#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqz n PRO 11 N 0.00 -1.29 -4.28 1.61 -0.04 -1.26 -5.00 135.00 124.74 2jqz n PRO 11 Ca 0.00 -0.34 -0.35 0.00 -0.04 0.00 0.00 63.50 62.77 2jqz n PRO 11 Cb 0.00 -2.02 -0.10 0.00 -0.04 0.00 0.00 33.50 31.34 2jqz n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jqz s VAL 12 N -2.41 4.39 -0.63 0.52 0.11 -0.86 -4.85 120.40 116.67 2jqz s VAL 12 Ca 0.62 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 59.27 2jqz s VAL 12 Cb -0.21 -2.89 0.09 0.00 -1.53 0.00 0.00 36.38 31.85 2jqz s VAL 12 CO 0.64 0.55 0.81 -0.75 -3.33 0.00 0.00 175.10 173.03 2jqz s LYS 13 N -0.37 3.09 -0.15 1.54 2.47 -1.26 -1.26 119.74 123.79 2jqz s LYS 13 Ca 0.08 -1.17 0.01 0.00 -1.56 0.00 0.00 55.97 53.32 2jqz s LYS 13 Cb -0.12 -4.27 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 2jqz s LYS 13 CO 0.02 -1.65 -0.17 -1.17 0.16 0.00 0.00 175.35 172.55 2jqz s LEU 14 N 3.15 2.38 -0.16 5.43 1.98 -0.93 0.09 118.68 130.61 2jqz s LEU 14 Ca 0.16 -0.51 -0.03 0.00 -2.89 0.00 0.00 54.13 50.86 2jqz s LEU 14 Cb -0.21 -1.53 -0.02 0.00 0.66 0.00 0.00 46.19 45.09 2jqz s LEU 14 CO 0.07 0.08 -0.06 0.00 -1.89 0.00 0.00 176.35 174.55 2jqz s ARG 15 N 0.85 3.56 -0.24 1.98 1.70 -1.06 -1.45 118.95 124.29 2jqz s ARG 15 Ca -0.05 -0.57 -0.10 0.00 -0.47 0.00 0.00 55.73 54.54 2jqz s ARG 15 Cb -0.15 -2.88 -0.05 0.00 -0.57 0.00 0.00 34.95 31.30 2jqz s ARG 15 CO -0.01 0.15 0.14 -1.17 -1.08 0.00 0.00 175.30 173.33 2jqz s LEU 16 N 0.58 3.98 -0.41 -1.89 0.20 -0.84 -2.23 118.68 118.08 2jqz s LEU 16 Ca -0.04 0.05 -0.14 0.00 0.69 0.00 0.00 54.13 54.69 2jqz s LEU 16 Cb -0.15 -2.07 0.02 0.00 -0.43 0.00 0.00 46.19 43.57 2jqz s LEU 16 CO 0.03 0.05 0.29 -0.89 -0.29 0.00 0.00 176.35 175.54 2jqz s THR 17 N 1.13 5.14 -0.97 3.68 2.01 0.15 -2.12 115.64 124.66 2jqz s THR 17 Ca 0.07 -0.72 -0.24 0.00 0.31 0.00 0.00 61.69 61.11 2jqz s THR 17 Cb -0.14 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.54 2jqz s THR 17 CO 0.05 -0.31 1.45 -0.69 -0.69 0.00 0.00 174.62 174.43 2jqz s VAL 18 N 1.66 3.87 -0.01 3.82 1.01 0.83 -0.41 120.40 131.17 2jqz s VAL 18 Ca 0.04 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 2jqz s VAL 18 Cb -0.19 -4.98 -0.12 0.00 0.00 0.00 0.00 36.38 31.08 2jqz s VAL 18 CO 0.09 -1.88 0.90 0.25 0.00 0.00 0.00 175.10 174.47 2jqz h LEU 19 N 13.09 -0.66 -7.89 3.92 5.85 -1.68 0.13 115.31 128.07 2jqz h LEU 19 Ca 0.13 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.97 2jqz h LEU 19 Cb 1.02 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 2jqz h LEU 19 CO 1.40 -0.26 0.36 0.00 -0.34 0.00 0.00 178.44 179.59 2jqz s ALA 21 N -3.21 1.66 0.28 0.00 0.00 -1.22 -0.20 121.76 119.08 2jqz s ALA 21 Ca 0.13 -1.12 0.10 0.00 0.00 0.00 0.00 51.96 51.08 2jqz s ALA 21 Cb -0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 2jqz s ALA 21 CO 0.06 0.34 -0.08 0.15 0.00 0.00 0.00 175.76 176.23 2jqz s LYS 22 N -1.57 2.02 -0.70 0.00 -0.14 0.23 -3.29 119.74 116.29 2jqz s LYS 22 Ca 0.05 -1.60 -0.04 0.00 -1.36 0.00 0.00 55.97 53.02 2jqz s LYS 22 Cb -0.09 -1.98 0.01 0.00 -1.68 0.00 0.00 37.83 34.09 2jqz s LYS 22 CO 0.03 0.32 0.48 -1.71 -0.76 0.00 0.00 175.35 173.71 2jqz n ASN 23 N -0.80 -3.67 -4.70 2.83 5.15 -0.84 -0.69 115.26 112.54 2jqz n ASN 23 Ca -0.06 -0.82 -0.42 0.00 -0.60 0.00 0.00 54.58 52.69 2jqz n ASN 23 Cb 0.60 -1.25 -0.03 0.00 -0.53 0.00 0.00 39.78 38.57 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jqz s LEU 24 N -4.74 4.31 -0.29 1.20 2.01 -0.52 -2.87 118.68 117.78 2jqz s LEU 24 Ca 0.06 1.73 -0.32 0.00 0.01 0.00 0.00 54.13 55.61 2jqz s LEU 24 Cb -0.03 -3.56 -0.09 0.00 0.01 0.00 0.00 46.19 42.52 2jqz s LEU 24 CO 0.72 -0.45 2.20 0.55 1.01 0.00 0.00 176.35 180.38 2jqz n VAL 25 N 4.31 0.26 0.91 -1.59 3.14 -1.09 -4.70 118.33 119.57 2jqz n VAL 25 Ca 0.09 -0.34 0.07 0.00 -2.96 0.00 0.00 64.34 61.19 2jqz n VAL 25 Cb 0.48 -2.04 0.42 0.00 -1.06 0.00 0.00 33.84 31.64 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 8.41 0.45 0.00 1.45 2.85 -1.26 -4.37 118.16 125.70 2jqz n LYS 26 Ca 0.36 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 2jqz n LYS 26 Cb 0.32 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 -0.99 0.00 -3.30 -1.58 4.76 -1.26 -3.63 118.16 112.16 2jqz n LYS 27 Ca 0.11 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.16 2jqz n LYS 27 Cb 0.05 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.17 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 6.47 0.01 4.39 1.01 -1.26 -5.00 116.67 118.29 2jqz s ASP 28 Ca 0.00 0.57 -0.02 0.00 0.71 0.00 0.00 52.55 53.81 2jqz s ASP 28 Cb 0.00 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.66 2jqz s ASP 28 CO 0.00 -0.17 1.00 0.33 0.21 0.00 0.00 175.17 176.54 2jqz n PHE 29 N 4.88 -0.03 0.08 4.23 7.35 -1.26 0.68 117.46 133.40 2jqz n PHE 29 Ca -0.06 0.08 0.20 0.00 -0.76 0.00 0.00 57.45 56.91 2jqz n PHE 29 Cb 0.50 -0.49 0.75 0.00 0.35 0.00 0.00 39.48 40.59 2jqz n PHE 29 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2jqz h PHE 30 N 0.00 0.00 -5.22 -5.13 0.04 -1.94 -3.41 116.94 101.27 2jqz h PHE 30 Ca 0.01 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.49 2jqz h PHE 30 Cb 0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 2jqz h PHE 30 CO -0.91 0.00 -0.09 0.54 -0.60 0.00 0.00 178.31 177.25 2jqz n ARG 31 N -3.77 0.91 -3.83 1.51 1.74 0.22 -5.16 116.66 108.28 2jqz n ARG 31 Ca 0.07 -1.78 -0.06 0.00 -0.77 0.00 0.00 57.85 55.32 2jqz n ARG 31 Cb 0.62 0.02 -0.01 0.00 -1.02 0.00 0.00 32.46 32.06 2jqz n ARG 31 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jqz s LEU 32 N 0.00 -0.20 0.10 0.55 1.02 -1.24 -4.44 118.68 114.47 2jqz s LEU 32 Ca 0.26 -0.62 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 2jqz s LEU 32 Cb -0.02 2.56 -0.04 0.00 0.02 0.00 0.00 46.19 48.71 2jqz s LEU 32 CO 0.16 -1.25 0.28 -2.16 0.02 0.00 0.00 176.35 173.40 2jqz s PRO 33 N -3.50 3.50 -0.77 1.29 0.04 -1.26 -4.86 135.00 129.43 2jqz s PRO 33 Ca 0.12 -0.34 0.03 0.00 0.04 0.00 0.00 61.00 60.85 2jqz s PRO 33 Cb -0.05 -2.96 0.20 0.00 0.04 0.00 0.00 34.50 31.74 2jqz s PRO 33 CO 0.06 0.54 0.67 -0.25 0.04 0.00 0.00 177.00 178.06 2jqz n ASP 34 N 0.09 3.66 -4.76 6.66 9.92 -1.26 -2.69 116.55 128.16 2jqz n ASP 34 Ca -0.04 -3.24 -0.39 0.00 -0.53 0.00 0.00 54.79 50.59 2jqz n ASP 34 Cb 0.52 -0.86 0.02 0.00 -0.64 0.00 0.00 41.12 40.15 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 3.64 0.33 -0.24 0.04 -1.21 -1.41 135.00 134.48 2jqz s PRO 35 Ca 0.28 2.26 -0.08 0.00 0.04 0.00 0.00 61.00 63.51 2jqz s PRO 35 Cb -0.02 -2.57 0.01 0.00 0.04 0.00 0.00 34.50 31.96 2jqz s PRO 35 CO -0.12 -0.80 0.54 -0.59 0.04 0.00 0.00 177.00 176.06 2jqz s PHE 36 N -1.26 0.71 0.13 0.56 -0.71 -0.79 -0.05 117.98 116.57 2jqz s PHE 36 Ca 0.63 -1.06 0.05 0.00 -1.04 0.00 0.00 56.93 55.50 2jqz s PHE 36 Cb -0.40 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 2jqz s PHE 36 CO 0.51 -1.19 -0.12 0.00 -1.34 0.00 0.00 175.22 173.08 2jqz s ALA 37 N -3.12 1.43 -0.04 1.99 0.00 -1.14 -2.17 121.76 118.70 2jqz s ALA 37 Ca 0.26 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2jqz s ALA 37 Cb -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.12 2jqz s ALA 37 CO 0.16 0.01 0.08 0.15 0.00 0.00 0.00 175.76 176.16 2jqz s LYS 38 N -3.06 -0.03 -0.01 0.00 1.02 0.11 -0.19 119.74 117.58 2jqz s LYS 38 Ca 0.11 0.34 -0.15 0.00 0.02 0.00 0.00 55.97 56.29 2jqz s LYS 38 Cb -0.02 -0.34 -0.06 0.00 -0.52 0.00 0.00 37.83 36.90 2jqz s LYS 38 CO 0.02 -0.25 0.41 0.08 -0.92 0.00 0.00 175.35 174.70 2jqz s VAL 39 N 1.67 5.04 -0.01 3.17 1.01 0.83 -0.83 120.40 131.28 2jqz s VAL 39 Ca -0.02 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.82 2jqz s VAL 39 Cb -0.12 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2jqz s VAL 39 CO -0.04 0.55 -0.03 0.68 0.00 0.00 0.00 175.10 176.26 2jqz s VAL 40 N -0.87 0.31 -0.39 2.92 -7.23 -0.99 -2.09 120.40 112.06 2jqz s VAL 40 Ca 0.24 -0.13 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 2jqz s VAL 40 Cb -0.16 -0.29 0.04 0.00 0.56 0.00 0.00 36.38 36.53 2jqz s VAL 40 CO 0.13 0.10 0.24 -0.69 -0.31 0.00 0.00 175.10 174.57 2jqz s VAL 41 N 0.11 4.67 -0.99 1.32 1.01 -1.13 -2.33 120.40 123.07 2jqz s VAL 41 Ca -0.01 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 2jqz s VAL 41 Cb -0.04 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 2jqz s VAL 41 CO -0.00 -0.31 2.00 -0.62 0.00 0.00 0.00 175.10 176.17 2jqz s ASP 42 N 1.72 4.87 0.00 3.32 2.15 -0.81 -1.49 116.67 126.43 2jqz s ASP 42 Ca 0.03 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.06 2jqz s ASP 42 Cb -0.20 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 2jqz s ASP 42 CO 0.07 -3.10 0.00 0.61 -0.17 0.00 0.00 175.17 172.58 2jqz n GLY 43 N 6.47 -0.48 3.40 2.66 0.00 -1.26 -3.70 105.19 112.28 2jqz n GLY 43 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 2jqz n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jqz s SER 44 N -0.05 -0.15 -1.12 1.61 0.15 -0.56 -5.07 113.70 108.52 2jqz s SER 44 Ca 0.00 -0.56 -0.03 0.00 0.70 0.00 0.00 55.95 56.06 2jqz s SER 44 Cb 0.00 0.50 0.20 0.00 -1.71 0.00 0.00 66.02 65.01 2jqz s SER 44 CO 0.00 -0.94 2.20 0.61 1.20 0.00 0.00 173.24 176.31 2jqz n GLY 45 N -0.26 5.50 3.20 9.45 0.00 -1.26 -4.33 105.19 117.49 2jqz n GLY 45 Ca -0.11 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.31 2jqz n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqz s GLN 46 N -2.52 2.80 0.13 1.61 -0.21 -1.26 -5.06 119.66 115.15 2jqz s GLN 46 Ca 0.49 -1.00 0.10 0.00 0.02 0.00 0.00 55.36 54.96 2jqz s GLN 46 Cb 0.22 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 2jqz s GLN 46 CO -0.14 -0.42 -0.24 0.00 -2.12 0.00 0.00 175.29 172.38 2jqz s HIS 48 N -1.25 0.58 -0.12 0.00 3.76 -0.89 -4.92 115.29 112.45 2jqz s HIS 48 Ca 0.12 -0.90 -0.23 0.00 -0.15 0.00 0.00 55.06 53.90 2jqz s HIS 48 Cb -0.09 -0.05 0.05 0.00 1.11 0.00 0.00 32.58 33.60 2jqz s HIS 48 CO 0.06 -0.85 0.56 -1.54 -0.85 0.00 0.00 174.74 172.12 2jqz s SER 49 N -3.05 -0.55 0.06 1.40 1.04 -1.26 -0.12 113.70 111.22 2jqz s SER 49 Ca 0.26 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.53 2jqz s SER 49 Cb 0.02 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 2jqz s SER 49 CO 0.08 -0.39 0.07 0.42 0.98 0.00 0.00 173.24 174.40 2jqz s THR 50 N -0.51 4.51 0.90 2.02 -4.23 0.73 -4.94 115.64 114.12 2jqz s THR 50 Ca -0.06 -0.69 -0.14 0.00 -1.18 0.00 0.00 61.69 59.61 2jqz s THR 50 Cb -0.03 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.66 2jqz s THR 50 CO 0.05 0.19 0.19 -0.90 -0.54 0.00 0.00 174.62 173.61 2jqz n ASP 51 N 0.70 -2.68 -4.85 3.99 5.68 -1.26 -2.87 116.55 115.25 2jqz n ASP 51 Ca -0.10 0.37 -0.35 0.00 -0.50 0.00 0.00 54.79 54.20 2jqz n ASP 51 Cb 0.52 -1.12 -0.06 0.00 -1.14 0.00 0.00 41.12 39.33 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 -2.21 4.98 -0.07 2.12 2.01 -1.26 -4.36 115.64 116.85 2jqz s THR 52 Ca 0.55 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 63.17 2jqz s THR 52 Cb -0.24 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2jqz s THR 52 CO 0.68 0.28 0.07 -0.69 -0.69 0.00 0.00 174.62 174.27 2jqz s VAL 53 N -1.41 4.82 -0.01 3.82 1.01 0.93 -4.98 120.40 124.57 2jqz s VAL 53 Ca 0.35 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 2jqz s VAL 53 Cb -0.15 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2jqz s VAL 53 CO 0.18 0.54 0.52 -0.54 0.00 0.00 0.00 175.10 175.80 2jqz s LYS 54 N -1.17 4.20 0.00 2.72 1.02 -1.26 -3.34 119.74 121.91 2jqz s LYS 54 Ca 0.17 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.75 2jqz s LYS 54 Cb -0.12 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2jqz s LYS 54 CO 0.06 0.45 0.00 0.27 -0.92 0.00 0.00 175.35 175.21 2jqz n ASN 55 N 2.53 0.00 -3.73 2.83 2.04 -1.20 -4.94 115.26 112.79 2jqz n ASN 55 Ca -0.09 0.00 -0.12 0.00 -0.44 0.00 0.00 54.58 53.93 2jqz n ASN 55 Cb 0.51 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.69 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 0.07 -1.14 5.53 -1.32 -1.10 -4.97 115.64 112.71 2jqz s THR 56 Ca 0.00 -0.59 0.12 0.00 -1.21 0.00 0.00 61.69 60.01 2jqz s THR 56 Cb 0.00 -0.89 0.31 0.00 -1.51 0.00 0.00 72.50 70.41 2jqz s THR 56 CO 0.00 -0.33 1.23 0.18 -2.21 0.00 0.00 174.62 173.49 2jqz n LEU 57 N 0.68 2.89 -2.76 9.08 4.77 -1.26 -4.58 117.00 125.83 2jqz n LEU 57 Ca -0.19 -1.84 -0.04 0.00 -0.03 0.00 0.00 56.01 53.91 2jqz n LEU 57 Cb 0.59 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2jqz n LEU 57 CO 0.21 0.70 0.14 -0.90 -1.33 0.00 0.00 177.39 176.21 2jqz n ASP 58 N 0.67 -3.36 -2.34 -1.43 5.75 -1.26 -1.44 116.55 113.13 2jqz n ASP 58 Ca 0.12 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 2jqz n ASP 58 Cb 0.43 1.73 0.00 0.00 -1.03 0.00 0.00 41.12 42.25 2jqz n ASP 58 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2jqz n PRO 59 N 2.85 0.29 -3.60 0.11 -0.04 -1.21 -4.90 135.00 128.51 2jqz n PRO 59 Ca 0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 2jqz n PRO 59 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 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 -2.04 0.65 0.00 0.54 0.00 -1.26 -3.39 119.74 114.24 2jqz s LYS 60 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 55.97 56.37 2jqz s LYS 60 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.14 2jqz s LYS 60 CO 0.00 -0.15 0.00 0.91 0.00 0.00 0.00 175.35 176.11 2jqz n TRP 61 N 1.46 0.00 -3.65 1.78 8.01 -0.98 -4.96 117.44 119.10 2jqz n TRP 61 Ca -0.13 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.79 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 -1.71 -1.01 0.00 0.00 177.69 174.97 2jqz n ASN 62 N -1.54 -3.77 -4.46 -0.99 4.05 0.44 -4.94 115.26 104.04 2jqz n ASN 62 Ca 0.00 -0.59 -0.33 0.00 0.45 0.00 0.00 54.58 54.11 2jqz n ASN 62 Cb 0.11 -3.09 -0.13 0.00 1.23 0.00 0.00 39.78 37.90 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2jqz s GLN 63 N -6.32 2.81 0.00 1.20 -0.21 -1.00 -4.90 119.66 111.24 2jqz s GLN 63 Ca 0.52 -0.67 0.08 0.00 0.02 0.00 0.00 55.36 55.31 2jqz s GLN 63 Cb -0.28 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 2jqz s GLN 63 CO 0.64 0.50 -0.25 -3.38 -2.12 0.00 0.00 175.29 170.69 2jqz s HIS 64 N -0.41 2.22 -0.04 0.91 -3.43 -1.26 -0.12 115.29 113.17 2jqz s HIS 64 Ca 0.05 -0.42 0.06 0.00 -0.80 0.00 0.00 55.06 53.95 2jqz s HIS 64 Cb -0.12 -1.40 -0.01 0.00 -1.43 0.00 0.00 32.58 29.62 2jqz s HIS 64 CO 0.02 0.01 -0.22 0.71 -2.00 0.00 0.00 174.74 173.27 2jqz s TYR 65 N -0.65 2.04 -0.24 0.38 2.02 -0.90 -4.94 117.35 115.06 2jqz s TYR 65 Ca 0.10 -0.50 -0.13 0.00 -0.37 0.00 0.00 57.07 56.17 2jqz s TYR 65 Cb -0.10 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 2jqz s TYR 65 CO -0.00 -0.12 0.28 -0.51 -1.57 0.00 0.00 175.55 173.62 2jqz s ASP 66 N -0.27 6.22 0.00 2.29 1.11 -1.26 -1.99 116.67 122.77 2jqz s ASP 66 Ca 0.02 0.25 0.03 0.00 0.18 0.00 0.00 52.55 53.03 2jqz s ASP 66 Cb -0.11 -2.16 -0.01 0.00 1.07 0.00 0.00 42.92 41.71 2jqz s ASP 66 CO 0.01 -0.04 -0.09 -0.76 1.18 0.00 0.00 175.17 175.47 2jqz s LEU 67 N 1.42 2.06 0.41 1.23 1.43 -0.53 -4.96 118.68 119.75 2jqz s LEU 67 Ca 0.12 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 2jqz s LEU 67 Cb -0.15 -0.44 -0.11 0.00 0.03 0.00 0.00 46.19 45.53 2jqz s LEU 67 CO 0.07 0.07 0.92 -0.31 0.23 0.00 0.00 176.35 177.34 2jqz s TYR 68 N -0.40 3.35 -0.20 0.29 2.02 -1.25 -2.20 117.35 118.96 2jqz s TYR 68 Ca 0.02 1.58 0.01 0.00 -0.37 0.00 0.00 57.07 58.30 2jqz s TYR 68 Cb -0.05 -2.82 0.05 0.00 -0.40 0.00 0.00 41.96 38.74 2jqz s TYR 68 CO -0.00 -0.06 -0.08 0.42 -1.57 0.00 0.00 175.55 174.26 2jqz s ILE 69 N -2.11 1.51 0.00 2.71 -1.09 -0.39 -4.88 121.20 116.95 2jqz s ILE 69 Ca 0.60 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 2jqz s ILE 69 Cb -0.10 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 2jqz s ILE 69 CO 0.14 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 2jqz n GLY 70 N 4.72 -0.33 0.28 6.18 0.00 -1.26 -2.02 105.19 112.76 2jqz n GLY 70 Ca -0.13 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.20 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 0.08 -2.06 1.61 1.63 -2.00 -3.11 116.57 112.71 2jqz h LYS 71 Ca 0.00 -0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.23 2jqz h LYS 71 Cb 0.00 -0.02 -0.40 0.00 -0.60 0.00 0.00 32.23 31.21 2jqz h LYS 71 CO 0.00 0.05 -0.96 0.45 -3.45 0.00 0.00 179.45 175.55 2jqz n SER 72 N -5.38 1.31 -4.51 4.20 2.88 -1.26 -5.08 113.62 105.77 2jqz n SER 72 Ca 0.14 -2.94 -0.24 0.00 -1.33 0.00 0.00 58.87 54.50 2jqz n SER 72 Cb 0.49 -0.65 -0.10 0.00 -0.75 0.00 0.00 64.21 63.21 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 -1.65 3.76 -0.01 -3.46 -1.08 -1.18 -5.03 116.67 108.03 2jqz s ASP 73 Ca 0.37 -1.00 -0.12 0.00 -0.52 0.00 0.00 52.55 51.28 2jqz s ASP 73 Cb 0.17 -0.39 0.01 0.00 -1.46 0.00 0.00 42.92 41.26 2jqz s ASP 73 CO -0.08 -0.01 0.24 -0.94 0.52 0.00 0.00 175.17 174.89 2jqz s SER 74 N -3.56 -0.10 -0.05 -0.34 1.04 -1.24 -2.87 113.70 106.58 2jqz s SER 74 Ca 0.31 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.76 2jqz s SER 74 Cb -0.04 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2jqz s SER 74 CO 0.16 -0.42 -0.23 -0.69 0.98 0.00 0.00 173.24 173.04 2jqz s VAL 75 N -1.38 2.24 -0.20 5.02 1.01 -0.62 -1.92 120.40 124.55 2jqz s VAL 75 Ca -0.14 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 2jqz s VAL 75 Cb -0.06 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.56 2jqz s VAL 75 CO 0.03 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.78 2jqz s THR 76 N -0.34 1.11 -0.17 3.92 2.01 -0.98 -1.48 115.64 119.70 2jqz s THR 76 Ca 0.02 -0.81 -0.19 0.00 0.31 0.00 0.00 61.69 61.02 2jqz s THR 76 Cb -0.12 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2jqz s THR 76 CO 0.02 -0.03 0.54 -0.63 -0.69 0.00 0.00 174.62 173.83 2jqz s ILE 77 N 1.61 5.11 0.23 1.82 1.01 0.08 -2.34 121.20 128.72 2jqz s ILE 77 Ca -0.02 1.02 0.09 0.00 0.00 0.00 0.00 60.65 61.74 2jqz s ILE 77 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2jqz s ILE 77 CO -0.07 0.21 -0.00 -0.94 0.00 0.00 0.00 174.94 174.14 2jqz s SER 78 N 1.00 4.63 -0.05 3.58 1.04 -0.01 0.17 113.70 124.06 2jqz s SER 78 Ca 0.26 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.16 2jqz s SER 78 Cb -0.16 -0.91 0.02 0.00 0.10 0.00 0.00 66.02 65.07 2jqz s SER 78 CO 0.10 0.03 -0.07 -0.69 0.98 0.00 0.00 173.24 173.59 2jqz s VAL 79 N -2.09 0.74 0.12 5.02 1.01 -0.12 -0.71 120.40 124.37 2jqz s VAL 79 Ca 0.30 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.10 2jqz s VAL 79 Cb -0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2jqz s VAL 79 CO 0.19 0.26 -0.19 0.26 0.00 0.00 0.00 175.10 175.63 2jqz s TRP 80 N 0.75 1.72 -0.64 5.22 0.52 -0.92 -2.27 118.94 123.32 2jqz s TRP 80 Ca -0.12 -0.45 -0.20 0.00 0.02 0.00 0.00 56.10 55.35 2jqz s TRP 80 Cb -0.14 -0.91 0.10 0.00 -1.15 0.00 0.00 33.47 31.37 2jqz s TRP 80 CO 0.01 0.23 0.80 1.21 0.02 0.00 0.00 176.95 179.23 2jqz s ASN 81 N -2.21 6.23 0.40 2.95 3.04 0.57 -1.89 114.94 124.03 2jqz s ASN 81 Ca 0.09 -1.40 0.24 0.00 0.04 0.00 0.00 52.86 51.83 2jqz s ASN 81 Cb -0.08 -2.34 1.32 0.00 -1.54 0.00 0.00 41.25 38.61 2jqz s ASN 81 CO 0.05 -1.18 1.63 -0.74 -3.04 0.00 0.00 177.10 173.81 2jqz h HIS 82 N 9.22 0.69 0.26 0.43 -0.00 -1.51 0.17 115.15 124.41 2jqz h HIS 82 Ca -0.25 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.15 2jqz h HIS 82 Cb 1.08 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.30 2jqz h HIS 82 CO 0.90 -0.25 -0.23 0.87 -0.00 0.00 0.00 177.93 179.22 2jqz h LYS 83 N 0.13 -0.49 0.00 5.26 1.79 -1.92 -2.83 116.57 118.52 2jqz h LYS 83 Ca 0.80 0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 59.16 2jqz h LYS 83 Cb 2.25 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.99 2jqz h LYS 83 CO -0.54 -0.33 -0.70 0.87 -1.08 0.00 0.00 179.45 177.68 2jqz h LYS 84 N -0.51 0.00 -0.34 3.15 1.57 -1.09 -2.52 116.57 116.83 2jqz h LYS 84 Ca -0.01 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2jqz h LYS 84 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2jqz h LYS 84 CO -0.03 0.70 0.24 -0.84 -0.57 0.00 0.00 179.45 178.95 2jqz h ILE 85 N 0.00 0.87 0.00 1.86 3.07 -0.83 0.52 117.51 123.00 2jqz h ILE 85 Ca -0.01 -0.03 -0.17 0.00 1.55 0.00 0.00 64.86 66.21 2jqz h ILE 85 Cb 1.53 0.78 -0.03 0.00 -0.27 0.00 0.00 36.82 38.83 2jqz h ILE 85 CO 0.09 0.01 -1.03 -0.74 -1.05 0.00 0.00 178.15 175.44 2jqz h HIS 86 N 0.08 0.00 -0.38 0.16 2.76 -1.41 -3.37 115.15 112.99 2jqz h HIS 86 Ca 0.16 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 2jqz h HIS 86 Cb 0.54 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.44 2jqz h HIS 86 CO -0.00 0.69 -0.42 -0.22 -1.30 0.00 0.00 177.93 176.68 2jqz h LYS 87 N 0.00 -0.24 0.00 5.26 1.63 0.49 -3.48 116.57 120.23 2jqz h LYS 87 Ca -0.09 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2jqz h LYS 87 Cb 1.61 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.29 2jqz h LYS 87 CO 0.08 -0.16 0.00 1.17 -3.45 0.00 0.00 179.45 177.08 2jqz n LYS 88 N -4.70 -0.57 -2.09 1.90 3.00 -1.12 -5.07 118.16 109.50 2jqz n LYS 88 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.90 2jqz n LYS 88 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.27 2jqz n LYS 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2jqz s GLN 89 N -0.24 3.92 0.00 1.64 2.00 -1.26 -3.27 119.66 122.45 2jqz s GLN 89 Ca 0.00 2.08 0.00 0.00 -2.00 0.00 0.00 55.36 55.44 2jqz s GLN 89 Cb 0.00 -2.69 0.00 0.00 0.80 0.00 0.00 33.01 31.12 2jqz s GLN 89 CO 0.00 -0.51 0.00 0.41 -0.50 0.00 0.00 175.29 174.69 2jqz n GLY 90 N 0.65 1.50 3.74 2.59 0.00 -1.26 -4.94 105.19 107.48 2jqz n GLY 90 Ca 0.04 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.64 0.00 4.61 0.00 -1.20 -4.22 121.76 124.60 2jqz s ALA 91 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2jqz s ALA 91 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2jqz s ALA 91 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2jqz n GLY 92 N 2.58 -0.13 3.94 0.00 0.00 -1.23 -3.09 105.19 107.27 2jqz n GLY 92 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2jqz n GLY 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jqz s PHE 93 N -0.65 3.48 0.09 1.61 5.36 -1.26 -0.31 117.98 126.29 2jqz s PHE 93 Ca 0.00 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 2jqz s PHE 93 Cb 0.00 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2jqz s PHE 93 CO 0.00 0.41 0.00 1.28 -1.46 0.00 0.00 175.22 175.45 2jqz n LEU 94 N -0.76 -0.07 0.00 6.12 4.77 -1.09 -4.30 117.00 121.68 2jqz n LEU 94 Ca -0.06 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2jqz n LEU 94 Cb 0.54 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2jqz n LEU 94 CO 0.48 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 2jqz n GLY 95 N 1.47 0.61 3.55 -0.72 0.00 -0.96 -4.19 105.19 104.95 2jqz n GLY 95 Ca 0.00 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 46.29 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 1.15 4.81 -0.08 0.00 0.11 0.13 -4.76 120.40 121.76 2jqz s VAL 97 Ca 0.05 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 2jqz s VAL 97 Cb -0.14 -3.19 -0.00 0.00 -1.53 0.00 0.00 36.38 31.52 2jqz s VAL 97 CO 0.04 0.43 -0.22 -0.60 -3.33 0.00 0.00 175.10 171.42 2jqz s ARG 98 N 0.60 2.65 -0.06 1.54 3.52 -1.26 -0.74 118.95 125.20 2jqz s ARG 98 Ca 0.04 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 54.86 2jqz s ARG 98 Cb -0.13 -2.09 0.01 0.00 -1.56 0.00 0.00 34.95 31.17 2jqz s ARG 98 CO 0.01 0.23 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.06 2jqz s LEU 99 N 0.21 1.81 0.00 -0.88 2.01 -0.55 -5.02 118.68 116.26 2jqz s LEU 99 Ca -0.13 -0.35 -0.02 0.00 0.01 0.00 0.00 54.13 53.64 2jqz s LEU 99 Cb -0.16 -0.95 0.06 0.00 0.01 0.00 0.00 46.19 45.16 2jqz s LEU 99 CO 0.06 0.10 0.41 0.18 1.01 0.00 0.00 176.35 178.11 2jqz n LEU 100 N 3.51 0.00 -0.05 1.79 4.77 -1.26 -1.59 117.00 124.17 2jqz n LEU 100 Ca -0.20 -0.71 -0.11 0.00 -0.03 0.00 0.00 56.01 54.96 2jqz n LEU 100 Cb 0.52 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 2jqz n LEU 100 CO 0.26 -0.73 0.79 -1.28 -1.33 0.00 0.00 177.39 175.09 2jqz h SER 101 N -0.35 0.27 -0.35 -1.43 0.87 -1.91 0.32 113.55 110.96 2jqz h SER 101 Ca -0.13 -0.25 -0.08 0.00 -1.23 0.00 0.00 61.79 60.10 2jqz h SER 101 Cb 0.45 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2jqz h SER 101 CO 0.13 0.45 -0.04 -0.55 -0.53 0.00 0.00 176.83 176.29 2jqz h ASN 102 N 0.08 0.72 -0.39 6.23 -1.07 -1.95 -2.48 115.58 116.72 2jqz h ASN 102 Ca 0.05 -0.18 -0.13 0.00 0.07 0.00 0.00 56.30 56.10 2jqz h ASN 102 Cb 0.30 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.34 2jqz h ASN 102 CO 0.00 0.82 -0.26 0.00 0.07 0.00 0.00 177.43 178.06 2jqz h ALA 103 N 1.26 0.73 -0.73 4.14 0.00 -1.87 -2.83 119.26 119.95 2jqz h ALA 103 Ca 0.13 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jqz h ALA 103 Cb 0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2jqz h ALA 103 CO 0.02 0.66 0.49 0.82 0.00 0.00 0.00 179.25 181.24 2jqz h ILE 104 N 0.78 1.18 0.19 0.00 5.03 0.07 0.29 117.51 125.05 2jqz h ILE 104 Ca 0.09 -0.34 -0.01 0.00 -0.12 0.00 0.00 64.86 64.49 2jqz h ILE 104 Cb 0.82 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.72 2jqz h ILE 104 CO 0.07 0.18 -0.09 0.78 -0.68 0.00 0.00 178.15 178.41 2jqz h ASN 105 N 0.98 -0.22 0.14 1.72 4.21 -1.34 0.25 115.58 121.33 2jqz h ASN 105 Ca 0.27 -0.29 -0.07 0.00 1.21 0.00 0.00 56.30 57.43 2jqz h ASN 105 Cb -0.10 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 2jqz h ASN 105 CO -0.06 0.21 -0.25 0.03 -1.29 0.00 0.00 177.43 176.07 2jqz h ARG 106 N -0.70 0.19 0.00 0.81 3.08 -1.30 -2.83 114.38 113.63 2jqz h ARG 106 Ca -0.03 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.79 2jqz h ARG 106 Cb 0.49 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2jqz h ARG 106 CO 0.04 0.43 -0.99 -0.07 -1.07 0.00 0.00 179.97 178.32 2jqz h LEU 107 N 0.17 0.00 -0.95 3.04 3.38 -0.43 -2.75 115.31 117.78 2jqz h LEU 107 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2jqz h LEU 107 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2jqz h LEU 107 CO 0.04 0.72 -0.52 0.07 0.09 0.00 0.00 178.44 178.84 2jqz h LYS 108 N 0.00 0.03 0.13 1.13 5.09 -0.25 -3.12 116.57 119.57 2jqz h LYS 108 Ca -0.08 -0.02 -0.31 0.00 0.09 0.00 0.00 60.65 60.34 2jqz h LYS 108 Cb 1.61 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.94 2jqz h LYS 108 CO 0.08 0.54 -1.51 0.22 -2.09 0.00 0.00 179.45 176.68 2jqz h ASP 109 N 0.02 0.44 0.08 7.07 3.58 -1.57 -3.25 116.42 122.78 2jqz h ASP 109 Ca -0.00 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2jqz h ASP 109 Cb 0.92 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 2jqz h ASP 109 CO 0.07 1.48 -0.23 0.71 -2.88 0.00 0.00 179.24 178.39 2jqz h THR 110 N 0.08 0.00 0.00 2.25 1.35 -1.43 -3.47 112.91 111.68 2jqz h THR 110 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2jqz h THR 110 Cb 2.03 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2jqz h THR 110 CO 0.17 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 2jqz n GLY 111 N -1.22 0.63 3.15 5.82 0.00 -1.19 -5.03 105.19 107.35 2jqz n GLY 111 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.22 -0.12 1.61 2.02 -1.26 -4.25 117.35 112.13 2jqz s TYR 112 Ca 0.00 1.26 0.02 0.00 -0.37 0.00 0.00 57.07 57.98 2jqz s TYR 112 Cb 0.00 0.42 0.01 0.00 -0.40 0.00 0.00 41.96 41.99 2jqz s TYR 112 CO 0.00 -0.67 -0.17 -0.65 -1.57 0.00 0.00 175.55 172.49 2jqz s GLN 113 N 2.89 2.50 -0.47 -0.62 -1.52 0.56 -4.96 119.66 118.05 2jqz s GLN 113 Ca 0.13 -0.66 -0.08 0.00 -1.95 0.00 0.00 55.36 52.80 2jqz s GLN 113 Cb -0.13 -2.10 0.12 0.00 -0.22 0.00 0.00 33.01 30.68 2jqz s GLN 113 CO -0.18 -0.06 0.32 1.03 -0.25 0.00 0.00 175.29 176.15 2jqz s ARG 114 N 0.97 2.38 -0.12 2.91 0.52 -1.26 -0.84 118.95 123.52 2jqz s ARG 114 Ca -0.06 -1.82 -0.06 0.00 -0.52 0.00 0.00 55.73 53.28 2jqz s ARG 114 Cb -0.15 -3.85 -0.04 0.00 0.52 0.00 0.00 34.95 31.43 2jqz s ARG 114 CO -0.03 -1.17 0.09 -0.51 0.02 0.00 0.00 175.30 173.71 2jqz s LEU 115 N 1.24 4.09 -0.03 2.53 1.02 -0.41 -4.90 118.68 122.22 2jqz s LEU 115 Ca 0.07 0.33 -0.30 0.00 0.02 0.00 0.00 54.13 54.25 2jqz s LEU 115 Cb -0.25 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 2jqz s LEU 115 CO -0.02 0.37 1.08 -1.81 0.02 0.00 0.00 176.35 175.99 2jqz s ASP 116 N -0.83 7.21 -0.19 2.29 1.01 -1.26 -0.31 116.67 124.60 2jqz s ASP 116 Ca 0.13 1.73 -0.29 0.00 0.71 0.00 0.00 52.55 54.84 2jqz s ASP 116 Cb -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2jqz s ASP 116 CO 0.03 -0.42 1.02 -0.76 0.21 0.00 0.00 175.17 175.25 2jqz s LEU 117 N 1.53 4.15 0.29 1.23 1.43 0.15 -4.87 118.68 122.59 2jqz s LEU 117 Ca 0.53 1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 54.96 2jqz s LEU 117 Cb -0.23 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2jqz s LEU 117 CO 0.24 -0.59 0.48 0.00 0.23 0.00 0.00 176.35 176.72 2jqz s LYS 119 N -3.55 2.73 0.49 0.00 0.00 -1.26 -4.18 119.74 113.96 2jqz s LYS 119 Ca 0.26 2.02 0.15 0.00 0.00 0.00 0.00 55.97 58.40 2jqz s LYS 119 Cb -0.00 -1.91 1.15 0.00 0.00 0.00 0.00 37.83 37.07 2jqz s LYS 119 CO 0.13 -1.45 2.09 -0.07 0.00 0.00 0.00 175.35 176.06 2jqz h LEU 120 N 0.74 0.03 0.00 2.77 -0.00 -1.83 -3.47 115.31 113.55 2jqz h LEU 120 Ca -0.51 -0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.43 2jqz h LEU 120 Cb 1.32 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 2jqz h LEU 120 CO 0.54 0.08 0.24 0.61 -0.00 0.00 0.00 178.44 179.92 2jqz n GLY 121 N -1.35 1.05 0.14 0.83 0.00 -1.26 -5.05 105.19 99.55 2jqz n GLY 121 Ca -0.02 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 2jqz n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jqz h PRO 122 N 0.00 0.37 -1.65 1.61 0.13 -1.95 -3.30 132.00 127.21 2jqz h PRO 122 Ca -0.12 -0.30 -0.74 0.00 -0.87 0.00 0.00 66.00 63.98 2jqz h PRO 122 Cb 0.52 0.06 -0.28 0.00 0.13 0.00 0.00 31.00 31.43 2jqz h PRO 122 CO 0.16 0.93 0.97 0.09 -0.23 0.00 0.00 178.00 179.93 2jqz n ASN 123 N -4.39 7.55 -3.00 1.44 3.02 -1.26 -4.61 115.26 114.01 2jqz n ASN 123 Ca -0.08 -3.82 -0.16 0.00 -0.03 0.00 0.00 54.58 50.49 2jqz n ASN 123 Cb 0.52 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 -0.67 -0.82 -2.61 6.41 8.00 -1.24 -5.06 116.55 120.56 2jqz n ASP 124 Ca 0.57 -3.14 -0.05 0.00 0.71 0.00 0.00 54.79 52.88 2jqz n ASP 124 Cb 0.39 0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 41.89 2jqz n ASP 124 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jqz n ASN 125 N 0.88 -1.71 -3.36 -2.24 5.15 -1.26 -4.39 115.26 108.33 2jqz n ASN 125 Ca 0.16 1.38 -0.38 0.00 -0.60 0.00 0.00 54.58 55.15 2jqz n ASN 125 Cb 0.63 -4.98 0.01 0.00 -0.53 0.00 0.00 39.78 34.90 2jqz n ASN 125 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2jqz n ASP 126 N 1.81 6.76 -2.68 1.20 5.75 -1.26 -4.67 116.55 123.45 2jqz n ASP 126 Ca -0.36 -3.71 -0.30 0.00 -0.01 0.00 0.00 54.79 50.41 2jqz n ASP 126 Cb 0.55 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 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 -0.18 2.87 -4.52 2.12 -2.24 -1.26 -5.03 114.28 106.03 2jqz n THR 127 Ca 0.45 -4.95 -0.30 0.00 -2.27 0.00 0.00 64.05 56.98 2jqz n THR 127 Cb 0.30 -1.29 -0.07 0.00 -2.10 0.00 0.00 70.33 67.16 2jqz n THR 127 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2jqz s VAL 128 N -5.25 1.49 0.00 2.28 -7.23 -1.26 -4.85 120.40 105.57 2jqz s VAL 128 Ca 0.49 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2jqz s VAL 128 Cb 0.38 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2jqz s VAL 128 CO -0.23 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.42 2jqz n ARG 129 N -1.30 0.00 -2.82 4.82 0.63 -1.26 -4.94 116.66 111.80 2jqz n ARG 129 Ca -0.12 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.80 2jqz n ARG 129 Cb 0.66 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.58 2jqz n ARG 129 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jqz n GLY 130 N 0.00 0.79 3.39 5.14 0.00 -0.99 -2.67 105.19 110.84 2jqz n GLY 130 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 2jqz n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqz s GLN 131 N -2.02 1.87 -0.26 1.61 1.11 0.13 0.35 119.66 122.44 2jqz s GLN 131 Ca 0.13 -1.92 -0.19 0.00 0.01 0.00 0.00 55.36 53.39 2jqz s GLN 131 Cb -0.01 0.39 0.07 0.00 -1.01 0.00 0.00 33.01 32.45 2jqz s GLN 131 CO 0.02 -0.74 0.67 -1.50 0.01 0.00 0.00 175.29 173.75 2jqz s ILE 132 N -3.18 -0.00 -0.19 1.08 2.07 0.58 -0.60 121.20 120.95 2jqz s ILE 132 Ca 0.36 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.55 2jqz s ILE 132 Cb 0.01 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 2jqz s ILE 132 CO 0.25 0.00 0.02 -0.69 -1.91 0.00 0.00 174.94 172.61 2jqz s VAL 133 N 0.97 4.23 0.36 4.00 1.01 0.73 -1.29 120.40 130.41 2jqz s VAL 133 Ca -0.05 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2jqz s VAL 133 Cb -0.05 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2jqz s VAL 133 CO -0.09 0.44 0.16 0.68 0.00 0.00 0.00 175.10 176.29 2jqz s VAL 134 N 0.76 0.45 -0.19 2.92 -7.23 -0.02 -1.87 120.40 115.22 2jqz s VAL 134 Ca 0.01 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 2jqz s VAL 134 Cb -0.14 -2.44 0.08 0.00 0.56 0.00 0.00 36.38 34.43 2jqz s VAL 134 CO 0.02 0.00 0.42 -0.94 -0.31 0.00 0.00 175.10 174.29 2jqz s SER 135 N -3.49 -0.39 -0.02 4.85 1.04 0.45 -0.32 113.70 115.82 2jqz s SER 135 Ca 0.31 0.96 0.03 0.00 0.48 0.00 0.00 55.95 57.72 2jqz s SER 135 Cb 0.04 1.08 -0.00 0.00 0.10 0.00 0.00 66.02 67.23 2jqz s SER 135 CO 0.18 -0.21 -0.10 -1.48 0.98 0.00 0.00 173.24 172.60 2jqz s LEU 136 N 2.03 1.88 -0.02 2.42 2.34 -1.26 0.31 118.68 126.38 2jqz s LEU 136 Ca -0.06 -0.19 -0.05 0.00 0.06 0.00 0.00 54.13 53.90 2jqz s LEU 136 Cb -0.10 -0.56 0.00 0.00 -0.56 0.00 0.00 46.19 44.97 2jqz s LEU 136 CO -0.13 0.09 0.10 -1.58 -1.06 0.00 0.00 176.35 173.77 2jqz s GLN 137 N 0.03 0.28 0.10 1.48 0.74 -0.95 -3.62 119.66 117.71 2jqz s GLN 137 Ca -0.00 -0.14 -0.30 0.00 0.05 0.00 0.00 55.36 54.96 2jqz s GLN 137 Cb -0.07 0.12 -0.06 0.00 1.10 0.00 0.00 33.01 34.10 2jqz s GLN 137 CO 0.00 -0.05 1.11 -1.54 -0.55 0.00 0.00 175.29 174.26 2jqz s SER 138 N -0.64 7.23 0.10 6.67 1.04 -1.26 -2.55 113.70 124.28 2jqz s SER 138 Ca -0.07 1.96 -0.07 0.00 0.48 0.00 0.00 55.95 58.25 2jqz s SER 138 Cb -0.04 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 2jqz s SER 138 CO 0.00 -0.32 0.38 -0.13 0.98 0.00 0.00 173.24 174.16 2jqz s ARG 139 N 0.47 3.68 0.00 4.02 1.81 0.11 -4.95 118.95 124.10 2jqz s ARG 139 Ca 0.53 0.05 0.30 0.00 -1.72 0.00 0.00 55.73 54.89 2jqz s ARG 139 Cb -0.27 -2.93 1.52 0.00 -0.45 0.00 0.00 34.95 32.81 2jqz s ARG 139 CO 0.31 0.52 2.01 -0.25 -0.68 0.00 0.00 175.30 177.21