#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqz n PRO 11 N 0.00 -1.00 -4.62 1.61 -0.04 -1.26 -5.00 135.00 124.70 2jqz n PRO 11 Ca 0.00 -0.26 -0.34 0.00 -0.04 0.00 0.00 63.50 62.87 2jqz n PRO 11 Cb 0.00 -1.86 -0.12 0.00 -0.04 0.00 0.00 33.50 31.48 2jqz n PRO 11 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jqz s VAL 12 N -2.35 3.61 -0.71 0.52 -7.23 -0.99 -4.85 120.40 108.40 2jqz s VAL 12 Ca 0.58 -0.49 -0.24 0.00 -1.81 0.00 0.00 61.98 60.01 2jqz s VAL 12 Cb -0.18 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.31 2jqz s VAL 12 CO 0.66 0.56 1.12 -0.75 -0.31 0.00 0.00 175.10 176.38 2jqz s LYS 13 N -0.38 3.16 0.18 4.82 2.47 -1.26 -1.64 119.74 127.08 2jqz s LYS 13 Ca 0.05 -0.59 -0.00 0.00 -1.56 0.00 0.00 55.97 53.87 2jqz s LYS 13 Cb -0.12 -4.24 -0.04 0.00 -1.46 0.00 0.00 37.83 31.97 2jqz s LYS 13 CO 0.02 -1.97 0.36 -1.17 0.16 0.00 0.00 175.35 172.75 2jqz s LEU 14 N 4.80 4.26 -0.21 5.43 2.96 -0.80 -1.31 118.68 133.81 2jqz s LEU 14 Ca 0.28 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 2jqz s LEU 14 Cb -0.12 -3.12 0.06 0.00 0.50 0.00 0.00 46.19 43.51 2jqz s LEU 14 CO 0.12 -0.00 0.03 -0.60 -1.32 0.00 0.00 176.35 174.57 2jqz s ARG 15 N -3.20 0.79 -0.33 1.98 3.52 -0.14 -0.97 118.95 120.60 2jqz s ARG 15 Ca 0.38 -0.55 -0.16 0.00 -0.13 0.00 0.00 55.73 55.27 2jqz s ARG 15 Cb -0.11 -2.17 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 2jqz s ARG 15 CO 0.28 -0.66 0.39 -1.17 -0.81 0.00 0.00 175.30 173.33 2jqz s LEU 16 N 1.78 4.33 -0.42 -0.88 0.20 -1.04 -2.39 118.68 120.26 2jqz s LEU 16 Ca -0.01 -0.08 -0.16 0.00 0.69 0.00 0.00 54.13 54.57 2jqz s LEU 16 Cb -0.17 -2.39 0.02 0.00 -0.43 0.00 0.00 46.19 43.21 2jqz s LEU 16 CO -0.09 -0.32 0.38 -0.89 -0.29 0.00 0.00 176.35 175.14 2jqz s THR 17 N 2.09 5.15 -0.99 3.68 2.01 -0.27 -2.28 115.64 125.04 2jqz s THR 17 Ca 0.14 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.43 2jqz s THR 17 Cb -0.16 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.41 2jqz s THR 17 CO 0.12 -0.39 1.37 -0.69 -0.69 0.00 0.00 174.62 174.34 2jqz s VAL 18 N 1.95 4.08 -0.00 3.82 1.01 0.81 -0.93 120.40 131.14 2jqz s VAL 18 Ca 0.09 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 2jqz s VAL 18 Cb -0.18 -4.99 -0.13 0.00 0.00 0.00 0.00 36.38 31.08 2jqz s VAL 18 CO 0.12 -1.85 0.95 0.25 0.00 0.00 0.00 175.10 174.58 2jqz h LEU 19 N 12.31 -0.69 -7.90 3.92 5.85 -1.65 0.51 115.31 127.66 2jqz h LEU 19 Ca 0.17 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.00 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 1.36 -0.29 0.35 0.00 -0.34 0.00 0.00 178.44 179.51 2jqz s ALA 21 N -3.24 1.51 0.29 0.00 0.00 -0.85 -0.20 121.76 119.27 2jqz s ALA 21 Ca 0.13 -1.24 0.09 0.00 0.00 0.00 0.00 51.96 50.94 2jqz s ALA 21 Cb -0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 2jqz s ALA 21 CO 0.06 0.16 -0.11 0.15 0.00 0.00 0.00 175.76 176.02 2jqz s LYS 22 N -2.39 1.64 -0.84 0.00 -0.14 -0.00 -3.39 119.74 114.61 2jqz s LYS 22 Ca 0.07 -1.80 -0.01 0.00 -1.36 0.00 0.00 55.97 52.86 2jqz s LYS 22 Cb -0.07 -1.47 0.00 0.00 -1.68 0.00 0.00 37.83 34.62 2jqz s LYS 22 CO 0.03 0.16 0.61 -1.71 -0.76 0.00 0.00 175.35 173.68 2jqz n ASN 23 N -0.63 -4.89 -4.64 2.83 4.05 -1.15 -0.68 115.26 110.14 2jqz n ASN 23 Ca -0.06 -0.96 -0.43 0.00 0.45 0.00 0.00 54.58 53.58 2jqz n ASN 23 Cb 0.62 -1.75 -0.02 0.00 1.23 0.00 0.00 39.78 39.86 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 -5.02 3.98 -0.22 1.20 1.98 -0.07 -3.09 118.68 117.44 2jqz s LEU 24 Ca 0.01 1.25 -0.30 0.00 -2.89 0.00 0.00 54.13 52.21 2jqz s LEU 24 Cb -0.01 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.23 2jqz s LEU 24 CO 0.90 -0.90 2.17 0.55 -1.89 0.00 0.00 176.35 177.18 2jqz n VAL 25 N 5.82 0.36 0.20 1.68 3.14 -1.01 -4.63 118.33 123.89 2jqz n VAL 25 Ca 0.13 -0.37 0.10 0.00 -2.96 0.00 0.00 64.34 61.25 2jqz n VAL 25 Cb 0.46 -2.30 0.55 0.00 -1.06 0.00 0.00 33.84 31.50 2jqz n VAL 25 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 2jqz h LYS 26 N 13.69 0.00 0.00 1.45 2.10 -1.90 -3.42 116.57 128.50 2jqz h LYS 26 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2jqz h LYS 26 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2jqz h LYS 26 CO 0.97 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 180.05 2jqz n LYS 27 N -2.30 0.00 -3.14 0.07 4.76 -1.26 -3.25 118.16 113.04 2jqz n LYS 27 Ca -0.01 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.14 2jqz n LYS 27 Cb 0.22 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.38 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 -2.65 6.47 0.00 4.39 1.01 -1.26 -5.06 116.67 119.57 2jqz s ASP 28 Ca 0.00 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.13 2jqz s ASP 28 Cb 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.72 2jqz s ASP 28 CO 0.00 -0.28 0.10 0.49 0.21 0.00 0.00 175.17 175.68 2jqz n PHE 29 N -1.11 0.00 0.01 4.23 3.01 -1.26 -4.17 117.46 118.16 2jqz n PHE 29 Ca -0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 2jqz n PHE 29 Cb 0.54 -0.29 0.49 0.00 -0.01 0.00 0.00 39.48 40.21 2jqz n PHE 29 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2jqz h PHE 30 N 0.00 0.40 -0.96 1.38 3.57 -1.97 -3.42 116.94 115.93 2jqz h PHE 30 Ca 0.00 0.01 -0.49 0.00 3.53 0.00 0.00 57.97 61.02 2jqz h PHE 30 Cb 0.00 -0.13 0.04 0.00 2.79 0.00 0.00 35.95 38.65 2jqz h PHE 30 CO 0.02 0.23 -0.04 1.03 -2.23 0.00 0.00 178.31 177.31 2jqz s ARG 31 N -5.38 2.10 0.19 1.11 0.52 -1.26 -5.15 118.95 111.08 2jqz s ARG 31 Ca -0.07 -1.60 -0.02 0.00 -0.52 0.00 0.00 55.73 53.51 2jqz s ARG 31 Cb 0.18 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 2jqz s ARG 31 CO 0.73 -1.06 0.15 -1.17 0.02 0.00 0.00 175.30 173.97 2jqz s LEU 32 N -4.80 1.18 0.32 2.53 2.96 -1.26 -4.29 118.68 115.31 2jqz s LEU 32 Ca 0.64 -1.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.27 2jqz s LEU 32 Cb -0.05 0.52 -0.03 0.00 0.50 0.00 0.00 46.19 47.13 2jqz s LEU 32 CO 0.41 -0.85 0.50 -2.16 -1.32 0.00 0.00 176.35 172.93 2jqz s PRO 33 N -4.12 3.41 -0.58 0.98 0.04 -1.20 -4.76 135.00 128.77 2jqz s PRO 33 Ca 0.34 -0.53 0.04 0.00 0.04 0.00 0.00 61.00 60.90 2jqz s PRO 33 Cb 0.06 -2.73 0.15 0.00 0.04 0.00 0.00 34.50 32.02 2jqz s PRO 33 CO 0.10 0.19 0.37 -0.51 0.04 0.00 0.00 177.00 177.19 2jqz s ASP 34 N -4.05 4.15 0.44 6.66 1.11 -1.26 -2.42 116.67 121.31 2jqz s ASP 34 Ca 0.39 -3.34 -0.25 0.00 0.18 0.00 0.00 52.55 49.54 2jqz s ASP 34 Cb -0.09 -1.42 -0.08 0.00 1.07 0.00 0.00 42.92 42.40 2jqz s ASP 34 CO 0.34 -0.16 1.31 -2.16 1.18 0.00 0.00 175.17 175.67 2jqz s PRO 35 N -0.68 3.76 0.30 8.23 0.04 -1.17 -1.42 135.00 144.06 2jqz s PRO 35 Ca 0.22 2.15 -0.10 0.00 0.04 0.00 0.00 61.00 63.32 2jqz s PRO 35 Cb -0.13 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.81 2jqz s PRO 35 CO -0.09 -0.66 0.53 -0.59 0.04 0.00 0.00 177.00 176.22 2jqz s PHE 36 N -1.30 0.57 0.17 0.56 -0.71 -0.66 0.01 117.98 116.62 2jqz s PHE 36 Ca 0.61 -0.93 0.08 0.00 -1.04 0.00 0.00 56.93 55.64 2jqz s PHE 36 Cb -0.38 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 2jqz s PHE 36 CO 0.48 -1.14 -0.16 0.00 -1.34 0.00 0.00 175.22 173.05 2jqz s ALA 37 N -3.39 1.93 -0.03 1.99 0.00 -1.14 -1.69 121.76 119.43 2jqz s ALA 37 Ca 0.24 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 2jqz s ALA 37 Cb -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.00 2jqz s ALA 37 CO 0.13 0.15 0.04 0.15 0.00 0.00 0.00 175.76 176.23 2jqz s LYS 38 N -3.08 -0.02 -0.14 0.00 1.02 0.69 -0.14 119.74 118.06 2jqz s LYS 38 Ca 0.17 0.23 -0.15 0.00 0.02 0.00 0.00 55.97 56.25 2jqz s LYS 38 Cb -0.04 -0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 36.88 2jqz s LYS 38 CO 0.06 -0.21 0.33 0.08 -0.92 0.00 0.00 175.35 174.69 2jqz s VAL 39 N 1.39 5.27 -0.06 3.17 1.01 0.79 -0.69 120.40 131.28 2jqz s VAL 39 Ca -0.05 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 2jqz s VAL 39 Cb -0.13 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2jqz s VAL 39 CO -0.03 0.39 0.02 0.68 0.00 0.00 0.00 175.10 176.16 2jqz s VAL 40 N 0.36 0.22 -0.78 2.92 -7.23 -0.96 -2.07 120.40 112.87 2jqz s VAL 40 Ca 0.19 0.20 -0.23 0.00 -1.81 0.00 0.00 61.98 60.33 2jqz s VAL 40 Cb -0.14 -0.40 0.07 0.00 0.56 0.00 0.00 36.38 36.48 2jqz s VAL 40 CO 0.06 0.22 1.13 -0.69 -0.31 0.00 0.00 175.10 175.51 2jqz s VAL 41 N 1.89 4.22 -0.52 1.32 1.01 -1.17 -0.59 120.40 126.56 2jqz s VAL 41 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 2jqz s VAL 41 Cb -0.12 -4.80 -0.15 0.00 0.00 0.00 0.00 36.38 31.30 2jqz s VAL 41 CO -0.04 -1.62 1.21 -0.67 0.00 0.00 0.00 175.10 173.98 2jqz n ASP 42 N 8.00 -0.46 0.00 3.32 2.03 -0.62 0.15 116.55 128.98 2jqz n ASP 42 Ca 0.08 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2jqz n ASP 42 Cb 0.48 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 2jqz n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqz n GLY 43 N 3.02 -0.68 7.00 0.27 0.00 -1.26 -4.43 105.19 109.10 2jqz n GLY 43 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2jqz n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jqz n SER 44 N 0.00 -5.15 0.00 1.61 7.64 0.12 -4.91 113.62 112.94 2jqz n SER 44 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jqz n SER 44 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jqz n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jqz n GLY 45 N 0.00 2.71 3.11 0.23 0.00 -1.26 -4.74 105.19 105.23 2jqz n GLY 45 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 2.46 0.06 1.61 -0.21 -1.26 -5.09 119.66 117.23 2jqz s GLN 46 Ca 0.00 -1.21 0.07 0.00 0.02 0.00 0.00 55.36 54.25 2jqz s GLN 46 Cb 0.00 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 2jqz s GLN 46 CO 0.00 -0.49 -0.20 0.00 -2.12 0.00 0.00 175.29 172.47 2jqz s HIS 48 N -0.92 0.51 -0.14 0.00 3.76 -0.88 -4.93 115.29 112.69 2jqz s HIS 48 Ca 0.07 -0.84 -0.23 0.00 -0.15 0.00 0.00 55.06 53.90 2jqz s HIS 48 Cb -0.09 0.02 0.06 0.00 1.11 0.00 0.00 32.58 33.68 2jqz s HIS 48 CO 0.02 -0.89 0.58 -1.54 -0.85 0.00 0.00 174.74 172.07 2jqz s SER 49 N -3.04 -0.57 0.09 1.40 1.04 -1.26 -0.15 113.70 111.21 2jqz s SER 49 Ca 0.25 0.90 0.02 0.00 0.48 0.00 0.00 55.95 57.61 2jqz s SER 49 Cb 0.01 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 2jqz s SER 49 CO 0.08 -0.36 0.13 0.42 0.98 0.00 0.00 173.24 174.50 2jqz s THR 50 N -0.36 4.81 1.00 2.02 -4.23 0.80 -4.93 115.64 114.75 2jqz s THR 50 Ca -0.05 -0.70 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 2jqz s THR 50 Cb -0.03 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2jqz s THR 50 CO 0.04 0.09 -0.03 -0.67 -0.54 0.00 0.00 174.62 173.51 2jqz n ASP 51 N 0.26 -2.90 -4.89 3.99 2.03 -1.26 -2.88 116.55 110.90 2jqz n ASP 51 Ca -0.07 0.18 -0.32 0.00 0.52 0.00 0.00 54.79 55.09 2jqz n ASP 51 Cb 0.52 -1.03 -0.05 0.00 -0.72 0.00 0.00 41.12 39.85 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jqz s THR 52 N -2.27 5.18 -0.32 5.18 2.01 -1.26 -4.28 115.64 119.88 2jqz s THR 52 Ca 0.52 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 2jqz s THR 52 Cb -0.16 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.78 2jqz s THR 52 CO 0.70 0.11 0.05 -0.69 -0.69 0.00 0.00 174.62 174.10 2jqz s VAL 53 N -1.58 3.28 0.27 3.82 1.01 0.10 -4.97 120.40 122.32 2jqz s VAL 53 Ca 0.38 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2jqz s VAL 53 Cb -0.12 -2.91 -0.11 0.00 0.00 0.00 0.00 36.38 33.23 2jqz s VAL 53 CO 0.23 -0.19 1.58 -0.54 0.00 0.00 0.00 175.10 176.18 2jqz s LYS 54 N 1.29 4.15 0.00 2.72 3.01 -1.26 -3.06 119.74 126.59 2jqz s LYS 54 Ca -0.03 2.52 0.00 0.00 -1.01 0.00 0.00 55.97 57.45 2jqz s LYS 54 Cb -0.20 -3.05 0.00 0.00 -1.01 0.00 0.00 37.83 33.57 2jqz s LYS 54 CO -0.00 -0.60 0.00 0.27 0.51 0.00 0.00 175.35 175.53 2jqz n ASN 55 N 2.45 -0.06 -3.76 2.83 0.23 -1.02 -4.95 115.26 110.98 2jqz n ASN 55 Ca 0.09 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.01 2jqz n ASN 55 Cb 0.38 -0.01 -0.09 0.00 -2.08 0.00 0.00 39.78 37.97 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2jqz s THR 56 N -0.01 0.05 -1.06 5.53 -1.32 -1.12 -4.97 115.64 112.74 2jqz s THR 56 Ca 0.00 -0.38 0.12 0.00 -1.21 0.00 0.00 61.69 60.22 2jqz s THR 56 Cb 0.00 -0.59 0.33 0.00 -1.51 0.00 0.00 72.50 70.73 2jqz s THR 56 CO 0.00 -0.21 1.26 0.18 -2.21 0.00 0.00 174.62 173.65 2jqz n LEU 57 N 1.59 2.98 -2.86 9.08 4.77 -1.26 -4.70 117.00 126.60 2jqz n LEU 57 Ca -0.20 -1.95 -0.03 0.00 -0.03 0.00 0.00 56.01 53.81 2jqz n LEU 57 Cb 0.56 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 2jqz n LEU 57 CO 0.21 0.74 0.17 -0.62 -1.33 0.00 0.00 177.39 176.55 2jqz s ASP 58 N -1.00 -1.30 0.87 -1.43 -1.08 -1.26 -0.89 116.67 110.58 2jqz s ASP 58 Ca 0.25 -1.30 -0.07 0.00 -0.52 0.00 0.00 52.55 50.91 2jqz s ASP 58 Cb 0.13 1.69 0.13 0.00 -1.46 0.00 0.00 42.92 43.41 2jqz s ASP 58 CO 0.17 -0.07 0.77 -0.81 0.52 0.00 0.00 175.17 175.76 2jqz n PRO 59 N 3.28 -0.50 -3.60 4.34 -0.04 -1.22 -4.90 135.00 132.37 2jqz n PRO 59 Ca 0.15 -1.45 -0.10 0.00 -0.04 0.00 0.00 63.50 62.06 2jqz n PRO 59 Cb 0.58 -0.72 -0.06 0.00 -0.04 0.00 0.00 33.50 33.26 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 -4.60 0.58 0.00 0.54 0.00 -1.26 -2.00 119.74 113.00 2jqz s LYS 60 Ca 0.46 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.74 2jqz s LYS 60 Cb -0.02 0.27 0.00 0.00 0.00 0.00 0.00 37.83 38.09 2jqz s LYS 60 CO 0.32 -0.15 0.00 0.91 0.00 0.00 0.00 175.35 176.43 2jqz n TRP 61 N 1.27 0.00 -3.62 1.78 8.01 -1.16 -4.99 117.44 118.73 2jqz n TRP 61 Ca -0.11 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.82 2jqz n TRP 61 Cb 0.57 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.85 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 -0.87 -2.89 -4.47 -0.99 6.94 0.14 -4.92 115.26 108.19 2jqz n ASN 62 Ca 0.00 -0.54 -0.32 0.00 -0.02 0.00 0.00 54.58 53.70 2jqz n ASN 62 Cb 0.13 -2.43 -0.13 0.00 -2.36 0.00 0.00 39.78 34.99 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 -6.27 2.34 0.04 -3.83 -0.21 -1.00 -4.90 119.66 105.83 2jqz s GLN 63 Ca 0.49 -0.81 0.06 0.00 0.02 0.00 0.00 55.36 55.12 2jqz s GLN 63 Cb -0.27 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.42 2jqz s GLN 63 CO 0.60 0.59 -0.18 -3.38 -2.12 0.00 0.00 175.29 170.80 2jqz s HIS 64 N -0.80 1.57 -0.03 0.91 -3.43 -1.26 -0.13 115.29 112.11 2jqz s HIS 64 Ca 0.13 -0.36 0.06 0.00 -0.80 0.00 0.00 55.06 54.09 2jqz s HIS 64 Cb -0.11 -0.94 -0.01 0.00 -1.43 0.00 0.00 32.58 30.09 2jqz s HIS 64 CO 0.02 0.07 -0.22 0.71 -2.00 0.00 0.00 174.74 173.32 2jqz s TYR 65 N -0.80 2.09 -0.27 0.38 2.02 -0.97 -4.94 117.35 114.87 2jqz s TYR 65 Ca 0.05 -0.50 -0.16 0.00 -0.37 0.00 0.00 57.07 56.09 2jqz s TYR 65 Cb -0.08 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 2jqz s TYR 65 CO 0.01 -0.11 0.43 -0.51 -1.57 0.00 0.00 175.55 173.81 2jqz s ASP 66 N -0.34 6.33 -0.02 2.29 1.01 -1.26 -2.48 116.67 122.20 2jqz s ASP 66 Ca 0.03 0.38 0.04 0.00 0.71 0.00 0.00 52.55 53.71 2jqz s ASP 66 Cb -0.11 -2.24 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 2jqz s ASP 66 CO 0.01 -0.23 -0.13 -0.76 0.21 0.00 0.00 175.17 174.27 2jqz s LEU 67 N 2.18 1.93 0.37 1.23 1.43 -0.15 -4.93 118.68 120.74 2jqz s LEU 67 Ca 0.18 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 2jqz s LEU 67 Cb -0.16 -0.69 -0.10 0.00 0.03 0.00 0.00 46.19 45.27 2jqz s LEU 67 CO 0.10 0.13 0.96 -0.31 0.23 0.00 0.00 176.35 177.45 2jqz s TYR 68 N -0.10 3.52 -0.19 0.29 2.02 -1.26 -1.91 117.35 119.72 2jqz s TYR 68 Ca 0.01 1.71 0.01 0.00 -0.37 0.00 0.00 57.07 58.43 2jqz s TYR 68 Cb -0.07 -2.92 0.03 0.00 -0.40 0.00 0.00 41.96 38.60 2jqz s TYR 68 CO 0.00 0.02 -0.18 0.42 -1.57 0.00 0.00 175.55 174.24 2jqz s ILE 69 N -1.82 2.10 0.00 2.71 -1.09 -0.65 -4.89 121.20 117.56 2jqz s ILE 69 Ca 0.55 -1.04 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 2jqz s ILE 69 Cb -0.15 -1.94 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 2jqz s ILE 69 CO 0.20 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.97 2jqz n GLY 70 N 4.59 -2.37 0.29 6.18 0.00 -1.26 -2.35 105.19 110.27 2jqz n GLY 70 Ca -0.20 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.09 -1.41 1.61 1.63 -2.00 -3.26 116.57 113.05 2jqz h LYS 71 Ca 0.00 0.01 -0.41 0.00 -0.85 0.00 0.00 60.65 59.40 2jqz h LYS 71 Cb 0.00 0.02 -0.37 0.00 -0.60 0.00 0.00 32.23 31.28 2jqz h LYS 71 CO 0.00 -0.06 -1.11 -1.13 -3.45 0.00 0.00 179.45 173.70 2jqz n SER 72 N -5.43 0.73 -4.97 4.20 3.41 -1.26 -5.09 113.62 105.21 2jqz n SER 72 Ca 0.06 -2.92 -0.21 0.00 -0.26 0.00 0.00 58.87 55.54 2jqz n SER 72 Cb 0.34 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 2jqz n SER 72 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jqz s ASP 73 N -2.56 6.17 0.30 4.04 1.11 -1.23 -4.83 116.67 119.67 2jqz s ASP 73 Ca 0.33 0.03 0.03 0.00 0.18 0.00 0.00 52.55 53.11 2jqz s ASP 73 Cb 0.39 -1.64 -0.04 0.00 1.07 0.00 0.00 42.92 42.70 2jqz s ASP 73 CO -0.03 -0.25 0.12 -0.94 1.18 0.00 0.00 175.17 175.25 2jqz s SER 74 N -4.07 1.66 -0.09 0.27 1.04 -1.26 -3.08 113.70 108.18 2jqz s SER 74 Ca 0.39 -1.49 -0.19 0.00 0.48 0.00 0.00 55.95 55.14 2jqz s SER 74 Cb -0.09 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.34 2jqz s SER 74 CO 0.31 -0.81 0.45 0.54 0.98 0.00 0.00 173.24 174.71 2jqz s VAL 75 N -3.58 0.02 -0.12 5.02 0.11 -1.03 -1.59 120.40 119.23 2jqz s VAL 75 Ca 0.35 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2jqz s VAL 75 Cb 0.06 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2jqz s VAL 75 CO 0.16 -0.10 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.84 2jqz s THR 76 N -0.67 1.12 -0.38 5.04 2.01 0.24 -2.44 115.64 120.56 2jqz s THR 76 Ca -0.08 -0.35 -0.21 0.00 0.31 0.00 0.00 61.69 61.36 2jqz s THR 76 Cb -0.03 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2jqz s THR 76 CO 0.04 0.38 0.68 -0.63 -0.69 0.00 0.00 174.62 174.41 2jqz s ILE 77 N 1.66 4.82 -0.11 1.82 1.01 0.42 -2.25 121.20 128.57 2jqz s ILE 77 Ca 0.05 0.57 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 2jqz s ILE 77 Cb -0.13 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 2jqz s ILE 77 CO -0.09 -0.42 -0.08 -0.94 0.00 0.00 0.00 174.94 173.42 2jqz s SER 78 N 1.87 4.52 -0.12 3.58 1.04 0.14 -0.28 113.70 124.44 2jqz s SER 78 Ca 0.26 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 2jqz s SER 78 Cb -0.14 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 2jqz s SER 78 CO 0.17 0.24 0.19 -0.69 0.98 0.00 0.00 173.24 174.13 2jqz s VAL 79 N -0.08 5.40 0.07 5.02 1.01 0.28 -0.23 120.40 131.87 2jqz s VAL 79 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2jqz s VAL 79 Cb -0.13 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2jqz s VAL 79 CO 0.03 0.56 -0.15 0.26 0.00 0.00 0.00 175.10 175.80 2jqz s TRP 80 N -0.63 1.26 -0.71 5.22 0.52 -0.68 -2.25 118.94 121.66 2jqz s TRP 80 Ca 0.15 -0.46 -0.20 0.00 0.02 0.00 0.00 56.10 55.61 2jqz s TRP 80 Cb -0.13 -0.70 0.10 0.00 -1.15 0.00 0.00 33.47 31.59 2jqz s TRP 80 CO 0.04 0.07 0.91 -0.80 0.02 0.00 0.00 176.95 177.19 2jqz s ASN 81 N -1.75 6.31 0.32 2.95 0.02 0.11 -1.66 114.94 121.24 2jqz s ASN 81 Ca -0.01 -1.47 0.06 0.00 -1.02 0.00 0.00 52.86 50.42 2jqz s ASN 81 Cb -0.10 -2.37 0.87 0.00 0.02 0.00 0.00 41.25 39.68 2jqz s ASN 81 CO 0.02 -1.21 1.60 -0.74 0.02 0.00 0.00 177.10 176.80 2jqz h HIS 82 N 9.19 0.29 -0.08 2.20 -0.00 -1.50 0.20 115.15 125.44 2jqz h HIS 82 Ca -0.16 0.06 0.04 0.00 -0.00 0.00 0.00 60.37 60.30 2jqz h HIS 82 Cb 1.06 0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.46 2jqz h HIS 82 CO 0.98 -0.36 -0.21 0.87 -0.00 0.00 0.00 177.93 179.21 2jqz h LYS 83 N 0.08 -0.28 0.00 5.26 1.79 -1.92 -2.74 116.57 118.77 2jqz h LYS 83 Ca 0.64 0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 59.02 2jqz h LYS 83 Cb 1.41 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.11 2jqz h LYS 83 CO -0.80 -0.18 -0.52 -0.22 -1.08 0.00 0.00 179.45 176.65 2jqz h LYS 84 N -0.29 0.00 -0.24 3.15 1.63 -1.18 -2.20 116.57 117.44 2jqz h LYS 84 Ca 0.08 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.95 2jqz h LYS 84 Cb 0.41 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2jqz h LYS 84 CO -0.24 0.52 0.19 -0.84 -3.45 0.00 0.00 179.45 175.62 2jqz h ILE 85 N 0.00 0.80 0.00 2.00 3.07 -0.45 0.63 117.51 123.56 2jqz h ILE 85 Ca -0.01 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 66.22 2jqz h ILE 85 Cb 1.38 0.87 -0.03 0.00 -0.27 0.00 0.00 36.82 38.77 2jqz h ILE 85 CO 0.07 0.00 -1.29 -0.74 -1.05 0.00 0.00 178.15 175.14 2jqz h HIS 86 N 0.00 0.00 -0.05 0.16 2.76 -1.40 -3.38 115.15 113.24 2jqz h HIS 86 Ca 0.12 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2jqz h HIS 86 Cb 0.49 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.39 2jqz h HIS 86 CO 0.00 0.70 -0.48 -0.22 -1.30 0.00 0.00 177.93 176.62 2jqz h LYS 87 N 0.00 -0.55 0.00 5.26 1.63 0.90 -3.47 116.57 120.34 2jqz h LYS 87 Ca -0.15 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2jqz h LYS 87 Cb 1.66 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 2jqz h LYS 87 CO 0.06 -0.37 0.00 1.63 -3.45 0.00 0.00 179.45 177.33 2jqz n LYS 88 N -5.13 0.00 0.00 1.90 4.76 -0.91 -5.03 118.16 113.76 2jqz n LYS 88 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2jqz n LYS 88 Cb 0.35 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 2jqz n LYS 88 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2jqz n GLN 89 N 0.00 0.00 0.30 1.97 -0.06 -1.26 -3.46 117.38 114.87 2jqz n GLN 89 Ca 0.00 0.00 0.19 0.00 -2.00 0.00 0.00 57.00 55.19 2jqz n GLN 89 Cb 0.00 -0.71 1.02 0.00 -4.06 0.00 0.00 30.24 26.50 2jqz n GLN 89 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 2jqz h GLY 90 N 0.00 0.00 -4.89 1.69 0.00 -1.95 -3.41 103.07 94.50 2jqz h GLY 90 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2jqz h GLY 90 CO 0.00 0.00 0.97 0.00 0.00 0.00 0.00 176.54 177.51 2jqz s ALA 91 N -4.38 3.68 0.00 3.60 0.00 -1.22 -3.89 121.76 119.54 2jqz s ALA 91 Ca -0.05 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2jqz s ALA 91 Cb 0.14 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2jqz s ALA 91 CO 0.47 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2jqz n GLY 92 N 3.93 -0.53 3.89 0.00 0.00 -1.20 -3.03 105.19 108.25 2jqz n GLY 92 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.45 3.60 0.21 1.61 5.36 -1.25 0.06 117.98 127.11 2jqz s PHE 93 Ca 0.00 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 2jqz s PHE 93 Cb 0.00 -2.54 0.00 0.00 -0.34 0.00 0.00 43.02 40.14 2jqz s PHE 93 CO 0.00 -0.52 0.00 1.28 -1.46 0.00 0.00 175.22 174.52 2jqz n LEU 94 N -2.54 -0.74 0.00 6.12 4.77 -1.05 -4.12 117.00 119.44 2jqz n LEU 94 Ca 0.04 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2jqz n LEU 94 Cb 0.55 0.85 0.00 0.00 -2.33 0.00 0.00 43.42 42.48 2jqz n LEU 94 CO 0.56 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 2jqz n GLY 95 N 0.77 0.11 3.59 -0.72 0.00 -0.95 -4.36 105.19 103.63 2jqz n GLY 95 Ca 0.00 0.73 -0.37 0.00 0.00 0.00 0.00 46.02 46.38 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 1.25 4.64 -0.07 0.00 0.11 0.61 -4.71 120.40 122.22 2jqz s VAL 97 Ca 0.06 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.09 2jqz s VAL 97 Cb -0.14 -3.14 -0.00 0.00 -1.53 0.00 0.00 36.38 31.56 2jqz s VAL 97 CO 0.05 0.37 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.85 2jqz s ARG 98 N 1.13 2.46 -0.05 1.54 3.00 -1.26 -0.43 118.95 125.33 2jqz s ARG 98 Ca 0.05 -0.78 0.04 0.00 0.00 0.00 0.00 55.73 55.04 2jqz s ARG 98 Cb -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 34.95 32.81 2jqz s ARG 98 CO 0.04 0.25 -0.16 -0.51 0.00 0.00 0.00 175.30 174.91 2jqz s LEU 99 N 0.14 1.87 0.00 2.53 2.01 -1.02 -5.02 118.68 119.18 2jqz s LEU 99 Ca -0.10 -0.35 -0.02 0.00 0.01 0.00 0.00 54.13 53.67 2jqz s LEU 99 Cb -0.15 -0.96 0.05 0.00 0.01 0.00 0.00 46.19 45.14 2jqz s LEU 99 CO 0.05 0.12 0.32 0.18 1.01 0.00 0.00 176.35 178.04 2jqz n LEU 100 N 3.32 0.00 -0.10 1.79 4.77 -1.26 -2.47 117.00 123.04 2jqz n LEU 100 Ca -0.19 -0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 55.18 2jqz n LEU 100 Cb 0.53 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2jqz n LEU 100 CO 0.25 -0.69 0.91 -1.28 -1.33 0.00 0.00 177.39 175.25 2jqz h SER 101 N -0.31 0.43 -0.15 -1.43 0.87 -1.86 0.27 113.55 111.35 2jqz h SER 101 Ca -0.11 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.28 2jqz h SER 101 Cb 0.34 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2jqz h SER 101 CO 0.09 0.46 -0.00 0.78 -0.53 0.00 0.00 176.83 177.63 2jqz h ASN 102 N 0.37 0.27 -0.72 6.23 2.35 -1.94 -2.56 115.58 119.58 2jqz h ASN 102 Ca 0.11 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 2jqz h ASN 102 Cb 0.15 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 2jqz h ASN 102 CO -0.01 0.52 0.35 0.00 -1.65 0.00 0.00 177.43 176.64 2jqz h ALA 103 N 0.76 0.93 -0.86 -0.83 0.00 -1.91 -2.24 119.26 115.11 2jqz h ALA 103 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jqz h ALA 103 Cb 0.38 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2jqz h ALA 103 CO 0.01 0.48 0.56 0.82 0.00 0.00 0.00 179.25 181.13 2jqz h ILE 104 N 1.00 1.15 0.28 0.00 2.04 -0.36 0.26 117.51 121.89 2jqz h ILE 104 Ca 0.25 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2jqz h ILE 104 Cb 0.11 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2jqz h ILE 104 CO -0.03 0.20 -0.13 -1.13 0.00 0.00 0.00 178.15 177.05 2jqz h ASN 105 N 1.08 -0.32 -0.52 1.72 -0.73 -1.10 0.24 115.58 115.96 2jqz h ASN 105 Ca 0.34 -0.22 0.04 0.00 1.87 0.00 0.00 56.30 58.33 2jqz h ASN 105 Cb 0.00 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 38.63 2jqz h ASN 105 CO -0.10 0.13 0.28 0.03 -0.37 0.00 0.00 177.43 177.41 2jqz h ARG 106 N -0.87 0.53 -0.35 6.67 3.08 -1.22 -1.94 114.38 120.28 2jqz h ARG 106 Ca -0.04 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2jqz h ARG 106 Cb 0.51 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2jqz h ARG 106 CO 0.06 0.35 -0.24 -0.07 -1.07 0.00 0.00 179.97 179.01 2jqz h LEU 107 N 0.55 0.71 -1.61 3.04 3.38 -0.55 -2.61 115.31 118.22 2jqz h LEU 107 Ca 0.22 -0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.10 2jqz h LEU 107 Cb 0.09 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2jqz h LEU 107 CO -0.13 0.93 0.52 0.07 0.09 0.00 0.00 178.44 179.92 2jqz h LYS 108 N 0.61 0.35 0.00 1.13 5.09 0.30 0.94 116.57 125.00 2jqz h LYS 108 Ca 0.08 -0.02 -0.22 0.00 0.09 0.00 0.00 60.65 60.58 2jqz h LYS 108 Cb 0.73 -0.08 -0.04 0.00 0.10 0.00 0.00 32.23 32.94 2jqz h LYS 108 CO 0.06 0.23 -1.32 0.22 -2.09 0.00 0.00 179.45 176.56 2jqz h ASP 109 N 0.36 0.00 0.35 7.07 3.58 -1.33 -3.07 116.42 123.38 2jqz h ASP 109 Ca 0.39 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 2jqz h ASP 109 Cb 0.98 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 2jqz h ASP 109 CO -0.12 0.85 -0.40 0.71 -2.88 0.00 0.00 179.24 177.40 2jqz h THR 110 N 0.00 0.00 0.00 2.25 1.35 -0.44 -3.47 112.91 112.59 2jqz h THR 110 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2jqz h THR 110 Cb 1.78 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 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 -1.43 0.94 3.17 5.82 0.00 -0.98 -4.97 105.19 107.74 2jqz n GLY 111 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 -0.12 -0.10 1.61 2.02 -1.26 -4.28 117.35 113.22 2jqz s TYR 112 Ca 0.00 0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.86 2jqz s TYR 112 Cb 0.00 0.06 0.03 0.00 -0.40 0.00 0.00 41.96 41.64 2jqz s TYR 112 CO 0.00 -0.07 -0.05 -0.65 -1.57 0.00 0.00 175.55 173.21 2jqz s GLN 113 N 2.57 1.26 -0.62 -0.62 -1.52 0.30 -4.88 119.66 116.15 2jqz s GLN 113 Ca -0.05 -0.15 -0.19 0.00 -1.95 0.00 0.00 55.36 53.03 2jqz s GLN 113 Cb -0.05 -1.41 0.11 0.00 -0.22 0.00 0.00 33.01 31.44 2jqz s GLN 113 CO -0.11 -0.28 0.73 1.03 -0.25 0.00 0.00 175.29 176.41 2jqz s ARG 114 N 1.78 3.10 -0.07 2.91 0.52 -1.26 -1.93 118.95 124.00 2jqz s ARG 114 Ca 0.05 -1.41 -0.07 0.00 -0.52 0.00 0.00 55.73 53.78 2jqz s ARG 114 Cb -0.12 -4.31 -0.04 0.00 0.52 0.00 0.00 34.95 30.99 2jqz s ARG 114 CO -0.07 -1.54 0.19 -0.51 0.02 0.00 0.00 175.30 173.38 2jqz s LEU 115 N 2.55 4.39 -0.19 2.53 2.01 -0.40 -4.93 118.68 124.64 2jqz s LEU 115 Ca 0.13 0.50 -0.26 0.00 0.01 0.00 0.00 54.13 54.51 2jqz s LEU 115 Cb -0.23 -2.30 -0.01 0.00 0.01 0.00 0.00 46.19 43.67 2jqz s LEU 115 CO 0.05 0.35 0.88 -1.81 1.01 0.00 0.00 176.35 176.83 2jqz s ASP 116 N -1.30 6.98 -0.32 2.29 1.11 -1.26 -0.62 116.67 123.55 2jqz s ASP 116 Ca 0.20 1.21 -0.29 0.00 0.18 0.00 0.00 52.55 53.85 2jqz s ASP 116 Cb -0.13 -2.47 0.02 0.00 1.07 0.00 0.00 42.92 41.41 2jqz s ASP 116 CO 0.09 -0.48 1.10 -0.76 1.18 0.00 0.00 175.17 176.30 2jqz s LEU 117 N 2.48 3.92 0.20 1.23 1.43 0.13 -4.90 118.68 123.17 2jqz s LEU 117 Ca 0.39 1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 54.51 2jqz s LEU 117 Cb -0.16 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2jqz s LEU 117 CO 0.11 -0.91 0.20 0.00 0.23 0.00 0.00 176.35 175.98 2jqz s LYS 119 N -4.11 2.38 0.44 0.00 0.00 -1.26 -4.07 119.74 113.13 2jqz s LYS 119 Ca 0.33 1.86 0.18 0.00 0.00 0.00 0.00 55.97 58.33 2jqz s LYS 119 Cb 0.05 -1.85 1.11 0.00 0.00 0.00 0.00 37.83 37.14 2jqz s LYS 119 CO 0.09 -1.67 1.90 -0.07 0.00 0.00 0.00 175.35 175.60 2jqz h LEU 120 N 0.13 0.35 0.00 2.77 -0.00 -1.97 -3.46 115.31 113.14 2jqz h LEU 120 Ca -0.49 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 57.51 2jqz h LEU 120 Cb 1.31 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 2jqz h LEU 120 CO 0.51 0.16 0.38 0.61 -0.00 0.00 0.00 178.44 180.11 2jqz n GLY 121 N -1.54 0.88 0.18 0.83 0.00 -1.26 -5.05 105.19 99.23 2jqz n GLY 121 Ca 0.16 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 2jqz n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jqz h PRO 122 N 0.00 0.58 -1.54 1.61 0.13 -2.01 -3.29 132.00 127.48 2jqz h PRO 122 Ca -0.20 -0.59 -0.71 0.00 -0.87 0.00 0.00 66.00 63.64 2jqz h PRO 122 Cb 0.85 0.16 -0.30 0.00 0.13 0.00 0.00 31.00 31.84 2jqz h PRO 122 CO 0.26 1.20 0.71 0.09 -0.23 0.00 0.00 178.00 180.03 2jqz n ASN 123 N -3.83 7.15 -3.14 1.44 5.03 -1.26 -4.40 115.26 116.26 2jqz n ASN 123 Ca -0.08 -3.81 -0.19 0.00 0.87 0.00 0.00 54.58 51.37 2jqz n ASN 123 Cb 0.83 -0.93 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 2jqz n ASN 123 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2jqz n ASP 124 N -0.67 1.41 -3.60 6.41 2.03 -1.24 -4.96 116.55 115.93 2jqz n ASP 124 Ca 0.55 -3.11 -0.22 0.00 0.52 0.00 0.00 54.79 52.53 2jqz n ASP 124 Cb 0.46 -0.61 0.04 0.00 -0.72 0.00 0.00 41.12 40.30 2jqz n ASP 124 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jqz n ASN 125 N 0.19 -3.12 -4.49 1.67 2.85 -1.26 -4.73 115.26 106.37 2jqz n ASN 125 Ca 0.26 -0.84 -0.46 0.00 -0.11 0.00 0.00 54.58 53.43 2jqz n ASN 125 Cb 0.62 -4.16 -0.07 0.00 1.24 0.00 0.00 39.78 37.42 2jqz n ASN 125 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2jqz n ASP 126 N -3.00 2.11 -2.74 1.20 5.75 -1.26 -4.69 116.55 113.91 2jqz n ASP 126 Ca -0.21 0.17 -0.01 0.00 -0.01 0.00 0.00 54.79 54.72 2jqz n ASP 126 Cb 0.65 -1.33 0.09 0.00 -1.03 0.00 0.00 41.12 39.50 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2jqz n THR 127 N 7.47 0.55 -3.85 2.12 -2.24 -1.26 -5.13 114.28 111.95 2jqz n THR 127 Ca 0.42 -1.86 -0.22 0.00 -2.27 0.00 0.00 64.05 60.11 2jqz n THR 127 Cb 0.30 1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.59 2.82 0.00 2.28 0.11 -1.26 -4.93 120.40 117.84 2jqz s VAL 128 Ca 0.17 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 2jqz s VAL 128 Cb 0.39 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 2jqz s VAL 128 CO -0.09 -0.07 0.00 -1.14 -3.33 0.00 0.00 175.10 170.47 2jqz n ARG 129 N -1.36 0.00 -3.80 1.54 0.63 -1.26 -4.94 116.66 107.47 2jqz n ARG 129 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 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 0.20 -2.51 0.00 0.00 177.63 175.32 2jqz s GLY 130 N 0.00 -0.17 0.29 5.14 0.00 -0.90 -2.41 107.32 109.27 2jqz s GLY 130 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.92 2jqz s GLY 130 CO 0.00 1.88 0.24 1.20 0.00 0.00 0.00 173.10 176.43 2jqz s GLN 131 N -2.44 1.60 -0.25 2.90 1.11 0.14 0.18 119.66 122.90 2jqz s GLN 131 Ca 0.19 -1.89 -0.25 0.00 0.01 0.00 0.00 55.36 53.41 2jqz s GLN 131 Cb 0.00 0.32 0.07 0.00 -1.01 0.00 0.00 33.01 32.39 2jqz s GLN 131 CO 0.01 -0.58 0.72 -1.50 0.01 0.00 0.00 175.29 173.95 2jqz s ILE 132 N -3.64 0.00 -0.24 1.08 2.07 0.21 -0.82 121.20 119.86 2jqz s ILE 132 Ca 0.40 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.61 2jqz s ILE 132 Cb 0.04 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.63 2jqz s ILE 132 CO 0.23 0.00 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.53 2jqz s VAL 133 N 0.26 3.22 0.38 4.00 1.01 0.72 -1.27 120.40 128.72 2jqz s VAL 133 Ca -0.01 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2jqz s VAL 133 Cb -0.05 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2jqz s VAL 133 CO 0.02 0.28 0.07 1.33 0.00 0.00 0.00 175.10 176.80 2jqz n VAL 134 N 4.75 0.00 -3.72 2.92 0.24 -0.81 -1.96 118.33 119.75 2jqz n VAL 134 Ca -0.17 -2.00 -0.15 0.00 -2.04 0.00 0.00 64.34 59.97 2jqz n VAL 134 Cb 0.49 0.57 -0.15 0.00 -1.47 0.00 0.00 33.84 33.28 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 -3.21 0.31 -0.36 -1.34 1.04 -0.10 -0.54 113.70 109.49 2jqz s SER 135 Ca 0.09 0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 2jqz s SER 135 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.26 2jqz s SER 135 CO 0.07 -0.18 0.23 -0.76 0.98 0.00 0.00 173.24 173.57 2jqz s LEU 136 N 1.58 4.66 -0.04 2.42 2.01 -1.26 -1.11 118.68 126.94 2jqz s LEU 136 Ca -0.04 -0.73 -0.07 0.00 0.01 0.00 0.00 54.13 53.30 2jqz s LEU 136 Cb -0.12 -2.09 0.01 0.00 0.01 0.00 0.00 46.19 44.01 2jqz s LEU 136 CO -0.05 -0.33 0.16 -1.10 1.01 0.00 0.00 176.35 176.04 2jqz s GLN 137 N 1.64 0.31 -0.14 1.70 -0.21 -1.01 -2.33 119.66 119.64 2jqz s GLN 137 Ca 0.04 0.01 -0.25 0.00 0.02 0.00 0.00 55.36 55.18 2jqz s GLN 137 Cb -0.18 0.14 -0.02 0.00 1.00 0.00 0.00 33.01 33.95 2jqz s GLN 137 CO 0.08 -0.06 0.82 -1.54 -2.12 0.00 0.00 175.29 172.48 2jqz s SER 138 N -0.45 7.00 0.44 5.90 1.04 -1.25 -0.97 113.70 125.42 2jqz s SER 138 Ca -0.05 1.23 -0.21 0.00 0.48 0.00 0.00 55.95 57.39 2jqz s SER 138 Cb -0.04 -2.46 -0.10 0.00 0.10 0.00 0.00 66.02 63.53 2jqz s SER 138 CO 0.01 -0.34 0.99 -0.13 0.98 0.00 0.00 173.24 174.75 2jqz s ARG 139 N 1.81 4.09 0.00 4.02 1.81 -0.43 -4.88 118.95 125.38 2jqz s ARG 139 Ca 0.39 1.26 0.00 0.00 -1.72 0.00 0.00 55.73 55.66 2jqz s ARG 139 Cb -0.17 -2.22 0.00 0.00 -0.45 0.00 0.00 34.95 32.11 2jqz s ARG 139 CO 0.15 -0.17 0.02 -3.47 -0.68 0.00 0.00 175.30 171.15