#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 0.08 -3.84 0.00 -1.00 -1.96 -3.46 116.94 106.76 2jn3 h PHE 2 Ca 0.00 -0.06 -0.56 0.00 2.81 0.00 0.00 57.97 60.16 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 1.05 0.38 -1.13 -1.61 0.00 0.00 178.31 177.01 2jn3 n SER 3 N -3.35 1.75 0.00 2.17 3.41 -1.26 -4.57 113.62 111.77 2jn3 n SER 3 Ca -0.03 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2jn3 n SER 3 Cb 0.97 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2jn3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jn3 n GLY 4 N 1.02 2.85 3.81 5.00 0.00 0.44 -4.91 105.19 113.40 2jn3 n GLY 4 Ca 0.13 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 2jn3 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jn3 s THR 5 N -2.52 4.41 -0.06 2.61 2.01 -1.26 -2.24 115.64 118.59 2jn3 s THR 5 Ca 0.00 1.49 0.02 0.00 0.31 0.00 0.00 61.69 63.51 2jn3 s THR 5 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2jn3 s THR 5 CO 0.00 0.05 -0.11 0.26 -0.69 0.00 0.00 174.62 174.14 2jn3 s TRP 6 N -1.72 1.30 -0.29 4.92 0.52 -0.98 -2.25 118.94 120.45 2jn3 s TRP 6 Ca 0.50 -0.46 -0.10 0.00 0.02 0.00 0.00 56.10 56.07 2jn3 s TRP 6 Cb -0.15 -0.98 -0.02 0.00 -1.15 0.00 0.00 33.47 31.17 2jn3 s TRP 6 CO 0.20 -0.25 0.15 -0.65 0.02 0.00 0.00 176.95 176.43 2jn3 s GLN 7 N 0.67 3.58 0.07 4.98 -0.21 1.07 -2.24 119.66 127.57 2jn3 s GLN 7 Ca -0.13 -0.56 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 2jn3 s GLN 7 Cb -0.15 -3.56 -0.15 0.00 1.00 0.00 0.00 33.01 30.15 2jn3 s GLN 7 CO 0.03 -0.31 0.67 0.28 -2.12 0.00 0.00 175.29 173.85 2jn3 n VAL 8 N 5.00 0.65 -0.10 1.09 0.31 -1.26 0.69 118.33 124.72 2jn3 n VAL 8 Ca -0.14 -0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 63.88 2jn3 n VAL 8 Cb 0.50 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.39 2jn3 n VAL 8 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2jn3 n TYR 9 N 0.71 0.05 -3.63 3.52 4.01 1.72 -4.60 117.16 118.93 2jn3 n TYR 9 Ca 0.15 0.02 -0.10 0.00 -0.16 0.00 0.00 57.90 57.82 2jn3 n TYR 9 Cb 0.12 -0.64 -0.03 0.00 -0.31 0.00 0.00 39.34 38.48 2jn3 n TYR 9 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jn3 s ALA 10 N -2.80 -1.28 -0.23 -0.72 0.00 -1.14 -4.97 121.76 110.61 2jn3 s ALA 10 Ca -0.31 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 2jn3 s ALA 10 Cb 0.07 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.12 2jn3 s ALA 10 CO 0.44 -0.85 0.08 1.14 0.00 0.00 0.00 175.76 176.58 2jn3 s GLN 11 N -3.83 0.36 -0.19 0.00 -2.07 -1.26 -2.78 119.66 109.88 2jn3 s GLN 11 Ca 0.06 -0.43 -0.15 0.00 -1.82 0.00 0.00 55.36 53.02 2jn3 s GLN 11 Cb -0.02 -1.77 -0.04 0.00 -1.09 0.00 0.00 33.01 30.09 2jn3 s GLN 11 CO -0.05 -0.79 0.37 -2.00 -1.32 0.00 0.00 175.29 171.50 2jn3 s GLU 12 N 1.97 4.19 0.00 9.60 2.12 -1.25 -3.97 118.70 131.37 2jn3 s GLU 12 Ca 0.04 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.54 2jn3 s GLU 12 Cb -0.16 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.72 2jn3 s GLU 12 CO -0.18 0.03 0.00 -1.71 -0.54 0.00 0.00 175.26 172.86 2jn3 n ASN 13 N 4.24 0.00 0.00 -1.70 2.85 -1.26 -4.22 115.26 115.17 2jn3 n ASN 13 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2jn3 n ASN 13 Cb 0.51 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.31 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jn3 n TYR 14 N -2.00 0.00 -0.36 1.20 9.36 -1.25 0.17 117.16 124.27 2jn3 n TYR 14 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 2jn3 n TYR 14 Cb 0.00 -0.18 -0.09 0.00 -0.63 0.00 0.00 39.34 38.44 2jn3 n TYR 14 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2jn3 n GLU 15 N -2.02 -0.38 -0.29 2.98 1.02 -1.26 -0.43 120.64 120.26 2jn3 n GLU 15 Ca 0.00 1.42 -0.06 0.00 -0.02 0.00 0.00 57.16 58.50 2jn3 n GLU 15 Cb 0.00 -2.09 -0.01 0.00 -0.02 0.00 0.00 31.44 29.32 2jn3 n GLU 15 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jn3 h GLU 16 N 0.00 -0.11 -0.58 3.49 5.08 -0.67 0.28 114.58 122.06 2jn3 h GLU 16 Ca 0.14 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.61 2jn3 h GLU 16 Cb 0.35 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 2jn3 h GLU 16 CO -0.81 -0.08 0.15 0.35 -1.00 0.00 0.00 179.01 177.63 2jn3 h PHE 17 N -0.12 0.25 -0.62 4.33 3.57 0.68 -1.19 116.94 123.85 2jn3 h PHE 17 Ca 0.24 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.81 2jn3 h PHE 17 Cb 0.55 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 2jn3 h PHE 17 CO -0.79 0.01 0.36 -0.07 -2.23 0.00 0.00 178.31 175.59 2jn3 h LEU 18 N 0.30 0.56 -0.87 0.59 3.38 0.84 -1.88 115.31 118.23 2jn3 h LEU 18 Ca 0.30 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.43 2jn3 h LEU 18 Cb 0.41 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 2jn3 h LEU 18 CO -0.36 0.38 0.46 0.11 0.09 0.00 0.00 178.44 179.13 2jn3 h LYS 19 N 0.69 0.64 -0.05 1.13 1.57 0.20 0.11 116.57 120.87 2jn3 h LYS 19 Ca 0.26 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 2jn3 h LYS 19 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2jn3 h LYS 19 CO -0.14 0.42 -0.43 0.00 -0.57 0.00 0.00 179.45 178.74 2jn3 h ALA 20 N 1.56 1.19 0.00 3.86 0.00 -1.08 -2.47 119.26 122.32 2jn3 h ALA 20 Ca 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jn3 h ALA 20 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jn3 h ALA 20 CO -0.36 0.58 0.00 1.25 0.00 0.00 0.00 179.25 180.72 2jn3 h LEU 21 N 0.10 0.00 0.57 0.00 5.85 -0.25 -3.45 115.31 118.12 2jn3 h LEU 21 Ca 0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2jn3 h LEU 21 Cb 0.81 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2jn3 h LEU 21 CO 0.06 0.00 -0.11 0.00 -0.34 0.00 0.00 178.44 178.05 2jn3 n ALA 22 N -1.92 -0.12 -1.66 1.25 0.00 -0.93 -5.02 120.51 112.11 2jn3 n ALA 22 Ca -0.00 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 2jn3 n ALA 22 Cb 0.16 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.30 2.80 0.26 0.00 1.43 -1.24 -5.00 118.68 115.62 2jn3 s LEU 23 Ca 0.00 1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 54.12 2jn3 s LEU 23 Cb 0.00 -4.05 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 2jn3 s LEU 23 CO 0.00 -1.66 1.15 -2.16 0.23 0.00 0.00 176.35 173.91 2jn3 s PRO 24 N -5.19 4.57 0.32 1.29 0.04 -1.26 -4.89 135.00 129.88 2jn3 s PRO 24 Ca 0.59 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.54 2jn3 s PRO 24 Cb -0.13 -3.19 0.66 0.00 0.04 0.00 0.00 34.50 31.88 2jn3 s PRO 24 CO 0.54 0.09 1.88 0.93 0.04 0.00 0.00 177.00 180.47 2jn3 h GLU 25 N 4.17 0.85 -0.06 4.56 5.08 -1.99 0.13 114.58 127.32 2jn3 h GLU 25 Ca -0.46 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2jn3 h GLU 25 Cb 1.21 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2jn3 h GLU 25 CO 0.69 0.56 0.05 0.22 -1.00 0.00 0.00 179.01 179.53 2jn3 h ASP 26 N 0.87 0.00 0.38 1.42 1.82 -1.99 -0.69 116.42 118.23 2jn3 h ASP 26 Ca 0.44 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.76 2jn3 h ASP 26 Cb 0.48 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.45 2jn3 h ASP 26 CO -0.20 0.00 -1.81 -0.11 -1.61 0.00 0.00 179.24 175.51 2jn3 n LEU 27 N -4.17 1.30 -0.06 2.28 7.94 0.32 -3.39 117.00 121.22 2jn3 n LEU 27 Ca -0.02 0.34 -0.13 0.00 -1.11 0.00 0.00 56.01 55.10 2jn3 n LEU 27 Cb 0.15 -0.15 -0.07 0.00 0.53 0.00 0.00 43.42 43.89 2jn3 n LEU 27 CO 0.31 0.51 0.60 0.40 -1.11 0.00 0.00 177.39 178.10 2jn3 h ILE 28 N 0.02 1.34 0.00 1.96 2.04 -0.50 0.74 117.51 123.10 2jn3 h ILE 28 Ca -0.33 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2jn3 h ILE 28 Cb 2.03 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 2jn3 h ILE 28 CO 0.08 0.40 0.00 0.11 0.00 0.00 0.00 178.15 178.73 2jn3 h LYS 29 N 0.07 0.00 0.00 2.37 1.57 -1.33 0.31 116.57 119.56 2jn3 h LYS 29 Ca 0.03 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.53 2jn3 h LYS 29 Cb 0.70 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 2jn3 h LYS 29 CO 0.04 0.00 -1.74 -1.33 -0.57 0.00 0.00 179.45 175.85 2jn3 n MET 30 N -3.07 0.64 0.00 3.15 2.81 -1.11 -4.10 117.12 115.43 2jn3 n MET 30 Ca 0.01 0.24 0.10 0.00 -1.81 0.00 0.00 57.70 56.24 2jn3 n MET 30 Cb 0.31 -1.76 0.06 0.00 -0.71 0.00 0.00 33.22 31.11 2jn3 n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jn3 n ALA 31 N -2.55 2.78 0.28 3.04 0.00 0.24 -4.30 120.51 120.00 2jn3 n ALA 31 Ca -0.17 -0.65 0.05 0.00 0.00 0.00 0.00 53.44 52.67 2jn3 n ALA 31 Cb 1.02 -0.71 0.21 0.00 0.00 0.00 0.00 19.45 19.98 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 0.77 0.02 -2.70 0.00 -4.01 0.11 -2.97 116.66 107.88 2jn3 n ARG 32 Ca 0.11 0.38 -0.07 0.00 -1.04 0.00 0.00 57.85 57.23 2jn3 n ARG 32 Cb 0.49 -1.55 0.04 0.00 -3.04 0.00 0.00 32.46 28.41 2jn3 n ARG 32 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2jn3 n ASP 33 N -1.59 1.20 -4.06 2.89 -0.08 -1.26 -4.93 116.55 108.72 2jn3 n ASP 33 Ca 0.02 -2.54 -0.32 0.00 -1.51 0.00 0.00 54.79 50.44 2jn3 n ASP 33 Cb 0.10 -0.40 -0.15 0.00 2.34 0.00 0.00 41.12 43.01 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jn3 s ILE 34 N -2.99 2.00 -1.17 5.18 1.01 -1.16 -5.04 121.20 119.03 2jn3 s ILE 34 Ca 0.26 -1.33 -0.14 0.00 0.00 0.00 0.00 60.65 59.44 2jn3 s ILE 34 Cb 0.43 -2.04 0.18 0.00 0.01 0.00 0.00 42.46 41.03 2jn3 s ILE 34 CO 0.01 0.13 1.36 -0.54 0.00 0.00 0.00 174.94 175.91 2jn3 s LYS 35 N 1.22 4.05 0.34 2.79 1.02 -1.26 -5.00 119.74 122.90 2jn3 s LYS 35 Ca -0.04 -2.56 -0.27 0.00 0.02 0.00 0.00 55.97 53.11 2jn3 s LYS 35 Cb -0.18 -4.99 -0.09 0.00 -0.52 0.00 0.00 37.83 32.05 2jn3 s LYS 35 CO -0.07 -1.71 1.12 -1.25 -0.92 0.00 0.00 175.35 172.51 2jn3 s PRO 36 N 1.39 4.37 0.54 -1.68 0.04 -1.26 -4.71 135.00 133.69 2jn3 s PRO 36 Ca 0.40 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 2jn3 s PRO 36 Cb -0.04 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2jn3 s PRO 36 CO -0.02 -0.03 0.82 0.42 0.04 0.00 0.00 177.00 178.24 2jn3 s ILE 37 N -1.34 3.79 -0.18 0.56 1.01 -1.02 -4.00 121.20 120.02 2jn3 s ILE 37 Ca 0.51 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 2jn3 s ILE 37 Cb -0.30 -3.47 0.07 0.00 0.01 0.00 0.00 42.46 38.78 2jn3 s ILE 37 CO 0.38 -0.43 0.13 -0.69 0.00 0.00 0.00 174.94 174.33 2jn3 s VAL 38 N -2.84 -0.16 0.03 2.92 1.01 -0.95 -2.17 120.40 118.25 2jn3 s VAL 38 Ca 0.52 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 2jn3 s VAL 38 Cb -0.10 -0.61 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 2jn3 s VAL 38 CO 0.43 -0.26 0.57 -0.70 0.00 0.00 0.00 175.10 175.14 2jn3 s GLU 39 N 2.19 4.25 -0.10 2.72 2.12 -0.94 -2.31 118.70 126.64 2jn3 s GLU 39 Ca 0.03 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.11 2jn3 s GLU 39 Cb -0.16 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 30.96 2jn3 s GLU 39 CO -0.10 0.52 -0.16 0.42 -0.54 0.00 0.00 175.26 175.39 2jn3 s ILE 40 N -0.68 1.52 -0.55 -3.70 1.01 -0.95 -1.42 121.20 116.43 2jn3 s ILE 40 Ca 0.30 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.33 2jn3 s ILE 40 Cb -0.19 -1.37 0.25 0.00 0.01 0.00 0.00 42.46 41.16 2jn3 s ILE 40 CO 0.18 0.44 0.65 1.67 0.00 0.00 0.00 174.94 177.89 2jn3 n GLN 41 N 3.98 1.83 -1.13 2.79 -0.06 -0.59 -0.42 117.38 123.78 2jn3 n GLN 41 Ca -0.20 -4.13 -0.30 0.00 -2.00 0.00 0.00 57.00 50.37 2jn3 n GLN 41 Cb 0.52 -1.88 0.14 0.00 -4.06 0.00 0.00 30.24 24.96 2jn3 n GLN 41 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2jn3 s GLN 42 N -1.95 1.21 -0.35 3.69 0.74 -1.26 -3.91 119.66 117.83 2jn3 s GLN 42 Ca 0.38 0.91 0.09 0.00 0.05 0.00 0.00 55.36 56.79 2jn3 s GLN 42 Cb 0.15 -1.80 0.34 0.00 1.10 0.00 0.00 33.01 32.81 2jn3 s GLN 42 CO -0.05 -2.30 1.35 1.63 -0.55 0.00 0.00 175.29 175.37 2jn3 n LYS 43 N -3.93 1.09 0.00 1.67 5.02 -1.17 -4.99 118.16 115.85 2jn3 n LYS 43 Ca 0.07 -1.41 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 2jn3 n LYS 43 Cb 0.55 0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 2jn3 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jn3 n GLY 44 N -0.88 1.49 0.26 0.72 0.00 -1.26 -4.55 105.19 100.98 2jn3 n GLY 44 Ca -0.10 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.12 2jn3 n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jn3 n ASP 45 N 0.00 1.34 -4.93 1.61 8.00 -1.26 -4.99 116.55 116.32 2jn3 n ASP 45 Ca 0.00 -1.17 -0.30 0.00 0.71 0.00 0.00 54.79 54.03 2jn3 n ASP 45 Cb 0.00 0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 2jn3 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jn3 s ASP 46 N -1.28 6.36 -0.04 -2.24 2.15 -1.26 -0.61 116.67 119.75 2jn3 s ASP 46 Ca 0.09 0.27 0.01 0.00 0.43 0.00 0.00 52.55 53.35 2jn3 s ASP 46 Cb 0.08 -1.96 0.02 0.00 -0.30 0.00 0.00 42.92 40.76 2jn3 s ASP 46 CO 0.23 0.13 -0.06 -0.36 -0.17 0.00 0.00 175.17 174.94 2jn3 s PHE 47 N -1.59 0.85 -0.26 -5.34 0.40 -0.34 -3.04 117.98 108.66 2jn3 s PHE 47 Ca 0.35 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.46 2jn3 s PHE 47 Cb -0.12 -0.70 0.06 0.00 0.51 0.00 0.00 43.02 42.77 2jn3 s PHE 47 CO 0.28 -0.18 -0.09 0.08 0.70 0.00 0.00 175.22 176.01 2jn3 s VAL 48 N 0.73 2.03 -0.15 -0.44 1.01 -1.25 -1.79 120.40 120.54 2jn3 s VAL 48 Ca -0.11 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 2jn3 s VAL 48 Cb -0.13 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2jn3 s VAL 48 CO 0.01 -0.08 -0.08 -0.69 0.00 0.00 0.00 175.10 174.25 2jn3 s VAL 49 N 1.16 3.43 -0.30 2.92 1.01 -0.75 -1.54 120.40 126.33 2jn3 s VAL 49 Ca -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2jn3 s VAL 49 Cb -0.20 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 33.79 2jn3 s VAL 49 CO -0.06 0.50 0.02 -0.89 0.00 0.00 0.00 175.10 174.68 2jn3 s THR 50 N 0.43 1.80 0.13 3.92 2.01 -0.51 -0.92 115.64 122.50 2jn3 s THR 50 Ca -0.07 -1.82 -0.26 0.00 0.31 0.00 0.00 61.69 59.85 2jn3 s THR 50 Cb -0.15 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.06 2jn3 s THR 50 CO 0.04 -0.44 0.80 -0.44 -0.69 0.00 0.00 174.62 173.89 2jn3 s SER 51 N 1.18 7.37 -0.13 3.53 0.01 -0.23 -2.21 113.70 123.22 2jn3 s SER 51 Ca 0.05 1.62 -0.01 0.00 1.31 0.00 0.00 55.95 58.92 2jn3 s SER 51 Cb -0.19 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.57 2jn3 s SER 51 CO -0.11 0.13 -0.03 -0.54 0.41 0.00 0.00 173.24 173.10 2jn3 s LYS 52 N -0.73 1.12 0.39 12.44 1.02 -0.92 -1.07 119.74 131.99 2jn3 s LYS 52 Ca 0.38 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 56.18 2jn3 s LYS 52 Cb -0.23 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 2jn3 s LYS 52 CO 0.26 -0.38 0.43 0.99 -0.92 0.00 0.00 175.35 175.73 2jn3 s THR 53 N 1.78 3.17 0.19 2.17 2.01 0.22 -2.44 115.64 122.74 2jn3 s THR 53 Ca 0.03 -1.20 0.15 0.00 0.31 0.00 0.00 61.69 60.98 2jn3 s THR 53 Cb -0.14 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.31 2jn3 s THR 53 CO -0.07 -0.06 1.65 1.55 -0.69 0.00 0.00 174.62 176.99 2jn3 h PRO 54 N 0.94 0.00 0.00 4.92 0.13 -1.99 -3.21 132.00 132.80 2jn3 h PRO 54 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 2jn3 h PRO 54 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2jn3 h PRO 54 CO 0.53 0.51 -1.91 -2.13 -0.23 0.00 0.00 178.00 174.77 2jn3 n ARG 55 N -3.62 0.66 -3.51 0.86 0.63 -1.26 -5.01 116.66 105.40 2jn3 n ARG 55 Ca -0.00 -0.04 -0.10 0.00 -0.92 0.00 0.00 57.85 56.78 2jn3 n ARG 55 Cb 0.59 -1.60 -0.02 0.00 0.45 0.00 0.00 32.46 31.87 2jn3 n ARG 55 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2jn3 s GLN 56 N -3.11 1.30 -0.07 -0.14 0.00 -1.21 -5.16 119.66 111.27 2jn3 s GLN 56 Ca -0.07 -0.54 0.02 0.00 -0.00 0.00 0.00 55.36 54.77 2jn3 s GLN 56 Cb 0.10 0.56 0.02 0.00 0.00 0.00 0.00 33.01 33.69 2jn3 s GLN 56 CO 0.86 -0.58 -0.10 0.95 0.00 0.00 0.00 175.29 176.42 2jn3 s THR 57 N -3.68 1.02 -0.09 3.63 -4.23 -1.26 0.70 115.64 111.73 2jn3 s THR 57 Ca 0.04 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.18 2jn3 s THR 57 Cb -0.02 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.87 2jn3 s THR 57 CO -0.09 0.34 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.50 2jn3 s VAL 58 N 0.90 1.34 -0.05 2.29 1.01 -0.23 -4.94 120.40 120.72 2jn3 s VAL 58 Ca -0.10 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2jn3 s VAL 58 Cb -0.15 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2jn3 s VAL 58 CO 0.01 0.40 -0.09 0.28 0.00 0.00 0.00 175.10 175.70 2jn3 s THR 59 N 0.81 3.50 -0.02 3.92 -1.32 -1.26 -1.07 115.64 120.19 2jn3 s THR 59 Ca -0.11 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 2jn3 s THR 59 Cb -0.16 -2.43 0.02 0.00 -1.51 0.00 0.00 72.50 68.42 2jn3 s THR 59 CO 0.02 0.56 -0.00 0.20 -2.21 0.00 0.00 174.62 173.18 2jn3 s ASN 60 N -0.91 0.35 -0.04 8.08 0.02 -0.10 -4.90 114.94 117.43 2jn3 s ASN 60 Ca 0.13 -0.02 0.05 0.00 -1.02 0.00 0.00 52.86 52.00 2jn3 s ASN 60 Cb -0.11 -0.17 -0.01 0.00 0.02 0.00 0.00 41.25 40.98 2jn3 s ASN 60 CO 0.02 -0.08 -0.21 -0.44 0.02 0.00 0.00 177.10 176.41 2jn3 s SER 61 N 0.83 2.59 0.20 -1.22 0.01 -1.26 -1.80 113.70 113.04 2jn3 s SER 61 Ca -0.08 -0.42 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 2jn3 s SER 61 Cb -0.11 -0.64 -0.01 0.00 0.21 0.00 0.00 66.02 65.47 2jn3 s SER 61 CO -0.02 0.21 0.36 0.72 0.41 0.00 0.00 173.24 174.92 2jn3 s PHE 62 N -0.14 0.41 0.10 2.43 -0.12 -0.74 -4.76 117.98 115.16 2jn3 s PHE 62 Ca -0.01 -0.76 0.09 0.00 -0.05 0.00 0.00 56.93 56.19 2jn3 s PHE 62 Cb -0.12 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2jn3 s PHE 62 CO 0.02 -0.83 -0.18 0.99 -0.05 0.00 0.00 175.22 175.17 2jn3 s THR 63 N -4.00 2.81 -0.04 -4.49 2.01 -1.26 -1.20 115.64 109.46 2jn3 s THR 63 Ca 0.20 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 2jn3 s THR 63 Cb 0.02 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2jn3 s THR 63 CO 0.04 0.16 1.15 -0.76 -0.69 0.00 0.00 174.62 174.52 2jn3 s LEU 64 N -1.95 4.29 0.00 4.42 1.43 0.22 -2.91 118.68 124.19 2jn3 s LEU 64 Ca 0.17 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 2jn3 s LEU 64 Cb -0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2jn3 s LEU 64 CO 0.09 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.76 2jn3 n GLY 65 N 3.25 0.77 3.02 -3.19 0.00 -1.07 -4.90 105.19 103.08 2jn3 n GLY 65 Ca 0.10 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.66 0.17 -0.01 1.61 1.02 -1.14 -5.10 119.74 115.61 2jn3 s LYS 66 Ca 0.00 0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.93 2jn3 s LYS 66 Cb 0.00 0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 2jn3 s LYS 66 CO 0.00 -0.04 1.41 -2.00 -0.92 0.00 0.00 175.35 173.80 2jn3 s GLU 67 N 0.23 4.27 0.09 1.68 2.12 -1.26 -4.46 118.70 121.37 2jn3 s GLU 67 Ca -0.01 1.96 0.07 0.00 0.36 0.00 0.00 54.97 57.35 2jn3 s GLU 67 Cb -0.02 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 2jn3 s GLU 67 CO -0.01 -0.60 -0.19 0.00 -0.54 0.00 0.00 175.26 173.92 2jn3 s ALA 68 N 2.58 1.62 0.19 6.30 0.00 -1.08 -4.96 121.76 126.41 2jn3 s ALA 68 Ca 0.64 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 2jn3 s ALA 68 Cb -0.31 -0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.52 2jn3 s ALA 68 CO 0.26 0.31 1.03 -0.51 0.00 0.00 0.00 175.76 176.85 2jn3 s ASP 69 N -1.77 7.41 0.04 0.00 1.01 -1.26 -1.61 116.67 120.49 2jn3 s ASP 69 Ca 0.04 2.02 0.06 0.00 0.71 0.00 0.00 52.55 55.38 2jn3 s ASP 69 Cb -0.10 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 2jn3 s ASP 69 CO 0.03 -0.09 -0.16 -0.63 0.21 0.00 0.00 175.17 174.53 2jn3 s ILE 70 N -0.54 1.30 -0.06 0.77 -1.09 0.83 -4.74 121.20 117.68 2jn3 s ILE 70 Ca 0.46 -1.05 0.05 0.00 -2.23 0.00 0.00 60.65 57.88 2jn3 s ILE 70 Cb -0.28 -1.16 -0.01 0.00 -1.58 0.00 0.00 42.46 39.44 2jn3 s ILE 70 CO 0.34 0.09 -0.23 0.42 -1.23 0.00 0.00 174.94 174.33 2jn3 s THR 71 N -0.81 1.87 0.42 2.92 -4.23 -1.26 -1.86 115.64 112.69 2jn3 s THR 71 Ca 0.04 -0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 2jn3 s THR 71 Cb -0.08 -1.59 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 2jn3 s THR 71 CO 0.01 0.52 0.76 0.42 -0.54 0.00 0.00 174.62 175.80 2jn3 s THR 72 N -0.06 4.84 -0.33 3.99 -4.23 0.21 -4.95 115.64 115.12 2jn3 s THR 72 Ca -0.05 0.44 0.25 0.00 -1.18 0.00 0.00 61.69 61.15 2jn3 s THR 72 Cb -0.14 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 70.20 2jn3 s THR 72 CO 0.04 -0.62 1.76 0.24 -0.54 0.00 0.00 174.62 175.50 2jn3 h MET 73 N 0.94 0.00 0.00 3.99 2.86 -1.97 -2.32 114.93 118.42 2jn3 h MET 73 Ca -0.47 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.11 2jn3 h MET 73 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2jn3 h MET 73 CO 0.63 0.00 -0.47 0.22 1.06 0.00 0.00 176.91 178.35 2jn3 h ASP 74 N 0.00 0.00 0.00 1.22 3.58 -2.03 -3.47 116.42 115.72 2jn3 h ASP 74 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jn3 h ASP 74 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2jn3 h ASP 74 CO 0.00 0.26 0.00 0.61 -2.88 0.00 0.00 179.24 177.23 2jn3 n GLY 75 N 1.19 1.84 3.83 -0.78 0.00 -0.87 -5.12 105.19 105.28 2jn3 n GLY 75 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.01 3.82 -0.10 1.61 1.02 -1.25 -4.90 119.74 119.93 2jn3 s LYS 76 Ca 0.00 0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.14 2jn3 s LYS 76 Cb 0.00 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 2jn3 s LYS 76 CO 0.00 0.62 -0.13 0.15 -0.92 0.00 0.00 175.35 175.07 2jn3 s LYS 77 N -0.72 3.11 0.15 1.68 1.02 -1.26 -0.62 119.74 123.10 2jn3 s LYS 77 Ca 0.19 -0.68 -0.24 0.00 0.02 0.00 0.00 55.97 55.26 2jn3 s LYS 77 Cb -0.14 -2.56 0.07 0.00 -0.52 0.00 0.00 37.83 34.68 2jn3 s LYS 77 CO 0.08 0.35 0.69 -0.48 -0.92 0.00 0.00 175.35 175.06 2jn3 s LEU 78 N -0.00 -0.47 -0.02 3.17 2.34 -0.78 -5.03 118.68 117.89 2jn3 s LEU 78 Ca -0.04 -0.12 -0.00 0.00 0.06 0.00 0.00 54.13 54.04 2jn3 s LEU 78 Cb -0.14 2.50 -0.04 0.00 -0.56 0.00 0.00 46.19 47.95 2jn3 s LEU 78 CO 0.04 -0.97 0.04 -0.54 -1.06 0.00 0.00 176.35 173.86 2jn3 s LYS 79 N -3.65 2.96 -0.12 1.48 1.02 -1.26 -0.12 119.74 120.06 2jn3 s LYS 79 Ca 0.04 -0.51 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 2jn3 s LYS 79 Cb -0.02 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.54 2jn3 s LYS 79 CO -0.08 0.65 0.30 0.00 -0.92 0.00 0.00 175.35 175.30 2jn3 s THR 81 N 0.26 4.83 0.70 0.00 2.01 -1.26 -2.65 115.64 119.53 2jn3 s THR 81 Ca -0.01 -2.37 -0.16 0.00 0.31 0.00 0.00 61.69 59.46 2jn3 s THR 81 Cb -0.03 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.42 2jn3 s THR 81 CO -0.00 -0.93 1.06 0.52 -0.69 0.00 0.00 174.62 174.58 2jn3 n VAL 82 N 4.16 3.30 -3.82 3.82 0.31 -1.26 -4.74 118.33 120.10 2jn3 n VAL 82 Ca 0.05 -0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 2jn3 n VAL 82 Cb 0.43 -1.20 -0.10 0.00 -0.91 0.00 0.00 33.84 32.06 2jn3 n VAL 82 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2jn3 s HIS 83 N -1.72 -0.10 -0.54 3.52 3.76 -1.17 -2.58 115.29 116.45 2jn3 s HIS 83 Ca 0.76 0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 55.72 2jn3 s HIS 83 Cb -0.35 0.03 0.14 0.00 1.11 0.00 0.00 32.58 33.50 2jn3 s HIS 83 CO 0.48 -0.27 0.46 -0.51 -0.85 0.00 0.00 174.74 174.05 2jn3 s LEU 84 N -0.96 6.03 -0.09 0.89 1.43 -1.26 -1.23 118.68 123.48 2jn3 s LEU 84 Ca -0.10 -1.95 -0.00 0.00 -1.03 0.00 0.00 54.13 51.04 2jn3 s LEU 84 Cb -0.05 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2jn3 s LEU 84 CO 0.02 -0.76 -0.06 0.00 0.23 0.00 0.00 176.35 175.78 2jn3 s ALA 85 N 1.33 2.99 -1.71 4.21 0.00 -0.96 -4.56 121.76 123.06 2jn3 s ALA 85 Ca 0.06 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 2jn3 s ALA 85 Cb -0.26 -1.30 0.19 0.00 0.00 0.00 0.00 23.12 21.75 2jn3 s ALA 85 CO 0.00 0.51 0.64 0.09 0.00 0.00 0.00 175.76 177.00 2jn3 n ASN 86 N 2.47 -2.46 -3.22 0.00 4.13 -1.26 0.00 115.26 114.91 2jn3 n ASN 86 Ca -0.18 -1.04 -0.15 0.00 1.68 0.00 0.00 54.58 54.89 2jn3 n ASN 86 Cb 0.53 -2.08 0.08 0.00 -1.54 0.00 0.00 39.78 36.77 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jn3 n GLY 87 N -1.16 -0.45 3.29 7.41 0.00 -1.26 -5.01 105.19 108.00 2jn3 n GLY 87 Ca 0.09 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.30 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 -5.06 0.53 0.48 1.61 1.02 0.10 -4.86 119.74 113.56 2jn3 s LYS 88 Ca 0.09 1.05 -0.24 0.00 0.02 0.00 0.00 55.97 56.89 2jn3 s LYS 88 Cb -0.01 0.60 -0.07 0.00 -0.52 0.00 0.00 37.83 37.83 2jn3 s LYS 88 CO 0.68 -0.46 1.36 -0.11 -0.92 0.00 0.00 175.35 175.90 2jn3 n LEU 89 N 5.42 4.97 -3.50 3.17 0.00 -1.20 -2.27 117.00 123.58 2jn3 n LEU 89 Ca -0.05 1.06 -0.10 0.00 0.00 0.00 0.00 56.01 56.93 2jn3 n LEU 89 Cb 0.51 -1.57 -0.09 0.00 0.00 0.00 0.00 43.42 42.27 2jn3 n LEU 89 CO -0.00 -0.46 -0.04 -0.69 0.00 0.00 0.00 177.39 176.20 2jn3 s VAL 90 N -1.23 -0.60 -0.58 1.96 1.01 -0.37 -2.61 120.40 117.98 2jn3 s VAL 90 Ca 0.65 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 2jn3 s VAL 90 Cb -0.45 -0.72 0.15 0.00 0.00 0.00 0.00 36.38 35.36 2jn3 s VAL 90 CO 0.55 -0.03 0.42 -0.89 0.00 0.00 0.00 175.10 175.15 2jn3 s THR 91 N 2.55 3.99 0.50 3.92 2.01 0.94 -3.03 115.64 126.52 2jn3 s THR 91 Ca 0.06 -2.48 -0.01 0.00 0.31 0.00 0.00 61.69 59.57 2jn3 s THR 91 Cb -0.14 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2jn3 s THR 91 CO -0.14 -0.84 0.74 -1.59 -0.69 0.00 0.00 174.62 172.10 2jn3 s LYS 92 N 0.49 2.97 0.00 4.92 -2.85 -1.26 -0.97 119.74 123.04 2jn3 s LYS 92 Ca 0.13 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 54.71 2jn3 s LYS 92 Cb -0.21 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 33.09 2jn3 s LYS 92 CO -0.04 -0.43 0.00 0.43 0.10 0.00 0.00 175.35 175.41 2jn3 n SER 93 N -2.24 0.00 -1.55 0.03 7.64 -0.84 -4.71 113.62 111.95 2jn3 n SER 93 Ca 0.03 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.80 2jn3 n SER 93 Cb 0.58 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.98 2jn3 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jn3 n GLU 94 N 0.00 2.12 0.00 1.43 2.13 -1.26 -4.47 120.64 120.59 2jn3 n GLU 94 Ca 0.00 -3.11 0.00 0.00 0.66 0.00 0.00 57.16 54.71 2jn3 n GLU 94 Cb 0.00 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 29.75 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 -1.06 0.00 -3.64 5.31 2.85 -1.26 -5.14 118.16 115.22 2jn3 n LYS 95 Ca 0.42 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.66 2jn3 n LYS 95 Cb 1.26 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.60 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 -0.05 0.22 5.58 -0.12 -1.26 -4.69 117.98 117.66 2jn3 s PHE 96 Ca 0.00 0.09 0.10 0.00 -0.05 0.00 0.00 56.93 57.07 2jn3 s PHE 96 Cb 0.00 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 2jn3 s PHE 96 CO 0.00 -0.04 -0.19 0.45 -0.05 0.00 0.00 175.22 175.39 2jn3 s SER 97 N -0.81 3.11 -0.00 1.98 0.15 -0.79 -1.98 113.70 115.36 2jn3 s SER 97 Ca 0.08 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2jn3 s SER 97 Cb -0.02 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2jn3 s SER 97 CO -0.09 -0.01 0.00 -2.28 1.20 0.00 0.00 173.24 172.06 2jn3 s HIS 98 N -2.36 0.03 -0.19 3.44 5.04 -0.14 -2.65 115.29 118.46 2jn3 s HIS 98 Ca 0.23 0.02 -0.09 0.00 -1.54 0.00 0.00 55.06 53.68 2jn3 s HIS 98 Cb -0.05 -0.05 0.07 0.00 0.04 0.00 0.00 32.58 32.59 2jn3 s HIS 98 CO 0.10 -0.02 0.44 -1.21 -2.34 0.00 0.00 174.74 171.72 2jn3 s GLU 99 N 0.17 0.40 0.09 2.88 2.02 0.17 -0.04 118.70 124.38 2jn3 s GLU 99 Ca -0.01 0.93 0.03 0.00 0.02 0.00 0.00 54.97 55.94 2jn3 s GLU 99 Cb -0.02 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 2jn3 s GLU 99 CO -0.00 -0.19 -0.09 -1.14 0.02 0.00 0.00 175.26 173.85 2jn3 s GLN 100 N 1.90 0.81 0.15 1.61 0.74 -1.07 0.32 119.66 124.11 2jn3 s GLN 100 Ca -0.07 -1.15 -0.11 0.00 0.05 0.00 0.00 55.36 54.09 2jn3 s GLN 100 Cb -0.09 -0.44 0.00 0.00 1.10 0.00 0.00 33.01 33.58 2jn3 s GLN 100 CO -0.14 0.06 0.32 -2.00 -0.55 0.00 0.00 175.29 172.98 2jn3 s GLU 101 N -2.86 1.13 -0.07 1.67 2.12 0.13 -3.24 118.70 117.58 2jn3 s GLU 101 Ca 0.05 -1.03 0.02 0.00 0.36 0.00 0.00 54.97 54.37 2jn3 s GLU 101 Cb -0.02 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.79 2jn3 s GLU 101 CO -0.01 -0.42 -0.14 0.54 -0.54 0.00 0.00 175.26 174.69 2jn3 s VAL 102 N -3.91 1.30 -0.37 3.70 0.11 -1.26 -1.28 120.40 118.69 2jn3 s VAL 102 Ca 0.12 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.62 2jn3 s VAL 102 Cb 0.03 -1.17 0.11 0.00 -1.53 0.00 0.00 36.38 33.81 2jn3 s VAL 102 CO -0.04 0.39 0.13 -1.59 -3.33 0.00 0.00 175.10 170.66 2jn3 s LYS 103 N 0.66 1.17 6.08 1.54 -2.85 -0.62 -4.83 119.74 120.88 2jn3 s LYS 103 Ca -0.14 -1.65 0.00 0.00 -1.00 0.00 0.00 55.97 53.18 2jn3 s LYS 103 Cb -0.16 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 33.08 2jn3 s LYS 103 CO 0.04 -1.02 0.00 0.41 0.10 0.00 0.00 175.35 174.88 2jn3 n GLY 104 N 4.24 1.73 0.41 0.59 0.00 -1.26 -3.10 105.19 107.79 2jn3 n GLY 104 Ca 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.78 2jn3 n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jn3 n ASN 105 N 9.59 2.79 -4.46 1.61 6.94 -1.26 -4.70 115.26 125.77 2jn3 n ASN 105 Ca 0.00 -2.47 -0.25 0.00 -0.02 0.00 0.00 54.58 51.84 2jn3 n ASN 105 Cb 0.00 -0.28 -0.11 0.00 -2.36 0.00 0.00 39.78 37.03 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2jn3 s GLU 106 N -1.82 1.65 -0.00 -3.83 2.02 -1.18 -2.18 118.70 113.36 2jn3 s GLU 106 Ca 0.23 -1.66 0.03 0.00 0.02 0.00 0.00 54.97 53.60 2jn3 s GLU 106 Cb 0.17 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.58 2jn3 s GLU 106 CO 0.07 0.36 -0.10 1.41 0.02 0.00 0.00 175.26 177.02 2jn3 s MET 107 N -3.19 0.78 -0.05 1.61 -2.45 0.58 -1.59 119.30 114.99 2jn3 s MET 107 Ca 0.26 -0.40 0.03 0.00 -1.25 0.00 0.00 55.69 54.34 2jn3 s MET 107 Cb -0.06 -0.75 0.00 0.00 1.25 0.00 0.00 34.83 35.27 2jn3 s MET 107 CO 0.13 0.20 -0.15 0.08 1.05 0.00 0.00 175.02 176.34 2jn3 s VAL 108 N -0.33 1.28 -0.16 10.11 1.01 -0.40 0.25 120.40 132.16 2jn3 s VAL 108 Ca 0.03 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2jn3 s VAL 108 Cb -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2jn3 s VAL 108 CO -0.00 0.38 -0.17 -1.61 0.00 0.00 0.00 175.10 173.70 2jn3 s GLU 109 N 0.25 3.14 -0.18 2.72 2.02 0.73 -0.69 118.70 126.68 2jn3 s GLU 109 Ca -0.07 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.12 2jn3 s GLU 109 Cb -0.13 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 2jn3 s GLU 109 CO 0.03 -0.05 -0.10 0.99 0.02 0.00 0.00 175.26 176.15 2jn3 s THR 110 N 0.95 3.04 -0.04 3.63 2.01 0.97 0.15 115.64 126.35 2jn3 s THR 110 Ca -0.03 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2jn3 s THR 110 Cb -0.15 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.04 2jn3 s THR 110 CO -0.03 0.48 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.66 2jn3 s ILE 111 N 1.09 0.81 -0.10 1.82 1.01 -0.71 0.43 121.20 125.55 2jn3 s ILE 111 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 2jn3 s ILE 111 Cb -0.15 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 2jn3 s ILE 111 CO -0.02 0.27 -0.04 0.42 0.00 0.00 0.00 174.94 175.57 2jn3 s THR 112 N 0.49 3.93 -0.25 2.92 -4.23 -1.08 0.39 115.64 117.81 2jn3 s THR 112 Ca -0.08 -0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 2jn3 s THR 112 Cb -0.12 -2.66 0.09 0.00 1.34 0.00 0.00 72.50 71.15 2jn3 s THR 112 CO 0.01 0.56 0.58 0.12 -0.54 0.00 0.00 174.62 175.35 2jn3 s PHE 113 N -0.39 -1.02 -0.88 3.99 2.19 0.24 -1.88 117.98 120.22 2jn3 s PHE 113 Ca 0.06 1.93 -0.05 0.00 0.33 0.00 0.00 56.93 59.21 2jn3 s PHE 113 Cb -0.12 0.56 0.01 0.00 -1.31 0.00 0.00 43.02 42.16 2jn3 s PHE 113 CO 0.02 -0.53 0.62 0.41 1.83 0.00 0.00 175.22 177.57 2jn3 n GLY 114 N 4.87 -0.00 3.21 13.12 0.00 -1.26 -1.73 105.19 123.39 2jn3 n GLY 114 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.37 0.46 3.76 -0.02 0.00 -1.26 -4.97 105.19 101.78 2jn3 n GLY 115 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.30 4.51 -0.11 1.61 1.01 -0.71 -5.11 120.40 119.31 2jn3 s VAL 116 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2jn3 s VAL 116 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.29 2jn3 s VAL 116 CO 0.00 0.27 -0.20 -0.89 0.00 0.00 0.00 175.10 174.28 2jn3 s THR 117 N -1.25 1.82 0.13 3.92 2.01 -1.26 0.80 115.64 121.81 2jn3 s THR 117 Ca 0.25 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2jn3 s THR 117 Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 2jn3 s THR 117 CO 0.16 0.50 0.11 -0.22 -0.69 0.00 0.00 174.62 174.48 2jn3 s LEU 118 N 0.64 3.77 -0.30 4.42 2.96 0.16 -4.93 118.68 125.40 2jn3 s LEU 118 Ca -0.13 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2jn3 s LEU 118 Cb -0.16 -2.41 0.10 0.00 0.50 0.00 0.00 46.19 44.21 2jn3 s LEU 118 CO 0.03 0.11 0.09 -0.63 -1.32 0.00 0.00 176.35 174.63 2jn3 s ILE 119 N -1.61 0.85 -0.24 6.68 1.01 -1.26 -1.73 121.20 124.90 2jn3 s ILE 119 Ca 0.30 -1.31 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 2jn3 s ILE 119 Cb -0.11 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2jn3 s ILE 119 CO 0.22 -0.62 0.09 -0.60 0.00 0.00 0.00 174.94 174.03 2jn3 s ARG 120 N 1.64 3.79 -0.06 2.79 3.52 0.12 -3.83 118.95 126.93 2jn3 s ARG 120 Ca 0.08 -0.42 -0.03 0.00 -0.13 0.00 0.00 55.73 55.24 2jn3 s ARG 120 Cb -0.17 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2jn3 s ARG 120 CO -0.24 -0.08 0.08 -0.98 -0.81 0.00 0.00 175.30 173.27 2jn3 s ARG 121 N 1.36 3.15 0.06 5.12 1.70 -1.12 0.26 118.95 129.48 2jn3 s ARG 121 Ca 0.06 -0.37 0.05 0.00 -0.47 0.00 0.00 55.73 55.00 2jn3 s ARG 121 Cb -0.15 -2.93 -0.03 0.00 -0.57 0.00 0.00 34.95 31.28 2jn3 s ARG 121 CO 0.05 0.70 -0.15 0.45 -1.08 0.00 0.00 175.30 175.27 2jn3 s SER 122 N -1.31 1.77 0.07 -2.89 0.15 0.69 0.47 113.70 112.65 2jn3 s SER 122 Ca 0.18 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.32 2jn3 s SER 122 Cb -0.12 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 2jn3 s SER 122 CO 0.08 -0.00 0.05 -1.59 1.20 0.00 0.00 173.24 172.97 2jn3 s LYS 123 N -1.45 2.79 0.20 5.44 -2.85 0.22 0.22 119.74 124.30 2jn3 s LYS 123 Ca 0.01 -0.71 -0.27 0.00 -1.00 0.00 0.00 55.97 53.99 2jn3 s LYS 123 Cb -0.09 -2.68 -0.08 0.00 -2.06 0.00 0.00 37.83 32.92 2jn3 s LYS 123 CO 0.02 0.57 0.85 0.50 0.10 0.00 0.00 175.35 177.39 2jn3 s ARG 124 N -2.24 4.70 0.00 1.78 3.52 -0.93 0.35 118.95 126.14 2jn3 s ARG 124 Ca 0.27 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 57.18 2jn3 s ARG 124 Cb -0.12 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 2jn3 s ARG 124 CO 0.19 0.54 0.39 1.55 -0.81 0.00 0.00 175.30 177.17