#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jt7 n PHE 1 N 0.00 1.81 -2.84 -1.40 7.35 -1.26 -5.01 117.46 116.11 1jt7 n PHE 1 Ca 0.00 -1.98 -0.42 0.00 -0.76 0.00 0.00 57.45 54.29 1jt7 n PHE 1 Cb 0.00 -0.29 -0.04 0.00 0.35 0.00 0.00 39.48 39.50 1jt7 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jt7 s ASN 2 N -3.49 6.79 0.10 -2.13 0.01 -1.26 -5.03 114.94 109.93 1jt7 s ASN 2 Ca 0.42 0.89 0.04 0.00 -0.71 0.00 0.00 52.86 53.50 1jt7 s ASN 2 Cb 0.38 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 1jt7 s ASN 2 CO -0.01 -0.65 0.07 -0.76 -1.51 0.00 0.00 177.10 174.23 1jt7 s LEU 3 N 3.10 3.70 0.77 0.60 1.43 -1.26 -0.89 118.68 126.12 1jt7 s LEU 3 Ca 0.37 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 1jt7 s LEU 3 Cb -0.14 -2.38 0.05 0.00 0.03 0.00 0.00 46.19 43.75 1jt7 s LEU 3 CO 0.11 0.15 1.14 -2.16 0.23 0.00 0.00 176.35 175.83 1jt7 s PRO 4 N -2.50 2.34 0.64 1.29 0.04 -1.26 -4.66 135.00 130.88 1jt7 s PRO 4 Ca 0.29 0.27 -0.17 0.00 0.04 0.00 0.00 61.00 61.43 1jt7 s PRO 4 Cb -0.12 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1jt7 s PRO 4 CO 0.21 -1.37 1.15 -1.25 0.04 0.00 0.00 177.00 175.79 1jt7 s PRO 5 N -5.47 2.81 0.14 0.56 0.04 -1.26 -4.90 135.00 126.92 1jt7 s PRO 5 Ca 0.60 1.59 -0.35 0.00 0.04 0.00 0.00 61.00 62.88 1jt7 s PRO 5 Cb -0.11 -1.93 -0.15 0.00 0.04 0.00 0.00 34.50 32.35 1jt7 s PRO 5 CO 0.50 -1.28 1.50 0.41 0.04 0.00 0.00 177.00 178.18 1jt7 n GLY 6 N -0.01 0.92 2.50 0.56 0.00 -1.26 -4.95 105.19 102.95 1jt7 n GLY 6 Ca 0.12 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.68 1jt7 n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jt7 n ASN 7 N 3.10 0.23 -0.00 1.61 5.03 -1.26 -4.89 115.26 119.07 1jt7 n ASN 7 Ca 0.17 -2.93 0.01 0.00 0.87 0.00 0.00 54.58 52.71 1jt7 n ASN 7 Cb 0.26 -0.01 -0.02 0.00 -1.02 0.00 0.00 39.78 39.00 1jt7 n ASN 7 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1jt7 n TYR 8 N 0.05 0.00 -0.10 3.10 4.01 -1.26 -4.66 117.16 118.30 1jt7 n TYR 8 Ca 0.13 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.78 1jt7 n TYR 8 Cb 0.75 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 1jt7 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jt7 h LYS 9 N 0.00 0.43 -6.22 -0.72 6.56 -1.90 -3.44 116.57 111.29 1jt7 h LYS 9 Ca 0.00 -0.03 -0.60 0.00 -1.06 0.00 0.00 60.65 58.96 1jt7 h LYS 9 Cb 0.08 -0.10 -0.13 0.00 -0.57 0.00 0.00 32.23 31.52 1jt7 h LYS 9 CO 0.00 0.30 -0.73 0.15 -2.06 0.00 0.00 179.45 177.11 1jt7 s LYS 10 N -6.11 1.82 0.81 3.15 1.02 -1.26 -5.11 119.74 114.07 1jt7 s LYS 10 Ca -0.13 -1.68 -0.10 0.00 0.02 0.00 0.00 55.97 54.08 1jt7 s LYS 10 Cb 0.10 -1.87 0.08 0.00 -0.52 0.00 0.00 37.83 35.63 1jt7 s LYS 10 CO 0.71 0.34 1.11 -1.25 -0.92 0.00 0.00 175.35 175.34 1jt7 s PRO 11 N -3.53 1.88 0.15 -1.68 0.04 -1.26 -4.76 135.00 125.84 1jt7 s PRO 11 Ca 0.30 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 1jt7 s PRO 11 Cb -0.05 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1jt7 s PRO 11 CO 0.16 -1.94 0.16 0.15 0.04 0.00 0.00 177.00 175.57 1jt7 s LYS 12 N -4.80 1.03 -0.11 4.56 -0.14 0.84 -4.17 119.74 116.96 1jt7 s LYS 12 Ca 0.63 -1.31 -0.06 0.00 -1.36 0.00 0.00 55.97 53.87 1jt7 s LYS 12 Cb -0.19 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.23 1jt7 s LYS 12 CO 0.56 -0.34 0.13 -0.51 -0.76 0.00 0.00 175.35 174.43 1jt7 s LEU 13 N -3.01 4.30 -0.56 3.17 1.43 0.13 -0.93 118.68 123.20 1jt7 s LEU 13 Ca 0.21 0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1jt7 s LEU 13 Cb 0.05 -2.08 0.15 0.00 0.03 0.00 0.00 46.19 44.34 1jt7 s LEU 13 CO 0.01 0.40 0.42 -0.76 0.23 0.00 0.00 176.35 176.65 1jt7 s LEU 14 N -1.08 5.69 -0.25 1.79 1.43 -1.26 0.25 118.68 125.24 1jt7 s LEU 14 Ca 0.16 -2.31 -0.21 0.00 -1.03 0.00 0.00 54.13 50.74 1jt7 s LEU 14 Cb -0.12 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1jt7 s LEU 14 CO 0.05 -0.57 0.64 -0.47 0.23 0.00 0.00 176.35 176.23 1jt7 s TYR 15 N 0.75 3.28 -0.32 0.29 5.04 -0.51 -1.30 117.35 124.59 1jt7 s TYR 15 Ca 0.11 0.83 -0.19 0.00 -2.44 0.00 0.00 57.07 55.38 1jt7 s TYR 15 Cb -0.22 -2.86 -0.01 0.00 0.35 0.00 0.00 41.96 39.23 1jt7 s TYR 15 CO -0.03 -0.33 0.57 0.00 -1.34 0.00 0.00 175.55 174.42 1jt7 h SER 17 N 8.28 0.00 -0.11 0.00 4.64 -1.74 -1.19 113.55 123.43 1jt7 h SER 17 Ca -0.27 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1jt7 h SER 17 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1jt7 h SER 17 CO 0.78 0.05 -0.15 -1.13 -0.87 0.00 0.00 176.83 175.51 1jt7 h ASN 18 N 0.00 -0.50 -0.14 4.97 -1.24 -1.79 -3.26 115.58 113.61 1jt7 h ASN 18 Ca -0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1jt7 h ASN 18 Cb 0.17 0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1jt7 h ASN 18 CO 0.01 -0.11 0.00 0.61 -1.29 0.00 0.00 177.43 176.65 1jt7 n GLY 19 N -1.10 1.88 2.35 1.57 0.00 -1.24 -4.81 105.19 103.84 1jt7 n GLY 19 Ca -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1jt7 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jt7 n GLY 20 N 0.12 -0.04 3.40 -0.02 0.00 -0.47 -4.99 105.19 103.19 1jt7 n GLY 20 Ca 0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1jt7 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jt7 s HIS 21 N -3.20 2.32 -0.17 1.61 3.76 -1.09 -4.55 115.29 113.97 1jt7 s HIS 21 Ca 0.05 -0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 54.45 1jt7 s HIS 21 Cb -0.01 -1.25 -0.05 0.00 1.11 0.00 0.00 32.58 32.39 1jt7 s HIS 21 CO 0.40 0.35 0.29 -0.06 -0.85 0.00 0.00 174.74 174.87 1jt7 s PHE 22 N -1.08 3.45 0.43 1.40 0.08 0.15 -0.01 117.98 122.40 1jt7 s PHE 22 Ca 0.14 0.58 -0.26 0.00 0.12 0.00 0.00 56.93 57.51 1jt7 s PHE 22 Cb -0.10 -2.35 -0.09 0.00 -0.57 0.00 0.00 43.02 39.91 1jt7 s PHE 22 CO 0.06 0.21 1.39 -0.11 -0.10 0.00 0.00 175.22 176.68 1jt7 n LEU 23 N 3.67 4.75 -3.81 -0.37 7.94 -0.42 -1.18 117.00 127.58 1jt7 n LEU 23 Ca -0.12 1.13 -0.13 0.00 -1.11 0.00 0.00 56.01 55.79 1jt7 n LEU 23 Cb 0.52 -1.57 -0.13 0.00 0.53 0.00 0.00 43.42 42.76 1jt7 n LEU 23 CO 0.40 -0.27 -0.21 -0.60 -1.11 0.00 0.00 177.39 175.59 1jt7 s ARG 24 N -2.33 0.15 -0.24 1.96 3.52 0.16 -4.40 118.95 117.77 1jt7 s ARG 24 Ca 0.60 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.43 1jt7 s ARG 24 Cb -0.47 0.03 0.04 0.00 -1.56 0.00 0.00 34.95 32.99 1jt7 s ARG 24 CO 0.58 -0.05 -0.10 0.42 -0.81 0.00 0.00 175.30 175.34 1jt7 s ILE 25 N 0.28 2.49 0.43 4.11 1.01 -1.06 -1.25 121.20 127.20 1jt7 s ILE 25 Ca -0.02 -1.21 -0.15 0.00 0.00 0.00 0.00 60.65 59.28 1jt7 s ILE 25 Cb -0.03 -2.29 -0.08 0.00 0.01 0.00 0.00 42.46 40.08 1jt7 s ILE 25 CO -0.01 0.19 0.86 -0.76 0.00 0.00 0.00 174.94 175.22 1jt7 s LEU 26 N 1.25 3.81 0.43 2.97 1.43 0.18 -4.84 118.68 123.90 1jt7 s LEU 26 Ca -0.02 1.38 0.26 0.00 -1.03 0.00 0.00 54.13 54.72 1jt7 s LEU 26 Cb -0.17 -4.27 1.29 0.00 0.03 0.00 0.00 46.19 43.07 1jt7 s LEU 26 CO -0.06 -0.43 1.72 -0.65 0.23 0.00 0.00 176.35 177.15 1jt7 h PRO 27 N 1.37 0.22 0.00 1.29 0.11 -1.99 0.69 132.00 133.69 1jt7 h PRO 27 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jt7 h PRO 27 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jt7 h PRO 27 CO 0.63 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 1jt7 n ASP 28 N -4.58 0.00 0.00 -2.05 5.75 -1.26 -4.80 116.55 109.60 1jt7 n ASP 28 Ca 0.30 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1jt7 n ASP 28 Cb 1.15 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.24 1jt7 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jt7 n GLY 29 N 0.47 0.78 3.76 6.12 0.00 0.24 -4.98 105.19 111.58 1jt7 n GLY 29 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1jt7 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jt7 s THR 30 N -2.90 3.46 -0.06 2.61 2.01 -1.19 -1.75 115.64 117.81 1jt7 s THR 30 Ca 0.00 1.47 0.05 0.00 0.31 0.00 0.00 61.69 63.52 1jt7 s THR 30 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1jt7 s THR 30 CO 0.00 0.35 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.36 1jt7 s VAL 31 N -1.17 1.89 0.00 3.82 1.01 -1.26 0.50 120.40 125.20 1jt7 s VAL 31 Ca 0.45 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1jt7 s VAL 31 Cb -0.32 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1jt7 s VAL 31 CO 0.41 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 175.14 1jt7 n ASP 32 N 3.16 0.00 -4.16 3.32 5.75 -0.38 -4.48 116.55 119.76 1jt7 n ASP 32 Ca -0.18 -0.03 -0.20 0.00 -0.01 0.00 0.00 54.79 54.37 1jt7 n ASP 32 Cb 0.52 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.49 1jt7 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jt7 s GLY 33 N -0.25 0.83 0.04 6.12 0.00 0.52 0.38 107.32 114.96 1jt7 s GLY 33 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1jt7 s GLY 33 CO 0.00 -0.89 -0.08 -1.08 0.00 0.00 0.00 173.10 171.05 1jt7 s THR 34 N -1.00 0.55 -2.21 0.90 -1.32 -0.33 -4.76 115.64 107.46 1jt7 s THR 34 Ca 0.00 -1.07 0.26 0.00 -1.21 0.00 0.00 61.69 59.67 1jt7 s THR 34 Cb -0.09 -0.62 0.30 0.00 -1.51 0.00 0.00 72.50 70.59 1jt7 s THR 34 CO 0.02 -0.37 1.50 0.54 -2.21 0.00 0.00 174.62 174.10 1jt7 n ARG 35 N 1.48 1.37 -2.72 7.08 1.74 -1.26 0.30 116.66 124.66 1jt7 n ARG 35 Ca -0.23 -0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 55.50 1jt7 n ARG 35 Cb 0.55 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1jt7 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jt7 s ASP 36 N -2.27 6.21 0.00 0.55 2.15 -1.26 -4.85 116.67 117.20 1jt7 s ASP 36 Ca 0.28 -0.61 0.10 0.00 0.43 0.00 0.00 52.55 52.75 1jt7 s ASP 36 Cb 0.20 -2.48 0.47 0.00 -0.30 0.00 0.00 42.92 40.80 1jt7 s ASP 36 CO 0.44 -1.56 1.21 -1.14 -0.17 0.00 0.00 175.17 173.95 1jt7 n ARG 37 N 8.35 0.11 0.00 4.34 0.63 -1.26 -1.57 116.66 127.26 1jt7 n ARG 37 Ca 0.00 0.22 0.12 0.00 -0.92 0.00 0.00 57.85 57.27 1jt7 n ARG 37 Cb 0.47 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 31.99 1jt7 n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1jt7 n SER 38 N -1.33 1.41 -4.70 6.15 3.41 -1.26 -4.96 113.62 112.34 1jt7 n SER 38 Ca 0.04 -1.12 -0.43 0.00 -0.26 0.00 0.00 58.87 57.10 1jt7 n SER 38 Cb 0.08 0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1jt7 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jt7 n ASP 39 N -0.60 2.90 -0.50 4.04 -0.08 -0.61 -4.89 116.55 116.80 1jt7 n ASP 39 Ca 0.09 1.19 0.06 0.00 -1.51 0.00 0.00 54.79 54.62 1jt7 n ASP 39 Cb 0.40 -1.49 0.19 0.00 2.34 0.00 0.00 41.12 42.56 1jt7 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jt7 n GLN 40 N 0.93 1.64 -0.11 -0.67 1.13 -1.26 -3.96 117.38 115.08 1jt7 n GLN 40 Ca 0.06 -0.98 0.09 0.00 -1.94 0.00 0.00 57.00 54.23 1jt7 n GLN 40 Cb 0.35 -1.25 0.14 0.00 0.11 0.00 0.00 30.24 29.59 1jt7 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jt7 n HIS 41 N 0.27 0.11 -0.06 1.08 8.25 -1.26 -4.64 115.22 118.98 1jt7 n HIS 41 Ca 0.11 -0.92 0.06 0.00 -0.26 0.00 0.00 57.72 56.71 1jt7 n HIS 41 Cb 0.25 -0.16 0.15 0.00 1.12 0.00 0.00 29.99 31.35 1jt7 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jt7 n ILE 42 N -1.20 0.80 -3.60 1.59 -5.35 -1.25 -2.57 119.36 107.79 1jt7 n ILE 42 Ca 0.15 -0.90 -0.36 0.00 -0.27 0.00 0.00 62.75 61.36 1jt7 n ILE 42 Cb 0.62 0.65 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 1jt7 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jt7 s GLN 43 N -1.01 4.22 0.11 6.28 1.11 -1.26 -4.35 119.66 124.77 1jt7 s GLN 43 Ca 0.24 -0.02 0.08 0.00 0.01 0.00 0.00 55.36 55.66 1jt7 s GLN 43 Cb 0.13 -3.44 -0.04 0.00 -1.01 0.00 0.00 33.01 28.66 1jt7 s GLN 43 CO 0.17 0.23 -0.19 -0.06 0.01 0.00 0.00 175.29 175.46 1jt7 s PHE 44 N 0.52 1.68 -0.22 0.91 0.08 -0.11 -1.57 117.98 119.27 1jt7 s PHE 44 Ca 0.13 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1jt7 s PHE 44 Cb -0.12 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1jt7 s PHE 44 CO 0.02 0.21 -0.09 -1.14 -0.10 0.00 0.00 175.22 174.12 1jt7 s GLN 45 N -2.15 3.07 0.00 0.44 2.00 0.14 -0.11 119.66 123.05 1jt7 s GLN 45 Ca 0.07 -0.81 -0.03 0.00 -2.00 0.00 0.00 55.36 52.59 1jt7 s GLN 45 Cb -0.09 -2.88 -0.04 0.00 0.80 0.00 0.00 33.01 30.80 1jt7 s GLN 45 CO 0.04 -0.28 0.20 -0.51 -0.50 0.00 0.00 175.29 174.24 1jt7 s LEU 46 N 1.37 4.37 0.01 3.68 1.02 -1.26 -1.15 118.68 126.72 1jt7 s LEU 46 Ca 0.03 0.36 -0.06 0.00 0.02 0.00 0.00 54.13 54.49 1jt7 s LEU 46 Cb -0.15 -2.68 -0.00 0.00 0.02 0.00 0.00 46.19 43.38 1jt7 s LEU 46 CO -0.06 0.25 0.11 -0.94 0.02 0.00 0.00 176.35 175.72 1jt7 s SER 47 N -1.99 0.08 -0.23 2.29 1.04 -0.91 -4.61 113.70 109.38 1jt7 s SER 47 Ca 0.29 -0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 1jt7 s SER 47 Cb -0.13 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 1jt7 s SER 47 CO 0.20 -0.40 0.16 0.00 0.98 0.00 0.00 173.24 174.18 1jt7 s ALA 48 N -1.69 3.62 -0.11 5.32 0.00 -1.26 -1.56 121.76 126.09 1jt7 s ALA 48 Ca -0.13 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 1jt7 s ALA 48 Cb -0.06 -2.30 -0.27 0.00 0.00 0.00 0.00 23.12 20.48 1jt7 s ALA 48 CO -0.00 -0.12 0.58 0.93 0.00 0.00 0.00 175.76 177.15 1jt7 h GLU 49 N 7.34 0.20 -4.54 0.00 4.39 -0.91 -3.48 114.58 117.59 1jt7 h GLU 49 Ca -0.39 -0.35 -0.22 0.00 0.34 0.00 0.00 59.36 58.75 1jt7 h GLU 49 Cb 1.17 0.13 -0.15 0.00 -0.10 0.00 0.00 28.75 29.80 1jt7 h GLU 49 CO 0.68 1.17 -0.64 -1.12 -1.16 0.00 0.00 179.01 177.94 1jt7 s SER 50 N -6.93 0.35 0.12 1.42 0.01 -1.21 -5.01 113.70 102.44 1jt7 s SER 50 Ca -0.20 -1.28 -0.31 0.00 1.31 0.00 0.00 55.95 55.47 1jt7 s SER 50 Cb 0.03 0.31 -0.11 0.00 0.21 0.00 0.00 66.02 66.47 1jt7 s SER 50 CO 0.75 -0.76 1.85 0.52 0.41 0.00 0.00 173.24 176.01 1jt7 n VAL 51 N -0.19 0.39 -0.98 3.43 0.31 -1.26 -0.88 118.33 119.15 1jt7 n VAL 51 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1jt7 n VAL 51 Cb 0.65 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1jt7 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jt7 n GLY 52 N 4.25 1.04 3.35 2.92 0.00 -1.26 -5.00 105.19 110.48 1jt7 n GLY 52 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1jt7 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jt7 s GLU 53 N -0.00 3.40 0.21 1.61 2.02 -0.06 -1.17 118.70 124.72 1jt7 s GLU 53 Ca 0.00 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.39 1jt7 s GLU 53 Cb 0.00 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 1jt7 s GLU 53 CO 0.00 0.01 -0.03 0.14 0.02 0.00 0.00 175.26 175.40 1jt7 s VAL 54 N 0.92 1.10 -0.01 2.63 -7.23 0.05 -0.16 120.40 117.70 1jt7 s VAL 54 Ca -0.01 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1jt7 s VAL 54 Cb -0.15 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1jt7 s VAL 54 CO 0.00 -0.42 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.01 1jt7 s TYR 55 N -3.37 2.95 -0.31 2.82 2.02 -0.60 -1.50 117.35 119.35 1jt7 s TYR 55 Ca 0.26 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.99 1jt7 s TYR 55 Cb 0.05 -1.65 0.09 0.00 -0.40 0.00 0.00 41.96 40.05 1jt7 s TYR 55 CO 0.07 0.39 0.01 0.42 -1.57 0.00 0.00 175.55 174.86 1jt7 s ILE 56 N -0.98 2.05 -0.11 2.71 1.01 -1.26 -2.14 121.20 122.48 1jt7 s ILE 56 Ca 0.17 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.83 1jt7 s ILE 56 Cb -0.11 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1jt7 s ILE 56 CO 0.07 -0.43 -0.11 -0.75 0.00 0.00 0.00 174.94 173.72 1jt7 s LYS 57 N 1.06 3.23 0.02 2.79 2.20 -0.30 -0.51 119.74 128.23 1jt7 s LYS 57 Ca 0.05 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 1jt7 s LYS 57 Cb -0.19 -2.63 -0.06 0.00 -1.51 0.00 0.00 37.83 33.44 1jt7 s LYS 57 CO -0.09 0.33 1.42 0.45 -0.36 0.00 0.00 175.35 177.10 1jt7 s SER 58 N 0.07 6.83 0.29 1.43 0.15 0.02 0.25 113.70 122.73 1jt7 s SER 58 Ca -0.04 2.17 0.11 0.00 0.70 0.00 0.00 55.95 58.89 1jt7 s SER 58 Cb -0.14 -2.56 0.41 0.00 -1.71 0.00 0.00 66.02 62.02 1jt7 s SER 58 CO 0.04 -0.72 1.65 0.71 1.20 0.00 0.00 173.24 176.11 1jt7 h THR 59 N 4.82 1.41 -0.00 6.45 1.35 -1.63 0.38 112.91 125.69 1jt7 h THR 59 Ca -0.39 -1.99 -0.00 0.00 -0.55 0.00 0.00 66.41 63.48 1jt7 h THR 59 Cb 1.18 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1jt7 h THR 59 CO 0.90 0.57 -0.00 -0.08 -0.25 0.00 0.00 175.52 176.65 1jt7 h GLU 60 N 0.00 0.00 0.00 4.72 4.57 -1.82 -3.38 114.58 118.67 1jt7 h GLU 60 Ca -0.01 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1jt7 h GLU 60 Cb 1.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1jt7 h GLU 60 CO 0.08 0.66 -1.80 0.25 -1.18 0.00 0.00 179.01 177.02 1jt7 n THR 61 N -4.77 0.00 -0.62 0.32 -2.24 -1.24 -4.99 114.28 100.74 1jt7 n THR 61 Ca -0.09 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1jt7 n THR 61 Cb 0.33 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1jt7 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jt7 n GLY 62 N 1.41 1.26 3.78 3.38 0.00 0.13 -5.01 105.19 110.13 1jt7 n GLY 62 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1jt7 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jt7 s GLN 63 N -0.19 4.02 -0.13 1.61 -0.21 -1.26 -4.66 119.66 118.84 1jt7 s GLN 63 Ca 0.00 1.67 -0.10 0.00 0.02 0.00 0.00 55.36 56.95 1jt7 s GLN 63 Cb 0.00 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 1jt7 s GLN 63 CO 0.00 -0.30 0.20 0.71 -2.12 0.00 0.00 175.29 173.78 1jt7 s TYR 64 N -1.56 3.55 0.28 0.91 1.51 0.72 -0.80 117.35 121.96 1jt7 s TYR 64 Ca 0.59 0.55 -0.29 0.00 -1.01 0.00 0.00 57.07 56.91 1jt7 s TYR 64 Cb -0.26 -2.11 -0.10 0.00 -0.11 0.00 0.00 41.96 39.38 1jt7 s TYR 64 CO 0.32 0.53 1.39 -1.17 -1.11 0.00 0.00 175.55 175.51 1jt7 s LEU 65 N -0.43 4.40 0.14 -1.29 2.96 0.33 -0.05 118.68 124.74 1jt7 s LEU 65 Ca 0.15 2.69 -0.13 0.00 -0.22 0.00 0.00 54.13 56.62 1jt7 s LEU 65 Cb -0.13 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1jt7 s LEU 65 CO 0.04 -0.65 0.35 0.00 -1.32 0.00 0.00 176.35 174.77 1jt7 s ALA 66 N -0.47 -0.53 -0.09 5.97 0.00 0.10 -4.39 121.76 122.34 1jt7 s ALA 66 Ca 0.55 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1jt7 s ALA 66 Cb -0.41 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1jt7 s ALA 66 CO 0.48 -0.64 -0.08 1.41 0.00 0.00 0.00 175.76 176.92 1jt7 s MET 67 N -3.87 1.50 1.05 0.00 1.75 -0.74 0.37 119.30 119.35 1jt7 s MET 67 Ca 0.08 -0.28 -0.18 0.00 -1.25 0.00 0.00 55.69 54.07 1jt7 s MET 67 Cb 0.02 -1.46 0.24 0.00 2.84 0.00 0.00 34.83 36.48 1jt7 s MET 67 CO -0.07 -0.17 1.28 0.16 -0.65 0.00 0.00 175.02 175.58 1jt7 s ASP 68 N 1.34 2.28 0.58 1.11 1.47 0.12 -4.76 116.67 118.81 1jt7 s ASP 68 Ca -0.02 0.28 0.29 0.00 1.18 0.00 0.00 52.55 54.28 1jt7 s ASP 68 Cb -0.14 -0.31 1.76 0.00 -0.34 0.00 0.00 42.92 43.89 1jt7 s ASP 68 CO -0.04 -3.25 2.23 0.00 0.68 0.00 0.00 175.17 174.79 1jt7 h THR 69 N -2.00 0.55 -0.68 2.11 1.03 -2.01 -0.23 112.91 111.68 1jt7 h THR 69 Ca -0.44 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 1jt7 h THR 69 Cb 1.24 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 1jt7 h THR 69 CO 0.33 0.02 0.00 0.47 -0.01 0.00 0.00 175.52 176.32 1jt7 n ASP 70 N -3.85 3.69 0.00 0.00 8.00 -1.26 -4.93 116.55 118.20 1jt7 n ASP 70 Ca -0.03 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1jt7 n ASP 70 Cb 0.10 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1jt7 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jt7 n GLY 71 N 1.60 0.61 3.73 0.44 0.00 -0.10 -4.67 105.19 106.80 1jt7 n GLY 71 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1jt7 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jt7 s LEU 72 N 0.00 4.37 0.03 0.99 1.43 -1.26 -0.79 118.68 123.45 1jt7 s LEU 72 Ca 0.00 1.32 -0.28 0.00 -1.03 0.00 0.00 54.13 54.14 1jt7 s LEU 72 Cb 0.00 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1jt7 s LEU 72 CO 0.00 -0.08 0.89 -0.69 0.23 0.00 0.00 176.35 176.70 1jt7 s VAL 73 N 0.50 4.76 0.22 -1.59 1.01 -1.26 -0.70 120.40 123.34 1jt7 s VAL 73 Ca 0.39 1.90 -0.07 0.00 0.00 0.00 0.00 61.98 64.20 1jt7 s VAL 73 Cb -0.19 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1jt7 s VAL 73 CO 0.21 0.26 0.29 -0.72 0.00 0.00 0.00 175.10 175.14 1jt7 s TYR 74 N 0.48 0.78 -0.26 5.22 1.13 0.16 -4.49 117.35 120.38 1jt7 s TYR 74 Ca 0.46 -1.07 -0.10 0.00 -1.41 0.00 0.00 57.07 54.95 1jt7 s TYR 74 Cb -0.21 -0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.39 1jt7 s TYR 74 CO 0.26 -0.80 0.16 0.20 -2.51 0.00 0.00 175.55 172.86 1jt7 s GLY 75 N -3.09 1.92 -0.15 5.49 0.00 -0.72 0.02 107.32 110.79 1jt7 s GLY 75 Ca 0.31 -1.02 -0.08 0.00 0.00 0.00 0.00 44.72 43.93 1jt7 s GLY 75 CO 0.10 0.53 0.13 -0.45 0.00 0.00 0.00 173.10 173.42 1jt7 s SER 76 N 1.46 6.30 0.27 1.64 0.15 0.93 -4.72 113.70 119.74 1jt7 s SER 76 Ca 0.07 0.37 0.03 0.00 0.70 0.00 0.00 55.95 57.11 1jt7 s SER 76 Cb -0.15 -2.07 0.38 0.00 -1.71 0.00 0.00 66.02 62.47 1jt7 s SER 76 CO 0.08 0.31 1.69 1.56 1.20 0.00 0.00 173.24 178.08 1jt7 h GLN 77 N 5.68 0.43 -6.20 5.44 1.08 -1.91 0.20 115.11 119.83 1jt7 h GLN 77 Ca -0.49 -0.18 -0.57 0.00 -1.45 0.00 0.00 58.65 55.96 1jt7 h GLN 77 Cb 1.20 -0.01 -0.20 0.00 -0.05 0.00 0.00 27.48 28.41 1jt7 h GLN 77 CO 0.65 0.71 -0.82 0.95 -0.95 0.00 0.00 178.83 179.37 1jt7 s THR 78 N -4.35 1.84 0.15 -0.54 -4.23 -1.26 -4.79 115.64 102.46 1jt7 s THR 78 Ca -0.06 -1.71 -0.30 0.00 -1.18 0.00 0.00 61.69 58.44 1jt7 s THR 78 Cb 0.13 -1.72 -0.07 0.00 1.34 0.00 0.00 72.50 72.18 1jt7 s THR 78 CO 0.79 -0.12 1.03 -2.16 -0.54 0.00 0.00 174.62 173.62 1jt7 s PRO 79 N -2.23 4.65 0.26 3.99 0.04 -1.26 -4.87 135.00 135.58 1jt7 s PRO 79 Ca 0.11 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1jt7 s PRO 79 Cb -0.09 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1jt7 s PRO 79 CO 0.05 0.15 0.33 0.27 0.04 0.00 0.00 177.00 177.84 1jt7 n ASN 80 N 2.56 -0.90 0.28 6.66 0.23 -1.26 -5.03 115.26 117.80 1jt7 n ASN 80 Ca 0.02 -2.48 0.16 0.00 -0.53 0.00 0.00 54.58 51.76 1jt7 n ASN 80 Cb 0.48 1.74 0.90 0.00 -2.08 0.00 0.00 39.78 40.82 1jt7 n ASN 80 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1jt7 h GLU 81 N 0.00 0.00 0.00 -3.83 5.08 -1.99 0.00 114.58 113.84 1jt7 h GLU 81 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1jt7 h GLU 81 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1jt7 h GLU 81 CO 0.27 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.67 1jt7 n GLU 82 N -3.81 0.34 0.01 2.33 1.02 -1.26 -3.44 120.64 115.82 1jt7 n GLU 82 Ca -0.02 0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1jt7 n GLU 82 Cb 0.14 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1jt7 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jt7 s LEU 84 N -3.48 4.39 0.02 0.00 1.43 -1.22 -4.52 118.68 115.31 1jt7 s LEU 84 Ca 0.06 1.45 0.06 0.00 -1.03 0.00 0.00 54.13 54.67 1jt7 s LEU 84 Cb 0.16 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1jt7 s LEU 84 CO 0.80 -0.11 -0.18 -0.36 0.23 0.00 0.00 176.35 176.73 1jt7 s PHE 85 N 0.51 1.58 -0.43 0.29 0.40 -0.56 -0.89 117.98 118.88 1jt7 s PHE 85 Ca 0.42 -0.34 -0.24 0.00 -0.60 0.00 0.00 56.93 56.18 1jt7 s PHE 85 Cb -0.20 -0.97 0.02 0.00 0.51 0.00 0.00 43.02 42.39 1jt7 s PHE 85 CO 0.23 0.04 0.82 -0.51 0.70 0.00 0.00 175.22 176.50 1jt7 s LEU 86 N -0.88 4.15 -0.38 -0.37 1.43 0.14 -0.77 118.68 122.00 1jt7 s LEU 86 Ca 0.06 0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 53.00 1jt7 s LEU 86 Cb -0.08 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.11 1jt7 s LEU 86 CO 0.01 -0.89 0.86 -0.70 0.23 0.00 0.00 176.35 175.86 1jt7 s GLU 87 N 3.35 3.76 0.12 1.70 2.12 -0.32 -1.51 118.70 127.92 1jt7 s GLU 87 Ca 0.32 0.41 0.05 0.00 0.36 0.00 0.00 54.97 56.11 1jt7 s GLU 87 Cb -0.12 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1jt7 s GLU 87 CO 0.22 -0.94 -0.12 1.03 -0.54 0.00 0.00 175.26 174.91 1jt7 s ARG 88 N 3.34 0.99 0.37 4.30 1.81 -0.21 -4.68 118.95 124.88 1jt7 s ARG 88 Ca 0.35 -1.29 -0.24 0.00 -1.72 0.00 0.00 55.73 52.83 1jt7 s ARG 88 Cb -0.12 -0.71 -0.10 0.00 -0.45 0.00 0.00 34.95 33.56 1jt7 s ARG 88 CO 0.19 0.12 0.97 -1.17 -0.68 0.00 0.00 175.30 174.72 1jt7 s LEU 89 N -2.69 4.17 -0.00 2.53 2.96 -0.07 -0.12 118.68 125.45 1jt7 s LEU 89 Ca 0.11 1.83 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 1jt7 s LEU 89 Cb -0.02 -4.22 0.00 0.00 0.50 0.00 0.00 46.19 42.45 1jt7 s LEU 89 CO 0.02 -0.25 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.08 1jt7 s GLU 90 N -2.50 0.13 -1.09 1.98 2.56 0.71 -4.80 118.70 115.68 1jt7 s GLU 90 Ca 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 54.97 55.47 1jt7 s GLU 90 Cb -0.16 -0.13 0.00 0.00 2.00 0.00 0.00 34.13 35.84 1jt7 s GLU 90 CO 0.21 0.03 0.03 0.39 -0.56 0.00 0.00 175.26 175.36 1jt7 n GLU 91 N 3.09 -2.30 -0.09 4.30 1.02 -1.26 -0.86 120.64 124.54 1jt7 n GLU 91 Ca -0.13 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1jt7 n GLU 91 Cb 0.59 -5.22 0.00 0.00 -0.02 0.00 0.00 31.44 26.79 1jt7 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jt7 n ASN 92 N -1.84 0.00 0.00 1.62 4.13 -1.26 -4.59 115.26 113.32 1jt7 n ASN 92 Ca -0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.12 1jt7 n ASN 92 Cb 0.61 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1jt7 n ASN 92 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1jt7 n HIS 93 N -2.00 0.00 -3.08 3.10 8.25 -0.53 -5.11 115.22 115.86 1jt7 n HIS 93 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1jt7 n HIS 93 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1jt7 n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1jt7 s TYR 94 N -0.60 2.90 -0.10 4.41 2.02 -0.04 -4.90 117.35 121.04 1jt7 s TYR 94 Ca 0.00 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1jt7 s TYR 94 Cb 0.00 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1jt7 s TYR 94 CO 0.00 -0.37 -0.01 -0.80 -1.57 0.00 0.00 175.55 172.80 1jt7 s ASN 95 N -4.31 5.09 0.16 2.29 -0.87 0.30 -0.21 114.94 117.39 1jt7 s ASN 95 Ca 0.53 0.07 0.10 0.00 -1.57 0.00 0.00 52.86 51.98 1jt7 s ASN 95 Cb -0.10 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.25 39.59 1jt7 s ASN 95 CO 0.33 0.33 -0.22 0.42 -2.57 0.00 0.00 177.10 175.39 1jt7 s THR 96 N -0.60 2.07 -0.23 1.60 -4.23 0.83 -1.37 115.64 113.71 1jt7 s THR 96 Ca 0.10 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1jt7 s THR 96 Cb -0.12 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 71.85 1jt7 s THR 96 CO 0.02 -0.14 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.63 1jt7 s TYR 97 N -1.62 2.04 -0.16 3.99 2.02 -1.26 -1.04 117.35 121.31 1jt7 s TYR 97 Ca 0.16 -1.54 -0.12 0.00 -0.37 0.00 0.00 57.07 55.20 1jt7 s TYR 97 Cb -0.08 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 39.98 1jt7 s TYR 97 CO 0.07 -0.74 0.23 0.42 -1.57 0.00 0.00 175.55 173.96 1jt7 s ILE 98 N 1.52 5.35 0.07 2.71 1.01 -0.57 -0.90 121.20 130.38 1jt7 s ILE 98 Ca -0.04 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 1jt7 s ILE 98 Cb -0.18 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 1jt7 s ILE 98 CO -0.07 0.45 1.87 -0.55 0.00 0.00 0.00 174.94 176.63 1jt7 s SER 99 N 0.16 6.46 0.13 3.58 0.15 0.05 0.23 113.70 124.46 1jt7 s SER 99 Ca 0.14 2.67 -0.16 0.00 0.70 0.00 0.00 55.95 59.30 1jt7 s SER 99 Cb -0.12 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1jt7 s SER 99 CO 0.02 -1.01 1.66 0.50 1.20 0.00 0.00 173.24 175.61 1jt7 h LYS 100 N 9.50 0.59 -0.60 5.44 3.64 -1.33 -0.28 116.57 133.54 1jt7 h LYS 100 Ca -0.47 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 58.81 1jt7 h LYS 100 Cb 1.22 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1jt7 h LYS 100 CO 0.94 0.59 0.40 -0.22 -2.27 0.00 0.00 179.45 178.89 1jt7 h LYS 101 N 0.48 0.71 -0.37 1.90 3.64 -1.76 -2.68 116.57 118.49 1jt7 h LYS 101 Ca 0.13 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 1jt7 h LYS 101 Cb 0.24 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 31.80 1jt7 h LYS 101 CO -0.01 0.47 -0.03 0.72 -2.27 0.00 0.00 179.45 178.34 1jt7 n HIS 102 N -4.46 1.15 -0.33 1.91 8.25 -1.10 -4.75 115.22 115.89 1jt7 n HIS 102 Ca 0.07 -1.49 0.06 0.00 -0.26 0.00 0.00 57.72 56.10 1jt7 n HIS 102 Cb 0.11 -0.48 0.22 0.00 1.12 0.00 0.00 29.99 30.96 1jt7 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jt7 h ALA 103 N 1.12 1.37 0.00 -1.41 0.00 -0.69 -0.92 119.26 118.75 1jt7 h ALA 103 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jt7 h ALA 103 Cb 1.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1jt7 h ALA 103 CO 0.39 0.12 0.00 1.05 0.00 0.00 0.00 179.25 180.81 1jt7 h GLU 104 N 0.85 0.00 -0.03 0.00 9.09 -1.85 -1.33 114.58 121.31 1jt7 h GLU 104 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 1jt7 h GLU 104 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1jt7 h GLU 104 CO -0.28 0.00 -0.02 1.63 0.05 0.00 0.00 179.01 180.38 1jt7 n LYS 105 N -2.52 2.17 -3.52 1.06 5.02 -0.36 -4.98 118.16 115.03 1jt7 n LYS 105 Ca -0.00 -1.84 -0.20 0.00 -2.02 0.00 0.00 58.31 54.24 1jt7 n LYS 105 Cb 0.14 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 33.76 1jt7 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jt7 n ASN 106 N 1.24 -3.53 -4.65 4.39 4.13 -0.50 -4.96 115.26 111.38 1jt7 n ASN 106 Ca 0.13 -0.78 -0.39 0.00 1.68 0.00 0.00 54.58 55.22 1jt7 n ASN 106 Cb 0.57 -4.47 -0.08 0.00 -1.54 0.00 0.00 39.78 34.26 1jt7 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jt7 s TRP 107 N -3.50 3.32 0.35 3.10 0.52 -1.22 -4.54 118.94 116.97 1jt7 s TRP 107 Ca 0.21 0.56 0.09 0.00 0.02 0.00 0.00 56.10 56.98 1jt7 s TRP 107 Cb -0.05 -2.56 -0.06 0.00 -1.15 0.00 0.00 33.47 29.65 1jt7 s TRP 107 CO 0.78 -0.10 -0.05 -0.06 0.02 0.00 0.00 176.95 177.54 1jt7 s PHE 108 N 1.64 2.46 0.04 -1.98 0.40 -1.26 -0.77 117.98 118.52 1jt7 s PHE 108 Ca 0.18 -0.49 -0.27 0.00 -0.60 0.00 0.00 56.93 55.76 1jt7 s PHE 108 Cb -0.15 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 1jt7 s PHE 108 CO 0.09 0.53 0.84 -1.17 0.70 0.00 0.00 175.22 176.20 1jt7 s LEU 109 N -3.66 4.43 0.01 -0.37 2.96 -0.08 -4.68 118.68 117.29 1jt7 s LEU 109 Ca 0.34 1.53 -0.29 0.00 -0.22 0.00 0.00 54.13 55.49 1jt7 s LEU 109 Cb 0.02 -3.35 0.07 0.00 0.50 0.00 0.00 46.19 43.44 1jt7 s LEU 109 CO 0.18 -0.06 0.67 -0.83 -1.32 0.00 0.00 176.35 174.99 1jt7 s GLY 110 N 0.22 -0.58 -0.06 7.98 0.00 -1.26 -4.42 107.32 109.20 1jt7 s GLY 110 Ca 0.42 1.10 0.04 0.00 0.00 0.00 0.00 44.72 46.29 1jt7 s GLY 110 CO 0.25 0.72 -0.20 1.08 0.00 0.00 0.00 173.10 174.94 1jt7 s LEU 111 N -1.66 1.96 0.92 0.66 1.43 -0.71 -1.17 118.68 120.11 1jt7 s LEU 111 Ca -0.07 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 1jt7 s LEU 111 Cb -0.00 -1.16 0.15 0.00 0.03 0.00 0.00 46.19 45.20 1jt7 s LEU 111 CO 0.03 0.16 1.16 -0.54 0.23 0.00 0.00 176.35 177.39 1jt7 s LYS 112 N 0.14 1.06 0.57 1.70 1.02 0.21 -4.46 119.74 119.97 1jt7 s LYS 112 Ca -0.09 0.17 0.28 0.00 0.02 0.00 0.00 55.97 56.35 1jt7 s LYS 112 Cb -0.14 -1.84 1.69 0.00 -0.52 0.00 0.00 37.83 37.02 1jt7 s LYS 112 CO 0.04 -2.23 2.21 0.87 -0.92 0.00 0.00 175.35 175.32 1jt7 h LYS 113 N -1.52 0.00 -0.11 1.68 1.57 -1.88 -1.66 116.57 114.64 1jt7 h LYS 113 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1jt7 h LYS 113 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1jt7 h LYS 113 CO 0.58 0.03 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 1jt7 n ASN 114 N -3.88 1.11 0.00 0.86 0.23 -1.26 -4.64 115.26 107.68 1jt7 n ASN 114 Ca -0.03 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 1jt7 n ASN 114 Cb 0.11 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1jt7 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jt7 n GLY 115 N 1.01 0.77 3.86 4.83 0.00 -0.62 -4.99 105.19 110.03 1jt7 n GLY 115 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1jt7 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jt7 s SER 116 N -2.58 6.74 0.45 1.61 1.04 -1.26 -0.36 113.70 119.34 1jt7 s SER 116 Ca 0.00 0.97 -0.23 0.00 0.48 0.00 0.00 55.95 57.17 1jt7 s SER 116 Cb 0.00 -2.25 -0.08 0.00 0.10 0.00 0.00 66.02 63.80 1jt7 s SER 116 CO 0.00 0.09 1.14 0.00 0.98 0.00 0.00 173.24 175.45 1jt7 s LYS 118 N -2.66 3.84 0.20 0.00 1.02 -0.31 -4.82 119.74 116.99 1jt7 s LYS 118 Ca 0.62 0.43 -0.27 0.00 0.02 0.00 0.00 55.97 56.78 1jt7 s LYS 118 Cb -0.27 -2.49 -0.08 0.00 -0.52 0.00 0.00 37.83 34.47 1jt7 s LYS 118 CO 0.33 0.13 0.83 0.50 -0.92 0.00 0.00 175.35 176.22 1jt7 s ARG 119 N -3.31 4.65 0.08 1.68 3.52 -1.26 -4.68 118.95 119.62 1jt7 s ARG 119 Ca 0.50 1.26 -0.15 0.00 -0.13 0.00 0.00 55.73 57.21 1jt7 s ARG 119 Cb -0.10 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1jt7 s ARG 119 CO 0.24 0.54 0.85 0.41 -0.81 0.00 0.00 175.30 176.53 1jt7 n GLY 120 N 1.49 -1.56 0.18 8.12 0.00 0.03 -0.02 105.19 113.42 1jt7 n GLY 120 Ca -0.04 0.64 0.13 0.00 0.00 0.00 0.00 46.02 46.75 1jt7 n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jt7 h PRO 121 N 0.00 0.00 0.00 1.61 0.11 -1.89 -1.34 132.00 130.50 1jt7 h PRO 121 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1jt7 h PRO 121 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1jt7 h PRO 121 CO -0.46 0.00 -0.28 0.54 -0.21 0.00 0.00 178.00 177.58 1jt7 n ARG 122 N -2.39 0.01 -3.39 1.05 5.12 0.98 -4.87 116.66 113.17 1jt7 n ARG 122 Ca -0.00 0.01 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 1jt7 n ARG 122 Cb 0.13 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 29.90 1jt7 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jt7 s THR 123 N -3.01 5.09 -0.10 0.55 -4.23 -0.50 -4.96 115.64 108.48 1jt7 s THR 123 Ca 0.12 -0.24 -0.31 0.00 -1.18 0.00 0.00 61.69 60.08 1jt7 s THR 123 Cb 0.18 -3.80 0.12 0.00 1.34 0.00 0.00 72.50 70.34 1jt7 s THR 123 CO 0.63 -0.42 1.01 -1.38 -0.54 0.00 0.00 174.62 173.92 1jt7 s HIS 124 N -2.18 -0.28 0.35 3.99 -3.43 -1.26 -4.81 115.29 107.68 1jt7 s HIS 124 Ca 0.41 0.25 -0.28 0.00 -0.80 0.00 0.00 55.06 54.65 1jt7 s HIS 124 Cb -0.10 0.51 -0.12 0.00 -1.43 0.00 0.00 32.58 31.44 1jt7 s HIS 124 CO 0.33 -0.39 1.42 0.66 -2.00 0.00 0.00 174.74 174.76 1jt7 n TYR 125 N 0.02 2.70 0.00 0.38 4.01 -1.26 -2.60 117.16 120.41 1jt7 n TYR 125 Ca -0.06 0.47 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1jt7 n TYR 125 Cb 0.60 -2.49 0.00 0.00 -0.31 0.00 0.00 39.34 37.14 1jt7 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jt7 n GLY 126 N 0.73 2.97 3.85 2.72 0.00 -1.26 -5.08 105.19 109.12 1jt7 n GLY 126 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1jt7 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jt7 s GLN 127 N -0.59 3.92 0.24 1.61 -0.21 -1.07 -4.97 119.66 118.59 1jt7 s GLN 127 Ca 0.00 0.83 0.16 0.00 0.02 0.00 0.00 55.36 56.37 1jt7 s GLN 127 Cb 0.00 -2.21 0.03 0.00 1.00 0.00 0.00 33.01 31.82 1jt7 s GLN 127 CO 0.00 -0.18 1.32 0.87 -2.12 0.00 0.00 175.29 175.17 1jt7 h LYS 128 N 1.10 0.00 -0.11 2.91 1.79 -1.97 -3.31 116.57 116.98 1jt7 h LYS 128 Ca -0.47 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.03 1jt7 h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1jt7 h LYS 128 CO 0.62 0.45 0.11 0.00 -1.08 0.00 0.00 179.45 179.55 1jt7 h ALA 129 N 1.50 1.81 -0.00 3.86 0.00 -1.94 -2.31 119.26 122.17 1jt7 h ALA 129 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jt7 h ALA 129 Cb 1.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1jt7 h ALA 129 CO 0.06 -0.17 -0.23 0.44 0.00 0.00 0.00 179.25 179.35 1jt7 n ILE 130 N -4.01 0.00 -3.02 0.00 -5.35 -1.24 -1.74 119.36 104.00 1jt7 n ILE 130 Ca -0.00 -0.07 -0.41 0.00 -0.27 0.00 0.00 62.75 62.00 1jt7 n ILE 130 Cb 0.22 0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 38.18 1jt7 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jt7 s LEU 131 N -2.64 4.08 0.15 7.28 1.43 -0.87 -4.42 118.68 123.70 1jt7 s LEU 131 Ca 0.22 0.73 0.11 0.00 -1.03 0.00 0.00 54.13 54.17 1jt7 s LEU 131 Cb 0.19 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1jt7 s LEU 131 CO 0.54 -0.48 -0.26 -0.36 0.23 0.00 0.00 176.35 176.02 1jt7 s PHE 132 N 2.71 2.31 -0.20 0.29 0.40 -0.47 -2.39 117.98 120.62 1jt7 s PHE 132 Ca 0.30 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1jt7 s PHE 132 Cb -0.15 -1.21 0.04 0.00 0.51 0.00 0.00 43.02 42.21 1jt7 s PHE 132 CO 0.10 0.39 -0.10 -1.17 0.70 0.00 0.00 175.22 175.14 1jt7 s LEU 133 N -2.27 2.27 -0.13 -0.37 2.96 0.23 -0.53 118.68 120.83 1jt7 s LEU 133 Ca 0.16 -0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 52.90 1jt7 s LEU 133 Cb -0.09 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 1jt7 s LEU 133 CO 0.07 -0.15 1.36 -2.16 -1.32 0.00 0.00 176.35 174.16 1jt7 s PRO 134 N 1.40 4.22 0.13 0.98 0.04 -1.26 -1.42 135.00 139.09 1jt7 s PRO 134 Ca -0.01 1.80 0.08 0.00 0.04 0.00 0.00 61.00 62.91 1jt7 s PRO 134 Cb -0.16 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1jt7 s PRO 134 CO -0.08 -0.73 -0.12 -0.51 0.04 0.00 0.00 177.00 175.60 1jt7 s LEU 135 N 3.57 2.95 0.55 -3.56 1.43 0.14 -4.90 118.68 118.86 1jt7 s LEU 135 Ca 0.60 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 1jt7 s LEU 135 Cb -0.25 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1jt7 s LEU 135 CO 0.19 0.16 1.28 -2.16 0.23 0.00 0.00 176.35 176.05 1jt7 s PRO 136 N -2.35 3.18 0.00 1.29 0.04 -1.26 0.18 135.00 136.09 1jt7 s PRO 136 Ca 0.21 2.05 0.31 0.00 0.04 0.00 0.00 61.00 63.61 1jt7 s PRO 136 Cb -0.10 -2.19 1.62 0.00 0.04 0.00 0.00 34.50 33.86 1jt7 s PRO 136 CO 0.13 -1.10 2.06 0.28 0.04 0.00 0.00 177.00 178.42