13 6.68 -4.36 0.11 -4.79 121.20 123.04 3f62 s ILE 137 Ca 0.61 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.99 3f62 s ILE 137 Cb -0.27 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 40.90 3f62 s ILE 137 CO 0.21 0.00 -0.08 -0.22 0.24 0.00 0.00 174.94 175.09 3f62 s LEU 138 N -3.60 3.03 -0.26 0.37 2.96 -1.26 -0.79 118.68 119.14 3f62 s LEU 138 Ca 0.27 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3f62 s LEU 138 Cb 0.05 -1.70 0.12 0.00 0.50 0.00 0.00 46.19 45.15 3f62 s LEU 138 CO 0.14 0.19 0.25 -0.75 -1.32 0.00 0.00 176.35 174.86 3f62 s LYS 139 N 0.20 0.26 -0.31 1.98 2.20 0.71 -4.88 119.74 119.90 3f62 s LYS 139 Ca -0.05 -0.07 -0.37 0.00 -0.36 0.00 0.00 55.97 55.12 3f62 s LYS 139 Cb -0.14 -0.90 -0.16 0.00 -1.51 0.00 0.00 37.83 35.11 3f62 s LYS 139 CO 0.04 -0.90 1.20 1.17 -0.36 0.00 0.00 175.35 176.50 3f62 n LYS 140 N 5.31 0.00 -2.87 4.03 3.00 -1.26 -0.75 118.16 125.62 3f62 n LYS 140 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.85 3f62 n LYS 140 Cb 0.47 -1.22 -0.04 0.00 0.00 0.00 0.00 35.03 34.24 3f62 n LYS 140 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3f62 s GLU 141 N 1.88 4.11 -0.00 1.64 2.12 -0.63 -4.87 118.70 122.94 3f62 s GLU 141 Ca 0.83 0.88 0.03 0.00 0.36 0.00 0.00 54.97 57.06 3f62 s GLU 141 Cb -1.17 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 29.51 3f62 s GLU 141 CO 0.62 -0.60 0.12 -0.25 -0.54 0.00 0.00 175.26 174.60 3f62 n ASP 142 N 6.16 0.50 -3.77 -1.70 8.00 -1.26 -5.02 116.55 119.46 3f62 n ASP 142 Ca 0.06 -0.52 -0.13 0.00 0.71 0.00 0.00 54.79 54.91 3f62 n ASP 142 Cb 0.48 1.01 -0.11 0.00 -0.02 0.00 0.00 41.12 42.48 3f62 n ASP 142 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3f62 s GLU 143 N -1.35 0.37 0.19 -1.24 2.12 -1.26 -5.14 118.70 112.39 3f62 s GLU 143 Ca 0.01 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.42 3f62 s GLU 143 Cb 0.02 0.18 -0.08 0.00 0.26 0.00 0.00 34.13 34.51 3f62 s GLU 143 CO 0.12 -0.05 1.13 -1.17 -0.54 0.00 0.00 175.26 174.75 3f62 s LEU 144 N 0.06 4.48 -0.48 2.70 2.96 -1.26 -3.56 118.68 123.59 3f62 s LEU 144 Ca -0.01 2.16 -0.00 0.00 -0.22 0.00 0.00 54.13 56.06 3f62 s LEU 144 Cb -0.02 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3f62 s LEU 144 CO 0.01 -0.26 0.01 0.61 -1.32 0.00 0.00 176.35 175.39 3f62 n GLY 145 N 1.98 0.15 3.59 7.98 0.00 -1.26 -4.97 105.19 112.66 3f62 n GLY 145 Ca 0.03 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3f62 n GLY 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f62 s ASP 146 N -2.76 6.02 0.48 1.61 2.15 -1.23 -4.86 116.67 118.08 3f62 s ASP 146 Ca 0.00 0.87 0.27 0.00 0.43 0.00 0.00 52.55 54.13 3f62 s ASP 146 Cb -0.00 -2.53 1.08 0.00 -0.30 0.00 0.00 42.92 41.17 3f62 s ASP 146 CO 0.01 -1.69 1.89 0.03 -0.17 0.00 0.00 175.17 175.24 3f62 h ARG 147 N 12.06 0.00 0.00 4.34 3.08 -1.94 -3.11 114.38 128.80 3f62 h ARG 147 Ca -0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 3f62 h ARG 147 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 3f62 h ARG 147 CO 1.09 0.14 -0.09 0.66 -1.07 0.00 0.00 179.97 180.70 3f62 h SER 148 N 0.00 0.00 -0.26 7.04 4.64 -1.89 -1.92 113.55 121.16 3f62 h SER 148 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f62 h SER 148 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3f62 h SER 148 CO 0.02 0.09 0.00 2.30 -0.87 0.00 0.00 176.83 178.37 3f62 n ILE 149 N -3.39 0.34 -3.95 0.95 -5.35 -1.18 -1.17 119.36 105.62 3f62 n ILE 149 Ca -0.01 -0.44 -0.36 0.00 -0.27 0.00 0.00 62.75 61.67 3f62 n ILE 149 Cb 0.25 0.38 -0.08 0.00 -1.74 0.00 0.00 39.64 38.46 3f62 n ILE 149 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3f62 s MET 150 N -1.66 3.66 0.03 6.28 -1.94 -0.72 -4.32 119.30 120.63 3f62 s MET 150 Ca 0.31 -0.24 0.04 0.00 -1.71 0.00 0.00 55.69 54.09 3f62 s MET 150 Cb 0.17 -3.19 -0.02 0.00 2.01 0.00 0.00 34.83 33.80 3f62 s MET 150 CO 0.24 0.55 -0.11 -0.06 -0.01 0.00 0.00 175.02 175.63 3f62 s PHE 151 N -0.40 0.93 -0.22 -0.03 0.08 0.81 -3.89 117.98 115.27 3f62 s PHE 151 Ca 0.11 -0.35 -0.17 0.00 0.12 0.00 0.00 56.93 56.64 3f62 s PHE 151 Cb -0.12 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.74 3f62 s PHE 151 CO 0.02 -0.01 0.46 0.99 -0.10 0.00 0.00 175.22 176.58 3f62 s THR 152 N -0.87 5.14 -0.39 0.64 2.01 0.19 0.34 115.64 122.69 3f62 s THR 152 Ca -0.02 0.82 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 3f62 s THR 152 Cb -0.07 -3.79 0.10 0.00 0.01 0.00 0.00 72.50 68.75 3f62 s THR 152 CO 0.01 0.18 0.17 -0.69 -0.69 0.00 0.00 174.62 173.60 3f62 s VAL 153 N 1.69 3.13 -0.11 3.82 1.01 -1.26 -0.63 120.40 128.05 3f62 s VAL 153 Ca 0.21 -2.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.05 3f62 s VAL 153 Cb -0.15 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3f62 s VAL 153 CO 0.09 -0.63 0.23 -1.10 0.00 0.00 0.00 175.10 173.69 3f62 s GLN 154 N 1.12 3.78 -0.01 2.72 -0.21 0.58 -4.93 119.66 122.71 3f62 s GLN 154 Ca 0.07 0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.19 3f62 s GLN 154 Cb -0.22 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 3f62 s GLN 154 CO -0.04 0.62 1.17 -0.80 -2.12 0.00 0.00 175.29 174.11 3f62 s ASN 155 N -0.64 7.10 0.00 5.90 0.01 -1.26 -1.33 114.94 124.71 3f62 s ASN 155 Ca 0.17 1.86 0.25 0.00 -0.71 0.00 0.00 52.86 54.43 3f62 s ASN 155 Cb -0.13 -2.57 0.46 0.00 0.41 0.00 0.00 41.25 39.42 3f62 s ASN 155 CO 0.06 -0.51 1.41 -0.62 -1.51 0.00 0.00 177.10 175.93