#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn3 h PHE 2 N 0.00 0.00 -3.99 0.00 -1.00 -1.95 -3.46 116.94 106.54 2jn3 h PHE 2 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 2jn3 h PHE 2 Cb 0.00 0.00 0.15 0.00 3.61 0.00 0.00 35.95 39.71 2jn3 h PHE 2 CO 0.00 0.67 0.49 0.43 -1.61 0.00 0.00 178.31 178.29 2jn3 n SER 3 N -3.43 2.13 0.00 2.17 7.64 -1.26 -4.56 113.62 116.30 2jn3 n SER 3 Ca 0.00 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2jn3 n SER 3 Cb 0.74 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 2jn3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jn3 n GLY 4 N 0.91 2.75 3.83 0.23 0.00 0.79 -4.91 105.19 108.80 2jn3 n GLY 4 Ca 0.14 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 2jn3 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jn3 s THR 5 N -2.62 4.35 -0.05 2.61 -4.23 -1.26 -2.37 115.64 112.07 2jn3 s THR 5 Ca 0.00 1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.55 2jn3 s THR 5 Cb 0.00 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 70.24 2jn3 s THR 5 CO 0.00 -0.71 0.10 0.26 -0.54 0.00 0.00 174.62 173.73 2jn3 s TRP 6 N -2.68 -0.08 0.09 3.99 0.52 -0.69 -2.31 118.94 117.78 2jn3 s TRP 6 Ca 0.59 0.36 -0.08 0.00 0.02 0.00 0.00 56.10 56.99 2jn3 s TRP 6 Cb -0.12 -0.20 -0.06 0.00 -1.15 0.00 0.00 33.47 31.94 2jn3 s TRP 6 CO 0.37 -0.16 0.39 -1.14 0.02 0.00 0.00 176.95 176.43 2jn3 s GLN 7 N 1.40 3.71 -0.26 4.98 0.74 0.51 -2.19 119.66 128.55 2jn3 s GLN 7 Ca -0.06 0.10 -0.29 0.00 0.05 0.00 0.00 55.36 55.16 2jn3 s GLN 7 Cb -0.12 -2.96 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 2jn3 s GLN 7 CO -0.05 0.54 1.78 0.08 -0.55 0.00 0.00 175.29 177.09 2jn3 s VAL 8 N -1.46 3.48 -0.00 1.34 1.01 -1.26 0.16 120.40 123.67 2jn3 s VAL 8 Ca 0.35 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 2jn3 s VAL 8 Cb -0.13 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2jn3 s VAL 8 CO 0.19 -0.30 0.37 1.88 0.00 0.00 0.00 175.10 177.24 2jn3 h TYR 9 N 12.17 -0.02 -3.88 5.22 0.05 1.12 -3.46 116.97 128.16 2jn3 h TYR 9 Ca -0.35 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.31 2jn3 h TYR 9 Cb 1.17 0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.82 2jn3 h TYR 9 CO 0.94 -0.01 -0.23 0.00 -1.05 0.00 0.00 178.16 177.81 2jn3 s ALA 10 N -3.04 0.14 -0.21 3.88 0.00 -1.20 -4.96 121.76 116.36 2jn3 s ALA 10 Ca -0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2jn3 s ALA 10 Cb 0.00 1.14 0.11 0.00 0.00 0.00 0.00 23.12 24.37 2jn3 s ALA 10 CO 0.01 -0.80 0.31 -0.65 0.00 0.00 0.00 175.76 174.63 2jn3 s GLN 11 N -3.96 0.26 0.23 0.00 1.11 -1.26 -2.73 119.66 113.31 2jn3 s GLN 11 Ca 0.27 0.48 -0.08 0.00 0.01 0.00 0.00 55.36 56.04 2jn3 s GLN 11 Cb 0.01 -0.62 -0.07 0.00 -1.01 0.00 0.00 33.01 31.32 2jn3 s GLN 11 CO 0.11 -0.56 0.52 -2.00 0.01 0.00 0.00 175.29 173.37 2jn3 s GLU 12 N 2.45 3.74 -1.27 2.91 2.12 -1.25 -3.97 118.70 123.44 2jn3 s GLU 12 Ca 0.08 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.58 2jn3 s GLU 12 Cb -0.15 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.57 2jn3 s GLU 12 CO -0.13 0.32 0.00 0.09 -0.54 0.00 0.00 175.26 175.00 2jn3 n ASN 13 N -0.26 -3.48 -0.13 -1.70 3.02 -1.26 -4.33 115.26 107.12 2jn3 n ASN 13 Ca -0.00 0.30 -0.06 0.00 -0.03 0.00 0.00 54.58 54.78 2jn3 n ASN 13 Cb 0.53 -3.16 -0.05 0.00 -0.61 0.00 0.00 39.78 36.49 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2jn3 h TYR 14 N 0.00 -0.85 -0.31 3.10 5.03 -1.96 -0.76 116.97 121.21 2jn3 h TYR 14 Ca -0.25 0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.17 2jn3 h TYR 14 Cb 0.84 0.41 -0.08 0.00 1.55 0.00 0.00 36.73 39.45 2jn3 h TYR 14 CO 0.37 -0.20 -0.44 0.93 -1.32 0.00 0.00 178.16 177.50 2jn3 h GLU 15 N -0.09 -0.38 -0.91 1.82 5.08 -1.92 -0.62 114.58 117.56 2jn3 h GLU 15 Ca 0.05 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.62 2jn3 h GLU 15 Cb 0.23 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.40 2jn3 h GLU 15 CO -0.36 -0.25 -0.22 0.93 -1.00 0.00 0.00 179.01 178.11 2jn3 h GLU 16 N -0.40 0.00 0.14 2.33 4.39 -1.64 -0.74 114.58 118.67 2jn3 h GLU 16 Ca 0.11 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2jn3 h GLU 16 Cb 0.60 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2jn3 h GLU 16 CO -0.52 0.00 -0.36 0.35 -1.16 0.00 0.00 179.01 177.33 2jn3 h PHE 17 N 0.00 -1.02 -0.90 4.33 3.57 0.27 -1.68 116.94 121.51 2jn3 h PHE 17 Ca 0.44 0.02 0.25 0.00 3.53 0.00 0.00 57.97 62.21 2jn3 h PHE 17 Cb 0.68 0.43 -0.15 0.00 2.79 0.00 0.00 35.95 39.70 2jn3 h PHE 17 CO -0.70 -0.42 0.23 -0.07 -2.23 0.00 0.00 178.31 175.12 2jn3 h LEU 18 N -0.55 -0.04 -1.21 0.59 3.38 -0.90 0.71 115.31 117.28 2jn3 h LEU 18 Ca -0.01 0.21 0.17 0.00 0.09 0.00 0.00 57.88 58.34 2jn3 h LEU 18 Cb 0.53 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2jn3 h LEU 18 CO -0.16 -0.20 0.60 0.11 0.09 0.00 0.00 178.44 178.89 2jn3 h LYS 19 N 0.17 0.67 -0.12 1.13 1.57 -0.41 -0.86 116.57 118.72 2jn3 h LYS 19 Ca 0.58 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 59.08 2jn3 h LYS 19 Cb 1.20 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.37 2jn3 h LYS 19 CO -0.70 0.44 -0.84 0.00 -0.57 0.00 0.00 179.45 177.79 2jn3 h ALA 20 N 1.61 0.26 -0.13 3.86 0.00 0.78 -3.06 119.26 122.58 2jn3 h ALA 20 Ca 0.50 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2jn3 h ALA 20 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jn3 h ALA 20 CO -0.26 0.68 0.15 1.25 0.00 0.00 0.00 179.25 181.07 2jn3 h LEU 21 N 0.50 0.00 0.03 0.00 5.85 -0.47 -3.45 115.31 117.78 2jn3 h LEU 21 Ca -0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2jn3 h LEU 21 Cb 1.48 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 2jn3 h LEU 21 CO 0.17 0.00 -0.01 0.00 -0.34 0.00 0.00 178.44 178.26 2jn3 n ALA 22 N -2.31 -0.01 -1.29 1.25 0.00 -0.93 -5.03 120.51 112.20 2jn3 n ALA 22 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 2jn3 n ALA 22 Cb 0.26 -0.53 0.17 0.00 0.00 0.00 0.00 19.45 19.35 2jn3 n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jn3 s LEU 23 N -0.10 1.67 0.27 0.00 1.43 -1.24 -4.98 118.68 115.72 2jn3 s LEU 23 Ca 0.00 1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.89 2jn3 s LEU 23 Cb 0.00 -3.28 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 2jn3 s LEU 23 CO 0.00 -3.00 1.14 -2.16 0.23 0.00 0.00 176.35 172.56 2jn3 s PRO 24 N -5.08 4.58 0.14 1.29 0.04 -1.26 -4.90 135.00 129.81 2jn3 s PRO 24 Ca 0.65 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 2jn3 s PRO 24 Cb -0.17 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2jn3 s PRO 24 CO 0.56 0.12 1.80 1.05 0.04 0.00 0.00 177.00 180.57 2jn3 h GLU 25 N 3.95 0.43 -1.14 4.56 4.11 -1.98 0.04 114.58 124.56 2jn3 h GLU 25 Ca -0.47 -0.03 0.32 0.00 0.07 0.00 0.00 59.36 59.26 2jn3 h GLU 25 Cb 1.21 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 2jn3 h GLU 25 CO 0.68 0.29 0.76 0.38 0.07 0.00 0.00 179.01 181.18 2jn3 h ASP 26 N 0.45 0.29 0.46 3.06 3.04 -1.99 0.38 116.42 122.10 2jn3 h ASP 26 Ca 0.12 0.07 -0.30 0.00 -3.24 0.00 0.00 57.03 53.68 2jn3 h ASP 26 Cb -0.05 0.03 -0.04 0.00 -1.04 0.00 0.00 39.33 38.23 2jn3 h ASP 26 CO -0.03 0.01 -1.69 0.25 -2.04 0.00 0.00 179.24 175.74 2jn3 h LEU 27 N 0.23 0.11 -0.03 0.15 5.85 -1.74 -3.20 115.31 116.68 2jn3 h LEU 27 Ca 0.64 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 2jn3 h LEU 27 Cb 1.93 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.92 2jn3 h LEU 27 CO -0.24 1.19 -0.04 0.40 -0.34 0.00 0.00 178.44 179.41 2jn3 h ILE 28 N 0.02 1.41 -0.16 4.05 2.04 0.13 -0.77 117.51 124.23 2jn3 h ILE 28 Ca -0.29 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.25 2jn3 h ILE 28 Cb 2.00 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 40.28 2jn3 h ILE 28 CO 0.09 0.34 -0.09 0.11 0.00 0.00 0.00 178.15 178.61 2jn3 h LYS 29 N -0.43 0.25 0.00 2.37 1.79 -0.60 0.51 116.57 120.46 2jn3 h LYS 29 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2jn3 h LYS 29 Cb 0.58 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2jn3 h LYS 29 CO 0.01 0.35 -0.25 -0.12 -1.08 0.00 0.00 179.45 178.35 2jn3 n MET 30 N -4.31 0.10 -0.06 3.15 1.56 -1.19 -3.52 117.12 112.85 2jn3 n MET 30 Ca -0.01 0.05 0.05 0.00 -0.27 0.00 0.00 57.70 57.53 2jn3 n MET 30 Cb 0.24 -1.59 0.08 0.00 2.15 0.00 0.00 33.22 34.10 2jn3 n MET 30 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jn3 n ALA 31 N -1.61 2.36 0.70 -5.12 0.00 -0.30 -4.50 120.51 112.04 2jn3 n ALA 31 Ca 0.06 -0.79 0.06 0.00 0.00 0.00 0.00 53.44 52.77 2jn3 n ALA 31 Cb 0.37 -0.38 0.35 0.00 0.00 0.00 0.00 19.45 19.79 2jn3 n ALA 31 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jn3 n ARG 32 N 0.54 0.28 -2.73 0.00 1.85 0.07 -3.21 116.66 113.47 2jn3 n ARG 32 Ca 0.08 0.09 -0.09 0.00 -1.00 0.00 0.00 57.85 56.93 2jn3 n ARG 32 Cb 0.32 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.29 2jn3 n ARG 32 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2jn3 n ASP 33 N -1.16 0.20 -3.94 2.89 8.00 -1.26 -4.93 116.55 116.35 2jn3 n ASP 33 Ca 0.08 -2.72 -0.30 0.00 0.71 0.00 0.00 54.79 52.57 2jn3 n ASP 33 Cb 0.08 0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.06 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jn3 s ILE 34 N -1.90 1.40 -0.98 0.53 1.01 -1.20 -5.06 121.20 115.00 2jn3 s ILE 34 Ca 0.27 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 2jn3 s ILE 34 Cb 0.42 -1.57 0.23 0.00 0.01 0.00 0.00 42.46 41.55 2jn3 s ILE 34 CO -0.01 0.07 0.98 -0.54 0.00 0.00 0.00 174.94 175.44 2jn3 s LYS 35 N 1.49 3.89 0.61 2.79 1.02 -1.26 -5.03 119.74 123.24 2jn3 s LYS 35 Ca -0.02 -2.74 -0.16 0.00 0.02 0.00 0.00 55.97 53.08 2jn3 s LYS 35 Cb -0.17 -4.56 -0.03 0.00 -0.52 0.00 0.00 37.83 32.55 2jn3 s LYS 35 CO -0.08 -1.34 1.07 -1.25 -0.92 0.00 0.00 175.35 172.84 2jn3 s PRO 36 N -0.14 3.19 0.50 -1.68 0.04 -1.26 -4.73 135.00 130.91 2jn3 s PRO 36 Ca 0.26 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.59 2jn3 s PRO 36 Cb -0.09 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2jn3 s PRO 36 CO -0.08 -0.92 0.70 0.42 0.04 0.00 0.00 177.00 177.16 2jn3 s ILE 37 N -2.41 2.93 -0.13 0.56 1.01 -1.07 -4.02 121.20 118.06 2jn3 s ILE 37 Ca 0.65 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 2jn3 s ILE 37 Cb -0.17 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.30 2jn3 s ILE 37 CO 0.38 -0.04 0.23 -0.69 0.00 0.00 0.00 174.94 174.82 2jn3 s VAL 38 N -2.61 -0.36 0.04 2.92 1.01 -0.93 -2.67 120.40 117.80 2jn3 s VAL 38 Ca 0.55 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 2jn3 s VAL 38 Cb -0.10 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 2jn3 s VAL 38 CO 0.37 0.07 0.25 -0.70 0.00 0.00 0.00 175.10 175.09 2jn3 s GLU 39 N 2.37 3.52 -0.06 2.72 2.12 -0.97 -1.70 118.70 126.70 2jn3 s GLU 39 Ca 0.03 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.14 2jn3 s GLU 39 Cb -0.13 -3.03 0.02 0.00 0.26 0.00 0.00 34.13 31.26 2jn3 s GLU 39 CO -0.08 0.61 -0.04 0.42 -0.54 0.00 0.00 175.26 175.63 2jn3 s ILE 40 N -1.42 0.56 -0.60 -3.70 1.01 -1.00 -2.11 121.20 113.94 2jn3 s ILE 40 Ca 0.32 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.94 2jn3 s ILE 40 Cb -0.13 -0.63 0.17 0.00 0.01 0.00 0.00 42.46 41.88 2jn3 s ILE 40 CO 0.21 0.26 0.44 -1.58 0.00 0.00 0.00 174.94 174.27 2jn3 s GLN 41 N 1.36 1.91 0.69 2.79 0.74 -0.79 -0.15 119.66 126.21 2jn3 s GLN 41 Ca -0.04 -2.91 -0.11 0.00 0.05 0.00 0.00 55.36 52.34 2jn3 s GLN 41 Cb -0.13 -2.71 0.00 0.00 1.10 0.00 0.00 33.01 31.27 2jn3 s GLN 41 CO -0.03 -1.32 1.07 -1.14 -0.55 0.00 0.00 175.29 173.32 2jn3 s GLN 42 N -0.93 3.00 -0.37 1.67 0.74 -1.26 -3.58 119.66 118.93 2jn3 s GLN 42 Ca 0.28 0.63 0.11 0.00 0.05 0.00 0.00 55.36 56.43 2jn3 s GLN 42 Cb -0.01 -2.02 0.40 0.00 1.10 0.00 0.00 33.01 32.48 2jn3 s GLN 42 CO -0.18 -0.97 1.41 1.63 -0.55 0.00 0.00 175.29 176.63 2jn3 n LYS 43 N -3.00 1.27 0.00 1.67 4.76 -1.11 -4.99 118.16 116.76 2jn3 n LYS 43 Ca 0.07 -1.66 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 2jn3 n LYS 43 Cb 0.56 0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 2jn3 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jn3 n GLY 44 N -0.93 1.70 0.19 0.72 0.00 -1.26 -4.57 105.19 101.03 2jn3 n GLY 44 Ca -0.08 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.15 2jn3 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jn3 n ASP 45 N 0.04 1.65 -4.64 1.61 5.75 -1.26 -5.00 116.55 114.70 2jn3 n ASP 45 Ca 0.00 -1.43 -0.35 0.00 -0.01 0.00 0.00 54.79 53.01 2jn3 n ASP 45 Cb 0.00 -0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 2jn3 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jn3 s ASP 46 N -0.55 5.05 -0.05 -1.12 -1.08 -1.26 0.11 116.67 117.77 2jn3 s ASP 46 Ca 0.06 0.08 0.06 0.00 -0.52 0.00 0.00 52.55 52.23 2jn3 s ASP 46 Cb 0.04 -1.41 -0.01 0.00 -1.46 0.00 0.00 42.92 40.08 2jn3 s ASP 46 CO 0.05 0.36 -0.24 -0.36 0.52 0.00 0.00 175.17 175.50 2jn3 s PHE 47 N -0.77 2.36 -0.31 -5.34 0.08 0.13 -2.75 117.98 111.37 2jn3 s PHE 47 Ca 0.12 -0.68 0.04 0.00 0.12 0.00 0.00 56.93 56.52 2jn3 s PHE 47 Cb -0.11 -1.55 0.09 0.00 -0.57 0.00 0.00 43.02 40.88 2jn3 s PHE 47 CO 0.02 -0.20 0.00 0.08 -0.10 0.00 0.00 175.22 175.02 2jn3 s VAL 48 N -0.17 2.20 -0.18 -0.44 1.01 -1.23 -1.48 120.40 120.10 2jn3 s VAL 48 Ca -0.03 -2.10 -0.06 0.00 0.00 0.00 0.00 61.98 59.80 2jn3 s VAL 48 Cb -0.13 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2jn3 s VAL 48 CO 0.03 -0.42 0.02 -0.69 0.00 0.00 0.00 175.10 174.04 2jn3 s VAL 49 N 0.99 4.39 -0.23 2.92 1.01 -0.71 -1.89 120.40 126.87 2jn3 s VAL 49 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 2jn3 s VAL 49 Cb -0.19 -2.96 0.07 0.00 0.00 0.00 0.00 36.38 33.29 2jn3 s VAL 49 CO -0.07 0.46 0.01 -0.89 0.00 0.00 0.00 175.10 174.61 2jn3 s THR 50 N 0.48 1.03 -0.13 3.92 2.01 -0.90 -0.19 115.64 121.86 2jn3 s THR 50 Ca 0.00 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 60.78 2jn3 s THR 50 Cb -0.13 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2jn3 s THR 50 CO 0.02 -0.26 0.58 -0.44 -0.69 0.00 0.00 174.62 173.83 2jn3 s SER 51 N 1.61 6.77 -0.14 3.53 0.01 0.00 -2.29 113.70 123.19 2jn3 s SER 51 Ca -0.01 0.93 0.02 0.00 1.31 0.00 0.00 55.95 58.20 2jn3 s SER 51 Cb -0.18 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 63.72 2jn3 s SER 51 CO -0.10 -0.11 -0.21 -0.54 0.41 0.00 0.00 173.24 172.69 2jn3 s LYS 52 N 1.05 2.90 0.40 12.44 1.02 -1.09 -0.20 119.74 136.26 2jn3 s LYS 52 Ca 0.30 -0.81 0.08 0.00 0.02 0.00 0.00 55.97 55.56 2jn3 s LYS 52 Cb -0.16 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 2jn3 s LYS 52 CO 0.13 -0.06 0.31 0.99 -0.92 0.00 0.00 175.35 175.80 2jn3 s THR 53 N 0.93 2.71 -0.36 2.17 2.01 0.31 -2.59 115.64 120.83 2jn3 s THR 53 Ca -0.05 -1.44 0.27 0.00 0.31 0.00 0.00 61.69 60.78 2jn3 s THR 53 Cb -0.15 -3.02 0.31 0.00 0.01 0.00 0.00 72.50 69.65 2jn3 s THR 53 CO -0.04 -0.03 1.79 1.55 -0.69 0.00 0.00 174.62 177.20 2jn3 h PRO 54 N 1.17 0.00 0.00 4.92 0.13 -2.00 -3.19 132.00 133.03 2jn3 h PRO 54 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2jn3 h PRO 54 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jn3 h PRO 54 CO 0.60 0.00 -1.41 -2.13 -0.23 0.00 0.00 178.00 174.83 2jn3 n ARG 55 N -2.58 0.45 -3.48 0.86 0.63 -1.26 -5.05 116.66 106.23 2jn3 n ARG 55 Ca 0.03 -0.07 -0.14 0.00 -0.92 0.00 0.00 57.85 56.74 2jn3 n ARG 55 Cb 0.32 -1.21 -0.04 0.00 0.45 0.00 0.00 32.46 31.99 2jn3 n ARG 55 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2jn3 s GLN 56 N -2.58 1.12 -0.02 -0.14 0.74 -1.21 -5.17 119.66 112.41 2jn3 s GLN 56 Ca -0.03 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.28 2jn3 s GLN 56 Cb 0.05 0.52 -0.00 0.00 1.10 0.00 0.00 33.01 34.68 2jn3 s GLN 56 CO 0.36 -0.43 -0.10 0.95 -0.55 0.00 0.00 175.29 175.52 2jn3 s THR 57 N -2.50 0.87 -0.04 -0.34 -4.23 -1.26 0.11 115.64 108.25 2jn3 s THR 57 Ca -0.04 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 2jn3 s THR 57 Cb -0.01 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.10 2jn3 s THR 57 CO -0.02 0.26 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.56 2jn3 s VAL 58 N -0.01 0.62 -0.08 2.29 1.01 0.72 -4.95 120.40 120.00 2jn3 s VAL 58 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2jn3 s VAL 58 Cb -0.07 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2jn3 s VAL 58 CO 0.00 0.23 -0.09 -0.89 0.00 0.00 0.00 175.10 174.35 2jn3 s THR 59 N 0.63 3.46 0.11 3.92 2.01 -1.26 -0.82 115.64 123.69 2jn3 s THR 59 Ca -0.09 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2jn3 s THR 59 Cb -0.12 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2jn3 s THR 59 CO 0.01 0.57 -0.11 0.20 -0.69 0.00 0.00 174.62 174.60 2jn3 s ASN 60 N -0.48 1.56 -0.19 3.53 0.02 0.73 -4.95 114.94 115.17 2jn3 s ASN 60 Ca 0.07 -0.84 -0.09 0.00 -1.02 0.00 0.00 52.86 50.98 2jn3 s ASN 60 Cb -0.12 -0.00 0.07 0.00 0.02 0.00 0.00 41.25 41.22 2jn3 s ASN 60 CO 0.02 -0.25 0.43 -0.55 0.02 0.00 0.00 177.10 176.77 2jn3 s SER 61 N -2.53 -0.48 0.26 -1.22 0.15 -1.26 -1.73 113.70 106.89 2jn3 s SER 61 Ca 0.07 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.69 2jn3 s SER 61 Cb -0.02 0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 65.23 2jn3 s SER 61 CO 0.00 -0.21 0.25 0.72 1.20 0.00 0.00 173.24 175.21 2jn3 s PHE 62 N 1.73 1.28 0.14 3.44 -0.12 -0.55 -4.79 117.98 119.10 2jn3 s PHE 62 Ca -0.08 -1.41 0.10 0.00 -0.05 0.00 0.00 56.93 55.50 2jn3 s PHE 62 Cb -0.09 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 2jn3 s PHE 62 CO -0.13 -0.81 -0.23 0.99 -0.05 0.00 0.00 175.22 175.00 2jn3 s THR 63 N -3.78 2.53 -0.09 -4.49 2.01 -1.26 -0.69 115.64 109.86 2jn3 s THR 63 Ca 0.37 -1.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 2jn3 s THR 63 Cb 0.04 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 2jn3 s THR 63 CO 0.18 0.06 1.07 -0.76 -0.69 0.00 0.00 174.62 174.48 2jn3 s LEU 64 N -2.20 4.25 0.00 4.42 1.43 0.30 -3.03 118.68 123.85 2jn3 s LEU 64 Ca 0.17 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2jn3 s LEU 64 Cb -0.10 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2jn3 s LEU 64 CO 0.08 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.78 2jn3 n GLY 65 N 3.18 0.87 2.97 -3.19 0.00 -1.16 -4.93 105.19 102.93 2jn3 n GLY 65 Ca 0.10 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2jn3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 66 N -0.74 0.13 0.00 1.61 1.02 -1.17 -5.09 119.74 115.51 2jn3 s LYS 66 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.74 2jn3 s LYS 66 Cb 0.00 0.06 -0.06 0.00 -0.52 0.00 0.00 37.83 37.31 2jn3 s LYS 66 CO 0.00 -0.02 1.44 -2.00 -0.92 0.00 0.00 175.35 173.85 2jn3 s GLU 67 N -0.12 4.27 0.09 1.68 2.12 -1.26 -4.50 118.70 120.98 2jn3 s GLU 67 Ca -0.02 2.02 0.08 0.00 0.36 0.00 0.00 54.97 57.41 2jn3 s GLU 67 Cb -0.02 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 2jn3 s GLU 67 CO 0.00 -0.61 -0.20 0.00 -0.54 0.00 0.00 175.26 173.91 2jn3 s ALA 68 N 2.51 1.76 0.18 6.30 0.00 -1.19 -4.95 121.76 126.37 2jn3 s ALA 68 Ca 0.65 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 2jn3 s ALA 68 Cb -0.32 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 2jn3 s ALA 68 CO 0.27 0.36 0.86 -0.51 0.00 0.00 0.00 175.76 176.73 2jn3 s ASP 69 N -1.80 7.49 0.02 0.00 1.01 -1.26 -2.74 116.67 119.40 2jn3 s ASP 69 Ca 0.06 1.76 0.03 0.00 0.71 0.00 0.00 52.55 55.12 2jn3 s ASP 69 Cb -0.10 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2jn3 s ASP 69 CO 0.04 0.15 -0.10 -0.63 0.21 0.00 0.00 175.17 174.83 2jn3 s ILE 70 N -0.97 0.81 -0.06 0.77 -1.09 -0.34 -4.72 121.20 115.60 2jn3 s ILE 70 Ca 0.39 -0.79 0.05 0.00 -2.23 0.00 0.00 60.65 58.07 2jn3 s ILE 70 Cb -0.24 -0.75 -0.02 0.00 -1.58 0.00 0.00 42.46 39.87 2jn3 s ILE 70 CO 0.29 -0.03 -0.19 0.28 -1.23 0.00 0.00 174.94 174.06 2jn3 s THR 71 N -0.74 2.61 0.43 2.92 -1.32 -1.26 -2.29 115.64 115.99 2jn3 s THR 71 Ca -0.01 -0.88 -0.08 0.00 -1.21 0.00 0.00 61.69 59.52 2jn3 s THR 71 Cb -0.07 -2.00 -0.05 0.00 -1.51 0.00 0.00 72.50 68.88 2jn3 s THR 71 CO 0.01 0.58 0.76 -0.89 -2.21 0.00 0.00 174.62 172.86 2jn3 s THR 72 N -0.43 4.86 -0.18 5.08 2.01 0.71 -4.91 115.64 122.77 2jn3 s THR 72 Ca 0.05 0.39 0.27 0.00 0.31 0.00 0.00 61.69 62.72 2jn3 s THR 72 Cb -0.12 -3.79 0.29 0.00 0.01 0.00 0.00 72.50 68.89 2jn3 s THR 72 CO 0.02 -0.64 1.83 -0.03 -0.69 0.00 0.00 174.62 175.10 2jn3 h MET 73 N 0.85 0.00 -0.00 4.92 4.05 -1.99 -1.66 114.93 121.10 2jn3 h MET 73 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2jn3 h MET 73 Cb 1.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2jn3 h MET 73 CO 0.63 0.00 -0.32 -0.40 0.23 0.00 0.00 176.91 177.05 2jn3 n ASP 74 N -2.51 0.35 0.00 1.39 5.68 -1.26 -4.91 116.55 115.29 2jn3 n ASP 74 Ca 0.01 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2jn3 n ASP 74 Cb 0.19 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2jn3 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jn3 n GLY 75 N 1.49 1.63 3.59 6.12 0.00 -0.62 -5.10 105.19 112.29 2jn3 n GLY 75 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2jn3 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 76 N -0.56 3.50 -0.10 1.61 1.02 -1.24 -4.89 119.74 119.07 2jn3 s LYS 76 Ca 0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 2jn3 s LYS 76 Cb 0.00 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 2jn3 s LYS 76 CO 0.00 0.40 -0.05 0.21 -0.92 0.00 0.00 175.35 175.00 2jn3 s LYS 77 N -0.05 3.10 -0.07 1.68 2.20 -1.26 -0.21 119.74 125.13 2jn3 s LYS 77 Ca 0.03 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 2jn3 s LYS 77 Cb -0.13 -2.73 0.11 0.00 -1.51 0.00 0.00 37.83 33.58 2jn3 s LYS 77 CO 0.02 0.53 0.97 -0.48 -0.36 0.00 0.00 175.35 176.03 2jn3 s LEU 78 N -0.42 -0.32 0.45 5.43 2.34 -0.97 -5.03 118.68 120.16 2jn3 s LEU 78 Ca 0.07 0.08 0.08 0.00 0.06 0.00 0.00 54.13 54.42 2jn3 s LEU 78 Cb -0.12 1.87 0.02 0.00 -0.56 0.00 0.00 46.19 47.40 2jn3 s LEU 78 CO 0.02 -0.49 0.55 -0.54 -1.06 0.00 0.00 176.35 174.83 2jn3 s LYS 79 N -2.58 2.63 -0.30 1.48 1.02 -1.26 -1.20 119.74 119.53 2jn3 s LYS 79 Ca 0.04 -1.43 -0.23 0.00 0.02 0.00 0.00 55.97 54.37 2jn3 s LYS 79 Cb -0.01 -2.60 0.20 0.00 -0.52 0.00 0.00 37.83 34.89 2jn3 s LYS 79 CO -0.06 -0.38 1.40 0.00 -0.92 0.00 0.00 175.35 175.39 2jn3 s THR 81 N 0.28 5.00 0.27 0.00 2.01 -1.26 -3.19 115.64 118.74 2jn3 s THR 81 Ca 0.04 -1.24 -0.29 0.00 0.31 0.00 0.00 61.69 60.50 2jn3 s THR 81 Cb -0.04 -4.43 -0.09 0.00 0.01 0.00 0.00 72.50 67.94 2jn3 s THR 81 CO -0.14 -1.02 1.15 -0.69 -0.69 0.00 0.00 174.62 173.23 2jn3 s VAL 82 N 2.18 3.38 0.09 3.82 1.01 -1.26 -4.72 120.40 124.90 2jn3 s VAL 82 Ca 0.08 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 2jn3 s VAL 82 Cb -0.26 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2jn3 s VAL 82 CO 0.04 0.30 -0.02 -1.38 0.00 0.00 0.00 175.10 174.04 2jn3 s HIS 83 N -0.94 0.72 -0.15 5.22 -3.43 -1.20 -2.99 115.29 112.52 2jn3 s HIS 83 Ca 0.47 -1.06 -0.05 0.00 -0.80 0.00 0.00 55.06 53.62 2jn3 s HIS 83 Cb -0.33 -0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 30.32 2jn3 s HIS 83 CO 0.42 -0.33 0.03 -0.51 -2.00 0.00 0.00 174.74 172.34 2jn3 s LEU 84 N -2.99 3.64 -0.12 5.38 1.43 -1.26 -2.01 118.68 122.74 2jn3 s LEU 84 Ca 0.12 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2jn3 s LEU 84 Cb 0.07 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.44 2jn3 s LEU 84 CO -0.06 0.22 0.02 0.00 0.23 0.00 0.00 176.35 176.76 2jn3 s ALA 85 N 0.09 0.78 -1.68 4.21 0.00 -0.62 -4.80 121.76 119.73 2jn3 s ALA 85 Ca 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 2jn3 s ALA 85 Cb -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2jn3 s ALA 85 CO 0.01 -0.77 0.21 -1.71 0.00 0.00 0.00 175.76 173.50 2jn3 n ASN 86 N 5.13 -5.89 -1.58 0.00 5.15 -1.26 -2.03 115.26 114.78 2jn3 n ASN 86 Ca -0.08 -0.11 -0.07 0.00 -0.60 0.00 0.00 54.58 53.73 2jn3 n ASN 86 Cb 0.49 -4.85 0.03 0.00 -0.53 0.00 0.00 39.78 34.91 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jn3 n GLY 87 N -1.18 0.37 3.29 8.20 0.00 -1.26 -5.04 105.19 109.56 2jn3 n GLY 87 Ca -0.20 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 2jn3 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 88 N -5.03 0.34 0.14 1.61 1.02 -0.86 -4.74 119.74 112.23 2jn3 s LYS 88 Ca 0.11 1.04 -0.30 0.00 0.02 0.00 0.00 55.97 56.84 2jn3 s LYS 88 Cb -0.05 0.34 -0.07 0.00 -0.52 0.00 0.00 37.83 37.52 2jn3 s LYS 88 CO 0.23 -0.24 1.23 -1.17 -0.92 0.00 0.00 175.35 174.47 2jn3 s LEU 89 N 2.54 4.42 -0.05 3.17 0.20 -1.06 -1.59 118.68 126.30 2jn3 s LEU 89 Ca -0.03 2.19 -0.02 0.00 0.69 0.00 0.00 54.13 56.97 2jn3 s LEU 89 Cb -0.12 -3.60 0.04 0.00 -0.43 0.00 0.00 46.19 42.08 2jn3 s LEU 89 CO -0.13 -0.44 0.10 -0.69 -0.29 0.00 0.00 176.35 174.90 2jn3 s VAL 90 N 0.38 -0.14 -0.56 1.68 1.01 -0.85 -1.08 120.40 120.83 2jn3 s VAL 90 Ca 0.56 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 2jn3 s VAL 90 Cb -0.32 -0.20 0.15 0.00 0.00 0.00 0.00 36.38 36.00 2jn3 s VAL 90 CO 0.34 0.14 0.36 -0.89 0.00 0.00 0.00 175.10 175.05 2jn3 s THR 91 N 1.91 3.44 0.52 3.92 2.01 0.16 -3.26 115.64 124.34 2jn3 s THR 91 Ca 0.00 -2.83 -0.05 0.00 0.31 0.00 0.00 61.69 59.13 2jn3 s THR 91 Cb -0.12 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 2jn3 s THR 91 CO -0.04 -0.82 0.82 -1.59 -0.69 0.00 0.00 174.62 172.29 2jn3 s LYS 92 N 0.16 3.25 0.00 4.92 -2.85 -1.26 -1.50 119.74 122.45 2jn3 s LYS 92 Ca 0.15 0.05 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 2jn3 s LYS 92 Cb -0.21 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 2jn3 s LYS 92 CO -0.03 -0.41 0.00 0.45 0.10 0.00 0.00 175.35 175.46 2jn3 n SER 93 N -2.37 0.00 -1.96 0.03 2.88 -0.80 -4.74 113.62 106.66 2jn3 n SER 93 Ca 0.02 -0.44 -0.20 0.00 -1.33 0.00 0.00 58.87 56.91 2jn3 n SER 93 Cb 0.56 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.19 2jn3 n SER 93 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jn3 n GLU 94 N 0.00 2.24 0.00 -1.46 2.13 -1.26 -4.39 120.64 117.90 2jn3 n GLU 94 Ca 0.00 -3.13 0.00 0.00 0.66 0.00 0.00 57.16 54.69 2jn3 n GLU 94 Cb 0.00 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 29.61 2jn3 n GLU 94 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2jn3 n LYS 95 N -1.10 0.00 -3.62 5.31 2.85 -1.26 -5.14 118.16 115.20 2jn3 n LYS 95 Ca 0.53 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.73 2jn3 n LYS 95 Cb 1.36 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.69 2jn3 n LYS 95 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2jn3 s PHE 96 N 0.00 -0.22 0.16 5.58 -0.12 -1.26 -4.65 117.98 117.47 2jn3 s PHE 96 Ca 0.00 0.41 0.09 0.00 -0.05 0.00 0.00 56.93 57.37 2jn3 s PHE 96 Cb 0.00 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2jn3 s PHE 96 CO 0.00 -0.18 -0.19 -1.12 -0.05 0.00 0.00 175.22 173.68 2jn3 s SER 97 N -0.82 2.69 -0.02 1.98 0.01 -0.78 -1.90 113.70 114.86 2jn3 s SER 97 Ca 0.04 -0.83 -0.02 0.00 1.31 0.00 0.00 55.95 56.44 2jn3 s SER 97 Cb -0.02 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2jn3 s SER 97 CO -0.05 -0.01 0.06 -2.28 0.41 0.00 0.00 173.24 171.37 2jn3 s HIS 98 N -1.89 -0.05 -0.18 2.43 5.04 -0.56 -2.50 115.29 117.57 2jn3 s HIS 98 Ca 0.14 0.13 -0.09 0.00 -1.54 0.00 0.00 55.06 53.71 2jn3 s HIS 98 Cb -0.06 0.02 0.07 0.00 0.04 0.00 0.00 32.58 32.64 2jn3 s HIS 98 CO 0.06 -0.04 0.43 -2.00 -2.34 0.00 0.00 174.74 170.85 2jn3 s GLU 99 N -0.02 0.39 0.08 2.88 2.12 0.49 0.39 118.70 125.02 2jn3 s GLU 99 Ca -0.01 0.87 0.05 0.00 0.36 0.00 0.00 54.97 56.25 2jn3 s GLU 99 Cb -0.01 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.43 2jn3 s GLU 99 CO 0.00 -0.18 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.25 2jn3 s GLN 100 N 1.72 0.86 0.03 4.30 0.74 -0.24 0.23 119.66 127.29 2jn3 s GLN 100 Ca -0.08 -0.99 -0.12 0.00 0.05 0.00 0.00 55.36 54.22 2jn3 s GLN 100 Cb -0.09 -0.87 0.01 0.00 1.10 0.00 0.00 33.01 33.16 2jn3 s GLN 100 CO -0.13 0.19 0.25 -1.83 -0.55 0.00 0.00 175.29 173.22 2jn3 s GLU 101 N -1.84 0.73 -0.09 1.67 -1.05 0.26 -2.57 118.70 115.81 2jn3 s GLU 101 Ca -0.00 -0.52 0.05 0.00 -0.15 0.00 0.00 54.97 54.34 2jn3 s GLU 101 Cb -0.10 0.31 -0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2jn3 s GLU 101 CO 0.02 -0.22 -0.24 0.54 0.95 0.00 0.00 175.26 176.32 2jn3 s VAL 102 N -2.37 2.11 -0.42 1.83 0.11 -1.26 -0.46 120.40 119.94 2jn3 s VAL 102 Ca -0.06 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 57.99 2jn3 s VAL 102 Cb -0.02 -1.79 0.12 0.00 -1.53 0.00 0.00 36.38 33.16 2jn3 s VAL 102 CO -0.03 0.56 0.19 -0.54 -3.33 0.00 0.00 175.10 171.96 2jn3 s LYS 103 N 0.16 1.35 3.15 1.54 -0.14 0.51 -4.98 119.74 121.35 2jn3 s LYS 103 Ca -0.13 -1.95 0.00 0.00 -1.36 0.00 0.00 55.97 52.53 2jn3 s LYS 103 Cb -0.16 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 2jn3 s LYS 103 CO 0.07 -1.09 0.00 0.41 -0.76 0.00 0.00 175.35 173.98 2jn3 n GLY 104 N 3.78 1.96 0.12 -3.33 0.00 -1.26 -2.82 105.19 103.64 2jn3 n GLY 104 Ca 0.05 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.12 2jn3 n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jn3 n ASN 105 N 6.50 1.48 -4.32 1.61 5.03 -1.26 -5.04 115.26 119.26 2jn3 n ASN 105 Ca 0.00 -2.28 -0.25 0.00 0.87 0.00 0.00 54.58 52.92 2jn3 n ASN 105 Cb 0.00 -0.20 -0.12 0.00 -1.02 0.00 0.00 39.78 38.43 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2jn3 s GLU 106 N -1.40 1.22 -0.01 3.52 2.02 -1.13 -2.40 118.70 120.52 2jn3 s GLU 106 Ca 0.12 -1.25 0.06 0.00 0.02 0.00 0.00 54.97 53.93 2jn3 s GLU 106 Cb 0.11 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.81 2jn3 s GLU 106 CO 0.01 0.35 -0.18 1.41 0.02 0.00 0.00 175.26 176.87 2jn3 s MET 107 N -2.07 1.49 -0.12 1.61 1.75 0.26 -0.36 119.30 121.87 2jn3 s MET 107 Ca 0.10 -0.67 0.01 0.00 -1.25 0.00 0.00 55.69 53.88 2jn3 s MET 107 Cb -0.09 -1.45 0.02 0.00 2.84 0.00 0.00 34.83 36.14 2jn3 s MET 107 CO 0.05 0.40 -0.15 0.08 -0.65 0.00 0.00 175.02 174.75 2jn3 s VAL 108 N -0.44 1.52 -0.17 10.11 1.01 0.40 0.33 120.40 133.15 2jn3 s VAL 108 Ca 0.07 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2jn3 s VAL 108 Cb -0.07 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 2jn3 s VAL 108 CO -0.01 0.45 -0.12 -1.61 0.00 0.00 0.00 175.10 173.81 2jn3 s GLU 109 N 1.07 3.26 -0.19 2.72 2.02 0.18 -0.57 118.70 127.19 2jn3 s GLU 109 Ca -0.05 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 2jn3 s GLU 109 Cb -0.15 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 2jn3 s GLU 109 CO -0.03 -0.05 -0.06 0.99 0.02 0.00 0.00 175.26 176.13 2jn3 s THR 110 N 1.01 3.37 -0.07 3.63 2.01 0.62 -0.61 115.64 125.60 2jn3 s THR 110 Ca -0.01 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2jn3 s THR 110 Cb -0.15 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 69.87 2jn3 s THR 110 CO -0.02 0.45 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 2jn3 s ILE 111 N 1.12 1.09 -0.11 1.82 1.01 -0.66 -0.38 121.20 125.09 2jn3 s ILE 111 Ca 0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 2jn3 s ILE 111 Cb -0.15 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 2jn3 s ILE 111 CO -0.01 0.35 -0.09 -0.89 0.00 0.00 0.00 174.94 174.30 2jn3 s THR 112 N 0.84 3.42 -0.24 2.92 2.01 -1.04 0.11 115.64 123.65 2jn3 s THR 112 Ca -0.11 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 2jn3 s THR 112 Cb -0.15 -2.44 0.10 0.00 0.01 0.00 0.00 72.50 70.02 2jn3 s THR 112 CO 0.02 0.54 0.54 0.12 -0.69 0.00 0.00 174.62 175.15 2jn3 s PHE 113 N -0.04 -1.02 -0.50 4.92 2.19 0.20 -1.87 117.98 121.86 2jn3 s PHE 113 Ca -0.01 1.88 -0.01 0.00 0.33 0.00 0.00 56.93 59.12 2jn3 s PHE 113 Cb -0.14 0.53 0.00 0.00 -1.31 0.00 0.00 43.02 42.11 2jn3 s PHE 113 CO 0.03 -0.54 0.09 0.41 1.83 0.00 0.00 175.22 177.04 2jn3 n GLY 114 N 5.15 0.21 3.09 13.12 0.00 -1.26 -2.48 105.19 123.02 2jn3 n GLY 114 Ca -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2jn3 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jn3 n GLY 115 N -0.99 0.72 3.65 -0.02 0.00 -1.26 -4.99 105.19 102.29 2jn3 n GLY 115 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2jn3 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jn3 s VAL 116 N -3.09 4.04 -0.09 1.61 1.01 -1.03 -5.11 120.40 117.73 2jn3 s VAL 116 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2jn3 s VAL 116 Cb 0.00 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2jn3 s VAL 116 CO 0.00 0.54 -0.23 -0.89 0.00 0.00 0.00 175.10 174.52 2jn3 s THR 117 N -0.91 2.13 -0.05 3.92 2.01 -1.26 0.59 115.64 122.06 2jn3 s THR 117 Ca 0.15 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.16 2jn3 s THR 117 Cb -0.11 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2jn3 s THR 117 CO 0.04 0.56 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.24 2jn3 s LEU 118 N 0.25 3.18 -0.34 4.42 2.96 0.12 -4.93 118.68 124.32 2jn3 s LEU 118 Ca -0.16 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2jn3 s LEU 118 Cb -0.17 -1.72 0.08 0.00 0.50 0.00 0.00 46.19 44.88 2jn3 s LEU 118 CO 0.08 0.35 0.08 -0.63 -1.32 0.00 0.00 176.35 174.91 2jn3 s ILE 119 N -0.85 3.03 -0.26 6.68 1.01 -1.26 -1.66 121.20 127.90 2jn3 s ILE 119 Ca 0.13 -1.73 -0.07 0.00 0.00 0.00 0.00 60.65 58.98 2jn3 s ILE 119 Cb -0.11 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2jn3 s ILE 119 CO 0.03 -0.37 0.08 -0.60 0.00 0.00 0.00 174.94 174.07 2jn3 s ARG 120 N 1.18 3.56 -0.13 2.79 3.52 0.22 -3.76 118.95 126.32 2jn3 s ARG 120 Ca 0.01 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 55.01 2jn3 s ARG 120 Cb -0.21 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 2jn3 s ARG 120 CO -0.03 -0.24 0.09 -0.98 -0.81 0.00 0.00 175.30 173.33 2jn3 s ARG 121 N 1.60 3.52 -0.02 5.12 1.70 -1.11 0.51 118.95 130.27 2jn3 s ARG 121 Ca 0.06 -0.25 0.07 0.00 -0.47 0.00 0.00 55.73 55.13 2jn3 s ARG 121 Cb -0.15 -3.12 -0.02 0.00 -0.57 0.00 0.00 34.95 31.09 2jn3 s ARG 121 CO 0.04 0.61 -0.21 -1.12 -1.08 0.00 0.00 175.30 173.53 2jn3 s SER 122 N -0.56 2.49 -0.00 -2.89 0.01 0.15 0.49 113.70 113.39 2jn3 s SER 122 Ca 0.11 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 56.96 2jn3 s SER 122 Cb -0.12 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 2jn3 s SER 122 CO 0.02 0.26 0.19 -1.59 0.41 0.00 0.00 173.24 172.53 2jn3 s LYS 123 N -0.51 3.45 0.16 12.44 -2.85 0.43 0.90 119.74 133.76 2jn3 s LYS 123 Ca 0.08 -0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 54.44 2jn3 s LYS 123 Cb -0.08 -3.09 -0.07 0.00 -2.06 0.00 0.00 37.83 32.53 2jn3 s LYS 123 CO -0.01 0.67 1.04 0.50 0.10 0.00 0.00 175.35 177.65 2jn3 s ARG 124 N -1.97 4.66 0.00 1.78 3.52 -1.01 0.19 118.95 126.11 2jn3 s ARG 124 Ca 0.28 1.61 0.17 0.00 -0.13 0.00 0.00 55.73 57.65 2jn3 s ARG 124 Cb -0.13 -3.31 0.13 0.00 -1.56 0.00 0.00 34.95 30.09 2jn3 s ARG 124 CO 0.19 0.17 1.02 0.28 -0.81 0.00 0.00 175.30 176.15