#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqz s PRO 11 N 0.00 0.60 -0.04 1.61 0.02 -1.26 -4.92 135.00 131.01 2jqz s PRO 11 Ca 0.00 1.05 0.05 0.00 0.02 0.00 0.00 61.00 62.12 2jqz s PRO 11 Cb 0.00 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.78 2jqz s PRO 11 CO 0.00 -2.76 -0.16 0.14 -0.33 0.00 0.00 177.00 173.89 2jqz s VAL 12 N -2.72 2.88 -0.25 3.83 -7.23 -0.28 -4.84 120.40 111.79 2jqz s VAL 12 Ca 0.66 -0.82 -0.25 0.00 -1.81 0.00 0.00 61.98 59.76 2jqz s VAL 12 Cb -0.21 -2.11 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 2jqz s VAL 12 CO 0.59 0.57 0.84 -0.75 -0.31 0.00 0.00 175.10 176.05 2jqz s LYS 13 N -0.76 4.15 -0.07 4.82 2.47 -1.26 -1.07 119.74 128.03 2jqz s LYS 13 Ca 0.11 0.91 0.02 0.00 -1.56 0.00 0.00 55.97 55.46 2jqz s LYS 13 Cb -0.10 -3.66 0.01 0.00 -1.46 0.00 0.00 37.83 32.62 2jqz s LYS 13 CO 0.01 -0.56 -0.11 -1.17 0.16 0.00 0.00 175.35 173.67 2jqz s LEU 14 N 2.90 1.59 -0.19 5.43 1.98 -0.99 -2.79 118.68 126.61 2jqz s LEU 14 Ca 0.35 -0.29 -0.05 0.00 -2.89 0.00 0.00 54.13 51.26 2jqz s LEU 14 Cb -0.15 -0.80 -0.03 0.00 0.66 0.00 0.00 46.19 45.87 2jqz s LEU 14 CO 0.08 0.01 -0.00 -0.13 -1.89 0.00 0.00 176.35 174.43 2jqz s ARG 15 N 0.76 3.65 -0.39 1.98 0.52 -0.90 -1.26 118.95 123.31 2jqz s ARG 15 Ca -0.13 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 2jqz s ARG 15 Cb -0.15 -3.06 0.06 0.00 0.52 0.00 0.00 34.95 32.32 2jqz s ARG 15 CO 0.02 0.07 0.21 -1.17 0.02 0.00 0.00 175.30 174.46 2jqz s LEU 16 N 0.84 4.87 -0.45 2.53 0.20 -0.79 -2.06 118.68 123.82 2jqz s LEU 16 Ca 0.01 -1.34 -0.22 0.00 0.69 0.00 0.00 54.13 53.27 2jqz s LEU 16 Cb -0.14 -1.96 0.03 0.00 -0.43 0.00 0.00 46.19 43.69 2jqz s LEU 16 CO 0.02 -0.46 0.70 -0.89 -0.29 0.00 0.00 176.35 175.43 2jqz s THR 17 N 1.43 4.75 -0.94 3.68 2.01 0.21 -2.45 115.64 124.33 2jqz s THR 17 Ca 0.02 0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 2jqz s THR 17 Cb -0.21 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.07 2jqz s THR 17 CO 0.03 -0.68 1.40 -0.69 -0.69 0.00 0.00 174.62 173.99 2jqz s VAL 18 N 3.02 3.86 0.00 3.82 1.01 0.88 -0.41 120.40 132.59 2jqz s VAL 18 Ca 0.25 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 2jqz s VAL 18 Cb -0.14 -5.02 -0.12 0.00 0.00 0.00 0.00 36.38 31.10 2jqz s VAL 18 CO 0.20 -1.92 0.97 0.25 0.00 0.00 0.00 175.10 174.60 2jqz h LEU 19 N 12.86 -0.67 -7.86 3.92 6.46 -1.44 0.27 115.31 128.87 2jqz h LEU 19 Ca 0.07 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 57.97 2jqz h LEU 19 Cb 1.02 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 41.07 2jqz h LEU 19 CO 1.39 -0.32 0.41 0.00 -0.62 0.00 0.00 178.44 179.30 2jqz s ALA 21 N -3.06 1.57 0.30 0.00 0.00 -1.22 -0.09 121.76 119.27 2jqz s ALA 21 Ca 0.14 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 51.11 2jqz s ALA 21 Cb -0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2jqz s ALA 21 CO 0.06 0.31 -0.13 0.15 0.00 0.00 0.00 175.76 176.14 2jqz s LYS 22 N -1.62 1.82 -0.85 0.00 -0.14 0.32 -3.23 119.74 116.02 2jqz s LYS 22 Ca 0.04 -1.78 -0.10 0.00 -1.36 0.00 0.00 55.97 52.76 2jqz s LYS 22 Cb -0.09 -1.80 0.01 0.00 -1.68 0.00 0.00 37.83 34.27 2jqz s LYS 22 CO 0.03 0.26 0.56 -1.71 -0.76 0.00 0.00 175.35 173.73 2jqz n ASN 23 N -0.73 -4.08 -4.68 2.83 4.05 -1.01 -0.57 115.26 111.07 2jqz n ASN 23 Ca -0.05 -0.98 -0.43 0.00 0.45 0.00 0.00 54.58 53.57 2jqz n ASN 23 Cb 0.61 -1.42 -0.02 0.00 1.23 0.00 0.00 39.78 40.18 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2jqz s LEU 24 N -5.50 4.22 -0.25 1.20 2.01 -0.78 -3.01 118.68 116.57 2jqz s LEU 24 Ca 0.14 1.63 -0.33 0.00 0.01 0.00 0.00 54.13 55.58 2jqz s LEU 24 Cb -0.08 -3.55 -0.10 0.00 0.01 0.00 0.00 46.19 42.47 2jqz s LEU 24 CO 0.83 -0.59 2.11 0.55 1.01 0.00 0.00 176.35 180.26 2jqz n VAL 25 N 4.84 0.33 0.12 -1.59 3.14 -0.94 -4.75 118.33 119.48 2jqz n VAL 25 Ca 0.11 -0.27 0.02 0.00 -2.96 0.00 0.00 64.34 61.24 2jqz n VAL 25 Cb 0.47 -1.93 0.07 0.00 -1.06 0.00 0.00 33.84 31.39 2jqz n VAL 25 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2jqz n LYS 26 N 7.88 0.00 0.00 1.45 2.85 -1.26 -4.58 118.16 124.50 2jqz n LYS 26 Ca 0.33 0.43 0.00 0.00 -1.05 0.00 0.00 58.31 58.02 2jqz n LYS 26 Cb 0.30 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2jqz n LYS 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2jqz n LYS 27 N -1.49 0.00 -3.76 -1.58 4.76 -1.26 -4.21 118.16 110.62 2jqz n LYS 27 Ca 0.01 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.08 2jqz n LYS 27 Cb 0.04 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.17 2jqz n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jqz s ASP 28 N -3.81 6.50 0.01 4.39 1.11 -1.26 -5.04 116.67 118.57 2jqz s ASP 28 Ca 0.00 0.60 -0.03 0.00 0.18 0.00 0.00 52.55 53.31 2jqz s ASP 28 Cb 0.00 -2.12 -0.01 0.00 1.07 0.00 0.00 42.92 41.85 2jqz s ASP 28 CO 0.00 0.37 1.04 -0.26 1.18 0.00 0.00 175.17 177.50 2jqz h PHE 29 N 5.00 -0.11 0.00 4.23 0.04 -2.03 -1.83 116.94 122.24 2jqz h PHE 29 Ca -0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.24 2jqz h PHE 29 Cb 1.22 0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.42 2jqz h PHE 29 CO 0.74 -0.05 0.00 1.19 -0.60 0.00 0.00 178.31 179.59 2jqz n PHE 30 N -2.60 0.00 -4.44 -0.55 3.01 -1.26 -4.74 117.46 106.88 2jqz n PHE 30 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.24 2jqz n PHE 30 Cb 0.03 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.39 2jqz n PHE 30 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2jqz s ARG 31 N -1.94 1.63 0.05 -1.08 0.52 -0.69 -5.17 118.95 112.28 2jqz s ARG 31 Ca 0.00 -1.89 0.03 0.00 -0.52 0.00 0.00 55.73 53.35 2jqz s ARG 31 Cb 0.00 -0.91 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 2jqz s ARG 31 CO 0.00 -0.15 -0.09 -0.51 0.02 0.00 0.00 175.30 174.57 2jqz s LEU 32 N -3.48 2.28 0.22 2.53 2.01 -1.26 -4.48 118.68 116.51 2jqz s LEU 32 Ca 0.35 -0.61 -0.10 0.00 0.01 0.00 0.00 54.13 53.79 2jqz s LEU 32 Cb 0.08 -0.24 -0.07 0.00 0.01 0.00 0.00 46.19 45.97 2jqz s LEU 32 CO 0.15 -0.20 0.54 -2.16 1.01 0.00 0.00 176.35 175.69 2jqz s PRO 33 N -1.82 3.81 -0.85 1.29 0.04 -1.26 -4.71 135.00 131.50 2jqz s PRO 33 Ca -0.06 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.26 2jqz s PRO 33 Cb -0.09 -2.67 0.23 0.00 0.04 0.00 0.00 34.50 32.01 2jqz s PRO 33 CO 0.00 0.33 0.81 -0.25 0.04 0.00 0.00 177.00 177.93 2jqz n ASP 34 N -0.07 4.19 -4.75 6.66 9.92 -1.26 -2.24 116.55 129.00 2jqz n ASP 34 Ca 0.00 -3.23 -0.38 0.00 -0.53 0.00 0.00 54.79 50.65 2jqz n ASP 34 Cb 0.52 -0.96 0.05 0.00 -0.64 0.00 0.00 41.12 40.08 2jqz n ASP 34 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2jqz s PRO 35 N -1.74 3.03 0.30 -0.24 0.04 -1.25 -1.78 135.00 133.36 2jqz s PRO 35 Ca 0.30 2.20 -0.09 0.00 0.04 0.00 0.00 61.00 63.44 2jqz s PRO 35 Cb -0.02 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2jqz s PRO 35 CO -0.09 -1.26 0.52 -0.59 0.04 0.00 0.00 177.00 175.61 2jqz s PHE 36 N -1.33 0.59 0.15 0.56 -0.71 -0.77 -1.07 117.98 115.40 2jqz s PHE 36 Ca 0.74 -0.94 0.06 0.00 -1.04 0.00 0.00 56.93 55.75 2jqz s PHE 36 Cb -0.40 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2jqz s PHE 36 CO 0.46 -1.12 -0.14 0.00 -1.34 0.00 0.00 175.22 173.08 2jqz s ALA 37 N -3.44 1.65 0.07 1.99 0.00 -1.14 -2.21 121.76 118.68 2jqz s ALA 37 Ca 0.24 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.82 2jqz s ALA 37 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2jqz s ALA 37 CO 0.13 0.08 -0.11 0.15 0.00 0.00 0.00 175.76 176.01 2jqz s LYS 38 N -3.06 0.72 -0.05 0.00 1.02 0.55 -0.17 119.74 118.76 2jqz s LYS 38 Ca 0.14 -0.92 0.05 0.00 0.02 0.00 0.00 55.97 55.26 2jqz s LYS 38 Cb -0.03 -0.59 -0.01 0.00 -0.52 0.00 0.00 37.83 36.68 2jqz s LYS 38 CO 0.04 0.12 -0.21 0.08 -0.92 0.00 0.00 175.35 174.45 2jqz s VAL 39 N -1.51 1.78 -0.02 3.17 1.01 0.98 -1.59 120.40 124.22 2jqz s VAL 39 Ca -0.03 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2jqz s VAL 39 Cb -0.09 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.79 2jqz s VAL 39 CO 0.01 0.50 -0.04 0.68 0.00 0.00 0.00 175.10 176.25 2jqz s VAL 40 N -0.05 0.39 -0.43 2.92 -7.23 -1.00 -2.25 120.40 112.75 2jqz s VAL 40 Ca -0.04 -0.13 -0.14 0.00 -1.81 0.00 0.00 61.98 59.86 2jqz s VAL 40 Cb -0.13 -0.38 0.04 0.00 0.56 0.00 0.00 36.38 36.47 2jqz s VAL 40 CO 0.03 0.15 0.31 -0.69 -0.31 0.00 0.00 175.10 174.60 2jqz s VAL 41 N 0.40 5.06 -0.96 1.32 1.01 -1.13 -2.60 120.40 123.50 2jqz s VAL 41 Ca -0.04 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.80 2jqz s VAL 41 Cb -0.08 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 2jqz s VAL 41 CO -0.00 -0.40 2.11 -0.62 0.00 0.00 0.00 175.10 176.18 2jqz s ASP 42 N 2.00 4.44 0.00 3.32 -1.08 -1.01 -0.95 116.67 123.38 2jqz s ASP 42 Ca 0.04 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.34 2jqz s ASP 42 Cb -0.21 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.68 2jqz s ASP 42 CO 0.08 -3.52 0.00 0.61 0.52 0.00 0.00 175.17 172.85 2jqz n GLY 43 N 6.50 -0.10 3.33 2.66 0.00 -1.26 -4.07 105.19 112.25 2jqz n GLY 43 Ca 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 2jqz n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jqz s SER 44 N -0.09 0.06 -0.25 1.61 0.15 -0.13 -5.04 113.70 110.01 2jqz s SER 44 Ca 0.00 -0.92 0.06 0.00 0.70 0.00 0.00 55.95 55.79 2jqz s SER 44 Cb 0.00 0.43 0.51 0.00 -1.71 0.00 0.00 66.02 65.26 2jqz s SER 44 CO 0.00 -0.89 1.52 0.61 1.20 0.00 0.00 173.24 175.68 2jqz n GLY 45 N -0.22 3.21 3.62 9.45 0.00 -1.26 -4.31 105.19 115.68 2jqz n GLY 45 Ca -0.06 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2jqz n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqz s GLN 46 N -2.27 3.90 0.15 1.61 -0.21 -1.26 -5.00 119.66 116.57 2jqz s GLN 46 Ca 0.39 0.76 0.10 0.00 0.02 0.00 0.00 55.36 56.62 2jqz s GLN 46 Cb 0.32 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 2jqz s GLN 46 CO 0.09 -1.02 -0.22 0.00 -2.12 0.00 0.00 175.29 172.03 2jqz s HIS 48 N -1.51 0.58 -0.12 0.00 3.76 -0.96 -4.93 115.29 112.11 2jqz s HIS 48 Ca 0.14 -0.91 -0.22 0.00 -0.15 0.00 0.00 55.06 53.91 2jqz s HIS 48 Cb -0.08 -0.06 0.05 0.00 1.11 0.00 0.00 32.58 33.60 2jqz s HIS 48 CO 0.07 -0.84 0.56 -1.54 -0.85 0.00 0.00 174.74 172.13 2jqz s SER 49 N -3.05 -0.54 0.03 1.40 1.04 -1.26 -0.01 113.70 111.32 2jqz s SER 49 Ca 0.26 0.80 0.01 0.00 0.48 0.00 0.00 55.95 57.50 2jqz s SER 49 Cb 0.02 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.90 2jqz s SER 49 CO 0.08 -0.38 0.11 0.42 0.98 0.00 0.00 173.24 174.45 2jqz s THR 50 N -0.50 4.82 0.97 2.02 -4.23 0.77 -4.94 115.64 114.54 2jqz s THR 50 Ca -0.06 -0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 2jqz s THR 50 Cb -0.03 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 2jqz s THR 50 CO 0.04 0.24 0.07 0.47 -0.54 0.00 0.00 174.62 174.90 2jqz n ASP 51 N 0.77 -3.09 -4.74 3.99 9.92 -1.26 -2.89 116.55 119.25 2jqz n ASP 51 Ca -0.10 0.28 -0.35 0.00 -0.53 0.00 0.00 54.79 54.08 2jqz n ASP 51 Cb 0.52 -1.08 -0.08 0.00 -0.64 0.00 0.00 41.12 39.84 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2jqz s THR 52 N -2.29 5.14 0.38 -3.53 2.01 -1.26 -4.34 115.64 111.75 2jqz s THR 52 Ca 0.52 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.57 2jqz s THR 52 Cb -0.20 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2jqz s THR 52 CO 0.71 0.51 0.64 0.68 -0.69 0.00 0.00 174.62 176.48 2jqz s VAL 53 N -0.15 5.00 -0.14 3.82 -7.23 -0.23 -5.00 120.40 116.47 2jqz s VAL 53 Ca 0.09 -0.02 -0.07 0.00 -1.81 0.00 0.00 61.98 60.17 2jqz s VAL 53 Cb -0.12 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 2jqz s VAL 53 CO 0.01 -0.57 0.11 -0.54 -0.31 0.00 0.00 175.10 173.79 2jqz s LYS 54 N -4.18 3.58 0.00 4.82 1.02 -1.26 -3.87 119.74 119.84 2jqz s LYS 54 Ca 0.44 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.22 2jqz s LYS 54 Cb -0.10 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 2jqz s LYS 54 CO 0.36 0.61 0.00 0.27 -0.92 0.00 0.00 175.35 175.68 2jqz n ASN 55 N 2.49 0.00 -3.72 2.83 2.04 -1.21 -4.94 115.26 112.75 2jqz n ASN 55 Ca -0.19 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 53.82 2jqz n ASN 55 Cb 0.54 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.71 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2jqz s THR 56 N 0.00 0.05 -1.72 5.53 -1.32 -0.95 -4.92 115.64 112.31 2jqz s THR 56 Ca 0.00 -0.45 0.18 0.00 -1.21 0.00 0.00 61.69 60.21 2jqz s THR 56 Cb 0.00 -0.76 0.44 0.00 -1.51 0.00 0.00 72.50 70.67 2jqz s THR 56 CO 0.00 -0.25 1.36 0.18 -2.21 0.00 0.00 174.62 173.70 2jqz n LEU 57 N 1.01 3.35 -2.82 9.08 4.77 -1.26 -4.50 117.00 126.62 2jqz n LEU 57 Ca -0.20 -1.79 -0.03 0.00 -0.03 0.00 0.00 56.01 53.95 2jqz n LEU 57 Cb 0.57 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2jqz n LEU 57 CO 0.22 0.80 0.12 1.51 -1.33 0.00 0.00 177.39 178.70 2jqz s ASP 58 N -1.12 -1.46 0.49 -1.43 -4.77 -1.26 -1.87 116.67 105.25 2jqz s ASP 58 Ca 0.35 -1.60 0.00 0.00 -3.30 0.00 0.00 52.55 48.00 2jqz s ASP 58 Cb 0.19 1.90 0.00 0.00 -1.09 0.00 0.00 42.92 43.93 2jqz s ASP 58 CO 0.26 -0.07 0.00 -0.81 0.70 0.00 0.00 175.17 175.25 2jqz n PRO 59 N 3.15 0.50 -3.62 2.11 -0.04 -1.20 -4.89 135.00 131.01 2jqz n PRO 59 Ca 0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2jqz n PRO 59 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 2jqz n PRO 59 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2jqz s LYS 60 N -1.47 0.46 0.00 0.54 0.00 -1.26 -3.40 119.74 114.61 2jqz s LYS 60 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 55.97 56.33 2jqz s LYS 60 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 37.83 38.05 2jqz s LYS 60 CO 0.00 -0.09 0.00 0.91 0.00 0.00 0.00 175.35 176.17 2jqz n TRP 61 N 1.57 0.00 -2.73 1.78 8.01 -0.99 -4.94 117.44 120.14 2jqz n TRP 61 Ca -0.11 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 55.91 2jqz n TRP 61 Cb 0.57 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.87 2jqz n TRP 61 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2jqz n ASN 62 N -1.86 -4.35 -4.56 -0.99 5.15 0.93 -4.94 115.26 104.64 2jqz n ASN 62 Ca 0.00 -0.03 -0.34 0.00 -0.60 0.00 0.00 54.58 53.61 2jqz n ASN 62 Cb 0.20 -3.63 -0.11 0.00 -0.53 0.00 0.00 39.78 35.71 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2jqz s GLN 63 N -5.35 3.39 -0.03 1.20 -0.21 -1.05 -4.88 119.66 112.73 2jqz s GLN 63 Ca 0.14 -0.49 0.07 0.00 0.02 0.00 0.00 55.36 55.10 2jqz s GLN 63 Cb -0.07 -2.85 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 2jqz s GLN 63 CO 0.17 0.41 -0.23 -3.38 -2.12 0.00 0.00 175.29 170.14 2jqz s HIS 64 N -0.10 2.42 -0.04 0.91 -3.43 -1.26 -0.08 115.29 113.71 2jqz s HIS 64 Ca 0.03 -0.42 0.06 0.00 -0.80 0.00 0.00 55.06 53.93 2jqz s HIS 64 Cb -0.13 -1.54 -0.01 0.00 -1.43 0.00 0.00 32.58 29.47 2jqz s HIS 64 CO 0.02 -0.02 -0.23 0.71 -2.00 0.00 0.00 174.74 173.23 2jqz s TYR 65 N -0.57 2.11 -0.27 0.38 2.02 -1.02 -4.92 117.35 115.08 2jqz s TYR 65 Ca 0.09 -0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.16 2jqz s TYR 65 Cb -0.11 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.02 2jqz s TYR 65 CO -0.00 -0.12 0.19 0.16 -1.57 0.00 0.00 175.55 174.21 2jqz s ASP 66 N -0.30 6.05 0.01 2.29 -4.77 -1.26 -1.88 116.67 116.81 2jqz s ASP 66 Ca 0.02 0.03 0.05 0.00 -3.30 0.00 0.00 52.55 49.35 2jqz s ASP 66 Cb -0.11 -2.12 -0.02 0.00 -1.09 0.00 0.00 42.92 39.59 2jqz s ASP 66 CO 0.01 -0.03 -0.14 -0.76 0.70 0.00 0.00 175.17 174.95 2jqz s LEU 67 N 1.61 2.08 0.43 2.11 1.43 -0.39 -4.93 118.68 121.03 2jqz s LEU 67 Ca 0.07 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2jqz s LEU 67 Cb -0.15 -0.68 -0.11 0.00 0.03 0.00 0.00 46.19 45.28 2jqz s LEU 67 CO 0.09 0.12 0.96 -0.31 0.23 0.00 0.00 176.35 177.44 2jqz s TYR 68 N -0.53 3.28 -0.14 0.29 2.02 -1.26 -2.34 117.35 118.67 2jqz s TYR 68 Ca 0.04 1.61 -0.01 0.00 -0.37 0.00 0.00 57.07 58.34 2jqz s TYR 68 Cb -0.06 -2.87 0.04 0.00 -0.40 0.00 0.00 41.96 38.66 2jqz s TYR 68 CO 0.00 -0.18 -0.04 0.42 -1.57 0.00 0.00 175.55 174.18 2jqz s ILE 69 N -2.16 0.87 -0.01 2.71 -1.09 -0.23 -4.85 121.20 116.45 2jqz s ILE 69 Ca 0.62 -0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.71 2jqz s ILE 69 Cb -0.10 -1.04 -0.01 0.00 -1.58 0.00 0.00 42.46 39.72 2jqz s ILE 69 CO 0.14 0.17 -0.16 -0.83 -1.23 0.00 0.00 174.94 173.03 2jqz s GLY 70 N 1.75 0.81 0.00 6.18 0.00 -1.26 -1.13 107.32 113.67 2jqz s GLY 70 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2jqz s GLY 70 CO -0.07 -0.61 0.00 1.17 0.00 0.00 0.00 173.10 173.58 2jqz n LYS 71 N 2.60 0.00 -2.43 2.90 3.00 -1.26 -0.80 118.16 122.17 2jqz n LYS 71 Ca -0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.07 2jqz n LYS 71 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.61 2jqz n LYS 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jqz n SER 72 N 1.71 2.88 -4.87 3.14 2.88 -1.26 -5.07 113.62 113.03 2jqz n SER 72 Ca 0.00 -2.74 -0.31 0.00 -1.33 0.00 0.00 58.87 54.49 2jqz n SER 72 Cb 0.00 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.06 2jqz n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jqz s ASP 73 N -3.66 6.02 0.08 -3.46 2.15 0.02 -4.89 116.67 112.93 2jqz s ASP 73 Ca 0.37 1.36 -0.11 0.00 0.43 0.00 0.00 52.55 54.60 2jqz s ASP 73 Cb 0.36 -2.34 0.01 0.00 -0.30 0.00 0.00 42.92 40.64 2jqz s ASP 73 CO -0.01 -0.99 0.24 -0.44 -0.17 0.00 0.00 175.17 173.79 2jqz s SER 74 N -4.21 0.02 -0.03 -0.34 0.01 -1.26 -3.28 113.70 104.62 2jqz s SER 74 Ca 0.56 -0.51 0.04 0.00 1.31 0.00 0.00 55.95 57.35 2jqz s SER 74 Cb -0.11 0.36 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 2jqz s SER 74 CO 0.53 -0.72 -0.16 -0.69 0.41 0.00 0.00 173.24 172.62 2jqz s VAL 75 N -3.55 1.29 -0.15 3.43 1.01 -0.87 -2.42 120.40 119.14 2jqz s VAL 75 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2jqz s VAL 75 Cb 0.03 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.36 2jqz s VAL 75 CO -0.10 0.37 -0.05 -0.89 0.00 0.00 0.00 175.10 174.44 2jqz s THR 76 N -0.15 0.99 -0.31 3.92 2.01 -1.07 -1.93 115.64 119.08 2jqz s THR 76 Ca 0.01 -0.47 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 2jqz s THR 76 Cb -0.09 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 2jqz s THR 76 CO 0.01 0.18 0.25 -0.63 -0.69 0.00 0.00 174.62 173.74 2jqz s ILE 77 N 1.70 5.27 -0.00 1.82 1.01 -0.16 -2.39 121.20 128.45 2jqz s ILE 77 Ca 0.02 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2jqz s ILE 77 Cb -0.14 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2jqz s ILE 77 CO -0.08 0.08 -0.10 -0.44 0.00 0.00 0.00 174.94 174.40 2jqz s SER 78 N 1.73 4.36 -0.08 3.58 0.01 -0.62 -0.14 113.70 122.54 2jqz s SER 78 Ca 0.08 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 2jqz s SER 78 Cb -0.17 -0.95 -0.03 0.00 0.21 0.00 0.00 66.02 65.08 2jqz s SER 78 CO 0.11 0.29 -0.04 -0.69 0.41 0.00 0.00 173.24 173.32 2jqz s VAL 79 N -0.93 3.95 0.08 3.43 1.01 -0.78 -0.33 120.40 126.83 2jqz s VAL 79 Ca 0.15 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2jqz s VAL 79 Cb -0.11 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2jqz s VAL 79 CO 0.06 0.60 -0.13 0.26 0.00 0.00 0.00 175.10 175.88 2jqz s TRP 80 N -0.76 1.16 -0.79 5.22 0.52 -0.94 -0.92 118.94 122.43 2jqz s TRP 80 Ca 0.12 -0.50 -0.19 0.00 0.02 0.00 0.00 56.10 55.54 2jqz s TRP 80 Cb -0.11 -0.65 0.12 0.00 -1.15 0.00 0.00 33.47 31.68 2jqz s TRP 80 CO 0.02 0.05 0.98 1.21 0.02 0.00 0.00 176.95 179.22 2jqz s ASN 81 N -1.90 6.45 0.39 2.95 3.04 0.11 -1.84 114.94 124.14 2jqz s ASN 81 Ca -0.01 -1.75 0.23 0.00 0.04 0.00 0.00 52.86 51.38 2jqz s ASN 81 Cb -0.08 -2.37 1.32 0.00 -1.54 0.00 0.00 41.25 38.58 2jqz s ASN 81 CO 0.02 -1.11 1.62 -0.74 -3.04 0.00 0.00 177.10 173.84 2jqz h HIS 82 N 8.97 0.72 -0.11 0.43 -0.00 -1.61 0.56 115.15 124.11 2jqz h HIS 82 Ca -0.04 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2jqz h HIS 82 Cb 1.05 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 28.28 2jqz h HIS 82 CO 1.05 -0.29 0.05 -0.22 -0.00 0.00 0.00 177.93 178.52 2jqz h LYS 83 N 0.12 0.16 0.02 5.26 1.63 -1.91 -2.88 116.57 118.96 2jqz h LYS 83 Ca 0.81 -0.02 -0.22 0.00 -0.85 0.00 0.00 60.65 60.37 2jqz h LYS 83 Cb 2.25 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.83 2jqz h LYS 83 CO -0.58 0.24 -1.02 0.87 -3.45 0.00 0.00 179.45 175.51 2jqz h LYS 84 N 0.04 0.06 -0.47 1.90 1.79 -0.37 -1.73 116.57 117.79 2jqz h LYS 84 Ca 0.04 -0.09 0.14 0.00 -2.18 0.00 0.00 60.65 58.55 2jqz h LYS 84 Cb 0.13 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2jqz h LYS 84 CO -0.00 1.02 0.34 -0.84 -1.08 0.00 0.00 179.45 178.89 2jqz h ILE 85 N 0.02 0.74 0.00 1.86 3.07 -0.31 0.81 117.51 123.70 2jqz h ILE 85 Ca -0.03 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.31 2jqz h ILE 85 Cb 1.77 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 39.06 2jqz h ILE 85 CO 0.14 0.00 -1.20 1.41 -1.05 0.00 0.00 178.15 177.45 2jqz n HIS 86 N -4.35 0.95 0.08 0.16 8.25 -1.10 -4.40 115.22 114.82 2jqz n HIS 86 Ca 0.08 0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.72 2jqz n HIS 86 Cb 0.55 -1.00 -0.07 0.00 1.12 0.00 0.00 29.99 30.59 2jqz n HIS 86 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2jqz h LYS 87 N 0.00 -0.53 0.00 -0.41 1.63 0.16 -3.49 116.57 113.93 2jqz h LYS 87 Ca -0.07 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2jqz h LYS 87 Cb 1.24 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 2jqz h LYS 87 CO 0.02 -0.35 0.00 1.63 -3.45 0.00 0.00 179.45 177.30 2jqz n LYS 88 N -4.61 -0.34 -2.18 1.90 4.76 -1.06 -5.07 118.16 111.57 2jqz n LYS 88 Ca -0.06 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.98 2jqz n LYS 88 Cb 0.30 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.47 2jqz n LYS 88 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2jqz s GLN 89 N -0.04 4.28 0.00 1.97 0.74 -1.26 -3.12 119.66 122.23 2jqz s GLN 89 Ca 0.00 2.09 0.00 0.00 0.05 0.00 0.00 55.36 57.50 2jqz s GLN 89 Cb 0.00 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.14 2jqz s GLN 89 CO 0.00 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 2jqz n GLY 90 N 0.80 1.15 3.68 2.59 0.00 -1.26 -4.93 105.19 107.21 2jqz n GLY 90 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jqz n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqz s ALA 91 N 0.00 3.60 0.00 4.61 0.00 -1.18 -4.06 121.76 124.73 2jqz s ALA 91 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2jqz s ALA 91 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2jqz s ALA 91 CO 0.00 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.14 2jqz n GLY 92 N 3.70 -0.45 3.87 0.00 0.00 -1.24 -2.74 105.19 108.33 2jqz n GLY 92 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2jqz n GLY 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jqz s PHE 93 N 0.00 3.45 -0.36 1.61 5.36 -1.26 0.05 117.98 126.84 2jqz s PHE 93 Ca 0.00 0.90 0.14 0.00 -0.96 0.00 0.00 56.93 57.01 2jqz s PHE 93 Cb 0.00 -2.27 0.42 0.00 -0.34 0.00 0.00 43.02 40.83 2jqz s PHE 93 CO 0.00 0.30 1.09 1.28 -1.46 0.00 0.00 175.22 176.43 2jqz n LEU 94 N 0.03 0.05 -1.41 6.12 4.77 -0.10 -4.26 117.00 122.20 2jqz n LEU 94 Ca -0.01 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.28 2jqz n LEU 94 Cb 0.52 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2jqz n LEU 94 CO 0.45 1.74 -0.26 0.61 -1.33 0.00 0.00 177.39 178.60 2jqz n GLY 95 N -0.22 -4.58 3.66 -0.72 0.00 -1.24 -4.35 105.19 97.74 2jqz n GLY 95 Ca 0.05 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2jqz n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqz s VAL 97 N 0.15 4.80 -0.08 0.00 0.11 0.80 -4.66 120.40 121.51 2jqz s VAL 97 Ca 0.05 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2jqz s VAL 97 Cb -0.12 -3.14 0.01 0.00 -1.53 0.00 0.00 36.38 31.60 2jqz s VAL 97 CO 0.00 0.48 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.52 2jqz s ARG 98 N 0.16 1.98 -0.08 1.54 3.52 -1.26 -0.99 118.95 123.81 2jqz s ARG 98 Ca 0.05 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2jqz s ARG 98 Cb -0.12 -1.64 0.01 0.00 -1.56 0.00 0.00 34.95 31.63 2jqz s ARG 98 CO 0.00 0.00 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.80 2jqz s LEU 99 N 0.78 1.90 0.00 -0.88 2.01 -0.81 -5.03 118.68 116.65 2jqz s LEU 99 Ca -0.12 -0.45 -0.02 0.00 0.01 0.00 0.00 54.13 53.56 2jqz s LEU 99 Cb -0.16 -1.16 0.04 0.00 0.01 0.00 0.00 46.19 44.92 2jqz s LEU 99 CO 0.02 0.11 0.24 0.18 1.01 0.00 0.00 176.35 177.91 2jqz n LEU 100 N 3.64 0.00 -0.07 1.79 4.77 -1.26 -2.05 117.00 123.81 2jqz n LEU 100 Ca -0.21 -0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 55.28 2jqz n LEU 100 Cb 0.52 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 2jqz n LEU 100 CO 0.27 -0.65 0.74 0.77 -1.33 0.00 0.00 177.39 177.19 2jqz h SER 101 N -0.23 0.39 -0.38 -1.43 4.64 -1.89 0.20 113.55 114.84 2jqz h SER 101 Ca -0.08 -0.33 -0.05 0.00 -0.47 0.00 0.00 61.79 60.86 2jqz h SER 101 Cb 0.25 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2jqz h SER 101 CO 0.07 0.63 0.04 0.78 -0.87 0.00 0.00 176.83 177.48 2jqz h ASN 102 N 0.15 0.62 -0.64 4.97 4.21 -1.95 -2.31 115.58 120.64 2jqz h ASN 102 Ca 0.06 -0.28 -0.03 0.00 1.21 0.00 0.00 56.30 57.26 2jqz h ASN 102 Cb 0.44 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.44 2jqz h ASN 102 CO 0.01 0.74 0.29 0.00 -1.29 0.00 0.00 177.43 177.19 2jqz h ALA 103 N 0.90 0.82 -0.58 -0.83 0.00 -1.91 -2.40 119.26 115.26 2jqz h ALA 103 Ca 0.11 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jqz h ALA 103 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jqz h ALA 103 CO 0.01 0.40 0.38 0.82 0.00 0.00 0.00 179.25 180.87 2jqz h ILE 104 N 0.88 1.02 0.38 0.00 2.04 -0.36 0.23 117.51 121.71 2jqz h ILE 104 Ca 0.22 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2jqz h ILE 104 Cb 0.15 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2jqz h ILE 104 CO -0.02 0.11 -0.18 -1.13 0.00 0.00 0.00 178.15 176.92 2jqz h ASN 105 N 0.60 -0.44 -0.76 1.72 -0.73 -0.92 0.36 115.58 115.42 2jqz h ASN 105 Ca 0.24 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 2jqz h ASN 105 Cb 0.21 0.11 -0.04 0.00 0.27 0.00 0.00 38.32 38.87 2jqz h ASN 105 CO -0.07 -0.03 0.43 0.03 -0.37 0.00 0.00 177.43 177.42 2jqz h ARG 106 N -0.93 1.05 -0.17 6.67 3.08 -1.22 -2.73 114.38 120.13 2jqz h ARG 106 Ca -0.05 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.67 2jqz h ARG 106 Cb 0.54 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.39 2jqz h ARG 106 CO 0.09 0.77 -0.72 -0.07 -1.07 0.00 0.00 179.97 178.96 2jqz h LEU 107 N 1.04 0.88 -1.97 3.04 3.38 -0.60 -2.66 115.31 118.42 2jqz h LEU 107 Ca 0.27 -0.55 0.14 0.00 0.09 0.00 0.00 57.88 57.82 2jqz h LEU 107 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2jqz h LEU 107 CO -0.05 1.34 0.36 0.07 0.09 0.00 0.00 178.44 180.25 2jqz h LYS 108 N 0.53 0.04 0.01 1.13 2.10 0.04 -0.84 116.57 119.58 2jqz h LYS 108 Ca -0.03 -0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.31 2jqz h LYS 108 Cb 1.34 -0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 32.61 2jqz h LYS 108 CO 0.15 0.02 -1.75 -3.47 -2.00 0.00 0.00 179.45 172.40 2jqz n ASP 109 N -4.40 0.97 0.02 7.07 2.03 -1.14 -2.99 116.55 118.11 2jqz n ASP 109 Ca 0.09 0.39 -0.01 0.00 0.52 0.00 0.00 54.79 55.78 2jqz n ASP 109 Cb 0.55 -0.11 -0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2jqz n ASP 109 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2jqz h THR 110 N 0.01 0.00 0.00 5.18 1.35 -0.80 -3.48 112.91 115.16 2jqz h THR 110 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2jqz h THR 110 Cb 2.02 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2jqz h THR 110 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2jqz n GLY 111 N -1.03 1.44 0.00 5.82 0.00 -0.93 -4.94 105.19 105.54 2jqz n GLY 111 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jqz n GLY 111 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jqz n TYR 112 N -1.46 0.00 -3.99 1.61 4.01 -1.25 -4.37 117.16 111.71 2jqz n TYR 112 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 2jqz n TYR 112 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 2jqz n TYR 112 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2jqz s GLN 113 N 0.00 3.51 -0.50 -0.72 1.11 0.66 -4.93 119.66 118.80 2jqz s GLN 113 Ca 0.00 -0.57 -0.07 0.00 0.01 0.00 0.00 55.36 54.73 2jqz s GLN 113 Cb 0.00 -3.07 0.13 0.00 -1.01 0.00 0.00 33.01 29.06 2jqz s GLN 113 CO 0.00 -0.10 0.35 -0.98 0.01 0.00 0.00 175.29 174.57 2jqz s ARG 114 N 1.27 2.44 -0.14 2.91 1.70 -1.26 -0.43 118.95 125.44 2jqz s ARG 114 Ca 0.04 -1.91 -0.07 0.00 -0.47 0.00 0.00 55.73 53.31 2jqz s ARG 114 Cb -0.15 -3.85 -0.04 0.00 -0.57 0.00 0.00 34.95 30.34 2jqz s ARG 114 CO 0.00 -1.17 0.13 -0.51 -1.08 0.00 0.00 175.30 172.67 2jqz s LEU 115 N 1.07 4.28 -0.04 -1.89 1.02 -0.12 -4.86 118.68 118.14 2jqz s LEU 115 Ca 0.08 0.39 -0.30 0.00 0.02 0.00 0.00 54.13 54.32 2jqz s LEU 115 Cb -0.24 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.88 2jqz s LEU 115 CO -0.02 0.35 1.28 -1.81 0.02 0.00 0.00 176.35 176.17 2jqz s ASP 116 N -0.69 6.97 -0.04 2.29 1.11 -1.26 -0.38 116.67 124.68 2jqz s ASP 116 Ca 0.13 1.92 -0.30 0.00 0.18 0.00 0.00 52.55 54.48 2jqz s ASP 116 Cb -0.12 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.29 2jqz s ASP 116 CO 0.03 -0.64 1.01 -0.76 1.18 0.00 0.00 175.17 175.99 2jqz s LEU 117 N 2.32 4.32 0.31 1.23 1.43 0.20 -4.84 118.68 123.65 2jqz s LEU 117 Ca 0.59 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 2jqz s LEU 117 Cb -0.27 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.40 2jqz s LEU 117 CO 0.23 -0.36 0.59 0.00 0.23 0.00 0.00 176.35 177.05 2jqz n LYS 119 N -0.48 -1.42 0.30 0.00 2.85 -1.26 -3.50 118.16 114.65 2jqz n LYS 119 Ca -0.03 -0.39 0.17 0.00 -1.05 0.00 0.00 58.31 57.01 2jqz n LYS 119 Cb 0.61 -1.86 0.93 0.00 -0.65 0.00 0.00 35.03 34.05 2jqz n LYS 119 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2jqz h LEU 120 N -2.07 0.00 -7.14 -5.58 -0.00 -1.96 -3.46 115.31 95.09 2jqz h LEU 120 Ca -0.52 0.00 0.31 0.00 -0.00 0.00 0.00 57.88 57.67 2jqz h LEU 120 Cb 1.33 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.85 2jqz h LEU 120 CO 0.40 0.03 0.84 -0.83 -0.00 0.00 0.00 178.44 178.88 2jqz s GLY 121 N -4.15 -0.38 0.08 0.83 0.00 -1.26 -4.99 107.32 97.45 2jqz s GLY 121 Ca -0.04 1.01 -0.28 0.00 0.00 0.00 0.00 44.72 45.41 2jqz s GLY 121 CO 0.52 0.26 1.66 -2.55 0.00 0.00 0.00 173.10 172.99 2jqz h PRO 122 N 2.00 -0.40 0.00 2.90 0.11 -2.01 -1.74 132.00 132.86 2jqz h PRO 122 Ca -0.24 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2jqz h PRO 122 Cb 1.19 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2jqz h PRO 122 CO 0.27 -0.25 0.00 0.09 -0.21 0.00 0.00 178.00 177.89 2jqz n ASN 123 N -5.26 0.00 -1.28 -2.05 5.03 -1.26 -2.65 115.26 107.78 2jqz n ASN 123 Ca -0.10 -0.74 -0.08 0.00 0.87 0.00 0.00 54.58 54.53 2jqz n ASN 123 Cb 0.19 0.00 0.12 0.00 -1.02 0.00 0.00 39.78 39.07 2jqz n ASN 123 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2jqz n ASP 124 N -0.95 3.26 -4.67 6.41 8.00 -0.67 -5.07 116.55 122.87 2jqz n ASP 124 Ca 0.14 -3.83 -0.43 0.00 0.71 0.00 0.00 54.79 51.38 2jqz n ASP 124 Cb 0.07 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 2jqz n ASP 124 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jqz n ASN 125 N -0.93 2.34 -2.76 -2.24 5.15 -1.09 -4.41 115.26 111.32 2jqz n ASN 125 Ca 0.31 1.20 -0.09 0.00 -0.60 0.00 0.00 54.58 55.39 2jqz n ASN 125 Cb 0.83 -1.43 0.07 0.00 -0.53 0.00 0.00 39.78 38.72 2jqz n ASN 125 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2jqz n ASP 126 N 0.88 -2.32 -3.34 1.20 2.03 -1.26 -5.03 116.55 108.71 2jqz n ASP 126 Ca 0.06 -3.55 -0.18 0.00 0.52 0.00 0.00 54.79 51.64 2jqz n ASP 126 Cb 0.35 1.75 0.01 0.00 -0.72 0.00 0.00 41.12 42.52 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jqz n THR 127 N 0.72 -6.92 -4.38 5.18 -2.24 -1.26 -4.96 114.28 100.42 2jqz n THR 127 Ca 0.08 0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.79 2jqz n THR 127 Cb 0.68 -5.06 -0.10 0.00 -2.10 0.00 0.00 70.33 63.75 2jqz n THR 127 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jqz s VAL 128 N -2.59 1.73 0.00 2.28 0.11 -1.26 -4.96 120.40 115.71 2jqz s VAL 128 Ca 0.13 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.00 2jqz s VAL 128 Cb -0.02 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 2jqz s VAL 128 CO 0.83 -0.47 0.00 -1.14 -3.33 0.00 0.00 175.10 170.99 2jqz n ARG 129 N -0.47 0.00 -3.13 1.54 0.63 -1.26 -4.94 116.66 109.03 2jqz n ARG 129 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2jqz n ARG 129 Cb 0.62 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.53 2jqz n ARG 129 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jqz n GLY 130 N 0.00 -1.33 3.40 5.14 0.00 -0.57 -2.22 105.19 109.61 2jqz n GLY 130 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 2jqz n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqz s GLN 131 N -1.84 1.66 -0.28 1.61 1.11 0.27 0.62 119.66 122.82 2jqz s GLN 131 Ca 0.00 -1.70 -0.18 0.00 0.01 0.00 0.00 55.36 53.49 2jqz s GLN 131 Cb 0.00 0.38 0.09 0.00 -1.01 0.00 0.00 33.01 32.47 2jqz s GLN 131 CO 0.00 -0.65 0.73 -1.50 0.01 0.00 0.00 175.29 173.88 2jqz s ILE 132 N -3.53 0.00 -0.21 1.08 2.07 0.49 -0.52 121.20 120.57 2jqz s ILE 132 Ca 0.33 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.50 2jqz s ILE 132 Cb 0.02 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 2jqz s ILE 132 CO 0.18 0.00 0.08 -0.69 -1.91 0.00 0.00 174.94 172.60 2jqz s VAL 133 N 1.37 4.71 0.33 4.00 1.01 0.87 -0.94 120.40 131.74 2jqz s VAL 133 Ca -0.08 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2jqz s VAL 133 Cb -0.05 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2jqz s VAL 133 CO -0.16 0.40 0.14 1.33 0.00 0.00 0.00 175.10 176.81 2jqz n VAL 134 N 4.10 0.00 -3.70 2.92 0.24 0.43 -1.22 118.33 121.10 2jqz n VAL 134 Ca -0.16 -1.97 -0.14 0.00 -2.04 0.00 0.00 64.34 60.03 2jqz n VAL 134 Cb 0.52 0.75 -0.14 0.00 -1.47 0.00 0.00 33.84 33.50 2jqz n VAL 134 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2jqz s SER 135 N -3.04 0.11 -0.34 -1.34 1.04 0.46 -0.24 113.70 110.34 2jqz s SER 135 Ca 0.19 0.46 -0.10 0.00 0.48 0.00 0.00 55.95 56.98 2jqz s SER 135 Cb 0.01 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2jqz s SER 135 CO 0.14 -0.20 0.18 -0.76 0.98 0.00 0.00 173.24 173.58 2jqz s LEU 136 N 1.73 4.39 -0.06 2.42 2.01 -1.26 -0.62 118.68 127.29 2jqz s LEU 136 Ca -0.04 -0.70 -0.03 0.00 0.01 0.00 0.00 54.13 53.37 2jqz s LEU 136 Cb -0.11 -2.02 0.03 0.00 0.01 0.00 0.00 46.19 44.10 2jqz s LEU 136 CO -0.07 -0.27 0.14 -1.58 1.01 0.00 0.00 176.35 175.58 2jqz s GLN 137 N 1.60 0.11 0.49 1.70 0.74 -0.88 -2.44 119.66 120.98 2jqz s GLN 137 Ca 0.04 0.33 -0.21 0.00 0.05 0.00 0.00 55.36 55.57 2jqz s GLN 137 Cb -0.18 -0.13 -0.07 0.00 1.10 0.00 0.00 33.01 33.74 2jqz s GLN 137 CO 0.07 -0.13 1.13 -1.54 -0.55 0.00 0.00 175.29 174.26 2jqz s SER 138 N 0.94 6.04 -0.07 6.67 1.04 -1.21 -2.12 113.70 124.98 2jqz s SER 138 Ca -0.07 2.19 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 2jqz s SER 138 Cb -0.09 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 2jqz s SER 138 CO -0.05 -1.00 0.06 -0.13 0.98 0.00 0.00 173.24 173.10 2jqz s ARG 139 N -3.00 3.11 0.00 4.02 1.81 -1.12 -4.86 118.95 118.92 2jqz s ARG 139 Ca 0.68 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 54.32 2jqz s ARG 139 Cb -0.25 -2.91 0.00 0.00 -0.45 0.00 0.00 34.95 31.35 2jqz s ARG 139 CO 0.29 0.71 0.00 -3.47 -0.68 0.00 0.00 175.30 172.15