#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ft4 n ASP 12 N 0.00 -2.63 -0.55 3.17 9.92 -1.26 -5.14 116.55 120.06 1ft4 n ASP 12 Ca 0.00 0.90 0.00 0.00 -0.53 0.00 0.00 54.79 55.16 1ft4 n ASP 12 Cb 0.00 -3.54 0.00 0.00 -0.64 0.00 0.00 41.12 36.94 1ft4 n ASP 12 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ft4 n SER 13 N 1.04 0.00 0.00 -2.24 7.64 -1.26 -5.14 113.62 113.66 1ft4 n SER 13 Ca -0.18 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1ft4 n SER 13 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1ft4 n SER 13 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ft4 n VAL 14 N 0.00 0.00 -0.79 0.44 0.31 -1.26 -5.09 118.33 111.93 1ft4 n VAL 14 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1ft4 n VAL 14 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 1ft4 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ft4 n PRO 16 N -0.83 0.69 -1.52 0.00 -0.04 -1.26 -4.91 135.00 127.13 1ft4 n PRO 16 Ca 0.02 -0.46 -0.46 0.00 -0.04 0.00 0.00 63.50 62.57 1ft4 n PRO 16 Cb 0.60 -0.08 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 1ft4 n PRO 16 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ft4 n GLN 17 N -1.25 1.39 0.00 0.54 -0.06 -1.26 -0.59 117.38 116.15 1ft4 n GLN 17 Ca 0.03 0.34 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 1ft4 n GLN 17 Cb 0.09 -2.86 0.00 0.00 -4.06 0.00 0.00 30.24 23.41 1ft4 n GLN 17 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ft4 n GLY 18 N 6.18 0.81 3.19 1.69 0.00 -1.26 -5.06 105.19 110.74 1ft4 n GLY 18 Ca 0.37 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 1ft4 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ft4 s LYS 19 N -0.41 0.88 0.27 1.61 3.01 0.24 -0.96 119.74 124.38 1ft4 s LYS 19 Ca 0.00 -1.05 0.07 0.00 -1.01 0.00 0.00 55.97 53.98 1ft4 s LYS 19 Cb 0.00 -0.82 -0.03 0.00 -1.01 0.00 0.00 37.83 35.97 1ft4 s LYS 19 CO 0.00 0.17 0.22 1.52 0.51 0.00 0.00 175.35 177.77 1ft4 s TYR 20 N -1.62 3.07 0.34 3.18 1.13 0.67 -4.63 117.35 119.49 1ft4 s TYR 20 Ca 0.02 -0.16 -0.13 0.00 -1.41 0.00 0.00 57.07 55.39 1ft4 s TYR 20 Cb -0.08 -1.50 -0.08 0.00 -1.10 0.00 0.00 41.96 39.20 1ft4 s TYR 20 CO 0.02 0.44 0.74 0.96 -2.51 0.00 0.00 175.55 175.20 1ft4 s ILE 21 N -2.17 4.72 0.51 -3.49 -0.00 -1.26 -1.36 121.20 118.15 1ft4 s ILE 21 Ca 0.35 0.82 -0.20 0.00 -0.00 0.00 0.00 60.65 61.62 1ft4 s ILE 21 Cb -0.07 -3.65 -0.07 0.00 -0.00 0.00 0.00 42.46 38.66 1ft4 s ILE 21 CO 0.25 -0.29 1.07 -2.28 -0.00 0.00 0.00 174.94 173.70 1ft4 s HIS 22 N -2.10 2.87 0.62 1.37 5.65 -0.83 -4.88 115.29 117.98 1ft4 s HIS 22 Ca 0.53 1.56 0.34 0.00 0.25 0.00 0.00 55.06 57.74 1ft4 s HIS 22 Cb -0.10 -3.15 1.96 0.00 -1.18 0.00 0.00 32.58 30.10 1ft4 s HIS 22 CO 0.22 -1.12 2.23 -1.35 -0.65 0.00 0.00 174.74 174.07 1ft4 h PRO 23 N 1.42 0.00 0.00 2.88 0.10 -1.95 -3.40 132.00 131.05 1ft4 h PRO 23 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.60 1ft4 h PRO 23 Cb 1.24 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.34 1ft4 h PRO 23 CO 0.58 0.00 0.00 1.04 0.10 0.00 0.00 178.00 179.72 1ft4 n GLN 24 N -3.53 0.00 -2.43 1.05 3.00 -1.26 -4.88 117.38 109.33 1ft4 n GLN 24 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 1ft4 n GLN 24 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.37 1ft4 n GLN 24 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1ft4 s ASN 25 N -0.38 6.15 0.00 1.08 2.47 -1.26 -4.76 114.94 118.24 1ft4 s ASN 25 Ca 0.00 0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.43 1ft4 s ASN 25 Cb 0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1ft4 s ASN 25 CO 0.00 -1.72 0.45 -3.20 -3.72 0.00 0.00 177.10 168.91 1ft4 n ASN 26 N 9.49 1.14 -2.63 -4.21 5.15 -1.26 0.12 115.26 123.06 1ft4 n ASN 26 Ca 0.11 -1.30 -0.00 0.00 -0.60 0.00 0.00 54.58 52.78 1ft4 n ASN 26 Cb 0.49 -0.33 0.06 0.00 -0.53 0.00 0.00 39.78 39.48 1ft4 n ASN 26 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1ft4 n SER 27 N 0.36 0.76 -4.87 1.20 7.64 -1.26 -4.94 113.62 112.51 1ft4 n SER 27 Ca 0.00 -2.06 -0.37 0.00 1.01 0.00 0.00 58.87 57.45 1ft4 n SER 27 Cb 0.22 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 1ft4 n SER 27 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ft4 s ILE 28 N -2.49 5.41 0.20 0.44 1.01 0.33 -4.97 121.20 121.14 1ft4 s ILE 28 Ca 0.23 0.33 0.11 0.00 0.00 0.00 0.00 60.65 61.32 1ft4 s ILE 28 Cb 0.35 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1ft4 s ILE 28 CO -0.07 0.61 -0.20 0.00 0.00 0.00 0.00 174.94 175.28 1ft4 n THR 31 N 2.22 2.84 -2.94 0.00 -2.24 -1.26 -0.24 114.28 112.67 1ft4 n THR 31 Ca -0.18 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 1ft4 n THR 31 Cb 0.56 -1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 67.60 1ft4 n THR 31 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ft4 s LYS 32 N -3.42 4.24 0.32 -0.78 1.02 -0.14 -4.61 119.74 116.38 1ft4 s LYS 32 Ca 0.74 1.00 -0.29 0.00 0.02 0.00 0.00 55.97 57.44 1ft4 s LYS 32 Cb -0.34 -2.46 -0.11 0.00 -0.52 0.00 0.00 37.83 34.40 1ft4 s LYS 32 CO 0.50 0.14 1.57 0.00 -0.92 0.00 0.00 175.35 176.64 1ft4 s HIS 34 N -0.35 1.57 0.13 0.00 0.09 -1.26 -0.69 115.29 114.77 1ft4 s HIS 34 Ca 0.60 0.74 -0.27 0.00 -0.00 0.00 0.00 55.06 56.13 1ft4 s HIS 34 Cb -0.48 -3.41 -0.07 0.00 -0.00 0.00 0.00 32.58 28.62 1ft4 s HIS 34 CO 0.53 -3.15 0.85 -1.59 -0.00 0.00 0.00 174.74 171.38 1ft4 s LYS 35 N -5.24 4.63 0.00 1.40 -2.85 -1.20 -2.12 119.74 114.37 1ft4 s LYS 35 Ca 0.68 1.27 0.00 0.00 -1.00 0.00 0.00 55.97 56.91 1ft4 s LYS 35 Cb -0.14 -3.33 0.00 0.00 -2.06 0.00 0.00 37.83 32.30 1ft4 s LYS 35 CO 0.56 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.80 1ft4 n GLY 36 N 2.00 1.55 3.10 0.59 0.00 -1.19 -4.76 105.19 106.48 1ft4 n GLY 36 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1ft4 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ft4 s THR 37 N -2.17 0.05 0.43 2.61 -4.23 -0.90 -0.10 115.64 111.32 1ft4 s THR 37 Ca 0.00 -0.45 0.07 0.00 -1.18 0.00 0.00 61.69 60.13 1ft4 s THR 37 Cb 0.00 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 1ft4 s THR 37 CO 0.00 -0.25 0.27 -0.72 -0.54 0.00 0.00 174.62 173.39 1ft4 s TYR 38 N -0.90 2.55 -0.63 3.99 1.13 0.45 -4.37 117.35 119.57 1ft4 s TYR 38 Ca -0.10 -0.58 -0.26 0.00 -1.41 0.00 0.00 57.07 54.73 1ft4 s TYR 38 Cb -0.05 -2.04 -0.11 0.00 -1.10 0.00 0.00 41.96 38.66 1ft4 s TYR 38 CO 0.01 0.01 2.42 -0.11 -2.51 0.00 0.00 175.55 175.38 1ft4 n LEU 39 N -1.40 1.99 0.30 -3.49 7.94 -0.44 -0.98 117.00 120.93 1ft4 n LEU 39 Ca 0.00 -0.88 -0.12 0.00 -1.11 0.00 0.00 56.01 53.90 1ft4 n LEU 39 Cb 0.63 -1.58 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 1ft4 n LEU 39 CO 0.44 -1.97 0.33 0.22 -1.11 0.00 0.00 177.39 175.30 1ft4 h TYR 40 N 16.61 -0.75 -3.32 1.96 3.20 -0.16 -3.44 116.97 131.07 1ft4 h TYR 40 Ca -0.14 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 1ft4 h TYR 40 Cb 1.16 0.25 -0.16 0.00 1.54 0.00 0.00 36.73 39.52 1ft4 h TYR 40 CO 1.05 -0.47 -0.23 1.21 -1.64 0.00 0.00 178.16 178.08 1ft4 s ASN 41 N -4.53 -0.13 1.18 -2.11 3.84 -1.14 -5.01 114.94 107.03 1ft4 s ASN 41 Ca -0.12 -0.21 -0.14 0.00 0.21 0.00 0.00 52.86 52.60 1ft4 s ASN 41 Cb 0.01 0.37 0.28 0.00 -0.55 0.00 0.00 41.25 41.37 1ft4 s ASN 41 CO 0.35 -0.64 1.03 -1.81 -2.79 0.00 0.00 177.10 173.24 1ft4 s ASP 42 N -2.16 0.93 -0.03 -4.21 1.01 -1.26 -1.26 116.67 109.68 1ft4 s ASP 42 Ca -0.04 1.34 -0.13 0.00 0.71 0.00 0.00 52.55 54.42 1ft4 s ASP 42 Cb -0.00 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.81 1ft4 s ASP 42 CO -0.04 -4.21 0.35 0.00 0.21 0.00 0.00 175.17 171.48 1ft4 h PRO 44 N 4.92 0.27 0.00 0.00 0.10 -1.85 -3.47 132.00 131.97 1ft4 h PRO 44 Ca -0.51 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.57 1ft4 h PRO 44 Cb 1.22 -0.06 0.00 0.00 0.10 0.00 0.00 31.00 32.26 1ft4 h PRO 44 CO 0.62 0.18 0.00 0.41 0.10 0.00 0.00 178.00 179.31 1ft4 n GLY 45 N -1.55 2.78 2.20 -0.55 0.00 -1.26 -5.06 105.19 101.75 1ft4 n GLY 45 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1ft4 n GLY 45 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ft4 n PRO 46 N -0.77 0.00 -0.17 1.61 -0.01 -1.26 -2.67 135.00 131.72 1ft4 n PRO 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1ft4 n PRO 46 Cb 0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 33.50 32.11 1ft4 n PRO 46 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ft4 n GLY 47 N 2.26 0.81 3.42 -1.23 0.00 -1.26 -5.10 105.19 104.09 1ft4 n GLY 47 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ft4 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ft4 s GLN 48 N 0.00 1.51 0.74 1.61 1.11 -1.09 -5.12 119.66 118.41 1ft4 s GLN 48 Ca 0.00 -1.34 -0.11 0.00 0.01 0.00 0.00 55.36 53.92 1ft4 s GLN 48 Cb 0.00 -1.94 0.04 0.00 -1.01 0.00 0.00 33.01 30.10 1ft4 s GLN 48 CO 0.00 0.45 1.08 0.16 0.01 0.00 0.00 175.29 176.98 1ft4 s ASP 49 N -2.19 4.88 0.73 5.90 -4.77 -1.26 -4.75 116.67 115.20 1ft4 s ASP 49 Ca 0.16 1.70 -0.14 0.00 -3.30 0.00 0.00 52.55 50.97 1ft4 s ASP 49 Cb -0.10 -2.48 0.04 0.00 -1.09 0.00 0.00 42.92 39.29 1ft4 s ASP 49 CO 0.08 -1.78 1.15 -0.89 0.70 0.00 0.00 175.17 174.43 1ft4 s THR 50 N -2.98 2.75 -0.27 2.11 2.01 -1.26 -4.69 115.64 113.31 1ft4 s THR 50 Ca 0.60 0.33 -0.17 0.00 0.31 0.00 0.00 61.69 62.76 1ft4 s THR 50 Cb -0.16 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1ft4 s THR 50 CO 0.56 -0.23 0.45 -0.62 -0.69 0.00 0.00 174.62 174.09 1ft4 s ASP 51 N -2.47 6.35 -0.17 3.53 3.68 -0.39 -4.98 116.67 122.22 1ft4 s ASP 51 Ca 0.69 0.41 0.00 0.00 2.13 0.00 0.00 52.55 55.79 1ft4 s ASP 51 Cb -0.24 -2.25 0.00 0.00 -1.45 0.00 0.00 42.92 38.99 1ft4 s ASP 51 CO 0.46 -0.24 -0.16 0.00 0.13 0.00 0.00 175.17 175.36 1ft4 s ARG 53 N 1.04 3.31 0.93 0.00 0.52 -0.15 -4.84 118.95 119.76 1ft4 s ARG 53 Ca -0.01 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.40 1ft4 s ARG 53 Cb -0.15 -2.88 0.08 0.00 0.52 0.00 0.00 34.95 32.52 1ft4 s ARG 53 CO -0.04 0.50 0.68 -0.85 0.02 0.00 0.00 175.30 175.62 1ft4 n GLU 54 N -0.58 -0.34 -2.91 3.54 -0.00 -1.26 -0.41 120.64 118.69 1ft4 n GLU 54 Ca -0.07 -0.05 -0.39 0.00 -0.00 0.00 0.00 57.16 56.65 1ft4 n GLU 54 Cb 0.54 -2.05 -0.06 0.00 -0.00 0.00 0.00 31.44 29.87 1ft4 n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ft4 n GLU 56 N 1.45 0.64 -1.93 0.00 4.07 -1.26 -4.90 120.64 118.70 1ft4 n GLU 56 Ca -0.04 0.26 -0.40 0.00 -0.06 0.00 0.00 57.16 56.92 1ft4 n GLU 56 Cb 0.48 -1.98 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 1ft4 n GLU 56 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1ft4 s SER 57 N -1.30 6.24 -0.29 4.31 1.04 -1.26 -2.11 113.70 120.32 1ft4 s SER 57 Ca 0.72 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.97 1ft4 s SER 57 Cb -0.41 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.06 1ft4 s SER 57 CO 0.51 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1ft4 n GLY 58 N 0.62 0.45 3.24 7.32 0.00 -1.26 -5.00 105.19 110.57 1ft4 n GLY 58 Ca 0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1ft4 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ft4 s SER 59 N -2.92 -0.02 0.36 1.61 0.01 -0.90 -1.19 113.70 110.65 1ft4 s SER 59 Ca 0.00 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 56.68 1ft4 s SER 59 Cb 0.00 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.64 1ft4 s SER 59 CO 0.00 -0.74 0.67 0.72 0.41 0.00 0.00 173.24 174.30 1ft4 s PHE 60 N -3.56 0.43 0.09 2.43 -0.71 -0.45 -2.65 117.98 113.55 1ft4 s PHE 60 Ca 0.02 -0.93 -0.12 0.00 -1.04 0.00 0.00 56.93 54.86 1ft4 s PHE 60 Cb 0.03 0.49 0.01 0.00 -1.21 0.00 0.00 43.02 42.34 1ft4 s PHE 60 CO -0.10 -1.38 0.28 0.95 -1.34 0.00 0.00 175.22 173.63 1ft4 s THR 61 N -2.73 0.11 0.00 -4.49 -4.23 -0.12 -0.98 115.64 103.20 1ft4 s THR 61 Ca 0.21 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1ft4 s THR 61 Cb -0.03 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1ft4 s THR 61 CO 0.14 -0.48 0.11 0.00 -0.54 0.00 0.00 174.62 173.85 1ft4 n ALA 62 N 0.07 0.00 -2.37 3.99 0.00 -1.26 -4.31 120.51 116.63 1ft4 n ALA 62 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ft4 n ALA 62 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1ft4 n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ft4 n SER 63 N -0.27 3.01 -4.31 0.00 7.64 -1.26 -4.78 113.62 113.66 1ft4 n SER 63 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1ft4 n SER 63 Cb 0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 64.21 63.01 1ft4 n SER 63 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ft4 n GLU 64 N 0.00 0.00 -4.73 1.43 1.02 -1.26 -3.21 120.64 113.89 1ft4 n GLU 64 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1ft4 n GLU 64 Cb 0.00 -1.13 -0.14 0.00 -0.02 0.00 0.00 31.44 30.15 1ft4 n GLU 64 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ft4 s ASN 65 N 3.17 4.14 -1.05 1.62 2.20 0.13 -4.98 114.94 120.18 1ft4 s ASN 65 Ca 1.28 -0.28 -0.05 0.00 -0.94 0.00 0.00 52.86 52.87 1ft4 s ASN 65 Cb -0.96 -1.56 0.29 0.00 -2.00 0.00 0.00 41.25 37.02 1ft4 s ASN 65 CO 0.52 0.19 1.24 0.00 -2.94 0.00 0.00 177.10 176.11 1ft4 n HIS 66 N 3.39 3.64 -4.17 1.54 -0.00 -1.26 -0.30 115.22 118.05 1ft4 n HIS 66 Ca -0.18 -3.31 -0.22 0.00 -0.00 0.00 0.00 57.72 54.01 1ft4 n HIS 66 Cb 0.53 -1.37 -0.17 0.00 -0.00 0.00 0.00 29.99 28.98 1ft4 n HIS 66 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1ft4 s LEU 67 N -2.10 1.28 0.22 2.39 2.96 -1.26 -4.93 118.68 117.24 1ft4 s LEU 67 Ca 0.31 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1ft4 s LEU 67 Cb -0.01 -0.56 0.33 0.00 0.50 0.00 0.00 46.19 46.44 1ft4 s LEU 67 CO 0.01 -0.06 1.74 0.03 -1.32 0.00 0.00 176.35 176.74 1ft4 h ARG 68 N 7.39 0.39 -5.75 1.98 2.47 -1.95 -1.15 114.38 117.76 1ft4 h ARG 68 Ca -0.33 -0.02 -0.48 0.00 -1.26 0.00 0.00 59.98 57.88 1ft4 h ARG 68 Cb 1.15 -0.09 -0.17 0.00 -1.65 0.00 0.00 29.97 29.21 1ft4 h ARG 68 CO 0.44 0.26 -0.77 -1.01 0.56 0.00 0.00 179.97 179.45 1ft4 s HIS 69 N -6.08 1.72 0.65 3.04 3.76 -1.26 -4.58 115.29 112.54 1ft4 s HIS 69 Ca -0.13 -0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 54.16 1ft4 s HIS 69 Cb 0.18 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 1ft4 s HIS 69 CO 0.75 0.30 1.05 0.00 -0.85 0.00 0.00 174.74 175.99 1ft4 s LEU 71 N -5.26 4.17 0.52 0.00 2.01 -0.15 -4.90 118.68 115.07 1ft4 s LEU 71 Ca 0.56 0.91 -0.22 0.00 0.01 0.00 0.00 54.13 55.39 1ft4 s LEU 71 Cb -0.11 -3.67 -0.06 0.00 0.01 0.00 0.00 46.19 42.36 1ft4 s LEU 71 CO 0.54 -0.07 1.29 -0.94 1.01 0.00 0.00 176.35 178.17 1ft4 s SER 72 N -2.37 5.56 0.68 2.29 1.04 -1.26 -1.35 113.70 118.29 1ft4 s SER 72 Ca 0.47 2.59 -0.06 0.00 0.48 0.00 0.00 55.95 59.44 1ft4 s SER 72 Cb -0.11 -2.62 0.09 0.00 0.10 0.00 0.00 66.02 63.47 1ft4 s SER 72 CO 0.21 -1.36 0.20 0.00 0.98 0.00 0.00 173.24 173.28 1ft4 s SER 74 N -1.55 3.77 -0.17 0.00 0.01 -1.26 -5.00 113.70 109.49 1ft4 s SER 74 Ca 0.16 -0.90 -0.08 0.00 1.31 0.00 0.00 55.95 56.44 1ft4 s SER 74 Cb -0.03 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 1ft4 s SER 74 CO 0.13 0.05 0.09 -0.54 0.41 0.00 0.00 173.24 173.39 1ft4 s LYS 75 N -3.33 3.89 0.32 12.44 1.02 -1.26 -4.72 119.74 128.10 1ft4 s LYS 75 Ca 0.28 -0.27 -0.28 0.00 0.02 0.00 0.00 55.97 55.72 1ft4 s LYS 75 Cb -0.06 -3.25 -0.10 0.00 -0.52 0.00 0.00 37.83 33.90 1ft4 s LYS 75 CO 0.15 0.40 1.20 0.00 -0.92 0.00 0.00 175.35 176.18 1ft4 s ARG 77 N -1.73 3.21 0.34 0.00 3.00 -1.26 -4.77 118.95 117.73 1ft4 s ARG 77 Ca 0.48 -0.36 0.26 0.00 0.00 0.00 0.00 55.73 56.11 1ft4 s ARG 77 Cb -0.35 -4.17 1.15 0.00 0.00 0.00 0.00 34.95 31.58 1ft4 s ARG 77 CO 0.46 -1.97 1.78 1.57 0.00 0.00 0.00 175.30 177.13 1ft4 h LYS 78 N 9.81 0.00 -0.02 3.54 -0.00 -1.93 -1.53 116.57 126.44 1ft4 h LYS 78 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1ft4 h LYS 78 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.29 1ft4 h LYS 78 CO 1.23 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 181.07 1ft4 n GLU 79 N -2.42 0.16 -0.75 0.07 -0.58 -1.26 -2.03 120.64 113.83 1ft4 n GLU 79 Ca 0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.72 1ft4 n GLU 79 Cb 0.19 -1.01 -0.03 0.00 -0.57 0.00 0.00 31.44 30.02 1ft4 n GLU 79 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1ft4 n MET 80 N -0.38 0.00 -1.11 3.49 2.81 -0.58 -5.02 117.12 116.32 1ft4 n MET 80 Ca 0.00 -0.54 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 1ft4 n MET 80 Cb 0.00 0.21 0.00 0.00 -0.71 0.00 0.00 33.22 32.73 1ft4 n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ft4 n GLY 81 N 0.01 1.10 3.96 3.03 0.00 -0.86 -0.03 105.19 112.40 1ft4 n GLY 81 Ca -0.13 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1ft4 n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ft4 s GLN 82 N -2.54 2.49 -0.05 1.61 -0.21 -1.21 -3.89 119.66 115.87 1ft4 s GLN 82 Ca 0.00 -1.59 -0.14 0.00 0.02 0.00 0.00 55.36 53.66 1ft4 s GLN 82 Cb 0.00 -2.49 0.03 0.00 1.00 0.00 0.00 33.01 31.55 1ft4 s GLN 82 CO 0.00 -0.47 0.31 0.14 -2.12 0.00 0.00 175.29 173.15 1ft4 s VAL 83 N -2.55 0.04 -0.26 1.09 -7.23 0.81 -4.71 120.40 107.58 1ft4 s VAL 83 Ca 0.51 -0.34 -0.28 0.00 -1.81 0.00 0.00 61.98 60.06 1ft4 s VAL 83 Cb -0.05 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 1ft4 s VAL 83 CO 0.31 -0.19 2.08 -1.83 -0.31 0.00 0.00 175.10 175.17 1ft4 s GLU 84 N -0.89 3.16 0.19 4.82 -1.05 -1.26 -0.08 118.70 123.60 1ft4 s GLU 84 Ca -0.10 1.81 0.26 0.00 -0.15 0.00 0.00 54.97 56.79 1ft4 s GLU 84 Cb -0.04 -4.32 0.87 0.00 -0.44 0.00 0.00 34.13 30.19 1ft4 s GLU 84 CO 0.03 -2.06 1.79 0.44 0.95 0.00 0.00 175.26 176.40 1ft4 n ILE 85 N 7.66 0.56 -3.72 1.83 -5.35 0.22 -4.87 119.36 115.69 1ft4 n ILE 85 Ca 0.28 -0.20 -0.12 0.00 -0.27 0.00 0.00 62.75 62.43 1ft4 n ILE 85 Cb 0.46 -0.63 -0.07 0.00 -1.74 0.00 0.00 39.64 37.66 1ft4 n ILE 85 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ft4 s SER 86 N -4.32 -0.20 0.45 7.28 0.15 -0.93 -5.00 113.70 111.12 1ft4 s SER 86 Ca 0.10 -0.06 -0.24 0.00 0.70 0.00 0.00 55.95 56.45 1ft4 s SER 86 Cb 0.13 0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 1ft4 s SER 86 CO 0.57 -0.60 1.17 -1.54 1.20 0.00 0.00 173.24 174.04 1ft4 n SER 87 N 0.69 2.00 -4.70 5.45 3.41 -1.26 -2.70 113.62 116.51 1ft4 n SER 87 Ca -0.19 1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 59.05 1ft4 n SER 87 Cb 0.59 -1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.06 1ft4 n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ft4 s THR 89 N 1.47 -0.72 0.00 0.00 2.01 -0.99 -4.78 115.64 112.63 1ft4 s THR 89 Ca 0.51 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1ft4 s THR 89 Cb -0.20 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1ft4 s THR 89 CO 0.24 -0.01 0.00 1.33 -0.69 0.00 0.00 174.62 175.49 1ft4 n VAL 90 N 5.39 0.00 -0.57 3.82 0.24 -1.08 -1.12 118.33 125.01 1ft4 n VAL 90 Ca -0.06 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.31 1ft4 n VAL 90 Cb 0.50 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 33.06 1ft4 n VAL 90 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ft4 n ASP 91 N 0.00 3.28 -3.58 -1.34 5.75 -1.26 -0.94 116.55 118.45 1ft4 n ASP 91 Ca 0.00 -2.51 -0.16 0.00 -0.01 0.00 0.00 54.79 52.11 1ft4 n ASP 91 Cb 0.00 -0.37 -0.07 0.00 -1.03 0.00 0.00 41.12 39.66 1ft4 n ASP 91 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1ft4 s ARG 92 N -1.91 0.93 0.76 0.11 3.52 -0.27 -4.90 118.95 117.19 1ft4 s ARG 92 Ca 0.31 0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 56.25 1ft4 s ARG 92 Cb 0.22 0.44 0.05 0.00 -1.56 0.00 0.00 34.95 34.10 1ft4 s ARG 92 CO 0.11 -0.23 1.09 0.34 -0.81 0.00 0.00 175.30 175.80 1ft4 s ASP 93 N -0.66 4.82 -0.24 -2.12 -1.08 -1.26 -2.35 116.67 113.78 1ft4 s ASP 93 Ca -0.07 1.33 -0.38 0.00 -0.52 0.00 0.00 52.55 52.90 1ft4 s ASP 93 Cb -0.02 -2.10 -0.14 0.00 -1.46 0.00 0.00 42.92 39.20 1ft4 s ASP 93 CO 0.06 -1.76 1.85 0.41 0.52 0.00 0.00 175.17 176.25 1ft4 n THR 94 N -3.30 0.37 -4.08 1.71 -1.04 -1.26 -4.43 114.28 102.24 1ft4 n THR 94 Ca 0.07 -0.09 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 1ft4 n THR 94 Cb 0.56 -1.46 -0.07 0.00 -1.82 0.00 0.00 70.33 67.55 1ft4 n THR 94 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ft4 s VAL 95 N 4.23 4.69 0.00 12.58 0.11 -1.10 -4.79 120.40 136.12 1ft4 s VAL 95 Ca 0.99 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 1ft4 s VAL 95 Cb -0.94 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 1ft4 s VAL 95 CO 0.60 0.28 0.00 0.00 -3.33 0.00 0.00 175.10 172.65 1ft4 n GLY 97 N 5.00 -1.51 3.83 0.00 0.00 0.89 -4.31 105.19 109.08 1ft4 n GLY 97 Ca 0.00 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 1ft4 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ft4 s ARG 99 N -1.88 2.15 -0.07 0.00 0.52 -1.25 -4.63 118.95 113.78 1ft4 s ARG 99 Ca 0.39 1.95 -0.30 0.00 -0.52 0.00 0.00 55.73 57.26 1ft4 s ARG 99 Cb -0.16 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 1ft4 s ARG 99 CO 0.20 -1.88 1.40 0.21 0.02 0.00 0.00 175.30 175.25 1ft4 s LYS 100 N -3.69 4.25 -0.16 3.54 2.36 -1.26 0.10 119.74 124.88 1ft4 s LYS 100 Ca 0.79 1.89 0.00 0.00 -2.55 0.00 0.00 55.97 56.11 1ft4 s LYS 100 Cb -0.34 -3.74 0.02 0.00 -1.05 0.00 0.00 37.83 32.72 1ft4 s LYS 100 CO 0.44 -0.67 -0.15 1.21 1.55 0.00 0.00 175.35 177.73 1ft4 s ASN 101 N 2.24 2.80 0.25 1.43 2.47 -1.26 -5.15 114.94 117.72 1ft4 s ASN 101 Ca 0.62 -0.53 0.07 0.00 0.42 0.00 0.00 52.86 53.44 1ft4 s ASN 101 Cb -0.28 -1.25 -0.04 0.00 -1.45 0.00 0.00 41.25 38.24 1ft4 s ASN 101 CO 0.23 -0.05 0.20 -1.10 -3.72 0.00 0.00 177.10 172.66 1ft4 s GLN 102 N 1.44 2.95 0.24 0.43 -0.21 0.12 -3.34 119.66 121.29 1ft4 s GLN 102 Ca 0.05 -1.03 0.02 0.00 0.02 0.00 0.00 55.36 54.41 1ft4 s GLN 102 Cb -0.13 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.26 1ft4 s GLN 102 CO -0.11 0.41 0.41 1.52 -2.12 0.00 0.00 175.29 175.40 1ft4 s TYR 103 N -2.11 3.48 -0.17 0.91 1.13 0.42 -4.37 117.35 116.64 1ft4 s TYR 103 Ca 0.33 0.22 -0.05 0.00 -1.41 0.00 0.00 57.07 56.15 1ft4 s TYR 103 Cb -0.08 -1.76 -0.03 0.00 -1.10 0.00 0.00 41.96 38.99 1ft4 s TYR 103 CO 0.25 0.35 0.00 1.03 -2.51 0.00 0.00 175.55 174.67 1ft4 s ARG 104 N -3.75 3.79 -0.35 -3.49 0.52 -0.89 -2.74 118.95 112.04 1ft4 s ARG 104 Ca 0.37 -0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1ft4 s ARG 104 Cb -0.10 -3.04 0.07 0.00 0.52 0.00 0.00 34.95 32.40 1ft4 s ARG 104 CO 0.31 0.25 0.09 -1.58 0.02 0.00 0.00 175.30 174.39 1ft4 s HIS 105 N 0.38 3.41 -1.02 -0.53 2.46 -0.18 -4.76 115.29 115.05 1ft4 s HIS 105 Ca -0.01 -2.07 -0.27 0.00 0.47 0.00 0.00 55.06 53.18 1ft4 s HIS 105 Cb -0.13 -2.59 -0.20 0.00 -0.13 0.00 0.00 32.58 29.52 1ft4 s HIS 105 CO 0.02 -0.87 2.18 0.71 -2.47 0.00 0.00 174.74 174.31 1ft4 s TYR 106 N 1.21 1.21 -1.15 3.88 1.51 -1.26 0.56 117.35 123.31 1ft4 s TYR 106 Ca 0.01 2.23 -0.22 0.00 -1.01 0.00 0.00 57.07 58.08 1ft4 s TYR 106 Cb -0.21 -3.35 -0.08 0.00 -0.11 0.00 0.00 41.96 38.21 1ft4 s TYR 106 CO -0.02 -0.88 1.91 1.87 -1.11 0.00 0.00 175.55 177.33 1ft4 n TRP 107 N 19.44 2.86 -2.17 2.71 -0.00 -0.44 -3.49 117.44 136.36 1ft4 n TRP 107 Ca 0.43 -1.69 -0.01 0.00 -0.00 0.00 0.00 57.50 56.23 1ft4 n TRP 107 Cb 0.46 -2.51 0.01 0.00 -0.00 0.00 0.00 31.31 29.27 1ft4 n TRP 107 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1ft4 n SER 108 N 12.73 -2.04 0.00 5.87 7.64 -1.20 -3.36 113.62 133.27 1ft4 n SER 108 Ca 0.46 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1ft4 n SER 108 Cb 0.46 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1ft4 n SER 108 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ft4 n GLU 109 N -1.18 -0.42 0.00 1.43 -0.58 -1.23 -3.12 120.64 115.55 1ft4 n GLU 109 Ca -0.02 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1ft4 n GLU 109 Cb 0.51 -4.57 0.00 0.00 -0.57 0.00 0.00 31.44 26.81 1ft4 n GLU 109 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ft4 n ASN 110 N -0.20 0.00 -4.85 1.62 3.02 -1.26 -4.99 115.26 108.60 1ft4 n ASN 110 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1ft4 n ASN 110 Cb 0.10 0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 1ft4 n ASN 110 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ft4 s LEU 111 N -3.20 4.36 -0.02 3.41 1.02 -1.18 -5.04 118.68 118.02 1ft4 s LEU 111 Ca 0.00 1.04 -0.30 0.00 0.02 0.00 0.00 54.13 54.89 1ft4 s LEU 111 Cb 0.00 -3.16 0.07 0.00 0.02 0.00 0.00 46.19 43.12 1ft4 s LEU 111 CO 0.00 0.14 0.69 0.72 0.02 0.00 0.00 176.35 177.92 1ft4 s PHE 112 N -1.41 -0.61 0.31 0.29 -0.71 -1.26 -1.32 117.98 113.26 1ft4 s PHE 112 Ca 0.36 0.95 0.10 0.00 -1.04 0.00 0.00 56.93 57.30 1ft4 s PHE 112 Cb -0.15 0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 42.04 1ft4 s PHE 112 CO 0.19 -0.63 -0.11 -0.65 -1.34 0.00 0.00 175.22 172.68 1ft4 s GLN 113 N -1.62 1.87 -0.14 1.99 -0.21 0.19 -4.81 119.66 116.93 1ft4 s GLN 113 Ca -0.08 -1.77 -0.01 0.00 0.02 0.00 0.00 55.36 53.52 1ft4 s GLN 113 Cb -0.00 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 32.16 1ft4 s GLN 113 CO 0.05 0.25 -0.11 0.00 -2.12 0.00 0.00 175.29 173.37 1ft4 s PHE 115 N 0.37 0.48 0.34 0.00 0.40 -1.11 -4.90 117.98 113.57 1ft4 s PHE 115 Ca -0.09 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1ft4 s PHE 115 Cb -0.15 -0.30 -0.03 0.00 0.51 0.00 0.00 43.02 43.04 1ft4 s PHE 115 CO 0.05 -0.12 0.54 1.21 0.70 0.00 0.00 175.22 177.60 1ft4 s ASN 116 N -1.46 6.30 0.81 1.36 3.84 -1.26 -0.44 114.94 124.08 1ft4 s ASN 116 Ca -0.12 0.44 -0.13 0.00 0.21 0.00 0.00 52.86 53.26 1ft4 s ASN 116 Cb -0.10 -2.03 0.08 0.00 -0.55 0.00 0.00 41.25 38.66 1ft4 s ASN 116 CO -0.00 -0.28 1.20 0.00 -2.79 0.00 0.00 177.10 175.23 1ft4 s SER 118 N -2.17 6.61 0.12 0.00 0.01 -1.26 -4.96 113.70 112.05 1ft4 s SER 118 Ca 0.73 0.75 -0.31 0.00 1.31 0.00 0.00 55.95 58.43 1ft4 s SER 118 Cb -0.29 -2.33 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 1ft4 s SER 118 CO 0.51 -0.28 1.84 -0.76 0.41 0.00 0.00 173.24 174.96 1ft4 s LEU 119 N 2.02 4.40 -0.50 2.44 1.43 -1.26 -4.36 118.68 122.85 1ft4 s LEU 119 Ca 0.26 2.76 -0.32 0.00 -1.03 0.00 0.00 54.13 55.81 1ft4 s LEU 119 Cb -0.16 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.38 1ft4 s LEU 119 CO 0.10 -1.01 2.35 0.00 0.23 0.00 0.00 176.35 178.01 1ft4 s LEU 121 N 8.94 4.57 0.00 0.00 1.02 -1.26 -3.25 118.68 128.69 1ft4 s LEU 121 Ca 1.11 1.94 0.00 0.00 0.02 0.00 0.00 54.13 57.21 1ft4 s LEU 121 Cb -0.74 -3.71 0.00 0.00 0.02 0.00 0.00 46.19 41.76 1ft4 s LEU 121 CO 0.43 0.08 0.00 0.59 0.02 0.00 0.00 176.35 177.47 1ft4 n ASN 122 N 1.24 0.00 0.00 2.29 3.02 -1.26 -4.63 115.26 115.91 1ft4 n ASN 122 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1ft4 n ASN 122 Cb 0.48 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1ft4 n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ft4 n GLY 123 N -2.00 -0.51 3.59 7.41 0.00 -1.20 -1.15 105.19 111.33 1ft4 n GLY 123 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1ft4 n GLY 123 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ft4 s THR 124 N 0.00 2.75 -0.19 2.61 -1.32 0.31 -4.73 115.64 115.09 1ft4 s THR 124 Ca 0.00 -2.09 -0.29 0.00 -1.21 0.00 0.00 61.69 58.10 1ft4 s THR 124 Cb 0.00 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.29 1ft4 s THR 124 CO 0.00 -0.29 1.64 0.54 -2.21 0.00 0.00 174.62 174.30 1ft4 s VAL 125 N -2.48 3.66 0.00 5.08 0.11 -1.26 -0.25 120.40 125.25 1ft4 s VAL 125 Ca 0.33 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 1ft4 s VAL 125 Cb -0.03 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1ft4 s VAL 125 CO 0.18 -0.23 0.00 1.57 -3.33 0.00 0.00 175.10 173.29 1ft4 n HIS 126 N 8.27 0.00 -3.24 1.54 -0.00 0.36 -4.91 115.22 117.24 1ft4 n HIS 126 Ca 0.19 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.50 1ft4 n HIS 126 Cb 0.45 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.34 1ft4 n HIS 126 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ft4 s LEU 127 N -2.84 4.25 0.78 0.27 1.43 0.06 -4.90 118.68 117.73 1ft4 s LEU 127 Ca 0.00 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 1ft4 s LEU 127 Cb 0.00 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 1ft4 s LEU 127 CO 0.00 -0.43 0.30 -1.20 0.23 0.00 0.00 176.35 175.25 1ft4 n SER 128 N 5.70 -2.11 -4.79 2.29 7.64 -1.26 -0.89 113.62 120.19 1ft4 n SER 128 Ca -0.04 0.50 -0.25 0.00 1.01 0.00 0.00 58.87 60.09 1ft4 n SER 128 Cb 0.49 -1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 1ft4 n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ft4 s GLN 130 N -3.35 1.13 0.03 0.00 1.03 -0.11 -4.91 119.66 113.49 1ft4 s GLN 130 Ca 0.31 -0.58 -0.01 0.00 0.04 0.00 0.00 55.36 55.12 1ft4 s GLN 130 Cb -0.09 0.41 0.05 0.00 0.03 0.00 0.00 33.01 33.42 1ft4 s GLN 130 CO 0.23 -0.51 0.20 -1.91 -2.54 0.00 0.00 175.29 170.76 1ft4 n GLU 131 N -0.41 -0.01 -0.00 9.60 2.13 -1.26 0.14 120.64 130.82 1ft4 n GLU 131 Ca -0.07 0.20 -0.05 0.00 0.66 0.00 0.00 57.16 57.90 1ft4 n GLU 131 Cb 0.61 -0.29 -0.04 0.00 0.27 0.00 0.00 31.44 31.99 1ft4 n GLU 131 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1ft4 h LYS 132 N 0.00 -0.11 -5.55 5.31 1.57 -1.90 -2.94 116.57 112.94 1ft4 h LYS 132 Ca 0.06 0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 58.39 1ft4 h LYS 132 Cb 0.09 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 32.28 1ft4 h LYS 132 CO -0.13 0.13 -0.73 1.14 -0.57 0.00 0.00 179.45 179.30 1ft4 s GLN 133 N -2.16 1.35 1.04 3.15 -2.07 0.12 -2.09 119.66 119.00 1ft4 s GLN 133 Ca -0.06 -1.61 -0.16 0.00 -1.82 0.00 0.00 55.36 51.71 1ft4 s GLN 133 Cb -0.00 -1.12 0.22 0.00 -1.09 0.00 0.00 33.01 31.01 1ft4 s GLN 133 CO 0.21 0.17 1.18 1.21 -1.32 0.00 0.00 175.29 176.74 1ft4 s ASN 134 N -3.33 2.37 0.66 12.60 2.47 -1.26 -0.93 114.94 127.51 1ft4 s ASN 134 Ca 0.23 0.63 -0.16 0.00 0.42 0.00 0.00 52.86 53.98 1ft4 s ASN 134 Cb -0.00 -0.93 -0.00 0.00 -1.45 0.00 0.00 41.25 38.87 1ft4 s ASN 134 CO 0.07 -3.23 1.17 -0.89 -3.72 0.00 0.00 177.10 170.50 1ft4 s THR 135 N -3.35 2.76 -0.04 -5.21 2.01 -1.26 -4.49 115.64 106.07 1ft4 s THR 135 Ca 0.70 0.40 0.05 0.00 0.31 0.00 0.00 61.69 63.15 1ft4 s THR 135 Cb -0.10 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1ft4 s THR 135 CO 0.54 -0.17 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.44 1ft4 s VAL 136 N -1.98 2.82 0.51 3.82 1.01 -0.07 -4.81 120.40 121.70 1ft4 s VAL 136 Ca 0.73 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1ft4 s VAL 136 Cb -0.26 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1ft4 s VAL 136 CO 0.39 0.58 0.00 0.00 0.00 0.00 0.00 175.10 176.07 1ft4 s THR 138 N -2.87 0.30 -0.10 0.00 2.01 0.65 -4.78 115.64 110.85 1ft4 s THR 138 Ca 0.07 -0.01 -0.37 0.00 0.31 0.00 0.00 61.69 61.69 1ft4 s THR 138 Cb 0.02 -0.36 -0.15 0.00 0.01 0.00 0.00 72.50 72.02 1ft4 s THR 138 CO 0.03 0.16 1.67 0.00 -0.69 0.00 0.00 174.62 175.80 1ft4 n HIS 140 N 4.86 0.43 0.00 0.00 -0.00 -0.30 -3.90 115.22 116.31 1ft4 n HIS 140 Ca 0.23 -1.57 0.00 0.00 0.46 0.00 0.00 57.72 56.84 1ft4 n HIS 140 Cb 0.21 -1.40 0.00 0.00 -0.12 0.00 0.00 29.99 28.67 1ft4 n HIS 140 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ft4 n ALA 141 N 1.93 0.00 -1.92 1.57 0.00 -1.26 -5.06 120.51 115.77 1ft4 n ALA 141 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 1ft4 n ALA 141 Cb 0.78 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.18 1ft4 n ALA 141 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ft4 s GLY 142 N 0.00 -0.04 0.00 0.00 0.00 -1.25 -4.90 107.32 101.13 1ft4 s GLY 142 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1ft4 s GLY 142 CO 0.00 3.66 0.00 0.33 0.00 0.00 0.00 173.10 177.09 1ft4 n PHE 143 N 14.52 0.00 -2.93 1.90 -0.00 -1.26 -5.10 117.46 124.58 1ft4 n PHE 143 Ca 0.34 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.65 1ft4 n PHE 143 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.98 1ft4 n PHE 143 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.76 178.73 1ft4 n PHE 144 N 0.00 -1.92 -2.37 -5.13 1.16 -1.26 -5.02 117.46 102.92 1ft4 n PHE 144 Ca 0.00 -2.63 -0.09 0.00 -1.87 0.00 0.00 57.45 52.85 1ft4 n PHE 144 Cb 0.00 0.76 0.01 0.00 -1.61 0.00 0.00 39.48 38.63 1ft4 n PHE 144 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1ft4 n LEU 145 N 1.13 -0.62 -4.56 5.98 7.94 -1.26 -4.85 117.00 120.76 1ft4 n LEU 145 Ca 0.14 -0.18 -0.41 0.00 -1.11 0.00 0.00 56.01 54.45 1ft4 n LEU 145 Cb 0.62 -0.47 -0.03 0.00 0.53 0.00 0.00 43.42 44.07 1ft4 n LEU 145 CO 0.10 0.07 1.16 -0.13 -1.11 0.00 0.00 177.39 177.49 1ft4 s ARG 146 N -1.91 3.23 0.00 1.96 0.52 -1.25 -4.66 118.95 116.85 1ft4 s ARG 146 Ca 0.05 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 1ft4 s ARG 146 Cb -0.01 -4.16 0.00 0.00 0.52 0.00 0.00 34.95 31.31 1ft4 s ARG 146 CO 0.26 -2.08 0.00 0.39 0.02 0.00 0.00 175.30 173.89 1ft4 n GLU 147 N 9.22 0.00 -2.74 3.54 1.02 -1.26 -3.30 120.64 127.12 1ft4 n GLU 147 Ca 0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 1ft4 n GLU 147 Cb 0.49 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.97 1ft4 n GLU 147 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ft4 n ASN 148 N 1.37 -2.63 0.00 1.62 5.15 -1.26 -5.10 115.26 114.42 1ft4 n ASN 148 Ca 0.00 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 1ft4 n ASN 148 Cb 0.00 1.68 0.00 0.00 -0.53 0.00 0.00 39.78 40.93 1ft4 n ASN 148 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ft4 n GLU 149 N 1.53 0.00 0.00 1.20 2.13 -1.21 -5.18 120.64 119.11 1ft4 n GLU 149 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1ft4 n GLU 149 Cb 0.65 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.36 1ft4 n GLU 149 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72