#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 0.53 -3.88 0.00 -1.00 -1.97 -3.45 116.94 107.17 2jn3 h PHE 2 Ca 0.00 -0.32 -0.55 0.00 2.81 0.00 0.00 57.97 59.91 2jn3 h PHE 2 Cb 0.00 -0.05 0.13 0.00 3.61 0.00 0.00 35.95 39.65 2jn3 h PHE 2 CO 0.00 1.17 0.59 0.43 -1.61 0.00 0.00 178.31 178.89 2jn3 n SER 3 N -3.66 2.79 0.00 2.17 7.64 -1.26 -4.55 113.62 116.74 2jn3 n SER 3 Ca -0.07 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2jn3 n SER 3 Cb 0.89 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 0.73 1.63 3.70 0.23 0.00 -0.03 -4.93 105.19 106.52 2jn3 n GLY 4 Ca 0.08 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.38 4.86 0.02 2.61 -4.23 -1.26 -1.32 115.64 114.94 2jn3 s THR 5 Ca 0.00 -0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.57 2jn3 s THR 5 Cb 0.00 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 2jn3 s THR 5 CO 0.00 0.52 -0.23 0.26 -0.54 0.00 0.00 174.62 174.63 2jn3 s TRP 6 N -0.18 2.05 -0.17 3.99 0.52 -0.55 -2.44 118.94 122.16 2jn3 s TRP 6 Ca 0.08 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.81 2jn3 s TRP 6 Cb -0.12 -1.26 0.03 0.00 -1.15 0.00 0.00 33.47 30.97 2jn3 s TRP 6 CO 0.01 0.06 -0.15 -1.14 0.02 0.00 0.00 176.95 175.75 2jn3 s GLN 7 N -0.96 2.39 0.12 4.98 0.74 -0.26 -1.61 119.66 125.06 2jn3 s GLN 7 Ca 0.09 -0.71 -0.31 0.00 0.05 0.00 0.00 55.36 54.49 2jn3 s GLN 7 Cb -0.09 -2.30 -0.09 0.00 1.10 0.00 0.00 33.01 31.63 2jn3 s GLN 7 CO 0.01 -0.28 1.60 0.08 -0.55 0.00 0.00 175.29 176.15 2jn3 s VAL 8 N 1.41 2.83 0.00 1.34 1.01 -1.25 -1.89 120.40 123.84 2jn3 s VAL 8 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2jn3 s VAL 8 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2jn3 s VAL 8 CO -0.10 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.01 2jn3 n TYR 9 N 4.72 0.00 -4.33 5.22 4.11 -0.85 -4.78 117.16 121.26 2jn3 n TYR 9 Ca 0.15 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.84 2jn3 n TYR 9 Cb 0.39 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.58 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 0.81 -0.14 -3.48 0.00 -1.20 -5.04 121.76 111.20 2jn3 s ALA 10 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 2jn3 s ALA 10 Cb 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.83 2jn3 s ALA 10 CO 0.00 0.09 0.26 1.14 0.00 0.00 0.00 175.76 177.25 2jn3 s GLN 11 N 0.43 0.15 0.10 0.00 -2.07 -1.26 -1.02 119.66 115.98 2jn3 s GLN 11 Ca -0.07 0.67 -0.04 0.00 -1.82 0.00 0.00 55.36 54.11 2jn3 s GLN 11 Cb -0.11 -0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 31.58 2jn3 s GLN 11 CO 0.01 -0.34 0.31 -2.00 -1.32 0.00 0.00 175.29 171.95 2jn3 s GLU 12 N 2.41 3.56 -1.41 9.60 2.56 -1.23 -4.16 118.70 130.04 2jn3 s GLU 12 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.97 54.81 2jn3 s GLU 12 Cb -0.13 -2.94 0.00 0.00 2.00 0.00 0.00 34.13 33.06 2jn3 s GLU 12 CO -0.09 0.54 0.00 0.09 -0.56 0.00 0.00 175.26 175.24 2jn3 n ASN 13 N 0.33 -3.74 -0.25 -1.70 4.13 -1.26 -3.96 115.26 108.81 2jn3 n ASN 13 Ca -0.05 0.31 -0.05 0.00 1.68 0.00 0.00 54.58 56.47 2jn3 n ASN 13 Cb 0.52 -3.41 0.06 0.00 -1.54 0.00 0.00 39.78 35.41 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 0.89 -0.18 3.10 3.20 -1.93 -1.04 116.97 121.02 2jn3 h TYR 14 Ca -0.29 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.53 2jn3 h TYR 14 Cb 0.96 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 2jn3 h TYR 14 CO 0.44 0.57 -0.16 1.05 -1.64 0.00 0.00 178.16 178.42 2jn3 h GLU 15 N 0.96 0.42 0.76 1.82 4.11 -1.91 -2.17 114.58 118.56 2jn3 h GLU 15 Ca 0.26 -0.22 -0.03 0.00 0.07 0.00 0.00 59.36 59.44 2jn3 h GLU 15 Cb -0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2jn3 h GLU 15 CO -0.05 0.77 -0.48 0.93 0.07 0.00 0.00 179.01 180.25 2jn3 h GLU 16 N 0.08 -1.12 -0.20 1.06 5.08 -1.89 0.68 114.58 118.27 2jn3 h GLU 16 Ca 0.03 0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2jn3 h GLU 16 Cb 0.69 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 2jn3 h GLU 16 CO 0.04 -0.75 -0.26 0.35 -1.00 0.00 0.00 179.01 177.39 2jn3 h PHE 17 N -1.17 -0.70 -0.30 4.33 3.57 -1.28 -1.87 116.94 119.52 2jn3 h PHE 17 Ca -0.10 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.45 2jn3 h PHE 17 Cb 0.94 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 2jn3 h PHE 17 CO -0.11 -0.34 0.18 -0.07 -2.23 0.00 0.00 178.31 175.74 2jn3 h LEU 18 N -0.29 0.29 -1.13 0.59 3.38 -1.27 -2.07 115.31 114.81 2jn3 h LEU 18 Ca 0.12 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.35 2jn3 h LEU 18 Cb 0.48 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 2jn3 h LEU 18 CO -0.37 0.21 0.62 0.11 0.09 0.00 0.00 178.44 179.11 2jn3 h LYS 19 N 0.37 0.49 0.00 1.13 1.57 0.11 0.87 116.57 121.12 2jn3 h LYS 19 Ca 0.12 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2jn3 h LYS 19 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2jn3 h LYS 19 CO -0.05 0.33 -0.21 0.00 -0.57 0.00 0.00 179.45 178.95 2jn3 h ALA 20 N 1.69 1.16 0.00 3.86 0.00 -0.67 -2.49 119.26 122.82 2jn3 h ALA 20 Ca 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2jn3 h ALA 20 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jn3 h ALA 20 CO -0.42 0.26 0.00 1.25 0.00 0.00 0.00 179.25 180.34 2jn3 h LEU 21 N 0.00 0.00 0.00 0.00 5.85 0.91 -3.46 115.31 118.61 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 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2jn3 h LEU 21 CO 0.03 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 2jn3 n ALA 22 N -2.01 0.00 -1.43 1.25 0.00 -0.94 -5.04 120.51 112.35 2jn3 n ALA 22 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2jn3 n ALA 22 Cb 0.07 -0.43 0.09 0.00 0.00 0.00 0.00 19.45 19.18 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 2.69 0.29 0.00 1.43 -1.26 -4.99 118.68 116.84 2jn3 s LEU 23 Ca 0.00 1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 54.30 2jn3 s LEU 23 Cb 0.00 -4.12 -0.10 0.00 0.03 0.00 0.00 46.19 42.00 2jn3 s LEU 23 CO 0.00 -2.04 1.13 -2.16 0.23 0.00 0.00 176.35 173.52 2jn3 s PRO 24 N -5.04 4.58 0.21 1.29 0.04 -1.26 -4.91 135.00 129.90 2jn3 s PRO 24 Ca 0.61 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 2jn3 s PRO 24 Cb -0.16 -3.15 0.24 0.00 0.04 0.00 0.00 34.50 31.47 2jn3 s PRO 24 CO 0.55 0.13 1.79 1.05 0.04 0.00 0.00 177.00 180.56 2jn3 h GLU 25 N 3.70 0.57 -0.95 4.56 4.11 -1.99 -0.67 114.58 123.91 2jn3 h GLU 25 Ca -0.47 -0.03 0.21 0.00 0.07 0.00 0.00 59.36 59.13 2jn3 h GLU 25 Cb 1.21 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 2jn3 h GLU 25 CO 0.66 0.38 0.62 -0.44 0.07 0.00 0.00 179.01 180.30 2jn3 h ASP 26 N 0.59 0.52 1.42 3.06 3.32 -2.00 0.29 116.42 123.62 2jn3 h ASP 26 Ca 0.29 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 2jn3 h ASP 26 Cb 0.24 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2jn3 h ASP 26 CO -0.21 0.19 -0.60 0.25 -1.72 0.00 0.00 179.24 177.14 2jn3 h LEU 27 N 0.51 0.00 -0.04 1.55 5.85 -1.55 -3.01 115.31 118.62 2jn3 h LEU 27 Ca 0.52 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 59.01 2jn3 h LEU 27 Cb 1.14 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.19 2jn3 h LEU 27 CO -0.25 0.33 -0.88 0.40 -0.34 0.00 0.00 178.44 177.71 2jn3 h ILE 28 N 0.00 1.31 0.00 4.05 2.04 0.68 -1.19 117.51 124.40 2jn3 h ILE 28 Ca -0.03 -2.13 -0.05 0.00 1.00 0.00 0.00 64.86 63.65 2jn3 h ILE 28 Cb 1.28 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.68 2jn3 h ILE 28 CO 0.04 0.66 -0.23 0.11 0.00 0.00 0.00 178.15 178.72 2jn3 h LYS 29 N 0.32 0.00 0.00 2.37 1.57 -1.20 -0.52 116.57 119.11 2jn3 h LYS 29 Ca -0.10 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.48 2jn3 h LYS 29 Cb 1.54 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.81 2jn3 h LYS 29 CO 0.18 0.23 -1.34 0.52 -0.57 0.00 0.00 179.45 178.47 2jn3 h MET 30 N 0.00 0.00 -0.28 3.15 2.86 -1.52 -3.33 114.93 115.80 2jn3 h MET 30 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jn3 h MET 30 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2jn3 h MET 30 CO 0.03 0.44 0.00 0.00 1.06 0.00 0.00 176.91 178.44 2jn3 n ALA 31 N -2.41 2.38 1.07 6.32 0.00 -0.45 -4.38 120.51 123.04 2jn3 n ALA 31 Ca -0.09 -0.92 0.07 0.00 0.00 0.00 0.00 53.44 52.50 2jn3 n ALA 31 Cb 0.89 -0.67 0.43 0.00 0.00 0.00 0.00 19.45 20.11 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 1.10 0.53 -2.72 0.00 1.85 -0.21 -3.22 116.66 114.00 2jn3 n ARG 32 Ca 0.15 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.97 2jn3 n ARG 32 Cb 0.50 -1.42 0.10 0.00 -1.05 0.00 0.00 32.46 30.59 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 -0.92 -0.60 -4.07 2.89 9.92 -1.26 -5.07 116.55 117.43 2jn3 n ASP 33 Ca 0.11 -2.23 -0.32 0.00 -0.53 0.00 0.00 54.79 51.81 2jn3 n ASP 33 Cb 0.05 0.37 -0.16 0.00 -0.64 0.00 0.00 41.12 40.74 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jn3 s ILE 34 N -1.04 1.94 -0.91 0.53 1.01 -1.20 -5.06 121.20 116.48 2jn3 s ILE 34 Ca 0.16 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 2jn3 s ILE 34 Cb 0.41 -1.87 0.17 0.00 0.01 0.00 0.00 42.46 41.19 2jn3 s ILE 34 CO -0.09 0.35 1.00 -0.54 0.00 0.00 0.00 174.94 175.66 2jn3 s LYS 35 N 1.30 3.65 0.25 2.79 3.01 -1.26 -5.02 119.74 124.45 2jn3 s LYS 35 Ca 0.01 -2.13 -0.30 0.00 -1.01 0.00 0.00 55.97 52.55 2jn3 s LYS 35 Cb -0.15 -4.72 -0.09 0.00 -1.01 0.00 0.00 37.83 31.86 2jn3 s LYS 35 CO -0.10 -1.56 1.15 -1.25 0.51 0.00 0.00 175.35 174.10 2jn3 s PRO 36 N 1.49 4.56 0.50 -1.68 0.04 -1.26 -4.76 135.00 133.90 2jn3 s PRO 36 Ca 0.27 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 2jn3 s PRO 36 Cb -0.07 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 2jn3 s PRO 36 CO -0.09 0.06 0.80 0.42 0.04 0.00 0.00 177.00 178.24 2jn3 s ILE 37 N -0.73 4.56 -0.04 0.56 1.01 -1.07 -3.94 121.20 121.55 2jn3 s ILE 37 Ca 0.48 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.21 2jn3 s ILE 37 Cb -0.33 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.43 2jn3 s ILE 37 CO 0.40 -0.72 0.06 -0.69 0.00 0.00 0.00 174.94 173.99 2jn3 s VAL 38 N -2.78 -0.09 -0.13 2.92 1.01 -0.63 -2.28 120.40 118.42 2jn3 s VAL 38 Ca 0.49 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.81 2jn3 s VAL 38 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2jn3 s VAL 38 CO 0.44 0.17 0.11 -0.70 0.00 0.00 0.00 175.10 175.12 2jn3 s GLU 39 N 2.06 3.47 -0.06 2.72 2.12 -0.87 -1.48 118.70 126.65 2jn3 s GLU 39 Ca 0.04 -0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.20 2jn3 s GLU 39 Cb -0.12 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.13 2jn3 s GLU 39 CO -0.03 0.68 -0.18 0.42 -0.54 0.00 0.00 175.26 175.61 2jn3 s ILE 40 N -0.76 1.54 -0.43 -3.70 1.01 -0.44 -1.64 121.20 116.77 2jn3 s ILE 40 Ca 0.13 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.10 2jn3 s ILE 40 Cb -0.12 -1.34 0.23 0.00 0.01 0.00 0.00 42.46 41.25 2jn3 s ILE 40 CO 0.03 0.44 0.51 1.67 0.00 0.00 0.00 174.94 177.59 2jn3 n GLN 41 N 3.38 0.84 -1.64 2.79 7.27 -0.70 -0.85 117.38 128.47 2jn3 n GLN 41 Ca -0.19 -3.41 -0.29 0.00 0.07 0.00 0.00 57.00 53.17 2jn3 n GLN 41 Cb 0.53 -1.46 0.12 0.00 2.41 0.00 0.00 30.24 31.84 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 -1.07 1.44 -0.37 3.69 -2.07 -1.26 -3.77 119.66 116.24 2jn3 s GLN 42 Ca 0.35 0.26 0.10 0.00 -1.82 0.00 0.00 55.36 54.25 2jn3 s GLN 42 Cb 0.13 -1.88 0.37 0.00 -1.09 0.00 0.00 33.01 30.55 2jn3 s GLN 42 CO -0.12 -1.99 1.39 1.63 -1.32 0.00 0.00 175.29 174.88 2jn3 n LYS 43 N -3.62 1.18 0.00 9.60 5.02 -1.12 -4.98 118.16 124.24 2jn3 n LYS 43 Ca 0.07 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 2jn3 n LYS 43 Cb 0.60 0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.71 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 1.64 0.12 0.72 0.00 -1.26 -4.60 105.19 100.93 2jn3 n GLY 44 Ca -0.09 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 0.84 -4.93 1.61 8.00 -1.26 -5.00 116.55 115.81 2jn3 n ASP 45 Ca 0.00 -0.92 -0.28 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 -1.48 6.35 -0.01 -2.24 1.01 -1.26 -0.41 116.67 118.63 2jn3 s ASP 46 Ca 0.06 0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.56 2jn3 s ASP 46 Cb 0.07 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 42.06 2jn3 s ASP 46 CO 0.27 0.10 -0.04 -0.36 0.21 0.00 0.00 175.17 175.35 2jn3 s PHE 47 N -1.65 0.44 -0.24 4.23 0.40 -0.15 -2.80 117.98 118.22 2jn3 s PHE 47 Ca 0.35 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 2jn3 s PHE 47 Cb -0.12 -0.32 0.06 0.00 0.51 0.00 0.00 43.02 43.15 2jn3 s PHE 47 CO 0.28 -0.04 -0.05 0.08 0.70 0.00 0.00 175.22 176.20 2jn3 s VAL 48 N 0.10 1.54 -0.11 -0.44 1.01 -1.25 -1.63 120.40 119.63 2jn3 s VAL 48 Ca -0.01 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 2jn3 s VAL 48 Cb -0.04 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2jn3 s VAL 48 CO -0.00 -0.12 -0.08 -0.69 0.00 0.00 0.00 175.10 174.21 2jn3 s VAL 49 N 1.39 3.55 -0.21 2.92 1.01 -0.49 -1.71 120.40 126.85 2jn3 s VAL 49 Ca -0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2jn3 s VAL 49 Cb -0.19 -2.49 0.06 0.00 0.00 0.00 0.00 36.38 33.76 2jn3 s VAL 49 CO -0.07 0.55 0.00 -0.89 0.00 0.00 0.00 175.10 174.69 2jn3 s THR 50 N -0.16 0.91 -0.02 3.92 2.01 -0.65 -0.46 115.64 121.19 2jn3 s THR 50 Ca 0.01 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 2jn3 s THR 50 Cb -0.13 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 2jn3 s THR 50 CO 0.03 -0.17 0.53 -0.44 -0.69 0.00 0.00 174.62 173.87 2jn3 s SER 51 N 1.68 6.88 -0.12 3.53 0.01 -0.15 -2.06 113.70 123.47 2jn3 s SER 51 Ca -0.03 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2jn3 s SER 51 Cb -0.18 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2jn3 s SER 51 CO -0.07 0.13 -0.11 -0.54 0.41 0.00 0.00 173.24 173.06 2jn3 s LYS 52 N -0.23 1.85 0.40 12.44 1.02 -0.96 -0.79 119.74 133.46 2jn3 s LYS 52 Ca 0.28 -0.40 0.08 0.00 0.02 0.00 0.00 55.97 55.95 2jn3 s LYS 52 Cb -0.17 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2jn3 s LYS 52 CO 0.15 -0.19 0.31 0.95 -0.92 0.00 0.00 175.35 175.64 2jn3 s THR 53 N 1.41 2.74 -0.29 2.17 -4.23 0.23 -2.61 115.64 115.06 2jn3 s THR 53 Ca 0.01 -1.45 0.28 0.00 -1.18 0.00 0.00 61.69 59.35 2jn3 s THR 53 Cb -0.13 -3.02 0.32 0.00 1.34 0.00 0.00 72.50 71.01 2jn3 s THR 53 CO -0.06 -0.04 1.81 1.55 -0.54 0.00 0.00 174.62 177.34 2jn3 h PRO 54 N 1.18 0.00 0.00 3.99 0.13 -1.99 -3.16 132.00 132.14 2jn3 h PRO 54 Ca -0.42 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 2jn3 h PRO 54 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2jn3 h PRO 54 CO 0.60 0.00 -1.84 -2.13 -0.23 0.00 0.00 178.00 174.41 2jn3 n ARG 55 N -2.70 0.94 -3.61 0.86 0.00 -1.26 -5.05 116.66 105.84 2jn3 n ARG 55 Ca 0.02 -0.09 -0.08 0.00 -0.00 0.00 0.00 57.85 57.70 2jn3 n ARG 55 Cb 0.33 -1.38 -0.02 0.00 0.00 0.00 0.00 32.46 31.40 2jn3 n ARG 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2jn3 s GLN 56 N -2.79 1.29 -0.06 -0.14 -2.07 -1.20 -5.16 119.66 109.52 2jn3 s GLN 56 Ca -0.06 -0.60 0.01 0.00 -1.82 0.00 0.00 55.36 52.89 2jn3 s GLN 56 Cb 0.08 0.51 0.02 0.00 -1.09 0.00 0.00 33.01 32.53 2jn3 s GLN 56 CO 0.63 -0.58 -0.07 0.95 -1.32 0.00 0.00 175.29 174.91 2jn3 s THR 57 N -3.56 0.77 -0.06 3.63 -4.23 -1.26 0.74 115.64 111.67 2jn3 s THR 57 Ca 0.06 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.37 2jn3 s THR 57 Cb -0.02 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.06 2jn3 s THR 57 CO -0.04 0.28 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.46 2jn3 s VAL 58 N 0.97 1.48 -0.08 2.29 1.01 0.03 -4.97 120.40 121.13 2jn3 s VAL 58 Ca -0.10 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2jn3 s VAL 58 Cb -0.15 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2jn3 s VAL 58 CO 0.00 0.43 -0.11 -0.89 0.00 0.00 0.00 175.10 174.53 2jn3 s THR 59 N 0.27 3.33 0.06 3.92 2.01 -1.26 -0.98 115.64 122.99 2jn3 s THR 59 Ca -0.10 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.34 2jn3 s THR 59 Cb -0.14 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 2jn3 s THR 59 CO 0.04 0.57 -0.11 0.20 -0.69 0.00 0.00 174.62 174.62 2jn3 s ASN 60 N -0.38 1.33 -0.05 3.53 0.02 0.39 -4.79 114.94 114.99 2jn3 s ASN 60 Ca 0.05 -0.61 -0.04 0.00 -1.02 0.00 0.00 52.86 51.24 2jn3 s ASN 60 Cb -0.12 -0.01 0.02 0.00 0.02 0.00 0.00 41.25 41.15 2jn3 s ASN 60 CO 0.02 -0.15 0.12 -0.44 0.02 0.00 0.00 177.10 176.67 2jn3 s SER 61 N -1.75 -0.11 0.13 -1.22 0.01 -1.26 -1.40 113.70 108.10 2jn3 s SER 61 Ca -0.04 0.23 -0.12 0.00 1.31 0.00 0.00 55.95 57.33 2jn3 s SER 61 Cb -0.09 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.36 2jn3 s SER 61 CO 0.01 -0.07 0.31 0.72 0.41 0.00 0.00 173.24 174.63 2jn3 s PHE 62 N 0.33 0.09 -0.00 2.43 -0.12 -0.65 -4.63 117.98 115.43 2jn3 s PHE 62 Ca -0.02 -0.46 0.04 0.00 -0.05 0.00 0.00 56.93 56.44 2jn3 s PHE 62 Cb -0.04 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 2jn3 s PHE 62 CO -0.01 -0.68 -0.10 0.99 -0.05 0.00 0.00 175.22 175.37 2jn3 s THR 63 N -3.88 3.43 0.01 -4.49 2.01 -1.26 -0.98 115.64 110.48 2jn3 s THR 63 Ca 0.08 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 2jn3 s THR 63 Cb 0.03 -2.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.02 2jn3 s THR 63 CO -0.07 0.42 1.47 -0.76 -0.69 0.00 0.00 174.62 174.99 2jn3 s LEU 64 N -1.29 4.33 0.00 4.42 1.43 0.45 -2.31 118.68 125.71 2jn3 s LEU 64 Ca 0.16 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 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 0.06 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.48 2jn3 n GLY 65 N 3.75 0.65 3.28 -3.19 0.00 -1.05 -4.92 105.19 103.71 2jn3 n GLY 65 Ca 0.14 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.08 0.45 0.20 1.61 1.02 -0.98 -5.10 119.74 115.87 2jn3 s LYS 66 Ca 0.00 0.57 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 2jn3 s LYS 66 Cb 0.00 0.19 -0.08 0.00 -0.52 0.00 0.00 37.83 37.42 2jn3 s LYS 66 CO 0.00 -0.07 1.21 -2.00 -0.92 0.00 0.00 175.35 173.58 2jn3 s GLU 67 N 0.34 4.48 0.02 1.68 2.12 -1.26 -4.32 118.70 121.75 2jn3 s GLU 67 Ca -0.01 1.92 0.01 0.00 0.36 0.00 0.00 54.97 57.24 2jn3 s GLU 67 Cb -0.03 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 2jn3 s GLU 67 CO -0.01 -0.10 -0.04 0.00 -0.54 0.00 0.00 175.26 174.57 2jn3 s ALA 68 N -0.15 0.25 0.29 6.30 0.00 -1.10 -4.89 121.76 122.46 2jn3 s ALA 68 Ca 0.53 -0.47 -0.28 0.00 0.00 0.00 0.00 51.96 51.73 2jn3 s ALA 68 Cb -0.34 0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 2jn3 s ALA 68 CO 0.38 -0.06 1.04 0.16 0.00 0.00 0.00 175.76 177.28 2jn3 s ASP 69 N -1.03 7.27 0.01 0.00 -4.77 -1.26 -2.44 116.67 114.45 2jn3 s ASP 69 Ca -0.09 2.12 -0.00 0.00 -3.30 0.00 0.00 52.55 51.28 2jn3 s ASP 69 Cb -0.07 -2.61 -0.01 0.00 -1.09 0.00 0.00 42.92 39.14 2jn3 s ASP 69 CO -0.00 -0.13 -0.01 -0.63 0.70 0.00 0.00 175.17 175.10 2jn3 s ILE 70 N -1.29 0.06 0.06 2.11 1.01 -0.76 -4.54 121.20 117.86 2jn3 s ILE 70 Ca 0.46 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.64 2jn3 s ILE 70 Cb -0.28 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 2jn3 s ILE 70 CO 0.35 -0.29 -0.08 0.42 0.00 0.00 0.00 174.94 175.34 2jn3 s THR 71 N -0.86 3.52 0.24 2.92 -4.23 -1.26 -2.70 115.64 113.27 2jn3 s THR 71 Ca -0.09 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 2jn3 s THR 71 Cb -0.06 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 2jn3 s THR 71 CO -0.00 0.24 0.39 0.42 -0.54 0.00 0.00 174.62 175.12 2jn3 s THR 72 N -1.12 5.24 -0.13 3.99 -4.23 -0.01 -4.93 115.64 114.45 2jn3 s THR 72 Ca 0.20 -0.77 0.29 0.00 -1.18 0.00 0.00 61.69 60.22 2jn3 s THR 72 Cb -0.11 -3.83 0.32 0.00 1.34 0.00 0.00 72.50 70.22 2jn3 s THR 72 CO 0.11 -0.32 1.87 -0.03 -0.54 0.00 0.00 174.62 175.72 2jn3 h MET 73 N 1.34 0.00 0.00 3.99 4.05 -1.97 -2.23 114.93 120.11 2jn3 h MET 73 Ca -0.51 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 2jn3 h MET 73 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 2jn3 h MET 73 CO 0.63 0.00 -0.69 0.38 0.23 0.00 0.00 176.91 177.46 2jn3 h ASP 74 N 0.00 0.00 0.00 1.39 3.04 -2.04 -3.47 116.42 115.34 2jn3 h ASP 74 Ca 0.00 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 2jn3 h ASP 74 Cb 0.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 2jn3 h ASP 74 CO 0.00 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.84 2jn3 n GLY 75 N 1.22 1.85 3.74 7.15 0.00 -0.84 -5.11 105.19 113.20 2jn3 n GLY 75 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.31 3.84 -0.11 1.61 1.02 -1.26 -4.88 119.74 119.66 2jn3 s LYS 76 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 2jn3 s LYS 76 Cb 0.00 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 2jn3 s LYS 76 CO 0.00 0.45 -0.07 0.15 -0.92 0.00 0.00 175.35 174.96 2jn3 s LYS 77 N -0.10 3.16 0.05 1.68 1.02 -1.26 -0.83 119.74 123.45 2jn3 s LYS 77 Ca 0.09 -0.56 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 2jn3 s LYS 77 Cb -0.12 -2.70 0.09 0.00 -0.52 0.00 0.00 37.83 34.58 2jn3 s LYS 77 CO 0.00 0.45 0.83 -0.48 -0.92 0.00 0.00 175.35 175.24 2jn3 s LEU 78 N -0.23 -0.38 0.10 3.17 2.34 -1.10 -5.04 118.68 117.54 2jn3 s LEU 78 Ca 0.03 -0.06 0.03 0.00 0.06 0.00 0.00 54.13 54.19 2jn3 s LEU 78 Cb -0.13 2.18 -0.04 0.00 -0.56 0.00 0.00 46.19 47.64 2jn3 s LEU 78 CO 0.03 -0.74 0.12 -0.54 -1.06 0.00 0.00 176.35 174.15 2jn3 s LYS 79 N -3.29 2.99 -0.20 1.48 1.02 -1.26 -1.83 119.74 118.65 2jn3 s LYS 79 Ca 0.05 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.15 2jn3 s LYS 79 Cb -0.01 -2.76 0.05 0.00 -0.52 0.00 0.00 37.83 34.59 2jn3 s LYS 79 CO -0.08 0.55 0.55 0.00 -0.92 0.00 0.00 175.35 175.44 2jn3 s THR 81 N 0.21 5.40 0.67 0.00 2.01 -1.26 -2.72 115.64 119.95 2jn3 s THR 81 Ca -0.01 -2.93 -0.17 0.00 0.31 0.00 0.00 61.69 58.89 2jn3 s THR 81 Cb -0.04 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2jn3 s THR 81 CO 0.01 -1.06 0.71 0.52 -0.69 0.00 0.00 174.62 174.11 2jn3 n VAL 82 N 3.39 2.49 -3.83 3.82 0.31 -1.26 -4.73 118.33 118.52 2jn3 n VAL 82 Ca 0.17 -0.43 -0.12 0.00 -0.01 0.00 0.00 64.34 63.95 2jn3 n VAL 82 Cb 0.43 -0.89 -0.10 0.00 -0.91 0.00 0.00 33.84 32.37 2jn3 n VAL 82 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2jn3 s HIS 83 N -1.78 -0.06 -0.46 3.52 2.46 -1.05 -2.54 115.29 115.38 2jn3 s HIS 83 Ca 0.70 0.09 -0.13 0.00 0.47 0.00 0.00 55.06 56.18 2jn3 s HIS 83 Cb -0.38 0.01 0.08 0.00 -0.13 0.00 0.00 32.58 32.16 2jn3 s HIS 83 CO 0.53 -0.28 0.35 -0.51 -2.47 0.00 0.00 174.74 172.36 2jn3 s LEU 84 N -1.12 5.48 -0.11 8.88 1.43 -1.26 -0.76 118.68 131.22 2jn3 s LEU 84 Ca -0.12 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.59 2jn3 s LEU 84 Cb -0.06 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2jn3 s LEU 84 CO 0.02 -0.61 -0.13 0.00 0.23 0.00 0.00 176.35 175.86 2jn3 s ALA 85 N 1.57 2.66 -1.68 4.21 0.00 -0.28 -4.62 121.76 123.62 2jn3 s ALA 85 Ca 0.04 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 2jn3 s ALA 85 Cb -0.24 -1.19 0.17 0.00 0.00 0.00 0.00 23.12 21.86 2jn3 s ALA 85 CO 0.05 0.32 0.73 -1.71 0.00 0.00 0.00 175.76 175.15 2jn3 n ASN 86 N 3.24 -3.10 -2.77 0.00 5.15 -1.26 0.38 115.26 116.90 2jn3 n ASN 86 Ca -0.18 -0.98 -0.16 0.00 -0.60 0.00 0.00 54.58 52.66 2jn3 n ASN 86 Cb 0.53 -2.56 0.06 0.00 -0.53 0.00 0.00 39.78 37.28 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 -1.30 -0.15 3.14 8.20 0.00 -1.26 -5.01 105.19 108.82 2jn3 n GLY 87 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.71 0.26 0.18 1.61 1.02 0.16 -4.71 119.74 112.54 2jn3 s LYS 88 Ca 0.32 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 56.90 2jn3 s LYS 88 Cb -0.14 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.22 2jn3 s LYS 88 CO 0.53 -0.29 1.35 -1.17 -0.92 0.00 0.00 175.35 174.86 2jn3 s LEU 89 N 2.53 4.40 -0.04 3.17 0.20 -1.20 -1.13 118.68 126.62 2jn3 s LEU 89 Ca 0.00 2.42 -0.02 0.00 0.69 0.00 0.00 54.13 57.22 2jn3 s LEU 89 Cb -0.12 -3.60 0.03 0.00 -0.43 0.00 0.00 46.19 42.06 2jn3 s LEU 89 CO -0.11 -0.59 0.05 -0.69 -0.29 0.00 0.00 176.35 174.72 2jn3 s VAL 90 N 0.38 -0.08 -0.52 1.68 1.01 0.06 -1.41 120.40 121.52 2jn3 s VAL 90 Ca 0.59 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 2jn3 s VAL 90 Cb -0.37 -0.16 0.14 0.00 0.00 0.00 0.00 36.38 35.98 2jn3 s VAL 90 CO 0.36 0.18 0.31 -0.89 0.00 0.00 0.00 175.10 175.06 2jn3 s THR 91 N 2.07 3.38 0.41 3.92 2.01 0.27 -2.52 115.64 125.17 2jn3 s THR 91 Ca 0.04 -2.61 0.01 0.00 0.31 0.00 0.00 61.69 59.44 2jn3 s THR 91 Cb -0.12 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 2jn3 s THR 91 CO -0.03 -0.78 0.61 -1.59 -0.69 0.00 0.00 174.62 172.14 2jn3 s LYS 92 N 0.44 3.20 0.00 4.92 -2.85 -1.26 -1.75 119.74 122.44 2jn3 s LYS 92 Ca 0.13 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 2jn3 s LYS 92 Cb -0.22 -2.62 0.00 0.00 -2.06 0.00 0.00 37.83 32.94 2jn3 s LYS 92 CO -0.04 -0.11 0.00 0.45 0.10 0.00 0.00 175.35 175.76 2jn3 n SER 93 N -1.94 0.00 -1.36 0.03 2.88 -0.67 -4.68 113.62 107.87 2jn3 n SER 93 Ca -0.01 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.56 2jn3 n SER 93 Cb 0.57 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.32 2jn3 n SER 93 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2jn3 n GLU 94 N 0.00 3.24 0.00 -1.46 0.28 -1.26 -4.46 120.64 116.98 2jn3 n GLU 94 Ca 0.00 -3.01 0.00 0.00 -0.16 0.00 0.00 57.16 53.99 2jn3 n GLU 94 Cb 0.00 -2.00 0.00 0.00 1.43 0.00 0.00 31.44 30.87 2jn3 n GLU 94 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2jn3 n LYS 95 N -0.36 0.00 0.00 3.44 2.85 -1.26 -5.13 118.16 117.69 2jn3 n LYS 95 Ca 0.29 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.55 2jn3 n LYS 95 Cb 1.09 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.47 2jn3 n LYS 95 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 2jn3 n PHE 96 N 0.00 0.00 -4.14 5.58 1.16 -1.26 -4.81 117.46 114.00 2jn3 n PHE 96 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.35 2jn3 n PHE 96 Cb 0.31 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.11 2jn3 n PHE 96 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2jn3 s SER 97 N 0.00 4.59 -0.13 5.98 0.15 -0.83 -1.67 113.70 121.78 2jn3 s SER 97 Ca 0.00 -0.82 -0.10 0.00 0.70 0.00 0.00 55.95 55.73 2jn3 s SER 97 Cb 0.00 -0.69 0.04 0.00 -1.71 0.00 0.00 66.02 63.67 2jn3 s SER 97 CO 0.00 -0.30 0.34 -2.28 1.20 0.00 0.00 173.24 172.20 2jn3 s HIS 98 N -2.45 -0.42 -0.18 3.44 5.04 -0.72 -3.17 115.29 116.84 2jn3 s HIS 98 Ca 0.37 0.98 -0.09 0.00 -1.54 0.00 0.00 55.06 54.78 2jn3 s HIS 98 Cb -0.02 0.15 0.06 0.00 0.04 0.00 0.00 32.58 32.81 2jn3 s HIS 98 CO 0.22 -0.22 0.43 -2.00 -2.34 0.00 0.00 174.74 170.82 2jn3 s GLU 99 N 0.59 0.40 0.14 2.88 2.12 0.32 -0.57 118.70 124.59 2jn3 s GLU 99 Ca -0.03 0.85 0.04 0.00 0.36 0.00 0.00 54.97 56.18 2jn3 s GLU 99 Cb -0.05 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 2jn3 s GLU 99 CO -0.04 -0.17 -0.08 -1.14 -0.54 0.00 0.00 175.26 173.29 2jn3 s GLN 100 N 1.59 1.04 -0.03 4.30 0.74 -0.50 0.44 119.66 127.23 2jn3 s GLN 100 Ca -0.08 -1.45 -0.25 0.00 0.05 0.00 0.00 55.36 53.63 2jn3 s GLN 100 Cb -0.09 -0.53 0.05 0.00 1.10 0.00 0.00 33.01 33.54 2jn3 s GLN 100 CO -0.13 0.04 0.53 -2.00 -0.55 0.00 0.00 175.29 173.18 2jn3 s GLU 101 N -3.78 0.91 -0.02 1.67 2.12 0.99 -3.23 118.70 117.36 2jn3 s GLU 101 Ca 0.17 0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.61 2jn3 s GLU 101 Cb 0.03 0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.82 2jn3 s GLU 101 CO 0.00 -0.27 -0.13 0.54 -0.54 0.00 0.00 175.26 174.86 2jn3 s VAL 102 N -1.28 3.15 -0.37 3.70 0.11 -1.26 -0.13 120.40 124.32 2jn3 s VAL 102 Ca -0.12 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2jn3 s VAL 102 Cb -0.02 -2.29 0.12 0.00 -1.53 0.00 0.00 36.38 32.66 2jn3 s VAL 102 CO 0.07 0.49 0.19 -0.54 -3.33 0.00 0.00 175.10 171.98 2jn3 s LYS 103 N -1.06 0.86 5.54 1.54 1.02 -0.18 -4.78 119.74 122.68 2jn3 s LYS 103 Ca 0.14 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2jn3 s LYS 103 Cb -0.11 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2jn3 s LYS 103 CO 0.03 -1.12 0.00 0.41 -0.92 0.00 0.00 175.35 173.76 2jn3 n GLY 104 N 4.15 1.73 0.38 -3.33 0.00 -1.26 -3.03 105.19 103.83 2jn3 n GLY 104 Ca 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 9.28 2.45 -4.54 1.61 3.02 -1.26 -4.70 115.26 121.11 2jn3 n ASN 105 Ca 0.00 -1.91 -0.27 0.00 -0.03 0.00 0.00 54.58 52.38 2jn3 n ASN 105 Cb 0.00 -0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 38.95 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jn3 s GLU 106 N -0.95 1.96 0.01 3.52 2.02 -1.17 -2.09 118.70 122.00 2jn3 s GLU 106 Ca 0.14 -1.33 0.06 0.00 0.02 0.00 0.00 54.97 53.85 2jn3 s GLU 106 Cb 0.07 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 2jn3 s GLU 106 CO 0.10 0.42 -0.19 -1.64 0.02 0.00 0.00 175.26 173.97 2jn3 s MET 107 N -2.86 1.45 -0.11 1.61 -1.94 0.35 -1.01 119.30 116.80 2jn3 s MET 107 Ca 0.25 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 2jn3 s MET 107 Cb -0.08 -1.45 0.02 0.00 2.01 0.00 0.00 34.83 35.32 2jn3 s MET 107 CO 0.14 0.39 -0.09 0.08 -0.01 0.00 0.00 175.02 175.53 2jn3 s VAL 108 N -0.58 1.12 -0.24 -6.03 1.01 0.81 0.50 120.40 117.00 2jn3 s VAL 108 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 2jn3 s VAL 108 Cb -0.08 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2jn3 s VAL 108 CO 0.00 0.38 0.07 -1.61 0.00 0.00 0.00 175.10 173.94 2jn3 s GLU 109 N 1.45 3.72 -0.26 2.72 2.02 0.95 -0.01 118.70 129.30 2jn3 s GLU 109 Ca 0.01 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 2jn3 s GLU 109 Cb -0.13 -3.32 0.01 0.00 0.10 0.00 0.00 34.13 30.79 2jn3 s GLU 109 CO -0.06 -0.11 -0.02 0.99 0.02 0.00 0.00 175.26 176.08 2jn3 s THR 110 N 1.41 3.28 -0.06 3.63 2.01 1.54 -0.97 115.64 126.48 2jn3 s THR 110 Ca 0.05 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2jn3 s THR 110 Cb -0.15 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.73 2jn3 s THR 110 CO 0.04 0.21 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.39 2jn3 s ILE 111 N 1.40 1.38 -0.10 1.82 1.01 -0.75 0.12 121.20 126.08 2jn3 s ILE 111 Ca 0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2jn3 s ILE 111 Cb -0.16 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2jn3 s ILE 111 CO -0.02 0.40 -0.04 -0.89 0.00 0.00 0.00 174.94 174.39 2jn3 s THR 112 N 0.37 3.95 -0.28 2.92 2.01 -1.19 -0.16 115.64 123.26 2jn3 s THR 112 Ca -0.11 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 2jn3 s THR 112 Cb -0.14 -2.66 0.10 0.00 0.01 0.00 0.00 72.50 69.80 2jn3 s THR 112 CO 0.04 0.57 0.66 0.12 -0.69 0.00 0.00 174.62 175.32 2jn3 s PHE 113 N -0.51 -1.14 -1.01 4.92 2.19 0.16 -1.96 117.98 120.62 2jn3 s PHE 113 Ca 0.08 2.17 -0.02 0.00 0.33 0.00 0.00 56.93 59.49 2jn3 s PHE 113 Cb -0.12 0.68 0.00 0.00 -1.31 0.00 0.00 43.02 42.27 2jn3 s PHE 113 CO 0.02 -0.57 0.20 0.41 1.83 0.00 0.00 175.22 177.11 2jn3 n GLY 114 N 4.71 -0.10 2.36 13.12 0.00 -1.26 -1.73 105.19 122.29 2jn3 n GLY 114 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.12 0.35 3.51 -0.02 0.00 -1.26 -4.99 105.19 101.65 2jn3 n GLY 115 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.72 3.21 -0.09 1.61 1.01 -0.71 -5.12 120.40 118.60 2jn3 s VAL 116 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2jn3 s VAL 116 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2jn3 s VAL 116 CO 0.00 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 174.55 2jn3 s THR 117 N -0.83 2.76 -0.06 3.92 2.01 -1.26 0.40 115.64 122.58 2jn3 s THR 117 Ca 0.13 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2jn3 s THR 117 Cb -0.11 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 2jn3 s THR 117 CO 0.03 0.56 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.18 2jn3 s LEU 118 N -0.10 2.91 -0.36 4.42 2.96 0.78 -4.81 118.68 124.48 2jn3 s LEU 118 Ca -0.03 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2jn3 s LEU 118 Cb -0.14 -1.61 0.11 0.00 0.50 0.00 0.00 46.19 45.05 2jn3 s LEU 118 CO 0.04 0.35 0.09 -0.63 -1.32 0.00 0.00 176.35 174.88 2jn3 s ILE 119 N -0.77 2.04 -0.20 6.68 1.01 -1.25 -1.81 121.20 126.89 2jn3 s ILE 119 Ca 0.12 -2.31 -0.17 0.00 0.00 0.00 0.00 60.65 58.29 2jn3 s ILE 119 Cb -0.11 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2jn3 s ILE 119 CO 0.01 -0.65 0.43 -0.60 0.00 0.00 0.00 174.94 174.13 2jn3 s ARG 120 N 0.86 4.18 -0.24 2.79 3.52 -0.14 -3.47 118.95 126.45 2jn3 s ARG 120 Ca 0.12 0.26 -0.09 0.00 -0.13 0.00 0.00 55.73 55.89 2jn3 s ARG 120 Cb -0.20 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2jn3 s ARG 120 CO -0.10 -0.07 0.11 1.03 -0.81 0.00 0.00 175.30 175.47 2jn3 s ARG 121 N 1.40 3.86 0.13 5.12 0.52 -0.19 -0.04 118.95 129.76 2jn3 s ARG 121 Ca 0.20 -0.38 0.11 0.00 -0.52 0.00 0.00 55.73 55.15 2jn3 s ARG 121 Cb -0.15 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 2jn3 s ARG 121 CO 0.09 -0.05 -0.26 -1.12 0.02 0.00 0.00 175.30 173.97 2jn3 s SER 122 N 1.31 3.26 0.14 0.23 0.01 0.18 -2.00 113.70 116.84 2jn3 s SER 122 Ca 0.06 -0.76 0.09 0.00 1.31 0.00 0.00 55.95 56.65 2jn3 s SER 122 Cb -0.15 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 2jn3 s SER 122 CO 0.05 0.16 -0.13 -0.75 0.41 0.00 0.00 173.24 172.98 2jn3 s LYS 123 N -2.11 1.95 0.13 12.44 2.20 -0.79 0.13 119.74 133.69 2jn3 s LYS 123 Ca 0.14 -1.18 -0.30 0.00 -0.36 0.00 0.00 55.97 54.27 2jn3 s LYS 123 Cb -0.10 -2.17 -0.07 0.00 -1.51 0.00 0.00 37.83 33.99 2jn3 s LYS 123 CO 0.06 0.47 1.14 0.50 -0.36 0.00 0.00 175.35 177.16 2jn3 s ARG 124 N -2.41 4.52 0.00 4.03 3.52 -0.89 -1.10 118.95 126.62 2jn3 s ARG 124 Ca 0.21 1.74 0.31 0.00 -0.13 0.00 0.00 55.73 57.87 2jn3 s ARG 124 Cb -0.10 -3.31 1.75 0.00 -1.56 0.00 0.00 34.95 31.73 2jn3 s ARG 124 CO 0.13 -0.07 2.14 0.28 -0.81 0.00 0.00 175.30 176.96