#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 0.14 -3.33 0.00 0.04 -1.97 -3.46 116.94 108.36 2jn3 h PHE 2 Ca 0.00 -0.08 -0.57 0.00 2.80 0.00 0.00 57.97 60.12 2jn3 h PHE 2 Cb 0.00 -0.01 0.13 0.00 2.20 0.00 0.00 35.95 38.27 2jn3 h PHE 2 CO 0.00 0.93 0.34 -1.13 -0.60 0.00 0.00 178.31 177.85 2jn3 n SER 3 N -3.57 1.94 0.00 2.17 3.41 -1.26 -4.55 113.62 111.76 2jn3 n SER 3 Ca -0.02 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2jn3 n SER 3 Cb 0.83 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 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 0.99 0.62 3.55 5.00 0.00 -0.13 -4.92 105.19 110.29 2jn3 n GLY 4 Ca 0.08 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.75 4.09 -0.06 2.61 2.01 -1.26 -1.10 115.64 121.18 2jn3 s THR 5 Ca 0.00 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.76 2jn3 s THR 5 Cb 0.00 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 2jn3 s THR 5 CO 0.00 0.51 -0.24 0.26 -0.69 0.00 0.00 174.62 174.45 2jn3 s TRP 6 N 0.14 2.46 -0.20 4.92 0.52 -0.64 -3.63 118.94 122.52 2jn3 s TRP 6 Ca -0.00 -0.74 -0.00 0.00 0.02 0.00 0.00 56.10 55.38 2jn3 s TRP 6 Cb -0.13 -1.61 0.02 0.00 -1.15 0.00 0.00 33.47 30.59 2jn3 s TRP 6 CO 0.02 -0.23 -0.14 -1.14 0.02 0.00 0.00 176.95 175.49 2jn3 s GLN 7 N -0.12 3.02 0.11 4.98 0.74 -0.27 -1.40 119.66 126.72 2jn3 s GLN 7 Ca -0.05 -0.83 -0.31 0.00 0.05 0.00 0.00 55.36 54.22 2jn3 s GLN 7 Cb -0.14 -2.75 -0.08 0.00 1.10 0.00 0.00 33.01 31.14 2jn3 s GLN 7 CO 0.04 -0.25 1.51 0.08 -0.55 0.00 0.00 175.29 176.11 2jn3 s VAL 8 N 1.33 3.06 0.00 1.34 1.01 -1.25 -1.65 120.40 124.24 2jn3 s VAL 8 Ca 0.04 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2jn3 s VAL 8 Cb -0.14 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2jn3 s VAL 8 CO -0.09 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.04 2jn3 n TYR 9 N 4.46 0.00 -4.05 5.22 4.11 -0.82 -4.76 117.16 121.33 2jn3 n TYR 9 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.86 2jn3 n TYR 9 Cb 0.41 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.59 2jn3 n TYR 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jn3 s ALA 10 N -1.50 0.44 -0.06 -3.48 0.00 -1.21 -5.05 121.76 110.91 2jn3 s ALA 10 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 2jn3 s ALA 10 Cb 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2jn3 s ALA 10 CO 0.00 -0.01 0.10 -0.65 0.00 0.00 0.00 175.76 175.20 2jn3 s GLN 11 N 0.73 -0.03 -0.02 0.00 -0.21 -1.26 -1.18 119.66 117.68 2jn3 s GLN 11 Ca -0.08 0.44 -0.05 0.00 0.02 0.00 0.00 55.36 55.69 2jn3 s GLN 11 Cb -0.11 -0.40 -0.04 0.00 1.00 0.00 0.00 33.01 33.45 2jn3 s GLN 11 CO -0.01 -0.31 0.21 -2.00 -2.12 0.00 0.00 175.29 171.06 2jn3 s GLU 12 N 2.13 3.50 -1.55 2.91 2.12 -1.24 -4.19 118.70 122.39 2jn3 s GLU 12 Ca 0.03 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.18 2jn3 s GLU 12 Cb -0.12 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2jn3 s GLU 12 CO -0.04 0.68 0.00 0.09 -0.54 0.00 0.00 175.26 175.45 2jn3 n ASN 13 N 1.21 -4.65 -0.23 -1.70 4.13 -1.26 -4.04 115.26 108.72 2jn3 n ASN 13 Ca -0.13 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.50 2jn3 n ASN 13 Cb 0.53 -3.95 0.12 0.00 -1.54 0.00 0.00 39.78 34.94 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2jn3 h TYR 14 N 0.00 0.58 -0.25 3.10 5.03 -1.95 -0.52 116.97 122.96 2jn3 h TYR 14 Ca -0.30 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 60.98 2jn3 h TYR 14 Cb 1.09 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 2jn3 h TYR 14 CO 0.49 0.22 -0.09 0.93 -1.32 0.00 0.00 178.16 178.40 2jn3 h GLU 15 N 0.57 0.50 0.76 1.82 3.07 -1.92 -2.20 114.58 117.19 2jn3 h GLU 15 Ca 0.32 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 2jn3 h GLU 15 Cb 0.32 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2jn3 h GLU 15 CO -0.25 0.74 -0.50 0.93 -1.40 0.00 0.00 179.01 178.53 2jn3 h GLU 16 N 0.24 -1.15 -0.07 2.33 5.08 -1.79 0.30 114.58 119.51 2jn3 h GLU 16 Ca 0.06 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2jn3 h GLU 16 Cb 0.57 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2jn3 h GLU 16 CO 0.03 -0.77 -0.39 0.35 -1.00 0.00 0.00 179.01 177.24 2jn3 h PHE 17 N -1.19 -1.09 -0.80 4.33 3.04 -1.18 -1.15 116.94 118.90 2jn3 h PHE 17 Ca -0.10 0.04 0.10 0.00 3.98 0.00 0.00 57.97 61.99 2jn3 h PHE 17 Cb 0.97 0.49 -0.07 0.00 2.56 0.00 0.00 35.95 39.89 2jn3 h PHE 17 CO -0.13 -0.46 0.44 -0.07 -2.02 0.00 0.00 178.31 176.07 2jn3 h LEU 18 N -0.50 0.61 -1.27 0.59 -0.00 -1.30 -0.47 115.31 112.96 2jn3 h LEU 18 Ca 0.07 0.06 0.13 0.00 -0.00 0.00 0.00 57.88 58.13 2jn3 h LEU 18 Cb 0.61 -0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 41.15 2jn3 h LEU 18 CO -0.35 0.34 0.57 0.50 -0.00 0.00 0.00 178.44 179.50 2jn3 h LYS 19 N 0.73 0.72 -0.03 1.13 3.11 0.80 0.64 116.57 123.66 2jn3 h LYS 19 Ca 0.39 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 58.11 2jn3 h LYS 19 Cb 0.39 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 2jn3 h LYS 19 CO -0.26 0.47 -0.37 0.00 -2.81 0.00 0.00 179.45 176.47 2jn3 h ALA 20 N 1.59 1.32 -0.02 5.00 0.00 -0.33 -2.48 119.26 124.34 2jn3 h ALA 20 Ca 0.43 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jn3 h ALA 20 Cb 0.62 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jn3 h ALA 20 CO -0.19 0.50 0.13 1.25 0.00 0.00 0.00 179.25 180.93 2jn3 h LEU 21 N 0.05 0.00 0.00 0.00 5.85 -0.64 -3.45 115.31 117.12 2jn3 h LEU 21 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jn3 h LEU 21 Cb 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2jn3 h LEU 21 CO 0.05 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 2jn3 n ALA 22 N -2.06 0.00 -1.44 1.25 0.00 -0.93 -5.04 120.51 112.29 2jn3 n ALA 22 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 2jn3 n ALA 22 Cb 0.20 -0.45 0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 0.00 2.19 0.20 0.00 1.43 -1.26 -4.99 118.68 116.26 2jn3 s LEU 23 Ca 0.00 1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.99 2jn3 s LEU 23 Cb 0.00 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.53 2jn3 s LEU 23 CO 0.00 -2.45 1.18 -2.16 0.23 0.00 0.00 176.35 173.15 2jn3 s PRO 24 N -5.14 4.52 0.23 1.29 0.04 -1.26 -4.92 135.00 129.76 2jn3 s PRO 24 Ca 0.63 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 63.47 2jn3 s PRO 24 Cb -0.16 -3.23 0.39 0.00 0.04 0.00 0.00 34.50 31.55 2jn3 s PRO 24 CO 0.55 -0.03 1.73 0.93 0.04 0.00 0.00 177.00 180.22 2jn3 h GLU 25 N 4.95 0.41 -0.44 4.56 5.08 -1.99 0.29 114.58 127.44 2jn3 h GLU 25 Ca -0.45 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.01 2jn3 h GLU 25 Cb 1.21 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2jn3 h GLU 25 CO 0.73 0.27 0.40 0.22 -1.00 0.00 0.00 179.01 179.63 2jn3 h ASP 26 N 0.42 0.00 1.05 1.42 1.82 -2.00 0.28 116.42 119.41 2jn3 h ASP 26 Ca 0.38 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.97 2jn3 h ASP 26 Cb 0.54 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 2jn3 h ASP 26 CO -0.38 0.00 -0.98 0.25 -1.61 0.00 0.00 179.24 176.52 2jn3 h LEU 27 N 0.00 0.00 0.14 2.28 5.85 -0.82 -3.18 115.31 119.58 2jn3 h LEU 27 Ca 0.21 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.67 2jn3 h LEU 27 Cb 1.02 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.07 2jn3 h LEU 27 CO -0.00 0.17 -1.10 0.40 -0.34 0.00 0.00 178.44 177.56 2jn3 h ILE 28 N 0.00 1.36 0.00 4.05 2.04 0.25 -1.40 117.51 123.82 2jn3 h ILE 28 Ca -0.04 -2.48 -0.02 0.00 1.00 0.00 0.00 64.86 63.31 2jn3 h ILE 28 Cb 1.17 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 40.13 2jn3 h ILE 28 CO 0.01 0.74 -0.11 0.11 0.00 0.00 0.00 178.15 178.90 2jn3 h LYS 29 N 0.03 0.00 0.01 2.37 1.57 -1.45 0.18 116.57 119.28 2jn3 h LYS 29 Ca -0.18 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.30 2jn3 h LYS 29 Cb 1.83 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.09 2jn3 h LYS 29 CO 0.21 0.11 -1.75 -1.33 -0.57 0.00 0.00 179.45 176.12 2jn3 n MET 30 N -3.18 0.64 -0.12 3.15 2.81 -1.20 -4.09 117.12 115.13 2jn3 n MET 30 Ca 0.02 0.29 0.09 0.00 -1.81 0.00 0.00 57.70 56.29 2jn3 n MET 30 Cb 0.46 -1.78 0.15 0.00 -0.71 0.00 0.00 33.22 31.34 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 -2.59 2.39 0.52 3.04 0.00 -0.53 -4.37 120.51 118.98 2jn3 n ALA 31 Ca -0.18 -0.90 0.06 0.00 0.00 0.00 0.00 53.44 52.42 2jn3 n ALA 31 Cb 1.06 -0.67 0.29 0.00 0.00 0.00 0.00 19.45 20.12 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 1.11 0.13 -2.68 0.00 -4.01 0.63 -3.24 116.66 108.60 2jn3 n ARG 32 Ca 0.14 0.20 -0.08 0.00 -1.04 0.00 0.00 57.85 57.08 2jn3 n ARG 32 Cb 0.50 -1.50 0.06 0.00 -3.04 0.00 0.00 32.46 28.48 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 -1.34 0.21 -4.02 2.89 -0.08 -1.26 -4.97 116.55 107.98 2jn3 n ASP 33 Ca 0.05 -2.61 -0.31 0.00 -1.51 0.00 0.00 54.79 50.42 2jn3 n ASP 33 Cb 0.10 0.04 -0.16 0.00 2.34 0.00 0.00 41.12 43.44 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 -1.91 1.66 -1.02 5.18 1.01 -1.20 -5.06 121.20 119.86 2jn3 s ILE 34 Ca 0.25 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 2jn3 s ILE 34 Cb 0.44 -1.62 0.15 0.00 0.01 0.00 0.00 42.46 41.43 2jn3 s ILE 34 CO -0.01 0.34 1.21 -0.54 0.00 0.00 0.00 174.94 175.95 2jn3 s LYS 35 N 1.43 3.77 0.15 2.79 3.01 -1.26 -5.00 119.74 124.62 2jn3 s LYS 35 Ca 0.02 -2.07 -0.30 0.00 -1.01 0.00 0.00 55.97 52.62 2jn3 s LYS 35 Cb -0.14 -4.95 -0.07 0.00 -1.01 0.00 0.00 37.83 31.66 2jn3 s LYS 35 CO -0.10 -1.75 1.20 -1.25 0.51 0.00 0.00 175.35 173.97 2jn3 s PRO 36 N 2.20 4.47 0.47 -1.68 0.04 -1.26 -4.74 135.00 134.51 2jn3 s PRO 36 Ca 0.35 1.85 -0.07 0.00 0.04 0.00 0.00 61.00 63.17 2jn3 s PRO 36 Cb -0.04 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2jn3 s PRO 36 CO -0.06 -0.14 0.81 0.42 0.04 0.00 0.00 177.00 178.06 2jn3 s ILE 37 N 0.30 4.85 -0.07 0.56 1.01 -0.98 -3.96 121.20 122.92 2jn3 s ILE 37 Ca 0.55 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.57 2jn3 s ILE 37 Cb -0.32 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.36 2jn3 s ILE 37 CO 0.34 -0.78 0.03 -0.69 0.00 0.00 0.00 174.94 173.84 2jn3 s VAL 38 N -2.68 0.14 -0.16 2.92 1.01 -0.49 -1.71 120.40 119.44 2jn3 s VAL 38 Ca 0.49 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 2jn3 s VAL 38 Cb -0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 2jn3 s VAL 38 CO 0.42 0.17 0.18 -0.70 0.00 0.00 0.00 175.10 175.17 2jn3 s GLU 39 N 2.07 3.97 -0.08 2.72 2.12 -0.94 -1.61 118.70 126.95 2jn3 s GLU 39 Ca 0.05 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.32 2jn3 s GLU 39 Cb -0.13 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 2jn3 s GLU 39 CO -0.05 0.45 -0.22 0.42 -0.54 0.00 0.00 175.26 175.32 2jn3 s ILE 40 N -0.10 2.31 -0.41 -3.70 1.01 -0.26 -1.88 121.20 118.17 2jn3 s ILE 40 Ca 0.13 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.91 2jn3 s ILE 40 Cb -0.12 -1.88 0.27 0.00 0.01 0.00 0.00 42.46 40.74 2jn3 s ILE 40 CO 0.02 0.56 0.58 1.67 0.00 0.00 0.00 174.94 177.77 2jn3 n GLN 41 N 3.18 0.95 -1.31 2.79 7.27 -0.85 -0.96 117.38 128.44 2jn3 n GLN 41 Ca -0.18 -3.39 -0.29 0.00 0.07 0.00 0.00 57.00 53.21 2jn3 n GLN 41 Cb 0.52 -1.40 0.14 0.00 2.41 0.00 0.00 30.24 31.92 2jn3 n GLN 41 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2jn3 s GLN 42 N -1.55 1.04 -0.38 3.69 -2.07 -1.26 -3.89 119.66 115.25 2jn3 s GLN 42 Ca 0.37 0.57 0.10 0.00 -1.82 0.00 0.00 55.36 54.57 2jn3 s GLN 42 Cb 0.20 -1.80 0.39 0.00 -1.09 0.00 0.00 33.01 30.71 2jn3 s GLN 42 CO -0.10 -2.32 1.40 1.63 -1.32 0.00 0.00 175.29 174.58 2jn3 n LYS 43 N -3.90 1.22 0.00 9.60 5.02 -1.13 -4.99 118.16 123.98 2jn3 n LYS 43 Ca 0.06 -1.62 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 2jn3 n LYS 43 Cb 0.57 0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 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 -0.85 1.63 0.13 0.72 0.00 -1.26 -4.58 105.19 100.98 2jn3 n GLY 44 Ca -0.07 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 0.88 -4.94 1.61 8.00 -1.26 -5.00 116.55 115.84 2jn3 n ASP 45 Ca 0.00 -0.94 -0.26 0.00 0.71 0.00 0.00 54.79 54.30 2jn3 n ASP 45 Cb 0.00 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 2jn3 n ASP 45 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jn3 s ASP 46 N -1.53 6.34 -0.01 -2.24 1.11 -1.26 -0.15 116.67 118.93 2jn3 s ASP 46 Ca 0.06 0.20 0.00 0.00 0.18 0.00 0.00 52.55 52.99 2jn3 s ASP 46 Cb 0.07 -1.92 0.01 0.00 1.07 0.00 0.00 42.92 42.15 2jn3 s ASP 46 CO 0.29 0.02 -0.00 -0.36 1.18 0.00 0.00 175.17 176.30 2jn3 s PHE 47 N -1.80 0.14 -0.25 4.23 0.40 -0.51 -2.86 117.98 117.34 2jn3 s PHE 47 Ca 0.35 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.71 2jn3 s PHE 47 Cb -0.11 -0.17 0.06 0.00 0.51 0.00 0.00 43.02 43.31 2jn3 s PHE 47 CO 0.29 -0.04 -0.07 0.08 0.70 0.00 0.00 175.22 176.17 2jn3 s VAL 48 N 0.40 1.79 -0.11 -0.44 1.01 -1.25 -1.84 120.40 119.96 2jn3 s VAL 48 Ca -0.04 -1.41 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 2jn3 s VAL 48 Cb -0.06 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2jn3 s VAL 48 CO -0.01 -0.09 -0.08 -0.69 0.00 0.00 0.00 175.10 174.23 2jn3 s VAL 49 N 1.27 3.57 -0.25 2.92 1.01 -0.82 -2.00 120.40 126.09 2jn3 s VAL 49 Ca -0.07 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2jn3 s VAL 49 Cb -0.19 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.76 2jn3 s VAL 49 CO -0.06 0.54 0.02 -0.89 0.00 0.00 0.00 175.10 174.71 2jn3 s THR 50 N -0.11 1.13 0.02 3.92 2.01 -0.79 -0.90 115.64 120.92 2jn3 s THR 50 Ca 0.01 -1.15 -0.22 0.00 0.31 0.00 0.00 61.69 60.64 2jn3 s THR 50 Cb -0.13 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 2jn3 s THR 50 CO 0.03 -0.30 0.64 -0.44 -0.69 0.00 0.00 174.62 173.86 2jn3 s SER 51 N 1.55 7.06 -0.17 3.53 0.01 -0.40 -2.20 113.70 123.07 2jn3 s SER 51 Ca 0.00 1.26 -0.00 0.00 1.31 0.00 0.00 55.95 58.52 2jn3 s SER 51 Cb -0.18 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.70 2jn3 s SER 51 CO -0.11 0.10 -0.05 -0.54 0.41 0.00 0.00 173.24 173.05 2jn3 s LYS 52 N -0.29 1.46 0.39 12.44 1.02 -0.69 -0.84 119.74 133.23 2jn3 s LYS 52 Ca 0.33 -0.56 0.08 0.00 0.02 0.00 0.00 55.97 55.83 2jn3 s LYS 52 Cb -0.19 -2.07 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 2jn3 s LYS 52 CO 0.19 -0.45 0.45 0.95 -0.92 0.00 0.00 175.35 175.58 2jn3 s THR 53 N 1.61 3.20 0.01 2.17 -4.23 0.17 -2.31 115.64 116.25 2jn3 s THR 53 Ca 0.00 -1.15 0.26 0.00 -1.18 0.00 0.00 61.69 59.62 2jn3 s THR 53 Cb -0.16 -3.11 0.29 0.00 1.34 0.00 0.00 72.50 70.87 2jn3 s THR 53 CO -0.08 -0.06 1.82 1.55 -0.54 0.00 0.00 174.62 177.31 2jn3 h PRO 54 N 0.89 0.00 0.00 3.99 0.13 -1.97 -3.13 132.00 131.91 2jn3 h PRO 54 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 2jn3 h PRO 54 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2jn3 h PRO 54 CO 0.52 0.13 -2.00 0.54 -0.23 0.00 0.00 178.00 176.96 2jn3 n ARG 55 N -3.23 0.66 -3.52 0.86 1.74 -1.26 -5.02 116.66 106.89 2jn3 n ARG 55 Ca 0.01 -0.17 -0.08 0.00 -0.77 0.00 0.00 57.85 56.84 2jn3 n ARG 55 Cb 0.43 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 2jn3 n ARG 55 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2jn3 s GLN 56 N -3.42 0.76 -0.04 5.56 -2.07 -1.18 -5.17 119.66 114.11 2jn3 s GLN 56 Ca -0.08 -0.28 0.03 0.00 -1.82 0.00 0.00 55.36 53.21 2jn3 s GLN 56 Cb 0.13 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 2jn3 s GLN 56 CO 0.90 -0.33 -0.13 0.95 -1.32 0.00 0.00 175.29 175.36 2jn3 s THR 57 N -3.03 1.12 -0.05 3.63 -4.23 -1.26 0.42 115.64 112.23 2jn3 s THR 57 Ca 0.06 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 2jn3 s THR 57 Cb -0.01 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.87 2jn3 s THR 57 CO -0.08 0.33 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.57 2jn3 s VAL 58 N 0.19 0.74 -0.08 2.29 1.01 -0.02 -4.96 120.40 119.58 2jn3 s VAL 58 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2jn3 s VAL 58 Cb -0.11 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2jn3 s VAL 58 CO 0.02 0.27 -0.06 -0.89 0.00 0.00 0.00 175.10 174.43 2jn3 s THR 59 N 0.80 3.73 0.09 3.92 2.01 -1.26 -1.28 115.64 123.64 2jn3 s THR 59 Ca -0.13 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2jn3 s THR 59 Cb -0.15 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2jn3 s THR 59 CO 0.02 0.58 -0.08 0.20 -0.69 0.00 0.00 174.62 174.64 2jn3 s ASN 60 N -0.61 1.23 -0.17 3.53 0.01 -0.08 -4.94 114.94 113.91 2jn3 s ASN 60 Ca 0.09 -0.83 -0.08 0.00 -0.71 0.00 0.00 52.86 51.33 2jn3 s ASN 60 Cb -0.12 0.04 0.07 0.00 0.41 0.00 0.00 41.25 41.66 2jn3 s ASN 60 CO 0.02 -0.32 0.40 -0.44 -1.51 0.00 0.00 177.10 175.24 2jn3 s SER 61 N -2.50 -0.37 0.29 -1.22 0.01 -1.26 -1.95 113.70 106.71 2jn3 s SER 61 Ca 0.05 0.89 0.04 0.00 1.31 0.00 0.00 55.95 58.24 2jn3 s SER 61 Cb -0.01 0.92 -0.03 0.00 0.21 0.00 0.00 66.02 67.11 2jn3 s SER 61 CO -0.02 -0.21 0.22 0.72 0.41 0.00 0.00 173.24 174.37 2jn3 s PHE 62 N 1.83 1.57 0.08 2.43 -0.12 -0.76 -4.82 117.98 118.19 2jn3 s PHE 62 Ca -0.06 -1.55 0.10 0.00 -0.05 0.00 0.00 56.93 55.37 2jn3 s PHE 62 Cb -0.10 -0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 41.56 2jn3 s PHE 62 CO -0.12 -0.76 -0.26 0.99 -0.05 0.00 0.00 175.22 175.02 2jn3 s THR 63 N -3.66 2.15 -0.15 -4.49 2.01 -1.26 -1.42 115.64 108.81 2jn3 s THR 63 Ca 0.39 -1.54 -0.28 0.00 0.31 0.00 0.00 61.69 60.57 2jn3 s THR 63 Cb 0.04 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 2jn3 s THR 63 CO 0.22 0.22 0.97 -0.76 -0.69 0.00 0.00 174.62 174.59 2jn3 s LEU 64 N -1.61 4.19 0.00 4.42 1.43 0.79 -3.27 118.68 124.62 2jn3 s LEU 64 Ca 0.12 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 2jn3 s LEU 64 Cb -0.10 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2jn3 s LEU 64 CO 0.04 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.73 2jn3 n GLY 65 N 3.24 0.77 3.13 -3.19 0.00 -1.16 -4.86 105.19 103.11 2jn3 n GLY 65 Ca 0.09 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 1.25 0.00 0.00 0.00 173.32 174.57 2jn3 s LYS 66 N -0.72 0.49 0.12 1.61 2.20 -1.20 -5.10 119.74 117.13 2jn3 s LYS 66 Ca 0.00 -0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.01 2jn3 s LYS 66 Cb 0.00 0.21 -0.07 0.00 -1.51 0.00 0.00 37.83 36.45 2jn3 s LYS 66 CO 0.00 -0.12 1.31 -2.00 -0.36 0.00 0.00 175.35 174.18 2jn3 s GLU 67 N -1.20 4.38 0.02 4.03 2.12 -1.26 -4.48 118.70 122.30 2jn3 s GLU 67 Ca -0.13 1.97 0.04 0.00 0.36 0.00 0.00 54.97 57.21 2jn3 s GLU 67 Cb -0.06 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2jn3 s GLU 67 CO 0.02 -0.33 -0.11 0.00 -0.54 0.00 0.00 175.26 174.30 2jn3 s ALA 68 N 0.86 0.89 0.32 6.30 0.00 -1.19 -4.93 121.76 124.01 2jn3 s ALA 68 Ca 0.61 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.66 2jn3 s ALA 68 Cb -0.34 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 2jn3 s ALA 68 CO 0.32 0.16 1.10 0.16 0.00 0.00 0.00 175.76 177.50 2jn3 s ASP 69 N -0.82 7.07 0.00 0.00 -4.77 -1.26 -2.87 116.67 114.02 2jn3 s ASP 69 Ca 0.00 2.25 0.02 0.00 -3.30 0.00 0.00 52.55 51.52 2jn3 s ASP 69 Cb -0.06 -2.62 -0.01 0.00 -1.09 0.00 0.00 42.92 39.14 2jn3 s ASP 69 CO 0.00 -0.28 -0.05 -0.63 0.70 0.00 0.00 175.17 174.91 2jn3 s ILE 70 N -1.28 0.40 -0.11 2.11 -1.09 -0.53 -4.73 121.20 115.97 2jn3 s ILE 70 Ca 0.49 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.57 2jn3 s ILE 70 Cb -0.30 -0.37 -0.02 0.00 -1.58 0.00 0.00 42.46 40.19 2jn3 s ILE 70 CO 0.39 0.03 -0.13 0.28 -1.23 0.00 0.00 174.94 174.27 2jn3 s THR 71 N -0.32 3.10 0.54 2.92 -1.32 -1.26 -2.44 115.64 116.86 2jn3 s THR 71 Ca -0.00 -0.66 -0.08 0.00 -1.21 0.00 0.00 61.69 59.74 2jn3 s THR 71 Cb -0.03 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.64 2jn3 s THR 71 CO -0.00 0.54 0.90 -0.89 -2.21 0.00 0.00 174.62 172.96 2jn3 s THR 72 N 0.04 4.82 0.11 5.08 2.01 0.36 -4.93 115.64 123.14 2jn3 s THR 72 Ca -0.05 0.51 0.34 0.00 0.31 0.00 0.00 61.69 62.80 2jn3 s THR 72 Cb -0.14 -3.87 0.38 0.00 0.01 0.00 0.00 72.50 68.88 2jn3 s THR 72 CO 0.04 -0.99 2.01 -0.03 -0.69 0.00 0.00 174.62 174.96 2jn3 h MET 73 N -0.02 0.00 0.00 4.92 4.05 -1.98 -2.10 114.93 119.80 2jn3 h MET 73 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 2jn3 h MET 73 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2jn3 h MET 73 CO 0.62 0.00 -0.21 -0.40 0.23 0.00 0.00 176.91 177.15 2jn3 n ASP 74 N -2.97 0.53 0.00 1.39 5.68 -1.26 -4.90 116.55 115.02 2jn3 n ASP 74 Ca 0.00 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 2jn3 n ASP 74 Cb 0.26 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 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 1.39 1.86 3.75 6.12 0.00 -0.79 -5.10 105.19 112.42 2jn3 n GLY 75 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.62 3.83 -0.13 1.61 1.02 -1.25 -4.89 119.74 119.31 2jn3 s LYS 76 Ca 0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 55.97 55.73 2jn3 s LYS 76 Cb 0.00 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 2jn3 s LYS 76 CO 0.00 0.47 -0.05 0.15 -0.92 0.00 0.00 175.35 175.00 2jn3 s LYS 77 N -0.15 3.41 0.08 1.68 1.02 -1.26 -0.49 119.74 124.03 2jn3 s LYS 77 Ca 0.09 -0.53 -0.26 0.00 0.02 0.00 0.00 55.97 55.29 2jn3 s LYS 77 Cb -0.12 -2.81 0.09 0.00 -0.52 0.00 0.00 37.83 34.47 2jn3 s LYS 77 CO 0.01 0.36 0.75 -0.48 -0.92 0.00 0.00 175.35 175.06 2jn3 s LEU 78 N 0.03 -0.46 0.27 3.17 2.34 -1.02 -5.03 118.68 117.97 2jn3 s LEU 78 Ca -0.00 -0.01 0.07 0.00 0.06 0.00 0.00 54.13 54.24 2jn3 s LEU 78 Cb -0.13 2.32 -0.03 0.00 -0.56 0.00 0.00 46.19 47.78 2jn3 s LEU 78 CO 0.03 -0.80 0.24 -0.54 -1.06 0.00 0.00 176.35 174.22 2jn3 s LYS 79 N -3.44 2.97 -0.29 1.48 1.02 -1.26 -1.45 119.74 118.77 2jn3 s LYS 79 Ca 0.03 -1.05 -0.24 0.00 0.02 0.00 0.00 55.97 54.73 2jn3 s LYS 79 Cb -0.01 -2.60 0.14 0.00 -0.52 0.00 0.00 37.83 34.84 2jn3 s LYS 79 CO -0.11 0.35 1.13 0.00 -0.92 0.00 0.00 175.35 175.80 2jn3 s THR 81 N 0.30 5.01 0.33 0.00 2.01 -1.26 -3.14 115.64 118.88 2jn3 s THR 81 Ca 0.03 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.48 2jn3 s THR 81 Cb -0.05 -4.44 -0.10 0.00 0.01 0.00 0.00 72.50 67.93 2jn3 s THR 81 CO -0.09 -1.03 1.24 -0.69 -0.69 0.00 0.00 174.62 173.36 2jn3 s VAL 82 N 2.15 2.94 0.03 3.82 1.01 -1.26 -4.67 120.40 124.42 2jn3 s VAL 82 Ca 0.09 0.92 -0.09 0.00 0.00 0.00 0.00 61.98 62.89 2jn3 s VAL 82 Cb -0.26 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2jn3 s VAL 82 CO 0.04 0.20 0.19 -1.38 0.00 0.00 0.00 175.10 174.15 2jn3 s HIS 83 N -1.19 0.04 -0.19 5.22 -3.43 -1.23 -2.96 115.29 111.56 2jn3 s HIS 83 Ca 0.50 -0.24 -0.12 0.00 -0.80 0.00 0.00 55.06 54.40 2jn3 s HIS 83 Cb -0.37 -0.03 -0.05 0.00 -1.43 0.00 0.00 32.58 30.71 2jn3 s HIS 83 CO 0.48 -0.41 0.21 -0.51 -2.00 0.00 0.00 174.74 172.51 2jn3 s LEU 84 N -1.98 4.22 -0.01 5.38 1.43 -1.26 -1.25 118.68 125.21 2jn3 s LEU 84 Ca -0.06 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2jn3 s LEU 84 Cb -0.02 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 2jn3 s LEU 84 CO -0.03 0.13 0.04 0.00 0.23 0.00 0.00 176.35 176.72 2jn3 s ALA 85 N 0.48 -0.08 -0.56 4.21 0.00 -0.71 -4.79 121.76 120.31 2jn3 s ALA 85 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2jn3 s ALA 85 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2jn3 s ALA 85 CO 0.01 -0.08 0.00 0.09 0.00 0.00 0.00 175.76 175.78 2jn3 n ASN 86 N 2.50 -4.60 -0.71 0.00 5.03 -1.26 -1.44 115.26 114.78 2jn3 n ASN 86 Ca -0.16 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.42 2jn3 n ASN 86 Cb 0.58 -3.21 0.00 0.00 -1.02 0.00 0.00 39.78 36.13 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jn3 n GLY 87 N 0.44 0.55 3.64 7.41 0.00 -1.26 -5.08 105.19 110.90 2jn3 n GLY 87 Ca -0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 2jn3 n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jn3 s LYS 88 N -3.14 0.30 0.52 1.61 -2.85 -0.52 -4.93 119.74 110.74 2jn3 s LYS 88 Ca 0.00 0.44 -0.22 0.00 -1.00 0.00 0.00 55.97 55.19 2jn3 s LYS 88 Cb 0.00 0.10 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 2jn3 s LYS 88 CO 0.00 -0.05 1.36 -1.17 0.10 0.00 0.00 175.35 175.59 2jn3 s LEU 89 N 0.79 3.91 -0.26 2.77 0.20 -1.22 -1.74 118.68 123.13 2jn3 s LEU 89 Ca -0.03 2.76 -0.02 0.00 0.69 0.00 0.00 54.13 57.53 2jn3 s LEU 89 Cb -0.04 -4.21 0.15 0.00 -0.43 0.00 0.00 46.19 41.66 2jn3 s LEU 89 CO -0.12 -1.46 0.44 -0.69 -0.29 0.00 0.00 176.35 174.23 2jn3 s VAL 90 N -1.30 -0.72 -0.47 1.68 1.01 -0.38 -2.37 120.40 117.85 2jn3 s VAL 90 Ca 0.69 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 2jn3 s VAL 90 Cb -0.40 -0.87 0.09 0.00 0.00 0.00 0.00 36.38 35.20 2jn3 s VAL 90 CO 0.48 -0.09 0.38 -0.89 0.00 0.00 0.00 175.10 174.97 2jn3 s THR 91 N 2.63 4.82 0.17 3.92 2.01 -0.21 -3.50 115.64 125.48 2jn3 s THR 91 Ca 0.15 -1.36 0.03 0.00 0.31 0.00 0.00 61.69 60.82 2jn3 s THR 91 Cb -0.15 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2jn3 s THR 91 CO -0.18 -0.66 0.29 -1.59 -0.69 0.00 0.00 174.62 171.80 2jn3 s LYS 92 N 1.53 3.40 0.00 4.92 -2.85 -1.26 -0.51 119.74 124.98 2jn3 s LYS 92 Ca 0.04 -0.66 0.00 0.00 -1.00 0.00 0.00 55.97 54.35 2jn3 s LYS 92 Cb -0.26 -2.92 0.00 0.00 -2.06 0.00 0.00 37.83 32.59 2jn3 s LYS 92 CO 0.04 0.50 0.00 0.45 0.10 0.00 0.00 175.35 176.43 2jn3 n SER 93 N -0.75 0.00 -2.16 0.03 2.88 -0.61 -4.69 113.62 108.31 2jn3 n SER 93 Ca -0.08 -0.37 -0.26 0.00 -1.33 0.00 0.00 58.87 56.84 2jn3 n SER 93 Cb 0.55 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.15 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 2.41 0.00 -1.46 2.13 -1.26 -4.32 120.64 118.14 2jn3 n GLU 94 Ca 0.00 -3.17 0.00 0.00 0.66 0.00 0.00 57.16 54.65 2jn3 n GLU 94 Cb 0.00 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 29.52 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 -1.05 0.00 -3.65 5.31 2.85 -1.26 -5.14 118.16 115.21 2jn3 n LYS 95 Ca 0.58 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.82 2jn3 n LYS 95 Cb 1.24 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 35.56 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 -0.01 0.23 5.58 -0.12 -1.26 -4.80 117.98 117.60 2jn3 s PHE 96 Ca 0.00 0.03 0.11 0.00 -0.05 0.00 0.00 56.93 57.02 2jn3 s PHE 96 Cb 0.00 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 2jn3 s PHE 96 CO 0.00 -0.01 -0.19 -1.12 -0.05 0.00 0.00 175.22 173.85 2jn3 s SER 97 N -0.16 3.65 0.01 1.98 0.01 -0.68 -1.58 113.70 116.92 2jn3 s SER 97 Ca 0.08 -0.89 -0.00 0.00 1.31 0.00 0.00 55.95 56.45 2jn3 s SER 97 Cb -0.04 -0.36 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 2jn3 s SER 97 CO -0.15 0.08 -0.01 -2.28 0.41 0.00 0.00 173.24 171.29 2jn3 s HIS 98 N -2.06 0.08 -0.28 2.43 5.04 0.34 -2.80 115.29 118.04 2jn3 s HIS 98 Ca 0.26 -0.17 -0.09 0.00 -1.54 0.00 0.00 55.06 53.52 2jn3 s HIS 98 Cb -0.07 -0.06 0.13 0.00 0.04 0.00 0.00 32.58 32.62 2jn3 s HIS 98 CO 0.13 -0.07 0.60 -2.00 -2.34 0.00 0.00 174.74 171.06 2jn3 s GLU 99 N -0.49 0.52 0.22 2.88 2.12 0.12 -1.05 118.70 123.02 2jn3 s GLU 99 Ca -0.05 1.33 0.09 0.00 0.36 0.00 0.00 54.97 56.70 2jn3 s GLU 99 Cb -0.03 0.73 -0.05 0.00 0.26 0.00 0.00 34.13 35.04 2jn3 s GLU 99 CO -0.00 -0.25 -0.17 -1.14 -0.54 0.00 0.00 175.26 173.16 2jn3 s GLN 100 N 2.83 1.43 0.01 4.30 0.74 -1.00 0.35 119.66 128.33 2jn3 s GLN 100 Ca -0.03 -1.60 -0.26 0.00 0.05 0.00 0.00 55.36 53.52 2jn3 s GLN 100 Cb -0.12 -1.40 0.06 0.00 1.10 0.00 0.00 33.01 32.65 2jn3 s GLN 100 CO -0.18 0.26 0.59 -2.00 -0.55 0.00 0.00 175.29 173.41 2jn3 s GLU 101 N -3.38 1.04 0.01 1.67 2.12 0.69 -3.43 118.70 117.43 2jn3 s GLU 101 Ca 0.23 -0.02 0.07 0.00 0.36 0.00 0.00 54.97 55.61 2jn3 s GLU 101 Cb -0.03 0.48 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 2jn3 s GLU 101 CO 0.09 -0.36 -0.21 0.54 -0.54 0.00 0.00 175.26 174.78 2jn3 s VAL 102 N -1.90 2.50 -0.43 3.70 0.11 -1.26 0.42 120.40 123.53 2jn3 s VAL 102 Ca -0.08 -1.15 0.02 0.00 -2.93 0.00 0.00 61.98 57.84 2jn3 s VAL 102 Cb -0.01 -1.98 0.13 0.00 -1.53 0.00 0.00 36.38 32.99 2jn3 s VAL 102 CO 0.03 0.44 0.23 -0.54 -3.33 0.00 0.00 175.10 171.93 2jn3 s LYS 103 N -1.08 1.25 6.32 1.54 1.02 -0.04 -4.96 119.74 123.78 2jn3 s LYS 103 Ca 0.12 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.18 2jn3 s LYS 103 Cb -0.10 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2jn3 s LYS 103 CO 0.02 -1.15 0.00 0.41 -0.92 0.00 0.00 175.35 173.72 2jn3 n GLY 104 N 3.65 1.81 0.80 -3.33 0.00 -1.26 -3.05 105.19 103.81 2jn3 n GLY 104 Ca 0.08 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 9.16 2.81 -4.67 1.61 4.13 -1.26 -4.71 115.26 122.33 2jn3 n ASN 105 Ca 0.00 -1.82 -0.23 0.00 1.68 0.00 0.00 54.58 54.21 2jn3 n ASN 105 Cb 0.00 -0.14 -0.07 0.00 -1.54 0.00 0.00 39.78 38.03 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jn3 s GLU 106 N -1.26 2.36 -0.01 3.52 2.02 -1.17 -2.23 118.70 121.93 2jn3 s GLU 106 Ca 0.26 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 53.89 2jn3 s GLU 106 Cb 0.16 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 2jn3 s GLU 106 CO 0.22 0.34 -0.13 -1.64 0.02 0.00 0.00 175.26 174.08 2jn3 s MET 107 N -3.71 1.05 -0.11 1.61 -1.94 0.40 -0.86 119.30 115.74 2jn3 s MET 107 Ca 0.32 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 2jn3 s MET 107 Cb -0.06 -1.02 0.02 0.00 2.01 0.00 0.00 34.83 35.78 2jn3 s MET 107 CO 0.21 0.28 -0.11 0.08 -0.01 0.00 0.00 175.02 175.47 2jn3 s VAL 108 N -0.31 1.24 -0.19 -6.03 1.01 0.17 0.65 120.40 116.93 2jn3 s VAL 108 Ca 0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 2jn3 s VAL 108 Cb -0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2jn3 s VAL 108 CO -0.00 0.40 0.06 -1.61 0.00 0.00 0.00 175.10 173.95 2jn3 s GLU 109 N 1.39 3.91 -0.22 2.72 2.02 0.97 -0.22 118.70 129.26 2jn3 s GLU 109 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.64 2jn3 s GLU 109 Cb -0.13 -3.23 0.04 0.00 0.10 0.00 0.00 34.13 30.91 2jn3 s GLU 109 CO -0.06 0.19 -0.14 0.99 0.02 0.00 0.00 175.26 176.25 2jn3 s THR 110 N 0.60 2.08 -0.03 3.63 2.01 1.08 -1.18 115.64 123.83 2jn3 s THR 110 Ca 0.03 -1.30 0.05 0.00 0.31 0.00 0.00 61.69 60.77 2jn3 s THR 110 Cb -0.13 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2jn3 s THR 110 CO 0.01 0.21 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.36 2jn3 s ILE 111 N 1.20 1.42 -0.10 1.82 1.01 -0.89 0.15 121.20 125.81 2jn3 s ILE 111 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2jn3 s ILE 111 Cb -0.17 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2jn3 s ILE 111 CO -0.08 0.41 -0.10 -0.89 0.00 0.00 0.00 174.94 174.27 2jn3 s THR 112 N -0.09 3.36 -0.25 2.92 2.01 -1.12 -0.22 115.64 122.25 2jn3 s THR 112 Ca -0.01 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 2jn3 s THR 112 Cb -0.10 -2.39 0.08 0.00 0.01 0.00 0.00 72.50 70.10 2jn3 s THR 112 CO 0.01 0.55 0.60 0.12 -0.69 0.00 0.00 174.62 175.22 2jn3 s PHE 113 N -0.16 -0.97 -1.10 4.92 2.19 0.17 -1.69 117.98 121.34 2jn3 s PHE 113 Ca 0.01 1.93 -0.04 0.00 0.33 0.00 0.00 56.93 59.15 2jn3 s PHE 113 Cb -0.13 0.55 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 2jn3 s PHE 113 CO 0.03 -0.50 0.58 0.41 1.83 0.00 0.00 175.22 177.57 2jn3 n GLY 114 N 4.48 -0.18 2.48 13.12 0.00 -1.26 -1.50 105.19 122.33 2jn3 n GLY 114 Ca -0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.41 0.59 3.37 -0.02 0.00 -1.26 -4.98 105.19 101.47 2jn3 n GLY 115 Ca -0.06 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.78 2.58 -0.12 1.61 1.01 -0.56 -5.12 120.40 118.02 2jn3 s VAL 116 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2jn3 s VAL 116 Cb 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2jn3 s VAL 116 CO 0.00 0.57 -0.13 -0.89 0.00 0.00 0.00 175.10 174.65 2jn3 s THR 117 N -0.36 3.05 0.04 3.92 2.01 -1.26 0.46 115.64 123.50 2jn3 s THR 117 Ca 0.03 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2jn3 s THR 117 Cb -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2jn3 s THR 117 CO 0.02 0.54 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.23 2jn3 s LEU 118 N 0.16 3.31 -0.39 4.42 2.96 0.69 -4.89 118.68 124.93 2jn3 s LEU 118 Ca -0.07 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2jn3 s LEU 118 Cb -0.15 -1.96 0.12 0.00 0.50 0.00 0.00 46.19 44.70 2jn3 s LEU 118 CO 0.05 0.24 0.18 -0.63 -1.32 0.00 0.00 176.35 174.87 2jn3 s ILE 119 N -1.12 1.36 -0.12 6.68 1.01 -1.25 -2.10 121.20 125.65 2jn3 s ILE 119 Ca 0.20 -2.19 -0.20 0.00 0.00 0.00 0.00 60.65 58.47 2jn3 s ILE 119 Cb -0.11 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2jn3 s ILE 119 CO 0.12 -0.79 0.54 -0.13 0.00 0.00 0.00 174.94 174.67 2jn3 s ARG 120 N 0.79 4.34 -0.21 2.79 0.52 -0.32 -3.62 118.95 123.24 2jn3 s ARG 120 Ca 0.14 0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 55.84 2jn3 s ARG 120 Cb -0.22 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.76 2jn3 s ARG 120 CO -0.08 0.08 0.06 1.03 0.02 0.00 0.00 175.30 176.41 2jn3 s ARG 121 N 0.83 3.81 0.13 3.54 0.52 -0.33 -0.02 118.95 127.43 2jn3 s ARG 121 Ca 0.29 -0.42 0.10 0.00 -0.52 0.00 0.00 55.73 55.18 2jn3 s ARG 121 Cb -0.16 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2jn3 s ARG 121 CO 0.12 0.08 -0.23 -1.12 0.02 0.00 0.00 175.30 174.17 2jn3 s SER 122 N 0.88 2.94 0.23 0.23 0.01 0.21 -1.94 113.70 116.25 2jn3 s SER 122 Ca 0.03 -0.74 0.11 0.00 1.31 0.00 0.00 55.95 56.66 2jn3 s SER 122 Cb -0.14 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 2jn3 s SER 122 CO 0.02 0.10 -0.19 -0.75 0.41 0.00 0.00 173.24 172.84 2jn3 s LYS 123 N -2.12 1.71 0.08 12.44 2.20 -0.66 0.15 119.74 133.55 2jn3 s LYS 123 Ca 0.12 -1.57 -0.26 0.00 -0.36 0.00 0.00 55.97 53.90 2jn3 s LYS 123 Cb -0.09 -1.89 -0.06 0.00 -1.51 0.00 0.00 37.83 34.28 2jn3 s LYS 123 CO 0.06 0.38 0.81 0.50 -0.36 0.00 0.00 175.35 176.74 2jn3 s ARG 124 N -3.06 4.56 0.00 4.03 3.52 -0.95 -1.12 118.95 125.93 2jn3 s ARG 124 Ca 0.25 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 2jn3 s ARG 124 Cb -0.07 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 2jn3 s ARG 124 CO 0.13 0.32 0.00 1.33 -0.81 0.00 0.00 175.30 176.27