#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 0.74 -0.10 1.61 0.02 -1.26 -4.85 135.00 131.15 2jqz s PRO 11 Ca 0.00 0.99 0.03 0.00 0.02 0.00 0.00 61.00 62.04 2jqz s PRO 11 Cb 0.00 -1.74 -0.00 0.00 0.02 0.00 0.00 34.50 32.78 2jqz s PRO 11 CO 0.00 -2.65 -0.22 0.14 -0.33 0.00 0.00 177.00 173.94 2jqz s VAL 12 N -2.77 2.26 -0.21 3.83 -7.23 -0.32 -4.77 120.40 111.18 2jqz s VAL 12 Ca 0.65 -0.96 -0.25 0.00 -1.81 0.00 0.00 61.98 59.62 2jqz s VAL 12 Cb -0.21 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 2jqz s VAL 12 CO 0.59 0.56 0.84 -0.75 -0.31 0.00 0.00 175.10 176.02 2jqz s LYS 13 N 0.26 4.23 -0.01 4.82 2.20 -1.26 -0.14 119.74 129.84 2jqz s LYS 13 Ca -0.15 0.99 0.06 0.00 -0.36 0.00 0.00 55.97 56.51 2jqz s LYS 13 Cb -0.17 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2jqz s LYS 13 CO 0.08 -0.44 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.26 2jqz s LEU 14 N 2.57 2.04 -0.39 5.43 1.98 -0.80 -4.20 118.68 125.31 2jqz s LEU 14 Ca 0.37 -0.35 -0.13 0.00 -2.89 0.00 0.00 54.13 51.13 2jqz s LEU 14 Cb -0.16 -0.99 0.02 0.00 0.66 0.00 0.00 46.19 45.72 2jqz s LEU 14 CO 0.09 0.24 0.25 -0.13 -1.89 0.00 0.00 176.35 174.91 2jqz s ARG 15 N -0.46 2.91 -0.44 1.98 0.52 -1.04 -2.01 118.95 120.40 2jqz s ARG 15 Ca 0.07 -1.04 -0.18 0.00 -0.52 0.00 0.00 55.73 54.06 2jqz s ARG 15 Cb -0.07 -3.85 0.03 0.00 0.52 0.00 0.00 34.95 31.58 2jqz s ARG 15 CO -0.01 -0.72 0.52 -1.17 0.02 0.00 0.00 175.30 173.95 2jqz s LEU 16 N 1.62 4.83 -0.35 2.53 0.20 -0.91 -2.60 118.68 123.99 2jqz s LEU 16 Ca 0.03 -0.66 -0.17 0.00 0.69 0.00 0.00 54.13 54.02 2jqz s LEU 16 Cb -0.19 -2.47 -0.00 0.00 -0.43 0.00 0.00 46.19 43.09 2jqz s LEU 16 CO 0.08 -0.69 0.48 -0.89 -0.29 0.00 0.00 176.35 175.04 2jqz s THR 17 N 2.37 5.05 -0.96 3.68 2.01 0.01 -2.47 115.64 125.34 2jqz s THR 17 Ca 0.15 0.27 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 2jqz s THR 17 Cb -0.17 -3.93 0.08 0.00 0.01 0.00 0.00 72.50 68.48 2jqz s THR 17 CO 0.14 -0.19 1.31 -0.69 -0.69 0.00 0.00 174.62 174.50 2jqz s VAL 18 N 2.31 4.19 0.00 3.82 1.01 0.56 -0.71 120.40 131.58 2jqz s VAL 18 Ca 0.17 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2jqz s VAL 18 Cb -0.16 -4.94 -0.13 0.00 0.00 0.00 0.00 36.38 31.15 2jqz s VAL 18 CO 0.13 -1.77 1.00 0.25 0.00 0.00 0.00 175.10 174.71 2jqz h LEU 19 N 11.96 -0.69 -7.91 3.92 5.85 -1.64 0.20 115.31 127.00 2jqz h LEU 19 Ca 0.13 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.94 2jqz h LEU 19 Cb 1.02 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 2jqz h LEU 19 CO 1.30 -0.30 0.33 0.00 -0.34 0.00 0.00 178.44 179.43 2jqz s ALA 21 N -3.34 1.15 0.30 0.00 0.00 -1.03 -0.27 121.76 118.57 2jqz s ALA 21 Ca 0.13 -0.98 0.11 0.00 0.00 0.00 0.00 51.96 51.21 2jqz s ALA 21 Cb -0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2jqz s ALA 21 CO 0.07 0.16 -0.15 0.15 0.00 0.00 0.00 175.76 175.99 2jqz s LYS 22 N -1.71 1.77 -0.66 0.00 -0.14 0.20 -3.25 119.74 115.95 2jqz s LYS 22 Ca -0.02 -1.81 -0.17 0.00 -1.36 0.00 0.00 55.97 52.61 2jqz s LYS 22 Cb -0.10 -1.78 0.03 0.00 -1.68 0.00 0.00 37.83 34.30 2jqz s LYS 22 CO 0.02 0.26 0.63 -1.71 -0.76 0.00 0.00 175.35 173.79 2jqz n ASN 23 N -0.71 -5.22 -4.65 2.83 4.05 -1.07 -0.63 115.26 109.86 2jqz n ASN 23 Ca -0.05 -0.59 -0.43 0.00 0.45 0.00 0.00 54.58 53.96 2jqz n ASN 23 Cb 0.61 -1.79 -0.02 0.00 1.23 0.00 0.00 39.78 39.81 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2jqz s LEU 24 N -3.86 4.07 -0.26 1.20 1.98 -0.05 -3.17 118.68 118.59 2jqz s LEU 24 Ca 0.17 1.39 -0.31 0.00 -2.89 0.00 0.00 54.13 52.48 2jqz s LEU 24 Cb -0.02 -3.54 -0.08 0.00 0.66 0.00 0.00 46.19 43.21 2jqz s LEU 24 CO 0.88 -0.78 2.19 0.55 -1.89 0.00 0.00 176.35 177.31 2jqz n VAL 25 N 5.53 0.30 1.51 1.68 3.14 -1.16 -4.71 118.33 124.63 2jqz n VAL 25 Ca 0.13 -0.37 0.10 0.00 -2.96 0.00 0.00 64.34 61.24 2jqz n VAL 25 Cb 0.46 -2.18 0.57 0.00 -1.06 0.00 0.00 33.84 31.63 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 8.44 0.76 0.00 1.45 2.85 -1.26 -4.55 118.16 125.84 2jqz n LYS 26 Ca 0.34 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 2jqz n LYS 26 Cb 0.36 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 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 -0.90 0.00 -3.75 -1.58 4.76 -1.26 -4.24 118.16 111.20 2jqz n LYS 27 Ca 0.14 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.22 2jqz n LYS 27 Cb 0.07 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.16 2jqz n LYS 27 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2jqz s ASP 28 N -4.00 5.96 0.02 4.39 2.15 -1.26 -5.02 116.67 118.91 2jqz s ASP 28 Ca 0.00 0.10 -0.05 0.00 0.43 0.00 0.00 52.55 53.03 2jqz s ASP 28 Cb 0.00 -2.06 -0.01 0.00 -0.30 0.00 0.00 42.92 40.54 2jqz s ASP 28 CO 0.00 0.10 1.08 0.15 -0.17 0.00 0.00 175.17 176.33 2jqz h PHE 29 N 7.27 -0.26 0.00 -5.34 3.57 -2.02 0.42 116.94 120.58 2jqz h PHE 29 Ca -0.38 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2jqz h PHE 29 Cb 1.17 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2jqz h PHE 29 CO 0.63 -0.07 0.29 0.35 -2.23 0.00 0.00 178.31 177.29 2jqz h PHE 30 N -0.04 0.00 -1.57 0.41 3.57 -1.95 -3.41 116.94 113.96 2jqz h PHE 30 Ca 0.02 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.03 2jqz h PHE 30 Cb 0.08 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 2jqz h PHE 30 CO -0.74 0.00 -0.38 1.03 -2.23 0.00 0.00 178.31 175.99 2jqz s ARG 31 N -3.71 2.59 0.00 1.11 0.52 0.15 -5.15 118.95 114.46 2jqz s ARG 31 Ca -0.02 -1.47 -0.03 0.00 -0.52 0.00 0.00 55.73 53.68 2jqz s ARG 31 Cb 0.06 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 33.10 2jqz s ARG 31 CO 0.20 -0.15 0.05 -0.51 0.02 0.00 0.00 175.30 174.91 2jqz s LEU 32 N -4.13 1.89 0.31 2.53 2.01 -1.26 -4.53 118.68 115.51 2jqz s LEU 32 Ca 0.47 -0.24 0.02 0.00 0.01 0.00 0.00 54.13 54.40 2jqz s LEU 32 Cb -0.04 0.32 -0.03 0.00 0.01 0.00 0.00 46.19 46.44 2jqz s LEU 32 CO 0.28 -0.25 0.48 -2.16 1.01 0.00 0.00 176.35 175.71 2jqz s PRO 33 N -1.05 3.46 -0.60 1.29 0.04 -1.26 -4.74 135.00 132.13 2jqz s PRO 33 Ca -0.11 -0.51 0.04 0.00 0.04 0.00 0.00 61.00 60.46 2jqz s PRO 33 Cb -0.07 -2.75 0.15 0.00 0.04 0.00 0.00 34.50 31.88 2jqz s PRO 33 CO 0.00 0.25 0.38 -0.51 0.04 0.00 0.00 177.00 177.16 2jqz s ASP 34 N -4.02 4.35 0.39 6.66 1.11 -1.26 -2.21 116.67 121.69 2jqz s ASP 34 Ca 0.38 -3.42 -0.27 0.00 0.18 0.00 0.00 52.55 49.42 2jqz s ASP 34 Cb -0.09 -1.51 -0.09 0.00 1.07 0.00 0.00 42.92 42.29 2jqz s ASP 34 CO 0.33 -0.15 1.33 -2.16 1.18 0.00 0.00 175.17 175.70 2jqz s PRO 35 N -0.82 4.06 0.18 8.23 0.04 -1.17 -0.76 135.00 144.76 2jqz s PRO 35 Ca 0.22 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.36 2jqz s PRO 35 Cb -0.13 -2.85 0.01 0.00 0.04 0.00 0.00 34.50 31.57 2jqz s PRO 35 CO -0.10 -0.45 0.41 -0.59 0.04 0.00 0.00 177.00 176.32 2jqz s PHE 36 N -1.21 0.14 0.22 0.56 -0.71 -0.78 -0.07 117.98 116.13 2jqz s PHE 36 Ca 0.55 -0.49 0.11 0.00 -1.04 0.00 0.00 56.93 56.05 2jqz s PHE 36 Cb -0.40 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.55 2jqz s PHE 36 CO 0.52 -0.83 -0.17 0.00 -1.34 0.00 0.00 175.22 173.40 2jqz s ALA 37 N -3.92 2.74 -0.10 1.99 0.00 -1.14 -1.54 121.76 119.80 2jqz s ALA 37 Ca 0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.39 2jqz s ALA 37 Cb 0.01 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.74 2jqz s ALA 37 CO -0.01 0.38 0.15 0.21 0.00 0.00 0.00 175.76 176.49 2jqz s LYS 38 N -3.03 0.03 0.07 0.00 2.20 0.48 -0.25 119.74 119.25 2jqz s LYS 38 Ca 0.25 0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 56.07 2jqz s LYS 38 Cb -0.07 -0.54 -0.06 0.00 -1.51 0.00 0.00 37.83 35.64 2jqz s LYS 38 CO 0.13 -0.38 0.69 0.08 -0.36 0.00 0.00 175.35 175.52 2jqz s VAL 39 N 2.27 4.67 -0.02 4.02 1.01 0.81 -1.47 120.40 131.68 2jqz s VAL 39 Ca 0.04 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2jqz s VAL 39 Cb -0.13 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.22 2jqz s VAL 39 CO -0.06 0.46 -0.04 0.68 0.00 0.00 0.00 175.10 176.14 2jqz s VAL 40 N -0.61 0.39 -0.42 2.92 -7.23 -1.02 -2.04 120.40 112.39 2jqz s VAL 40 Ca 0.34 -0.14 -0.13 0.00 -1.81 0.00 0.00 61.98 60.24 2jqz s VAL 40 Cb -0.21 -0.37 0.05 0.00 0.56 0.00 0.00 36.38 36.41 2jqz s VAL 40 CO 0.22 0.14 0.30 -0.69 -0.31 0.00 0.00 175.10 174.76 2jqz s VAL 41 N 0.31 4.91 -0.98 1.32 1.01 -1.13 -2.54 120.40 123.31 2jqz s VAL 41 Ca -0.03 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 2jqz s VAL 41 Cb -0.07 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 2jqz s VAL 41 CO -0.00 -0.40 2.08 -0.62 0.00 0.00 0.00 175.10 176.15 2jqz s ASP 42 N 1.99 4.56 0.00 3.32 2.15 -1.13 -1.42 116.67 126.14 2jqz s ASP 42 Ca 0.04 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.21 2jqz s ASP 42 Cb -0.21 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 2jqz s ASP 42 CO 0.07 -3.41 0.00 0.61 -0.17 0.00 0.00 175.17 172.27 2jqz n GLY 43 N 6.48 1.03 3.31 2.66 0.00 -1.26 -4.30 105.19 113.10 2jqz n GLY 43 Ca 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 2jqz n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jqz s SER 44 N 0.00 1.82 -0.49 1.61 0.01 -0.50 -5.05 113.70 111.10 2jqz s SER 44 Ca 0.00 -1.16 -0.02 0.00 1.31 0.00 0.00 55.95 56.08 2jqz s SER 44 Cb 0.00 0.00 0.21 0.00 0.21 0.00 0.00 66.02 66.45 2jqz s SER 44 CO 0.00 -0.46 2.31 0.61 0.41 0.00 0.00 173.24 176.11 2jqz n GLY 45 N -0.35 4.65 3.50 3.44 0.00 -1.26 -4.30 105.19 110.86 2jqz n GLY 45 Ca -0.07 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.37 3.38 0.14 1.61 -0.21 -1.26 -5.04 119.66 115.90 2jqz s GLN 46 Ca 0.49 -0.72 0.10 0.00 0.02 0.00 0.00 55.36 55.25 2jqz s GLN 46 Cb 0.36 -3.78 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 2jqz s GLN 46 CO -0.14 -0.48 -0.23 0.00 -2.12 0.00 0.00 175.29 172.32 2jqz s HIS 48 N -1.33 0.64 -0.16 0.00 3.76 -0.87 -4.93 115.29 112.41 2jqz s HIS 48 Ca 0.13 -0.96 -0.22 0.00 -0.15 0.00 0.00 55.06 53.86 2jqz s HIS 48 Cb -0.09 -0.11 0.06 0.00 1.11 0.00 0.00 32.58 33.55 2jqz s HIS 48 CO 0.06 -0.83 0.57 -1.54 -0.85 0.00 0.00 174.74 172.16 2jqz s SER 49 N -3.06 -0.57 0.04 1.40 1.04 -1.26 -0.13 113.70 111.16 2jqz s SER 49 Ca 0.27 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2jqz s SER 49 Cb 0.03 0.95 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 2jqz s SER 49 CO 0.09 -0.32 0.15 0.42 0.98 0.00 0.00 173.24 174.56 2jqz s THR 50 N -0.21 5.08 0.83 2.02 -4.23 0.66 -4.93 115.64 114.86 2jqz s THR 50 Ca -0.04 -0.45 -0.15 0.00 -1.18 0.00 0.00 61.69 59.87 2jqz s THR 50 Cb -0.03 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 2jqz s THR 50 CO 0.03 0.20 0.19 0.47 -0.54 0.00 0.00 174.62 174.97 2jqz n ASP 51 N 0.58 -2.57 -4.87 3.99 8.00 -1.26 -2.86 116.55 117.55 2jqz n ASP 51 Ca -0.08 0.43 -0.33 0.00 0.71 0.00 0.00 54.79 55.53 2jqz n ASP 51 Cb 0.52 -1.10 -0.05 0.00 -0.02 0.00 0.00 41.12 40.46 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jqz s THR 52 N -2.10 4.91 -0.33 -3.53 2.01 -1.26 -4.38 115.64 110.97 2jqz s THR 52 Ca 0.57 0.55 -0.03 0.00 0.31 0.00 0.00 61.69 63.08 2jqz s THR 52 Cb -0.28 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.64 2jqz s THR 52 CO 0.66 -0.01 0.06 -0.69 -0.69 0.00 0.00 174.62 173.95 2jqz s VAL 53 N -1.75 3.29 0.30 3.82 1.01 0.90 -4.97 120.40 123.01 2jqz s VAL 53 Ca 0.46 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2jqz s VAL 53 Cb -0.12 -2.93 -0.11 0.00 0.00 0.00 0.00 36.38 33.22 2jqz s VAL 53 CO 0.21 -0.20 1.54 -0.54 0.00 0.00 0.00 175.10 176.10 2jqz s LYS 54 N 1.29 4.15 -0.00 2.72 3.01 -1.26 -3.06 119.74 126.58 2jqz s LYS 54 Ca -0.02 2.52 -0.00 0.00 -1.01 0.00 0.00 55.97 57.45 2jqz s LYS 54 Cb -0.20 -3.03 0.00 0.00 -1.01 0.00 0.00 37.83 33.59 2jqz s LYS 54 CO -0.00 -0.56 0.01 0.27 0.51 0.00 0.00 175.35 175.57 2jqz n ASN 55 N 1.81 -0.13 -3.84 2.83 2.04 -1.11 -4.94 115.26 111.92 2jqz n ASN 55 Ca 0.06 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.11 2jqz n ASN 55 Cb 0.38 -0.03 -0.08 0.00 -2.53 0.00 0.00 39.78 37.52 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 -0.02 0.12 -0.58 5.53 -1.32 -0.94 -4.94 115.64 113.48 2jqz s THR 56 Ca 0.00 -0.97 0.06 0.00 -1.21 0.00 0.00 61.69 59.57 2jqz s THR 56 Cb -0.00 -1.05 0.13 0.00 -1.51 0.00 0.00 72.50 70.07 2jqz s THR 56 CO 0.01 -0.54 1.01 0.18 -2.21 0.00 0.00 174.62 173.07 2jqz n LEU 57 N 0.43 2.22 -2.97 9.08 4.77 -1.26 -4.52 117.00 124.75 2jqz n LEU 57 Ca -0.18 -1.71 -0.01 0.00 -0.03 0.00 0.00 56.01 54.08 2jqz n LEU 57 Cb 0.60 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2jqz n LEU 57 CO 0.22 0.54 0.15 1.51 -1.33 0.00 0.00 177.39 178.47 2jqz s ASP 58 N -0.86 -1.36 0.90 -1.43 -4.77 -1.26 -0.87 116.67 107.02 2jqz s ASP 58 Ca 0.11 -1.12 -0.09 0.00 -3.30 0.00 0.00 52.55 48.15 2jqz s ASP 58 Cb 0.06 1.76 0.15 0.00 -1.09 0.00 0.00 42.92 43.80 2jqz s ASP 58 CO 0.08 -0.10 0.90 -0.81 0.70 0.00 0.00 175.17 175.94 2jqz n PRO 59 N 3.66 -0.66 -3.60 2.11 -0.04 -1.20 -4.91 135.00 130.36 2jqz n PRO 59 Ca 0.14 -1.63 -0.15 0.00 -0.04 0.00 0.00 63.50 61.82 2jqz n PRO 59 Cb 0.57 -0.85 -0.07 0.00 -0.04 0.00 0.00 33.50 33.11 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 -4.91 0.86 0.00 0.54 0.00 -1.26 -2.47 119.74 112.50 2jqz s LYS 60 Ca 0.53 0.73 0.00 0.00 0.00 0.00 0.00 55.97 57.23 2jqz s LYS 60 Cb -0.02 0.41 0.00 0.00 0.00 0.00 0.00 37.83 38.23 2jqz s LYS 60 CO 0.37 -0.16 0.00 0.91 0.00 0.00 0.00 175.35 176.46 2jqz n TRP 61 N 2.09 0.00 -3.07 1.78 8.01 -1.13 -4.98 117.44 120.14 2jqz n TRP 61 Ca -0.15 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 55.87 2jqz n TRP 61 Cb 0.56 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.84 2jqz n TRP 61 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2jqz n ASN 62 N -1.21 -2.74 -4.62 -0.99 6.94 0.66 -4.92 115.26 108.38 2jqz n ASN 62 Ca 0.00 -0.12 -0.34 0.00 -0.02 0.00 0.00 54.58 54.10 2jqz n ASN 62 Cb 0.15 -2.35 -0.10 0.00 -2.36 0.00 0.00 39.78 35.12 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2jqz s GLN 63 N -5.67 3.11 -0.01 -3.83 -0.21 -1.02 -4.87 119.66 107.16 2jqz s GLN 63 Ca 0.26 -0.46 0.07 0.00 0.02 0.00 0.00 55.36 55.25 2jqz s GLN 63 Cb -0.14 -2.79 -0.02 0.00 1.00 0.00 0.00 33.01 31.06 2jqz s GLN 63 CO 0.31 0.58 -0.22 -3.38 -2.12 0.00 0.00 175.29 170.47 2jqz s HIS 64 N -0.56 2.46 -0.03 0.91 -3.43 -1.26 -0.32 115.29 113.05 2jqz s HIS 64 Ca 0.09 -0.34 0.06 0.00 -0.80 0.00 0.00 55.06 54.08 2jqz s HIS 64 Cb -0.12 -1.52 -0.01 0.00 -1.43 0.00 0.00 32.58 29.50 2jqz s HIS 64 CO 0.02 0.08 -0.22 0.71 -2.00 0.00 0.00 174.74 173.33 2jqz s TYR 65 N -0.70 2.01 -0.29 0.38 2.02 -1.03 -4.93 117.35 114.80 2jqz s TYR 65 Ca 0.11 -0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 2jqz s TYR 65 Cb -0.10 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2jqz s TYR 65 CO 0.00 -0.09 0.22 0.16 -1.57 0.00 0.00 175.55 174.28 2jqz s ASP 66 N -0.36 6.06 -0.00 2.29 -4.77 -1.26 -2.13 116.67 116.49 2jqz s ASP 66 Ca 0.04 -0.06 0.04 0.00 -3.30 0.00 0.00 52.55 49.27 2jqz s ASP 66 Cb -0.10 -2.14 -0.01 0.00 -1.09 0.00 0.00 42.92 39.58 2jqz s ASP 66 CO 0.00 -0.11 -0.13 -0.76 0.70 0.00 0.00 175.17 174.88 2jqz s LEU 67 N 1.79 2.05 0.38 2.11 1.43 -0.85 -4.90 118.68 120.69 2jqz s LEU 67 Ca 0.08 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 2jqz s LEU 67 Cb -0.16 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.30 2jqz s LEU 67 CO 0.11 0.14 0.96 -0.31 0.23 0.00 0.00 176.35 177.47 2jqz s TYR 68 N -0.40 3.48 -0.24 0.29 2.02 -1.26 -1.91 117.35 119.34 2jqz s TYR 68 Ca 0.04 1.69 0.01 0.00 -0.37 0.00 0.00 57.07 58.45 2jqz s TYR 68 Cb -0.05 -2.91 0.06 0.00 -0.40 0.00 0.00 41.96 38.65 2jqz s TYR 68 CO -0.00 -0.02 -0.08 0.42 -1.57 0.00 0.00 175.55 174.30 2jqz s ILE 69 N -1.87 1.73 0.00 2.71 -1.09 0.80 -4.83 121.20 118.65 2jqz s ILE 69 Ca 0.56 -1.31 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 2jqz s ILE 69 Cb -0.15 -1.92 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 2jqz s ILE 69 CO 0.19 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.47 2jqz n GLY 70 N 4.61 -2.05 0.43 6.18 0.00 -1.26 -1.18 105.19 111.92 2jqz n GLY 70 Ca -0.13 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 2jqz n GLY 70 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jqz h LYS 71 N 0.00 -0.59 -1.89 1.61 1.63 -1.99 -3.16 116.57 112.17 2jqz h LYS 71 Ca 0.00 0.04 -0.58 0.00 -0.85 0.00 0.00 60.65 59.26 2jqz h LYS 71 Cb 0.00 0.13 -0.42 0.00 -0.60 0.00 0.00 32.23 31.35 2jqz h LYS 71 CO 0.00 -0.39 -0.71 0.45 -3.45 0.00 0.00 179.45 175.34 2jqz n SER 72 N -5.46 4.40 -4.86 4.20 2.88 -1.26 -4.99 113.62 108.53 2jqz n SER 72 Ca -0.06 -3.65 -0.21 0.00 -1.33 0.00 0.00 58.87 53.61 2jqz n SER 72 Cb 0.38 -0.52 -0.04 0.00 -0.75 0.00 0.00 64.21 63.29 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 -3.47 5.62 -0.01 -3.46 2.15 -1.20 -4.99 116.67 111.31 2jqz s ASP 73 Ca 0.48 -0.25 -0.09 0.00 0.43 0.00 0.00 52.55 53.11 2jqz s ASP 73 Cb 0.34 -1.36 0.01 0.00 -0.30 0.00 0.00 42.92 41.61 2jqz s ASP 73 CO -0.16 -0.14 0.18 -0.55 -0.17 0.00 0.00 175.17 174.34 2jqz s SER 74 N -3.92 -0.04 -0.02 -0.34 0.15 -1.26 -2.23 113.70 106.04 2jqz s SER 74 Ca 0.36 -0.08 0.07 0.00 0.70 0.00 0.00 55.95 56.99 2jqz s SER 74 Cb -0.08 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2jqz s SER 74 CO 0.26 -0.35 -0.23 -0.69 1.20 0.00 0.00 173.24 173.43 2jqz s VAL 75 N -1.21 2.34 -0.20 4.45 1.01 -0.82 -2.86 120.40 123.12 2jqz s VAL 75 Ca -0.13 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 2jqz s VAL 75 Cb -0.06 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.52 2jqz s VAL 75 CO 0.02 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.77 2jqz s THR 76 N -0.66 1.12 -0.26 3.92 2.01 -1.05 -2.09 115.64 118.63 2jqz s THR 76 Ca 0.11 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 2jqz s THR 76 Cb -0.10 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 2jqz s THR 76 CO -0.00 -0.05 0.58 -0.63 -0.69 0.00 0.00 174.62 173.83 2jqz s ILE 77 N 1.60 5.02 0.29 1.82 1.01 -0.07 -2.42 121.20 128.44 2jqz s ILE 77 Ca -0.02 1.02 0.09 0.00 0.00 0.00 0.00 60.65 61.74 2jqz s ILE 77 Cb -0.17 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2jqz s ILE 77 CO -0.07 0.05 0.06 -0.94 0.00 0.00 0.00 174.94 174.04 2jqz s SER 78 N 1.50 4.68 -0.05 3.58 1.04 -0.54 -0.04 113.70 123.87 2jqz s SER 78 Ca 0.24 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2jqz s SER 78 Cb -0.16 -0.87 0.02 0.00 0.10 0.00 0.00 66.02 65.12 2jqz s SER 78 CO 0.09 -0.09 -0.07 -0.69 0.98 0.00 0.00 173.24 173.45 2jqz s VAL 79 N -2.34 0.74 0.19 5.02 1.01 -0.22 -0.38 120.40 124.42 2jqz s VAL 79 Ca 0.33 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.16 2jqz s VAL 79 Cb -0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2jqz s VAL 79 CO 0.21 0.26 -0.21 0.26 0.00 0.00 0.00 175.10 175.62 2jqz s TRP 80 N 0.71 2.10 -0.61 5.22 0.52 -0.59 -1.96 118.94 124.34 2jqz s TRP 80 Ca -0.11 -0.40 -0.18 0.00 0.02 0.00 0.00 56.10 55.43 2jqz s TRP 80 Cb -0.14 -1.03 0.12 0.00 -1.15 0.00 0.00 33.47 31.27 2jqz s TRP 80 CO 0.01 0.45 0.67 -0.80 0.02 0.00 0.00 176.95 177.31 2jqz s ASN 81 N -2.74 6.24 0.40 2.95 0.02 0.78 -1.86 114.94 120.74 2jqz s ASN 81 Ca 0.19 -1.64 0.25 0.00 -1.02 0.00 0.00 52.86 50.64 2jqz s ASN 81 Cb -0.07 -2.28 1.33 0.00 0.02 0.00 0.00 41.25 40.26 2jqz s ASN 81 CO 0.09 -1.01 1.63 -0.74 0.02 0.00 0.00 177.10 177.09 2jqz h HIS 82 N 9.00 0.67 0.22 2.20 -0.00 -1.22 0.29 115.15 126.31 2jqz h HIS 82 Ca -0.25 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.14 2jqz h HIS 82 Cb 1.08 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 28.33 2jqz h HIS 82 CO 0.83 -0.24 -0.13 0.87 -0.00 0.00 0.00 177.93 179.26 2jqz h LYS 83 N 0.13 -0.32 0.00 5.26 1.79 -1.92 -2.72 116.57 118.79 2jqz h LYS 83 Ca 0.80 0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 59.13 2jqz h LYS 83 Cb 2.29 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 32.99 2jqz h LYS 83 CO -0.52 -0.22 -0.78 0.87 -1.08 0.00 0.00 179.45 177.73 2jqz h LYS 84 N -0.34 0.00 -0.23 3.15 1.79 -0.88 -2.40 116.57 117.67 2jqz h LYS 84 Ca -0.02 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 2jqz h LYS 84 Cb 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2jqz h LYS 84 CO 0.03 0.78 0.16 -0.84 -1.08 0.00 0.00 179.45 178.50 2jqz h ILE 85 N 0.00 0.90 0.02 1.86 3.07 -0.67 0.79 117.51 123.49 2jqz h ILE 85 Ca -0.01 -0.01 -0.22 0.00 1.55 0.00 0.00 64.86 66.17 2jqz h ILE 85 Cb 1.57 0.87 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 2jqz h ILE 85 CO 0.10 0.01 -1.01 -0.74 -1.05 0.00 0.00 178.15 175.45 2jqz h HIS 86 N 0.03 0.09 0.00 0.16 2.76 -1.36 -3.09 115.15 113.75 2jqz h HIS 86 Ca 0.11 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2jqz h HIS 86 Cb 0.38 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2jqz h HIS 86 CO -0.00 1.02 0.04 1.17 -1.30 0.00 0.00 177.93 178.86 2jqz n LYS 87 N -3.42 0.07 -1.03 5.26 3.00 0.27 -4.94 118.16 117.37 2jqz n LYS 87 Ca -0.02 0.56 0.14 0.00 -0.00 0.00 0.00 58.31 58.99 2jqz n LYS 87 Cb 0.93 -1.78 -0.04 0.00 0.00 0.00 0.00 35.03 34.14 2jqz n LYS 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jqz n LYS 88 N -1.90 -2.07 0.00 1.64 4.76 -0.76 -4.87 118.16 114.96 2jqz n LYS 88 Ca -0.01 1.37 0.00 0.00 -2.87 0.00 0.00 58.31 56.80 2jqz n LYS 88 Cb 0.05 -2.53 0.00 0.00 -1.84 0.00 0.00 35.03 30.72 2jqz n LYS 88 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2jqz n GLN 89 N -3.32 0.00 0.22 1.97 6.02 -1.26 -2.56 117.38 118.45 2jqz n GLN 89 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.14 2jqz n GLN 89 Cb 0.47 0.00 0.76 0.00 1.02 0.00 0.00 30.24 32.49 2jqz n GLN 89 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2jqz h GLY 90 N 0.00 0.00 -4.94 1.08 0.00 -1.95 -3.42 103.07 93.84 2jqz h GLY 90 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2jqz h GLY 90 CO 0.00 0.00 0.95 0.00 0.00 0.00 0.00 176.54 177.49 2jqz s ALA 91 N -3.73 3.64 0.00 3.60 0.00 -1.06 -3.98 121.76 120.23 2jqz s ALA 91 Ca -0.03 1.06 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2jqz s ALA 91 Cb 0.08 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2jqz s ALA 91 CO 0.25 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2jqz n GLY 92 N 3.88 0.52 3.84 0.00 0.00 -1.24 -3.36 105.19 108.83 2jqz n GLY 92 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 3.40 0.08 1.61 5.36 -1.26 -0.15 117.98 127.02 2jqz s PHE 93 Ca 0.00 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 2jqz s PHE 93 Cb 0.00 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.08 2jqz s PHE 93 CO 0.00 0.10 0.00 1.28 -1.46 0.00 0.00 175.22 175.14 2jqz n LEU 94 N -0.25 0.22 -3.40 6.12 4.77 -0.85 -4.46 117.00 119.15 2jqz n LEU 94 Ca 0.03 0.12 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 2jqz n LEU 94 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2jqz n LEU 94 CO 0.41 -0.61 0.56 -0.83 -1.33 0.00 0.00 177.39 175.58 2jqz s GLY 95 N -3.85 -0.29 -0.23 -0.72 0.00 -0.83 -4.16 107.32 97.25 2jqz s GLY 95 Ca 0.00 2.91 -0.09 0.00 0.00 0.00 0.00 44.72 47.54 2jqz s GLY 95 CO 0.00 3.27 0.12 0.00 0.00 0.00 0.00 173.10 176.49 2jqz s VAL 97 N 1.04 4.76 -0.06 0.00 0.11 0.94 -4.74 120.40 122.45 2jqz s VAL 97 Ca 0.06 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2jqz s VAL 97 Cb -0.14 -3.13 0.02 0.00 -1.53 0.00 0.00 36.38 31.60 2jqz s VAL 97 CO 0.04 0.49 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.59 2jqz s ARG 98 N 0.14 1.51 -0.05 1.54 3.52 -1.26 -0.89 118.95 123.45 2jqz s ARG 98 Ca 0.05 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 2jqz s ARG 98 Cb -0.12 -1.31 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 2jqz s ARG 98 CO 0.01 -0.02 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.81 2jqz s LEU 99 N 0.80 1.84 0.00 -0.88 2.01 -0.89 -5.03 118.68 116.53 2jqz s LEU 99 Ca -0.12 -0.34 -0.02 0.00 0.01 0.00 0.00 54.13 53.66 2jqz s LEU 99 Cb -0.15 -0.93 0.04 0.00 0.01 0.00 0.00 46.19 45.16 2jqz s LEU 99 CO 0.02 0.11 0.25 0.18 1.01 0.00 0.00 176.35 177.93 2jqz n LEU 100 N 3.37 0.00 -0.08 1.79 4.77 -1.26 -1.95 117.00 123.64 2jqz n LEU 100 Ca -0.20 -0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 55.26 2jqz n LEU 100 Cb 0.53 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2jqz n LEU 100 CO 0.25 -0.65 0.84 0.77 -1.33 0.00 0.00 177.39 177.27 2jqz h SER 101 N -0.24 0.35 -0.47 -1.43 4.64 -1.83 0.21 113.55 114.78 2jqz h SER 101 Ca -0.08 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2jqz h SER 101 Cb 0.27 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2jqz h SER 101 CO 0.08 0.46 0.02 -0.55 -0.87 0.00 0.00 176.83 175.97 2jqz h ASN 102 N 0.22 0.79 -0.28 4.97 -1.07 -1.95 -2.50 115.58 115.76 2jqz h ASN 102 Ca 0.08 -0.29 -0.09 0.00 0.07 0.00 0.00 56.30 56.07 2jqz h ASN 102 Cb 0.24 -0.21 -0.02 0.00 -2.07 0.00 0.00 38.32 36.26 2jqz h ASN 102 CO -0.00 0.89 -0.12 0.00 0.07 0.00 0.00 177.43 178.27 2jqz h ALA 103 N 0.93 1.06 -0.79 4.14 0.00 -1.91 -2.75 119.26 119.94 2jqz h ALA 103 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2jqz h ALA 103 Cb 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2jqz h ALA 103 CO 0.02 0.57 0.44 0.82 0.00 0.00 0.00 179.25 181.10 2jqz h ILE 104 N 0.64 1.23 0.32 0.00 2.04 -0.29 -1.15 117.51 120.30 2jqz h ILE 104 Ca 0.11 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2jqz h ILE 104 Cb 0.57 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2jqz h ILE 104 CO 0.04 0.26 -0.15 -1.13 0.00 0.00 0.00 178.15 177.16 2jqz h ASN 105 N 1.11 -0.36 -0.99 1.72 -1.24 -1.24 0.36 115.58 114.94 2jqz h ASN 105 Ca 0.28 -0.16 0.12 0.00 0.71 0.00 0.00 56.30 57.26 2jqz h ASN 105 Cb 0.02 0.09 -0.09 0.00 0.73 0.00 0.00 38.32 39.08 2jqz h ASN 105 CO -0.05 0.10 0.61 0.03 -1.29 0.00 0.00 177.43 176.84 2jqz h ARG 106 N -0.97 0.93 0.02 6.67 3.08 -1.50 -0.39 114.38 122.21 2jqz h ARG 106 Ca -0.04 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 59.73 2jqz h ARG 106 Cb 0.50 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2jqz h ARG 106 CO 0.07 0.61 -0.94 -0.07 -1.07 0.00 0.00 179.97 178.57 2jqz h LEU 107 N 0.96 0.36 -1.96 3.04 4.07 -1.26 -2.78 115.31 117.74 2jqz h LEU 107 Ca 0.50 -0.31 0.22 0.00 0.08 0.00 0.00 57.88 58.37 2jqz h LEU 107 Cb 0.51 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 2jqz h LEU 107 CO -0.28 1.12 0.56 0.07 -1.08 0.00 0.00 178.44 178.84 2jqz h LYS 108 N 0.14 0.03 0.00 1.13 5.09 0.15 0.13 116.57 123.24 2jqz h LYS 108 Ca -0.07 -0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.37 2jqz h LYS 108 Cb 1.59 -0.01 -0.05 0.00 0.10 0.00 0.00 32.23 33.86 2jqz h LYS 108 CO 0.15 0.02 -1.96 -0.40 -2.09 0.00 0.00 179.45 175.17 2jqz n ASP 109 N -4.32 0.49 -0.08 7.07 5.68 -1.13 -3.05 116.55 121.21 2jqz n ASP 109 Ca 0.16 0.23 -0.07 0.00 -0.50 0.00 0.00 54.79 54.61 2jqz n ASP 109 Cb 0.84 0.46 -0.00 0.00 -1.14 0.00 0.00 41.12 41.27 2jqz n ASP 109 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2jqz h THR 110 N 0.00 0.51 0.00 2.12 1.35 -0.48 -3.46 112.91 112.95 2jqz h THR 110 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2jqz h THR 110 Cb 2.03 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2jqz h THR 110 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 2jqz n GLY 111 N -1.34 0.72 3.64 5.82 0.00 -0.80 -4.96 105.19 108.28 2jqz n GLY 111 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2jqz n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqz s TYR 112 N -2.14 -0.33 -0.23 1.61 2.02 -1.26 -4.19 117.35 112.82 2jqz s TYR 112 Ca 0.00 0.80 -0.05 0.00 -0.37 0.00 0.00 57.07 57.45 2jqz s TYR 112 Cb 0.00 0.41 0.12 0.00 -0.40 0.00 0.00 41.96 42.09 2jqz s TYR 112 CO 0.00 -0.17 0.43 -0.65 -1.57 0.00 0.00 175.55 173.59 2jqz s GLN 113 N 0.05 0.37 -0.57 -0.62 -1.52 0.53 -4.75 119.66 113.15 2jqz s GLN 113 Ca 0.04 0.86 -0.17 0.00 -1.95 0.00 0.00 55.36 54.14 2jqz s GLN 113 Cb -0.05 0.07 0.12 0.00 -0.22 0.00 0.00 33.01 32.93 2jqz s GLN 113 CO -0.09 -0.44 0.59 1.03 -0.25 0.00 0.00 175.29 176.14 2jqz s ARG 114 N 2.63 3.02 -0.20 2.91 0.52 -1.26 -0.94 118.95 125.63 2jqz s ARG 114 Ca 0.06 -1.57 -0.03 0.00 -0.52 0.00 0.00 55.73 53.67 2jqz s ARG 114 Cb -0.14 -4.29 -0.01 0.00 0.52 0.00 0.00 34.95 31.03 2jqz s ARG 114 CO -0.15 -1.42 -0.07 -0.51 0.02 0.00 0.00 175.30 173.18 2jqz s LEU 115 N 2.02 2.84 0.26 2.53 1.43 -0.28 -4.95 118.68 122.53 2jqz s LEU 115 Ca 0.07 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 2jqz s LEU 115 Cb -0.27 -1.70 -0.10 0.00 0.03 0.00 0.00 46.19 44.14 2jqz s LEU 115 CO 0.04 0.02 1.46 -1.81 0.23 0.00 0.00 176.35 176.29 2jqz s ASP 116 N 1.22 6.61 -0.06 2.29 1.01 -1.26 -1.34 116.67 125.14 2jqz s ASP 116 Ca 0.02 2.71 -0.25 0.00 0.71 0.00 0.00 52.55 55.74 2jqz s ASP 116 Cb -0.14 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 2jqz s ASP 116 CO -0.02 -0.73 0.76 -0.76 0.21 0.00 0.00 175.17 174.63 2jqz s LEU 117 N -0.40 4.32 0.35 1.23 1.43 0.18 -4.84 118.68 120.95 2jqz s LEU 117 Ca 0.60 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.82 2jqz s LEU 117 Cb -0.43 -3.18 0.04 0.00 0.03 0.00 0.00 46.19 42.65 2jqz s LEU 117 CO 0.44 -0.15 0.73 0.00 0.23 0.00 0.00 176.35 177.60 2jqz n LYS 119 N -0.51 -0.23 0.25 0.00 0.00 -1.26 -3.85 118.16 112.55 2jqz n LYS 119 Ca -0.06 -0.02 0.12 0.00 -0.00 0.00 0.00 58.31 58.34 2jqz n LYS 119 Cb 0.60 -1.84 0.63 0.00 -0.00 0.00 0.00 35.03 34.41 2jqz n LYS 119 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2jqz h LEU 120 N -1.45 0.00 0.00 -5.58 3.38 -1.93 -3.45 115.31 106.29 2jqz h LEU 120 Ca -0.44 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.19 2jqz h LEU 120 Cb 1.29 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.20 2jqz h LEU 120 CO 0.35 0.16 0.16 0.61 0.09 0.00 0.00 178.44 179.81 2jqz n GLY 121 N -0.37 -2.42 0.00 0.83 0.00 -1.26 -5.06 105.19 96.92 2jqz n GLY 121 Ca -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2jqz n GLY 121 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqz n PRO 122 N -4.08 0.00 -0.30 1.61 -0.04 -1.26 -4.68 135.00 126.24 2jqz n PRO 122 Ca 0.13 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 2jqz n PRO 122 Cb 0.49 -0.65 0.26 0.00 -0.04 0.00 0.00 33.50 33.57 2jqz n PRO 122 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jqz n ASN 123 N -1.89 3.59 0.46 3.54 0.23 -1.26 -4.58 115.26 115.34 2jqz n ASN 123 Ca 0.00 -2.01 -0.20 0.00 -0.53 0.00 0.00 54.58 51.85 2jqz n ASN 123 Cb 0.00 -0.40 -0.10 0.00 -2.08 0.00 0.00 39.78 37.21 2jqz n ASN 123 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2jqz h ASP 124 N 3.44 -1.02 -5.89 0.53 3.58 -1.97 -3.48 116.42 111.62 2jqz h ASP 124 Ca 0.00 0.04 -0.17 0.00 0.42 0.00 0.00 57.03 57.32 2jqz h ASP 124 Cb 0.90 0.27 0.01 0.00 1.72 0.00 0.00 39.33 42.23 2jqz h ASP 124 CO 0.00 -0.71 -0.86 -3.20 -2.88 0.00 0.00 179.24 171.59 2jqz n ASN 125 N -5.59 -6.82 -3.81 2.28 4.05 -1.26 -5.03 115.26 99.07 2jqz n ASN 125 Ca -0.15 0.27 -0.12 0.00 0.45 0.00 0.00 54.58 55.03 2jqz n ASN 125 Cb 0.47 -3.58 -0.12 0.00 1.23 0.00 0.00 39.78 37.78 2jqz n ASN 125 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 2jqz s ASP 126 N -1.98 -0.17 -1.24 1.20 1.01 -1.26 -4.85 116.67 109.37 2jqz s ASP 126 Ca 0.29 0.31 -0.06 0.00 0.71 0.00 0.00 52.55 53.80 2jqz s ASP 126 Cb -0.05 0.37 0.04 0.00 1.01 0.00 0.00 42.92 44.29 2jqz s ASP 126 CO 0.78 -0.11 0.36 0.35 0.21 0.00 0.00 175.17 176.77 2jqz n THR 127 N 2.78 -1.01 -4.01 -1.27 -2.24 -1.26 -4.52 114.28 102.75 2jqz n THR 127 Ca -0.14 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 2jqz n THR 127 Cb 0.58 -2.01 -0.10 0.00 -2.10 0.00 0.00 70.33 66.70 2jqz n THR 127 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2jqz s VAL 128 N -2.87 0.18 0.00 2.28 -7.23 -1.26 -4.75 120.40 106.75 2jqz s VAL 128 Ca 0.27 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2jqz s VAL 128 Cb -0.14 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.59 2jqz s VAL 128 CO 0.33 -0.81 0.00 -1.14 -0.31 0.00 0.00 175.10 173.18 2jqz n ARG 129 N 0.40 0.00 -3.69 4.82 0.63 -1.26 -4.96 116.66 112.61 2jqz n ARG 129 Ca -0.16 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.74 2jqz n ARG 129 Cb 0.60 0.00 0.02 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 0.63 3.38 5.14 0.00 -0.93 -2.96 105.19 110.44 2jqz n GLY 130 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.04 1.62 -0.24 1.61 1.11 0.20 0.48 119.66 122.39 2jqz s GLN 131 Ca 0.22 -1.70 -0.23 0.00 0.01 0.00 0.00 55.36 53.65 2jqz s GLN 131 Cb -0.02 0.37 0.06 0.00 -1.01 0.00 0.00 33.01 32.41 2jqz s GLN 131 CO 0.05 -0.62 0.66 -1.50 0.01 0.00 0.00 175.29 173.88 2jqz s ILE 132 N -3.60 0.00 -0.30 1.08 2.07 -0.45 -0.63 121.20 119.37 2jqz s ILE 132 Ca 0.34 -0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.53 2jqz s ILE 132 Cb 0.02 -0.92 0.03 0.00 0.13 0.00 0.00 42.46 41.72 2jqz s ILE 132 CO 0.18 -0.00 0.04 -0.69 -1.91 0.00 0.00 174.94 172.56 2jqz s VAL 133 N 0.32 3.52 0.49 4.00 1.01 0.63 -1.13 120.40 129.24 2jqz s VAL 133 Ca -0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2jqz s VAL 133 Cb -0.05 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2jqz s VAL 133 CO 0.01 0.01 0.18 1.33 0.00 0.00 0.00 175.10 176.63 2jqz n VAL 134 N 4.77 0.00 -3.69 2.92 0.24 -0.11 -1.85 118.33 120.60 2jqz n VAL 134 Ca -0.14 -2.12 -0.11 0.00 -2.04 0.00 0.00 64.34 59.92 2jqz n VAL 134 Cb 0.46 0.21 -0.12 0.00 -1.47 0.00 0.00 33.84 32.92 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 -3.77 -0.25 -0.34 -1.34 1.04 0.12 -0.35 113.70 108.81 2jqz s SER 135 Ca 0.13 0.77 -0.10 0.00 0.48 0.00 0.00 55.95 57.23 2jqz s SER 135 Cb -0.01 0.77 0.01 0.00 0.10 0.00 0.00 66.02 66.89 2jqz s SER 135 CO 0.08 -0.20 0.18 -0.76 0.98 0.00 0.00 173.24 173.52 2jqz s LEU 136 N 1.77 4.39 -0.04 2.42 2.01 -1.26 -0.81 118.68 127.17 2jqz s LEU 136 Ca -0.06 -0.73 -0.05 0.00 0.01 0.00 0.00 54.13 53.29 2jqz s LEU 136 Cb -0.10 -2.02 0.01 0.00 0.01 0.00 0.00 46.19 44.09 2jqz s LEU 136 CO -0.11 -0.28 0.13 -1.58 1.01 0.00 0.00 176.35 175.52 2jqz s GLN 137 N 1.59 0.25 0.19 1.70 0.74 -1.07 -1.90 119.66 121.16 2jqz s GLN 137 Ca 0.03 0.01 -0.33 0.00 0.05 0.00 0.00 55.36 55.13 2jqz s GLN 137 Cb -0.18 0.11 -0.14 0.00 1.10 0.00 0.00 33.01 33.90 2jqz s GLN 137 CO 0.07 -0.04 1.54 -1.13 -0.55 0.00 0.00 175.29 175.17 2jqz n SER 138 N 2.56 3.09 -4.73 6.67 3.41 -1.20 -2.50 113.62 120.92 2jqz n SER 138 Ca -0.15 1.10 -0.30 0.00 -0.26 0.00 0.00 58.87 59.25 2jqz n SER 138 Cb 0.58 -1.44 0.13 0.00 -0.26 0.00 0.00 64.21 63.21 2jqz n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqz s ARG 139 N 0.51 1.54 0.00 4.33 3.03 -1.26 -4.83 118.95 122.28 2jqz s ARG 139 Ca 0.75 0.95 0.00 0.00 2.03 0.00 0.00 55.73 59.47 2jqz s ARG 139 Cb -0.65 -1.83 0.00 0.00 -1.03 0.00 0.00 34.95 31.43 2jqz s ARG 139 CO 0.41 -2.08 0.08 -3.47 -1.13 0.00 0.00 175.30 169.11