#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn3 n PHE 2 N 0.00 0.00 -1.53 0.00 3.72 -1.26 -4.81 117.46 113.57 2jn3 n PHE 2 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 2jn3 n PHE 2 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 2jn3 n PHE 2 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jn3 n SER 3 N 1.76 1.12 0.00 4.37 3.41 -1.26 -4.57 113.62 118.45 2jn3 n SER 3 Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2jn3 n SER 3 Cb 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 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 6.24 -0.74 3.35 5.00 0.00 0.37 -4.97 105.19 114.44 2jn3 n GLY 4 Ca 0.51 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.00 3.03 -0.05 2.61 -4.23 -1.26 -1.12 115.64 111.61 2jn3 s THR 5 Ca 0.00 -0.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 2jn3 s THR 5 Cb 0.00 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 2jn3 s THR 5 CO 0.00 0.51 -0.20 0.26 -0.54 0.00 0.00 174.62 174.65 2jn3 s TRP 6 N 0.55 2.55 -0.13 3.99 0.52 -0.45 -0.38 118.94 125.59 2jn3 s TRP 6 Ca -0.08 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 55.63 2jn3 s TRP 6 Cb -0.16 -1.61 0.02 0.00 -1.15 0.00 0.00 33.47 30.57 2jn3 s TRP 6 CO 0.04 -0.01 -0.17 -1.14 0.02 0.00 0.00 176.95 175.68 2jn3 s GLN 7 N -0.45 2.49 0.20 4.98 0.74 -0.67 -1.21 119.66 125.74 2jn3 s GLN 7 Ca 0.05 -0.65 -0.31 0.00 0.05 0.00 0.00 55.36 54.51 2jn3 s GLN 7 Cb -0.12 -2.14 -0.09 0.00 1.10 0.00 0.00 33.01 31.76 2jn3 s GLN 7 CO 0.01 -0.12 1.43 0.08 -0.55 0.00 0.00 175.29 176.15 2jn3 s VAL 8 N 1.13 2.86 0.00 1.34 1.01 -1.25 -2.22 120.40 123.26 2jn3 s VAL 8 Ca -0.02 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2jn3 s VAL 8 Cb -0.14 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2jn3 s VAL 8 CO -0.05 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.13 2jn3 n TYR 9 N 3.00 0.00 -4.50 5.22 0.18 -0.88 -4.83 117.16 115.36 2jn3 n TYR 9 Ca 0.09 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.66 2jn3 n TYR 9 Cb 0.41 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.21 2jn3 n TYR 9 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jn3 s ALA 10 N -1.15 0.99 -0.15 -3.48 0.00 -1.21 -5.04 121.76 111.72 2jn3 s ALA 10 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 2jn3 s ALA 10 Cb 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.84 2jn3 s ALA 10 CO 0.00 0.19 0.44 1.14 0.00 0.00 0.00 175.76 177.53 2jn3 s GLN 11 N 0.02 0.54 0.13 0.00 0.00 -1.26 -0.84 119.66 118.24 2jn3 s GLN 11 Ca -0.01 0.54 0.09 0.00 -0.00 0.00 0.00 55.36 55.98 2jn3 s GLN 11 Cb -0.08 0.26 -0.04 0.00 0.00 0.00 0.00 33.01 33.15 2jn3 s GLN 11 CO 0.00 -0.08 -0.15 -2.00 0.00 0.00 0.00 175.29 173.07 2jn3 s GLU 12 N 0.09 1.91 -1.06 9.60 2.12 -1.22 -4.57 118.70 125.57 2jn3 s GLU 12 Ca -0.01 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.13 2jn3 s GLU 12 Cb -0.03 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.21 2jn3 s GLU 12 CO 0.01 0.47 0.00 0.09 -0.54 0.00 0.00 175.26 175.29 2jn3 n ASN 13 N 0.57 -3.30 -0.14 -1.70 4.13 -1.26 -4.13 115.26 109.42 2jn3 n ASN 13 Ca -0.14 0.25 -0.04 0.00 1.68 0.00 0.00 54.58 56.33 2jn3 n ASN 13 Cb 0.53 -2.96 0.05 0.00 -1.54 0.00 0.00 39.78 35.86 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 0.24 0.13 3.10 3.20 -1.95 -1.22 116.97 120.47 2jn3 h TYR 14 Ca -0.25 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2jn3 h TYR 14 Cb 0.98 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2jn3 h TYR 14 CO 0.53 0.07 -0.06 1.49 -1.64 0.00 0.00 178.16 178.55 2jn3 h GLU 15 N 0.30 -0.17 -0.07 1.82 4.81 -1.95 -2.22 114.58 117.10 2jn3 h GLU 15 Ca 0.22 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2jn3 h GLU 15 Cb 0.24 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2jn3 h GLU 15 CO -0.25 0.14 -0.46 0.93 -0.73 0.00 0.00 179.01 178.65 2jn3 h GLU 16 N -0.48 -0.50 -0.75 1.92 5.08 -1.87 0.30 114.58 118.28 2jn3 h GLU 16 Ca -0.02 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 2jn3 h GLU 16 Cb 0.38 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 2jn3 h GLU 16 CO 0.03 -0.33 0.25 0.35 -1.00 0.00 0.00 179.01 178.30 2jn3 h PHE 17 N -0.52 0.41 -0.31 4.33 3.57 -1.28 -0.78 116.94 122.37 2jn3 h PHE 17 Ca 0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2jn3 h PHE 17 Cb 0.58 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2jn3 h PHE 17 CO -0.54 -0.01 0.18 -0.07 -2.23 0.00 0.00 178.31 175.64 2jn3 h LEU 18 N 0.36 0.37 -1.35 0.59 3.38 -0.55 -2.24 115.31 115.87 2jn3 h LEU 18 Ca 0.42 -0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.54 2jn3 h LEU 18 Cb 0.68 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 2jn3 h LEU 18 CO -0.46 0.33 0.62 0.11 0.09 0.00 0.00 178.44 179.14 2jn3 h LYS 19 N 0.39 0.48 -0.11 1.13 1.57 0.10 0.30 116.57 120.44 2jn3 h LYS 19 Ca 0.11 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2jn3 h LYS 19 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2jn3 h LYS 19 CO -0.02 0.32 -0.38 0.00 -0.57 0.00 0.00 179.45 178.80 2jn3 h ALA 20 N 1.62 1.17 0.00 3.86 0.00 -1.01 -2.50 119.26 122.40 2jn3 h ALA 20 Ca 0.53 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jn3 h ALA 20 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jn3 h ALA 20 CO -0.26 0.56 -0.01 1.25 0.00 0.00 0.00 179.25 180.80 2jn3 h LEU 21 N 0.19 0.00 -0.61 0.00 5.85 -0.21 -3.46 115.31 117.06 2jn3 h LEU 21 Ca 0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2jn3 h LEU 21 Cb 0.76 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.81 2jn3 h LEU 21 CO 0.06 0.01 -0.14 0.00 -0.34 0.00 0.00 178.44 178.02 2jn3 n ALA 22 N -2.13 -0.25 -1.83 1.25 0.00 -0.94 -5.03 120.51 111.58 2jn3 n ALA 22 Ca -0.03 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 2jn3 n ALA 22 Cb 0.10 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.15 2.79 0.21 0.00 1.43 -1.26 -5.01 118.68 114.69 2jn3 s LEU 23 Ca 0.10 1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.01 2jn3 s LEU 23 Cb -0.04 -3.83 -0.08 0.00 0.03 0.00 0.00 46.19 42.26 2jn3 s LEU 23 CO 0.13 -1.52 1.17 -2.16 0.23 0.00 0.00 176.35 174.20 2jn3 s PRO 24 N -5.36 4.52 0.51 1.29 0.04 -1.26 -4.85 135.00 129.90 2jn3 s PRO 24 Ca 0.59 1.86 0.24 0.00 0.04 0.00 0.00 61.00 63.74 2jn3 s PRO 24 Cb -0.12 -3.23 1.35 0.00 0.04 0.00 0.00 34.50 32.55 2jn3 s PRO 24 CO 0.52 -0.02 1.97 0.93 0.04 0.00 0.00 177.00 180.44 2jn3 h GLU 25 N 4.85 0.07 -0.61 4.56 5.08 -1.98 0.56 114.58 127.11 2jn3 h GLU 25 Ca -0.45 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 2jn3 h GLU 25 Cb 1.21 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2jn3 h GLU 25 CO 0.72 0.05 0.15 0.22 -1.00 0.00 0.00 179.01 179.15 2jn3 h ASP 26 N 0.07 0.92 0.11 1.42 3.58 -1.99 -1.77 116.42 118.76 2jn3 h ASP 26 Ca 0.30 -0.23 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 2jn3 h ASP 26 Cb 1.08 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 41.91 2jn3 h ASP 26 CO -0.02 0.91 -0.63 0.25 -2.88 0.00 0.00 179.24 176.87 2jn3 h LEU 27 N 0.89 0.36 -0.04 2.28 5.85 -1.44 -3.07 115.31 120.13 2jn3 h LEU 27 Ca 0.19 -0.96 0.04 0.00 0.84 0.00 0.00 57.88 57.98 2jn3 h LEU 27 Cb 0.35 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2jn3 h LEU 27 CO 0.00 1.30 -0.26 0.40 -0.34 0.00 0.00 178.44 179.54 2jn3 h ILE 28 N -0.52 0.40 -0.06 4.05 2.04 -0.98 0.90 117.51 123.33 2jn3 h ILE 28 Ca -0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.77 2jn3 h ILE 28 Cb 1.49 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2jn3 h ILE 28 CO 0.11 0.00 0.05 0.11 0.00 0.00 0.00 178.15 178.42 2jn3 h LYS 29 N -0.38 0.00 0.00 2.37 1.79 -1.46 0.26 116.57 119.15 2jn3 h LYS 29 Ca 0.08 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jn3 h LYS 29 Cb 0.49 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2jn3 h LYS 29 CO -0.26 0.00 -0.65 0.52 -1.08 0.00 0.00 179.45 177.98 2jn3 h MET 30 N 0.00 0.00 -0.29 3.15 2.86 -0.94 -3.29 114.93 116.42 2jn3 h MET 30 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2jn3 h MET 30 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2jn3 h MET 30 CO -0.00 0.04 0.00 0.00 1.06 0.00 0.00 176.91 178.01 2jn3 n ALA 31 N -2.17 2.40 1.49 6.32 0.00 0.30 -4.32 120.51 124.52 2jn3 n ALA 31 Ca 0.01 -0.93 0.12 0.00 0.00 0.00 0.00 53.44 52.64 2jn3 n ALA 31 Cb 0.57 -0.71 0.71 0.00 0.00 0.00 0.00 19.45 20.02 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 1.19 0.73 -2.72 0.00 1.85 0.76 -3.56 116.66 114.91 2jn3 n ARG 32 Ca 0.16 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.98 2jn3 n ARG 32 Cb 0.52 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.53 2jn3 n ARG 32 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2jn3 n ASP 33 N -1.02 -0.37 -4.07 2.89 8.00 -1.26 -5.02 116.55 115.70 2jn3 n ASP 33 Ca 0.18 -2.23 -0.32 0.00 0.71 0.00 0.00 54.79 53.13 2jn3 n ASP 33 Cb 0.09 0.28 -0.16 0.00 -0.02 0.00 0.00 41.12 41.31 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jn3 s ILE 34 N -1.31 1.96 -0.94 0.53 1.01 -1.23 -5.06 121.20 116.16 2jn3 s ILE 34 Ca 0.18 -1.16 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 2jn3 s ILE 34 Cb 0.40 -1.93 0.16 0.00 0.01 0.00 0.00 42.46 41.10 2jn3 s ILE 34 CO -0.08 0.26 1.07 -0.54 0.00 0.00 0.00 174.94 175.65 2jn3 s LYS 35 N 1.27 3.66 0.26 2.79 3.01 -1.26 -5.01 119.74 124.46 2jn3 s LYS 35 Ca -0.01 -2.04 -0.30 0.00 -1.01 0.00 0.00 55.97 52.61 2jn3 s LYS 35 Cb -0.16 -4.81 -0.09 0.00 -1.01 0.00 0.00 37.83 31.76 2jn3 s LYS 35 CO -0.09 -1.65 1.15 -1.25 0.51 0.00 0.00 175.35 174.02 2jn3 s PRO 36 N 1.88 4.57 0.39 -1.68 0.04 -1.26 -4.81 135.00 134.12 2jn3 s PRO 36 Ca 0.30 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 63.15 2jn3 s PRO 36 Cb -0.06 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2jn3 s PRO 36 CO -0.09 0.09 0.68 0.42 0.04 0.00 0.00 177.00 178.14 2jn3 s ILE 37 N -0.85 4.95 -0.07 0.56 1.01 -1.14 -3.95 121.20 121.70 2jn3 s ILE 37 Ca 0.47 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.25 2jn3 s ILE 37 Cb -0.33 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.37 2jn3 s ILE 37 CO 0.41 -0.58 0.02 -0.69 0.00 0.00 0.00 174.94 174.10 2jn3 s VAL 38 N -2.40 0.24 -0.16 2.92 1.01 -0.35 -2.50 120.40 119.15 2jn3 s VAL 38 Ca 0.46 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 2jn3 s VAL 38 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2jn3 s VAL 38 CO 0.36 0.19 0.12 -0.70 0.00 0.00 0.00 175.10 175.08 2jn3 s GLU 39 N 2.03 3.81 -0.10 2.72 2.12 -1.00 -1.34 118.70 126.94 2jn3 s GLU 39 Ca 0.05 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.21 2jn3 s GLU 39 Cb -0.13 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.99 2jn3 s GLU 39 CO -0.05 0.51 -0.21 0.42 -0.54 0.00 0.00 175.26 175.39 2jn3 s ILE 40 N -0.26 1.86 -0.51 -3.70 1.01 -0.28 -1.90 121.20 117.42 2jn3 s ILE 40 Ca 0.11 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2jn3 s ILE 40 Cb -0.12 -1.62 0.21 0.00 0.01 0.00 0.00 42.46 40.94 2jn3 s ILE 40 CO 0.01 0.51 0.51 1.67 0.00 0.00 0.00 174.94 177.64 2jn3 n GLN 41 N 3.64 1.16 -1.48 2.79 7.27 -0.80 -0.48 117.38 129.48 2jn3 n GLN 41 Ca -0.20 -3.76 -0.30 0.00 0.07 0.00 0.00 57.00 52.81 2jn3 n GLN 41 Cb 0.53 -1.78 0.10 0.00 2.41 0.00 0.00 30.24 31.50 2jn3 n GLN 41 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2jn3 s GLN 42 N -1.15 1.98 -0.34 3.69 0.74 -1.26 -3.84 119.66 119.47 2jn3 s GLN 42 Ca 0.33 0.70 0.14 0.00 0.05 0.00 0.00 55.36 56.58 2jn3 s GLN 42 Cb 0.09 -1.90 0.42 0.00 1.10 0.00 0.00 33.01 32.71 2jn3 s GLN 42 CO -0.13 -1.71 1.44 1.63 -0.55 0.00 0.00 175.29 175.97 2jn3 n LYS 43 N -3.50 1.37 0.00 1.67 5.02 -1.14 -4.91 118.16 116.66 2jn3 n LYS 43 Ca 0.07 -1.67 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 2jn3 n LYS 43 Cb 0.56 0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 -1.21 1.62 0.33 0.72 0.00 -1.26 -4.61 105.19 100.79 2jn3 n GLY 44 Ca -0.11 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 1.68 -4.78 1.61 8.00 -1.26 -4.99 116.55 116.80 2jn3 n ASP 45 Ca 0.00 -1.34 -0.32 0.00 0.71 0.00 0.00 54.79 53.85 2jn3 n ASP 45 Cb 0.00 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.06 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 -0.74 5.62 -0.04 -2.24 2.15 -1.26 -0.31 116.67 119.84 2jn3 s ASP 46 Ca 0.10 0.07 0.03 0.00 0.43 0.00 0.00 52.55 53.18 2jn3 s ASP 46 Cb 0.07 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 41.13 2jn3 s ASP 46 CO 0.11 0.22 -0.13 -0.36 -0.17 0.00 0.00 175.17 174.83 2jn3 s PHE 47 N -1.30 1.42 -0.27 -5.34 0.08 -0.24 -2.90 117.98 109.43 2jn3 s PHE 47 Ca 0.27 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 56.91 2jn3 s PHE 47 Cb -0.12 -0.99 0.07 0.00 -0.57 0.00 0.00 43.02 41.41 2jn3 s PHE 47 CO 0.19 -0.18 -0.05 0.08 -0.10 0.00 0.00 175.22 175.16 2jn3 s VAL 48 N 0.26 1.92 -0.12 -0.44 1.01 -1.25 -1.58 120.40 120.21 2jn3 s VAL 48 Ca -0.07 -1.62 -0.01 0.00 0.00 0.00 0.00 61.98 60.28 2jn3 s VAL 48 Cb -0.12 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2jn3 s VAL 48 CO 0.02 -0.19 -0.06 -0.69 0.00 0.00 0.00 175.10 174.19 2jn3 s VAL 49 N 1.18 3.72 -0.23 2.92 1.01 -0.69 -1.90 120.40 126.42 2jn3 s VAL 49 Ca -0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2jn3 s VAL 49 Cb -0.19 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.68 2jn3 s VAL 49 CO -0.07 0.54 0.04 -0.89 0.00 0.00 0.00 175.10 174.72 2jn3 s THR 50 N -0.12 0.75 -0.01 3.92 2.01 -0.80 -0.49 115.64 120.90 2jn3 s THR 50 Ca 0.02 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 2jn3 s THR 50 Cb -0.13 -1.30 -0.06 0.00 0.01 0.00 0.00 72.50 71.02 2jn3 s THR 50 CO 0.03 -0.31 0.46 -0.44 -0.69 0.00 0.00 174.62 173.67 2jn3 s SER 51 N 1.73 6.84 -0.06 3.53 0.01 -0.34 -2.38 113.70 123.03 2jn3 s SER 51 Ca 0.01 1.00 0.01 0.00 1.31 0.00 0.00 55.95 58.28 2jn3 s SER 51 Cb -0.17 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.79 2jn3 s SER 51 CO -0.12 0.23 -0.08 -1.59 0.41 0.00 0.00 173.24 172.09 2jn3 s LYS 52 N -0.65 1.26 0.42 12.44 -2.85 -1.04 -0.67 119.74 128.64 2jn3 s LYS 52 Ca 0.25 -0.24 0.07 0.00 -1.00 0.00 0.00 55.97 55.06 2jn3 s LYS 52 Cb -0.17 -1.18 -0.04 0.00 -2.06 0.00 0.00 37.83 34.38 2jn3 s LYS 52 CO 0.14 -0.08 0.25 0.95 0.10 0.00 0.00 175.35 176.71 2jn3 s THR 53 N 0.99 2.40 -0.38 3.79 -4.23 0.29 -2.89 115.64 115.61 2jn3 s THR 53 Ca -0.09 -1.57 0.27 0.00 -1.18 0.00 0.00 61.69 59.11 2jn3 s THR 53 Cb -0.15 -2.98 0.30 0.00 1.34 0.00 0.00 72.50 71.02 2jn3 s THR 53 CO 0.00 0.00 1.78 1.55 -0.54 0.00 0.00 174.62 177.42 2jn3 h PRO 54 N 1.28 0.00 0.00 3.99 0.13 -2.00 -3.10 132.00 132.30 2jn3 h PRO 54 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2jn3 h PRO 54 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jn3 h PRO 54 CO 0.66 0.00 -1.62 0.54 -0.23 0.00 0.00 178.00 177.35 2jn3 n ARG 55 N -2.54 0.57 -3.54 0.86 1.74 -1.26 -5.05 116.66 107.45 2jn3 n ARG 55 Ca 0.03 -0.13 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 2jn3 n ARG 55 Cb 0.32 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.99 0.84 -0.04 5.56 -2.07 -1.17 -5.17 119.66 114.62 2jn3 s GLN 56 Ca -0.05 -0.34 0.03 0.00 -1.82 0.00 0.00 55.36 53.18 2jn3 s GLN 56 Cb 0.10 0.37 0.01 0.00 -1.09 0.00 0.00 33.01 32.39 2jn3 s GLN 56 CO 0.62 -0.37 -0.11 0.95 -1.32 0.00 0.00 175.29 175.05 2jn3 s THR 57 N -3.11 1.01 -0.05 3.63 -4.23 -1.26 0.10 115.64 111.72 2jn3 s THR 57 Ca 0.06 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2jn3 s THR 57 Cb -0.01 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.95 2jn3 s THR 57 CO -0.08 0.31 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.54 2jn3 s VAL 58 N 0.33 0.86 -0.10 2.29 1.01 0.16 -4.96 120.40 119.98 2jn3 s VAL 58 Ca -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2jn3 s VAL 58 Cb -0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 2jn3 s VAL 58 CO 0.02 0.29 -0.10 0.28 0.00 0.00 0.00 175.10 175.59 2jn3 s THR 59 N 0.74 3.41 0.09 3.92 -1.32 -1.26 -1.20 115.64 120.02 2jn3 s THR 59 Ca -0.13 -0.56 0.06 0.00 -1.21 0.00 0.00 61.69 59.85 2jn3 s THR 59 Cb -0.15 -2.42 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 2jn3 s THR 59 CO 0.02 0.55 -0.15 0.20 -2.21 0.00 0.00 174.62 173.04 2jn3 s ASN 60 N -0.19 1.88 -0.12 8.08 0.01 0.36 -4.96 114.94 119.99 2jn3 s ASN 60 Ca 0.01 -0.70 -0.05 0.00 -0.71 0.00 0.00 52.86 51.41 2jn3 s ASN 60 Cb -0.13 -0.06 0.05 0.00 0.41 0.00 0.00 41.25 41.52 2jn3 s ASN 60 CO 0.03 -0.09 0.26 -0.55 -1.51 0.00 0.00 177.10 175.24 2jn3 s SER 61 N -2.05 -0.13 0.25 -1.22 0.15 -1.26 -1.70 113.70 107.74 2jn3 s SER 61 Ca 0.03 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2jn3 s SER 61 Cb -0.08 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2jn3 s SER 61 CO 0.03 -0.19 0.22 0.72 1.20 0.00 0.00 173.24 175.22 2jn3 s PHE 62 N 1.58 1.25 0.11 3.44 -0.12 -0.61 -4.77 117.98 118.85 2jn3 s PHE 62 Ca -0.07 -1.40 0.10 0.00 -0.05 0.00 0.00 56.93 55.51 2jn3 s PHE 62 Cb -0.11 -0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 41.73 2jn3 s PHE 62 CO -0.09 -0.76 -0.24 0.99 -0.05 0.00 0.00 175.22 175.08 2jn3 s THR 63 N -3.90 2.44 -0.15 -4.49 2.01 -1.26 -1.07 115.64 109.22 2jn3 s THR 63 Ca 0.38 -1.59 -0.29 0.00 0.31 0.00 0.00 61.69 60.50 2jn3 s THR 63 Cb 0.05 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2jn3 s THR 63 CO 0.16 0.16 1.04 -0.76 -0.69 0.00 0.00 174.62 174.53 2jn3 s LEU 64 N -1.90 4.20 0.00 4.42 1.43 0.58 -3.15 118.68 124.25 2jn3 s LEU 64 Ca 0.15 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 2jn3 s LEU 64 Cb -0.10 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2jn3 s LEU 64 CO 0.06 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.71 2jn3 n GLY 65 N 3.21 0.84 3.05 -3.19 0.00 -1.19 -4.89 105.19 103.02 2jn3 n GLY 65 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.85 0.32 0.08 1.61 2.20 -1.19 -5.10 119.74 116.81 2jn3 s LYS 66 Ca 0.00 -0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 2jn3 s LYS 66 Cb 0.00 0.14 -0.08 0.00 -1.51 0.00 0.00 37.83 36.38 2jn3 s LYS 66 CO 0.00 -0.06 1.51 -2.00 -0.36 0.00 0.00 175.35 174.44 2jn3 s GLU 67 N -0.71 4.25 0.08 4.03 2.12 -1.26 -4.50 118.70 122.71 2jn3 s GLU 67 Ca -0.08 2.18 0.08 0.00 0.36 0.00 0.00 54.97 57.51 2jn3 s GLU 67 Cb -0.05 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 2jn3 s GLU 67 CO 0.01 -0.60 -0.20 0.00 -0.54 0.00 0.00 175.26 173.93 2jn3 s ALA 68 N 1.93 1.73 0.09 6.30 0.00 -1.18 -4.93 121.76 125.71 2jn3 s ALA 68 Ca 0.68 -1.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 2jn3 s ALA 68 Cb -0.38 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 2jn3 s ALA 68 CO 0.30 0.36 0.80 -0.51 0.00 0.00 0.00 175.76 176.71 2jn3 s ASP 69 N -1.63 7.31 0.05 0.00 1.01 -1.26 -2.60 116.67 119.54 2jn3 s ASP 69 Ca 0.06 1.56 0.06 0.00 0.71 0.00 0.00 52.55 54.94 2jn3 s ASP 69 Cb -0.10 -2.49 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2jn3 s ASP 69 CO 0.03 0.06 -0.17 -0.63 0.21 0.00 0.00 175.17 174.68 2jn3 s ILE 70 N -0.38 1.35 -0.07 0.77 -1.09 -0.26 -4.70 121.20 116.82 2jn3 s ILE 70 Ca 0.39 -1.12 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 2jn3 s ILE 70 Cb -0.22 -1.20 -0.01 0.00 -1.58 0.00 0.00 42.46 39.45 2jn3 s ILE 70 CO 0.25 0.06 -0.24 0.28 -1.23 0.00 0.00 174.94 174.05 2jn3 s THR 71 N -0.88 2.08 0.48 2.92 -1.32 -1.26 -2.12 115.64 115.54 2jn3 s THR 71 Ca 0.04 -1.04 -0.12 0.00 -1.21 0.00 0.00 61.69 59.35 2jn3 s THR 71 Cb -0.08 -1.77 -0.06 0.00 -1.51 0.00 0.00 72.50 69.08 2jn3 s THR 71 CO 0.02 0.57 0.88 -0.89 -2.21 0.00 0.00 174.62 172.98 2jn3 s THR 72 N 0.01 4.70 -0.18 5.08 2.01 0.19 -4.92 115.64 122.53 2jn3 s THR 72 Ca -0.09 0.83 0.29 0.00 0.31 0.00 0.00 61.69 63.03 2jn3 s THR 72 Cb -0.15 -3.76 0.31 0.00 0.01 0.00 0.00 72.50 68.91 2jn3 s THR 72 CO 0.06 -0.69 1.85 -0.03 -0.69 0.00 0.00 174.62 175.11 2jn3 h MET 73 N 0.84 0.00 0.00 4.92 4.05 -1.98 -2.16 114.93 120.60 2jn3 h MET 73 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2jn3 h MET 73 Cb 1.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2jn3 h MET 73 CO 0.63 0.00 -0.30 -3.47 0.23 0.00 0.00 176.91 174.00 2jn3 n ASP 74 N -2.62 0.48 0.00 1.39 2.03 -1.26 -4.90 116.55 111.67 2jn3 n ASP 74 Ca 0.01 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2jn3 n ASP 74 Cb 0.24 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2jn3 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jn3 n GLY 75 N 1.42 1.94 3.57 0.27 0.00 -0.81 -5.11 105.19 106.47 2jn3 n GLY 75 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.60 3.61 -0.08 1.61 1.02 -1.24 -4.90 119.74 119.17 2jn3 s LYS 76 Ca 0.00 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 55.55 2jn3 s LYS 76 Cb 0.00 -2.96 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 2jn3 s LYS 76 CO 0.00 0.34 -0.09 0.15 -0.92 0.00 0.00 175.35 174.83 2jn3 s LYS 77 N 0.11 2.82 -0.02 1.68 1.02 -1.26 0.54 119.74 124.63 2jn3 s LYS 77 Ca 0.01 -0.60 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 2jn3 s LYS 77 Cb -0.13 -2.56 0.11 0.00 -0.52 0.00 0.00 37.83 34.72 2jn3 s LYS 77 CO 0.02 0.58 0.91 -0.48 -0.92 0.00 0.00 175.35 175.45 2jn3 s LEU 78 N -0.58 -0.36 0.38 3.17 2.34 -0.90 -5.02 118.68 117.71 2jn3 s LEU 78 Ca 0.08 0.03 0.07 0.00 0.06 0.00 0.00 54.13 54.38 2jn3 s LEU 78 Cb -0.12 1.99 -0.01 0.00 -0.56 0.00 0.00 46.19 47.49 2jn3 s LEU 78 CO 0.02 -0.59 0.41 -0.54 -1.06 0.00 0.00 176.35 174.59 2jn3 s LYS 79 N -2.96 2.78 -0.30 1.48 1.02 -1.26 -1.10 119.74 119.40 2jn3 s LYS 79 Ca 0.05 -1.29 -0.23 0.00 0.02 0.00 0.00 55.97 54.52 2jn3 s LYS 79 Cb -0.01 -2.58 0.19 0.00 -0.52 0.00 0.00 37.83 34.91 2jn3 s LYS 79 CO -0.08 -0.07 1.38 0.00 -0.92 0.00 0.00 175.35 175.66 2jn3 s THR 81 N 0.30 4.85 0.28 0.00 2.01 -1.26 -3.13 115.64 118.68 2jn3 s THR 81 Ca 0.03 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 2jn3 s THR 81 Cb -0.04 -4.33 -0.09 0.00 0.01 0.00 0.00 72.50 68.04 2jn3 s THR 81 CO -0.14 -0.85 1.06 -0.69 -0.69 0.00 0.00 174.62 173.30 2jn3 s VAL 82 N 2.70 3.64 0.04 3.82 1.01 -1.26 -4.64 120.40 125.70 2jn3 s VAL 82 Ca 0.15 1.64 -0.06 0.00 0.00 0.00 0.00 61.98 63.71 2jn3 s VAL 82 Cb -0.19 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2jn3 s VAL 82 CO 0.12 0.38 0.11 -1.38 0.00 0.00 0.00 175.10 174.32 2jn3 s HIS 83 N -1.19 0.19 -0.16 5.22 -3.43 -1.17 -3.19 115.29 111.56 2jn3 s HIS 83 Ca 0.44 -0.50 -0.09 0.00 -0.80 0.00 0.00 55.06 54.12 2jn3 s HIS 83 Cb -0.30 -0.13 -0.05 0.00 -1.43 0.00 0.00 32.58 30.67 2jn3 s HIS 83 CO 0.38 -0.38 0.13 -1.17 -2.00 0.00 0.00 174.74 171.70 2jn3 s LEU 84 N -2.18 4.27 -0.10 5.38 2.96 -1.26 -1.11 118.68 126.64 2jn3 s LEU 84 Ca -0.04 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.18 2jn3 s LEU 84 Cb -0.01 -2.08 0.04 0.00 0.50 0.00 0.00 46.19 44.64 2jn3 s LEU 84 CO -0.05 0.28 0.02 0.00 -1.32 0.00 0.00 176.35 175.28 2jn3 s ALA 85 N -0.25 0.71 -1.65 5.97 0.00 -0.00 -4.80 121.76 121.74 2jn3 s ALA 85 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 2jn3 s ALA 85 Cb -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2jn3 s ALA 85 CO 0.01 -0.64 0.02 -1.71 0.00 0.00 0.00 175.76 173.45 2jn3 n ASN 86 N 5.15 -5.59 -1.17 0.00 2.85 -1.26 -2.16 115.26 113.08 2jn3 n ASN 86 Ca -0.07 -0.03 -0.05 0.00 -0.11 0.00 0.00 54.58 54.32 2jn3 n ASN 86 Cb 0.49 -4.62 0.02 0.00 1.24 0.00 0.00 39.78 36.91 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jn3 n GLY 87 N -1.04 0.62 3.32 8.20 0.00 -1.26 -5.05 105.19 109.98 2jn3 n GLY 87 Ca -0.23 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -5.17 0.40 0.18 1.61 1.02 -0.92 -4.75 119.74 112.12 2jn3 s LYS 88 Ca 0.11 0.97 -0.30 0.00 0.02 0.00 0.00 55.97 56.77 2jn3 s LYS 88 Cb -0.05 0.20 -0.08 0.00 -0.52 0.00 0.00 37.83 37.38 2jn3 s LYS 88 CO 0.15 -0.20 1.25 -1.17 -0.92 0.00 0.00 175.35 174.45 2jn3 s LEU 89 N 2.04 4.43 -0.05 3.17 0.20 -1.07 -0.82 118.68 126.58 2jn3 s LEU 89 Ca -0.06 2.29 -0.02 0.00 0.69 0.00 0.00 54.13 57.03 2jn3 s LEU 89 Cb -0.10 -3.61 0.03 0.00 -0.43 0.00 0.00 46.19 42.09 2jn3 s LEU 89 CO -0.14 -0.45 0.08 -0.69 -0.29 0.00 0.00 176.35 174.87 2jn3 s VAL 90 N 0.08 -0.14 -0.57 1.68 1.01 -0.27 -1.40 120.40 120.80 2jn3 s VAL 90 Ca 0.55 0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 2jn3 s VAL 90 Cb -0.34 -0.18 0.15 0.00 0.00 0.00 0.00 36.38 36.01 2jn3 s VAL 90 CO 0.37 0.17 0.38 -0.89 0.00 0.00 0.00 175.10 175.13 2jn3 s THR 91 N 2.17 3.53 0.51 3.92 2.01 0.66 -3.05 115.64 125.39 2jn3 s THR 91 Ca 0.04 -2.81 -0.06 0.00 0.31 0.00 0.00 61.69 59.18 2jn3 s THR 91 Cb -0.12 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2jn3 s THR 91 CO -0.04 -0.83 0.83 -1.59 -0.69 0.00 0.00 174.62 172.30 2jn3 s LYS 92 N 0.16 3.47 0.00 4.92 -2.85 -1.26 -1.55 119.74 122.63 2jn3 s LYS 92 Ca 0.15 0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.37 2jn3 s LYS 92 Cb -0.21 -2.32 0.00 0.00 -2.06 0.00 0.00 37.83 33.24 2jn3 s LYS 92 CO -0.03 -0.31 0.00 0.43 0.10 0.00 0.00 175.35 175.53 2jn3 n SER 93 N -2.37 0.00 -2.27 0.03 7.64 -0.65 -4.68 113.62 111.33 2jn3 n SER 93 Ca 0.02 -0.98 -0.31 0.00 1.01 0.00 0.00 58.87 58.61 2jn3 n SER 93 Cb 0.55 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.86 2jn3 n SER 93 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jn3 n GLU 94 N 0.00 2.50 0.00 1.43 0.28 -1.26 -4.25 120.64 119.34 2jn3 n GLU 94 Ca 0.00 -3.09 0.00 0.00 -0.16 0.00 0.00 57.16 53.91 2jn3 n GLU 94 Cb 0.00 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 30.66 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 -0.91 0.00 -3.63 3.44 2.85 -1.26 -5.15 118.16 113.50 2jn3 n LYS 95 Ca 0.60 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.81 2jn3 n LYS 95 Cb 0.96 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.28 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 -0.17 0.14 5.58 -0.12 -1.26 -4.75 117.98 117.40 2jn3 s PHE 96 Ca 0.00 0.33 0.09 0.00 -0.05 0.00 0.00 56.93 57.30 2jn3 s PHE 96 Cb 0.00 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 2jn3 s PHE 96 CO 0.00 -0.13 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.71 2jn3 s SER 97 N -0.74 2.69 0.01 1.98 0.01 -0.75 -1.64 113.70 115.26 2jn3 s SER 97 Ca 0.05 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.55 2jn3 s SER 97 Cb -0.02 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 2jn3 s SER 97 CO -0.07 0.03 -0.04 -2.28 0.41 0.00 0.00 173.24 171.29 2jn3 s HIS 98 N -1.57 0.36 -0.19 2.43 5.04 -0.59 -2.39 115.29 118.38 2jn3 s HIS 98 Ca 0.12 -0.19 -0.10 0.00 -1.54 0.00 0.00 55.06 53.35 2jn3 s HIS 98 Cb -0.08 -0.23 0.07 0.00 0.04 0.00 0.00 32.58 32.38 2jn3 s HIS 98 CO 0.06 -0.04 0.46 -1.21 -2.34 0.00 0.00 174.74 171.67 2jn3 s GLU 99 N -0.50 0.44 0.08 2.88 2.02 0.10 -0.24 118.70 123.48 2jn3 s GLU 99 Ca -0.03 0.91 0.04 0.00 0.02 0.00 0.00 54.97 55.91 2jn3 s GLU 99 Cb -0.04 0.06 -0.03 0.00 0.10 0.00 0.00 34.13 34.22 2jn3 s GLU 99 CO -0.00 -0.17 -0.11 -1.14 0.02 0.00 0.00 175.26 173.86 2jn3 s GLN 100 N 1.61 0.80 0.05 1.61 0.74 -0.49 0.36 119.66 124.34 2jn3 s GLN 100 Ca -0.09 -1.03 -0.14 0.00 0.05 0.00 0.00 55.36 54.15 2jn3 s GLN 100 Cb -0.08 -0.61 0.02 0.00 1.10 0.00 0.00 33.01 33.44 2jn3 s GLN 100 CO -0.14 0.11 0.32 -1.83 -0.55 0.00 0.00 175.29 173.21 2jn3 s GLU 101 N -2.25 0.85 -0.06 1.67 -1.05 0.81 -2.60 118.70 116.07 2jn3 s GLU 101 Ca 0.01 -0.51 0.06 0.00 -0.15 0.00 0.00 54.97 54.37 2jn3 s GLU 101 Cb -0.06 0.37 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 2jn3 s GLU 101 CO 0.01 -0.28 -0.25 0.54 0.95 0.00 0.00 175.26 176.24 2jn3 s VAL 102 N -2.67 2.10 -0.37 1.83 0.11 -1.26 0.33 120.40 120.48 2jn3 s VAL 102 Ca -0.04 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 57.97 2jn3 s VAL 102 Cb -0.00 -1.76 0.11 0.00 -1.53 0.00 0.00 36.38 33.20 2jn3 s VAL 102 CO -0.04 0.57 0.14 -0.54 -3.33 0.00 0.00 175.10 171.91 2jn3 s LYS 103 N -0.18 1.10 4.33 1.54 1.02 0.40 -4.99 119.74 122.96 2jn3 s LYS 103 Ca -0.03 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.36 2jn3 s LYS 103 Cb -0.14 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2jn3 s LYS 103 CO 0.03 -1.04 0.00 0.41 -0.92 0.00 0.00 175.35 173.83 2jn3 n GLY 104 N 4.22 1.88 0.01 -3.33 0.00 -1.26 -2.80 105.19 103.90 2jn3 n GLY 104 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 7.62 1.96 -4.47 1.61 3.02 -1.26 -5.03 115.26 118.71 2jn3 n ASN 105 Ca 0.00 -2.05 -0.25 0.00 -0.03 0.00 0.00 54.58 52.25 2jn3 n ASN 105 Cb 0.00 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.11 1.67 -0.01 3.52 2.02 -1.12 -1.92 118.70 121.76 2jn3 s GLU 106 Ca 0.02 -1.68 0.04 0.00 0.02 0.00 0.00 54.97 53.38 2jn3 s GLU 106 Cb 0.02 -1.81 -0.01 0.00 0.10 0.00 0.00 34.13 32.43 2jn3 s GLU 106 CO 0.00 0.35 -0.14 -1.64 0.02 0.00 0.00 175.26 173.85 2jn3 s MET 107 N -3.28 1.12 -0.13 1.61 -1.94 0.54 -0.45 119.30 116.76 2jn3 s MET 107 Ca 0.27 -0.52 0.01 0.00 -1.71 0.00 0.00 55.69 53.75 2jn3 s MET 107 Cb -0.06 -1.09 0.02 0.00 2.01 0.00 0.00 34.83 35.71 2jn3 s MET 107 CO 0.14 0.30 -0.17 0.08 -0.01 0.00 0.00 175.02 175.36 2jn3 s VAL 108 N -0.36 1.70 -0.22 -6.03 1.01 0.15 0.74 120.40 117.39 2jn3 s VAL 108 Ca 0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 2jn3 s VAL 108 Cb -0.06 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2jn3 s VAL 108 CO -0.00 0.48 -0.00 -1.61 0.00 0.00 0.00 175.10 173.97 2jn3 s GLU 109 N 1.13 3.51 -0.25 2.72 2.02 0.12 -0.13 118.70 127.82 2jn3 s GLU 109 Ca -0.02 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.37 2jn3 s GLU 109 Cb -0.14 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 30.98 2jn3 s GLU 109 CO -0.06 -0.15 -0.01 0.99 0.02 0.00 0.00 175.26 176.05 2jn3 s THR 110 N 1.41 3.38 -0.10 3.63 2.01 1.11 -0.86 115.64 126.22 2jn3 s THR 110 Ca 0.05 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2jn3 s THR 110 Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.72 2jn3 s THR 110 CO 0.00 0.25 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.37 2jn3 s ILE 111 N 1.44 1.71 -0.12 1.82 1.01 -0.81 0.02 121.20 126.27 2jn3 s ILE 111 Ca 0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 2jn3 s ILE 111 Cb -0.16 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2jn3 s ILE 111 CO -0.02 0.48 -0.02 -0.89 0.00 0.00 0.00 174.94 174.49 2jn3 s THR 112 N 0.64 4.10 -0.26 2.92 2.01 -1.00 -0.21 115.64 123.83 2jn3 s THR 112 Ca -0.13 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 2jn3 s THR 112 Cb -0.16 -2.75 0.09 0.00 0.01 0.00 0.00 72.50 69.68 2jn3 s THR 112 CO 0.04 0.55 0.63 0.12 -0.69 0.00 0.00 174.62 175.27 2jn3 s PHE 113 N -0.33 -1.05 -1.04 4.92 2.19 0.23 -1.81 117.98 121.10 2jn3 s PHE 113 Ca 0.06 2.03 -0.05 0.00 0.33 0.00 0.00 56.93 59.30 2jn3 s PHE 113 Cb -0.12 0.61 0.01 0.00 -1.31 0.00 0.00 43.02 42.20 2jn3 s PHE 113 CO 0.02 -0.53 0.63 0.41 1.83 0.00 0.00 175.22 177.58 2jn3 n GLY 114 N 4.61 -0.14 2.68 13.12 0.00 -1.26 -1.50 105.19 122.69 2jn3 n GLY 114 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.43 0.29 3.55 -0.02 0.00 -1.26 -4.98 105.19 101.35 2jn3 n GLY 115 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.68 3.60 -0.09 1.61 1.01 -0.56 -5.11 120.40 119.17 2jn3 s VAL 116 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2jn3 s VAL 116 Cb 0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2jn3 s VAL 116 CO 0.00 0.59 -0.20 -0.89 0.00 0.00 0.00 175.10 174.60 2jn3 s THR 117 N -0.69 2.43 0.08 3.92 2.01 -1.26 0.77 115.64 122.91 2jn3 s THR 117 Ca 0.10 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2jn3 s THR 117 Cb -0.11 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2jn3 s THR 117 CO 0.02 0.55 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.23 2jn3 s LEU 118 N 0.13 3.24 -0.34 4.42 2.96 0.70 -4.89 118.68 124.91 2jn3 s LEU 118 Ca -0.10 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2jn3 s LEU 118 Cb -0.16 -1.98 0.10 0.00 0.50 0.00 0.00 46.19 44.65 2jn3 s LEU 118 CO 0.06 0.19 0.10 -0.63 -1.32 0.00 0.00 176.35 174.75 2jn3 s ILE 119 N -1.22 1.33 -0.18 6.68 1.01 -1.26 -1.92 121.20 125.64 2jn3 s ILE 119 Ca 0.23 -1.81 -0.14 0.00 0.00 0.00 0.00 60.65 58.93 2jn3 s ILE 119 Cb -0.11 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 2jn3 s ILE 119 CO 0.15 -0.68 0.30 -0.13 0.00 0.00 0.00 174.94 174.58 2jn3 s ARG 120 N 1.26 4.22 -0.19 2.79 0.52 -0.04 -3.40 118.95 124.11 2jn3 s ARG 120 Ca 0.11 0.09 -0.07 0.00 -0.52 0.00 0.00 55.73 55.33 2jn3 s ARG 120 Cb -0.19 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 2jn3 s ARG 120 CO -0.18 0.16 0.06 1.03 0.02 0.00 0.00 175.30 176.39 2jn3 s ARG 121 N 0.72 3.91 0.18 3.54 0.52 -0.02 0.11 118.95 127.90 2jn3 s ARG 121 Ca 0.16 -0.37 0.09 0.00 -0.52 0.00 0.00 55.73 55.09 2jn3 s ARG 121 Cb -0.13 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 2jn3 s ARG 121 CO 0.05 0.19 -0.19 -1.12 0.02 0.00 0.00 175.30 174.25 2jn3 s SER 122 N 0.58 2.85 0.14 0.23 0.01 0.23 -2.06 113.70 115.68 2jn3 s SER 122 Ca 0.03 -0.89 0.11 0.00 1.31 0.00 0.00 55.95 56.50 2jn3 s SER 122 Cb -0.13 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2jn3 s SER 122 CO 0.01 -0.02 -0.25 -0.54 0.41 0.00 0.00 173.24 172.85 2jn3 s LYS 123 N -2.93 1.49 0.23 12.44 1.02 -0.94 0.20 119.74 131.25 2jn3 s LYS 123 Ca 0.18 -1.36 -0.30 0.00 0.02 0.00 0.00 55.97 54.51 2jn3 s LYS 123 Cb -0.05 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 2jn3 s LYS 123 CO 0.08 0.44 1.07 0.50 -0.92 0.00 0.00 175.35 176.52 2jn3 s ARG 124 N -2.22 4.66 0.00 1.68 3.52 -0.81 -1.67 118.95 124.11 2jn3 s ARG 124 Ca 0.16 1.72 0.00 0.00 -0.13 0.00 0.00 55.73 57.48 2jn3 s ARG 124 Cb -0.10 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2jn3 s ARG 124 CO 0.08 0.21 0.05 1.55 -0.81 0.00 0.00 175.30 176.37