#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo h ASN 2 N 0.00 0.03 0.67 7.83 4.21 -2.04 -1.16 115.58 125.12 2jqo h ASN 2 Ca 0.00 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.58 2jqo h ASN 2 Cb 0.00 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2jqo h ASN 2 CO 0.00 0.05 0.00 1.17 -1.29 0.00 0.00 177.43 177.36 2jqo n LYS 3 N -5.09 0.04 0.03 0.81 4.81 -1.26 -2.97 118.16 114.52 2jqo n LYS 3 Ca 0.04 0.14 0.07 0.00 -0.87 0.00 0.00 58.31 57.69 2jqo n LYS 3 Cb 0.21 -1.50 0.30 0.00 0.02 0.00 0.00 35.03 34.06 2jqo n LYS 3 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jqo n ASN 4 N -1.47 0.14 0.05 3.14 4.13 -0.44 -0.99 115.26 119.82 2jqo n ASN 4 Ca 0.06 0.54 -0.07 0.00 1.68 0.00 0.00 54.58 56.78 2jqo n ASN 4 Cb 0.23 -0.57 -0.12 0.00 -1.54 0.00 0.00 39.78 37.79 2jqo n ASN 4 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2jqo h GLU 5 N 0.00 0.00 -3.84 3.52 4.81 -1.71 -3.43 114.58 113.93 2jqo h GLU 5 Ca 0.00 -0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 2jqo h GLU 5 Cb 0.22 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.20 2jqo h GLU 5 CO 0.00 0.97 -0.76 -0.65 -0.73 0.00 0.00 179.01 177.84 2jqo s GLN 6 N -2.70 0.97 0.26 1.92 -0.21 -0.16 -4.97 119.66 114.76 2jqo s GLN 6 Ca 0.01 -1.05 -0.05 0.00 0.02 0.00 0.00 55.36 54.28 2jqo s GLN 6 Cb 0.10 -2.27 0.30 0.00 1.00 0.00 0.00 33.01 32.13 2jqo s GLN 6 CO 0.82 -0.85 1.94 -0.91 -2.12 0.00 0.00 175.29 174.16 2jqo h ASN 7 N 8.03 1.12 0.00 5.90 -0.26 -1.84 -3.45 115.58 125.07 2jqo h ASN 7 Ca -0.14 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 2jqo h ASN 7 Cb 1.04 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 38.02 2jqo h ASN 7 CO 0.45 0.81 0.00 0.61 -1.06 0.00 0.00 177.43 178.23 2jqo n GLY 8 N -1.39 1.43 0.29 2.83 0.00 -1.26 -2.73 105.19 104.37 2jqo n GLY 8 Ca 0.12 0.34 0.19 0.00 0.00 0.00 0.00 46.02 46.67 2jqo n GLY 8 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jqo h ASP 9 N 0.00 0.00 0.03 1.61 2.03 -2.02 -0.96 116.42 117.11 2jqo h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jqo h ASP 9 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2jqo h ASP 9 CO 0.00 0.00 -0.04 -0.62 -1.03 0.00 0.00 179.24 177.55 2jqo n GLU 10 N -2.99 1.53 -3.95 4.15 1.02 -1.10 -4.78 120.64 114.52 2jqo n GLU 10 Ca -0.01 -0.89 -0.24 0.00 -0.02 0.00 0.00 57.16 56.00 2jqo n GLU 10 Cb 0.18 -1.48 -0.17 0.00 -0.02 0.00 0.00 31.44 29.94 2jqo n GLU 10 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2jqo s THR 11 N -2.09 0.73 -0.26 2.62 -4.23 -0.36 -5.11 115.64 106.94 2jqo s THR 11 Ca 0.36 -0.13 -0.22 0.00 -1.18 0.00 0.00 61.69 60.51 2jqo s THR 11 Cb 0.21 -0.79 -0.01 0.00 1.34 0.00 0.00 72.50 73.24 2jqo s THR 11 CO 0.37 0.31 0.73 -0.54 -0.54 0.00 0.00 174.62 174.95 2jqo s LYS 12 N 1.61 4.10 -0.18 3.99 1.02 -1.26 -4.73 119.74 124.29 2jqo s LYS 12 Ca 0.01 0.69 -0.12 0.00 0.02 0.00 0.00 55.97 56.58 2jqo s LYS 12 Cb -0.13 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 2jqo s LYS 12 CO -0.05 -0.51 0.21 -1.64 -0.92 0.00 0.00 175.35 172.43 2jqo s MET 13 N 2.72 4.18 -0.27 1.68 -1.94 -1.26 -4.83 119.30 119.58 2jqo s MET 13 Ca 0.31 -0.07 -0.26 0.00 -1.71 0.00 0.00 55.69 53.96 2jqo s MET 13 Cb -0.15 -3.41 0.00 0.00 2.01 0.00 0.00 34.83 33.28 2jqo s MET 13 CO 0.09 0.30 0.91 -0.65 -0.01 0.00 0.00 175.02 175.66 2jqo s GLN 14 N 0.32 4.12 -0.43 2.03 -1.52 -0.75 -4.88 119.66 118.55 2jqo s GLN 14 Ca 0.12 0.97 -0.28 0.00 -1.95 0.00 0.00 55.36 54.22 2jqo s GLN 14 Cb -0.12 -3.68 0.03 0.00 -0.22 0.00 0.00 33.01 29.01 2jqo s GLN 14 CO 0.01 -0.65 1.07 -1.12 -0.25 0.00 0.00 175.29 174.35 2jqo s SER 15 N 1.44 6.68 -0.08 5.90 0.01 -1.26 -2.31 113.70 124.08 2jqo s SER 15 Ca 0.38 0.56 0.01 0.00 1.31 0.00 0.00 55.95 58.20 2jqo s SER 15 Cb -0.14 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.58 2jqo s SER 15 CO 0.10 -1.10 -0.07 -0.22 0.41 0.00 0.00 173.24 172.35 2jqo s LEU 16 N 4.08 1.28 -0.10 2.44 1.98 0.39 -4.99 118.68 123.76 2jqo s LEU 16 Ca 0.45 -0.24 -0.17 0.00 -2.89 0.00 0.00 54.13 51.28 2jqo s LEU 16 Cb -0.09 -0.71 -0.05 0.00 0.66 0.00 0.00 46.19 46.00 2jqo s LEU 16 CO 0.26 -0.07 0.44 0.54 -1.89 0.00 0.00 176.35 175.63 2jqo s VAL 17 N 1.27 5.16 0.14 1.68 0.11 -1.26 0.17 120.40 127.66 2jqo s VAL 17 Ca -0.04 0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 59.78 2jqo s VAL 17 Cb -0.14 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 2jqo s VAL 17 CO -0.03 0.39 0.28 -0.83 -3.33 0.00 0.00 175.10 171.59 2jqo s GLY 18 N 0.21 0.22 -0.20 6.54 0.00 0.03 -4.63 107.32 109.48 2jqo s GLY 18 Ca 0.24 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 2jqo s GLY 18 CO 0.10 -0.73 0.04 -0.19 0.00 0.00 0.00 173.10 172.33 2jqo s TYR 19 N -3.91 3.13 -0.46 1.90 1.51 -0.95 -1.28 117.35 117.30 2jqo s TYR 19 Ca 0.11 -0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 55.68 2jqo s TYR 19 Cb 0.03 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2jqo s TYR 19 CO -0.05 -0.09 1.53 0.08 -1.11 0.00 0.00 175.55 175.91 2jqo s VAL 20 N 0.86 3.73 0.00 0.71 1.01 0.16 -1.89 120.40 124.98 2jqo s VAL 20 Ca 0.03 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2jqo s VAL 20 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2jqo s VAL 20 CO 0.02 -0.82 0.00 0.55 0.00 0.00 0.00 175.10 174.85 2jqo n VAL 21 N 7.10 0.00 -4.49 2.92 3.14 -1.18 0.79 118.33 126.62 2jqo n VAL 21 Ca 0.17 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.33 2jqo n VAL 21 Cb 0.48 -0.88 -0.14 0.00 -1.06 0.00 0.00 33.84 32.24 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2jqo s LEU 22 N -4.18 2.16 -0.06 6.55 1.43 -1.02 -4.72 118.68 118.84 2jqo s LEU 22 Ca 0.00 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2jqo s LEU 22 Cb 0.00 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 2jqo s LEU 22 CO 0.00 0.09 -0.23 -0.54 0.23 0.00 0.00 176.35 175.90 2jqo s LYS 23 N -1.11 2.56 -0.05 1.70 1.02 -1.26 -0.90 119.74 121.70 2jqo s LYS 23 Ca 0.04 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.12 2jqo s LYS 23 Cb -0.08 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 2jqo s LYS 23 CO 0.01 0.41 -0.07 -3.47 -0.92 0.00 0.00 175.35 171.31 2jqo n ASP 24 N 2.88 0.60 0.00 2.83 2.03 -0.62 -4.94 116.55 119.33 2jqo n ASP 24 Ca -0.17 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2jqo n ASP 24 Cb 0.52 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2jqo n ASP 24 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jqo n ASN 25 N -3.05 0.00 -0.05 1.67 5.15 -1.26 -4.87 115.26 112.85 2jqo n ASN 25 Ca -0.03 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.96 2jqo n ASN 25 Cb 0.11 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.20 2jqo n ASN 25 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jqo n GLU 26 N 0.00 0.75 -4.41 1.20 1.02 -1.26 -4.91 120.64 113.03 2jqo n GLU 26 Ca 0.00 -0.10 -0.24 0.00 -0.02 0.00 0.00 57.16 56.79 2jqo n GLU 26 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 2jqo n GLU 26 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jqo s ARG 27 N -2.97 1.84 -0.02 3.49 0.52 -1.26 -2.00 118.95 118.55 2jqo s ARG 27 Ca -0.08 -1.62 0.06 0.00 -0.52 0.00 0.00 55.73 53.57 2jqo s ARG 27 Cb 0.10 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 2jqo s ARG 27 CO 0.82 0.35 -0.20 0.00 0.02 0.00 0.00 175.30 176.29 2jqo s ALA 28 N -2.31 1.66 -0.40 2.13 0.00 -0.27 -1.59 121.76 120.99 2jqo s ALA 28 Ca 0.29 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 2jqo s ALA 28 Cb -0.06 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2jqo s ALA 28 CO 0.16 0.41 0.26 0.42 0.00 0.00 0.00 175.76 177.01 2jqo s ILE 29 N -0.46 4.89 0.02 0.00 1.01 -0.07 0.27 121.20 126.85 2jqo s ILE 29 Ca 0.07 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.93 2jqo s ILE 29 Cb -0.08 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2jqo s ILE 29 CO -0.01 -0.32 -0.12 -0.76 0.00 0.00 0.00 174.94 173.74 2jqo s LEU 30 N 1.60 2.92 -0.25 2.97 1.43 0.88 -2.45 118.68 125.78 2jqo s LEU 30 Ca 0.03 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 2jqo s LEU 30 Cb -0.20 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2jqo s LEU 30 CO 0.08 0.27 0.71 -0.63 0.23 0.00 0.00 176.35 177.01 2jqo s ILE 31 N -0.96 4.92 -0.22 -0.59 1.01 -0.79 0.04 121.20 124.60 2jqo s ILE 31 Ca 0.16 1.29 0.17 0.00 0.00 0.00 0.00 60.65 62.27 2jqo s ILE 31 Cb -0.11 -4.02 0.10 0.00 0.01 0.00 0.00 42.46 38.44 2jqo s ILE 31 CO 0.06 -0.03 1.39 0.71 0.00 0.00 0.00 174.94 177.07 2jqo h THR 32 N 5.43 0.57 -1.69 2.92 1.35 -1.07 -2.53 112.91 117.91 2jqo h THR 32 Ca -0.25 -1.84 -0.54 0.00 -0.55 0.00 0.00 66.41 63.22 2jqo h THR 32 Cb 1.11 2.23 -0.08 0.00 -1.73 0.00 0.00 68.15 69.67 2jqo h THR 32 CO 0.82 0.33 1.24 -0.62 -0.25 0.00 0.00 175.52 177.04 2jqo s ASP 33 N -6.26 6.16 -0.81 5.36 2.15 -1.13 -4.87 116.67 117.28 2jqo s ASP 33 Ca 0.04 -0.83 -0.25 0.00 0.43 0.00 0.00 52.55 51.94 2jqo s ASP 33 Cb 0.07 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 40.03 2jqo s ASP 33 CO 0.74 -1.81 2.23 0.28 -0.17 0.00 0.00 175.17 176.44 2jqo s THR 34 N 5.99 3.18 -0.01 1.71 -1.32 -1.26 -4.87 115.64 119.06 2jqo s THR 34 Ca 0.45 -0.13 0.01 0.00 -1.21 0.00 0.00 61.69 60.80 2jqo s THR 34 Cb -0.05 -3.40 0.01 0.00 -1.51 0.00 0.00 72.50 67.55 2jqo s THR 34 CO 0.04 -0.38 -0.01 -0.75 -2.21 0.00 0.00 174.62 171.31 2jqo s LYS 35 N 8.15 0.19 -0.26 7.08 2.47 -1.26 -5.11 119.74 131.00 2jqo s LYS 35 Ca 0.84 0.00 -0.29 0.00 -1.56 0.00 0.00 55.97 54.96 2jqo s LYS 35 Cb -0.11 -0.28 -0.02 0.00 -1.46 0.00 0.00 37.83 35.96 2jqo s LYS 35 CO 0.06 -0.04 1.66 0.00 0.16 0.00 0.00 175.35 177.19 2jqo s ALA 36 N 0.42 3.15 0.68 3.13 0.00 -1.26 -4.99 121.76 122.90 2jqo s ALA 36 Ca -0.04 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 2jqo s ALA 36 Cb -0.06 -3.90 0.01 0.00 0.00 0.00 0.00 23.12 19.16 2jqo s ALA 36 CO -0.01 -2.16 1.07 -2.14 0.00 0.00 0.00 175.76 172.52 2jqo s PRO 37 N 4.97 2.87 0.74 0.00 0.02 -1.26 -5.05 135.00 137.29 2jqo s PRO 37 Ca 0.74 1.12 -0.10 0.00 0.02 0.00 0.00 61.00 62.78 2jqo s PRO 37 Cb -0.24 -1.98 0.06 0.00 0.02 0.00 0.00 34.50 32.37 2jqo s PRO 37 CO 0.31 -1.17 1.09 0.20 -0.33 0.00 0.00 177.00 177.10 2jqo s GLY 38 N -3.30 1.63 0.47 0.52 0.00 -1.26 -4.92 107.32 100.46 2jqo s GLY 38 Ca 0.61 -0.72 0.19 0.00 0.00 0.00 0.00 44.72 44.81 2jqo s GLY 38 CO 0.49 -0.28 2.02 1.70 0.00 0.00 0.00 173.10 177.02 2jqo h LYS 39 N -0.79 0.00 0.00 2.90 3.64 -2.00 -0.79 116.57 119.53 2jqo h LYS 39 Ca -0.45 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.78 2jqo h LYS 39 Cb 1.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 2jqo h LYS 39 CO 0.63 0.17 -0.77 0.93 -2.27 0.00 0.00 179.45 178.14 2jqo h GLU 40 N 0.00 0.00 -0.34 1.90 5.08 -1.99 -3.22 114.58 116.01 2jqo h GLU 40 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jqo h GLU 40 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2jqo h GLU 40 CO 0.02 0.61 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.16 2jqo h ASP 41 N 0.00 0.52 0.76 1.42 5.19 -1.51 0.60 116.42 123.39 2jqo h ASP 41 Ca -0.03 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2jqo h ASP 41 Cb 1.53 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.90 2jqo h ASP 41 CO 0.08 0.62 0.00 1.88 -3.12 0.00 0.00 179.24 178.70 2jqo h TYR 42 N 0.51 0.00 0.00 4.55 0.05 -1.47 -2.58 116.97 118.03 2jqo h TYR 42 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2jqo h TYR 42 Cb 0.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.14 2jqo h TYR 42 CO 0.01 0.00 -1.31 0.09 -1.05 0.00 0.00 178.16 175.90 2jqo n ASN 43 N -2.48 0.52 -4.74 3.88 3.02 0.08 -4.95 115.26 110.59 2jqo n ASN 43 Ca 0.01 0.03 -0.35 0.00 -0.03 0.00 0.00 54.58 54.25 2jqo n ASN 43 Cb 0.24 1.04 0.07 0.00 -0.61 0.00 0.00 39.78 40.52 2jqo n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqo s LEU 44 N -4.60 3.43 0.79 3.41 1.43 -0.48 -5.01 118.68 117.66 2jqo s LEU 44 Ca -0.01 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 2jqo s LEU 44 Cb 0.13 -4.59 0.07 0.00 0.03 0.00 0.00 46.19 41.82 2jqo s LEU 44 CO 0.83 -1.99 1.12 -0.94 0.23 0.00 0.00 176.35 175.60 2jqo s SER 45 N -1.94 4.62 0.14 2.29 1.04 -1.26 -4.83 113.70 113.76 2jqo s SER 45 Ca 0.75 1.09 -0.22 0.00 0.48 0.00 0.00 55.95 58.04 2jqo s SER 45 Cb -0.29 -1.77 0.01 0.00 0.10 0.00 0.00 66.02 64.07 2jqo s SER 45 CO 0.41 -1.87 1.64 -0.08 0.98 0.00 0.00 173.24 174.33 2jqo h GLU 46 N -1.02 -0.23 -0.71 4.02 4.81 -1.99 -1.06 114.58 118.41 2jqo h GLU 46 Ca -0.47 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2jqo h GLU 46 Cb 1.29 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 2jqo h GLU 46 CO 0.62 -0.15 0.38 0.78 -0.73 0.00 0.00 179.01 179.92 2jqo h GLY 47 N -0.24 1.07 1.34 1.92 0.00 -1.97 -1.00 103.07 104.19 2jqo h GLY 47 Ca 0.12 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 2jqo h GLY 47 CO -0.32 0.47 -0.25 1.46 0.00 0.00 0.00 176.54 177.89 2jqo h GLN 48 N 0.98 0.75 -0.15 4.80 1.08 -1.83 -0.53 115.11 120.22 2jqo h GLN 48 Ca 0.25 -0.31 -0.14 0.00 -1.45 0.00 0.00 58.65 57.00 2jqo h GLN 48 Cb 0.05 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2jqo h GLN 48 CO -0.04 0.92 -0.49 -0.07 -0.95 0.00 0.00 178.83 178.20 2jqo h LEU 49 N 0.65 0.42 -0.58 1.46 3.38 -1.00 0.68 115.31 120.31 2jqo h LEU 49 Ca 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jqo h LEU 49 Cb 0.76 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2jqo h LEU 49 CO 0.06 0.85 0.00 0.24 0.09 0.00 0.00 178.44 179.68 2jqo h MET 50 N 0.31 0.00 0.11 1.13 2.86 -0.71 -0.99 114.93 117.64 2jqo h MET 50 Ca 0.01 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.29 2jqo h MET 50 Cb 0.98 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 2jqo h MET 50 CO 0.08 0.00 -2.03 0.09 1.06 0.00 0.00 176.91 176.12 2jqo n ASN 51 N -2.41 2.11 -0.04 1.22 3.02 -0.25 -2.80 115.26 116.12 2jqo n ASN 51 Ca 0.03 0.19 -0.12 0.00 -0.03 0.00 0.00 54.58 54.64 2jqo n ASN 51 Cb 0.31 -0.83 -0.07 0.00 -0.61 0.00 0.00 39.78 38.58 2jqo n ASN 51 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2jqo h LYS 52 N 0.05 0.24 -1.51 3.52 3.64 -0.75 -3.11 116.57 118.65 2jqo h LYS 52 Ca -0.44 -0.09 -0.67 0.00 -1.27 0.00 0.00 60.65 58.18 2jqo h LYS 52 Cb 2.01 -0.01 -0.34 0.00 -0.41 0.00 0.00 32.23 33.48 2jqo h LYS 52 CO 0.07 0.53 0.25 1.19 -2.27 0.00 0.00 179.45 179.22 2jqo n PHE 53 N -4.74 3.13 -1.68 1.91 3.01 -0.39 -5.04 117.46 113.66 2jqo n PHE 53 Ca -0.06 -2.67 -0.45 0.00 1.01 0.00 0.00 57.45 55.28 2jqo n PHE 53 Cb 0.24 -0.79 -0.04 0.00 -0.01 0.00 0.00 39.48 38.89 2jqo n PHE 53 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2jqo n LYS 54 N -0.61 2.27 -0.33 -1.08 4.81 -1.12 -1.17 118.16 120.92 2jqo n LYS 54 Ca 0.50 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.75 2jqo n LYS 54 Cb 0.53 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.00 2jqo n LYS 54 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jqo n ASN 55 N 3.21 0.00 -0.95 3.14 3.02 -1.26 -4.67 115.26 117.75 2jqo n ASN 55 Ca 0.15 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.79 2jqo n ASN 55 Cb 0.31 -1.05 0.22 0.00 -0.61 0.00 0.00 39.78 38.65 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jqo n ASN 56 N 0.00 3.36 -4.20 6.41 3.02 -0.32 -4.91 115.26 118.62 2jqo n ASN 56 Ca 0.00 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 2jqo n ASN 56 Cb 0.00 -0.34 -0.17 0.00 -0.61 0.00 0.00 39.78 38.66 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2jqo s ILE 57 N -1.01 2.01 -0.03 2.41 2.07 -1.04 -0.52 121.20 125.08 2jqo s ILE 57 Ca 0.34 -0.98 0.06 0.00 -1.41 0.00 0.00 60.65 58.67 2jqo s ILE 57 Cb 0.18 -1.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.01 2jqo s ILE 57 CO 0.23 0.55 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.89 2jqo s VAL 58 N 0.49 1.85 -0.41 4.00 1.01 0.11 -4.42 120.40 123.03 2jqo s VAL 58 Ca -0.15 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.67 2jqo s VAL 58 Cb -0.17 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.67 2jqo s VAL 58 CO 0.06 0.52 0.46 -0.63 0.00 0.00 0.00 175.10 175.51 2jqo s ILE 59 N -0.34 5.06 0.03 2.22 1.01 -0.71 -0.09 121.20 128.38 2jqo s ILE 59 Ca 0.03 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 2jqo s ILE 59 Cb -0.11 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 2jqo s ILE 59 CO 0.01 -0.38 0.50 0.68 0.00 0.00 0.00 174.94 175.75 2jqo s VAL 60 N 2.23 4.89 -0.39 2.92 -7.23 0.14 -0.83 120.40 122.13 2jqo s VAL 60 Ca 0.14 1.06 -0.23 0.00 -1.81 0.00 0.00 61.98 61.13 2jqo s VAL 60 Cb -0.16 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 32.97 2jqo s VAL 60 CO 0.14 0.54 0.79 -0.83 -0.31 0.00 0.00 175.10 175.43 2jqo s GLY 61 N -0.93 1.63 -0.27 2.32 0.00 0.87 -1.11 107.32 109.83 2jqo s GLY 61 Ca 0.27 -0.75 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 2jqo s GLY 61 CO 0.16 1.78 2.33 1.04 0.00 0.00 0.00 173.10 178.41 2jqo n LEU 62 N 6.53 6.20 -0.15 0.66 4.77 -0.85 -1.23 117.00 132.93 2jqo n LEU 62 Ca 0.03 -3.33 -0.07 0.00 -0.03 0.00 0.00 56.01 52.61 2jqo n LEU 62 Cb 0.48 -1.14 0.02 0.00 -2.33 0.00 0.00 43.42 40.45 2jqo n LEU 62 CO 0.55 1.35 1.06 -1.28 -1.33 0.00 0.00 177.39 177.74 2jqo h SER 63 N 1.89 0.50 -0.29 -1.43 0.87 -1.77 -1.71 113.55 111.61 2jqo h SER 63 Ca 0.26 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2jqo h SER 63 Cb 0.94 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2jqo h SER 63 CO 0.63 0.36 0.00 -0.62 -0.53 0.00 0.00 176.83 176.67 2jqo n GLU 64 N -4.79 1.78 -4.27 2.24 4.71 -1.25 -4.76 120.64 114.29 2jqo n GLU 64 Ca 0.02 -1.08 -0.34 0.00 -0.01 0.00 0.00 57.16 55.75 2jqo n GLU 64 Cb 0.04 -1.29 -0.10 0.00 -1.01 0.00 0.00 31.44 29.08 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2jqo s ILE 65 N -1.62 4.36 -0.06 -3.67 -1.09 -0.64 -4.91 121.20 113.57 2jqo s ILE 65 Ca 0.20 -0.21 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 2jqo s ILE 65 Cb 0.11 -2.89 -0.00 0.00 -1.58 0.00 0.00 42.46 38.09 2jqo s ILE 65 CO 0.13 0.53 -0.02 -0.78 -1.23 0.00 0.00 174.94 173.57 2jqo h ASP 66 N 6.01 0.00 -4.43 3.58 3.58 -1.86 -3.47 116.42 119.83 2jqo h ASP 66 Ca -0.41 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.42 2jqo h ASP 66 Cb 1.19 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.94 2jqo h ASP 66 CO 0.61 0.32 -0.86 0.54 -2.88 0.00 0.00 179.24 176.98 2jqo s ASN 67 N -4.54 2.50 -0.28 2.28 4.22 -1.26 -5.04 114.94 112.83 2jqo s ASN 67 Ca -0.02 -0.40 0.10 0.00 -2.14 0.00 0.00 52.86 50.40 2jqo s ASN 67 Cb 0.00 -0.27 0.53 0.00 1.28 0.00 0.00 41.25 42.79 2jqo s ASN 67 CO 0.03 0.25 1.49 0.35 -2.04 0.00 0.00 177.10 177.18 2jqo n THR 68 N 2.46 2.55 0.19 0.54 -2.24 -1.26 -4.66 114.28 111.86 2jqo n THR 68 Ca -0.16 -2.49 0.07 0.00 -2.27 0.00 0.00 64.05 59.20 2jqo n THR 68 Cb 0.53 -0.32 0.34 0.00 -2.10 0.00 0.00 70.33 68.78 2jqo n THR 68 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2jqo h ASP 69 N 1.17 0.00 0.93 3.42 5.19 -1.99 -2.84 116.42 122.30 2jqo h ASP 69 Ca 0.21 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2jqo h ASP 69 Cb 1.71 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.21 2jqo h ASP 69 CO 0.41 0.33 -0.53 0.44 -3.12 0.00 0.00 179.24 176.78 2jqo h ASP 70 N 0.00 0.00 -2.81 6.45 3.32 -2.06 -3.43 116.42 117.89 2jqo h ASP 70 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2jqo h ASP 70 Cb 0.91 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.47 2jqo h ASP 70 CO 0.04 0.53 0.91 -0.76 -1.72 0.00 0.00 179.24 178.24 2jqo s LEU 71 N -7.03 4.34 0.13 1.55 1.02 -1.07 -5.01 118.68 112.61 2jqo s LEU 71 Ca 0.01 2.28 0.08 0.00 0.02 0.00 0.00 54.13 56.52 2jqo s LEU 71 Cb 0.11 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.71 2jqo s LEU 71 CO 0.73 -0.79 -0.13 -0.54 0.02 0.00 0.00 176.35 175.63 2jqo s LYS 72 N 2.50 1.96 -0.27 1.70 1.02 -1.26 -5.07 119.74 120.31 2jqo s LYS 72 Ca 0.68 -1.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 2jqo s LYS 72 Cb -0.35 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2jqo s LYS 72 CO 0.29 0.48 1.70 1.03 -0.92 0.00 0.00 175.35 177.93 2jqo s ARG 73 N -2.32 3.58 0.00 1.68 0.52 -1.26 -2.29 118.95 118.86 2jqo s ARG 73 Ca 0.21 1.55 0.00 0.00 -0.52 0.00 0.00 55.73 56.97 2jqo s ARG 73 Cb -0.10 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 31.25 2jqo s ARG 73 CO 0.12 -1.56 0.00 0.41 0.02 0.00 0.00 175.30 174.29 2jqo n GLY 74 N 5.04 1.66 3.44 -3.53 0.00 0.24 -4.97 105.19 107.06 2jqo n GLY 74 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2jqo n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqo s GLU 75 N -0.60 1.59 -0.20 1.61 2.56 -0.97 -4.96 118.70 117.73 2jqo s GLU 75 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 54.97 53.60 2jqo s GLU 75 Cb 0.00 -1.97 -0.01 0.00 2.00 0.00 0.00 34.13 34.15 2jqo s GLU 75 CO 0.00 0.44 -0.05 0.21 -0.56 0.00 0.00 175.26 175.30 2jqo s LYS 76 N -2.29 3.42 0.06 4.30 2.20 -1.26 0.38 119.74 126.55 2jqo s LYS 76 Ca 0.18 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.21 2jqo s LYS 76 Cb -0.10 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2jqo s LYS 76 CO 0.09 -0.07 -0.12 0.96 -0.36 0.00 0.00 175.35 175.84 2jqo s ILE 77 N 1.14 0.95 -0.39 5.43 -4.36 -0.40 -1.00 121.20 122.57 2jqo s ILE 77 Ca 0.02 -1.21 -0.10 0.00 -0.26 0.00 0.00 60.65 59.10 2jqo s ILE 77 Cb -0.14 -0.93 0.05 0.00 1.25 0.00 0.00 42.46 42.68 2jqo s ILE 77 CO -0.01 -0.25 0.21 -0.75 0.24 0.00 0.00 174.94 174.39 2jqo s LYS 78 N -1.64 2.71 0.14 0.37 2.20 0.78 -0.79 119.74 123.51 2jqo s LYS 78 Ca -0.04 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 2jqo s LYS 78 Cb -0.10 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 2jqo s LYS 78 CO 0.02 -0.79 0.30 0.14 -0.36 0.00 0.00 175.35 174.66 2jqo s VAL 79 N 1.49 5.29 -0.23 4.02 -7.23 0.13 -0.05 120.40 123.82 2jqo s VAL 79 Ca 0.02 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.76 2jqo s VAL 79 Cb -0.21 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.08 2jqo s VAL 79 CO 0.04 -0.04 -0.13 0.26 -0.31 0.00 0.00 175.10 174.93 2jqo s TRP 80 N -1.71 2.92 0.03 2.82 0.51 0.39 -0.46 118.94 123.44 2jqo s TRP 80 Ca 0.36 -1.98 0.02 0.00 -2.12 0.00 0.00 56.10 52.39 2jqo s TRP 80 Cb -0.12 -1.85 -0.04 0.00 -0.81 0.00 0.00 33.47 30.66 2jqo s TRP 80 CO 0.28 -0.83 0.02 -0.59 -0.51 0.00 0.00 176.95 175.33 2jqo s PHE 81 N 1.22 3.10 -0.12 -1.98 -0.12 -0.98 -1.77 117.98 117.34 2jqo s PHE 81 Ca -0.04 0.07 0.20 0.00 -0.05 0.00 0.00 56.93 57.11 2jqo s PHE 81 Cb -0.17 -1.64 -0.28 0.00 -0.63 0.00 0.00 43.02 40.30 2jqo s PHE 81 CO -0.08 0.49 0.31 1.58 -0.05 0.00 0.00 175.22 177.47 2jqo n HIS 82 N 1.02 0.08 -3.50 3.49 -0.00 -0.89 -1.82 115.22 113.61 2jqo n HIS 82 Ca -0.12 0.03 -0.16 0.00 -0.00 0.00 0.00 57.72 57.46 2jqo n HIS 82 Cb 0.52 -0.78 -0.05 0.00 -0.00 0.00 0.00 29.99 29.68 2jqo n HIS 82 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 2jqo s THR 83 N -2.99 0.00 0.41 3.57 -1.32 -1.25 -4.97 115.64 109.09 2jqo s THR 83 Ca -0.09 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.47 2jqo s THR 83 Cb 0.10 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 2jqo s THR 83 CO 0.86 0.00 0.28 -0.13 -2.21 0.00 0.00 174.62 173.42 2jqo s ARG 84 N -1.84 2.39 -0.34 7.08 0.52 -1.26 -1.49 118.95 124.00 2jqo s ARG 84 Ca -0.08 -1.68 -0.00 0.00 -0.52 0.00 0.00 55.73 53.46 2jqo s ARG 84 Cb -0.00 -2.19 0.14 0.00 0.52 0.00 0.00 34.95 33.41 2jqo s ARG 84 CO 0.04 -0.14 0.21 0.21 0.02 0.00 0.00 175.30 175.64 2jqo s LYS 85 N -4.02 0.50 -0.47 3.54 2.20 0.13 -4.90 119.74 116.72 2jqo s LYS 85 Ca 0.44 -1.17 -0.26 0.00 -0.36 0.00 0.00 55.97 54.62 2jqo s LYS 85 Cb 0.00 -1.22 0.03 0.00 -1.51 0.00 0.00 37.83 35.13 2jqo s LYS 85 CO 0.25 -1.18 0.98 -2.00 -0.36 0.00 0.00 175.35 173.04 2jqo s GLU 86 N 1.25 3.56 0.00 4.03 2.12 -1.26 -0.32 118.70 128.09 2jqo s GLU 86 Ca 0.17 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2jqo s GLU 86 Cb -0.21 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.25 2jqo s GLU 86 CO -0.04 -1.28 0.46 0.45 -0.54 0.00 0.00 175.26 174.31 2jqo n SER 87 N 7.35 0.92 -2.56 -1.70 2.88 -1.26 -4.93 113.62 114.31 2jqo n SER 87 Ca 0.07 -0.99 -0.05 0.00 -1.33 0.00 0.00 58.87 56.58 2jqo n SER 87 Cb 0.49 0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 2jqo n SER 87 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jqo n ASN 88 N -0.03 -2.29 -4.76 -3.46 2.85 -1.26 -4.86 115.26 101.45 2jqo n ASN 88 Ca 0.00 1.46 -0.38 0.00 -0.11 0.00 0.00 54.58 55.55 2jqo n ASN 88 Cb 0.01 -5.19 0.01 0.00 1.24 0.00 0.00 39.78 35.85 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2jqo s PRO 89 N -0.64 3.57 0.34 1.20 0.02 -1.26 -5.11 135.00 133.13 2jqo s PRO 89 Ca -0.23 1.96 -0.29 0.00 0.02 0.00 0.00 61.00 62.46 2jqo s PRO 89 Cb 0.02 -2.39 -0.11 0.00 0.02 0.00 0.00 34.50 32.04 2jqo s PRO 89 CO 0.62 -0.76 1.45 -1.25 -0.33 0.00 0.00 177.00 176.73 2jqo s PRO 90 N -2.73 4.20 0.18 5.54 0.04 -1.26 -4.78 135.00 136.18 2jqo s PRO 90 Ca 0.66 2.44 0.05 0.00 0.04 0.00 0.00 61.00 64.19 2jqo s PRO 90 Cb -0.33 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2jqo s PRO 90 CO 0.40 -0.44 0.20 0.45 0.04 0.00 0.00 177.00 177.65 2jqo s SER 91 N -0.10 5.76 -0.23 6.66 0.15 0.57 -1.74 113.70 124.77 2jqo s SER 91 Ca 0.54 -0.07 -0.03 0.00 0.70 0.00 0.00 55.95 57.09 2jqo s SER 91 Cb -0.44 -1.57 0.11 0.00 -1.71 0.00 0.00 66.02 62.41 2jqo s SER 91 CO 0.56 0.04 0.29 0.00 1.20 0.00 0.00 173.24 175.32 2jqo s ALA 92 N -1.83 -0.58 -0.39 5.45 0.00 -0.01 0.17 121.76 124.58 2jqo s ALA 92 Ca 0.32 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 2jqo s ALA 92 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2jqo s ALA 92 CO 0.25 -1.30 1.52 0.99 0.00 0.00 0.00 175.76 177.22 2jqo s THR 93 N 2.41 3.78 0.03 0.00 2.01 -0.56 -0.09 115.64 123.22 2jqo s THR 93 Ca 0.09 0.80 -0.03 0.00 0.31 0.00 0.00 61.69 62.86 2jqo s THR 93 Cb -0.15 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2jqo s THR 93 CO -0.16 -0.66 0.23 0.27 -0.69 0.00 0.00 174.62 173.61 2jqo s ILE 94 N 5.82 5.36 -0.63 1.82 -4.36 -0.37 -2.08 121.20 126.77 2jqo s ILE 94 Ca 0.66 -0.13 0.11 0.00 -0.26 0.00 0.00 60.65 61.04 2jqo s ILE 94 Cb -0.16 -3.58 -0.10 0.00 1.25 0.00 0.00 42.46 39.87 2jqo s ILE 94 CO 0.33 0.25 0.51 0.00 0.24 0.00 0.00 174.94 176.27 2jqo n GLN 95 N 0.70 3.10 -3.57 0.37 6.02 -0.73 -3.89 117.38 119.39 2jqo n GLN 95 Ca -0.08 -0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 56.65 2jqo n GLN 95 Cb 0.52 -1.04 -0.06 0.00 1.02 0.00 0.00 30.24 30.68 2jqo n GLN 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2jqo s LYS 96 N -1.94 0.72 0.19 -1.09 2.20 -1.24 -4.79 119.74 113.80 2jqo s LYS 96 Ca 0.05 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2jqo s LYS 96 Cb 0.09 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2jqo s LYS 96 CO 0.42 -0.21 0.07 1.52 -0.36 0.00 0.00 175.35 176.79 2jqo s TYR 97 N -0.96 1.19 -0.06 4.03 -0.85 -1.26 -0.47 117.35 118.97 2jqo s TYR 97 Ca -0.04 -1.20 0.02 0.00 -0.52 0.00 0.00 57.07 55.33 2jqo s TYR 97 Cb -0.01 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.69 2jqo s TYR 97 CO 0.03 -0.43 -0.12 -2.00 -1.52 0.00 0.00 175.55 171.52 2jqo s GLU 98 N -4.04 1.56 -0.42 -3.49 2.12 0.93 -4.95 118.70 110.41 2jqo s GLU 98 Ca 0.31 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.96 2jqo s GLU 98 Cb 0.07 -1.32 0.02 0.00 0.26 0.00 0.00 34.13 33.17 2jqo s GLU 98 CO 0.08 0.05 1.17 -1.17 -0.54 0.00 0.00 175.26 174.84 2jqo s LEU 99 N 0.58 3.71 -0.02 2.70 2.96 -1.26 -0.16 118.68 127.20 2jqo s LEU 99 Ca -0.12 0.69 -0.27 0.00 -0.22 0.00 0.00 54.13 54.20 2jqo s LEU 99 Cb -0.15 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 2jqo s LEU 99 CO 0.03 -1.18 0.87 -0.76 -1.32 0.00 0.00 176.35 174.00 2jqo s LEU 100 N 4.37 4.36 -0.14 -0.68 1.43 -0.17 -4.97 118.68 122.88 2jqo s LEU 100 Ca 0.49 1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 54.94 2jqo s LEU 100 Cb -0.10 -3.39 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 2jqo s LEU 100 CO 0.28 -0.19 0.33 -0.76 0.23 0.00 0.00 176.35 176.24 2jqo s LEU 101 N 0.85 4.27 -0.37 1.79 1.43 -1.26 -4.54 118.68 120.83 2jqo s LEU 101 Ca 0.46 0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 53.87 2jqo s LEU 101 Cb -0.20 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2jqo s LEU 101 CO 0.24 0.10 1.86 -0.70 0.23 0.00 0.00 176.35 178.08 2jqo s GLU 102 N 0.38 3.16 -1.40 1.70 2.12 -1.26 -4.88 118.70 118.52 2jqo s GLU 102 Ca 0.19 1.33 -0.12 0.00 0.36 0.00 0.00 54.97 56.73 2jqo s GLU 102 Cb -0.14 -4.25 0.08 0.00 0.26 0.00 0.00 34.13 30.08 2jqo s GLU 102 CO 0.06 -2.07 2.14 0.72 -0.54 0.00 0.00 175.26 175.57 2jqo n HIS 103 N 10.98 3.26 -2.20 5.30 8.25 -1.26 -4.96 115.22 134.59 2jqo n HIS 103 Ca 0.23 -2.91 -0.34 0.00 -0.26 0.00 0.00 57.72 54.44 2jqo n HIS 103 Cb 0.48 -2.33 0.00 0.00 1.12 0.00 0.00 29.99 29.26 2jqo n HIS 103 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jqo s HIS 104 N 2.10 2.82 0.10 4.41 -3.43 -1.26 -4.95 115.29 115.09 2jqo s HIS 104 Ca 0.45 1.55 0.20 0.00 -0.80 0.00 0.00 55.06 56.47 2jqo s HIS 104 Cb 0.13 -3.15 0.70 0.00 -1.43 0.00 0.00 32.58 28.83 2jqo s HIS 104 CO -0.06 -1.29 1.73 0.45 -2.00 0.00 0.00 174.74 173.58 2jqo h HIS 105 N 0.92 0.00 -0.33 0.38 3.86 -1.94 -3.46 115.15 114.58 2jqo h HIS 105 Ca -0.49 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.58 2jqo h HIS 105 Cb 1.24 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.65 2jqo h HIS 105 CO 0.55 0.32 -0.13 1.58 0.86 0.00 0.00 177.93 181.11 2jqo n HIS 106 N -3.43 0.00 0.35 2.45 -0.00 -1.26 -4.85 115.22 108.48 2jqo n HIS 106 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 2jqo n HIS 106 Cb 0.50 -1.70 0.14 0.00 -0.12 0.00 0.00 29.99 28.81 2jqo n HIS 106 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jqo h HIS 107 N 0.00 0.00 0.00 1.57 6.17 -2.03 -3.57 115.15 117.29 2jqo h HIS 107 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.94 2jqo h HIS 107 Cb 0.65 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.58 2jqo h HIS 107 CO 0.32 0.00 0.00 0.72 0.71 0.00 0.00 177.93 179.68