#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 0.80 -0.14 1.61 0.04 -1.26 -4.98 135.00 131.07 2jqz s PRO 11 Ca 0.00 0.80 -0.05 0.00 0.04 0.00 0.00 61.00 61.79 2jqz s PRO 11 Cb 0.00 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2jqz s PRO 11 CO 0.00 -2.55 0.04 0.54 0.04 0.00 0.00 177.00 175.07 2jqz s VAL 12 N -2.87 4.62 -0.53 -0.36 0.11 -0.88 -4.83 120.40 115.66 2jqz s VAL 12 Ca 0.65 -0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 59.41 2jqz s VAL 12 Cb -0.19 -3.02 0.09 0.00 -1.53 0.00 0.00 36.38 31.73 2jqz s VAL 12 CO 0.58 0.54 0.58 -0.75 -3.33 0.00 0.00 175.10 172.72 2jqz s LYS 13 N -0.27 3.04 -0.13 1.54 2.20 -1.26 -0.97 119.74 123.89 2jqz s LYS 13 Ca 0.07 -1.27 -0.02 0.00 -0.36 0.00 0.00 55.97 54.40 2jqz s LYS 13 Cb -0.12 -4.20 -0.02 0.00 -1.51 0.00 0.00 37.83 31.98 2jqz s LYS 13 CO 0.02 -1.30 -0.08 -1.17 -0.36 0.00 0.00 175.35 172.46 2jqz s LEU 14 N 2.25 3.04 -0.21 5.43 1.98 -1.00 0.15 118.68 130.32 2jqz s LEU 14 Ca 0.09 -0.18 -0.07 0.00 -2.89 0.00 0.00 54.13 51.09 2jqz s LEU 14 Cb -0.24 -1.70 -0.03 0.00 0.66 0.00 0.00 46.19 44.88 2jqz s LEU 14 CO 0.07 0.21 0.05 0.00 -1.89 0.00 0.00 176.35 174.79 2jqz s ARG 15 N 0.12 3.77 -0.41 1.98 1.70 -0.94 -1.86 118.95 123.31 2jqz s ARG 15 Ca -0.03 -0.44 -0.15 0.00 -0.47 0.00 0.00 55.73 54.64 2jqz s ARG 15 Cb -0.14 -3.22 0.02 0.00 -0.57 0.00 0.00 34.95 31.05 2jqz s ARG 15 CO 0.04 0.05 0.30 -1.17 -1.08 0.00 0.00 175.30 173.43 2jqz s LEU 16 N 0.97 5.13 -0.46 -1.89 2.96 -0.79 -2.68 118.68 121.93 2jqz s LEU 16 Ca 0.03 -0.94 -0.21 0.00 -0.22 0.00 0.00 54.13 52.79 2jqz s LEU 16 Cb -0.14 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.42 2jqz s LEU 16 CO 0.03 -0.46 0.70 -0.89 -1.32 0.00 0.00 176.35 174.41 2jqz s THR 17 N 1.67 4.75 -0.96 3.68 2.01 -0.12 -2.31 115.64 124.36 2jqz s THR 17 Ca 0.05 0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.97 2jqz s THR 17 Cb -0.19 -4.27 0.07 0.00 0.01 0.00 0.00 72.50 68.11 2jqz s THR 17 CO 0.10 -0.69 1.33 -0.69 -0.69 0.00 0.00 174.62 173.98 2jqz s VAL 18 N 3.02 4.12 0.01 3.82 1.01 0.14 -0.54 120.40 131.97 2jqz s VAL 18 Ca 0.24 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 2jqz s VAL 18 Cb -0.14 -4.96 -0.13 0.00 0.00 0.00 0.00 36.38 31.15 2jqz s VAL 18 CO 0.19 -1.81 1.04 0.25 0.00 0.00 0.00 175.10 174.78 2jqz h LEU 19 N 12.18 -0.72 -7.85 3.92 6.46 -1.51 -0.11 115.31 127.67 2jqz h LEU 19 Ca 0.12 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 2jqz h LEU 19 Cb 1.02 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 41.08 2jqz h LEU 19 CO 1.33 -0.38 0.41 0.00 -0.62 0.00 0.00 178.44 179.18 2jqz s ALA 21 N -3.10 1.75 0.24 0.00 0.00 -0.65 -0.31 121.76 119.69 2jqz s ALA 21 Ca 0.14 -1.42 0.06 0.00 0.00 0.00 0.00 51.96 50.75 2jqz s ALA 21 Cb -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2jqz s ALA 21 CO 0.05 0.14 -0.08 0.15 0.00 0.00 0.00 175.76 176.03 2jqz s LYS 22 N -2.86 1.41 -1.21 0.00 -0.14 0.20 -2.96 119.74 114.18 2jqz s LYS 22 Ca 0.13 -1.68 -0.34 0.00 -1.36 0.00 0.00 55.97 52.72 2jqz s LYS 22 Cb -0.04 -1.01 0.04 0.00 -1.68 0.00 0.00 37.83 35.14 2jqz s LYS 22 CO 0.05 0.06 0.69 -1.71 -0.76 0.00 0.00 175.35 173.68 2jqz n ASN 23 N -0.46 -4.20 -4.69 2.83 4.05 -0.36 -0.03 115.26 112.40 2jqz n ASN 23 Ca -0.07 -1.29 -0.42 0.00 0.45 0.00 0.00 54.58 53.25 2jqz n ASN 23 Cb 0.62 -1.72 -0.03 0.00 1.23 0.00 0.00 39.78 39.89 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 -7.42 4.27 -0.26 1.20 2.01 -0.43 -2.02 118.68 116.04 2jqz s LEU 24 Ca 0.49 1.82 -0.33 0.00 0.01 0.00 0.00 54.13 56.12 2jqz s LEU 24 Cb -0.27 -3.56 -0.10 0.00 0.01 0.00 0.00 46.19 42.28 2jqz s LEU 24 CO 0.97 -0.60 2.13 0.55 1.01 0.00 0.00 176.35 180.41 2jqz n VAL 25 N 4.66 0.31 1.17 -1.59 3.14 -1.26 -4.69 118.33 120.07 2jqz n VAL 25 Ca 0.11 -0.28 0.04 0.00 -2.96 0.00 0.00 64.34 61.25 2jqz n VAL 25 Cb 0.46 -1.95 0.24 0.00 -1.06 0.00 0.00 33.84 31.53 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 8.00 0.58 0.00 1.45 2.85 -1.26 -4.53 118.16 125.25 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 0.30 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 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 -0.72 0.00 -3.67 -1.58 4.76 -1.26 -4.18 118.16 111.51 2jqz n LYS 27 Ca 0.06 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.14 2jqz n LYS 27 Cb 0.03 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.12 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 -4.00 6.09 0.02 4.39 1.01 -1.26 -5.02 116.67 117.90 2jqz s ASP 28 Ca 0.00 0.11 -0.05 0.00 0.71 0.00 0.00 52.55 53.32 2jqz s ASP 28 Cb 0.00 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 2jqz s ASP 28 CO 0.00 0.07 1.09 -0.26 0.21 0.00 0.00 175.17 176.28 2jqz h PHE 29 N 7.49 -0.29 0.00 4.23 0.04 -2.02 0.52 116.94 126.91 2jqz h PHE 29 Ca -0.38 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.41 2jqz h PHE 29 Cb 1.17 0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.46 2jqz h PHE 29 CO 0.66 -0.07 0.28 0.35 -0.60 0.00 0.00 178.31 178.93 2jqz h PHE 30 N -0.04 0.00 -1.46 -0.55 3.04 -1.95 -3.41 116.94 112.58 2jqz h PHE 30 Ca 0.02 0.00 -0.50 0.00 3.98 0.00 0.00 57.97 61.47 2jqz h PHE 30 Cb 0.08 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 2jqz h PHE 30 CO -0.77 0.00 -0.37 1.03 -2.02 0.00 0.00 178.31 176.18 2jqz s ARG 31 N -3.75 2.51 0.02 1.11 0.52 0.18 -5.15 118.95 114.39 2jqz s ARG 31 Ca -0.03 -1.57 -0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2jqz s ARG 31 Cb 0.07 -2.36 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 2jqz s ARG 31 CO 0.21 -0.23 -0.03 -0.51 0.02 0.00 0.00 175.30 174.76 2jqz s LEU 32 N -4.14 2.26 0.19 2.53 2.01 -1.26 -4.49 118.68 115.78 2jqz s LEU 32 Ca 0.48 -0.54 -0.06 0.00 0.01 0.00 0.00 54.13 54.01 2jqz s LEU 32 Cb -0.03 0.11 -0.06 0.00 0.01 0.00 0.00 46.19 46.22 2jqz s LEU 32 CO 0.28 -0.32 0.45 -2.16 1.01 0.00 0.00 176.35 175.60 2jqz s PRO 33 N -1.66 3.68 -0.82 1.29 0.04 -1.26 -4.76 135.00 131.51 2jqz s PRO 33 Ca -0.14 0.04 0.01 0.00 0.04 0.00 0.00 61.00 60.95 2jqz s PRO 33 Cb -0.09 -2.76 0.22 0.00 0.04 0.00 0.00 34.50 31.91 2jqz s PRO 33 CO -0.02 0.39 0.74 -0.25 0.04 0.00 0.00 177.00 177.91 2jqz n ASP 34 N -0.11 3.95 -4.76 6.66 9.92 -1.26 -2.51 116.55 128.44 2jqz n ASP 34 Ca -0.01 -3.22 -0.39 0.00 -0.53 0.00 0.00 54.79 50.63 2jqz n ASP 34 Cb 0.52 -0.92 0.03 0.00 -0.64 0.00 0.00 41.12 40.11 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 -1.67 3.41 0.31 -0.24 0.04 -1.24 -1.58 135.00 134.03 2jqz s PRO 35 Ca 0.29 2.34 -0.09 0.00 0.04 0.00 0.00 61.00 63.58 2jqz s PRO 35 Cb -0.02 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 32.07 2jqz s PRO 35 CO -0.11 -1.01 0.52 -0.59 0.04 0.00 0.00 177.00 175.85 2jqz s PHE 36 N -1.25 0.63 0.14 0.56 -0.71 -0.77 -0.27 117.98 116.30 2jqz s PHE 36 Ca 0.66 -0.98 0.06 0.00 -1.04 0.00 0.00 56.93 55.63 2jqz s PHE 36 Cb -0.42 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2jqz s PHE 36 CO 0.52 -1.14 -0.13 0.00 -1.34 0.00 0.00 175.22 173.14 2jqz s ALA 37 N -3.36 1.54 0.05 1.99 0.00 -1.15 -2.15 121.76 118.69 2jqz s ALA 37 Ca 0.25 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.85 2jqz s ALA 37 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2jqz s ALA 37 CO 0.14 0.04 -0.09 0.15 0.00 0.00 0.00 175.76 176.01 2jqz s LYS 38 N -3.07 0.59 -0.05 0.00 1.02 0.45 -0.07 119.74 118.61 2jqz s LYS 38 Ca 0.13 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.36 2jqz s LYS 38 Cb -0.02 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.89 2jqz s LYS 38 CO 0.03 0.07 -0.25 0.08 -0.92 0.00 0.00 175.35 174.36 2jqz s VAL 39 N -1.45 2.01 -0.01 3.17 1.01 0.90 -1.17 120.40 124.85 2jqz s VAL 39 Ca -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.87 2jqz s VAL 39 Cb -0.09 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2jqz s VAL 39 CO 0.01 0.56 -0.03 0.68 0.00 0.00 0.00 175.10 176.32 2jqz s VAL 40 N -0.20 0.30 -0.45 2.92 -7.23 -0.99 -2.20 120.40 112.56 2jqz s VAL 40 Ca -0.02 -0.10 -0.13 0.00 -1.81 0.00 0.00 61.98 59.91 2jqz s VAL 40 Cb -0.13 -0.30 0.07 0.00 0.56 0.00 0.00 36.38 36.57 2jqz s VAL 40 CO 0.03 0.12 0.34 -0.69 -0.31 0.00 0.00 175.10 174.59 2jqz s VAL 41 N 0.28 4.92 -0.92 1.32 1.01 -1.13 -2.56 120.40 123.31 2jqz s VAL 41 Ca -0.03 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.59 2jqz s VAL 41 Cb -0.06 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.26 2jqz s VAL 41 CO -0.00 -0.52 2.19 -0.62 0.00 0.00 0.00 175.10 176.15 2jqz s ASP 42 N 2.33 4.20 0.00 3.32 2.15 -1.14 -0.99 116.67 126.54 2jqz s ASP 42 Ca 0.04 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.50 2jqz s ASP 42 Cb -0.23 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.82 2jqz s ASP 42 CO 0.06 -3.72 0.00 0.61 -0.17 0.00 0.00 175.17 171.94 2jqz n GLY 43 N 6.59 0.98 3.51 2.66 0.00 -1.26 -4.40 105.19 113.26 2jqz n GLY 43 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 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 2.81 -0.46 1.61 0.01 -0.16 -5.06 113.70 112.44 2jqz s SER 44 Ca 0.00 -1.70 0.04 0.00 1.31 0.00 0.00 55.95 55.60 2jqz s SER 44 Cb 0.00 0.54 0.52 0.00 0.21 0.00 0.00 66.02 67.29 2jqz s SER 44 CO 0.00 -0.96 1.73 0.61 0.41 0.00 0.00 173.24 175.03 2jqz n GLY 45 N -0.92 5.38 3.57 3.44 0.00 -1.26 -4.47 105.19 110.92 2jqz n GLY 45 Ca -0.06 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.52 3.68 0.14 1.61 -0.21 -1.26 -5.02 119.66 115.08 2jqz s GLN 46 Ca 0.56 0.04 0.10 0.00 0.02 0.00 0.00 55.36 56.07 2jqz s GLN 46 Cb 0.46 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 2jqz s GLN 46 CO 0.03 -0.72 -0.23 0.00 -2.12 0.00 0.00 175.29 172.25 2jqz s HIS 48 N -1.35 0.53 -0.16 0.00 3.76 -0.93 -4.92 115.29 112.21 2jqz s HIS 48 Ca 0.13 -0.86 -0.23 0.00 -0.15 0.00 0.00 55.06 53.96 2jqz s HIS 48 Cb -0.09 -0.01 0.06 0.00 1.11 0.00 0.00 32.58 33.64 2jqz s HIS 48 CO 0.06 -0.86 0.59 -1.54 -0.85 0.00 0.00 174.74 172.14 2jqz s SER 49 N -3.03 -0.58 0.02 1.40 1.04 -1.26 -0.07 113.70 111.21 2jqz s SER 49 Ca 0.25 0.96 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 2jqz s SER 49 Cb 0.02 0.95 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 2jqz s SER 49 CO 0.08 -0.33 0.15 0.42 0.98 0.00 0.00 173.24 174.53 2jqz s THR 50 N -0.24 5.13 0.98 2.02 -4.23 0.90 -4.94 115.64 115.25 2jqz s THR 50 Ca -0.04 -0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 59.97 2jqz s THR 50 Cb -0.03 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 2jqz s THR 50 CO 0.03 0.26 0.04 0.47 -0.54 0.00 0.00 174.62 174.88 2jqz n ASP 51 N 0.79 -3.05 -4.86 3.99 9.92 -1.26 -2.92 116.55 119.16 2jqz n ASP 51 Ca -0.10 0.25 -0.36 0.00 -0.53 0.00 0.00 54.79 54.05 2jqz n ASP 51 Cb 0.52 -1.06 -0.06 0.00 -0.64 0.00 0.00 41.12 39.88 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2jqz s THR 52 N -2.28 5.13 0.05 -3.53 2.01 -1.26 -4.35 115.64 111.42 2jqz s THR 52 Ca 0.52 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 63.05 2jqz s THR 52 Cb -0.19 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2jqz s THR 52 CO 0.71 0.43 0.22 -0.69 -0.69 0.00 0.00 174.62 174.61 2jqz s VAL 53 N -1.24 5.37 -0.12 3.82 1.01 0.63 -4.99 120.40 124.88 2jqz s VAL 53 Ca 0.27 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2jqz s VAL 53 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2jqz s VAL 53 CO 0.15 0.18 0.27 -0.54 0.00 0.00 0.00 175.10 175.15 2jqz s LYS 54 N -2.38 4.01 0.00 2.72 1.02 -1.26 -3.61 119.74 120.24 2jqz s LYS 54 Ca 0.34 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.41 2jqz s LYS 54 Cb -0.13 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 2jqz s LYS 54 CO 0.25 0.45 0.00 0.27 -0.92 0.00 0.00 175.35 175.40 2jqz n ASN 55 N 2.87 0.00 -3.71 2.83 2.04 -1.19 -4.94 115.26 113.16 2jqz n ASN 55 Ca -0.14 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 53.87 2jqz n ASN 55 Cb 0.53 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.71 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2jqz s THR 56 N 0.00 0.06 -1.25 5.53 -1.32 -1.05 -4.93 115.64 112.68 2jqz s THR 56 Ca 0.00 -0.53 0.14 0.00 -1.21 0.00 0.00 61.69 60.09 2jqz s THR 56 Cb 0.00 -0.89 0.39 0.00 -1.51 0.00 0.00 72.50 70.50 2jqz s THR 56 CO 0.00 -0.29 1.32 0.18 -2.21 0.00 0.00 174.62 173.62 2jqz n LEU 57 N 0.69 3.19 -2.76 9.08 4.77 -1.26 -4.54 117.00 126.17 2jqz n LEU 57 Ca -0.19 -1.96 -0.04 0.00 -0.03 0.00 0.00 56.01 53.79 2jqz n LEU 57 Cb 0.59 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2jqz n LEU 57 CO 0.21 0.79 0.13 1.51 -1.33 0.00 0.00 177.39 178.70 2jqz s ASP 58 N -1.01 -1.42 0.84 -1.43 -4.77 -1.26 -1.23 116.67 106.39 2jqz s ASP 58 Ca 0.30 -1.70 -0.07 0.00 -3.30 0.00 0.00 52.55 47.78 2jqz s ASP 58 Cb 0.16 1.86 0.14 0.00 -1.09 0.00 0.00 42.92 43.99 2jqz s ASP 58 CO 0.21 -0.05 0.90 -0.81 0.70 0.00 0.00 175.17 176.12 2jqz n PRO 59 N 2.94 -0.50 -3.69 2.11 -0.04 -1.15 -4.87 135.00 129.79 2jqz n PRO 59 Ca 0.18 -1.82 -0.10 0.00 -0.04 0.00 0.00 63.50 61.72 2jqz n PRO 59 Cb 0.56 -0.80 -0.05 0.00 -0.04 0.00 0.00 33.50 33.17 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 -4.88 1.01 0.00 0.54 0.00 -1.26 -1.64 119.74 113.51 2jqz s LYS 60 Ca 0.55 -0.75 0.00 0.00 0.00 0.00 0.00 55.97 55.76 2jqz s LYS 60 Cb -0.02 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.24 2jqz s LYS 60 CO 0.37 -0.38 0.00 0.91 0.00 0.00 0.00 175.35 176.26 2jqz n TRP 61 N -0.15 0.00 -4.42 1.78 8.01 -0.97 -4.90 117.44 116.79 2jqz n TRP 61 Ca -0.16 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.63 2jqz n TRP 61 Cb 0.63 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.87 2jqz n TRP 61 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2jqz n ASN 62 N -0.38 -2.12 -4.37 -0.99 5.15 -0.08 -4.92 115.26 107.56 2jqz n ASN 62 Ca 0.00 -1.15 -0.31 0.00 -0.60 0.00 0.00 54.58 52.52 2jqz n ASN 62 Cb 0.00 -1.82 -0.15 0.00 -0.53 0.00 0.00 39.78 37.28 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2jqz s GLN 63 N -7.12 2.21 0.03 1.20 -0.21 -1.08 -4.92 119.66 109.77 2jqz s GLN 63 Ca 0.80 -0.87 0.06 0.00 0.02 0.00 0.00 55.36 55.37 2jqz s GLN 63 Cb -0.46 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.39 2jqz s GLN 63 CO 0.98 0.58 -0.18 -3.38 -2.12 0.00 0.00 175.29 171.16 2jqz s HIS 64 N -0.66 1.58 -0.03 0.91 -3.43 -1.26 0.23 115.29 112.62 2jqz s HIS 64 Ca 0.11 -0.35 0.06 0.00 -0.80 0.00 0.00 55.06 54.08 2jqz s HIS 64 Cb -0.10 -0.96 -0.01 0.00 -1.43 0.00 0.00 32.58 30.08 2jqz s HIS 64 CO -0.00 0.05 -0.22 0.71 -2.00 0.00 0.00 174.74 173.28 2jqz s TYR 65 N -0.72 2.05 -0.26 0.38 2.02 -0.98 -4.90 117.35 114.94 2jqz s TYR 65 Ca 0.06 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 56.13 2jqz s TYR 65 Cb -0.08 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2jqz s TYR 65 CO 0.01 -0.11 0.31 -0.51 -1.57 0.00 0.00 175.55 173.68 2jqz s ASP 66 N -0.32 6.20 0.01 2.29 1.01 -1.26 -1.88 116.67 122.72 2jqz s ASP 66 Ca 0.03 0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.54 2jqz s ASP 66 Cb -0.10 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 2jqz s ASP 66 CO 0.01 -0.11 -0.10 -0.76 0.21 0.00 0.00 175.17 174.41 2jqz s LEU 67 N 1.81 2.07 0.35 1.23 1.43 -0.78 -4.94 118.68 119.85 2jqz s LEU 67 Ca 0.13 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.72 2jqz s LEU 67 Cb -0.16 -0.49 -0.10 0.00 0.03 0.00 0.00 46.19 45.47 2jqz s LEU 67 CO 0.09 0.08 0.95 -0.31 0.23 0.00 0.00 176.35 177.39 2jqz s TYR 68 N -0.44 3.58 -0.23 0.29 2.02 -1.25 -2.37 117.35 118.96 2jqz s TYR 68 Ca 0.02 1.74 0.01 0.00 -0.37 0.00 0.00 57.07 58.47 2jqz s TYR 68 Cb -0.05 -2.90 0.05 0.00 -0.40 0.00 0.00 41.96 38.66 2jqz s TYR 68 CO 0.00 0.12 -0.09 0.42 -1.57 0.00 0.00 175.55 174.43 2jqz s ILE 69 N -1.77 1.71 -0.03 2.71 -1.09 -0.14 -4.86 121.20 117.73 2jqz s ILE 69 Ca 0.53 -1.23 0.06 0.00 -2.23 0.00 0.00 60.65 57.79 2jqz s ILE 69 Cb -0.16 -1.87 -0.02 0.00 -1.58 0.00 0.00 42.46 38.83 2jqz s ILE 69 CO 0.21 0.02 -0.21 -0.83 -1.23 0.00 0.00 174.94 172.91 2jqz s GLY 70 N 1.33 1.40 0.00 6.18 0.00 -1.26 -2.06 107.32 112.90 2jqz s GLY 70 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2jqz s GLY 70 CO -0.07 -0.86 0.00 1.17 0.00 0.00 0.00 173.10 173.34 2jqz n LYS 71 N 2.35 0.00 -2.61 2.90 3.00 -1.26 -0.71 118.16 121.83 2jqz n LYS 71 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.02 2jqz n LYS 71 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.57 2jqz n LYS 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jqz n SER 72 N 1.60 2.38 -4.87 3.14 2.88 -1.26 -5.06 113.62 112.42 2jqz n SER 72 Ca 0.00 -2.91 -0.31 0.00 -1.33 0.00 0.00 58.87 54.32 2jqz n SER 72 Cb 0.00 -0.50 0.02 0.00 -0.75 0.00 0.00 64.21 62.98 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 -3.32 6.05 -0.05 -3.46 2.15 0.11 -4.86 116.67 113.30 2jqz s ASP 73 Ca 0.33 1.37 -0.13 0.00 0.43 0.00 0.00 52.55 54.55 2jqz s ASP 73 Cb 0.43 -2.36 0.02 0.00 -0.30 0.00 0.00 42.92 40.71 2jqz s ASP 73 CO -0.02 -0.98 0.29 -0.55 -0.17 0.00 0.00 175.17 173.74 2jqz s SER 74 N -4.21 -0.21 0.00 -0.34 0.15 -1.26 -2.93 113.70 104.91 2jqz s SER 74 Ca 0.56 0.24 0.07 0.00 0.70 0.00 0.00 55.95 57.52 2jqz s SER 74 Cb -0.11 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 2jqz s SER 74 CO 0.54 -0.32 -0.23 -0.69 1.20 0.00 0.00 173.24 173.73 2jqz s VAL 75 N -0.83 2.37 -0.15 4.45 1.01 -0.88 -2.87 120.40 123.50 2jqz s VAL 75 Ca -0.09 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 2jqz s VAL 75 Cb -0.04 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.47 2jqz s VAL 75 CO 0.03 0.48 -0.06 -0.89 0.00 0.00 0.00 175.10 174.66 2jqz s THR 76 N -0.74 1.09 -0.27 3.92 2.01 -1.06 -2.13 115.64 118.46 2jqz s THR 76 Ca 0.12 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 2jqz s THR 76 Cb -0.10 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 2jqz s THR 76 CO 0.01 0.18 0.21 -0.63 -0.69 0.00 0.00 174.62 173.69 2jqz s ILE 77 N 1.65 5.30 0.21 1.82 1.01 -0.36 -2.35 121.20 128.48 2jqz s ILE 77 Ca 0.02 0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.97 2jqz s ILE 77 Cb -0.15 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2jqz s ILE 77 CO -0.08 0.26 -0.01 -0.94 0.00 0.00 0.00 174.94 174.17 2jqz s SER 78 N 1.61 4.64 -0.11 3.58 1.04 -0.31 -0.04 113.70 124.10 2jqz s SER 78 Ca 0.08 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 56.03 2jqz s SER 78 Cb -0.16 -0.93 0.01 0.00 0.10 0.00 0.00 66.02 65.05 2jqz s SER 78 CO 0.10 0.06 -0.17 -0.69 0.98 0.00 0.00 173.24 173.52 2jqz s VAL 79 N -1.92 1.60 0.14 5.02 1.01 0.48 -0.41 120.40 126.32 2jqz s VAL 79 Ca 0.28 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.66 2jqz s VAL 79 Cb -0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2jqz s VAL 79 CO 0.19 0.46 -0.24 0.26 0.00 0.00 0.00 175.10 175.76 2jqz s TRP 80 N 0.92 2.13 -0.71 5.22 0.52 -0.91 -1.63 118.94 124.47 2jqz s TRP 80 Ca -0.07 -0.39 -0.21 0.00 0.02 0.00 0.00 56.10 55.44 2jqz s TRP 80 Cb -0.15 -1.13 0.09 0.00 -1.15 0.00 0.00 33.47 31.13 2jqz s TRP 80 CO -0.01 0.33 0.95 1.21 0.02 0.00 0.00 176.95 179.45 2jqz s ASN 81 N -2.16 6.29 0.34 2.95 3.04 0.11 -1.85 114.94 123.65 2jqz s ASN 81 Ca 0.13 -1.35 0.13 0.00 0.04 0.00 0.00 52.86 51.82 2jqz s ASN 81 Cb -0.09 -2.39 1.09 0.00 -1.54 0.00 0.00 41.25 38.32 2jqz s ASN 81 CO 0.06 -1.28 1.61 -0.74 -3.04 0.00 0.00 177.10 173.71 2jqz h HIS 82 N 9.30 0.65 -0.12 0.43 -0.00 -1.56 0.45 115.15 124.29 2jqz h HIS 82 Ca -0.18 0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.26 2jqz h HIS 82 Cb 1.06 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.33 2jqz h HIS 82 CO 0.99 -0.35 0.01 0.87 -0.00 0.00 0.00 177.93 179.45 2jqz h LYS 83 N 0.12 0.05 0.00 5.26 1.79 -1.91 -2.79 116.57 119.09 2jqz h LYS 83 Ca 0.74 -0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 59.05 2jqz h LYS 83 Cb 1.76 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.38 2jqz h LYS 83 CO -0.73 0.03 -0.73 0.87 -1.08 0.00 0.00 179.45 177.81 2jqz h LYS 84 N 0.05 0.00 -0.20 3.15 1.79 -0.63 -2.48 116.57 118.25 2jqz h LYS 84 Ca 0.06 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.58 2jqz h LYS 84 Cb 0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2jqz h LYS 84 CO -0.09 0.73 0.15 -0.84 -1.08 0.00 0.00 179.45 178.32 2jqz h ILE 85 N 0.00 0.86 0.04 1.86 3.07 -0.23 0.73 117.51 123.85 2jqz h ILE 85 Ca -0.01 0.00 -0.24 0.00 1.55 0.00 0.00 64.86 66.16 2jqz h ILE 85 Cb 1.56 0.89 -0.02 0.00 -0.27 0.00 0.00 36.82 38.99 2jqz h ILE 85 CO 0.10 0.00 -1.19 -0.74 -1.05 0.00 0.00 178.15 175.27 2jqz h HIS 86 N 0.00 0.17 -0.70 0.16 2.76 -1.41 -3.24 115.15 112.89 2jqz h HIS 86 Ca 0.10 -0.12 0.14 0.00 -2.20 0.00 0.00 60.37 58.29 2jqz h HIS 86 Cb 0.39 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 2jqz h HIS 86 CO 0.00 1.11 0.47 -0.22 -1.30 0.00 0.00 177.93 177.99 2jqz h LYS 87 N 0.02 0.34 -2.78 5.26 1.63 0.88 -3.48 116.57 118.45 2jqz h LYS 87 Ca -0.09 -0.02 0.30 0.00 -0.85 0.00 0.00 60.65 59.99 2jqz h LYS 87 Cb 1.87 -0.08 -0.12 0.00 -0.60 0.00 0.00 32.23 33.30 2jqz h LYS 87 CO 0.15 0.23 -0.78 1.17 -3.45 0.00 0.00 179.45 176.76 2jqz n LYS 88 N -4.46 -2.59 -2.55 1.90 3.00 -0.29 -4.92 118.16 108.24 2jqz n LYS 88 Ca 0.13 1.96 -0.04 0.00 -0.00 0.00 0.00 58.31 60.36 2jqz n LYS 88 Cb 0.52 -3.09 0.02 0.00 0.00 0.00 0.00 35.03 32.48 2jqz n LYS 88 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2jqz n GLN 89 N -3.98 -1.08 0.00 1.64 -0.06 -1.26 -3.61 117.38 109.02 2jqz n GLN 89 Ca -0.04 0.92 0.00 0.00 -2.00 0.00 0.00 57.00 55.88 2jqz n GLN 89 Cb 0.55 -4.27 0.00 0.00 -4.06 0.00 0.00 30.24 22.47 2jqz n GLN 89 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jqz n GLY 90 N -1.43 1.34 3.69 1.69 0.00 -1.26 -4.95 105.19 104.27 2jqz n GLY 90 Ca -0.02 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 2jqz n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqz n ALA 91 N 0.00 1.92 0.00 4.61 0.00 -1.24 -3.99 120.51 121.81 2jqz n ALA 91 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2jqz n ALA 91 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.02 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 3.66 0.53 3.89 0.00 0.00 -1.23 -3.52 105.19 108.51 2jqz n GLY 92 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 3.53 0.04 1.61 5.36 -1.26 0.04 117.98 127.30 2jqz s PHE 93 Ca 0.00 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 56.60 2jqz s PHE 93 Cb 0.00 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 2jqz s PHE 93 CO 0.00 0.50 0.00 1.28 -1.46 0.00 0.00 175.22 175.54 2jqz n LEU 94 N 0.54 0.13 -3.25 6.12 4.77 -0.65 -4.51 117.00 120.16 2jqz n LEU 94 Ca -0.06 0.07 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2jqz n LEU 94 Cb 0.52 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2jqz n LEU 94 CO 0.45 -0.35 0.97 -0.83 -1.33 0.00 0.00 177.39 176.30 2jqz s GLY 95 N -4.87 0.42 -0.23 -0.72 0.00 -0.71 -4.32 107.32 96.89 2jqz s GLY 95 Ca 0.00 3.78 -0.09 0.00 0.00 0.00 0.00 44.72 48.41 2jqz s GLY 95 CO 0.00 3.29 0.11 0.00 0.00 0.00 0.00 173.10 176.49 2jqz s VAL 97 N 1.04 4.81 -0.05 0.00 0.11 0.94 -4.62 120.40 122.63 2jqz s VAL 97 Ca 0.05 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2jqz s VAL 97 Cb -0.14 -3.07 0.02 0.00 -1.53 0.00 0.00 36.38 31.66 2jqz s VAL 97 CO 0.04 0.59 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.76 2jqz s ARG 98 N -0.73 0.80 -0.07 1.54 3.52 -1.26 -1.22 118.95 121.52 2jqz s ARG 98 Ca 0.12 -0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.68 2jqz s ARG 98 Cb -0.12 -0.87 0.01 0.00 -1.56 0.00 0.00 34.95 32.41 2jqz s ARG 98 CO 0.03 -0.12 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.71 2jqz s LEU 99 N 1.11 1.84 0.00 -0.88 2.01 -0.91 -5.04 118.68 116.81 2jqz s LEU 99 Ca -0.08 -0.39 0.00 0.00 0.01 0.00 0.00 54.13 53.67 2jqz s LEU 99 Cb -0.14 -1.03 0.00 0.00 0.01 0.00 0.00 46.19 45.03 2jqz s LEU 99 CO -0.01 0.10 0.00 0.18 1.01 0.00 0.00 176.35 177.63 2jqz n LEU 100 N 3.55 0.00 -0.08 1.79 4.77 -1.26 -2.07 117.00 123.70 2jqz n LEU 100 Ca -0.21 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 2jqz n LEU 100 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2jqz n LEU 100 CO 0.26 -0.38 0.82 0.28 -1.33 0.00 0.00 177.39 177.04 2jqz h SER 101 N 0.00 0.39 -0.22 -1.43 0.02 -1.86 0.17 113.55 110.61 2jqz h SER 101 Ca 0.00 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2jqz h SER 101 Cb 0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2jqz h SER 101 CO 0.00 0.53 0.09 0.78 -1.14 0.00 0.00 176.83 177.09 2jqz h ASN 102 N 0.23 0.31 -0.66 3.07 4.21 -1.95 -2.36 115.58 118.43 2jqz h ASN 102 Ca 0.08 -0.17 -0.04 0.00 1.21 0.00 0.00 56.30 57.37 2jqz h ASN 102 Cb 0.30 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 2jqz h ASN 102 CO 0.00 0.40 0.24 0.00 -1.29 0.00 0.00 177.43 176.78 2jqz h ALA 103 N 0.92 0.86 -0.71 -0.83 0.00 -1.92 -2.69 119.26 114.89 2jqz h ALA 103 Ca 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jqz h ALA 103 Cb 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2jqz h ALA 103 CO -0.01 0.50 0.47 0.82 0.00 0.00 0.00 179.25 181.04 2jqz h ILE 104 N 0.95 1.11 0.31 0.00 2.04 -0.45 0.24 117.51 121.70 2jqz h ILE 104 Ca 0.22 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2jqz h ILE 104 Cb 0.24 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2jqz h ILE 104 CO -0.01 0.16 -0.15 0.78 0.00 0.00 0.00 178.15 178.93 2jqz h ASN 105 N 0.86 -0.35 -0.95 1.72 4.21 -1.14 0.33 115.58 120.27 2jqz h ASN 105 Ca 0.28 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.61 2jqz h ASN 105 Cb 0.06 0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.30 2jqz h ASN 105 CO -0.08 0.10 0.58 0.03 -1.29 0.00 0.00 177.43 176.77 2jqz h ARG 106 N -0.92 1.28 -0.03 0.81 3.08 -1.32 -2.53 114.38 114.74 2jqz h ARG 106 Ca -0.04 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.68 2jqz h ARG 106 Cb 0.51 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2jqz h ARG 106 CO 0.07 0.89 -0.88 -0.07 -1.07 0.00 0.00 179.97 178.92 2jqz h LEU 107 N 1.31 0.58 -1.84 3.04 3.38 -0.59 -2.75 115.31 118.43 2jqz h LEU 107 Ca 0.34 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.97 2jqz h LEU 107 Cb -0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2jqz h LEU 107 CO -0.06 1.21 0.29 0.07 0.09 0.00 0.00 178.44 180.04 2jqz h LYS 108 N 0.28 0.18 0.04 1.13 5.09 0.10 -1.26 116.57 122.12 2jqz h LYS 108 Ca -0.07 -0.01 -0.29 0.00 0.09 0.00 0.00 60.65 60.37 2jqz h LYS 108 Cb 1.50 -0.04 -0.04 0.00 0.10 0.00 0.00 32.23 33.75 2jqz h LYS 108 CO 0.15 0.12 -1.62 0.38 -2.09 0.00 0.00 179.45 176.39 2jqz h ASP 109 N 0.18 0.12 0.11 7.07 3.04 -1.51 -3.06 116.42 122.38 2jqz h ASP 109 Ca 0.20 -0.22 -0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2jqz h ASP 109 Cb 0.53 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.78 2jqz h ASP 109 CO -0.03 1.20 -0.10 0.71 -2.04 0.00 0.00 179.24 178.98 2jqz h THR 110 N 0.02 0.00 0.00 1.15 1.35 -0.93 -3.48 112.91 111.02 2jqz h THR 110 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2jqz h THR 110 Cb 1.98 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2jqz h THR 110 CO 0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 2jqz n GLY 111 N -1.11 1.18 0.00 5.82 0.00 -0.93 -4.95 105.19 105.19 2jqz n GLY 111 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jqz n GLY 111 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jqz n TYR 112 N -1.81 0.00 -3.98 1.61 4.01 -1.25 -4.37 117.16 111.37 2jqz n TYR 112 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 2jqz n TYR 112 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 2jqz n TYR 112 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2jqz s GLN 113 N 0.00 3.75 -0.54 -0.72 1.11 0.85 -4.93 119.66 119.18 2jqz s GLN 113 Ca 0.00 -0.45 -0.11 0.00 0.01 0.00 0.00 55.36 54.81 2jqz s GLN 113 Cb 0.00 -3.19 0.14 0.00 -1.01 0.00 0.00 33.01 28.94 2jqz s GLN 113 CO 0.00 0.04 0.43 1.03 0.01 0.00 0.00 175.29 176.81 2jqz s ARG 114 N 0.97 2.72 -0.10 2.91 0.52 -1.26 -0.77 118.95 123.94 2jqz s ARG 114 Ca 0.03 -1.88 -0.05 0.00 -0.52 0.00 0.00 55.73 53.31 2jqz s ARG 114 Cb -0.14 -4.05 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 2jqz s ARG 114 CO 0.02 -1.24 0.09 -0.51 0.02 0.00 0.00 175.30 173.69 2jqz s LEU 115 N 1.19 4.09 -0.12 2.53 1.02 -0.13 -4.91 118.68 122.36 2jqz s LEU 115 Ca 0.07 0.34 -0.30 0.00 0.02 0.00 0.00 54.13 54.27 2jqz s LEU 115 Cb -0.25 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 43.93 2jqz s LEU 115 CO -0.01 0.39 1.09 -1.81 0.02 0.00 0.00 176.35 176.02 2jqz s ASP 116 N -1.05 7.14 -0.71 2.29 1.01 -1.26 -0.12 116.67 123.97 2jqz s ASP 116 Ca 0.15 1.60 -0.27 0.00 0.71 0.00 0.00 52.55 54.74 2jqz s ASP 116 Cb -0.12 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.29 2jqz s ASP 116 CO 0.04 -0.55 1.30 -0.76 0.21 0.00 0.00 175.17 175.41 2jqz s LEU 117 N 2.38 3.21 0.31 1.23 1.43 0.13 -4.85 118.68 122.52 2jqz s LEU 117 Ca 0.50 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2jqz s LEU 117 Cb -0.20 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 2jqz s LEU 117 CO 0.17 -1.81 0.10 0.00 0.23 0.00 0.00 176.35 175.03 2jqz n LYS 119 N -0.63 -0.75 -0.05 0.00 -0.00 -1.26 -3.61 118.16 111.86 2jqz n LYS 119 Ca -0.02 -0.17 0.05 0.00 -0.00 0.00 0.00 58.31 58.17 2jqz n LYS 119 Cb 0.66 -2.14 0.41 0.00 -0.00 0.00 0.00 35.03 33.95 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 -1.91 0.52-10.76 -5.58 -0.00 -1.98 -3.44 115.31 92.16 2jqz h LEU 120 Ca -0.46 -0.01 -0.46 0.00 -0.00 0.00 0.00 57.88 56.95 2jqz h LEU 120 Cb 1.29 -0.13 0.11 0.00 -0.00 0.00 0.00 40.66 41.94 2jqz h LEU 120 CO 0.40 0.37 0.23 -0.83 -0.00 0.00 0.00 178.44 178.60 2jqz s GLY 121 N -3.65 1.77 -0.17 0.83 0.00 -1.26 -5.06 107.32 99.78 2jqz s GLY 121 Ca -0.09 -1.55 -0.16 0.00 0.00 0.00 0.00 44.72 42.92 2jqz s GLY 121 CO 0.74 -0.90 0.16 -0.56 0.00 0.00 0.00 173.10 172.54 2jqz h PRO 122 N -0.96 0.00 0.00 2.90 0.13 -2.02 -3.42 132.00 128.63 2jqz h PRO 122 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jqz h PRO 122 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jqz h PRO 122 CO 0.39 0.58 -0.11 0.27 -0.23 0.00 0.00 178.00 178.90 2jqz n ASN 123 N -4.56 1.45 -4.76 1.44 0.23 -1.26 -5.04 115.26 102.75 2jqz n ASN 123 Ca -0.18 -2.33 -0.41 0.00 -0.53 0.00 0.00 54.58 51.13 2jqz n ASN 123 Cb 0.45 -0.23 -0.01 0.00 -2.08 0.00 0.00 39.78 37.91 2jqz n ASN 123 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jqz s ASP 124 N -1.66 6.46 -0.77 0.53 2.15 -1.26 -4.85 116.67 117.27 2jqz s ASP 124 Ca 0.13 2.91 -0.26 0.00 0.43 0.00 0.00 52.55 55.77 2jqz s ASP 124 Cb 0.12 -2.65 -0.09 0.00 -0.30 0.00 0.00 42.92 40.00 2jqz s ASP 124 CO 0.01 -0.81 2.21 0.20 -0.17 0.00 0.00 175.17 176.61 2jqz s ASN 125 N 0.07 4.49 0.03 -0.34 -0.87 -1.26 -4.88 114.94 112.18 2jqz s ASN 125 Ca 0.56 -0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.82 2jqz s ASN 125 Cb -0.45 -2.54 -0.00 0.00 -0.02 0.00 0.00 41.25 38.23 2jqz s ASN 125 CO 0.54 -3.25 0.00 0.47 -2.57 0.00 0.00 177.10 172.29 2jqz n ASP 126 N 16.28 1.95 -2.69 -1.22 8.00 -1.26 -5.07 116.55 132.54 2jqz n ASP 126 Ca 0.41 -1.15 -0.25 0.00 0.71 0.00 0.00 54.79 54.51 2jqz n ASP 126 Cb 0.47 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2jqz n THR 127 N -0.08 2.36 -3.83 -3.53 -2.24 -1.26 -5.06 114.28 100.64 2jqz n THR 127 Ca -0.01 -4.98 -0.22 0.00 -2.27 0.00 0.00 64.05 56.56 2jqz n THR 127 Cb 0.04 -1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 67.12 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 -4.82 2.78 0.00 2.28 0.11 -1.26 -4.83 120.40 114.66 2jqz s VAL 128 Ca 0.46 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 2jqz s VAL 128 Cb 0.36 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.19 2jqz s VAL 128 CO -0.15 -0.06 0.00 -1.14 -3.33 0.00 0.00 175.10 170.42 2jqz n ARG 129 N -1.37 0.00 -2.58 1.54 0.63 -1.25 -4.96 116.66 108.66 2jqz n ARG 129 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 2jqz n ARG 129 Cb 0.62 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.63 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 1.76 0.29 5.14 0.00 -0.65 -4.69 107.32 109.17 2jqz s GLY 130 Ca 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 44.72 43.03 2jqz s GLY 130 CO 0.00 -1.14 0.33 1.20 0.00 0.00 0.00 173.10 173.49 2jqz s GLN 131 N -5.13 1.64 -0.27 2.90 1.11 0.95 0.20 119.66 121.06 2jqz s GLN 131 Ca 0.66 -1.73 -0.24 0.00 0.01 0.00 0.00 55.36 54.05 2jqz s GLN 131 Cb -0.06 0.37 0.08 0.00 -1.01 0.00 0.00 33.01 32.39 2jqz s GLN 131 CO 0.44 -0.63 0.75 -1.50 0.01 0.00 0.00 175.29 174.36 2jqz s ILE 132 N -3.57 0.00 -0.27 1.08 2.07 0.82 -0.62 121.20 120.71 2jqz s ILE 132 Ca 0.35 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.54 2jqz s ILE 132 Cb 0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.62 2jqz s ILE 132 CO 0.19 0.00 0.02 -0.69 -1.91 0.00 0.00 174.94 172.55 2jqz s VAL 133 N 0.51 3.60 0.48 4.00 1.01 0.58 -0.96 120.40 129.63 2jqz s VAL 133 Ca -0.01 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2jqz s VAL 133 Cb -0.05 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2jqz s VAL 133 CO -0.02 0.19 0.04 0.68 0.00 0.00 0.00 175.10 175.98 2jqz s VAL 134 N 1.46 1.01 -0.05 2.92 -7.23 0.05 -1.44 120.40 117.12 2jqz s VAL 134 Ca 0.03 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2jqz s VAL 134 Cb -0.16 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2jqz s VAL 134 CO -0.00 0.00 0.08 -0.94 -0.31 0.00 0.00 175.10 173.93 2jqz s SER 135 N -3.80 0.42 -0.32 4.85 1.04 0.30 -0.11 113.70 116.09 2jqz s SER 135 Ca 0.11 0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.59 2jqz s SER 135 Cb 0.02 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 2jqz s SER 135 CO 0.06 -0.18 0.17 -0.76 0.98 0.00 0.00 173.24 173.51 2jqz s LEU 136 N 1.58 4.21 -0.07 2.42 2.01 -1.26 -0.95 118.68 126.63 2jqz s LEU 136 Ca -0.03 -0.51 -0.03 0.00 0.01 0.00 0.00 54.13 53.57 2jqz s LEU 136 Cb -0.12 -2.03 0.04 0.00 0.01 0.00 0.00 46.19 44.09 2jqz s LEU 136 CO -0.04 -0.21 0.16 -1.58 1.01 0.00 0.00 176.35 175.69 2jqz s GLN 137 N 1.64 0.10 0.09 1.70 0.74 -1.09 -2.56 119.66 120.28 2jqz s GLN 137 Ca 0.05 0.39 -0.31 0.00 0.05 0.00 0.00 55.36 55.54 2jqz s GLN 137 Cb -0.17 -0.18 -0.10 0.00 1.10 0.00 0.00 33.01 33.66 2jqz s GLN 137 CO 0.07 -0.17 1.89 -1.54 -0.55 0.00 0.00 175.29 174.99 2jqz s SER 138 N 1.18 6.43 0.37 6.67 1.04 -1.22 -2.21 113.70 125.95 2jqz s SER 138 Ca -0.09 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.08 2jqz s SER 138 Cb -0.11 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 2jqz s SER 138 CO -0.06 -1.03 0.58 -0.60 0.98 0.00 0.00 173.24 173.11 2jqz s ARG 139 N 3.38 3.42 0.00 4.02 3.00 0.12 -4.86 118.95 128.04 2jqz s ARG 139 Ca 0.84 -0.34 0.00 0.00 -1.00 0.00 0.00 55.73 55.23 2jqz s ARG 139 Cb -0.45 -2.63 0.00 0.00 0.00 0.00 0.00 34.95 31.87 2jqz s ARG 139 CO 0.38 0.06 0.00 -3.47 0.00 0.00 0.00 175.30 172.27