#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s s ASN 14 N 0.00 7.17 0.00 4.52 0.01 -1.26 -5.06 114.94 120.32 1n9s s ASN 14 Ca 0.00 1.42 0.00 0.00 -0.71 0.00 0.00 52.86 53.57 1n9s s ASN 14 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1n9s s ASN 14 CO 0.00 -0.33 0.00 -0.81 -1.51 0.00 0.00 177.10 174.45 1n9s n PRO 15 N 4.53 1.03 -3.66 -0.60 -0.05 -1.26 -5.18 135.00 129.82 1n9s n PRO 15 Ca 0.05 0.00 -0.11 0.00 -0.05 0.00 0.00 63.50 63.39 1n9s n PRO 15 Cb 0.50 0.00 -0.11 0.00 -0.05 0.00 0.00 33.50 33.84 1n9s n PRO 15 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 175.50 175.60 1n9s s LYS 16 N -0.19 0.25 -0.31 0.54 1.02 -1.26 -5.13 119.74 114.66 1n9s s LYS 16 Ca 0.00 0.89 -0.11 0.00 0.02 0.00 0.00 55.97 56.77 1n9s s LYS 16 Cb 0.00 0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 1n9s s LYS 16 CO 0.00 -0.26 0.18 -1.25 -0.92 0.00 0.00 175.35 173.10 1n9s s PRO 17 N 2.44 3.52 0.16 -1.68 0.04 -1.26 -4.93 135.00 133.28 1n9s s PRO 17 Ca -0.01 -0.61 -0.11 0.00 0.04 0.00 0.00 61.00 60.31 1n9s s PRO 17 Cb -0.12 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 30.80 1n9s s PRO 17 CO -0.11 -0.37 1.60 0.35 0.04 0.00 0.00 177.00 178.51 1n9s h PHE 18 N 8.39 1.04 0.14 0.56 3.57 -1.97 -3.29 116.94 125.38 1n9s h PHE 18 Ca -0.33 -0.20 -0.31 0.00 3.53 0.00 0.00 57.97 60.67 1n9s h PHE 18 Cb 1.16 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1n9s h PHE 18 CO 0.67 0.97 -1.47 -0.07 -2.23 0.00 0.00 178.31 176.18 1n9s h LEU 19 N 0.81 0.47 0.00 0.59 3.38 -1.94 -3.40 115.31 115.22 1n9s h LEU 19 Ca 0.14 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1n9s h LEU 19 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1n9s h LEU 19 CO 0.04 1.49 0.00 1.17 0.09 0.00 0.00 178.44 181.22 1n9s n LYS 20 N -3.52 0.00 0.00 1.13 4.81 -1.24 -1.48 118.16 117.86 1n9s n LYS 20 Ca -0.15 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.35 1n9s n LYS 20 Cb 1.05 0.00 0.33 0.00 0.02 0.00 0.00 35.03 36.43 1n9s n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n9s n GLY 21 N -0.41 -0.60 0.00 3.14 0.00 -1.26 -2.58 105.19 103.47 1n9s n GLY 21 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1n9s n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n9s n LEU 22 N -1.20 1.68 -4.67 0.99 4.77 -0.55 -4.99 117.00 113.03 1n9s n LEU 22 Ca 0.07 -1.68 -0.38 0.00 -0.03 0.00 0.00 56.01 53.99 1n9s n LEU 22 Cb 0.08 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1n9s n LEU 22 CO 0.09 0.42 0.74 0.52 -1.33 0.00 0.00 177.39 177.83 1n9s n VAL 23 N -0.37 3.76 -2.02 4.08 0.31 -1.07 -1.85 118.33 121.17 1n9s n VAL 23 Ca 0.00 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.74 1n9s n VAL 23 Cb 0.21 -1.37 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 1n9s n VAL 23 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1n9s n ASN 24 N -0.84 -2.86 -4.67 4.52 3.02 -0.22 -4.94 115.26 109.28 1n9s n ASN 24 Ca 0.12 0.26 -0.28 0.00 -0.03 0.00 0.00 54.58 54.65 1n9s n ASN 24 Cb 0.45 -2.59 -0.08 0.00 -0.61 0.00 0.00 39.78 36.96 1n9s n ASN 24 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1n9s s HIS 25 N -2.20 2.90 -0.24 3.10 3.76 -0.77 -4.90 115.29 116.94 1n9s s HIS 25 Ca 0.00 -0.10 -0.28 0.00 -0.15 0.00 0.00 55.06 54.53 1n9s s HIS 25 Cb 0.00 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.25 1n9s s HIS 25 CO 0.00 0.49 1.00 0.50 -0.85 0.00 0.00 174.74 175.88 1n9s s ARG 26 N -2.64 4.23 0.36 1.40 3.52 -1.26 -1.45 118.95 123.11 1n9s s ARG 26 Ca 0.26 1.24 0.07 0.00 -0.13 0.00 0.00 55.73 57.17 1n9s s ARG 26 Cb -0.10 -3.65 -0.07 0.00 -1.56 0.00 0.00 34.95 29.57 1n9s s ARG 26 CO 0.18 -0.63 -0.00 0.14 -0.81 0.00 0.00 175.30 174.18 1n9s s VAL 27 N 3.16 1.79 -0.17 7.11 -7.23 0.98 -1.51 120.40 124.54 1n9s s VAL 27 Ca 0.42 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1n9s s VAL 27 Cb -0.15 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 33.98 1n9s s VAL 27 CO 0.07 -0.07 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.79 1n9s s GLY 28 N -3.60 1.44 -0.33 2.32 0.00 0.03 -1.72 107.32 105.45 1n9s s GLY 28 Ca 0.34 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 43.85 1n9s s GLY 28 CO 0.16 0.14 0.13 0.14 0.00 0.00 0.00 173.10 173.68 1n9s s VAL 29 N 1.04 4.23 -0.21 1.40 1.01 0.11 -1.52 120.40 126.46 1n9s s VAL 29 Ca -0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1n9s s VAL 29 Cb -0.15 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1n9s s VAL 29 CO -0.05 -0.06 0.12 -0.75 0.00 0.00 0.00 175.10 174.37 1n9s s LYS 30 N 1.52 4.09 0.54 2.72 2.47 -0.45 0.07 119.74 130.70 1n9s s LYS 30 Ca 0.02 -0.27 -0.06 0.00 -1.56 0.00 0.00 55.97 54.10 1n9s s LYS 30 Cb -0.18 -3.39 -0.02 0.00 -1.46 0.00 0.00 37.83 32.78 1n9s s LYS 30 CO 0.04 0.22 0.86 -0.51 0.16 0.00 0.00 175.35 176.12 1n9s s LEU 31 N 0.57 3.42 0.22 5.43 1.43 -1.11 0.83 118.68 129.48 1n9s s LEU 31 Ca 0.07 0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 53.96 1n9s s LEU 31 Cb -0.12 -3.80 0.19 0.00 0.03 0.00 0.00 46.19 42.50 1n9s s LEU 31 CO 0.00 -0.81 1.90 0.11 0.23 0.00 0.00 176.35 177.78 1n9s h LYS 32 N 0.00 1.09 -5.66 1.70 1.57 -1.51 -3.40 116.57 110.36 1n9s h LYS 32 Ca -0.46 -0.07 -0.66 0.00 -1.87 0.00 0.00 60.65 57.59 1n9s h LYS 32 Cb 1.22 -0.25 -0.23 0.00 0.08 0.00 0.00 32.23 33.06 1n9s h LYS 32 CO 0.61 0.72 -0.72 -0.59 -0.57 0.00 0.00 179.45 178.91 1n9s s PHE 33 N -6.13 2.89 0.00 -1.35 -0.12 -1.26 -4.99 117.98 107.03 1n9s s PHE 33 Ca -0.13 -0.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.45 1n9s s PHE 33 Cb 0.16 -1.81 0.00 0.00 -0.63 0.00 0.00 43.02 40.74 1n9s s PHE 33 CO 0.79 0.04 0.00 0.27 -0.05 0.00 0.00 175.22 176.27 1n9s n ASN 34 N 3.02 -1.61 -2.39 1.98 6.94 -1.26 -4.13 115.26 117.80 1n9s n ASN 34 Ca -0.18 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.05 1n9s n ASN 34 Cb 0.53 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 38.00 1n9s n ASN 34 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1n9s n SER 35 N -0.95 6.95 -4.89 0.53 2.88 -1.26 -4.92 113.62 111.97 1n9s n SER 35 Ca 0.00 -3.79 -0.32 0.00 -1.33 0.00 0.00 58.87 53.43 1n9s n SER 35 Cb 0.00 -0.84 -0.05 0.00 -0.75 0.00 0.00 64.21 62.57 1n9s n SER 35 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n9s s THR 36 N -4.88 5.08 -0.06 2.46 2.01 -1.26 -0.38 115.64 118.60 1n9s s THR 36 Ca 0.59 0.24 -0.05 0.00 0.31 0.00 0.00 61.69 62.78 1n9s s THR 36 Cb 0.47 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 69.38 1n9s s THR 36 CO -0.09 0.04 0.16 -0.70 -0.69 0.00 0.00 174.62 173.34 1n9s s GLU 37 N -2.60 0.16 -0.33 4.92 2.12 0.14 -2.73 118.70 120.38 1n9s s GLU 37 Ca 0.42 0.28 -0.07 0.00 0.36 0.00 0.00 54.97 55.96 1n9s s GLU 37 Cb -0.12 0.00 0.03 0.00 0.26 0.00 0.00 34.13 34.30 1n9s s GLU 37 CO 0.23 -0.07 0.11 0.71 -0.54 0.00 0.00 175.26 175.70 1n9s s TYR 38 N 0.46 3.23 0.16 5.30 4.12 0.11 0.34 117.35 131.06 1n9s s TYR 38 Ca -0.03 -1.26 0.05 0.00 0.02 0.00 0.00 57.07 55.84 1n9s s TYR 38 Cb -0.05 -2.29 -0.04 0.00 -1.52 0.00 0.00 41.96 38.07 1n9s s TYR 38 CO -0.02 -0.68 0.13 1.03 0.02 0.00 0.00 175.55 176.02 1n9s s ARG 39 N 1.44 2.89 0.00 -0.62 0.52 -0.95 0.07 118.95 122.30 1n9s s ARG 39 Ca -0.00 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1n9s s ARG 39 Cb -0.19 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1n9s s ARG 39 CO 0.03 0.49 0.00 0.41 0.02 0.00 0.00 175.30 176.25 1n9s n GLY 40 N -0.27 -0.63 3.67 -3.53 0.00 -0.70 -0.66 105.19 103.08 1n9s n GLY 40 Ca -0.08 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 1n9s n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9s s THR 41 N -3.00 4.95 -1.03 2.61 2.01 0.17 -0.01 115.64 121.33 1n9s s THR 41 Ca 0.00 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 1n9s s THR 41 Cb 0.00 -3.23 0.07 0.00 0.01 0.00 0.00 72.50 69.35 1n9s s THR 41 CO 0.00 0.47 1.42 -0.22 -0.69 0.00 0.00 174.62 175.60 1n9s s LEU 42 N 0.23 3.83 0.07 4.42 2.96 -0.53 0.17 118.68 129.83 1n9s s LEU 42 Ca 0.05 -1.67 -0.30 0.00 -0.22 0.00 0.00 54.13 52.00 1n9s s LEU 42 Cb -0.12 -2.54 -0.18 0.00 0.50 0.00 0.00 46.19 43.86 1n9s s LEU 42 CO -0.00 -1.39 1.64 0.58 -1.32 0.00 0.00 176.35 175.86 1n9s h VAL 43 N 6.49 0.55 -3.16 1.68 2.07 -1.68 -0.57 116.25 121.63 1n9s h VAL 43 Ca 0.22 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.54 1n9s h VAL 43 Cb 1.00 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1n9s h VAL 43 CO 1.37 0.01 -0.08 -1.54 0.02 0.00 0.00 177.57 177.34 1n9s n SER 44 N -5.35 -0.78 0.00 0.57 3.41 -1.20 -4.51 113.62 105.77 1n9s n SER 44 Ca -0.12 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 1n9s n SER 44 Cb 0.27 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 1n9s n SER 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1n9s n THR 45 N -0.33 0.00 -2.67 6.66 -1.04 -1.26 -2.83 114.28 112.81 1n9s n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1n9s n THR 45 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1n9s n THR 45 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1n9s n ASP 46 N 0.00 1.32 -0.71 8.00 5.75 -1.16 -4.85 116.55 124.90 1n9s n ASP 46 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.89 1n9s n ASP 46 Cb 0.00 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.41 1n9s n ASP 46 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1n9s n ASN 47 N 0.00 2.14 -1.13 -1.12 3.02 -1.26 -3.06 115.26 113.84 1n9s n ASN 47 Ca 0.00 -1.80 0.11 0.00 -0.03 0.00 0.00 54.58 52.86 1n9s n ASN 47 Cb 0.00 -0.15 0.25 0.00 -0.61 0.00 0.00 39.78 39.27 1n9s n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n9s n TYR 48 N 0.64 0.68 -3.09 3.10 4.02 -1.26 -4.94 117.16 116.31 1n9s n TYR 48 Ca 0.17 -0.39 -0.20 0.00 -0.01 0.00 0.00 57.90 57.46 1n9s n TYR 48 Cb 0.40 -0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.76 1n9s n TYR 48 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1n9s n PHE 49 N 1.37 -1.99 -4.00 -0.72 3.01 -1.17 -4.49 117.46 109.46 1n9s n PHE 49 Ca 0.20 0.60 -0.34 0.00 1.01 0.00 0.00 57.45 58.91 1n9s n PHE 49 Cb 0.57 -4.26 -0.06 0.00 -0.01 0.00 0.00 39.48 35.72 1n9s n PHE 49 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1n9s s ASN 50 N -2.91 6.05 -0.08 4.37 0.01 -1.26 -3.21 114.94 117.92 1n9s s ASN 50 Ca 0.35 0.29 -0.05 0.00 -0.71 0.00 0.00 52.86 52.73 1n9s s ASN 50 Cb -0.15 -1.85 0.03 0.00 0.41 0.00 0.00 41.25 39.69 1n9s s ASN 50 CO 0.43 0.30 0.19 -1.48 -1.51 0.00 0.00 177.10 175.03 1n9s s LEU 51 N -1.60 0.95 -0.48 0.60 0.05 -0.83 -3.01 118.68 114.36 1n9s s LEU 51 Ca 0.22 0.40 -0.20 0.00 0.05 0.00 0.00 54.13 54.60 1n9s s LEU 51 Cb -0.12 0.61 0.04 0.00 -2.05 0.00 0.00 46.19 44.67 1n9s s LEU 51 CO 0.13 -0.11 0.65 -1.58 -0.55 0.00 0.00 176.35 174.89 1n9s s GLN 52 N 0.61 3.20 0.01 1.48 0.74 -1.13 -0.21 119.66 124.37 1n9s s GLN 52 Ca -0.04 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 54.76 1n9s s GLN 52 Cb -0.06 -4.03 -0.04 0.00 1.10 0.00 0.00 33.01 29.99 1n9s s GLN 52 CO -0.03 -1.14 0.02 -1.17 -0.55 0.00 0.00 175.29 172.41 1n9s s LEU 53 N 2.81 3.59 -0.04 3.68 2.96 0.02 -1.75 118.68 129.95 1n9s s LEU 53 Ca 0.19 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1n9s s LEU 53 Cb -0.16 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1n9s s LEU 53 CO 0.15 0.27 -0.06 0.21 -1.32 0.00 0.00 176.35 175.60 1n9s s ASN 54 N -1.67 4.67 -1.14 3.68 3.84 0.45 -1.74 114.94 123.03 1n9s s ASN 54 Ca 0.21 -0.07 -0.12 0.00 0.21 0.00 0.00 52.86 53.09 1n9s s ASN 54 Cb -0.12 -1.15 -0.03 0.00 -0.55 0.00 0.00 41.25 39.41 1n9s s ASN 54 CO 0.12 0.33 0.82 -0.62 -2.79 0.00 0.00 177.10 174.95 1n9s n GLU 55 N 1.90 -2.22 -2.56 0.43 1.02 -1.15 0.41 120.64 118.47 1n9s n GLU 55 Ca -0.17 0.62 -0.39 0.00 -0.02 0.00 0.00 57.16 57.20 1n9s n GLU 55 Cb 0.53 -4.87 -0.05 0.00 -0.02 0.00 0.00 31.44 27.03 1n9s n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9s s ALA 56 N -3.48 3.33 -0.05 0.62 0.00 -0.27 -4.25 121.76 117.66 1n9s s ALA 56 Ca 0.39 0.78 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1n9s s ALA 56 Cb -0.10 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1n9s s ALA 56 CO 0.81 -0.07 -0.04 -2.00 0.00 0.00 0.00 175.76 174.46 1n9s s GLU 57 N -1.60 0.86 0.22 0.00 2.12 0.17 -1.46 118.70 119.01 1n9s s GLU 57 Ca 0.46 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.40 1n9s s GLU 57 Cb -0.28 -0.89 -0.09 0.00 0.26 0.00 0.00 34.13 33.13 1n9s s GLU 57 CO 0.36 -0.10 0.91 -2.00 -0.54 0.00 0.00 175.26 173.88 1n9s s GLU 58 N 1.02 4.79 -0.05 4.30 2.12 -0.32 -2.25 118.70 128.33 1n9s s GLU 58 Ca -0.09 1.42 0.01 0.00 0.36 0.00 0.00 54.97 56.67 1n9s s GLU 58 Cb -0.14 -3.28 0.02 0.00 0.26 0.00 0.00 34.13 30.99 1n9s s GLU 58 CO -0.00 0.52 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.13 1n9s s PHE 59 N -1.11 0.74 -0.19 5.30 0.40 0.15 -1.91 117.98 121.36 1n9s s PHE 59 Ca 0.40 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 1n9s s PHE 59 Cb -0.25 -0.68 0.03 0.00 0.51 0.00 0.00 43.02 42.63 1n9s s PHE 59 CO 0.31 -0.21 -0.13 0.08 0.70 0.00 0.00 175.22 175.97 1n9s s VAL 60 N 1.04 1.75 -0.93 -0.44 1.01 -0.76 0.28 120.40 122.36 1n9s s VAL 60 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1n9s s VAL 60 Cb -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1n9s s VAL 60 CO -0.01 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.39 1n9s n ALA 61 N 4.67 -0.13 -1.36 5.51 0.00 0.48 -0.06 120.51 129.62 1n9s n ALA 61 Ca -0.16 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1n9s n ALA 61 Cb 0.48 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1n9s n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9s n GLY 62 N 0.14 0.84 3.25 0.00 0.00 -1.26 -5.06 105.19 103.10 1n9s n GLY 62 Ca -0.09 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1n9s n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n9s s VAL 63 N -2.00 2.25 0.17 1.61 1.01 0.91 -5.08 120.40 119.27 1n9s s VAL 63 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 1n9s s VAL 63 Cb 0.00 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.42 1n9s s VAL 63 CO 0.00 0.55 1.45 -0.55 0.00 0.00 0.00 175.10 176.55 1n9s s SER 64 N 0.33 6.72 -0.32 3.32 0.15 -1.26 -1.83 113.70 120.81 1n9s s SER 64 Ca -0.17 2.50 0.07 0.00 0.70 0.00 0.00 55.95 59.04 1n9s s SER 64 Cb -0.18 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 61.99 1n9s s SER 64 CO 0.08 -0.71 1.31 1.41 1.20 0.00 0.00 173.24 176.54 1n9s n HIS 65 N 3.47 2.31 0.00 3.44 8.25 -0.80 -4.96 115.22 126.93 1n9s n HIS 65 Ca 0.11 -2.17 0.00 0.00 -0.26 0.00 0.00 57.72 55.40 1n9s n HIS 65 Cb 0.41 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1n9s n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n9s n GLY 66 N -0.82 -3.39 3.21 -1.41 0.00 -1.26 -4.69 105.19 96.83 1n9s n GLY 66 Ca 0.42 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 1n9s n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9s s THR 67 N -0.71 2.17 0.48 2.61 2.01 -1.26 -1.17 115.64 119.77 1n9s s THR 67 Ca 0.00 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.12 1n9s s THR 67 Cb 0.00 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.69 1n9s s THR 67 CO 0.00 0.55 0.58 -0.76 -0.69 0.00 0.00 174.62 174.30 1n9s s LEU 68 N 0.55 3.30 0.00 4.42 1.43 -0.53 -4.98 118.68 122.86 1n9s s LEU 68 Ca -0.13 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1n9s s LEU 68 Cb -0.17 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1n9s s LEU 68 CO 0.04 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.26 1n9s n GLY 69 N -1.90 0.90 3.80 -3.19 0.00 -1.26 -3.37 105.19 100.17 1n9s n GLY 69 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1n9s n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n9s s GLU 70 N 0.62 4.30 0.08 1.61 0.41 -1.26 -1.11 118.70 123.34 1n9s s GLU 70 Ca 0.00 0.84 0.03 0.00 -0.41 0.00 0.00 54.97 55.43 1n9s s GLU 70 Cb 0.00 -3.25 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 1n9s s GLU 70 CO 0.00 0.60 -0.10 0.96 -0.49 0.00 0.00 175.26 176.23 1n9s s ILE 71 N -1.04 0.85 -0.28 -1.63 -4.36 -0.71 -4.97 121.20 109.05 1n9s s ILE 71 Ca 0.31 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 1n9s s ILE 71 Cb -0.20 -1.17 0.07 0.00 1.25 0.00 0.00 42.46 42.41 1n9s s ILE 71 CO 0.21 -0.50 -0.04 -0.36 0.24 0.00 0.00 174.94 174.49 1n9s s PHE 72 N -2.12 3.09 0.20 1.37 0.40 -1.26 -0.80 117.98 118.86 1n9s s PHE 72 Ca 0.01 -2.32 -0.09 0.00 -0.60 0.00 0.00 56.93 53.93 1n9s s PHE 72 Cb -0.05 -2.08 -0.07 0.00 0.51 0.00 0.00 43.02 41.33 1n9s s PHE 72 CO 0.00 -0.87 0.51 0.42 0.70 0.00 0.00 175.22 175.98 1n9s s ILE 73 N 1.15 4.97 -0.20 0.64 1.01 0.71 -4.91 121.20 124.58 1n9s s ILE 73 Ca -0.02 0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.96 1n9s s ILE 73 Cb -0.19 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1n9s s ILE 73 CO -0.07 -0.02 0.11 -0.13 0.00 0.00 0.00 174.94 174.83 1n9s s ARG 74 N -2.70 4.09 0.10 2.79 1.81 -1.26 -1.96 118.95 121.82 1n9s s ARG 74 Ca 0.45 -0.28 -0.19 0.00 -1.72 0.00 0.00 55.73 54.00 1n9s s ARG 74 Cb -0.12 -3.35 -0.04 0.00 -0.45 0.00 0.00 34.95 30.99 1n9s s ARG 74 CO 0.21 0.26 0.95 -1.13 -0.68 0.00 0.00 175.30 174.92 1n9s n SER 75 N 3.62 -0.64 -0.32 0.23 3.41 -1.20 -2.44 113.62 116.28 1n9s n SER 75 Ca -0.16 1.10 -0.05 0.00 -0.26 0.00 0.00 58.87 59.49 1n9s n SER 75 Cb 0.52 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1n9s n SER 75 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1n9s h ASN 76 N 0.00 -1.53 0.00 4.04 -0.26 -1.88 0.46 115.58 116.41 1n9s h ASN 76 Ca 0.10 0.29 0.00 0.00 -0.56 0.00 0.00 56.30 56.12 1n9s h ASN 76 Cb 0.25 0.75 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1n9s h ASN 76 CO -0.57 -0.29 0.00 0.59 -1.06 0.00 0.00 177.43 176.10 1n9s n ASN 77 N -5.41 0.00 -4.74 5.81 3.02 -1.02 -4.65 115.26 108.27 1n9s n ASN 77 Ca 0.06 -0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 1n9s n ASN 77 Cb 0.36 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.45 1n9s n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n9s s VAL 78 N -2.00 4.86 -0.17 2.41 1.01 0.16 -1.47 120.40 125.20 1n9s s VAL 78 Ca 0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1n9s s VAL 78 Cb 0.00 -3.11 -0.12 0.00 0.00 0.00 0.00 36.38 33.16 1n9s s VAL 78 CO 0.01 0.57 0.06 0.25 0.00 0.00 0.00 175.10 175.99 1n9s h LEU 79 N 5.50 0.00 -7.79 3.92 5.85 0.22 -3.42 115.31 119.59 1n9s h LEU 79 Ca -0.49 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.05 1n9s h LEU 79 Cb 1.20 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 1n9s h LEU 79 CO 0.60 1.11 0.32 -0.72 -0.34 0.00 0.00 178.44 179.42 1n9s s TYR 80 N -2.27 -0.20 -0.03 1.25 -0.85 -1.17 -5.01 117.35 109.07 1n9s s TYR 80 Ca -0.21 -0.18 0.06 0.00 -0.52 0.00 0.00 57.07 56.21 1n9s s TYR 80 Cb 0.04 0.67 -0.01 0.00 0.38 0.00 0.00 41.96 43.04 1n9s s TYR 80 CO 0.41 -1.05 -0.19 0.42 -1.52 0.00 0.00 175.55 173.61 1n9s s ILE 81 N -3.67 1.54 0.06 -3.49 1.01 -1.26 -1.34 121.20 114.05 1n9s s ILE 81 Ca 0.11 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1n9s s ILE 81 Cb -0.04 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1n9s s ILE 81 CO 0.04 0.44 -0.05 0.00 0.00 0.00 0.00 174.94 175.36 1n9s s ARG 82 N -0.30 0.64 -0.15 2.79 1.70 -0.57 -4.98 118.95 118.08 1n9s s ARG 82 Ca 0.04 -1.12 -0.25 0.00 -0.47 0.00 0.00 55.73 53.92 1n9s s ARG 82 Cb -0.09 -0.02 -0.02 0.00 -0.57 0.00 0.00 34.95 34.25 1n9s s ARG 82 CO 0.00 -0.05 0.82 -2.00 -1.08 0.00 0.00 175.30 172.99 1n9s s GLU 83 N -3.25 4.32 -0.14 3.89 2.12 -1.26 -0.79 118.70 123.59 1n9s s GLU 83 Ca 0.03 1.01 -0.29 0.00 0.36 0.00 0.00 54.97 56.08 1n9s s GLU 83 Cb 0.02 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 1n9s s GLU 83 CO -0.05 -0.27 1.27 -0.51 -0.54 0.00 0.00 175.26 175.16 1n9s s LEU 84 N 1.93 4.21 0.13 2.70 1.43 -0.57 -4.87 118.68 123.64 1n9s s LEU 84 Ca 0.38 1.74 -0.32 0.00 -1.03 0.00 0.00 54.13 54.91 1n9s s LEU 84 Cb -0.17 -3.54 -0.18 0.00 0.03 0.00 0.00 46.19 42.33 1n9s s LEU 84 CO 0.14 -0.74 0.72 -0.81 0.23 0.00 0.00 176.35 175.89 1n9s n PRO 85 N 6.39 0.04 0.00 1.29 -0.04 -1.26 -4.87 135.00 136.55 1n9s n PRO 85 Ca 0.14 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.64 1n9s n PRO 85 Cb 0.45 -1.19 0.17 0.00 -0.04 0.00 0.00 33.50 32.88 1n9s n PRO 85 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55