#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oz7 s LEU 3 N -2.91 2.95 0.19 0.00 1.43 -1.26 -4.92 118.68 114.15 1oz7 s LEU 3 Ca 0.09 1.54 -0.33 0.00 -1.03 0.00 0.00 54.13 54.41 1oz7 s LEU 3 Cb 0.06 -4.32 -0.15 0.00 0.03 0.00 0.00 46.19 41.81 1oz7 s LEU 3 CO -0.08 -1.68 1.29 -2.65 0.23 0.00 0.00 176.35 173.46 1oz7 n PRO 4 N -3.27 1.51 -1.94 1.29 -0.02 -1.26 -2.29 135.00 129.03 1oz7 n PRO 4 Ca 0.07 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1oz7 n PRO 4 Cb 0.54 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 1oz7 n PRO 4 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1oz7 n ASP 5 N 2.19 -2.52 -3.87 2.55 2.03 -1.26 -5.04 116.55 110.64 1oz7 n ASP 5 Ca 0.14 0.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.24 1oz7 n ASP 5 Cb 0.27 -1.64 -0.17 0.00 -0.72 0.00 0.00 41.12 38.85 1oz7 n ASP 5 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1oz7 s TRP 6 N -2.26 1.04 0.50 -0.67 0.52 -0.97 -4.73 118.94 112.38 1oz7 s TRP 6 Ca 0.00 -0.41 -0.19 0.00 0.02 0.00 0.00 56.10 55.53 1oz7 s TRP 6 Cb 0.00 -0.94 -0.08 0.00 -1.15 0.00 0.00 33.47 31.30 1oz7 s TRP 6 CO 0.00 -0.35 1.01 -1.12 0.02 0.00 0.00 176.95 176.50 1oz7 s SER 7 N 1.50 6.46 0.01 2.95 0.01 0.15 -4.70 113.70 120.08 1oz7 s SER 7 Ca -0.01 1.76 0.03 0.00 1.31 0.00 0.00 55.95 59.04 1oz7 s SER 7 Cb -0.13 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 1oz7 s SER 7 CO -0.04 -0.70 -0.05 -0.69 0.41 0.00 0.00 173.24 172.17 1oz7 s VAL 8 N -2.28 3.77 -0.29 3.43 1.01 -1.26 -0.54 120.40 124.24 1oz7 s VAL 8 Ca 0.63 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1oz7 s VAL 8 Cb -0.13 -2.66 0.17 0.00 0.00 0.00 0.00 36.38 33.76 1oz7 s VAL 8 CO 0.24 0.37 1.08 -0.47 0.00 0.00 0.00 175.10 176.33 1oz7 s TYR 9 N -1.03 -0.40 -1.78 5.22 5.04 -0.69 -4.99 117.35 118.72 1oz7 s TYR 9 Ca 0.18 0.78 -0.16 0.00 -2.44 0.00 0.00 57.07 55.42 1oz7 s TYR 9 Cb -0.11 0.24 0.16 0.00 0.35 0.00 0.00 41.96 42.60 1oz7 s TYR 9 CO 0.09 -0.20 0.41 0.39 -1.34 0.00 0.00 175.55 174.90 1oz7 n GLU 10 N 3.68 -0.78 -1.07 4.97 -0.58 -1.26 -0.07 120.64 125.53 1oz7 n GLU 10 Ca -0.17 0.12 -0.02 0.00 -0.42 0.00 0.00 57.16 56.68 1oz7 n GLU 10 Cb 0.57 -4.35 -0.01 0.00 -0.57 0.00 0.00 31.44 27.08 1oz7 n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oz7 n GLY 11 N -1.53 0.57 3.24 0.62 0.00 -1.26 -5.03 105.19 101.79 1oz7 n GLY 11 Ca -0.02 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1oz7 n GLY 11 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oz7 s TYR 12 N -2.05 1.50 -0.08 1.61 2.02 0.90 -1.08 117.35 120.17 1oz7 s TYR 12 Ca 0.00 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.24 1oz7 s TYR 12 Cb 0.00 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1oz7 s TYR 12 CO 0.00 0.15 -0.06 0.00 -1.57 0.00 0.00 175.55 174.07 1oz7 s TYR 14 N -0.63 1.12 -0.01 0.00 1.51 0.30 -2.64 117.35 117.00 1oz7 s TYR 14 Ca 0.10 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1oz7 s TYR 14 Cb -0.12 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1oz7 s TYR 14 CO 0.02 -0.15 -0.08 0.21 -1.11 0.00 0.00 175.55 174.45 1oz7 s LYS 15 N 0.32 0.66 -0.01 -0.62 2.20 -1.15 0.32 119.74 121.46 1oz7 s LYS 15 Ca -0.06 -0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 55.27 1oz7 s LYS 15 Cb -0.11 -0.64 -0.04 0.00 -1.51 0.00 0.00 37.83 35.54 1oz7 s LYS 15 CO 0.01 0.15 0.14 0.08 -0.36 0.00 0.00 175.35 175.37 1oz7 s VAL 16 N -0.08 5.15 0.03 4.02 1.01 -1.26 -2.18 120.40 127.09 1oz7 s VAL 16 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1oz7 s VAL 16 Cb -0.04 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1oz7 s VAL 16 CO -0.00 0.34 -0.13 -0.36 0.00 0.00 0.00 175.10 174.95 1oz7 s PHE 17 N -1.27 1.11 -2.46 5.22 0.08 -0.71 -5.02 117.98 114.92 1oz7 s PHE 17 Ca 0.25 -0.34 0.23 0.00 0.12 0.00 0.00 56.93 57.19 1oz7 s PHE 17 Cb -0.12 -0.66 0.55 0.00 -0.57 0.00 0.00 43.02 42.21 1oz7 s PHE 17 CO 0.17 0.02 1.46 1.63 -0.10 0.00 0.00 175.22 178.39 1oz7 n LYS 18 N 2.00 2.15 -1.09 0.44 5.02 -1.26 -3.46 118.16 121.96 1oz7 n LYS 18 Ca -0.18 -1.73 -0.31 0.00 -2.02 0.00 0.00 58.31 54.08 1oz7 n LYS 18 Cb 0.55 -1.46 0.13 0.00 -0.02 0.00 0.00 35.03 34.22 1oz7 n LYS 18 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1oz7 s GLU 19 N -1.69 1.62 -0.27 1.97 8.01 -1.26 -4.89 118.70 122.18 1oz7 s GLU 19 Ca 0.35 1.16 0.02 0.00 0.01 0.00 0.00 54.97 56.51 1oz7 s GLU 19 Cb 0.20 -1.82 0.06 0.00 -4.31 0.00 0.00 34.13 28.26 1oz7 s GLU 19 CO 0.29 -2.09 -0.08 1.03 0.01 0.00 0.00 175.26 174.43 1oz7 s ARG 20 N -4.84 2.21 0.16 1.61 1.81 -1.26 -3.78 118.95 114.86 1oz7 s ARG 20 Ca 0.63 -1.38 0.02 0.00 -1.72 0.00 0.00 55.73 53.28 1oz7 s ARG 20 Cb -0.19 -2.96 -0.05 0.00 -0.45 0.00 0.00 34.95 31.30 1oz7 s ARG 20 CO 0.57 -0.61 -0.00 -1.64 -0.68 0.00 0.00 175.30 172.94 1oz7 s MET 21 N 1.11 1.06 0.68 3.54 -1.94 -1.04 -4.74 119.30 117.96 1oz7 s MET 21 Ca -0.07 -1.50 -0.11 0.00 -1.71 0.00 0.00 55.69 52.30 1oz7 s MET 21 Cb -0.20 -0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.41 1oz7 s MET 21 CO -0.05 -0.12 1.07 0.54 -0.01 0.00 0.00 175.02 176.45 1oz7 s ASN 22 N -3.15 5.65 0.09 3.03 2.20 -1.24 -1.19 114.94 120.33 1oz7 s ASN 22 Ca 0.22 1.18 -0.21 0.00 -0.94 0.00 0.00 52.86 53.11 1oz7 s ASN 22 Cb 0.06 -2.05 -0.06 0.00 -2.00 0.00 0.00 41.25 37.19 1oz7 s ASN 22 CO 0.03 -1.21 1.36 -0.25 -2.94 0.00 0.00 177.10 174.09 1oz7 h TRP 23 N -0.54 -1.18 -0.64 1.54 7.01 -1.61 -0.59 115.95 119.93 1oz7 h TRP 23 Ca -0.45 0.07 0.11 0.00 2.11 0.00 0.00 58.89 60.73 1oz7 h TRP 23 Cb 1.24 0.57 -0.12 0.00 -2.10 0.00 0.00 29.16 28.75 1oz7 h TRP 23 CO 0.54 -0.29 -0.35 0.00 -2.79 0.00 0.00 178.44 175.55 1oz7 h ALA 24 N -0.29 -0.04 -0.55 2.65 0.00 -1.93 0.27 119.26 119.37 1oz7 h ALA 24 Ca 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1oz7 h ALA 24 Cb 0.35 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1oz7 h ALA 24 CO -0.48 -0.68 0.15 -0.44 0.00 0.00 0.00 179.25 177.80 1oz7 h ASP 25 N -0.15 0.78 -0.35 0.00 3.32 -1.84 -2.19 116.42 116.00 1oz7 h ASP 25 Ca 0.24 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1oz7 h ASP 25 Cb 0.56 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1oz7 h ASP 25 CO -0.72 0.75 0.19 0.00 -1.72 0.00 0.00 179.24 177.74 1oz7 h ALA 26 N 1.35 0.43 -0.04 3.45 0.00 0.62 0.27 119.26 125.34 1oz7 h ALA 26 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1oz7 h ALA 26 Cb 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1oz7 h ALA 26 CO -0.00 -0.18 0.02 1.49 0.00 0.00 0.00 179.25 180.58 1oz7 h GLU 27 N 0.38 0.04 -0.25 0.00 4.57 -0.99 -0.59 114.58 117.74 1oz7 h GLU 27 Ca 0.14 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 1oz7 h GLU 27 Cb 0.03 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1oz7 h GLU 27 CO -0.08 0.03 0.05 -0.22 -1.18 0.00 0.00 179.01 177.60 1oz7 h LYS 28 N 0.04 0.14 -0.78 1.92 1.63 -0.97 -0.37 116.57 118.18 1oz7 h LYS 28 Ca 0.02 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1oz7 h LYS 28 Cb 0.00 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.54 1oz7 h LYS 28 CO -0.01 0.09 0.47 0.35 -3.45 0.00 0.00 179.45 176.91 1oz7 h PHE 29 N 0.15 0.87 0.31 1.91 3.04 -0.24 -1.81 116.94 121.17 1oz7 h PHE 29 Ca 0.12 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1oz7 h PHE 29 Cb 0.12 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.35 1oz7 h PHE 29 CO -0.16 0.44 -0.15 0.00 -2.02 0.00 0.00 178.31 176.42 1oz7 h THR 31 N -0.47 0.49 0.00 0.00 1.35 -0.59 0.32 112.91 114.01 1oz7 h THR 31 Ca -0.04 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.70 1oz7 h THR 31 Cb 0.35 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.38 1oz7 h THR 31 CO 0.07 0.00 -0.58 0.11 -0.25 0.00 0.00 175.52 174.87 1oz7 h LYS 32 N 0.00 0.00 -0.56 4.72 1.57 -0.63 -3.35 116.57 118.32 1oz7 h LYS 32 Ca 0.28 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1oz7 h LYS 32 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1oz7 h LYS 32 CO -0.00 0.58 0.05 1.96 -0.57 0.00 0.00 179.45 181.47 1oz7 h GLN 33 N 0.00 0.92 -2.49 3.15 1.08 -0.49 -3.47 115.11 113.82 1oz7 h GLN 33 Ca -0.01 -0.24 0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1oz7 h GLN 33 Cb 1.43 -0.11 -0.15 0.00 -0.05 0.00 0.00 27.48 28.60 1oz7 h GLN 33 CO 0.08 0.88 0.39 -1.58 -0.95 0.00 0.00 178.83 177.64 1oz7 s HIS 34 N -5.09 -0.43 0.51 2.96 2.46 -1.25 -5.09 115.29 109.37 1oz7 s HIS 34 Ca -0.10 0.31 -0.23 0.00 0.47 0.00 0.00 55.06 55.50 1oz7 s HIS 34 Cb 0.15 0.54 -0.06 0.00 -0.13 0.00 0.00 32.58 33.07 1oz7 s HIS 34 CO 0.83 -0.64 1.38 0.15 -2.47 0.00 0.00 174.74 173.98 1oz7 s LYS 35 N -3.17 3.37 -0.87 2.88 3.01 -1.26 -2.18 119.74 121.52 1oz7 s LYS 35 Ca 0.03 2.29 0.00 0.00 -1.01 0.00 0.00 55.97 57.27 1oz7 s LYS 35 Cb -0.01 -2.41 0.00 0.00 -1.01 0.00 0.00 37.83 34.40 1oz7 s LYS 35 CO -0.09 -1.03 0.00 -0.25 0.51 0.00 0.00 175.35 174.49 1oz7 n ASP 36 N -0.70 -5.56 -4.80 2.83 8.00 -1.26 -4.88 116.55 110.19 1oz7 n ASP 36 Ca 0.08 0.20 -0.37 0.00 0.71 0.00 0.00 54.79 55.42 1oz7 n ASP 36 Cb 0.44 -3.90 -0.06 0.00 -0.02 0.00 0.00 41.12 37.57 1oz7 n ASP 36 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1oz7 s GLY 37 N -2.23 2.71 0.27 0.44 0.00 -0.92 -4.35 107.32 103.24 1oz7 s GLY 37 Ca 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 1oz7 s GLY 37 CO 0.00 0.73 0.49 0.30 0.00 0.00 0.00 173.10 174.62 1oz7 s HIS 38 N -1.55 0.52 0.47 1.90 3.76 -0.52 -3.28 115.29 116.59 1oz7 s HIS 38 Ca 0.46 -0.87 -0.24 0.00 -0.15 0.00 0.00 55.06 54.25 1oz7 s HIS 38 Cb -0.18 0.15 -0.08 0.00 1.11 0.00 0.00 32.58 33.58 1oz7 s HIS 38 CO 0.22 -1.05 1.37 1.28 -0.85 0.00 0.00 174.74 175.71 1oz7 n LEU 39 N -0.43 4.92 -4.64 0.89 4.77 -1.26 0.25 117.00 121.49 1oz7 n LEU 39 Ca -0.01 1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 56.64 1oz7 n LEU 39 Cb 0.62 -1.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1oz7 n LEU 39 CO 0.25 -0.40 0.69 0.55 -1.33 0.00 0.00 177.39 177.14 1oz7 n VAL 40 N -0.42 2.71 -4.54 4.08 3.14 0.21 -4.22 118.33 119.30 1oz7 n VAL 40 Ca 0.07 -0.50 -0.28 0.00 -2.96 0.00 0.00 64.34 60.67 1oz7 n VAL 40 Cb 0.42 -1.31 -0.13 0.00 -1.06 0.00 0.00 33.84 31.76 1oz7 n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1oz7 s SER 41 N -0.75 3.09 -0.10 6.55 1.04 -1.26 -1.17 113.70 121.09 1oz7 s SER 41 Ca 0.65 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1oz7 s SER 41 Cb -0.52 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.39 1oz7 s SER 41 CO 0.55 0.18 -0.20 -0.36 0.98 0.00 0.00 173.24 174.40 1oz7 s PHE 42 N -0.98 2.22 0.00 5.02 0.08 -1.26 -4.95 117.98 118.10 1oz7 s PHE 42 Ca 0.12 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.23 1oz7 s PHE 42 Cb -0.10 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1oz7 s PHE 42 CO 0.04 -0.42 0.45 0.54 -0.10 0.00 0.00 175.22 175.74 1oz7 n ARG 43 N 3.75 -0.54 -2.52 0.44 1.74 -1.26 -5.02 116.66 113.26 1oz7 n ARG 43 Ca -0.20 -0.48 -0.05 0.00 -0.77 0.00 0.00 57.85 56.34 1oz7 n ARG 43 Cb 0.52 -0.91 0.01 0.00 -1.02 0.00 0.00 32.46 31.07 1oz7 n ARG 43 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1oz7 n ASN 44 N -0.03 -2.72 -1.01 0.55 5.15 -1.26 -4.86 115.26 111.07 1oz7 n ASN 44 Ca 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1oz7 n ASN 44 Cb 0.07 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 37.76 1oz7 n ASN 44 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1oz7 n SER 45 N 0.66 2.97 -1.99 1.20 7.64 -1.26 -4.57 113.62 118.27 1oz7 n SER 45 Ca -0.02 -1.97 -0.16 0.00 1.01 0.00 0.00 58.87 57.73 1oz7 n SER 45 Cb 0.53 -0.50 0.01 0.00 -1.01 0.00 0.00 64.21 63.23 1oz7 n SER 45 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1oz7 n LYS 46 N 0.52 -2.15 -0.07 1.43 4.76 -1.26 -4.89 118.16 116.50 1oz7 n LYS 46 Ca 0.00 0.74 -0.12 0.00 -2.87 0.00 0.00 58.31 56.06 1oz7 n LYS 46 Cb 0.49 -5.12 0.01 0.00 -1.84 0.00 0.00 35.03 28.57 1oz7 n LYS 46 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1oz7 h GLU 47 N -0.38 0.80 -0.02 1.97 5.08 -1.97 -2.95 114.58 117.11 1oz7 h GLU 47 Ca -0.38 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 1oz7 h GLU 47 Cb 1.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1oz7 h GLU 47 CO 0.44 1.09 -0.04 0.28 -1.00 0.00 0.00 179.01 179.77 1oz7 h VAL 48 N 0.64 0.00 -0.55 3.13 2.07 -1.94 2.10 116.25 121.70 1oz7 h VAL 48 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1oz7 h VAL 48 Cb 1.03 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.71 1oz7 h VAL 48 CO 0.10 0.00 -0.50 0.44 0.02 0.00 0.00 177.57 177.63 1oz7 h ASP 49 N -0.04 -1.71 0.25 0.57 3.32 -1.97 0.57 116.42 117.41 1oz7 h ASP 49 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1oz7 h ASP 49 Cb 0.05 0.74 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1oz7 h ASP 49 CO -0.04 -0.35 -0.45 0.15 -1.72 0.00 0.00 179.24 176.83 1oz7 h PHE 50 N -0.28 -1.27 -0.78 4.55 3.57 -1.20 2.23 116.94 123.76 1oz7 h PHE 50 Ca 0.13 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.83 1oz7 h PHE 50 Cb 0.56 0.52 -0.11 0.00 2.79 0.00 0.00 35.95 39.71 1oz7 h PHE 50 CO -0.75 -0.54 0.23 0.28 -2.23 0.00 0.00 178.31 175.30 1oz7 h VAL 51 N -0.75 0.51 0.00 1.41 2.07 0.41 1.47 116.25 121.38 1oz7 h VAL 51 Ca -0.03 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 1oz7 h VAL 51 Cb 0.70 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1oz7 h VAL 51 CO -0.16 0.06 -0.87 0.16 0.02 0.00 0.00 177.57 176.78 1oz7 h ILE 52 N 0.31 0.98 0.00 4.57 3.07 0.64 0.78 117.51 127.85 1oz7 h ILE 52 Ca 0.45 -2.47 -0.09 0.00 1.55 0.00 0.00 64.86 64.30 1oz7 h ILE 52 Cb 0.78 2.44 -0.02 0.00 -0.27 0.00 0.00 36.82 39.75 1oz7 h ILE 52 CO -0.51 0.56 -1.53 -1.54 -1.05 0.00 0.00 178.15 174.07 1oz7 n SER 53 N -3.17 0.55 0.00 2.16 3.41 0.75 -4.11 113.62 113.20 1oz7 n SER 53 Ca -0.02 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1oz7 n SER 53 Cb 0.82 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 1oz7 n SER 53 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1oz7 n LEU 54 N -2.64 0.61 -1.56 1.04 7.99 0.49 -4.47 117.00 118.47 1oz7 n LEU 54 Ca -0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.82 1oz7 n LEU 54 Cb 0.70 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 44.08 1oz7 n LEU 54 CO 0.43 -0.01 0.88 0.00 -1.51 0.00 0.00 177.39 177.18 1oz7 n ALA 55 N -2.63 3.97 0.00 -1.18 0.00 -0.62 -3.77 120.51 116.28 1oz7 n ALA 55 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1oz7 n ALA 55 Cb 0.33 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1oz7 n ALA 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1oz7 n PHE 56 N -0.05 0.00 0.16 0.00 1.16 0.22 -4.65 117.46 114.31 1oz7 n PHE 56 Ca 0.25 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.92 1oz7 n PHE 56 Cb 0.91 0.00 0.52 0.00 -1.61 0.00 0.00 39.48 39.29 1oz7 n PHE 56 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1oz7 n PRO 57 N -1.17 0.12 -0.61 3.97 -0.02 -1.25 0.29 135.00 136.33 1oz7 n PRO 57 Ca 0.00 0.62 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 1oz7 n PRO 57 Cb 0.00 -2.01 0.28 0.00 -0.02 0.00 0.00 33.50 31.75 1oz7 n PRO 57 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1oz7 n MET 58 N -2.19 3.67 -4.02 -0.52 2.81 -1.26 -4.88 117.12 110.72 1oz7 n MET 58 Ca -0.01 -2.18 -0.08 0.00 -1.81 0.00 0.00 57.70 53.62 1oz7 n MET 58 Cb 0.13 -2.01 -0.09 0.00 -0.71 0.00 0.00 33.22 30.53 1oz7 n MET 58 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1oz7 s LEU 59 N -1.88 1.92 0.00 4.03 2.96 0.82 -4.86 118.68 121.67 1oz7 s LEU 59 Ca 0.38 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 1oz7 s LEU 59 Cb 0.29 0.55 0.00 0.00 0.50 0.00 0.00 46.19 47.52 1oz7 s LEU 59 CO 0.11 -0.69 0.54 1.17 -1.32 0.00 0.00 176.35 176.17 1oz7 n LYS 60 N -0.00 0.00 -2.92 1.98 4.81 -1.26 -4.88 118.16 115.89 1oz7 n LYS 60 Ca -0.12 0.12 -0.26 0.00 -0.87 0.00 0.00 58.31 57.17 1oz7 n LYS 60 Cb 0.62 -1.54 0.03 0.00 0.02 0.00 0.00 35.03 34.16 1oz7 n LYS 60 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1oz7 n ASN 61 N -1.04 -4.42 0.00 3.14 5.15 -1.26 -4.98 115.26 111.85 1oz7 n ASN 61 Ca 0.00 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1oz7 n ASN 61 Cb 0.04 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.04 1oz7 n ASN 61 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1oz7 n ASP 62 N 0.28 0.00 -4.12 1.20 5.75 -1.26 -4.90 116.55 113.50 1oz7 n ASP 62 Ca -0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.35 1oz7 n ASP 62 Cb 0.52 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.52 1oz7 n ASP 62 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1oz7 s LEU 63 N 0.00 5.41 0.03 -2.12 1.02 -1.21 0.67 118.68 122.48 1oz7 s LEU 63 Ca 0.00 -2.94 0.04 0.00 0.02 0.00 0.00 54.13 51.24 1oz7 s LEU 63 Cb 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 1oz7 s LEU 63 CO 0.00 -0.36 -0.06 0.68 0.02 0.00 0.00 176.35 176.62 1oz7 s VAL 64 N -0.20 3.67 0.51 -1.59 -7.23 -0.95 -2.98 120.40 111.63 1oz7 s VAL 64 Ca 0.18 -0.87 -0.21 0.00 -1.81 0.00 0.00 61.98 59.28 1oz7 s VAL 64 Cb -0.18 -2.63 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 1oz7 s VAL 64 CO -0.05 0.32 1.14 0.26 -0.31 0.00 0.00 175.10 176.46 1oz7 s TRP 65 N -1.07 2.76 -0.06 2.82 0.23 -0.44 -1.74 118.94 121.44 1oz7 s TRP 65 Ca 0.19 1.54 0.04 0.00 -2.03 0.00 0.00 56.10 55.85 1oz7 s TRP 65 Cb -0.11 -3.31 -0.02 0.00 0.03 0.00 0.00 33.47 30.05 1oz7 s TRP 65 CO 0.10 -1.52 -0.19 0.42 0.96 0.00 0.00 176.95 176.72 1oz7 s ILE 66 N -1.69 2.63 -0.31 2.03 1.01 -1.01 -4.53 121.20 119.32 1oz7 s ILE 66 Ca 0.69 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 1oz7 s ILE 66 Cb -0.25 -2.01 -0.15 0.00 0.01 0.00 0.00 42.46 40.06 1oz7 s ILE 66 CO 0.30 0.57 2.53 0.61 0.00 0.00 0.00 174.94 178.95 1oz7 n GLY 67 N 2.66 2.65 2.83 6.18 0.00 -0.32 -4.35 105.19 114.84 1oz7 n GLY 67 Ca -0.17 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 1oz7 n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oz7 s LEU 68 N 0.03 -0.14 -0.48 0.99 1.98 -1.26 -4.94 118.68 114.87 1oz7 s LEU 68 Ca 0.46 0.09 -0.03 0.00 -2.89 0.00 0.00 54.13 51.76 1oz7 s LEU 68 Cb 0.19 0.42 0.13 0.00 0.66 0.00 0.00 46.19 47.59 1oz7 s LEU 68 CO -0.01 -0.29 0.28 0.28 -1.89 0.00 0.00 176.35 174.72 1oz7 s THR 69 N 2.34 3.39 -1.57 3.68 -1.32 -1.26 -0.45 115.64 120.45 1oz7 s THR 69 Ca 0.05 -2.38 -0.11 0.00 -1.21 0.00 0.00 61.69 58.04 1oz7 s THR 69 Cb -0.14 -3.29 -0.07 0.00 -1.51 0.00 0.00 72.50 67.49 1oz7 s THR 69 CO -0.10 -0.75 2.81 -0.67 -2.21 0.00 0.00 174.62 173.70 1oz7 n ASP 70 N 4.20 7.78 -4.77 8.08 2.03 -1.11 -4.96 116.55 127.80 1oz7 n ASP 70 Ca 0.01 -2.61 -0.40 0.00 0.52 0.00 0.00 54.79 52.32 1oz7 n ASP 70 Cb 0.40 -1.55 -0.01 0.00 -0.72 0.00 0.00 41.12 39.23 1oz7 n ASP 70 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1oz7 s TYR 71 N 2.41 2.91 0.32 -0.67 -0.85 -1.26 -4.89 117.35 115.32 1oz7 s TYR 71 Ca 0.65 1.41 -0.28 0.00 -0.52 0.00 0.00 57.07 58.33 1oz7 s TYR 71 Cb 0.17 -3.68 -0.13 0.00 0.38 0.00 0.00 41.96 38.70 1oz7 s TYR 71 CO -0.06 -2.01 1.17 0.91 -1.52 0.00 0.00 175.55 174.04 1oz7 n TRP 72 N 0.43 1.84 -4.23 -3.49 7.02 -1.26 -4.99 117.44 112.76 1oz7 n TRP 72 Ca 0.02 0.62 -0.13 0.00 -1.02 0.00 0.00 57.50 56.99 1oz7 n TRP 72 Cb 0.43 -2.34 -0.10 0.00 -2.42 0.00 0.00 31.31 26.87 1oz7 n TRP 72 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1oz7 s ARG 73 N -1.75 0.99 0.44 -0.99 1.70 -1.26 -5.03 118.95 113.05 1oz7 s ARG 73 Ca 0.57 -1.42 0.23 0.00 -0.47 0.00 0.00 55.73 54.64 1oz7 s ARG 73 Cb -0.62 -0.49 0.92 0.00 -0.57 0.00 0.00 34.95 34.18 1oz7 s ARG 73 CO 0.61 0.04 1.83 -0.44 -1.08 0.00 0.00 175.30 176.27 1oz7 h ASP 74 N 2.83 0.00 -0.33 -2.89 5.19 -1.94 -3.18 116.42 116.10 1oz7 h ASP 74 Ca -0.36 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.14 1oz7 h ASP 74 Cb 1.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 1oz7 h ASP 74 CO 0.64 0.24 0.28 0.00 -3.12 0.00 0.00 179.24 177.28 1oz7 n ASN 76 N -4.08 1.21 -4.01 0.00 5.15 -1.20 -5.05 115.26 107.27 1oz7 n ASN 76 Ca 0.05 -1.54 -0.14 0.00 -0.60 0.00 0.00 54.58 52.35 1oz7 n ASN 76 Cb 0.45 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.57 1oz7 n ASN 76 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1oz7 s TRP 77 N -0.54 0.56 0.20 1.20 0.52 -1.19 -5.08 118.94 114.61 1oz7 s TRP 77 Ca 0.00 -0.33 -0.21 0.00 0.02 0.00 0.00 56.10 55.59 1oz7 s TRP 77 Cb 0.00 -0.35 0.04 0.00 -1.15 0.00 0.00 33.47 32.02 1oz7 s TRP 77 CO 0.00 -0.06 0.60 -1.83 0.02 0.00 0.00 176.95 175.69 1oz7 s GLU 78 N -0.96 1.43 0.35 4.98 1.03 -1.26 -4.75 118.70 119.52 1oz7 s GLU 78 Ca -0.05 -0.72 -0.25 0.00 0.03 0.00 0.00 54.97 53.98 1oz7 s GLU 78 Cb -0.07 0.57 -0.10 0.00 -0.80 0.00 0.00 34.13 33.74 1oz7 s GLU 78 CO 0.00 -0.63 0.97 -1.58 -1.33 0.00 0.00 175.26 172.69 1oz7 s TRP 79 N -3.83 3.54 0.23 4.83 0.52 -1.26 -4.94 118.94 118.03 1oz7 s TRP 79 Ca 0.06 1.73 0.29 0.00 0.02 0.00 0.00 56.10 58.19 1oz7 s TRP 79 Cb -0.02 -2.96 1.27 0.00 -1.15 0.00 0.00 33.47 30.60 1oz7 s TRP 79 CO -0.05 -0.03 1.96 0.66 0.02 0.00 0.00 176.95 179.52 1oz7 h SER 80 N 2.85 0.00 -0.38 2.95 4.64 -2.02 -2.30 113.55 119.30 1oz7 h SER 80 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1oz7 h SER 80 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1oz7 h SER 80 CO 0.64 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 1oz7 n ASP 81 N -3.35 3.45 0.00 4.97 3.85 -1.26 -4.90 116.55 119.30 1oz7 n ASP 81 Ca -0.00 -2.40 0.00 0.00 -0.71 0.00 0.00 54.79 51.67 1oz7 n ASP 81 Cb 0.33 -0.52 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 1oz7 n ASP 81 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1oz7 n GLY 82 N 0.62 0.12 3.77 6.12 0.00 -0.86 -4.96 105.19 109.99 1oz7 n GLY 82 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1oz7 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oz7 s ALA 83 N -1.29 3.15 0.53 4.61 0.00 -1.26 -4.95 121.76 122.54 1oz7 s ALA 83 Ca 0.00 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 1oz7 s ALA 83 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1oz7 s ALA 83 CO 0.00 -0.46 1.28 -0.65 0.00 0.00 0.00 175.76 175.93 1oz7 s GLN 84 N -2.30 3.31 -1.25 0.00 -0.21 -1.26 -4.19 119.66 113.76 1oz7 s GLN 84 Ca 0.57 2.03 -0.08 0.00 0.02 0.00 0.00 55.36 57.90 1oz7 s GLN 84 Cb -0.29 -2.26 0.19 0.00 1.00 0.00 0.00 33.01 31.65 1oz7 s GLN 84 CO 0.36 -0.99 1.85 -0.11 -2.12 0.00 0.00 175.29 174.29 1oz7 n LEU 85 N -0.94 6.75 0.00 2.90 7.94 -1.26 -4.81 117.00 127.59 1oz7 n LEU 85 Ca 0.10 -4.78 0.00 0.00 -1.11 0.00 0.00 56.01 50.22 1oz7 n LEU 85 Cb 0.47 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1oz7 n LEU 85 CO 0.50 1.50 0.00 -0.90 -1.11 0.00 0.00 177.39 177.38 1oz7 n ASP 86 N 3.18 0.00 -4.67 1.96 5.75 -1.26 -4.81 116.55 116.70 1oz7 n ASP 86 Ca 0.39 0.00 -0.46 0.00 -0.01 0.00 0.00 54.79 54.72 1oz7 n ASP 86 Cb 0.35 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 1oz7 n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oz7 n TYR 87 N 0.00 2.19 -4.14 2.11 4.19 -1.26 -4.99 117.16 115.25 1oz7 n TYR 87 Ca 0.00 0.36 -0.15 0.00 3.31 0.00 0.00 57.90 61.42 1oz7 n TYR 87 Cb 0.00 -2.49 -0.13 0.00 0.49 0.00 0.00 39.34 37.20 1oz7 n TYR 87 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 1oz7 s LYS 88 N 0.27 0.50 -0.12 2.98 0.00 -1.26 -5.05 119.74 117.06 1oz7 s LYS 88 Ca 0.74 -0.43 0.15 0.00 0.00 0.00 0.00 55.97 56.43 1oz7 s LYS 88 Cb -0.68 -0.41 0.33 0.00 0.00 0.00 0.00 37.83 37.08 1oz7 s LYS 88 CO 0.44 0.10 1.16 0.00 0.00 0.00 0.00 175.35 177.05 1oz7 n ALA 89 N 2.36 2.81 -2.18 0.59 0.00 -1.26 -5.06 120.51 117.77 1oz7 n ALA 89 Ca -0.17 -2.62 -0.29 0.00 0.00 0.00 0.00 53.44 50.36 1oz7 n ALA 89 Cb 0.57 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1oz7 n ALA 89 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1oz7 s TRP 90 N -2.00 3.54 -0.02 0.00 -2.14 -1.26 -5.02 118.94 112.03 1oz7 s TRP 90 Ca 0.31 0.97 -0.30 0.00 2.66 0.00 0.00 56.10 59.73 1oz7 s TRP 90 Cb 0.30 -2.42 -0.03 0.00 -3.10 0.00 0.00 33.47 28.23 1oz7 s TRP 90 CO -0.06 -0.28 1.07 0.34 -2.66 0.00 0.00 176.95 175.36 1oz7 s ASP 91 N -3.78 7.22 -0.08 -2.66 -1.08 -1.26 -4.92 116.67 110.11 1oz7 s ASP 91 Ca 0.50 1.73 0.11 0.00 -0.52 0.00 0.00 52.55 54.37 1oz7 s ASP 91 Cb -0.10 -2.57 -0.24 0.00 -1.46 0.00 0.00 42.92 38.55 1oz7 s ASP 91 CO 0.41 -0.40 0.53 0.59 0.52 0.00 0.00 175.17 176.82 1oz7 n ASN 92 N 4.40 0.93 0.25 -0.34 3.02 -1.26 -4.05 115.26 118.21 1oz7 n ASN 92 Ca 0.08 0.32 0.13 0.00 -0.03 0.00 0.00 54.58 55.08 1oz7 n ASN 92 Cb 0.49 -0.02 0.62 0.00 -0.61 0.00 0.00 39.78 40.26 1oz7 n ASN 92 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1oz7 h GLU 93 N 0.01 0.00 -7.06 3.52 4.39 -1.97 -3.43 114.58 110.04 1oz7 h GLU 93 Ca -0.34 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 58.91 1oz7 h GLU 93 Cb 2.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.69 1oz7 h GLU 93 CO 0.07 0.15 0.36 -0.98 -1.16 0.00 0.00 179.01 177.44 1oz7 s ARG 94 N -3.86 4.11 0.00 2.33 1.70 -1.26 0.19 118.95 122.16 1oz7 s ARG 94 Ca -0.01 1.21 0.00 0.00 -0.47 0.00 0.00 55.73 56.46 1oz7 s ARG 94 Cb 0.11 -2.18 0.00 0.00 -0.57 0.00 0.00 34.95 32.31 1oz7 s ARG 94 CO 0.59 -0.14 0.00 0.72 -1.08 0.00 0.00 175.30 175.39 1oz7 n HIS 95 N -0.69 0.00 -2.54 5.89 8.25 -1.23 -4.80 115.22 120.11 1oz7 n HIS 95 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 1oz7 n HIS 95 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 1oz7 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oz7 s PHE 97 N 0.61 2.66 -0.01 0.00 0.40 0.40 -1.33 117.98 120.70 1oz7 s PHE 97 Ca 0.54 1.54 -0.23 0.00 -0.60 0.00 0.00 56.93 58.18 1oz7 s PHE 97 Cb -0.27 -3.26 0.05 0.00 0.51 0.00 0.00 43.02 40.05 1oz7 s PHE 97 CO 0.30 -1.61 0.51 0.42 0.70 0.00 0.00 175.22 175.55 1oz7 s ILE 98 N -1.90 0.03 -0.21 0.64 1.01 0.76 -2.42 121.20 119.11 1oz7 s ILE 98 Ca 0.71 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 61.10 1oz7 s ILE 98 Cb -0.23 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1oz7 s ILE 98 CO 0.30 -0.13 -0.03 -0.47 0.00 0.00 0.00 174.94 174.62 1oz7 s TYR 99 N -1.56 2.98 -0.39 3.97 6.14 -0.71 0.43 117.35 128.21 1oz7 s TYR 99 Ca -0.10 -0.77 -0.14 0.00 0.64 0.00 0.00 57.07 56.70 1oz7 s TYR 99 Cb -0.02 -2.10 0.01 0.00 0.42 0.00 0.00 41.96 40.28 1oz7 s TYR 99 CO 0.05 -0.45 0.27 0.15 0.64 0.00 0.00 175.55 176.21 1oz7 s LYS 100 N 1.33 3.07 0.24 4.97 1.02 -0.78 -2.24 119.74 127.35 1oz7 s LYS 100 Ca 0.04 -0.94 -0.07 0.00 0.02 0.00 0.00 55.97 55.02 1oz7 s LYS 100 Cb -0.14 -3.89 0.24 0.00 -0.52 0.00 0.00 37.83 33.51 1oz7 s LYS 100 CO -0.01 -0.67 1.91 -0.91 -0.92 0.00 0.00 175.35 174.75 1oz7 h ASN 101 N 8.56 1.06 0.27 2.83 2.35 2.12 -0.18 115.58 132.59 1oz7 h ASN 101 Ca -0.28 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.42 1oz7 h ASN 101 Cb 1.13 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 1oz7 h ASN 101 CO 0.70 0.76 -0.12 0.71 -1.65 0.00 0.00 177.43 177.83 1oz7 h THR 102 N 1.25 0.72 -0.01 2.81 1.35 -1.91 -2.12 112.91 115.00 1oz7 h THR 102 Ca 0.35 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1oz7 h THR 102 Cb -0.13 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1oz7 h THR 102 CO -0.08 0.12 -0.57 0.47 -0.25 0.00 0.00 175.52 175.21 1oz7 n ASP 103 N -3.85 1.70 -3.99 5.36 8.00 -0.95 -4.99 116.55 117.82 1oz7 n ASP 103 Ca -0.02 -1.35 -0.41 0.00 0.71 0.00 0.00 54.79 53.72 1oz7 n ASP 103 Cb 0.22 0.61 0.02 0.00 -0.02 0.00 0.00 41.12 41.94 1oz7 n ASP 103 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1oz7 n ASN 104 N -0.39 -3.88 -3.62 -2.24 3.02 -0.12 -4.93 115.26 103.10 1oz7 n ASN 104 Ca 0.07 -1.21 -0.01 0.00 -0.03 0.00 0.00 54.58 53.40 1oz7 n ASN 104 Cb 0.41 -2.18 -0.01 0.00 -0.61 0.00 0.00 39.78 37.39 1oz7 n ASN 104 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1oz7 s GLN 105 N -7.02 0.45 0.83 3.52 0.74 -1.20 -5.05 119.66 111.93 1oz7 s GLN 105 Ca 0.43 -0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.50 1oz7 s GLN 105 Cb -0.21 0.17 0.12 0.00 1.10 0.00 0.00 33.01 34.19 1oz7 s GLN 105 CO 0.94 -0.21 1.17 -1.58 -0.55 0.00 0.00 175.29 175.07 1oz7 s TRP 106 N -2.53 2.31 -0.02 1.67 0.51 -1.26 -1.87 118.94 117.75 1oz7 s TRP 106 Ca 0.12 0.41 -0.29 0.00 -2.12 0.00 0.00 56.10 54.22 1oz7 s TRP 106 Cb 0.02 -3.60 0.09 0.00 -0.81 0.00 0.00 33.47 29.18 1oz7 s TRP 106 CO -0.04 -2.00 0.78 0.99 -0.51 0.00 0.00 176.95 176.18 1oz7 s THR 107 N -3.56 0.00 -0.15 2.01 2.01 0.17 -4.82 115.64 111.30 1oz7 s THR 107 Ca 0.66 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.60 1oz7 s THR 107 Cb -0.08 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1oz7 s THR 107 CO 0.49 0.00 0.08 -0.13 -0.69 0.00 0.00 174.62 174.37 1oz7 s ARG 108 N -2.13 3.65 0.16 4.92 0.52 -1.26 -0.17 118.95 124.64 1oz7 s ARG 108 Ca -0.03 -0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 54.77 1oz7 s ARG 108 Cb -0.01 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.33 1oz7 s ARG 108 CO -0.01 0.52 0.38 0.50 0.02 0.00 0.00 175.30 176.70 1oz7 s ARG 109 N -0.31 1.18 -0.19 3.54 6.06 -0.44 -4.81 118.95 123.98 1oz7 s ARG 109 Ca 0.09 -0.96 -0.39 0.00 -2.50 0.00 0.00 55.73 51.98 1oz7 s ARG 109 Cb -0.12 0.44 -0.15 0.00 0.06 0.00 0.00 34.95 35.18 1oz7 s ARG 109 CO 0.01 -0.46 1.69 -3.47 -2.50 0.00 0.00 175.30 170.57 1oz7 n ASP 110 N -0.24 2.39 0.27 -2.12 2.03 -1.26 -1.86 116.55 115.76 1oz7 n ASP 110 Ca -0.11 1.07 0.18 0.00 0.52 0.00 0.00 54.79 56.46 1oz7 n ASP 110 Cb 0.63 -1.18 0.89 0.00 -0.72 0.00 0.00 41.12 40.74 1oz7 n ASP 110 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oz7 h THR 112 N 0.00 0.00 -3.68 0.00 2.02 -1.88 -2.60 112.91 106.78 1oz7 h THR 112 Ca 0.00 -0.59 -0.45 0.00 0.77 0.00 0.00 66.41 66.14 1oz7 h THR 112 Cb 0.18 1.53 0.15 0.00 -1.74 0.00 0.00 68.15 68.27 1oz7 h THR 112 CO 0.00 0.00 0.37 0.26 0.37 0.00 0.00 175.52 176.52 1oz7 s TRP 113 N -3.13 1.53 -0.00 3.16 0.51 -1.01 -4.76 118.94 115.23 1oz7 s TRP 113 Ca 0.09 0.20 0.02 0.00 -2.12 0.00 0.00 56.10 54.29 1oz7 s TRP 113 Cb 0.11 -3.96 -0.04 0.00 -0.81 0.00 0.00 33.47 28.78 1oz7 s TRP 113 CO 0.63 -2.54 -0.02 0.95 -0.51 0.00 0.00 176.95 175.46 1oz7 s THR 114 N -3.78 3.99 0.15 2.01 -4.23 -1.26 -3.65 115.64 108.88 1oz7 s THR 114 Ca 0.73 -0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 60.41 1oz7 s THR 114 Cb -0.04 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 71.08 1oz7 s THR 114 CO 0.52 0.39 0.48 -0.36 -0.54 0.00 0.00 174.62 175.11 1oz7 s PHE 115 N -1.05 -0.26 1.17 3.99 0.08 -0.34 -4.81 117.98 116.76 1oz7 s PHE 115 Ca 0.19 -0.05 -0.17 0.00 0.12 0.00 0.00 56.93 57.02 1oz7 s PHE 115 Cb -0.11 0.37 0.27 0.00 -0.57 0.00 0.00 43.02 42.97 1oz7 s PHE 115 CO 0.09 -0.80 1.08 -1.12 -0.10 0.00 0.00 175.22 174.38 1oz7 s SER 116 N -2.81 1.19 0.05 1.36 0.01 -1.16 -2.50 113.70 109.83 1oz7 s SER 116 Ca 0.04 0.86 -0.19 0.00 1.31 0.00 0.00 55.95 57.97 1oz7 s SER 116 Cb 0.00 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 65.01 1oz7 s SER 116 CO -0.10 -3.98 0.45 0.72 0.41 0.00 0.00 173.24 170.74 1oz7 s PHE 117 N -2.89 -0.31 -0.19 2.43 -0.00 -1.22 -1.33 117.98 114.46 1oz7 s PHE 117 Ca 0.69 0.30 -0.01 0.00 -0.00 0.00 0.00 56.93 57.91 1oz7 s PHE 117 Cb -0.14 0.26 0.05 0.00 -0.00 0.00 0.00 43.02 43.19 1oz7 s PHE 117 CO 0.57 -0.60 -0.04 0.08 -0.00 0.00 0.00 175.22 175.24 1oz7 s VAL 118 N -2.50 1.13 0.42 -2.49 1.01 -1.26 -1.74 120.40 114.98 1oz7 s VAL 118 Ca -0.05 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1oz7 s VAL 118 Cb -0.01 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1oz7 s VAL 118 CO -0.02 0.01 0.76 0.00 0.00 0.00 0.00 175.10 175.85 1oz7 s LYS 120 N -4.11 0.38 -0.05 0.00 2.20 0.14 -2.92 119.74 115.38 1oz7 s LYS 120 Ca 0.50 0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 56.73 1oz7 s LYS 120 Cb -0.10 0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.30 1oz7 s LYS 120 CO 0.36 -0.12 0.12 0.00 -0.36 0.00 0.00 175.35 175.35 1oz7 s PRO 122 N 0.83 4.30 0.00 0.00 0.02 -1.26 -1.33 135.00 137.55 1oz7 s PRO 122 Ca -0.06 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.05 1oz7 s PRO 122 Cb -0.09 -3.36 0.09 0.00 0.02 0.00 0.00 34.50 31.17 1oz7 s PRO 122 CO -0.04 -0.50 0.58 0.00 -0.33 0.00 0.00 177.00 176.71