#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 1.60 0.04 1.61 0.02 -1.26 -4.92 135.00 132.09 2jqz s PRO 11 Ca 0.00 0.93 0.01 0.00 0.02 0.00 0.00 61.00 61.96 2jqz s PRO 11 Cb 0.00 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 2jqz s PRO 11 CO 0.00 -2.03 0.08 0.14 -0.33 0.00 0.00 177.00 174.85 2jqz s VAL 12 N -2.93 4.61 -0.20 3.83 -7.23 -0.30 -4.77 120.40 113.41 2jqz s VAL 12 Ca 0.63 -0.59 -0.20 0.00 -1.81 0.00 0.00 61.98 60.00 2jqz s VAL 12 Cb -0.18 -3.16 -0.03 0.00 0.56 0.00 0.00 36.38 33.58 2jqz s VAL 12 CO 0.57 0.24 0.62 -0.75 -0.31 0.00 0.00 175.10 175.46 2jqz s LYS 13 N -2.04 4.21 -0.09 4.82 2.20 -1.26 -0.24 119.74 127.34 2jqz s LYS 13 Ca 0.26 0.59 0.03 0.00 -0.36 0.00 0.00 55.97 56.49 2jqz s LYS 13 Cb -0.12 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2jqz s LYS 13 CO 0.18 -0.22 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.60 2jqz s LEU 14 N 1.86 1.83 -0.33 5.43 1.98 -0.26 -3.00 118.68 126.20 2jqz s LEU 14 Ca 0.28 -0.43 -0.07 0.00 -2.89 0.00 0.00 54.13 51.02 2jqz s LEU 14 Cb -0.16 -1.11 0.02 0.00 0.66 0.00 0.00 46.19 45.60 2jqz s LEU 14 CO 0.10 0.07 0.11 -0.60 -1.89 0.00 0.00 176.35 174.15 2jqz s ARG 15 N 0.64 2.87 -0.39 1.98 3.52 -0.86 -1.36 118.95 125.34 2jqz s ARG 15 Ca -0.14 -1.02 -0.14 0.00 -0.13 0.00 0.00 55.73 54.30 2jqz s ARG 15 Cb -0.16 -3.47 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 2jqz s ARG 15 CO 0.04 -0.57 0.28 -1.17 -0.81 0.00 0.00 175.30 173.07 2jqz s LEU 16 N 1.47 4.96 -0.46 -0.88 0.20 -0.64 -2.16 118.68 121.17 2jqz s LEU 16 Ca 0.01 -0.78 -0.21 0.00 0.69 0.00 0.00 54.13 53.84 2jqz s LEU 16 Cb -0.18 -2.15 0.03 0.00 -0.43 0.00 0.00 46.19 43.45 2jqz s LEU 16 CO 0.03 -0.39 0.67 -0.89 -0.29 0.00 0.00 176.35 175.48 2jqz s THR 17 N 1.69 4.79 -0.96 3.68 2.01 0.35 -2.49 115.64 124.70 2jqz s THR 17 Ca 0.05 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 2jqz s THR 17 Cb -0.19 -4.26 0.07 0.00 0.01 0.00 0.00 72.50 68.13 2jqz s THR 17 CO 0.10 -0.69 1.34 -0.69 -0.69 0.00 0.00 174.62 174.00 2jqz s VAL 18 N 2.90 4.11 -0.03 3.82 1.01 0.18 -0.87 120.40 131.51 2jqz s VAL 18 Ca 0.22 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 2jqz s VAL 18 Cb -0.15 -4.97 -0.09 0.00 0.00 0.00 0.00 36.38 31.17 2jqz s VAL 18 CO 0.18 -1.81 0.68 0.25 0.00 0.00 0.00 175.10 174.40 2jqz h LEU 19 N 12.21 -0.50 -7.91 3.92 5.85 -1.72 -0.32 115.31 126.84 2jqz h LEU 19 Ca 0.13 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.95 2jqz h LEU 19 Cb 1.02 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 2jqz h LEU 19 CO 1.33 -0.07 0.34 0.00 -0.34 0.00 0.00 178.44 179.70 2jqz s ALA 21 N -3.28 1.86 0.22 0.00 0.00 -1.12 -0.49 121.76 118.95 2jqz s ALA 21 Ca 0.13 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.72 2jqz s ALA 21 Cb -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2jqz s ALA 21 CO 0.06 0.17 -0.15 0.15 0.00 0.00 0.00 175.76 176.00 2jqz s LYS 22 N -2.88 1.39 -1.15 0.00 -0.14 -0.01 -3.29 119.74 113.65 2jqz s LYS 22 Ca 0.15 -1.62 -0.29 0.00 -1.36 0.00 0.00 55.97 52.85 2jqz s LYS 22 Cb -0.05 -1.22 0.03 0.00 -1.68 0.00 0.00 37.83 34.91 2jqz s LYS 22 CO 0.06 0.20 0.69 -1.71 -0.76 0.00 0.00 175.35 173.83 2jqz n ASN 23 N -0.42 -4.42 -4.67 2.83 4.05 -0.76 -0.46 115.26 111.40 2jqz n ASN 23 Ca -0.07 -1.22 -0.43 0.00 0.45 0.00 0.00 54.58 53.31 2jqz n ASN 23 Cb 0.60 -1.91 -0.02 0.00 1.23 0.00 0.00 39.78 39.68 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 -7.00 4.20 -0.25 1.20 2.01 -0.85 -2.03 118.68 115.97 2jqz s LEU 24 Ca 0.43 1.70 -0.33 0.00 0.01 0.00 0.00 54.13 55.94 2jqz s LEU 24 Cb -0.22 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.33 2jqz s LEU 24 CO 0.95 -0.70 2.12 0.55 1.01 0.00 0.00 176.35 180.28 2jqz n VAL 25 N 5.14 0.32 0.29 -1.59 3.14 -1.26 -4.70 118.33 119.67 2jqz n VAL 25 Ca 0.13 -0.28 0.10 0.00 -2.96 0.00 0.00 64.34 61.33 2jqz n VAL 25 Cb 0.45 -1.95 0.54 0.00 -1.06 0.00 0.00 33.84 31.83 2jqz n VAL 25 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2jqz h LYS 26 N 12.37 0.00 0.00 1.45 1.57 -1.92 -3.41 116.57 126.63 2jqz h LYS 26 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2jqz h LYS 26 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2jqz h LYS 26 CO 0.99 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.50 2jqz n LYS 27 N -2.61 0.00 -3.94 3.15 4.76 -1.26 -3.25 118.16 115.01 2jqz n LYS 27 Ca -0.01 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 2jqz n LYS 27 Cb 0.50 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.65 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 -1.24 6.31 -0.08 4.39 1.01 -1.26 -5.05 116.67 120.75 2jqz s ASP 28 Ca 0.00 0.22 -0.04 0.00 0.71 0.00 0.00 52.55 53.44 2jqz s ASP 28 Cb 0.00 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.99 2jqz s ASP 28 CO 0.00 0.13 0.17 0.15 0.21 0.00 0.00 175.17 175.83 2jqz h PHE 29 N 2.75 -0.13 0.00 4.23 3.57 -2.01 -3.31 116.94 122.05 2jqz h PHE 29 Ca -0.46 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2jqz h PHE 29 Cb 1.17 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2jqz h PHE 29 CO 0.58 -0.08 0.00 0.74 -2.23 0.00 0.00 178.31 177.32 2jqz h PHE 30 N -0.98 0.00 -4.45 0.41 0.04 -1.96 -3.44 116.94 106.56 2jqz h PHE 30 Ca -0.01 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.43 2jqz h PHE 30 Cb 0.11 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 2jqz h PHE 30 CO 0.00 0.00 -0.24 0.54 -0.60 0.00 0.00 178.31 178.01 2jqz n ARG 31 N -2.49 1.29 -4.12 1.51 1.74 -1.25 -5.18 116.66 108.17 2jqz n ARG 31 Ca 0.00 -1.86 -0.11 0.00 -0.77 0.00 0.00 57.85 55.12 2jqz n ARG 31 Cb 0.17 0.56 -0.08 0.00 -1.02 0.00 0.00 32.46 32.09 2jqz n ARG 31 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2jqz s LEU 32 N 0.00 0.81 0.18 0.55 2.96 -1.26 -4.30 118.68 117.62 2jqz s LEU 32 Ca 0.02 -1.21 -0.07 0.00 -0.22 0.00 0.00 54.13 52.65 2jqz s LEU 32 Cb 0.00 0.96 -0.06 0.00 0.50 0.00 0.00 46.19 47.59 2jqz s LEU 32 CO 0.01 -0.97 0.45 -2.16 -1.32 0.00 0.00 176.35 172.36 2jqz s PRO 33 N -4.08 3.70 -0.81 0.98 0.04 -1.20 -4.75 135.00 128.87 2jqz s PRO 33 Ca 0.32 0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.44 2jqz s PRO 33 Cb 0.04 -2.76 0.21 0.00 0.04 0.00 0.00 34.50 32.02 2jqz s PRO 33 CO 0.11 0.40 0.70 -0.25 0.04 0.00 0.00 177.00 178.01 2jqz n ASP 34 N -0.02 3.82 -4.77 6.66 9.92 -1.26 -2.57 116.55 128.35 2jqz n ASP 34 Ca -0.01 -3.20 -0.41 0.00 -0.53 0.00 0.00 54.79 50.63 2jqz n ASP 34 Cb 0.52 -0.92 -0.00 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 -1.58 4.12 0.23 -0.24 0.04 -1.16 -1.25 135.00 135.16 2jqz s PRO 35 Ca 0.28 2.56 -0.12 0.00 0.04 0.00 0.00 61.00 63.75 2jqz s PRO 35 Cb -0.03 -2.98 -0.00 0.00 0.04 0.00 0.00 34.50 31.52 2jqz s PRO 35 CO -0.12 -0.54 0.45 -0.59 0.04 0.00 0.00 177.00 176.24 2jqz s PHE 36 N -0.94 0.35 0.19 0.56 -0.71 -0.78 -0.06 117.98 116.58 2jqz s PHE 36 Ca 0.54 -0.70 0.11 0.00 -1.04 0.00 0.00 56.93 55.84 2jqz s PHE 36 Cb -0.46 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 2jqz s PHE 36 CO 0.60 -0.94 -0.23 0.00 -1.34 0.00 0.00 175.22 173.31 2jqz s ALA 37 N -4.00 2.42 -0.17 1.99 0.00 -1.11 -1.49 121.76 119.39 2jqz s ALA 37 Ca 0.21 -1.61 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 2jqz s ALA 37 Cb -0.00 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.88 2jqz s ALA 37 CO 0.07 0.39 0.09 0.15 0.00 0.00 0.00 175.76 176.45 2jqz s LYS 38 N -2.68 0.09 0.06 0.00 1.02 0.06 -0.12 119.74 118.16 2jqz s LYS 38 Ca 0.19 -0.09 -0.17 0.00 0.02 0.00 0.00 55.97 55.93 2jqz s LYS 38 Cb -0.07 -1.81 -0.06 0.00 -0.52 0.00 0.00 37.83 35.37 2jqz s LYS 38 CO 0.09 -0.66 0.51 0.08 -0.92 0.00 0.00 175.35 174.46 2jqz s VAL 39 N 2.12 4.85 0.04 3.17 1.01 0.95 -1.97 120.40 130.57 2jqz s VAL 39 Ca 0.02 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.06 2jqz s VAL 39 Cb -0.16 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2jqz s VAL 39 CO -0.09 0.53 -0.07 0.68 0.00 0.00 0.00 175.10 176.15 2jqz s VAL 40 N -1.14 0.45 -0.28 2.92 -7.23 -0.94 -0.99 120.40 113.18 2jqz s VAL 40 Ca 0.28 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 2jqz s VAL 40 Cb -0.18 -0.53 0.07 0.00 0.56 0.00 0.00 36.38 36.30 2jqz s VAL 40 CO 0.17 -0.38 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.83 2jqz s VAL 41 N -1.33 2.27 -1.10 1.32 1.01 -0.71 -2.31 120.40 119.55 2jqz s VAL 41 Ca -0.11 -1.79 -0.23 0.00 0.00 0.00 0.00 61.98 59.85 2jqz s VAL 41 Cb -0.10 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2jqz s VAL 41 CO 0.00 -0.18 1.88 -0.62 0.00 0.00 0.00 175.10 176.18 2jqz s ASP 42 N 1.08 5.37 0.00 3.32 2.15 -1.17 -1.57 116.67 125.84 2jqz s ASP 42 Ca -0.04 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 51.52 2jqz s ASP 42 Cb -0.20 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 2jqz s ASP 42 CO -0.05 -2.65 0.00 0.61 -0.17 0.00 0.00 175.17 172.90 2jqz n GLY 43 N 6.18 3.12 0.03 2.66 0.00 -1.26 -4.22 105.19 111.69 2jqz n GLY 43 Ca 0.43 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 1.02 0.00 1.61 7.64 -1.11 -4.99 113.62 117.78 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 1.57 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 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 1.64 2.21 3.68 0.23 0.00 -0.61 -4.98 105.19 107.35 2jqz n GLY 45 Ca -0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 2jqz n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqz n GLN 46 N -2.00 2.35 -4.38 1.61 6.02 -1.26 -4.70 117.38 115.02 2jqz n GLN 46 Ca 0.00 0.86 -0.26 0.00 -0.01 0.00 0.00 57.00 57.58 2jqz n GLN 46 Cb 0.00 -2.71 -0.12 0.00 1.02 0.00 0.00 30.24 28.43 2jqz n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jqz s HIS 48 N -1.43 0.56 -0.20 0.00 3.76 -0.16 -4.96 115.29 112.86 2jqz s HIS 48 Ca 0.16 -0.89 -0.19 0.00 -0.15 0.00 0.00 55.06 53.99 2jqz s HIS 48 Cb -0.09 -0.03 0.05 0.00 1.11 0.00 0.00 32.58 33.62 2jqz s HIS 48 CO 0.07 -0.86 0.53 -1.54 -0.85 0.00 0.00 174.74 172.09 2jqz s SER 49 N -3.04 -0.56 0.10 1.40 1.04 -1.26 -0.03 113.70 111.35 2jqz s SER 49 Ca 0.26 1.07 0.04 0.00 0.48 0.00 0.00 55.95 57.79 2jqz s SER 49 Cb 0.02 1.08 -0.04 0.00 0.10 0.00 0.00 66.02 67.18 2jqz s SER 49 CO 0.08 -0.19 0.07 0.42 0.98 0.00 0.00 173.24 174.60 2jqz s THR 50 N 0.26 4.38 1.00 2.02 -4.23 0.82 -4.94 115.64 114.95 2jqz s THR 50 Ca -0.00 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 59.45 2jqz s THR 50 Cb -0.04 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.68 2jqz s THR 50 CO 0.01 0.07 -0.01 0.47 -0.54 0.00 0.00 174.62 174.62 2jqz n ASP 51 N 0.30 -2.84 -4.89 3.99 8.00 -1.26 -2.75 116.55 117.09 2jqz n ASP 51 Ca -0.09 0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.26 2jqz n ASP 51 Cb 0.52 -1.03 -0.05 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.27 5.16 -0.29 -3.53 2.01 -1.26 -4.18 115.64 111.28 2jqz s THR 52 Ca 0.53 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.61 2jqz s THR 52 Cb -0.16 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.78 2jqz s THR 52 CO 0.70 0.07 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.96 2jqz s VAL 53 N -1.63 2.59 0.26 3.82 1.01 0.91 -4.97 120.40 122.39 2jqz s VAL 53 Ca 0.40 -1.57 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 2jqz s VAL 53 Cb -0.12 -2.54 -0.12 0.00 0.00 0.00 0.00 36.38 33.60 2jqz s VAL 53 CO 0.24 -0.12 1.65 -0.54 0.00 0.00 0.00 175.10 176.33 2jqz s LYS 54 N 1.16 4.11 0.00 2.72 3.01 -1.26 -3.00 119.74 126.48 2jqz s LYS 54 Ca -0.06 2.61 0.00 0.00 -1.01 0.00 0.00 55.97 57.51 2jqz s LYS 54 Cb -0.20 -3.04 0.00 0.00 -1.01 0.00 0.00 37.83 33.58 2jqz s LYS 54 CO -0.03 -0.69 0.00 0.27 0.51 0.00 0.00 175.35 175.41 2jqz n ASN 55 N 2.82 0.00 -3.58 2.83 0.23 -1.14 -4.94 115.26 111.49 2jqz n ASN 55 Ca 0.11 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.01 2jqz n ASN 55 Cb 0.36 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.00 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 0.00 0.02 -1.10 5.53 -1.32 -1.06 -4.97 115.64 112.75 2jqz s THR 56 Ca 0.00 -0.18 0.11 0.00 -1.21 0.00 0.00 61.69 60.41 2jqz s THR 56 Cb 0.00 -0.93 0.21 0.00 -1.51 0.00 0.00 72.50 70.27 2jqz s THR 56 CO 0.00 -0.10 1.08 0.18 -2.21 0.00 0.00 174.62 173.57 2jqz n LEU 57 N 0.69 2.49 -2.81 9.08 4.77 -1.26 -4.65 117.00 125.31 2jqz n LEU 57 Ca -0.19 -1.58 -0.07 0.00 -0.03 0.00 0.00 56.01 54.13 2jqz n LEU 57 Cb 0.59 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 2jqz n LEU 57 CO 0.21 0.58 0.10 0.47 -1.33 0.00 0.00 177.39 177.42 2jqz n ASP 58 N 0.54 -2.99 -2.27 -1.43 8.00 -1.26 -1.83 116.55 115.31 2jqz n ASP 58 Ca 0.09 -2.99 -0.04 0.00 0.71 0.00 0.00 54.79 52.56 2jqz n ASP 58 Cb 0.36 1.55 0.03 0.00 -0.02 0.00 0.00 41.12 43.04 2jqz n ASP 58 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2jqz n PRO 59 N 2.50 -0.20 -3.59 -0.24 -0.04 -1.21 -4.87 135.00 127.36 2jqz n PRO 59 Ca 0.16 -0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 2jqz n PRO 59 Cb 0.57 -0.19 -0.06 0.00 -0.04 0.00 0.00 33.50 33.78 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 -3.41 0.62 0.00 0.54 0.00 -1.26 -2.77 119.74 113.45 2jqz s LYS 60 Ca 0.11 0.34 0.00 0.00 0.00 0.00 0.00 55.97 56.42 2jqz s LYS 60 Cb -0.00 0.29 0.00 0.00 0.00 0.00 0.00 37.83 38.12 2jqz s LYS 60 CO 0.07 -0.15 0.00 0.91 0.00 0.00 0.00 175.35 176.18 2jqz n TRP 61 N 1.33 0.00 -3.15 1.78 8.01 -0.60 -4.97 117.44 119.84 2jqz n TRP 61 Ca -0.12 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 55.89 2jqz n TRP 61 Cb 0.57 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.86 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 -0.96 -2.86 -4.66 -0.99 6.94 -0.16 -4.92 115.26 107.65 2jqz n ASN 62 Ca 0.00 -0.19 -0.33 0.00 -0.02 0.00 0.00 54.58 54.04 2jqz n ASN 62 Cb 0.15 -2.43 -0.09 0.00 -2.36 0.00 0.00 39.78 35.04 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 -5.76 2.82 -0.00 -3.83 -0.21 -1.03 -4.91 119.66 106.73 2jqz s GLN 63 Ca 0.29 -0.55 0.05 0.00 0.02 0.00 0.00 55.36 55.16 2jqz s GLN 63 Cb -0.16 -2.68 -0.01 0.00 1.00 0.00 0.00 33.01 31.16 2jqz s GLN 63 CO 0.36 0.65 -0.15 -3.38 -2.12 0.00 0.00 175.29 170.65 2jqz s HIS 64 N -0.98 1.33 -0.03 0.91 -3.43 -1.26 0.48 115.29 112.30 2jqz s HIS 64 Ca 0.17 -0.27 0.06 0.00 -0.80 0.00 0.00 55.06 54.22 2jqz s HIS 64 Cb -0.11 -0.84 -0.01 0.00 -1.43 0.00 0.00 32.58 30.18 2jqz s HIS 64 CO 0.06 -0.01 -0.22 0.71 -2.00 0.00 0.00 174.74 173.28 2jqz s TYR 65 N -0.42 2.10 -0.61 0.38 2.02 -1.04 -4.94 117.35 114.83 2jqz s TYR 65 Ca 0.05 -0.50 -0.06 0.00 -0.37 0.00 0.00 57.07 56.19 2jqz s TYR 65 Cb -0.06 -1.37 0.16 0.00 -0.40 0.00 0.00 41.96 40.29 2jqz s TYR 65 CO -0.00 -0.11 0.46 0.16 -1.57 0.00 0.00 175.55 174.48 2jqz s ASP 66 N -0.32 5.62 0.66 2.29 -4.77 -1.26 -1.62 116.67 117.27 2jqz s ASP 66 Ca 0.03 -2.55 -0.01 0.00 -3.30 0.00 0.00 52.55 46.71 2jqz s ASP 66 Cb -0.11 -1.95 0.10 0.00 -1.09 0.00 0.00 42.92 39.87 2jqz s ASP 66 CO 0.01 -0.49 0.68 0.18 0.70 0.00 0.00 175.17 176.25 2jqz n LEU 67 N 3.98 0.00 -4.49 2.11 7.99 -0.46 -4.77 117.00 121.35 2jqz n LEU 67 Ca 0.05 -1.34 -0.28 0.00 -0.01 0.00 0.00 56.01 54.42 2jqz n LEU 67 Cb 0.40 -0.46 -0.11 0.00 -0.11 0.00 0.00 43.42 43.15 2jqz n LEU 67 CO 0.35 -0.86 -0.48 -0.31 -1.51 0.00 0.00 177.39 174.59 2jqz s TYR 68 N -2.07 2.51 -0.19 -1.77 2.02 -1.26 -1.10 117.35 115.49 2jqz s TYR 68 Ca 0.44 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.86 2jqz s TYR 68 Cb -0.02 -1.29 0.05 0.00 -0.40 0.00 0.00 41.96 40.30 2jqz s TYR 68 CO 0.30 0.44 -0.01 0.42 -1.57 0.00 0.00 175.55 175.12 2jqz s ILE 69 N -1.37 0.94 0.00 2.71 -1.09 0.67 -4.86 121.20 118.20 2jqz s ILE 69 Ca 0.20 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 2jqz s ILE 69 Cb -0.10 -1.29 0.00 0.00 -1.58 0.00 0.00 42.46 39.49 2jqz s ILE 69 CO 0.11 -0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 2jqz n GLY 70 N 4.90 -1.39 0.32 6.18 0.00 -1.26 -1.15 105.19 112.79 2jqz n GLY 70 Ca -0.10 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 2jqz n GLY 70 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jqz h LYS 71 N 0.00 -0.14 -0.96 1.61 -0.00 -2.00 -3.08 116.57 111.99 2jqz h LYS 71 Ca 0.00 0.01 -0.45 0.00 -0.00 0.00 0.00 60.65 60.21 2jqz h LYS 71 Cb 0.00 0.03 -0.41 0.00 -0.00 0.00 0.00 32.23 31.85 2jqz h LYS 71 CO 0.00 -0.10 -0.94 -1.13 -0.00 0.00 0.00 179.45 177.28 2jqz n SER 72 N -5.43 3.35 -4.94 7.07 3.41 -1.26 -5.04 113.62 110.77 2jqz n SER 72 Ca 0.04 -3.14 -0.24 0.00 -0.26 0.00 0.00 58.87 55.28 2jqz n SER 72 Cb 0.35 -0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2jqz n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jqz s ASP 73 N -3.52 6.16 0.03 4.04 2.15 -1.16 -4.93 116.67 119.44 2jqz s ASP 73 Ca 0.40 0.45 -0.08 0.00 0.43 0.00 0.00 52.55 53.74 2jqz s ASP 73 Cb 0.40 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 41.11 2jqz s ASP 73 CO -0.04 -0.44 0.16 -0.94 -0.17 0.00 0.00 175.17 173.74 2jqz s SER 74 N -4.09 0.06 -0.02 -0.34 1.04 -1.26 -2.84 113.70 106.24 2jqz s SER 74 Ca 0.43 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.57 2jqz s SER 74 Cb -0.10 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 2jqz s SER 74 CO 0.37 -0.50 -0.24 -0.69 0.98 0.00 0.00 173.24 173.16 2jqz s VAL 75 N -2.29 1.92 -0.23 5.02 1.01 -0.88 -3.04 120.40 121.90 2jqz s VAL 75 Ca -0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 2jqz s VAL 75 Cb -0.03 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.83 2jqz s VAL 75 CO -0.03 0.54 -0.01 -0.89 0.00 0.00 0.00 175.10 174.72 2jqz s THR 76 N -0.56 1.14 -0.26 3.92 2.01 -0.98 -2.02 115.64 118.88 2jqz s THR 76 Ca 0.09 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 60.86 2jqz s THR 76 Cb -0.09 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 2jqz s THR 76 CO -0.01 -0.20 0.58 -0.63 -0.69 0.00 0.00 174.62 173.67 2jqz s ILE 77 N 1.56 5.01 0.32 1.82 1.01 -0.00 -2.22 121.20 128.71 2jqz s ILE 77 Ca -0.02 1.01 0.09 0.00 0.00 0.00 0.00 60.65 61.72 2jqz s ILE 77 Cb -0.18 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 2jqz s ILE 77 CO -0.08 0.03 0.09 -0.44 0.00 0.00 0.00 174.94 174.54 2jqz s SER 78 N 1.52 4.61 -0.06 3.58 0.01 -0.83 0.05 113.70 122.57 2jqz s SER 78 Ca 0.24 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.76 2jqz s SER 78 Cb -0.15 -0.75 0.02 0.00 0.21 0.00 0.00 66.02 65.34 2jqz s SER 78 CO 0.09 -0.21 -0.07 -0.69 0.41 0.00 0.00 173.24 172.77 2jqz s VAL 79 N -2.40 0.79 0.18 3.43 1.01 0.76 -0.76 120.40 123.40 2jqz s VAL 79 Ca 0.36 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.20 2jqz s VAL 79 Cb -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2jqz s VAL 79 CO 0.22 0.29 -0.23 0.26 0.00 0.00 0.00 175.10 175.64 2jqz s TRP 80 N 1.04 2.35 -0.70 5.22 0.52 -0.56 -1.93 118.94 124.88 2jqz s TRP 80 Ca -0.09 -0.34 -0.20 0.00 0.02 0.00 0.00 56.10 55.50 2jqz s TRP 80 Cb -0.14 -1.19 0.11 0.00 -1.15 0.00 0.00 33.47 31.09 2jqz s TRP 80 CO -0.00 0.47 0.89 1.21 0.02 0.00 0.00 176.95 179.53 2jqz s ASN 81 N -2.55 6.31 0.31 2.95 3.04 0.40 -1.86 114.94 123.53 2jqz s ASN 81 Ca 0.20 -1.50 0.03 0.00 0.04 0.00 0.00 52.86 51.63 2jqz s ASN 81 Cb -0.09 -2.36 0.78 0.00 -1.54 0.00 0.00 41.25 38.05 2jqz s ASN 81 CO 0.10 -1.18 1.59 -0.74 -3.04 0.00 0.00 177.10 173.83 2jqz h HIS 82 N 9.15 0.11 -0.15 0.43 -0.00 -1.44 0.36 115.15 123.61 2jqz h HIS 82 Ca -0.17 0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.29 2jqz h HIS 82 Cb 1.06 0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.55 2jqz h HIS 82 CO 0.96 -0.38 -0.04 0.87 -0.00 0.00 0.00 177.93 179.34 2jqz h LYS 83 N 0.05 -0.00 0.00 5.26 1.79 -1.92 -2.82 116.57 118.94 2jqz h LYS 83 Ca 0.60 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.95 2jqz h LYS 83 Cb 1.27 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 2jqz h LYS 83 CO -0.84 -0.00 -0.59 0.87 -1.08 0.00 0.00 179.45 177.81 2jqz h LYS 84 N -0.00 0.00 -0.24 3.15 1.79 -0.98 -2.53 116.57 117.76 2jqz h LYS 84 Ca 0.07 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.59 2jqz h LYS 84 Cb 0.11 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2jqz h LYS 84 CO -0.15 0.59 0.17 -0.84 -1.08 0.00 0.00 179.45 178.14 2jqz h ILE 85 N 0.00 0.93 0.00 1.86 3.07 -0.22 0.72 117.51 123.88 2jqz h ILE 85 Ca -0.01 -0.04 -0.19 0.00 1.55 0.00 0.00 64.86 66.18 2jqz h ILE 85 Cb 1.42 0.82 -0.03 0.00 -0.27 0.00 0.00 36.82 38.76 2jqz h ILE 85 CO 0.08 0.02 -0.94 0.45 -1.05 0.00 0.00 178.15 176.70 2jqz h HIS 86 N 0.10 0.00 0.00 0.16 3.86 -1.40 -3.15 115.15 114.72 2jqz h HIS 86 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2jqz h HIS 86 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2jqz h HIS 86 CO -0.00 0.87 0.03 1.17 0.86 0.00 0.00 177.93 180.86 2jqz n LYS 87 N -3.28 0.09 -0.94 2.45 3.00 0.25 -4.95 118.16 114.77 2jqz n LYS 87 Ca -0.01 0.58 0.13 0.00 -0.00 0.00 0.00 58.31 59.00 2jqz n LYS 87 Cb 0.90 -1.82 -0.03 0.00 0.00 0.00 0.00 35.03 34.08 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 -1.97 -1.90 0.00 1.64 4.76 -0.82 -4.89 118.16 114.98 2jqz n LYS 88 Ca -0.01 1.25 0.00 0.00 -2.87 0.00 0.00 58.31 56.69 2jqz n LYS 88 Cb 0.05 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 30.93 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 -3.13 0.00 0.13 1.97 6.02 -1.26 -2.76 117.38 118.35 2jqz n GLN 89 Ca 0.01 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.18 2jqz n GLN 89 Cb 0.43 0.00 0.77 0.00 1.02 0.00 0.00 30.24 32.46 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 -5.13 1.08 0.00 -1.95 -3.42 103.07 93.66 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 1.09 0.00 0.00 0.00 0.00 176.54 177.63 2jqz n ALA 91 N -2.38 1.92 0.00 3.60 0.00 -1.11 -3.91 120.51 118.62 2jqz n ALA 91 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2jqz n ALA 91 Cb 0.49 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.38 2jqz n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqz n GLY 92 N 4.21 -0.70 3.66 0.00 0.00 -1.23 -3.55 105.19 107.58 2jqz n GLY 92 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 2.94 0.11 1.61 5.36 -1.25 -0.45 117.98 126.29 2jqz s PHE 93 Ca 0.00 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 2jqz s PHE 93 Cb 0.00 -1.53 0.00 0.00 -0.34 0.00 0.00 43.02 41.15 2jqz s PHE 93 CO 0.00 0.46 0.00 1.28 -1.46 0.00 0.00 175.22 175.50 2jqz n LEU 94 N 0.69 0.29 -3.44 6.12 4.77 -0.91 -4.49 117.00 120.04 2jqz n LEU 94 Ca -0.12 0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2jqz n LEU 94 Cb 0.52 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 2jqz n LEU 94 CO 0.37 -0.54 0.78 -0.83 -1.33 0.00 0.00 177.39 175.84 2jqz s GLY 95 N -4.69 0.13 -0.21 -0.72 0.00 -0.81 -4.24 107.32 96.77 2jqz s GLY 95 Ca 0.00 3.38 -0.07 0.00 0.00 0.00 0.00 44.72 48.04 2jqz s GLY 95 CO 0.00 3.06 0.05 0.00 0.00 0.00 0.00 173.10 176.21 2jqz s VAL 97 N 1.01 4.85 -0.09 0.00 0.11 0.11 -4.67 120.40 121.73 2jqz s VAL 97 Ca 0.04 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2jqz s VAL 97 Cb -0.14 -3.20 0.01 0.00 -1.53 0.00 0.00 36.38 31.51 2jqz s VAL 97 CO 0.03 0.43 -0.17 -0.60 -3.33 0.00 0.00 175.10 171.46 2jqz s ARG 98 N 0.56 2.28 -0.08 1.54 3.52 -1.26 -0.82 118.95 124.69 2jqz s ARG 98 Ca 0.04 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 2jqz s ARG 98 Cb -0.13 -1.84 0.01 0.00 -1.56 0.00 0.00 34.95 31.44 2jqz s ARG 98 CO 0.01 0.04 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.87 2jqz s LEU 99 N 0.67 1.80 0.00 -0.88 2.01 -0.86 -5.03 118.68 116.39 2jqz s LEU 99 Ca -0.13 -0.40 -0.04 0.00 0.01 0.00 0.00 54.13 53.57 2jqz s LEU 99 Cb -0.16 -1.04 0.14 0.00 0.01 0.00 0.00 46.19 45.14 2jqz s LEU 99 CO 0.04 0.08 0.92 0.18 1.01 0.00 0.00 176.35 178.57 2jqz n LEU 100 N 3.74 0.00 -0.15 1.79 4.77 -1.26 -2.07 117.00 123.81 2jqz n LEU 100 Ca -0.21 -1.58 -0.04 0.00 -0.03 0.00 0.00 56.01 54.15 2jqz n LEU 100 Cb 0.52 -0.63 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2jqz n LEU 100 CO 0.26 -1.03 0.97 -1.28 -1.33 0.00 0.00 177.39 174.99 2jqz h SER 101 N -0.80 0.22 -0.70 -1.43 0.87 -1.88 0.26 113.55 110.10 2jqz h SER 101 Ca -0.30 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 2jqz h SER 101 Cb 1.00 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2jqz h SER 101 CO 0.28 0.16 0.15 -0.55 -0.53 0.00 0.00 176.83 176.34 2jqz h ASN 102 N 0.38 1.07 -0.09 6.23 7.08 -1.94 -2.56 115.58 125.75 2jqz h ASN 102 Ca 0.22 -0.24 -0.12 0.00 -3.08 0.00 0.00 56.30 53.08 2jqz h ASN 102 Cb 0.20 -0.28 -0.01 0.00 -2.08 0.00 0.00 38.32 36.15 2jqz h ASN 102 CO -0.21 1.04 -0.35 0.00 -2.08 0.00 0.00 177.43 175.83 2jqz h ALA 103 N 1.07 0.90 -0.81 4.14 0.00 -1.77 -2.79 119.26 120.00 2jqz h ALA 103 Ca 0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2jqz h ALA 103 Cb 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2jqz h ALA 103 CO 0.01 0.63 0.44 0.82 0.00 0.00 0.00 179.25 181.15 2jqz h ILE 104 N 0.50 1.24 0.27 0.00 5.03 -0.13 0.23 117.51 124.64 2jqz h ILE 104 Ca 0.05 -0.58 -0.01 0.00 -0.12 0.00 0.00 64.86 64.20 2jqz h ILE 104 Cb 0.83 0.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.77 2jqz h ILE 104 CO 0.07 0.26 -0.13 0.78 -0.68 0.00 0.00 178.15 178.45 2jqz h ASN 105 N 1.13 -0.30 -0.93 1.72 2.35 -1.34 0.29 115.58 118.50 2jqz h ASN 105 Ca 0.29 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2jqz h ASN 105 Cb 0.02 0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 2jqz h ASN 105 CO -0.05 0.15 0.59 0.03 -1.65 0.00 0.00 177.43 176.51 2jqz h ARG 106 N -0.86 1.24 -0.02 0.81 3.08 -1.44 -2.72 114.38 114.48 2jqz h ARG 106 Ca -0.04 -0.09 -0.26 0.00 0.07 0.00 0.00 59.98 59.66 2jqz h ARG 106 Cb 0.51 -0.27 0.02 0.00 0.08 0.00 0.00 29.97 30.31 2jqz h ARG 106 CO 0.06 0.84 -1.01 -0.07 -1.07 0.00 0.00 179.97 178.72 2jqz h LEU 107 N 1.27 0.90 -1.63 3.04 3.38 -0.59 -2.60 115.31 119.07 2jqz h LEU 107 Ca 0.34 -0.70 0.12 0.00 0.09 0.00 0.00 57.88 57.73 2jqz h LEU 107 Cb -0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.33 2jqz h LEU 107 CO -0.07 1.50 0.45 0.07 0.09 0.00 0.00 178.44 180.48 2jqz h LYS 108 N 0.40 0.38 0.00 1.13 5.09 -0.09 -1.57 116.57 121.91 2jqz h LYS 108 Ca -0.12 -0.02 -0.27 0.00 0.09 0.00 0.00 60.65 60.33 2jqz h LYS 108 Cb 1.66 -0.09 -0.05 0.00 0.10 0.00 0.00 32.23 33.86 2jqz h LYS 108 CO 0.20 0.25 -1.72 -3.47 -2.09 0.00 0.00 179.45 172.62 2jqz n ASP 109 N -4.47 0.76 0.34 7.07 2.03 -1.13 -2.96 116.55 118.19 2jqz n ASP 109 Ca 0.12 0.36 -0.17 0.00 0.52 0.00 0.00 54.79 55.61 2jqz n ASP 109 Cb 0.45 0.14 -0.09 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.00 0.39 -0.25 5.18 1.35 -0.90 -3.50 112.91 115.17 2jqz h THR 110 Ca -0.28 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2jqz h THR 110 Cb 1.93 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2jqz h THR 110 CO 0.06 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2jqz n GLY 111 N -1.32 -1.84 2.56 5.82 0.00 -0.81 -5.00 105.19 104.61 2jqz n GLY 111 Ca -0.13 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 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 0.74 -3.91 -4.86 1.61 4.01 -1.24 -4.78 117.16 108.73 2jqz n TYR 112 Ca 0.00 1.99 -0.27 0.00 -0.16 0.00 0.00 57.90 59.46 2jqz n TYR 112 Cb 0.00 -3.79 -0.16 0.00 -0.31 0.00 0.00 39.34 35.08 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 -1.14 2.09 -0.34 -0.72 -1.52 0.17 -4.90 119.66 113.30 2jqz s GLN 113 Ca -0.12 -0.62 -0.11 0.00 -1.95 0.00 0.00 55.36 52.55 2jqz s GLN 113 Cb 0.01 -1.71 -0.00 0.00 -0.22 0.00 0.00 33.01 31.09 2jqz s GLN 113 CO 0.73 0.16 0.20 -0.98 -0.25 0.00 0.00 175.29 175.15 2jqz s ARG 114 N 0.30 3.27 -0.16 2.91 1.70 -1.26 -1.41 118.95 124.30 2jqz s ARG 114 Ca -0.11 -0.78 -0.02 0.00 -0.47 0.00 0.00 55.73 54.35 2jqz s ARG 114 Cb -0.15 -3.70 -0.02 0.00 -0.57 0.00 0.00 34.95 30.51 2jqz s ARG 114 CO 0.04 -0.50 -0.07 -0.51 -1.08 0.00 0.00 175.30 173.18 2jqz s LEU 115 N 1.64 3.00 0.40 -1.89 2.01 0.24 -4.92 118.68 119.17 2jqz s LEU 115 Ca 0.05 -0.24 -0.26 0.00 0.01 0.00 0.00 54.13 53.68 2jqz s LEU 115 Cb -0.18 -1.71 -0.09 0.00 0.01 0.00 0.00 46.19 44.22 2jqz s LEU 115 CO 0.08 0.14 1.35 1.51 1.01 0.00 0.00 176.35 180.44 2jqz s ASP 116 N 0.54 6.27 -0.54 2.29 1.47 -1.26 -0.65 116.67 124.79 2jqz s ASP 116 Ca -0.05 2.76 -0.17 0.00 1.18 0.00 0.00 52.55 56.27 2jqz s ASP 116 Cb -0.15 -2.65 0.10 0.00 -0.34 0.00 0.00 42.92 39.88 2jqz s ASP 116 CO 0.03 -0.89 0.56 -0.76 0.68 0.00 0.00 175.17 174.80 2jqz s LEU 117 N -2.38 5.63 0.38 2.11 1.43 0.18 -4.80 118.68 121.22 2jqz s LEU 117 Ca 0.56 -1.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 2jqz s LEU 117 Cb -0.40 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 2jqz s LEU 117 CO 0.53 -0.91 0.06 0.00 0.23 0.00 0.00 176.35 176.26 2jqz s LYS 119 N -3.82 0.10 0.38 0.00 0.00 -1.26 -3.70 119.74 111.45 2jqz s LYS 119 Ca 0.29 1.08 0.06 0.00 0.00 0.00 0.00 55.97 57.41 2jqz s LYS 119 Cb 0.07 -1.65 0.77 0.00 0.00 0.00 0.00 37.83 37.01 2jqz s LYS 119 CO 0.14 -3.11 2.00 -0.07 0.00 0.00 0.00 175.35 174.31 2jqz h LEU 120 N -2.19 0.49 0.00 2.77 -0.00 -1.95 -3.47 115.31 110.96 2jqz h LEU 120 Ca -0.53 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 2jqz h LEU 120 Cb 1.30 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2jqz h LEU 120 CO 0.48 0.42 0.00 0.61 -0.00 0.00 0.00 178.44 179.95 2jqz n GLY 121 N -1.29 0.45 0.31 0.83 0.00 -1.26 -5.01 105.19 99.22 2jqz n GLY 121 Ca 0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 2jqz n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jqz h PRO 122 N 0.00 0.79 0.00 1.61 0.11 -1.96 -1.55 132.00 131.01 2jqz h PRO 122 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2jqz h PRO 122 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 2jqz h PRO 122 CO 0.00 0.66 0.00 0.09 -0.21 0.00 0.00 178.00 178.54 2jqz n ASN 123 N -4.33 0.00 -4.31 -2.05 3.02 -1.26 -4.78 115.26 101.55 2jqz n ASN 123 Ca 0.04 -0.76 -0.26 0.00 -0.03 0.00 0.00 54.58 53.58 2jqz n ASN 123 Cb 0.16 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 2jqz n ASN 123 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jqz n ASP 124 N -0.97 2.94 -4.61 6.41 8.00 -0.58 -5.05 116.55 122.68 2jqz n ASP 124 Ca 0.16 -2.78 -0.43 0.00 0.71 0.00 0.00 54.79 52.45 2jqz n ASP 124 Cb 0.07 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 2jqz n ASP 124 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2jqz s ASN 125 N -3.49 5.62 -1.08 -2.24 3.04 -1.26 -4.84 114.94 110.68 2jqz s ASN 125 Ca 0.09 1.98 -0.05 0.00 0.04 0.00 0.00 52.86 54.93 2jqz s ASN 125 Cb -0.01 -2.51 0.30 0.00 -1.54 0.00 0.00 41.25 37.49 2jqz s ASN 125 CO 0.06 -1.82 1.37 -0.90 -3.04 0.00 0.00 177.10 172.78 2jqz n ASP 126 N 11.03 6.14 -2.60 -4.21 5.75 -1.26 -4.63 116.55 126.76 2jqz n ASP 126 Ca 0.28 -3.32 -0.24 0.00 -0.01 0.00 0.00 54.79 51.51 2jqz n ASP 126 Cb 0.44 -1.29 -0.00 0.00 -1.03 0.00 0.00 41.12 39.25 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 1.66 2.14 -4.23 2.12 -2.24 -1.26 -5.05 114.28 107.41 2jqz n THR 127 Ca 0.25 -4.69 -0.26 0.00 -2.27 0.00 0.00 64.05 57.09 2jqz n THR 127 Cb 0.35 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 2jqz n THR 127 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2jqz n VAL 128 N -0.35 0.00 0.00 2.28 0.24 -1.26 -4.88 118.33 114.36 2jqz n VAL 128 Ca 0.32 -2.00 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 2jqz n VAL 128 Cb 0.65 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 2jqz n VAL 128 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2jqz n ARG 129 N -1.38 0.00 -2.56 7.34 0.63 -1.24 -4.92 116.66 114.53 2jqz n ARG 129 Ca -0.10 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.68 2jqz n ARG 129 Cb 0.55 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.50 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 2.11 3.40 5.14 0.00 -0.86 -4.75 105.19 110.23 2jqz n GLY 130 Ca 0.00 -2.21 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.85 1.86 -0.23 1.61 1.11 0.39 0.47 119.66 121.01 2jqz s GLN 131 Ca 0.40 -1.88 -0.16 0.00 0.01 0.00 0.00 55.36 53.73 2jqz s GLN 131 Cb -0.03 0.39 0.07 0.00 -1.01 0.00 0.00 33.01 32.43 2jqz s GLN 131 CO 0.25 -0.74 0.58 -1.50 0.01 0.00 0.00 175.29 173.90 2jqz s ILE 132 N -3.19 -0.01 -0.34 1.08 2.07 0.17 -0.83 121.20 120.16 2jqz s ILE 132 Ca 0.35 0.03 -0.09 0.00 -1.41 0.00 0.00 60.65 59.52 2jqz s ILE 132 Cb 0.01 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.78 2jqz s ILE 132 CO 0.24 0.01 0.15 -0.69 -1.91 0.00 0.00 174.94 172.74 2jqz s VAL 133 N 1.12 4.35 0.32 4.00 1.01 0.36 -0.59 120.40 130.97 2jqz s VAL 133 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2jqz s VAL 133 Cb -0.06 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 2jqz s VAL 133 CO -0.11 -0.09 0.01 1.33 0.00 0.00 0.00 175.10 176.25 2jqz n VAL 134 N 4.94 0.00 -3.80 2.92 0.24 -0.50 -2.22 118.33 119.91 2jqz n VAL 134 Ca -0.13 -1.54 -0.13 0.00 -2.04 0.00 0.00 64.34 60.50 2jqz n VAL 134 Cb 0.47 0.34 -0.14 0.00 -1.47 0.00 0.00 33.84 33.04 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 -2.77 -0.07 -0.29 -1.34 1.04 -0.05 0.46 113.70 110.68 2jqz s SER 135 Ca 0.02 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 2jqz s SER 135 Cb 0.00 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.28 2jqz s SER 135 CO 0.01 -0.09 0.06 -0.76 0.98 0.00 0.00 173.24 173.44 2jqz s LEU 136 N 0.62 3.79 -0.07 2.42 2.01 -1.26 -0.50 118.68 125.70 2jqz s LEU 136 Ca -0.05 -0.81 -0.04 0.00 0.01 0.00 0.00 54.13 53.25 2jqz s LEU 136 Cb -0.07 -1.84 0.04 0.00 0.01 0.00 0.00 46.19 44.33 2jqz s LEU 136 CO -0.03 -0.20 0.16 -1.58 1.01 0.00 0.00 176.35 175.72 2jqz s GLN 137 N 1.45 0.12 0.22 1.70 0.74 -0.92 -3.04 119.66 119.93 2jqz s GLN 137 Ca 0.01 0.37 -0.30 0.00 0.05 0.00 0.00 55.36 55.49 2jqz s GLN 137 Cb -0.17 -0.12 -0.09 0.00 1.10 0.00 0.00 33.01 33.72 2jqz s GLN 137 CO 0.01 -0.14 1.18 -1.54 -0.55 0.00 0.00 175.29 174.25 2jqz s SER 138 N 0.99 7.11 0.25 6.67 1.04 -1.24 -2.04 113.70 126.50 2jqz s SER 138 Ca -0.08 2.28 -0.05 0.00 0.48 0.00 0.00 55.95 58.58 2jqz s SER 138 Cb -0.10 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.36 2jqz s SER 138 CO -0.05 -0.32 0.51 -0.13 0.98 0.00 0.00 173.24 174.23 2jqz s ARG 139 N -0.69 3.64 0.00 4.02 1.81 -1.16 -4.88 118.95 121.69 2jqz s ARG 139 Ca 0.50 -0.00 0.27 0.00 -1.72 0.00 0.00 55.73 54.78 2jqz s ARG 139 Cb -0.33 -2.69 0.93 0.00 -0.45 0.00 0.00 34.95 32.41 2jqz s ARG 139 CO 0.39 0.28 1.68 -3.47 -0.68 0.00 0.00 175.30 173.50