#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 3.38 -0.16 1.61 0.02 -1.26 -4.98 135.00 133.61 2jqz s PRO 11 Ca 0.00 1.55 -0.17 0.00 0.02 0.00 0.00 61.00 62.40 2jqz s PRO 11 Cb 0.00 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 2jqz s PRO 11 CO 0.00 -0.82 0.45 0.14 -0.33 0.00 0.00 177.00 176.44 2jqz s VAL 12 N -1.85 5.19 -0.24 3.83 -7.23 0.81 -4.77 120.40 116.14 2jqz s VAL 12 Ca 0.71 0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 61.50 2jqz s VAL 12 Cb -0.22 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 32.92 2jqz s VAL 12 CO 0.27 0.29 0.78 -0.75 -0.31 0.00 0.00 175.10 175.37 2jqz s LYS 13 N 0.96 4.18 0.00 4.82 2.20 -1.26 -0.34 119.74 130.31 2jqz s LYS 13 Ca 0.23 0.85 0.07 0.00 -0.36 0.00 0.00 55.97 56.76 2jqz s LYS 13 Cb -0.15 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2jqz s LYS 13 CO 0.09 -0.46 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.22 2jqz s LEU 14 N 2.66 2.08 -0.20 5.43 1.98 -0.39 -2.65 118.68 127.59 2jqz s LEU 14 Ca 0.33 -0.45 -0.02 0.00 -2.89 0.00 0.00 54.13 51.10 2jqz s LEU 14 Cb -0.15 -1.14 -0.00 0.00 0.66 0.00 0.00 46.19 45.55 2jqz s LEU 14 CO 0.08 0.25 -0.09 0.00 -1.89 0.00 0.00 176.35 174.71 2jqz s ARG 15 N -0.72 3.31 -0.42 1.98 1.70 -1.04 -1.49 118.95 122.28 2jqz s ARG 15 Ca 0.09 -0.67 -0.16 0.00 -0.47 0.00 0.00 55.73 54.52 2jqz s ARG 15 Cb -0.09 -2.87 0.02 0.00 -0.57 0.00 0.00 34.95 31.45 2jqz s ARG 15 CO -0.00 -0.13 0.36 -1.17 -1.08 0.00 0.00 175.30 173.27 2jqz s LEU 16 N 1.26 5.02 -0.46 -1.89 0.20 -0.79 -2.71 118.68 119.31 2jqz s LEU 16 Ca 0.03 -0.82 -0.21 0.00 0.69 0.00 0.00 54.13 53.82 2jqz s LEU 16 Cb -0.14 -2.25 0.03 0.00 -0.43 0.00 0.00 46.19 43.40 2jqz s LEU 16 CO -0.04 -0.51 0.68 -0.89 -0.29 0.00 0.00 176.35 175.31 2jqz s THR 17 N 1.86 4.77 -0.94 3.68 2.01 0.10 -2.61 115.64 124.53 2jqz s THR 17 Ca 0.08 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 2jqz s THR 17 Cb -0.18 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.08 2jqz s THR 17 CO 0.11 -0.69 1.60 0.54 -0.69 0.00 0.00 174.62 175.49 2jqz s VAL 18 N 2.95 3.74 -0.01 3.82 0.11 0.50 -0.64 120.40 130.86 2jqz s VAL 18 Ca 0.23 -0.48 -0.20 0.00 -2.93 0.00 0.00 61.98 58.60 2jqz s VAL 18 Cb -0.14 -4.69 -0.11 0.00 -1.53 0.00 0.00 36.38 29.90 2jqz s VAL 18 CO 0.18 -1.60 0.84 0.25 -3.33 0.00 0.00 175.10 171.45 2jqz h LEU 19 N 14.45 -0.62 -7.89 2.54 5.85 -1.47 0.49 115.31 128.67 2jqz h LEU 19 Ca 0.10 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.94 2jqz h LEU 19 Cb 1.02 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2jqz h LEU 19 CO 1.34 -0.21 0.37 0.00 -0.34 0.00 0.00 178.44 179.61 2jqz s ALA 21 N -3.09 1.94 0.21 0.00 0.00 -0.78 0.42 121.76 120.47 2jqz s ALA 21 Ca 0.14 -1.57 0.06 0.00 0.00 0.00 0.00 51.96 50.59 2jqz s ALA 21 Cb -0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2jqz s ALA 21 CO 0.06 0.11 -0.08 0.15 0.00 0.00 0.00 175.76 176.00 2jqz s LYS 22 N -3.30 1.30 -0.70 0.00 -0.14 -0.00 -3.53 119.74 113.37 2jqz s LYS 22 Ca 0.19 -1.61 -0.14 0.00 -1.36 0.00 0.00 55.97 53.05 2jqz s LYS 22 Cb -0.03 -0.88 0.02 0.00 -1.68 0.00 0.00 37.83 35.27 2jqz s LYS 22 CO 0.06 0.06 0.62 -1.71 -0.76 0.00 0.00 175.35 173.63 2jqz n ASN 23 N -0.38 -5.06 -4.64 2.83 4.05 -1.14 -0.74 115.26 110.18 2jqz n ASN 23 Ca -0.07 -0.70 -0.43 0.00 0.45 0.00 0.00 54.58 53.83 2jqz n ASN 23 Cb 0.62 -1.65 -0.02 0.00 1.23 0.00 0.00 39.78 39.96 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 -4.11 3.95 -0.18 1.20 1.98 -0.07 -3.15 118.68 118.30 2jqz s LEU 24 Ca 0.13 1.16 -0.29 0.00 -2.89 0.00 0.00 54.13 52.24 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 0.89 -0.90 2.17 0.55 -1.89 0.00 0.00 176.35 177.16 2jqz n VAL 25 N 5.87 0.41 0.04 1.68 3.14 -0.97 -4.71 118.33 123.79 2jqz n VAL 25 Ca 0.13 -0.38 0.03 0.00 -2.96 0.00 0.00 64.34 61.16 2jqz n VAL 25 Cb 0.47 -2.42 0.14 0.00 -1.06 0.00 0.00 33.84 30.97 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 8.42 0.03 0.00 1.45 2.85 -1.26 -4.59 118.16 125.07 2jqz n LYS 26 Ca 0.29 0.50 0.00 0.00 -1.05 0.00 0.00 58.31 58.05 2jqz n LYS 26 Cb 0.42 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 2jqz n LYS 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2jqz n LYS 27 N -1.66 0.00 -3.29 -1.58 4.76 -1.26 -4.20 118.16 110.94 2jqz n LYS 27 Ca -0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 2jqz n LYS 27 Cb 0.05 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.18 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 6.57 0.45 4.39 1.11 -1.26 -5.04 116.67 118.89 2jqz s ASP 28 Ca 0.00 0.68 -0.23 0.00 0.18 0.00 0.00 52.55 53.18 2jqz s ASP 28 Cb 0.00 -2.28 -0.10 0.00 1.07 0.00 0.00 42.92 41.61 2jqz s ASP 28 CO 0.00 -0.12 0.95 0.33 1.18 0.00 0.00 175.17 177.51 2jqz n PHE 29 N 4.48 0.93 0.00 4.23 -0.00 -1.26 -0.82 117.46 125.02 2jqz n PHE 29 Ca -0.06 0.54 0.00 0.00 -0.00 0.00 0.00 57.45 57.93 2jqz n PHE 29 Cb 0.51 -2.19 0.00 0.00 -0.00 0.00 0.00 39.48 37.80 2jqz n PHE 29 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2jqz n PHE 30 N -0.71 0.00 -2.50 -5.13 7.35 -1.26 -4.90 117.46 110.30 2jqz n PHE 30 Ca 0.10 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.56 2jqz n PHE 30 Cb 0.40 -0.08 0.08 0.00 0.35 0.00 0.00 39.48 40.23 2jqz n PHE 30 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2jqz s ARG 31 N 0.00 2.05 0.03 -4.13 0.52 0.00 -5.12 118.95 112.30 2jqz s ARG 31 Ca 0.00 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 2jqz s ARG 31 Cb 0.00 -2.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 2jqz s ARG 31 CO 0.00 -1.18 -0.06 -0.51 0.02 0.00 0.00 175.30 173.56 2jqz s LEU 32 N -5.06 2.24 0.23 2.53 2.01 -1.26 -4.68 118.68 114.70 2jqz s LEU 32 Ca 0.62 -0.51 -0.05 0.00 0.01 0.00 0.00 54.13 54.20 2jqz s LEU 32 Cb -0.08 -0.10 -0.06 0.00 0.01 0.00 0.00 46.19 45.96 2jqz s LEU 32 CO 0.43 -0.21 0.49 -2.16 1.01 0.00 0.00 176.35 175.91 2jqz s PRO 33 N -1.46 3.65 -0.85 1.29 0.04 -1.26 -4.76 135.00 131.66 2jqz s PRO 33 Ca -0.11 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2jqz s PRO 33 Cb -0.09 -2.71 0.22 0.00 0.04 0.00 0.00 34.50 31.95 2jqz s PRO 33 CO 0.00 0.31 0.75 -0.25 0.04 0.00 0.00 177.00 177.85 2jqz n ASP 34 N -0.51 4.01 -4.76 6.66 9.92 -1.26 -2.50 116.55 128.11 2jqz n ASP 34 Ca -0.02 -3.19 -0.39 0.00 -0.53 0.00 0.00 54.79 50.67 2jqz n ASP 34 Cb 0.53 -0.97 0.01 0.00 -0.64 0.00 0.00 41.12 40.05 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 -1.55 3.68 0.28 -0.24 0.04 -1.16 -0.96 135.00 135.10 2jqz s PRO 35 Ca 0.28 2.13 -0.10 0.00 0.04 0.00 0.00 61.00 63.35 2jqz s PRO 35 Cb -0.04 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2jqz s PRO 35 CO -0.12 -0.72 0.50 -0.59 0.04 0.00 0.00 177.00 176.11 2jqz s PHE 36 N -1.32 0.52 0.15 0.56 -0.71 -0.68 0.10 117.98 116.60 2jqz s PHE 36 Ca 0.62 -0.88 0.07 0.00 -1.04 0.00 0.00 56.93 55.70 2jqz s PHE 36 Cb -0.37 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 2jqz s PHE 36 CO 0.47 -1.08 -0.14 0.00 -1.34 0.00 0.00 175.22 173.13 2jqz s ALA 37 N -3.63 1.69 0.07 1.99 0.00 -1.13 -1.60 121.76 119.14 2jqz s ALA 37 Ca 0.24 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.81 2jqz s ALA 37 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2jqz s ALA 37 CO 0.12 0.09 -0.10 0.15 0.00 0.00 0.00 175.76 176.02 2jqz s LYS 38 N -3.03 0.71 -0.05 0.00 1.02 0.57 -0.02 119.74 118.94 2jqz s LYS 38 Ca 0.14 -0.95 0.06 0.00 0.02 0.00 0.00 55.97 55.24 2jqz s LYS 38 Cb -0.03 -0.52 -0.01 0.00 -0.52 0.00 0.00 37.83 36.75 2jqz s LYS 38 CO 0.04 0.10 -0.23 0.08 -0.92 0.00 0.00 175.35 174.42 2jqz s VAL 39 N -1.70 1.90 -0.01 3.17 1.01 0.13 -0.49 120.40 124.40 2jqz s VAL 39 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2jqz s VAL 39 Cb -0.08 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2jqz s VAL 39 CO 0.01 0.53 -0.04 0.68 0.00 0.00 0.00 175.10 176.28 2jqz s VAL 40 N -0.12 0.33 -0.37 2.92 -7.23 -1.02 -2.40 120.40 112.51 2jqz s VAL 40 Ca -0.03 -0.14 -0.08 0.00 -1.81 0.00 0.00 61.98 59.92 2jqz s VAL 40 Cb -0.13 -0.31 0.05 0.00 0.56 0.00 0.00 36.38 36.55 2jqz s VAL 40 CO 0.03 0.12 0.18 -0.69 -0.31 0.00 0.00 175.10 174.43 2jqz s VAL 41 N 0.16 4.11 -1.08 1.32 1.01 -1.15 -2.62 120.40 122.15 2jqz s VAL 41 Ca -0.01 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 2jqz s VAL 41 Cb -0.05 -3.39 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 2jqz s VAL 41 CO -0.00 -0.30 1.93 -0.67 0.00 0.00 0.00 175.10 176.05 2jqz n ASP 42 N 4.89 2.93 0.00 3.32 2.03 -1.16 -2.26 116.55 126.30 2jqz n ASP 42 Ca -0.11 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.50 2jqz n ASP 42 Cb 0.44 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 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 5.49 1.68 3.33 0.27 0.00 -1.26 -4.41 105.19 110.28 2jqz n GLY 43 Ca 0.46 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.16 2jqz n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jqz s SER 44 N 0.00 2.37 -1.44 1.61 1.04 -0.96 -5.05 113.70 111.27 2jqz s SER 44 Ca 0.00 -1.04 -0.07 0.00 0.48 0.00 0.00 55.95 55.32 2jqz s SER 44 Cb 0.00 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2jqz s SER 44 CO 0.00 -0.23 2.66 0.61 0.98 0.00 0.00 173.24 177.25 2jqz n GLY 45 N -0.35 4.77 3.20 7.32 0.00 -1.26 -4.26 105.19 114.61 2jqz n GLY 45 Ca -0.08 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 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 0.32 2.76 0.07 1.61 -0.21 -1.26 -5.06 119.66 117.88 2jqz s GLN 46 Ca 0.61 -1.04 0.08 0.00 0.02 0.00 0.00 55.36 55.04 2jqz s GLN 46 Cb 0.19 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 31.11 2jqz s GLN 46 CO -0.08 -0.45 -0.23 0.00 -2.12 0.00 0.00 175.29 172.41 2jqz s HIS 48 N -0.91 0.96 -0.23 0.00 3.76 -1.01 -4.93 115.29 112.93 2jqz s HIS 48 Ca 0.09 -1.24 -0.19 0.00 -0.15 0.00 0.00 55.06 53.57 2jqz s HIS 48 Cb -0.09 -0.44 0.06 0.00 1.11 0.00 0.00 32.58 33.21 2jqz s HIS 48 CO 0.03 -0.64 0.61 -1.54 -0.85 0.00 0.00 174.74 172.35 2jqz s SER 49 N -3.10 -0.69 0.13 1.40 1.04 -1.26 0.19 113.70 111.40 2jqz s SER 49 Ca 0.32 1.26 -0.12 0.00 0.48 0.00 0.00 55.95 57.89 2jqz s SER 49 Cb 0.06 1.23 -0.06 0.00 0.10 0.00 0.00 66.02 67.35 2jqz s SER 49 CO 0.08 -0.22 0.48 0.42 0.98 0.00 0.00 173.24 174.99 2jqz s THR 50 N 0.72 4.97 0.98 2.02 -4.23 0.97 -4.94 115.64 116.12 2jqz s THR 50 Ca -0.03 0.62 -0.14 0.00 -1.18 0.00 0.00 61.69 60.95 2jqz s THR 50 Cb -0.05 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.11 2jqz s THR 50 CO -0.05 0.22 0.08 -0.90 -0.54 0.00 0.00 174.62 173.44 2jqz n ASP 51 N 0.73 -2.91 -4.85 3.99 5.68 -1.26 -2.85 116.55 115.07 2jqz n ASP 51 Ca -0.06 0.25 -0.34 0.00 -0.50 0.00 0.00 54.79 54.14 2jqz n ASP 51 Cb 0.52 -1.08 -0.06 0.00 -1.14 0.00 0.00 41.12 39.36 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2jqz s THR 52 N -2.30 4.88 -0.21 2.12 2.01 -1.26 -4.34 115.64 116.54 2jqz s THR 52 Ca 0.53 0.71 -0.05 0.00 0.31 0.00 0.00 61.69 63.19 2jqz s THR 52 Cb -0.19 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2jqz s THR 52 CO 0.70 0.14 0.01 -0.69 -0.69 0.00 0.00 174.62 174.09 2jqz s VAL 53 N -1.58 3.90 0.25 3.82 1.01 0.11 -4.98 120.40 122.93 2jqz s VAL 53 Ca 0.41 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 2jqz s VAL 53 Cb -0.14 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 2jqz s VAL 53 CO 0.20 0.41 1.21 -0.54 0.00 0.00 0.00 175.10 176.38 2jqz s LYS 54 N 1.23 4.49 0.00 2.72 1.02 -1.26 -2.99 119.74 124.95 2jqz s LYS 54 Ca 0.03 1.97 0.00 0.00 0.02 0.00 0.00 55.97 57.99 2jqz s LYS 54 Cb -0.15 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2jqz s LYS 54 CO 0.01 -0.04 0.00 0.27 -0.92 0.00 0.00 175.35 174.67 2jqz n ASN 55 N 1.67 0.00 -3.82 2.83 2.04 -1.21 -4.93 115.26 111.85 2jqz n ASN 55 Ca 0.02 0.00 -0.11 0.00 -0.44 0.00 0.00 54.58 54.05 2jqz n ASN 55 Cb 0.44 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.60 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 0.09 -1.40 5.53 -1.32 -1.04 -4.94 115.64 112.56 2jqz s THR 56 Ca 0.00 -0.78 0.15 0.00 -1.21 0.00 0.00 61.69 59.85 2jqz s THR 56 Cb 0.00 -0.80 0.35 0.00 -1.51 0.00 0.00 72.50 70.53 2jqz s THR 56 CO 0.00 -0.43 1.26 0.18 -2.21 0.00 0.00 174.62 173.42 2jqz n LEU 57 N 0.86 3.03 -2.98 9.08 4.77 -1.26 -4.48 117.00 126.01 2jqz n LEU 57 Ca -0.20 -1.77 -0.01 0.00 -0.03 0.00 0.00 56.01 54.00 2jqz n LEU 57 Cb 0.58 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2jqz n LEU 57 CO 0.22 0.72 0.13 1.51 -1.33 0.00 0.00 177.39 178.64 2jqz s ASP 58 N -1.06 -1.41 0.90 -1.43 -4.77 -1.26 -0.89 116.67 106.75 2jqz s ASP 58 Ca 0.28 -1.16 -0.11 0.00 -3.30 0.00 0.00 52.55 48.26 2jqz s ASP 58 Cb 0.15 1.83 0.19 0.00 -1.09 0.00 0.00 42.92 44.00 2jqz s ASP 58 CO 0.21 -0.11 1.24 -2.16 0.70 0.00 0.00 175.17 175.05 2jqz s PRO 59 N 1.40 0.82 -0.02 2.11 0.04 -1.23 -4.91 135.00 133.21 2jqz s PRO 59 Ca 0.22 -0.70 -0.18 0.00 0.04 0.00 0.00 61.00 60.38 2jqz s PRO 59 Cb -0.01 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2jqz s PRO 59 CO -0.07 -2.21 0.38 -1.59 0.04 0.00 0.00 177.00 173.56 2jqz s LYS 60 N -5.69 0.73 0.00 4.56 0.00 -1.26 -1.87 119.74 116.21 2jqz s LYS 60 Ca 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 55.97 56.61 2jqz s LYS 60 Cb -0.03 0.33 0.00 0.00 0.00 0.00 0.00 37.83 38.13 2jqz s LYS 60 CO 0.51 -0.21 0.00 0.91 0.00 0.00 0.00 175.35 176.56 2jqz n TRP 61 N 1.24 0.00 -4.23 1.78 8.01 -1.07 -4.92 117.44 118.25 2jqz n TRP 61 Ca -0.21 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.65 2jqz n TRP 61 Cb 0.56 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.81 2jqz n TRP 61 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2jqz n ASN 62 N -1.43 -1.11 -4.54 -0.99 5.15 0.16 -4.94 115.26 107.56 2jqz n ASN 62 Ca 0.00 -1.12 -0.24 0.00 -0.60 0.00 0.00 54.58 52.62 2jqz n ASN 62 Cb 0.09 -2.34 -0.09 0.00 -0.53 0.00 0.00 39.78 36.92 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 -7.00 1.92 -0.01 1.20 -0.21 -0.56 -4.93 119.66 110.06 2jqz s GLN 63 Ca 0.36 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 54.11 2jqz s GLN 63 Cb -0.20 -1.92 0.01 0.00 1.00 0.00 0.00 33.01 31.89 2jqz s GLN 63 CO 0.95 0.34 -0.01 -3.38 -2.12 0.00 0.00 175.29 171.08 2jqz s HIS 64 N -2.44 0.18 -0.04 0.91 -3.43 -1.26 0.19 115.29 109.40 2jqz s HIS 64 Ca 0.31 -0.01 0.07 0.00 -0.80 0.00 0.00 55.06 54.62 2jqz s HIS 64 Cb -0.06 -0.18 -0.01 0.00 -1.43 0.00 0.00 32.58 30.90 2jqz s HIS 64 CO 0.17 -0.04 -0.24 0.71 -2.00 0.00 0.00 174.74 173.34 2jqz s TYR 65 N 0.29 2.25 -0.51 0.38 2.02 -1.07 -4.95 117.35 115.75 2jqz s TYR 65 Ca -0.02 -0.56 -0.09 0.00 -0.37 0.00 0.00 57.07 56.02 2jqz s TYR 65 Cb -0.05 -1.47 0.13 0.00 -0.40 0.00 0.00 41.96 40.18 2jqz s TYR 65 CO -0.01 -0.13 0.39 -0.51 -1.57 0.00 0.00 175.55 173.72 2jqz s ASP 66 N -0.32 5.77 0.31 2.29 1.11 -1.26 -1.89 116.67 122.68 2jqz s ASP 66 Ca 0.02 -2.03 0.04 0.00 0.18 0.00 0.00 52.55 50.76 2jqz s ASP 66 Cb -0.12 -2.03 0.05 0.00 1.07 0.00 0.00 42.92 41.90 2jqz s ASP 66 CO 0.01 -0.67 0.38 0.18 1.18 0.00 0.00 175.17 176.25 2jqz n LEU 67 N 4.77 0.00 -4.44 1.23 7.99 -0.55 -4.84 117.00 121.15 2jqz n LEU 67 Ca -0.06 -1.11 -0.28 0.00 -0.01 0.00 0.00 56.01 54.55 2jqz n LEU 67 Cb 0.41 -0.21 -0.12 0.00 -0.11 0.00 0.00 43.42 43.39 2jqz n LEU 67 CO 0.42 -0.62 -0.52 -0.31 -1.51 0.00 0.00 177.39 174.85 2jqz s TYR 68 N -0.75 2.36 0.03 -1.77 2.02 -1.26 -1.27 117.35 116.72 2jqz s TYR 68 Ca 0.28 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 2jqz s TYR 68 Cb -0.02 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 2jqz s TYR 68 CO 0.18 0.46 -0.08 0.42 -1.57 0.00 0.00 175.55 174.96 2jqz s ILE 69 N -1.51 0.55 0.00 2.71 -1.09 0.54 -4.81 121.20 117.61 2jqz s ILE 69 Ca 0.20 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 2jqz s ILE 69 Cb -0.09 -0.57 0.00 0.00 -1.58 0.00 0.00 42.46 40.22 2jqz s ILE 69 CO 0.10 -0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.21 2jqz n GLY 70 N 1.92 5.79 0.33 6.18 0.00 -1.26 -0.13 105.19 118.01 2jqz n GLY 70 Ca -0.20 -1.88 0.20 0.00 0.00 0.00 0.00 46.02 44.14 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 0.10 -1.15 1.61 1.63 -2.02 -3.00 116.57 113.75 2jqz h LYS 71 Ca 0.00 -0.01 -0.38 0.00 -0.85 0.00 0.00 60.65 59.42 2jqz h LYS 71 Cb 0.00 -0.02 -0.35 0.00 -0.60 0.00 0.00 32.23 31.25 2jqz h LYS 71 CO 0.00 0.07 -1.05 -1.13 -3.45 0.00 0.00 179.45 173.89 2jqz n SER 72 N -5.30 0.57 -4.86 4.20 3.41 -1.26 -5.04 113.62 105.35 2jqz n SER 72 Ca 0.28 -2.86 -0.22 0.00 -0.26 0.00 0.00 58.87 55.81 2jqz n SER 72 Cb 0.90 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.62 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 -2.53 5.63 -0.04 4.04 -1.08 -1.14 -4.97 116.67 116.58 2jqz s ASP 73 Ca 0.30 -0.24 -0.11 0.00 -0.52 0.00 0.00 52.55 51.99 2jqz s ASP 73 Cb 0.40 -1.40 0.02 0.00 -1.46 0.00 0.00 42.92 40.48 2jqz s ASP 73 CO -0.02 -0.11 0.26 -0.94 0.52 0.00 0.00 175.17 174.88 2jqz s SER 74 N -3.90 -0.17 -0.02 -0.34 1.04 -1.26 -2.18 113.70 106.87 2jqz s SER 74 Ca 0.35 0.18 0.07 0.00 0.48 0.00 0.00 55.95 57.03 2jqz s SER 74 Cb -0.08 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 2jqz s SER 74 CO 0.26 -0.31 -0.23 -0.69 0.98 0.00 0.00 173.24 173.26 2jqz s VAL 75 N -0.82 2.35 -0.15 5.02 1.01 -0.78 -2.99 120.40 124.03 2jqz s VAL 75 Ca -0.09 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.85 2jqz s VAL 75 Cb -0.05 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.51 2jqz s VAL 75 CO 0.02 0.56 -0.06 -0.89 0.00 0.00 0.00 175.10 174.73 2jqz s THR 76 N -0.67 1.09 -0.24 3.92 2.01 -1.08 -2.06 115.64 118.62 2jqz s THR 76 Ca 0.11 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 2jqz s THR 76 Cb -0.10 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2jqz s THR 76 CO -0.00 0.19 0.31 -0.63 -0.69 0.00 0.00 174.62 173.80 2jqz s ILE 77 N 1.65 5.24 0.33 1.82 1.01 -0.22 -2.43 121.20 128.60 2jqz s ILE 77 Ca 0.02 0.49 0.09 0.00 0.00 0.00 0.00 60.65 61.24 2jqz s ILE 77 Cb -0.15 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2jqz s ILE 77 CO -0.08 0.25 0.10 -0.94 0.00 0.00 0.00 174.94 174.27 2jqz s SER 78 N 1.27 4.57 -0.09 3.58 1.04 0.36 0.05 113.70 124.48 2jqz s SER 78 Ca 0.14 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 2jqz s SER 78 Cb -0.15 -0.71 0.03 0.00 0.10 0.00 0.00 66.02 65.29 2jqz s SER 78 CO 0.08 -0.25 -0.05 -0.69 0.98 0.00 0.00 173.24 173.32 2jqz s VAL 79 N -2.43 0.75 0.10 5.02 1.01 0.93 -0.32 120.40 125.46 2jqz s VAL 79 Ca 0.36 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.31 2jqz s VAL 79 Cb -0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2jqz s VAL 79 CO 0.22 0.32 -0.22 0.26 0.00 0.00 0.00 175.10 175.67 2jqz s TRP 80 N 1.71 2.44 -0.74 5.22 0.52 -0.63 -1.39 118.94 126.07 2jqz s TRP 80 Ca 0.03 -0.32 -0.22 0.00 0.02 0.00 0.00 56.10 55.62 2jqz s TRP 80 Cb -0.13 -1.34 0.08 0.00 -1.15 0.00 0.00 33.47 30.93 2jqz s TRP 80 CO -0.06 0.31 1.02 1.21 0.02 0.00 0.00 176.95 179.45 2jqz s ASN 81 N -1.86 6.29 0.37 2.95 3.04 0.15 -1.68 114.94 124.20 2jqz s ASN 81 Ca 0.15 -1.27 0.19 0.00 0.04 0.00 0.00 52.86 51.98 2jqz s ASN 81 Cb -0.10 -2.42 1.24 0.00 -1.54 0.00 0.00 41.25 38.43 2jqz s ASN 81 CO 0.07 -1.35 1.63 -0.74 -3.04 0.00 0.00 177.10 173.66 2jqz h HIS 82 N 9.40 0.84 0.10 0.43 -0.00 -1.31 0.25 115.15 124.85 2jqz h HIS 82 Ca -0.16 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.26 2jqz h HIS 82 Cb 1.06 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.24 2jqz h HIS 82 CO 1.03 -0.30 -0.15 0.87 -0.00 0.00 0.00 177.93 179.38 2jqz h LYS 83 N 0.16 -0.29 0.00 5.26 1.79 -1.91 -2.80 116.57 118.79 2jqz h LYS 83 Ca 0.79 0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 59.10 2jqz h LYS 83 Cb 2.02 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 32.71 2jqz h LYS 83 CO -0.65 -0.19 -0.85 0.87 -1.08 0.00 0.00 179.45 177.55 2jqz h LYS 84 N -0.30 0.00 -0.39 3.15 1.79 -0.94 -1.84 116.57 118.04 2jqz h LYS 84 Ca 0.02 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.60 2jqz h LYS 84 Cb 0.31 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2jqz h LYS 84 CO -0.08 0.85 0.31 -0.84 -1.08 0.00 0.00 179.45 178.61 2jqz h ILE 85 N 0.00 0.70 0.00 1.86 3.07 -0.48 0.70 117.51 123.37 2jqz h ILE 85 Ca -0.01 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.29 2jqz h ILE 85 Cb 1.62 0.78 -0.02 0.00 -0.27 0.00 0.00 36.82 38.93 2jqz h ILE 85 CO 0.11 0.00 -1.34 1.57 -1.05 0.00 0.00 178.15 177.44 2jqz n HIS 86 N -4.26 0.92 0.07 0.16 -0.00 -1.07 -4.38 115.22 106.66 2jqz n HIS 86 Ca 0.07 0.29 -0.13 0.00 0.46 0.00 0.00 57.72 58.41 2jqz n HIS 86 Cb 0.49 -1.03 -0.08 0.00 -0.12 0.00 0.00 29.99 29.26 2jqz n HIS 86 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 2jqz h LYS 87 N 0.00 -0.55 0.00 1.57 1.63 0.13 -3.48 116.57 115.87 2jqz h LYS 87 Ca -0.12 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2jqz h LYS 87 Cb 1.40 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 2jqz h LYS 87 CO 0.03 -0.36 0.00 1.63 -3.45 0.00 0.00 179.45 177.30 2jqz n LYS 88 N -4.81 0.00 -2.03 1.90 4.76 -1.03 -5.06 118.16 111.88 2jqz n LYS 88 Ca -0.06 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 2jqz n LYS 88 Cb 0.32 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.49 2jqz n LYS 88 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2jqz s GLN 89 N -1.00 4.29 0.00 1.97 0.74 -1.26 -2.72 119.66 121.68 2jqz s GLN 89 Ca 0.00 2.31 0.00 0.00 0.05 0.00 0.00 55.36 57.72 2jqz s GLN 89 Cb 0.00 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 31.06 2jqz s GLN 89 CO 0.00 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 2jqz n GLY 90 N 0.88 1.12 3.69 2.59 0.00 -1.26 -4.93 105.19 107.27 2jqz n GLY 90 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jqz n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqz s ALA 91 N 0.00 3.58 0.00 4.61 0.00 -1.10 -4.14 121.76 124.70 2jqz s ALA 91 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2jqz s ALA 91 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2jqz s ALA 91 CO 0.00 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2jqz n GLY 92 N 3.62 -0.85 3.94 0.00 0.00 -1.24 -2.56 105.19 108.11 2jqz n GLY 92 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.14 3.48 0.00 1.61 5.36 -1.26 0.34 117.98 127.38 2jqz s PHE 93 Ca 0.00 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2jqz s PHE 93 Cb 0.00 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.97 2jqz s PHE 93 CO 0.00 0.47 0.00 1.28 -1.46 0.00 0.00 175.22 175.51 2jqz n LEU 94 N -0.62 0.04 0.00 6.12 4.77 -0.57 -4.30 117.00 122.44 2jqz n LEU 94 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2jqz n LEU 94 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2jqz n LEU 94 CO 0.48 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2jqz n GLY 95 N 1.59 0.92 3.57 -0.72 0.00 -0.49 -4.10 105.19 105.96 2jqz n GLY 95 Ca 0.00 0.57 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 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 1.14 4.79 -0.08 0.00 0.11 0.11 -4.66 120.40 121.81 2jqz s VAL 97 Ca 0.06 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2jqz s VAL 97 Cb -0.14 -3.17 -0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2jqz s VAL 97 CO 0.04 0.44 -0.23 -0.60 -3.33 0.00 0.00 175.10 171.42 2jqz s ARG 98 N 0.53 2.64 -0.10 1.54 3.52 -1.26 -1.06 118.95 124.76 2jqz s ARG 98 Ca 0.04 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 2jqz s ARG 98 Cb -0.13 -2.11 0.02 0.00 -1.56 0.00 0.00 34.95 31.17 2jqz s ARG 98 CO 0.01 0.25 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.14 2jqz s LEU 99 N 0.14 1.43 0.00 -0.88 1.43 -0.87 -5.03 118.68 114.90 2jqz s LEU 99 Ca -0.11 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 2jqz s LEU 99 Cb -0.16 -0.88 0.15 0.00 0.03 0.00 0.00 46.19 45.33 2jqz s LEU 99 CO 0.06 -0.05 0.94 0.18 0.23 0.00 0.00 176.35 177.71 2jqz n LEU 100 N 4.46 0.00 -0.13 1.79 4.77 -1.26 -1.87 117.00 124.75 2jqz n LEU 100 Ca -0.17 -1.55 -0.06 0.00 -0.03 0.00 0.00 56.01 54.20 2jqz n LEU 100 Cb 0.51 -0.66 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 2jqz n LEU 100 CO 0.21 -1.05 0.98 -1.28 -1.33 0.00 0.00 177.39 174.91 2jqz h SER 101 N -0.86 0.25 -0.32 -1.43 0.87 -1.81 0.23 113.55 110.48 2jqz h SER 101 Ca -0.31 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2jqz h SER 101 Cb 1.01 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2jqz h SER 101 CO 0.28 0.19 0.16 -0.55 -0.53 0.00 0.00 176.83 176.38 2jqz h ASN 102 N 0.38 0.41 -0.76 6.23 -1.07 -1.94 -2.44 115.58 116.40 2jqz h ASN 102 Ca 0.18 -0.12 -0.03 0.00 0.07 0.00 0.00 56.30 56.40 2jqz h ASN 102 Cb 0.11 -0.11 -0.04 0.00 -2.07 0.00 0.00 38.32 36.22 2jqz h ASN 102 CO -0.15 0.41 0.35 0.00 0.07 0.00 0.00 177.43 178.12 2jqz h ALA 103 N 1.02 1.17 -0.75 4.14 0.00 -1.83 -2.52 119.26 120.49 2jqz h ALA 103 Ca 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jqz h ALA 103 Cb 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2jqz h ALA 103 CO -0.02 0.62 0.50 0.82 0.00 0.00 0.00 179.25 181.17 2jqz h ILE 104 N 1.10 1.17 0.31 0.00 5.03 -0.11 0.25 117.51 125.27 2jqz h ILE 104 Ca 0.26 -0.34 -0.02 0.00 -0.12 0.00 0.00 64.86 64.65 2jqz h ILE 104 Cb 0.13 0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.02 2jqz h ILE 104 CO -0.03 0.18 -0.15 0.78 -0.68 0.00 0.00 178.15 178.25 2jqz h ASN 105 N 0.99 -0.36 -0.79 1.72 4.21 -1.02 0.42 115.58 120.75 2jqz h ASN 105 Ca 0.28 -0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 2jqz h ASN 105 Cb -0.07 0.09 -0.04 0.00 -1.12 0.00 0.00 38.32 37.19 2jqz h ASN 105 CO -0.07 0.07 0.43 0.03 -1.29 0.00 0.00 177.43 176.61 2jqz h ARG 106 N -0.88 1.09 -0.11 0.81 3.08 -1.36 -2.90 114.38 114.12 2jqz h ARG 106 Ca -0.04 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.73 2jqz h ARG 106 Cb 0.52 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.36 2jqz h ARG 106 CO 0.07 0.81 -0.50 -0.07 -1.07 0.00 0.00 179.97 179.21 2jqz h LEU 107 N 1.09 0.63 -2.06 3.04 3.38 -0.56 -2.69 115.31 118.13 2jqz h LEU 107 Ca 0.28 -0.64 0.11 0.00 0.09 0.00 0.00 57.88 57.72 2jqz h LEU 107 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2jqz h LEU 107 CO -0.04 1.16 0.36 0.07 0.09 0.00 0.00 178.44 180.07 2jqz h LYS 108 N 0.14 0.00 0.07 1.13 5.09 0.04 0.55 116.57 123.58 2jqz h LYS 108 Ca -0.03 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.39 2jqz h LYS 108 Cb 1.14 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.45 2jqz h LYS 108 CO 0.10 0.00 -1.73 -0.44 -2.09 0.00 0.00 179.45 175.29 2jqz h ASP 109 N 0.00 0.22 0.10 7.07 3.32 -1.47 -3.10 116.42 122.56 2jqz h ASP 109 Ca 0.17 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 2jqz h ASP 109 Cb 0.89 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2jqz h ASP 109 CO -0.00 1.38 -0.14 0.71 -1.72 0.00 0.00 179.24 179.47 2jqz h THR 110 N 0.04 0.00 0.00 0.35 1.35 -0.55 -3.48 112.91 110.62 2jqz h THR 110 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2jqz h THR 110 Cb 2.01 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 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 -1.14 1.09 3.15 5.82 0.00 -0.96 -4.95 105.19 108.19 2jqz n GLY 111 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.17 -0.08 1.61 2.02 -1.26 -4.24 117.35 113.23 2jqz s TYR 112 Ca 0.00 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.87 2jqz s TYR 112 Cb 0.00 0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.62 2jqz s TYR 112 CO 0.00 -0.10 -0.15 -0.65 -1.57 0.00 0.00 175.55 173.08 2jqz s GLN 113 N 2.98 2.04 -0.53 -0.62 -1.52 0.35 -4.92 119.66 117.45 2jqz s GLN 113 Ca 0.09 -0.53 -0.14 0.00 -1.95 0.00 0.00 55.36 52.84 2jqz s GLN 113 Cb -0.05 -1.65 0.13 0.00 -0.22 0.00 0.00 33.01 31.22 2jqz s GLN 113 CO -0.14 0.05 0.46 1.03 -0.25 0.00 0.00 175.29 176.44 2jqz s ARG 114 N 0.65 2.86 -0.27 2.91 0.52 -1.26 -0.84 118.95 123.52 2jqz s ARG 114 Ca -0.14 -1.76 -0.13 0.00 -0.52 0.00 0.00 55.73 53.18 2jqz s ARG 114 Cb -0.16 -4.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.07 2jqz s ARG 114 CO 0.04 -1.29 0.29 -0.51 0.02 0.00 0.00 175.30 173.86 2jqz s LEU 115 N 1.48 4.04 0.02 2.53 2.01 0.12 -4.88 118.68 124.00 2jqz s LEU 115 Ca 0.04 0.18 -0.30 0.00 0.01 0.00 0.00 54.13 54.06 2jqz s LEU 115 Cb -0.28 -2.30 -0.07 0.00 0.01 0.00 0.00 46.19 43.55 2jqz s LEU 115 CO 0.02 -0.11 1.68 -1.81 1.01 0.00 0.00 176.35 177.13 2jqz s ASP 116 N 1.62 6.62 -0.20 2.29 1.11 -1.26 -1.02 116.67 125.83 2jqz s ASP 116 Ca 0.12 2.39 -0.29 0.00 0.18 0.00 0.00 52.55 54.95 2jqz s ASP 116 Cb -0.16 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.29 2jqz s ASP 116 CO 0.10 -0.91 1.05 -0.76 1.18 0.00 0.00 175.17 175.83 2jqz s LEU 117 N 3.36 4.14 0.27 1.23 1.43 0.17 -4.86 118.68 124.42 2jqz s LEU 117 Ca 0.75 1.44 -0.07 0.00 -1.03 0.00 0.00 54.13 55.21 2jqz s LEU 117 Cb -0.37 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 2jqz s LEU 117 CO 0.32 -0.63 0.41 0.00 0.23 0.00 0.00 176.35 176.68 2jqz n LYS 119 N -0.41 -1.70 -0.21 0.00 -0.00 -1.26 -3.40 118.16 111.17 2jqz n LYS 119 Ca -0.00 -0.46 0.09 0.00 -0.00 0.00 0.00 58.31 57.94 2jqz n LYS 119 Cb 0.63 -2.01 0.37 0.00 -0.00 0.00 0.00 35.03 34.02 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 -2.27 0.64 -7.05 -5.58 -0.00 -1.94 -3.45 115.31 95.66 2jqz h LEU 120 Ca -0.55 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.36 2jqz h LEU 120 Cb 1.33 -0.12 -0.12 0.00 -0.00 0.00 0.00 40.66 41.75 2jqz h LEU 120 CO 0.43 0.38 0.26 -0.83 -0.00 0.00 0.00 178.44 178.68 2jqz s GLY 121 N -3.62 -0.57 0.30 0.83 0.00 -1.26 -5.04 107.32 97.96 2jqz s GLY 121 Ca -0.10 0.54 0.09 0.00 0.00 0.00 0.00 44.72 45.25 2jqz s GLY 121 CO 0.78 0.18 1.68 -2.55 0.00 0.00 0.00 173.10 173.19 2jqz h PRO 122 N 2.00 0.09 -1.57 2.90 0.11 -2.02 -3.13 132.00 130.38 2jqz h PRO 122 Ca -0.31 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 2jqz h PRO 122 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2jqz h PRO 122 CO 0.36 0.57 0.06 0.09 -0.21 0.00 0.00 178.00 178.88 2jqz n ASN 123 N -3.94 4.59 -3.50 -2.05 3.02 -1.26 -4.62 115.26 107.50 2jqz n ASN 123 Ca -0.02 -2.37 -0.21 0.00 -0.03 0.00 0.00 54.58 51.95 2jqz n ASN 123 Cb 0.53 -0.89 -0.13 0.00 -0.61 0.00 0.00 39.78 38.67 2jqz n ASN 123 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2jqz s ASP 124 N 1.36 1.94 -0.46 6.41 1.11 -1.19 -5.09 116.67 120.75 2jqz s ASP 124 Ca 0.05 -0.56 -0.28 0.00 0.18 0.00 0.00 52.55 51.93 2jqz s ASP 124 Cb 0.04 0.19 -0.09 0.00 1.07 0.00 0.00 42.92 44.13 2jqz s ASP 124 CO 0.00 -0.36 2.37 -3.20 1.18 0.00 0.00 175.17 175.17 2jqz n ASN 125 N 5.30 2.28 -1.08 0.27 4.05 -1.26 -4.87 115.26 119.95 2jqz n ASN 125 Ca -0.05 -0.14 0.00 0.00 0.45 0.00 0.00 54.58 54.84 2jqz n ASN 125 Cb 0.48 -1.46 0.00 0.00 1.23 0.00 0.00 39.78 40.03 2jqz n ASN 125 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2jqz n ASP 126 N 13.52 0.80 -3.24 1.20 8.00 -1.26 -5.10 116.55 130.47 2jqz n ASP 126 Ca 0.39 -0.77 -0.24 0.00 0.71 0.00 0.00 54.79 54.88 2jqz n ASP 126 Cb 0.42 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.00 0.27 -4.30 -3.53 -2.24 -1.26 -5.10 114.28 98.11 2jqz n THR 127 Ca 0.00 -4.43 -0.23 0.00 -2.27 0.00 0.00 64.05 57.12 2jqz n THR 127 Cb 0.00 -1.82 -0.08 0.00 -2.10 0.00 0.00 70.33 66.33 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 -1.74 3.10 0.00 2.28 0.11 -1.26 -4.85 120.40 118.03 2jqz s VAL 128 Ca 0.37 -1.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.46 2jqz s VAL 128 Cb 0.18 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 2jqz s VAL 128 CO -0.08 -0.32 0.00 -1.14 -3.33 0.00 0.00 175.10 170.23 2jqz n ARG 129 N -0.91 0.00 -3.98 1.54 0.63 -1.26 -4.95 116.66 107.73 2jqz n ARG 129 Ca -0.05 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.91 2jqz n ARG 129 Cb 0.60 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.52 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 -0.15 0.31 5.14 0.00 -0.70 -2.30 107.32 109.61 2jqz s GLY 130 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2jqz s GLY 130 CO 0.00 5.67 0.35 1.20 0.00 0.00 0.00 173.10 180.32 2jqz s GLN 131 N -2.03 1.71 -0.28 2.90 1.11 0.08 0.46 119.66 123.62 2jqz s GLN 131 Ca 0.29 -1.78 -0.18 0.00 0.01 0.00 0.00 55.36 53.71 2jqz s GLN 131 Cb -0.00 0.38 0.08 0.00 -1.01 0.00 0.00 33.01 32.46 2jqz s GLN 131 CO -0.01 -0.67 0.71 -1.50 0.01 0.00 0.00 175.29 173.83 2jqz s ILE 132 N -3.45 0.00 -0.25 1.08 2.07 -0.19 -0.82 121.20 119.64 2jqz s ILE 132 Ca 0.35 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.49 2jqz s ILE 132 Cb 0.02 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 2jqz s ILE 132 CO 0.20 0.00 0.14 -0.69 -1.91 0.00 0.00 174.94 172.69 2jqz s VAL 133 N 1.36 5.03 0.35 4.00 1.01 0.17 -0.70 120.40 131.62 2jqz s VAL 133 Ca -0.08 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2jqz s VAL 133 Cb -0.05 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2jqz s VAL 133 CO -0.15 0.31 0.09 1.33 0.00 0.00 0.00 175.10 176.68 2jqz n VAL 134 N 4.71 0.00 -3.71 2.92 0.24 -0.02 -1.44 118.33 121.03 2jqz n VAL 134 Ca -0.15 -1.91 -0.14 0.00 -2.04 0.00 0.00 64.34 60.10 2jqz n VAL 134 Cb 0.52 0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 33.37 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 -3.06 0.08 -0.31 -1.34 1.04 0.18 -0.50 113.70 109.80 2jqz s SER 135 Ca 0.13 0.43 -0.09 0.00 0.48 0.00 0.00 55.95 56.90 2jqz s SER 135 Cb 0.01 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2jqz s SER 135 CO 0.09 -0.19 0.14 -0.76 0.98 0.00 0.00 173.24 173.50 2jqz s LEU 136 N 1.63 4.11 -0.06 2.42 2.01 -1.26 -0.72 118.68 126.82 2jqz s LEU 136 Ca -0.05 -0.65 -0.05 0.00 0.01 0.00 0.00 54.13 53.39 2jqz s LEU 136 Cb -0.11 -1.96 0.02 0.00 0.01 0.00 0.00 46.19 44.14 2jqz s LEU 136 CO -0.07 -0.22 0.15 -1.58 1.01 0.00 0.00 176.35 175.64 2jqz s GLN 137 N 1.57 0.16 0.11 1.70 0.74 -1.10 -2.27 119.66 120.57 2jqz s GLN 137 Ca 0.04 0.24 -0.31 0.00 0.05 0.00 0.00 55.36 55.37 2jqz s GLN 137 Cb -0.17 0.04 -0.10 0.00 1.10 0.00 0.00 33.01 33.87 2jqz s GLN 137 CO 0.05 -0.05 1.84 -1.54 -0.55 0.00 0.00 175.29 175.04 2jqz s SER 138 N 0.27 6.43 0.34 6.67 1.04 -1.22 -2.48 113.70 124.76 2jqz s SER 138 Ca -0.02 2.74 -0.12 0.00 0.48 0.00 0.00 55.95 59.04 2jqz s SER 138 Cb -0.03 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 2jqz s SER 138 CO -0.01 -1.01 0.72 -0.60 0.98 0.00 0.00 173.24 173.32 2jqz s ARG 139 N 2.93 3.86 0.00 4.02 6.06 -1.08 -4.86 118.95 129.87 2jqz s ARG 139 Ca 0.81 0.49 0.26 0.00 -2.50 0.00 0.00 55.73 54.79 2jqz s ARG 139 Cb -0.45 -2.45 0.54 0.00 0.06 0.00 0.00 34.95 32.64 2jqz s ARG 139 CO 0.37 0.10 1.46 -0.25 -2.50 0.00 0.00 175.30 174.47