#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn7 n SER 2 N 0.00 -4.96 0.00 7.83 7.64 -1.26 -2.31 113.62 120.57 2jn7 n SER 2 Ca 0.00 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.23 2jn7 n SER 2 Cb 0.00 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 2jn7 n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jn7 n ASN 3 N -2.74 0.00 -4.55 6.43 5.15 -1.26 -4.83 115.26 113.46 2jn7 n ASN 3 Ca 0.02 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.79 2jn7 n ASN 3 Cb 0.54 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.72 2jn7 n ASN 3 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2jn7 n THR 4 N 0.00 -0.03 -3.81 -0.44 -1.04 -0.98 -4.90 114.28 103.08 2jn7 n THR 4 Ca 0.00 -0.59 -0.36 0.00 -2.04 0.00 0.00 64.05 61.06 2jn7 n THR 4 Cb 0.00 -2.16 -0.10 0.00 -1.82 0.00 0.00 70.33 66.25 2jn7 n THR 4 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jn7 s THR 5 N 13.42 4.89 0.00 12.58 2.01 -1.26 -4.85 115.64 142.44 2jn7 s THR 5 Ca 0.97 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.98 2jn7 s THR 5 Cb -0.19 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.06 2jn7 s THR 5 CO 0.16 0.38 0.54 0.79 -0.69 0.00 0.00 174.62 175.81 2jn7 n TRP 6 N 4.21 0.00 0.00 4.92 7.02 -1.26 -4.73 117.44 127.60 2jn7 n TRP 6 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 2jn7 n TRP 6 Cb 0.52 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 2jn7 n TRP 6 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jn7 n GLY 7 N -0.76 -2.67 3.71 6.99 0.00 -1.26 -4.91 105.19 106.29 2jn7 n GLY 7 Ca 0.00 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 2jn7 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jn7 n LEU 8 N 0.00 5.38 -4.54 0.99 4.77 -1.26 -4.94 117.00 117.40 2jn7 n LEU 8 Ca 0.00 0.88 -0.43 0.00 -0.03 0.00 0.00 56.01 56.43 2jn7 n LEU 8 Cb 0.00 -1.53 -0.05 0.00 -2.33 0.00 0.00 43.42 39.51 2jn7 n LEU 8 CO 0.00 -1.03 0.56 -1.58 -1.33 0.00 0.00 177.39 174.01 2jn7 s GLN 9 N -3.07 3.43 -0.02 3.23 0.74 -1.26 -4.86 119.66 117.85 2jn7 s GLN 9 Ca 0.77 -0.07 0.01 0.00 0.05 0.00 0.00 55.36 56.12 2jn7 s GLN 9 Cb -0.40 -3.93 0.02 0.00 1.10 0.00 0.00 33.01 29.80 2jn7 s GLN 9 CO 0.45 -1.10 -0.01 1.03 -0.55 0.00 0.00 175.29 175.11 2jn7 s ARG 10 N 3.27 0.28 0.28 1.67 0.52 -1.26 -5.03 118.95 118.68 2jn7 s ARG 10 Ca 0.30 0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.53 2jn7 s ARG 10 Cb -0.12 -0.39 0.41 0.00 0.52 0.00 0.00 34.95 35.37 2jn7 s ARG 10 CO 0.22 -0.06 1.76 0.22 0.02 0.00 0.00 175.30 177.46 2jn7 h ASP 11 N 6.83 0.59 -2.51 0.23 3.58 -1.99 -3.43 116.42 119.72 2jn7 h ASP 11 Ca -0.37 -0.16 -0.53 0.00 0.42 0.00 0.00 57.03 56.39 2jn7 h ASP 11 Cb 1.16 -0.16 0.04 0.00 1.72 0.00 0.00 39.33 42.09 2jn7 h ASP 11 CO 0.49 0.75 1.10 -0.38 -2.88 0.00 0.00 179.24 178.32 2jn7 n ILE 12 N -4.18 0.33 -0.07 2.25 5.41 -1.26 -4.92 119.36 116.92 2jn7 n ILE 12 Ca 0.01 -0.06 -0.15 0.00 1.00 0.00 0.00 62.75 63.55 2jn7 n ILE 12 Cb 0.34 -2.12 -0.13 0.00 -0.71 0.00 0.00 39.64 37.03 2jn7 n ILE 12 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2jn7 h THR 13 N 4.59 1.70 -1.02 1.39 2.02 -2.04 -3.32 112.91 116.22 2jn7 h THR 13 Ca -0.46 -2.34 0.33 0.00 0.77 0.00 0.00 66.41 64.71 2jn7 h THR 13 Cb 1.22 3.27 -0.08 0.00 -1.74 0.00 0.00 68.15 70.82 2jn7 h THR 13 CO 0.95 0.58 0.69 -2.65 0.37 0.00 0.00 175.52 175.46 2jn7 n PRO 14 N -4.58 -0.02 -3.51 6.66 -0.02 -1.26 -4.17 135.00 128.11 2jn7 n PRO 14 Ca -0.13 0.77 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 2jn7 n PRO 14 Cb 0.51 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 2jn7 n PRO 14 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jn7 s ARG 15 N -4.50 3.96 -0.22 -0.52 0.52 -1.25 -4.72 118.95 112.22 2jn7 s ARG 15 Ca -0.04 0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.55 2jn7 s ARG 15 Cb 0.19 -3.26 0.04 0.00 0.52 0.00 0.00 34.95 32.44 2jn7 s ARG 15 CO 0.54 0.61 -0.15 -1.17 0.02 0.00 0.00 175.30 175.15 2jn7 s LEU 16 N -0.78 2.82 0.58 2.53 0.20 -1.14 -4.96 118.68 117.93 2jn7 s LEU 16 Ca 0.23 -1.03 -0.14 0.00 0.69 0.00 0.00 54.13 53.87 2jn7 s LEU 16 Cb -0.16 -1.52 -0.05 0.00 -0.43 0.00 0.00 46.19 44.03 2jn7 s LEU 16 CO 0.12 -0.10 1.02 -0.83 -0.29 0.00 0.00 176.35 176.27 2jn7 s GLY 17 N 1.19 1.91 -0.44 7.98 0.00 -1.26 -2.48 107.32 114.22 2jn7 s GLY 17 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.86 2jn7 s GLY 17 CO -0.09 0.41 0.98 0.00 0.00 0.00 0.00 173.10 174.41 2jn7 n ALA 18 N -2.18 -2.14 -2.40 3.20 0.00 -1.11 -4.64 120.51 111.23 2jn7 n ALA 18 Ca 0.07 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 2jn7 n ALA 18 Cb 0.54 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 2jn7 n ALA 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jn7 s ARG 19 N 0.55 4.41 0.17 0.00 3.52 -1.26 -4.11 118.95 122.23 2jn7 s ARG 19 Ca 0.30 1.78 0.10 0.00 -0.13 0.00 0.00 55.73 57.78 2jn7 s ARG 19 Cb 0.20 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 2jn7 s ARG 19 CO -0.18 -0.31 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.32 2jn7 s LEU 20 N 1.32 2.74 -0.13 -0.88 1.43 -1.25 -4.90 118.68 117.01 2jn7 s LEU 20 Ca 0.59 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2jn7 s LEU 20 Cb -0.29 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2jn7 s LEU 20 CO 0.28 0.12 0.18 0.68 0.23 0.00 0.00 176.35 177.85 2jn7 s VAL 21 N -1.59 5.41 -0.00 -1.59 -7.23 -1.26 -4.29 120.40 109.85 2jn7 s VAL 21 Ca 0.22 0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 2jn7 s VAL 21 Cb -0.09 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 2jn7 s VAL 21 CO 0.12 0.56 0.92 -1.58 -0.31 0.00 0.00 175.10 174.81 2jn7 s GLN 22 N -0.62 4.54 -0.29 4.82 -0.44 -1.25 -4.04 119.66 122.37 2jn7 s GLN 22 Ca 0.15 1.30 -0.13 0.00 -2.50 0.00 0.00 55.36 54.19 2jn7 s GLN 22 Cb -0.12 -3.45 0.11 0.00 -1.64 0.00 0.00 33.01 27.91 2jn7 s GLN 22 CO 0.04 0.00 0.68 -1.83 0.50 0.00 0.00 175.29 174.68 2jn7 s GLU 23 N 0.87 0.62 4.23 1.67 -1.05 -1.26 -4.99 118.70 118.78 2jn7 s GLU 23 Ca 0.48 1.33 0.00 0.00 -0.15 0.00 0.00 54.97 56.63 2jn7 s GLU 23 Cb -0.20 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 2jn7 s GLU 23 CO 0.26 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.71 2jn7 n GLY 24 N 4.96 1.16 1.24 -3.83 0.00 -1.26 -3.14 105.19 104.33 2jn7 n GLY 24 Ca -0.15 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.30 2jn7 n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jn7 n ASN 25 N -1.23 4.25 -4.00 1.61 3.02 -1.26 -4.94 115.26 112.71 2jn7 n ASN 25 Ca 0.00 -2.53 -0.15 0.00 -0.03 0.00 0.00 54.58 51.87 2jn7 n ASN 25 Cb 0.00 -0.51 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 2jn7 n ASN 25 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jn7 s GLN 26 N -1.98 0.48 -0.10 3.52 1.11 -1.19 -4.96 119.66 116.53 2jn7 s GLN 26 Ca 0.44 -0.39 -0.18 0.00 0.01 0.00 0.00 55.36 55.23 2jn7 s GLN 26 Cb 0.30 -0.39 -0.04 0.00 -1.01 0.00 0.00 33.01 31.86 2jn7 s GLN 26 CO 0.18 0.10 0.48 -0.51 0.01 0.00 0.00 175.29 175.55 2jn7 s LEU 27 N -0.63 4.30 -0.31 2.90 1.43 -1.26 -4.09 118.68 121.01 2jn7 s LEU 27 Ca -0.02 0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 53.70 2jn7 s LEU 27 Cb -0.05 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 2jn7 s LEU 27 CO 0.00 0.03 0.72 -2.28 0.23 0.00 0.00 176.35 175.05 2jn7 s HIS 28 N 0.45 3.20 -0.45 0.29 2.46 -1.26 -5.02 115.29 114.95 2jn7 s HIS 28 Ca 0.26 0.68 -0.15 0.00 0.47 0.00 0.00 55.06 56.32 2jn7 s HIS 28 Cb -0.15 -3.15 0.06 0.00 -0.13 0.00 0.00 32.58 29.21 2jn7 s HIS 28 CO 0.11 -0.55 0.36 -0.47 -2.47 0.00 0.00 174.74 171.72 2jn7 s TYR 29 N 2.83 3.24 -0.41 3.88 6.14 -1.26 -4.45 117.35 127.33 2jn7 s TYR 29 Ca 0.29 -0.83 -0.21 0.00 0.64 0.00 0.00 57.07 56.97 2jn7 s TYR 29 Cb -0.14 -2.99 0.02 0.00 0.42 0.00 0.00 41.96 39.27 2jn7 s TYR 29 CO 0.13 -0.73 0.65 -0.51 0.64 0.00 0.00 175.55 175.72 2jn7 s LEU 30 N 1.65 4.39 0.38 6.97 1.02 -1.26 -4.92 118.68 126.91 2jn7 s LEU 30 Ca 0.04 -0.14 0.06 0.00 0.02 0.00 0.00 54.13 54.11 2jn7 s LEU 30 Cb -0.23 -2.76 0.77 0.00 0.02 0.00 0.00 46.19 43.99 2jn7 s LEU 30 CO 0.08 -0.72 2.03 0.00 0.02 0.00 0.00 176.35 177.76 2jn7 h ALA 31 N 8.73 1.67 0.00 4.21 0.00 -1.99 0.14 119.26 132.01 2jn7 h ALA 31 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jn7 h ALA 31 Cb 1.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jn7 h ALA 31 CO 0.88 0.29 0.00 -0.25 0.00 0.00 0.00 179.25 180.17 2jn7 n ASP 32 N -4.46 0.00 -3.40 0.00 8.00 -1.26 -3.66 116.55 111.77 2jn7 n ASP 32 Ca 0.06 0.32 -0.34 0.00 0.71 0.00 0.00 54.79 55.54 2jn7 n ASP 32 Cb 0.09 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 2jn7 n ASP 32 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2jn7 n ARG 33 N -1.42 4.04 -3.82 -1.24 0.63 0.47 -4.99 116.66 110.33 2jn7 n ARG 33 Ca 0.06 -4.73 -0.01 0.00 -0.92 0.00 0.00 57.85 52.25 2jn7 n ARG 33 Cb 0.18 -2.36 0.01 0.00 0.45 0.00 0.00 32.46 30.73 2jn7 n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jn7 s ALA 34 N -3.50 -1.90 -0.02 5.13 0.00 -1.24 -4.74 121.76 115.49 2jn7 s ALA 34 Ca 0.42 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.41 2jn7 s ALA 34 Cb 0.20 0.67 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2jn7 s ALA 34 CO -0.08 -1.07 0.06 0.45 0.00 0.00 0.00 175.76 175.11 2jn7 s SER 35 N -3.28 -0.04 0.23 0.00 0.15 -1.26 -5.03 113.70 104.46 2jn7 s SER 35 Ca 0.19 0.11 -0.25 0.00 0.70 0.00 0.00 55.95 56.70 2jn7 s SER 35 Cb -0.00 0.09 -0.09 0.00 -1.71 0.00 0.00 66.02 64.31 2jn7 s SER 35 CO 0.02 -0.04 0.84 -0.63 1.20 0.00 0.00 173.24 174.62 2jn7 s ILE 36 N 0.24 4.30 0.04 6.45 -1.09 -1.26 -4.89 121.20 124.99 2jn7 s ILE 36 Ca -0.02 1.74 0.04 0.00 -2.23 0.00 0.00 60.65 60.18 2jn7 s ILE 36 Cb -0.03 -4.10 -0.02 0.00 -1.58 0.00 0.00 42.46 36.73 2jn7 s ILE 36 CO -0.01 0.38 -0.11 0.42 -1.23 0.00 0.00 174.94 174.39 2jn7 s THR 37 N -1.33 0.83 0.00 2.92 -4.23 -1.26 -4.75 115.64 107.82 2jn7 s THR 37 Ca 0.41 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2jn7 s THR 37 Cb -0.22 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2jn7 s THR 37 CO 0.26 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2jn7 n GLY 38 N 1.88 1.29 2.94 3.99 0.00 -1.26 -4.30 105.19 109.73 2jn7 n GLY 38 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 2jn7 n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jn7 n LYS 39 N -2.00 -2.03 -2.23 1.61 5.02 -1.26 -4.88 118.16 112.38 2jn7 n LYS 39 Ca 0.00 1.87 -0.41 0.00 -2.02 0.00 0.00 58.31 57.75 2jn7 n LYS 39 Cb 0.00 -3.39 -0.03 0.00 -0.02 0.00 0.00 35.03 31.59 2jn7 n LYS 39 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2jn7 s PHE 40 N -1.37 3.22 0.98 2.13 0.08 -1.26 -5.02 117.98 116.75 2jn7 s PHE 40 Ca 0.01 1.51 -0.13 0.00 0.12 0.00 0.00 56.93 58.43 2jn7 s PHE 40 Cb -0.00 -3.55 0.18 0.00 -0.57 0.00 0.00 43.02 39.08 2jn7 s PHE 40 CO 0.44 -1.43 1.13 -1.54 -0.10 0.00 0.00 175.22 173.71 2jn7 s SER 41 N -0.60 2.85 0.55 1.36 1.04 -1.26 -4.66 113.70 112.99 2jn7 s SER 41 Ca 0.48 0.97 0.36 0.00 0.48 0.00 0.00 55.95 58.24 2jn7 s SER 41 Cb -0.37 -1.53 1.69 0.00 0.10 0.00 0.00 66.02 65.91 2jn7 s SER 41 CO 0.49 -2.96 2.08 0.44 0.98 0.00 0.00 173.24 174.26 2jn7 h ASP 42 N -1.78 0.00 0.43 7.02 3.32 -2.00 0.24 116.42 123.65 2jn7 h ASP 42 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2jn7 h ASP 42 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2jn7 h ASP 42 CO 0.57 0.00 -0.64 0.00 -1.72 0.00 0.00 179.24 177.44 2jn7 n ALA 43 N -2.04 3.70 -0.03 3.45 0.00 -1.26 -4.14 120.51 120.19 2jn7 n ALA 43 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.05 2jn7 n ALA 43 Cb 0.21 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 2jn7 n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jn7 n GLU 44 N -1.58 1.18 -0.07 0.00 1.02 -0.62 -4.40 120.64 116.17 2jn7 n GLU 44 Ca 0.05 -0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 2jn7 n GLU 44 Cb 0.35 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.44 2jn7 n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jn7 h PRO 46 N 0.12 -0.54 -0.56 0.00 0.11 -1.82 -2.42 132.00 126.88 2jn7 h PRO 46 Ca 0.05 0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.25 2jn7 h PRO 46 Cb 0.49 0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.67 2jn7 h PRO 46 CO 0.02 -0.27 0.29 -0.22 -0.21 0.00 0.00 178.00 177.61 2jn7 h LYS 47 N -0.75 0.54 -0.97 1.05 3.64 -1.77 -2.04 116.57 116.27 2jn7 h LYS 47 Ca -0.06 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2jn7 h LYS 47 Cb 0.53 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 2jn7 h LYS 47 CO 0.09 0.35 0.63 1.25 -2.27 0.00 0.00 179.45 179.51 2jn7 h LEU 48 N 0.55 1.12 -2.64 5.20 5.85 -1.43 -0.11 115.31 123.85 2jn7 h LEU 48 Ca 0.25 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2jn7 h LEU 48 Cb 0.16 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2jn7 h LEU 48 CO -0.17 0.82 -0.00 0.44 -0.34 0.00 0.00 178.44 179.18 2jn7 h ASP 49 N 1.32 0.00 0.67 1.25 3.32 -0.85 -0.70 116.42 121.44 2jn7 h ASP 49 Ca 0.35 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 2jn7 h ASP 49 Cb -0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2jn7 h ASP 49 CO -0.07 0.00 -1.38 0.52 -1.72 0.00 0.00 179.24 176.59 2jn7 n VAL 50 N -3.11 0.68 0.71 -1.35 0.31 -0.12 -3.94 118.33 111.51 2jn7 n VAL 50 Ca -0.02 -0.59 0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2jn7 n VAL 50 Cb 0.12 -0.38 0.29 0.00 -0.91 0.00 0.00 33.84 32.96 2jn7 n VAL 50 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2jn7 n VAL 51 N -2.65 0.31 0.36 2.52 0.31 -0.36 -4.12 118.33 114.69 2jn7 n VAL 51 Ca -0.05 -0.20 -0.15 0.00 -0.01 0.00 0.00 64.34 63.93 2jn7 n VAL 51 Cb 0.66 -0.21 -0.07 0.00 -0.91 0.00 0.00 33.84 33.31 2jn7 n VAL 51 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2jn7 h PHE 52 N 0.00 -0.87 -0.20 3.52 0.04 -1.43 -3.11 116.94 114.88 2jn7 h PHE 52 Ca 0.00 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.81 2jn7 h PHE 52 Cb 0.67 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 2jn7 h PHE 52 CO 0.00 -0.52 0.26 -1.00 -0.60 0.00 0.00 178.31 176.45 2jn7 h PRO 53 N -1.21 0.00 0.00 1.51 0.13 -1.77 -0.43 132.00 130.24 2jn7 h PRO 53 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2jn7 h PRO 53 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2jn7 h PRO 53 CO 0.16 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.65 2jn7 n HIS 54 N -3.63 0.00 0.00 1.56 8.25 -1.18 -1.75 115.22 118.47 2jn7 n HIS 54 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2jn7 n HIS 54 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2jn7 n HIS 54 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2jn7 n PHE 55 N -0.81 0.00 -0.18 4.41 3.01 -0.20 -4.71 117.46 118.99 2jn7 n PHE 55 Ca 0.05 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.41 2jn7 n PHE 55 Cb 0.02 0.03 0.01 0.00 -0.01 0.00 0.00 39.48 39.53 2jn7 n PHE 55 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2jn7 h ILE 56 N 0.00 1.25 -0.84 4.37 2.04 -1.37 -1.77 117.51 121.19 2jn7 h ILE 56 Ca 0.00 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 64.99 2jn7 h ILE 56 Cb 0.40 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 2jn7 h ILE 56 CO 0.00 0.33 0.51 0.77 0.00 0.00 0.00 178.15 179.77 2jn7 h SER 57 N 0.73 0.81 0.43 1.72 4.64 -1.62 0.15 113.55 120.40 2jn7 h SER 57 Ca 0.16 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 2jn7 h SER 57 Cb 0.39 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2jn7 h SER 57 CO 0.01 0.52 -0.21 1.56 -0.87 0.00 0.00 176.83 177.84 2jn7 h GLN 58 N 0.94 -0.55 -0.57 4.77 4.20 -1.70 -2.68 115.11 119.51 2jn7 h GLN 58 Ca 0.37 0.04 0.07 0.00 0.06 0.00 0.00 58.65 59.19 2jn7 h GLN 58 Cb 0.17 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 2jn7 h GLN 58 CO -0.17 -0.24 0.24 0.82 -0.67 0.00 0.00 178.83 178.80 2jn7 h ILE 59 N -0.93 0.84 -0.96 2.54 5.03 -1.19 0.19 117.51 123.04 2jn7 h ILE 59 Ca -0.06 -0.15 0.18 0.00 -0.12 0.00 0.00 64.86 64.71 2jn7 h ILE 59 Cb 0.56 0.36 -0.09 0.00 -3.03 0.00 0.00 36.82 34.63 2jn7 h ILE 59 CO 0.10 0.08 0.61 -0.08 -0.68 0.00 0.00 178.15 178.17 2jn7 h GLU 60 N 0.44 0.65 0.01 2.37 4.81 -0.71 -0.07 114.58 122.10 2jn7 h GLU 60 Ca 0.28 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.26 2jn7 h GLU 60 Cb 0.28 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2jn7 h GLU 60 CO -0.25 0.43 -0.91 0.66 -0.73 0.00 0.00 179.01 178.21 2jn7 h SER 61 N 0.67 0.21 -0.43 1.04 4.64 -0.68 -3.19 113.55 115.81 2jn7 h SER 61 Ca 0.51 -0.18 0.10 0.00 -0.47 0.00 0.00 61.79 61.75 2jn7 h SER 61 Cb 0.91 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 2jn7 h SER 61 CO -0.27 1.01 0.30 0.24 -0.87 0.00 0.00 176.83 177.24 2jn7 h MET 62 N 0.08 0.13 -0.65 4.77 2.86 0.61 0.83 114.93 123.56 2jn7 h MET 62 Ca -0.04 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2jn7 h MET 62 Cb 1.56 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.16 2jn7 h MET 62 CO 0.14 0.08 0.34 -0.07 1.06 0.00 0.00 176.91 178.46 2jn7 h LEU 63 N 0.13 0.81 0.00 1.22 3.38 -1.49 1.03 115.31 120.40 2jn7 h LEU 63 Ca 0.20 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2jn7 h LEU 63 Cb 0.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2jn7 h LEU 63 CO -0.03 0.67 -0.72 0.41 0.09 0.00 0.00 178.44 178.87 2jn7 n THR 64 N -4.36 1.44 -0.14 0.22 -1.04 0.02 -2.56 114.28 107.86 2jn7 n THR 64 Ca 0.06 0.17 -0.11 0.00 -2.04 0.00 0.00 64.05 62.13 2jn7 n THR 64 Cb 0.11 -2.34 -0.01 0.00 -1.82 0.00 0.00 70.33 66.27 2jn7 n THR 64 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2jn7 h THR 65 N -1.00 1.27 0.00 12.58 2.02 0.50 -2.84 112.91 125.43 2jn7 h THR 65 Ca -0.05 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2jn7 h THR 65 Cb 0.69 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2jn7 h THR 65 CO -0.03 0.36 -0.19 0.61 0.37 0.00 0.00 175.52 176.64 2jn7 n GLY 66 N -0.31 -1.43 3.34 2.16 0.00 0.33 -4.99 105.19 104.30 2jn7 n GLY 66 Ca -0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2jn7 n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jn7 n GLU 67 N -1.58 -1.93 -3.02 1.61 1.02 0.21 -4.89 120.64 112.06 2jn7 n GLU 67 Ca 0.06 1.51 -0.40 0.00 -0.02 0.00 0.00 57.16 58.31 2jn7 n GLU 67 Cb 0.35 -3.41 -0.05 0.00 -0.02 0.00 0.00 31.44 28.31 2jn7 n GLU 67 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jn7 s LEU 68 N -3.08 4.24 0.01 -4.62 1.98 -1.06 -5.01 118.68 111.14 2jn7 s LEU 68 Ca 0.25 1.11 -0.09 0.00 -2.89 0.00 0.00 54.13 52.51 2jn7 s LEU 68 Cb -0.04 -3.08 0.00 0.00 0.66 0.00 0.00 46.19 43.74 2jn7 s LEU 68 CO 0.84 -0.22 0.17 0.20 -1.89 0.00 0.00 176.35 175.44 2jn7 s ASN 69 N 0.98 0.01 -0.87 3.68 0.01 -1.26 -5.00 114.94 112.49 2jn7 s ASN 69 Ca 0.36 -0.22 -0.26 0.00 -0.71 0.00 0.00 52.86 52.03 2jn7 s ASN 69 Cb -0.17 0.23 -0.15 0.00 0.41 0.00 0.00 41.25 41.58 2jn7 s ASN 69 CO 0.15 -0.42 2.30 -2.16 -1.51 0.00 0.00 177.10 175.46 2jn7 s PRO 70 N -1.65 1.61 0.23 -0.60 0.04 -1.26 -4.37 135.00 129.00 2jn7 s PRO 70 Ca -0.12 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.11 2jn7 s PRO 70 Cb -0.06 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.62 2jn7 s PRO 70 CO 0.01 -4.57 0.00 0.54 0.04 0.00 0.00 177.00 173.02 2jn7 n ARG 71 N 8.68 0.00 -3.71 4.56 1.74 -1.26 -5.06 116.66 121.62 2jn7 n ARG 71 Ca 0.45 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.40 2jn7 n ARG 71 Cb 0.44 -0.17 -0.09 0.00 -1.02 0.00 0.00 32.46 31.62 2jn7 n ARG 71 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2jn7 s HIS 72 N -1.98 -0.54 0.04 -1.55 3.76 -1.26 -4.98 115.29 108.79 2jn7 s HIS 72 Ca 0.00 1.31 -0.31 0.00 -0.15 0.00 0.00 55.06 55.91 2jn7 s HIS 72 Cb 0.00 0.18 -0.07 0.00 1.11 0.00 0.00 32.58 33.81 2jn7 s HIS 72 CO 0.00 -0.26 1.47 0.00 -0.85 0.00 0.00 174.74 175.10 2jn7 s ALA 73 N 0.26 3.61 -0.25 -1.40 0.00 -1.26 -4.70 121.76 118.02 2jn7 s ALA 73 Ca -0.00 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 2jn7 s ALA 73 Cb -0.03 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.56 2jn7 s ALA 73 CO 0.01 -0.90 0.10 -0.65 0.00 0.00 0.00 175.76 174.32 2jn7 s GLN 74 N 2.19 0.27 0.16 0.00 -0.21 -1.26 -4.94 119.66 115.87 2jn7 s GLN 74 Ca 0.67 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 55.28 2jn7 s GLN 74 Cb -0.35 -1.55 -0.07 0.00 1.00 0.00 0.00 33.01 32.05 2jn7 s GLN 74 CO 0.29 -0.88 1.00 0.00 -2.12 0.00 0.00 175.29 173.58 2jn7 s VAL 76 N -0.30 1.47 -0.27 0.00 1.01 -1.22 -5.05 120.40 116.04 2jn7 s VAL 76 Ca 0.47 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2jn7 s VAL 76 Cb -0.26 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 34.92 2jn7 s VAL 76 CO 0.32 0.42 -0.06 0.42 0.00 0.00 0.00 175.10 176.20 2jn7 s THR 77 N -0.07 2.63 0.44 3.92 -4.23 -1.26 -4.02 115.64 113.05 2jn7 s THR 77 Ca -0.02 -1.42 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2jn7 s THR 77 Cb -0.11 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 2jn7 s THR 77 CO 0.02 -0.02 0.71 -0.76 -0.54 0.00 0.00 174.62 174.03 2jn7 s LEU 78 N 1.20 3.73 -0.07 4.79 1.43 -1.26 -5.05 118.68 123.45 2jn7 s LEU 78 Ca -0.06 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 53.73 2jn7 s LEU 78 Cb -0.19 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.44 2jn7 s LEU 78 CO -0.03 -0.53 0.15 -0.72 0.23 0.00 0.00 176.35 175.44 2jn7 s TYR 79 N -2.61 -0.16 0.00 0.29 1.13 -1.26 -4.41 117.35 110.32 2jn7 s TYR 79 Ca 0.45 0.48 0.00 0.00 -1.41 0.00 0.00 57.07 56.60 2jn7 s TYR 79 Cb -0.10 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.68 2jn7 s TYR 79 CO 0.42 -0.16 0.00 1.58 -2.51 0.00 0.00 175.55 174.87 2jn7 n HIS 80 N 4.15 0.00 0.09 -3.49 -0.00 -1.25 -4.94 115.22 109.77 2jn7 n HIS 80 Ca -0.26 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.92 2jn7 n HIS 80 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2jn7 n HIS 80 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 2jn7 n ASN 81 N 0.00 2.14 0.00 0.26 5.15 -1.26 -4.64 115.26 116.92 2jn7 n ASN 81 Ca 0.00 -1.38 0.00 0.00 -0.60 0.00 0.00 54.58 52.60 2jn7 n ASN 81 Cb 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 2jn7 n ASN 81 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jn7 n GLY 82 N 1.29 2.24 3.80 8.20 0.00 -1.26 -4.96 105.19 114.51 2jn7 n GLY 82 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2jn7 n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jn7 s PHE 83 N -0.10 3.40 -0.12 1.61 5.36 -1.26 -4.80 117.98 122.06 2jn7 s PHE 83 Ca 0.00 1.67 -0.02 0.00 -0.96 0.00 0.00 56.93 57.63 2jn7 s PHE 83 Cb 0.00 -2.95 0.04 0.00 -0.34 0.00 0.00 43.02 39.77 2jn7 s PHE 83 CO 0.00 -0.18 0.00 0.95 -1.46 0.00 0.00 175.22 174.53 2jn7 s THR 84 N -1.86 0.55 0.15 0.12 -4.23 -1.26 -3.89 115.64 105.22 2jn7 s THR 84 Ca 0.58 -0.21 -0.20 0.00 -1.18 0.00 0.00 61.69 60.68 2jn7 s THR 84 Cb -0.16 -0.81 -0.07 0.00 1.34 0.00 0.00 72.50 72.80 2jn7 s THR 84 CO 0.20 0.10 0.65 0.00 -0.54 0.00 0.00 174.62 175.03 2jn7 s GLU 86 N -1.51 3.55 0.02 0.00 2.02 -1.22 -4.25 118.70 117.30 2jn7 s GLU 86 Ca 0.36 -0.23 -0.04 0.00 0.02 0.00 0.00 54.97 55.07 2jn7 s GLU 86 Cb -0.19 -3.15 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 2jn7 s GLU 86 CO 0.21 0.61 0.06 0.00 0.02 0.00 0.00 175.26 176.16 2jn7 s ALA 87 N -0.57 -0.07 -0.13 5.21 0.00 -1.26 -3.47 121.76 121.48 2jn7 s ALA 87 Ca 0.12 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 2jn7 s ALA 87 Cb -0.12 0.17 0.12 0.00 0.00 0.00 0.00 23.12 23.29 2jn7 s ALA 87 CO 0.02 -0.23 0.98 0.16 0.00 0.00 0.00 175.76 176.70 2jn7 s ASP 88 N -1.67 -0.36 0.00 0.00 1.47 -1.25 -3.43 116.67 111.43 2jn7 s ASP 88 Ca -0.12 0.30 0.22 0.00 1.18 0.00 0.00 52.55 54.14 2jn7 s ASP 88 Cb -0.06 0.31 -0.26 0.00 -0.34 0.00 0.00 42.92 42.57 2jn7 s ASP 88 CO -0.01 -0.39 0.64 0.41 0.68 0.00 0.00 175.17 176.49 2jn7 n THR 89 N 0.50 0.07 -0.92 2.11 -1.04 -1.26 -3.75 114.28 109.99 2jn7 n THR 89 Ca -0.09 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 2jn7 n THR 89 Cb 0.59 0.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 2jn7 n THR 89 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jn7 n LEU 90 N -2.17 0.97 -0.34 -4.42 4.32 -1.26 -0.68 117.00 113.42 2jn7 n LEU 90 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.92 2jn7 n LEU 90 Cb 0.52 -2.34 -0.02 0.00 -1.62 0.00 0.00 43.42 39.97 2jn7 n LEU 90 CO 0.45 -0.92 -0.04 0.61 -1.22 0.00 0.00 177.39 176.26 2jn7 n GLY 91 N 0.67 0.69 0.00 -0.72 0.00 -1.26 -4.76 105.19 99.81 2jn7 n GLY 91 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2jn7 n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jn7 n SER 92 N 0.17 0.00 -3.15 1.61 7.64 0.15 -4.77 113.62 115.27 2jn7 n SER 92 Ca -0.04 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.89 2jn7 n SER 92 Cb 0.24 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 2jn7 n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jn7 n GLY 94 N 5.36 -0.05 3.29 0.00 0.00 -1.26 -5.02 105.19 107.51 2jn7 n GLY 94 Ca -0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2jn7 n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jn7 s TYR 95 N -2.84 -0.49 -0.03 1.61 2.02 -1.26 -3.93 117.35 112.44 2jn7 s TYR 95 Ca 0.13 1.14 -0.03 0.00 -0.37 0.00 0.00 57.07 57.94 2jn7 s TYR 95 Cb -0.06 0.18 0.01 0.00 -0.40 0.00 0.00 41.96 41.69 2jn7 s TYR 95 CO 0.17 -0.25 0.09 0.14 -1.57 0.00 0.00 175.55 174.12 2jn7 s VAL 96 N 0.55 -0.01 -0.19 0.71 -7.23 -1.26 -4.79 120.40 108.17 2jn7 s VAL 96 Ca -0.03 0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.17 2jn7 s VAL 96 Cb -0.04 -0.13 0.01 0.00 0.56 0.00 0.00 36.38 36.77 2jn7 s VAL 96 CO -0.03 0.01 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.32 2jn7 s TYR 97 N 0.23 2.85 0.15 2.82 1.51 -1.25 -3.80 117.35 119.86 2jn7 s TYR 97 Ca -0.02 -1.34 0.07 0.00 -1.01 0.00 0.00 57.07 54.77 2jn7 s TYR 97 Cb -0.02 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2jn7 s TYR 97 CO -0.01 -0.69 -0.14 0.96 -1.11 0.00 0.00 175.55 174.56 2jn7 s ILE 98 N 1.33 1.49 -0.01 2.71 -0.00 -1.26 -3.95 121.20 121.51 2jn7 s ILE 98 Ca 0.05 -1.92 -0.19 0.00 -0.00 0.00 0.00 60.65 58.59 2jn7 s ILE 98 Cb -0.14 -1.75 0.04 0.00 -0.00 0.00 0.00 42.46 40.61 2jn7 s ILE 98 CO -0.08 -0.49 0.41 0.00 -0.00 0.00 0.00 174.94 174.77 2jn7 s ALA 99 N -2.50 -1.03 -0.05 2.27 0.00 -1.23 -2.74 121.76 116.49 2jn7 s ALA 99 Ca 0.14 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.69 2jn7 s ALA 99 Cb -0.03 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2jn7 s ALA 99 CO 0.04 -0.32 -0.21 0.54 0.00 0.00 0.00 175.76 175.82 2jn7 s VAL 100 N -1.50 1.70 -0.31 0.00 0.11 -1.04 -3.38 120.40 115.99 2jn7 s VAL 100 Ca -0.12 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2jn7 s VAL 100 Cb -0.03 -1.45 0.15 0.00 -1.53 0.00 0.00 36.38 33.52 2jn7 s VAL 100 CO 0.04 0.48 0.35 -0.72 -3.33 0.00 0.00 175.10 171.93 2jn7 s TYR 101 N -0.09 -0.60 0.44 1.54 1.13 -1.26 -2.86 117.35 115.65 2jn7 s TYR 101 Ca -0.03 -0.20 -0.23 0.00 -1.41 0.00 0.00 57.07 55.20 2jn7 s TYR 101 Cb -0.12 -0.35 -0.10 0.00 -1.10 0.00 0.00 41.96 40.29 2jn7 s TYR 101 CO 0.03 -0.96 0.90 -2.30 -2.51 0.00 0.00 175.55 170.71 2jn7 n PRO 102 N 5.03 1.13 -1.91 -3.49 -0.02 -1.26 -4.81 135.00 129.67 2jn7 n PRO 102 Ca 0.02 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2jn7 n PRO 102 Cb 0.47 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 2jn7 n PRO 102 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jn7 s THR 103 N -1.35 2.42 0.14 3.45 -4.23 -1.26 -4.92 115.64 109.89 2jn7 s THR 103 Ca 0.65 0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 61.38 2jn7 s THR 103 Cb -0.55 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 2jn7 s THR 103 CO 0.56 0.05 1.50 -0.61 -0.54 0.00 0.00 174.62 175.58 2jn7 h GLN 104 N 5.33 0.88 0.00 3.99 4.15 -2.00 -3.52 115.11 123.94 2jn7 h GLN 104 Ca -0.46 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 58.56 2jn7 h GLN 104 Cb 1.22 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.89 2jn7 h GLN 104 CO 0.81 1.05 0.00 -2.13 -1.93 0.00 0.00 178.83 176.64