#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 0.39 -3.73 0.00 0.04 -1.97 -3.46 116.94 108.22 2jn3 h PHE 2 Ca 0.00 -0.24 -0.56 0.00 2.80 0.00 0.00 57.97 59.97 2jn3 h PHE 2 Cb 0.00 -0.03 0.15 0.00 2.20 0.00 0.00 35.95 38.26 2jn3 h PHE 2 CO 0.00 1.09 0.39 -1.13 -0.60 0.00 0.00 178.31 178.06 2jn3 n SER 3 N -3.62 1.89 0.00 2.17 3.41 -1.26 -4.64 113.62 111.57 2jn3 n SER 3 Ca -0.05 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2jn3 n SER 3 Cb 0.88 -1.49 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 0.98 0.85 3.63 5.00 0.00 0.16 -4.93 105.19 110.88 2jn3 n GLY 4 Ca 0.11 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.95 4.54 0.08 2.61 2.01 -1.26 -1.04 115.64 121.62 2jn3 s THR 5 Ca 0.00 -0.13 0.10 0.00 0.31 0.00 0.00 61.69 61.96 2jn3 s THR 5 Cb 0.00 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 2jn3 s THR 5 CO 0.00 0.51 -0.25 0.26 -0.69 0.00 0.00 174.62 174.45 2jn3 s TRP 6 N 0.01 2.20 -0.17 4.92 0.52 -0.45 -1.94 118.94 124.04 2jn3 s TRP 6 Ca 0.04 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.76 2jn3 s TRP 6 Cb -0.12 -1.26 0.04 0.00 -1.15 0.00 0.00 33.47 30.98 2jn3 s TRP 6 CO 0.01 0.21 -0.06 -1.14 0.02 0.00 0.00 176.95 176.00 2jn3 s GLN 7 N -1.60 1.47 0.26 4.98 0.74 -0.41 -1.33 119.66 123.77 2jn3 s GLN 7 Ca 0.11 -0.52 -0.30 0.00 0.05 0.00 0.00 55.36 54.70 2jn3 s GLN 7 Cb -0.10 -2.01 -0.11 0.00 1.10 0.00 0.00 33.01 31.89 2jn3 s GLN 7 CO 0.04 -0.43 1.58 0.08 -0.55 0.00 0.00 175.29 176.02 2jn3 s VAL 8 N 1.62 2.21 0.00 1.34 1.01 -1.25 -2.32 120.40 123.01 2jn3 s VAL 8 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2jn3 s VAL 8 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2jn3 s VAL 8 CO -0.08 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.05 2jn3 n TYR 9 N 2.64 0.00 -3.88 5.22 0.18 -0.92 -4.79 117.16 115.62 2jn3 n TYR 9 Ca 0.10 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.73 2jn3 n TYR 9 Cb 0.38 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.18 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 -0.40 0.15 -0.15 -3.48 0.00 -1.22 -5.05 121.76 111.61 2jn3 s ALA 10 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 2jn3 s ALA 10 Cb 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 23.01 2jn3 s ALA 10 CO 0.00 -0.05 0.24 -0.65 0.00 0.00 0.00 175.76 175.31 2jn3 s GLN 11 N 0.64 0.15 0.13 0.00 -0.21 -1.26 -1.48 119.66 117.62 2jn3 s GLN 11 Ca -0.06 0.56 -0.19 0.00 0.02 0.00 0.00 55.36 55.70 2jn3 s GLN 11 Cb -0.08 -0.41 -0.07 0.00 1.00 0.00 0.00 33.01 33.44 2jn3 s GLN 11 CO -0.02 -0.41 0.61 -1.21 -2.12 0.00 0.00 175.29 172.15 2jn3 s GLU 12 N 2.38 4.18 -1.53 2.91 0.41 -1.23 -3.85 118.70 121.97 2jn3 s GLU 12 Ca 0.04 0.73 0.00 0.00 -0.41 0.00 0.00 54.97 55.33 2jn3 s GLU 12 Cb -0.13 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 2jn3 s GLU 12 CO -0.09 0.55 0.00 -1.71 -0.49 0.00 0.00 175.26 173.51 2jn3 n ASN 13 N 1.28 -4.68 -0.05 -0.19 5.15 -1.26 -4.00 115.26 111.51 2jn3 n ASN 13 Ca -0.07 0.21 -0.08 0.00 -0.60 0.00 0.00 54.58 54.04 2jn3 n ASN 13 Cb 0.51 -4.04 -0.02 0.00 -0.53 0.00 0.00 39.78 35.70 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2jn3 h TYR 14 N 0.00 -0.19 -0.26 1.20 3.20 -1.96 0.16 116.97 119.13 2jn3 h TYR 14 Ca -0.37 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.48 2jn3 h TYR 14 Cb 1.21 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 2jn3 h TYR 14 CO 0.57 -0.13 0.01 0.93 -1.64 0.00 0.00 178.16 177.90 2jn3 h GLU 15 N -0.04 0.45 0.78 1.82 5.08 -1.91 -2.29 114.58 118.47 2jn3 h GLU 15 Ca 0.12 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2jn3 h GLU 15 Cb 0.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jn3 h GLU 15 CO -0.26 0.60 -0.48 0.93 -1.00 0.00 0.00 179.01 178.80 2jn3 h GLU 16 N 0.23 -1.14 -0.13 2.33 3.07 -1.84 0.36 114.58 117.47 2jn3 h GLU 16 Ca 0.07 0.08 0.03 0.00 -0.50 0.00 0.00 59.36 59.04 2jn3 h GLU 16 Cb 0.40 0.26 -0.06 0.00 -0.84 0.00 0.00 28.75 28.50 2jn3 h GLU 16 CO 0.01 -0.76 -0.52 0.35 -1.40 0.00 0.00 179.01 176.69 2jn3 h PHE 17 N -1.18 -1.56 0.01 4.33 3.57 -0.73 -2.23 116.94 119.15 2jn3 h PHE 17 Ca -0.10 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.49 2jn3 h PHE 17 Cb 0.95 0.70 -0.05 0.00 2.79 0.00 0.00 35.95 40.34 2jn3 h PHE 17 CO -0.10 -0.53 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.11 2jn3 h LEU 18 N -0.56 -0.80 -0.83 0.59 3.38 -1.36 -1.73 115.31 114.00 2jn3 h LEU 18 Ca 0.03 0.11 0.26 0.00 0.09 0.00 0.00 57.88 58.36 2jn3 h LEU 18 Cb 0.66 0.33 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 2jn3 h LEU 18 CO -0.42 -0.34 0.12 0.29 0.09 0.00 0.00 178.44 178.18 2jn3 n LYS 19 N -5.38 -0.06 0.24 1.13 5.02 0.13 0.39 118.16 119.62 2jn3 n LYS 19 Ca -0.05 1.21 0.08 0.00 -2.02 0.00 0.00 58.31 57.54 2jn3 n LYS 19 Cb 0.30 -1.99 0.58 0.00 -0.02 0.00 0.00 35.03 33.90 2jn3 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jn3 h ALA 20 N 1.65 1.42 0.00 7.82 0.00 -0.90 -2.00 119.26 127.26 2jn3 h ALA 20 Ca 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2jn3 h ALA 20 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jn3 h ALA 20 CO -0.74 0.24 0.00 1.25 0.00 0.00 0.00 179.25 179.99 2jn3 h LEU 21 N 0.00 0.00 -0.08 0.00 5.85 0.75 -3.46 115.31 118.37 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 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jn3 h LEU 21 CO 0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 2jn3 n ALA 22 N -2.06 0.00 -1.75 1.25 0.00 -0.75 -5.04 120.51 112.16 2jn3 n ALA 22 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2jn3 n ALA 22 Cb 0.08 -0.50 0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.08 2.79 0.31 0.00 1.43 -1.26 -5.01 118.68 116.87 2jn3 s LEU 23 Ca 0.00 1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 54.02 2jn3 s LEU 23 Cb 0.00 -3.94 -0.09 0.00 0.03 0.00 0.00 46.19 42.19 2jn3 s LEU 23 CO 0.00 -1.58 1.12 -2.16 0.23 0.00 0.00 176.35 173.97 2jn3 s PRO 24 N -5.28 4.48 0.24 1.29 0.04 -1.26 -4.94 135.00 129.58 2jn3 s PRO 24 Ca 0.59 1.82 -0.06 0.00 0.04 0.00 0.00 61.00 63.39 2jn3 s PRO 24 Cb -0.12 -3.04 0.25 0.00 0.04 0.00 0.00 34.50 31.63 2jn3 s PRO 24 CO 0.53 0.06 1.84 0.93 0.04 0.00 0.00 177.00 180.40 2jn3 h GLU 25 N 3.47 1.16 -0.27 4.56 5.08 -1.98 -1.67 114.58 124.93 2jn3 h GLU 25 Ca -0.47 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 57.80 2jn3 h GLU 25 Cb 1.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2jn3 h GLU 25 CO 0.66 0.89 0.20 -0.44 -1.00 0.00 0.00 179.01 179.32 2jn3 h ASP 26 N 1.16 0.00 0.89 1.42 3.32 -1.99 0.13 116.42 121.35 2jn3 h ASP 26 Ca 0.28 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 2jn3 h ASP 26 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2jn3 h ASP 26 CO -0.04 0.00 -1.17 0.25 -1.72 0.00 0.00 179.24 176.57 2jn3 h LEU 27 N 0.00 0.00 0.23 1.55 5.85 -1.73 -3.16 115.31 118.05 2jn3 h LEU 27 Ca 0.13 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.51 2jn3 h LEU 27 Cb 0.54 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.59 2jn3 h LEU 27 CO -0.00 0.31 -1.57 0.40 -0.34 0.00 0.00 178.44 177.24 2jn3 h ILE 28 N 0.00 1.14 0.00 4.05 2.04 -0.22 -1.65 117.51 122.87 2jn3 h ILE 28 Ca -0.08 -2.61 -0.13 0.00 1.00 0.00 0.00 64.86 63.04 2jn3 h ILE 28 Cb 1.31 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 40.31 2jn3 h ILE 28 CO 0.03 0.83 -0.61 0.11 0.00 0.00 0.00 178.15 178.50 2jn3 h LYS 29 N 0.11 0.00 0.00 2.37 1.79 -0.98 0.76 116.57 120.62 2jn3 h LYS 29 Ca -0.29 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.01 2jn3 h LYS 29 Cb 2.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.75 2jn3 h LYS 29 CO 0.23 0.61 -1.26 1.98 -1.08 0.00 0.00 179.45 179.94 2jn3 h MET 30 N 0.00 0.00 -0.21 3.15 4.05 -1.65 -3.33 114.93 116.95 2jn3 h MET 30 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2jn3 h MET 30 Cb 1.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 2jn3 h MET 30 CO 0.08 0.35 0.00 0.00 0.23 0.00 0.00 176.91 177.57 2jn3 n ALA 31 N -2.37 2.43 0.69 0.39 0.00 -0.62 -4.32 120.51 116.72 2jn3 n ALA 31 Ca -0.08 -0.84 0.06 0.00 0.00 0.00 0.00 53.44 52.58 2jn3 n ALA 31 Cb 0.83 -0.77 0.33 0.00 0.00 0.00 0.00 19.45 19.85 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 1.30 0.33 -2.68 0.00 1.85 0.26 -3.02 116.66 114.70 2jn3 n ARG 32 Ca 0.16 0.04 -0.08 0.00 -1.00 0.00 0.00 57.85 56.96 2jn3 n ARG 32 Cb 0.56 -1.50 0.06 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 -1.06 0.32 -4.10 2.89 8.00 -1.26 -5.09 116.55 116.26 2jn3 n ASP 33 Ca 0.08 -2.60 -0.31 0.00 0.71 0.00 0.00 54.79 52.67 2jn3 n ASP 33 Cb 0.05 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.02 1.80 -1.06 0.53 1.01 -1.17 -5.06 121.20 115.23 2jn3 s ILE 34 Ca 0.25 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2jn3 s ILE 34 Cb 0.44 -1.63 0.23 0.00 0.01 0.00 0.00 42.46 41.51 2jn3 s ILE 34 CO -0.01 0.50 1.12 -0.54 0.00 0.00 0.00 174.94 176.01 2jn3 s LYS 35 N 1.10 4.01 0.27 2.79 3.01 -1.26 -5.02 119.74 124.63 2jn3 s LYS 35 Ca -0.02 -2.80 -0.29 0.00 -1.01 0.00 0.00 55.97 51.84 2jn3 s LYS 35 Cb -0.14 -4.68 -0.09 0.00 -1.01 0.00 0.00 37.83 31.91 2jn3 s LYS 35 CO -0.06 -1.42 1.15 -1.25 0.51 0.00 0.00 175.35 174.28 2jn3 s PRO 36 N 0.00 4.57 0.26 -1.68 0.04 -1.26 -4.85 135.00 132.07 2jn3 s PRO 36 Ca 0.31 1.88 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 2jn3 s PRO 36 Cb -0.08 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 2jn3 s PRO 36 CO -0.07 0.09 0.51 0.42 0.04 0.00 0.00 177.00 178.00 2jn3 s ILE 37 N -0.92 5.06 -0.10 0.56 1.01 -1.05 -3.85 121.20 121.90 2jn3 s ILE 37 Ca 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 61.13 2jn3 s ILE 37 Cb -0.33 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.45 2jn3 s ILE 37 CO 0.42 -0.25 -0.04 -0.69 0.00 0.00 0.00 174.94 174.38 2jn3 s VAL 38 N -1.99 0.75 -0.14 2.92 1.01 -0.44 -1.85 120.40 120.65 2jn3 s VAL 38 Ca 0.43 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 2jn3 s VAL 38 Cb -0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 2jn3 s VAL 38 CO 0.29 0.31 0.20 -0.70 0.00 0.00 0.00 175.10 175.19 2jn3 s GLU 39 N 1.82 3.89 -0.09 2.72 2.12 -0.87 -1.33 118.70 126.95 2jn3 s GLU 39 Ca 0.05 -0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.37 2jn3 s GLU 39 Cb -0.13 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 2jn3 s GLU 39 CO -0.07 0.51 -0.22 0.42 -0.54 0.00 0.00 175.26 175.36 2jn3 s ILE 40 N -0.30 1.90 -0.46 -3.70 1.01 -0.21 -1.99 121.20 117.45 2jn3 s ILE 40 Ca 0.14 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2jn3 s ILE 40 Cb -0.12 -1.64 0.21 0.00 0.01 0.00 0.00 42.46 40.92 2jn3 s ILE 40 CO 0.03 0.53 0.48 1.67 0.00 0.00 0.00 174.94 177.65 2jn3 n GLN 41 N 3.45 0.85 -1.66 2.79 7.27 -0.85 -0.67 117.38 128.55 2jn3 n GLN 41 Ca -0.19 -3.50 -0.30 0.00 0.07 0.00 0.00 57.00 53.08 2jn3 n GLN 41 Cb 0.53 -1.60 0.08 0.00 2.41 0.00 0.00 30.24 31.65 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 -0.92 2.31 -0.40 3.69 -2.07 -1.26 -3.67 119.66 117.33 2jn3 s GLN 42 Ca 0.34 0.57 0.09 0.00 -1.82 0.00 0.00 55.36 54.54 2jn3 s GLN 42 Cb 0.10 -1.95 0.38 0.00 -1.09 0.00 0.00 33.01 30.45 2jn3 s GLN 42 CO -0.14 -1.45 1.30 1.63 -1.32 0.00 0.00 175.29 175.32 2jn3 n LYS 43 N -3.30 1.17 0.00 9.60 4.76 -1.03 -4.97 118.16 124.38 2jn3 n LYS 43 Ca 0.07 -1.91 0.00 0.00 -2.87 0.00 0.00 58.31 53.60 2jn3 n LYS 43 Cb 0.57 -0.24 0.00 0.00 -1.84 0.00 0.00 35.03 33.52 2jn3 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jn3 n GLY 44 N -0.44 1.36 0.39 0.72 0.00 -1.26 -4.49 105.19 101.46 2jn3 n GLY 44 Ca -0.01 -0.89 0.07 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 1.67 -4.82 1.61 8.00 -1.26 -4.97 116.55 116.78 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 0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 2jn3 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jn3 s ASP 46 N -1.56 5.85 -0.01 -2.24 -1.08 -1.26 0.24 116.67 116.61 2jn3 s ASP 46 Ca 0.13 0.14 0.03 0.00 -0.52 0.00 0.00 52.55 52.33 2jn3 s ASP 46 Cb 0.11 -1.69 -0.01 0.00 -1.46 0.00 0.00 42.92 39.88 2jn3 s ASP 46 CO 0.30 0.21 -0.10 -0.36 0.52 0.00 0.00 175.17 175.74 2jn3 s PHE 47 N -1.35 0.92 -0.25 -5.34 0.40 -0.51 -2.48 117.98 109.38 2jn3 s PHE 47 Ca 0.28 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 2jn3 s PHE 47 Cb -0.12 -0.60 0.06 0.00 0.51 0.00 0.00 43.02 42.87 2jn3 s PHE 47 CO 0.20 -0.03 -0.06 0.08 0.70 0.00 0.00 175.22 176.12 2jn3 s VAL 48 N -0.17 1.74 -0.15 -0.44 1.01 -1.24 -1.98 120.40 119.17 2jn3 s VAL 48 Ca 0.03 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 2jn3 s VAL 48 Cb -0.05 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2jn3 s VAL 48 CO -0.00 -0.14 -0.06 -0.69 0.00 0.00 0.00 175.10 174.22 2jn3 s VAL 49 N 1.29 3.72 -0.21 2.92 1.01 -0.83 -2.00 120.40 126.29 2jn3 s VAL 49 Ca -0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2jn3 s VAL 49 Cb -0.19 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.63 2jn3 s VAL 49 CO -0.07 0.50 -0.01 -0.89 0.00 0.00 0.00 175.10 174.63 2jn3 s THR 50 N 0.35 1.03 -0.09 3.92 2.01 -0.84 -0.87 115.64 121.14 2jn3 s THR 50 Ca -0.06 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 60.92 2jn3 s THR 50 Cb -0.15 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 2jn3 s THR 50 CO 0.04 -0.13 0.43 -0.44 -0.69 0.00 0.00 174.62 173.83 2jn3 s SER 51 N 1.63 6.68 -0.13 3.53 0.01 -0.21 -2.06 113.70 123.15 2jn3 s SER 51 Ca -0.03 0.81 0.01 0.00 1.31 0.00 0.00 55.95 58.05 2jn3 s SER 51 Cb -0.18 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2jn3 s SER 51 CO -0.07 0.11 -0.13 -0.54 0.41 0.00 0.00 173.24 173.02 2jn3 s LYS 52 N 0.10 2.16 0.39 12.44 1.02 -0.77 -0.58 119.74 134.50 2jn3 s LYS 52 Ca 0.24 -0.51 0.08 0.00 0.02 0.00 0.00 55.97 55.79 2jn3 s LYS 52 Cb -0.15 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2jn3 s LYS 52 CO 0.10 -0.19 0.31 0.95 -0.92 0.00 0.00 175.35 175.60 2jn3 s THR 53 N 1.38 2.79 -0.18 2.17 -4.23 0.21 -2.54 115.64 115.24 2jn3 s THR 53 Ca 0.02 -1.44 0.29 0.00 -1.18 0.00 0.00 61.69 59.38 2jn3 s THR 53 Cb -0.13 -3.03 0.35 0.00 1.34 0.00 0.00 72.50 71.03 2jn3 s THR 53 CO -0.08 -0.05 1.84 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 -3.13 132.00 132.18 2jn3 h PRO 54 Ca -0.42 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2jn3 h PRO 54 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jn3 h PRO 54 CO 0.60 0.00 -1.80 0.54 -0.23 0.00 0.00 178.00 177.12 2jn3 n ARG 55 N -2.88 0.59 -3.52 0.86 1.74 -1.26 -5.04 116.66 107.14 2jn3 n ARG 55 Ca 0.02 -0.14 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 2jn3 n ARG 55 Cb 0.35 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 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 -3.11 0.87 -0.04 5.56 -2.07 -1.18 -5.16 119.66 114.52 2jn3 s GLN 56 Ca -0.06 -0.34 0.03 0.00 -1.82 0.00 0.00 55.36 53.17 2jn3 s GLN 56 Cb 0.10 0.39 0.01 0.00 -1.09 0.00 0.00 33.01 32.42 2jn3 s GLN 56 CO 0.70 -0.38 -0.12 0.95 -1.32 0.00 0.00 175.29 175.12 2jn3 s THR 57 N -3.16 1.03 -0.07 3.63 -4.23 -1.26 0.68 115.64 112.26 2jn3 s THR 57 Ca 0.05 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 2jn3 s THR 57 Cb -0.01 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 72.92 2jn3 s THR 57 CO -0.08 0.32 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.53 2jn3 s VAL 58 N 0.35 0.98 -0.07 2.29 1.01 0.25 -4.96 120.40 120.24 2jn3 s VAL 58 Ca -0.07 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2jn3 s VAL 58 Cb -0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2jn3 s VAL 58 CO 0.02 0.33 -0.10 -0.89 0.00 0.00 0.00 175.10 174.46 2jn3 s THR 59 N 0.84 3.45 0.07 3.92 2.01 -1.26 -1.05 115.64 123.62 2jn3 s THR 59 Ca -0.12 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.35 2jn3 s THR 59 Cb -0.15 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 2jn3 s THR 59 CO 0.02 0.58 -0.09 0.20 -0.69 0.00 0.00 174.62 174.64 2jn3 s ASN 60 N -0.60 1.13 -0.11 3.53 0.01 -0.05 -4.92 114.94 113.93 2jn3 s ASN 60 Ca 0.09 -0.71 -0.05 0.00 -0.71 0.00 0.00 52.86 51.47 2jn3 s ASN 60 Cb -0.12 0.03 0.05 0.00 0.41 0.00 0.00 41.25 41.63 2jn3 s ASN 60 CO 0.02 -0.26 0.25 -0.55 -1.51 0.00 0.00 177.10 175.04 2jn3 s SER 61 N -2.11 -0.16 0.25 -1.22 0.15 -1.26 -1.97 113.70 107.39 2jn3 s SER 61 Ca -0.01 0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.18 2jn3 s SER 61 Cb -0.05 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2jn3 s SER 61 CO -0.01 -0.18 0.21 0.72 1.20 0.00 0.00 173.24 175.19 2jn3 s PHE 62 N 1.45 1.34 0.01 3.44 -0.71 -0.84 -4.73 117.98 117.94 2jn3 s PHE 62 Ca -0.08 -1.45 0.07 0.00 -1.04 0.00 0.00 56.93 54.43 2jn3 s PHE 62 Cb -0.11 -0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 41.12 2jn3 s PHE 62 CO -0.08 -0.76 -0.22 0.99 -1.34 0.00 0.00 175.22 173.81 2jn3 s THR 63 N -3.85 1.74 -0.02 -4.49 2.01 -1.26 -1.43 115.64 108.34 2jn3 s THR 63 Ca 0.39 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 2jn3 s THR 63 Cb 0.05 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2jn3 s THR 63 CO 0.18 0.39 1.24 -0.76 -0.69 0.00 0.00 174.62 174.97 2jn3 s LEU 64 N -0.79 4.30 0.00 4.42 1.43 0.14 -2.71 118.68 125.47 2jn3 s LEU 64 Ca 0.08 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 2jn3 s LEU 64 Cb -0.09 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2jn3 s LEU 64 CO 0.00 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.61 2jn3 n GLY 65 N 3.39 0.44 2.95 -3.19 0.00 -1.12 -4.87 105.19 102.79 2jn3 n GLY 65 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2jn3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 66 N -0.95 0.28 -0.00 1.61 1.02 -1.10 -5.09 119.74 115.51 2jn3 s LYS 66 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 2jn3 s LYS 66 Cb 0.00 -0.17 -0.06 0.00 -0.52 0.00 0.00 37.83 37.08 2jn3 s LYS 66 CO 0.00 0.04 1.62 -2.00 -0.92 0.00 0.00 175.35 174.09 2jn3 s GLU 67 N -0.54 4.20 0.07 1.68 2.12 -1.26 -4.48 118.70 120.48 2jn3 s GLU 67 Ca -0.04 2.21 0.08 0.00 0.36 0.00 0.00 54.97 57.59 2jn3 s GLU 67 Cb -0.04 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 2jn3 s GLU 67 CO -0.00 -0.77 -0.22 0.00 -0.54 0.00 0.00 175.26 173.72 2jn3 s ALA 68 N 3.35 1.92 0.14 6.30 0.00 -1.18 -4.93 121.76 127.36 2jn3 s ALA 68 Ca 0.73 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.22 2jn3 s ALA 68 Cb -0.35 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 2jn3 s ALA 68 CO 0.30 0.42 0.87 -0.51 0.00 0.00 0.00 175.76 176.85 2jn3 s ASP 69 N -1.50 7.45 0.04 0.00 1.01 -1.26 -2.54 116.67 119.87 2jn3 s ASP 69 Ca 0.09 1.73 0.06 0.00 0.71 0.00 0.00 52.55 55.13 2jn3 s ASP 69 Cb -0.09 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2jn3 s ASP 69 CO 0.03 0.08 -0.16 -0.63 0.21 0.00 0.00 175.17 174.70 2jn3 s ILE 70 N -0.59 1.27 -0.08 0.77 -1.09 -0.29 -4.65 121.20 116.54 2jn3 s ILE 70 Ca 0.41 -1.04 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 2jn3 s ILE 70 Cb -0.23 -1.13 -0.02 0.00 -1.58 0.00 0.00 42.46 39.50 2jn3 s ILE 70 CO 0.28 0.08 -0.18 0.42 -1.23 0.00 0.00 174.94 174.31 2jn3 s THR 71 N -0.81 2.69 0.39 2.92 -4.23 -1.26 -2.50 115.64 112.83 2jn3 s THR 71 Ca 0.03 -0.83 -0.10 0.00 -1.18 0.00 0.00 61.69 59.62 2jn3 s THR 71 Cb -0.08 -2.06 -0.06 0.00 1.34 0.00 0.00 72.50 71.64 2jn3 s THR 71 CO 0.01 0.56 0.74 -0.89 -0.54 0.00 0.00 174.62 174.50 2jn3 s THR 72 N -0.12 4.82 -0.12 3.99 2.01 0.09 -4.93 115.64 121.39 2jn3 s THR 72 Ca -0.03 0.53 0.28 0.00 0.31 0.00 0.00 61.69 62.78 2jn3 s THR 72 Cb -0.14 -3.73 0.30 0.00 0.01 0.00 0.00 72.50 68.94 2jn3 s THR 72 CO 0.04 -0.49 1.85 -0.03 -0.69 0.00 0.00 174.62 175.30 2jn3 h MET 73 N 1.32 0.00 0.00 4.92 4.05 -1.98 -1.41 114.93 121.84 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 0.64 0.00 -0.30 -0.40 0.23 0.00 0.00 176.91 177.08 2jn3 n ASP 74 N -2.54 0.40 0.00 1.39 5.68 -1.26 -4.91 116.55 115.31 2jn3 n ASP 74 Ca 0.00 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 2jn3 n ASP 74 Cb 0.17 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 1.45 1.68 3.58 6.12 0.00 -0.53 -5.10 105.19 112.40 2jn3 n GLY 75 Ca 0.06 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 3.51 -0.11 1.61 1.02 -1.25 -4.90 119.74 119.01 2jn3 s LYS 76 Ca 0.00 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 55.52 2jn3 s LYS 76 Cb 0.00 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 2jn3 s LYS 76 CO 0.00 0.40 -0.02 0.21 -0.92 0.00 0.00 175.35 175.02 2jn3 s LYS 77 N -0.05 3.24 -0.06 1.68 2.20 -1.26 -0.73 119.74 124.77 2jn3 s LYS 77 Ca 0.03 -0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 2jn3 s LYS 77 Cb -0.13 -2.82 0.11 0.00 -1.51 0.00 0.00 37.83 33.48 2jn3 s LYS 77 CO 0.02 0.51 0.92 -0.48 -0.36 0.00 0.00 175.35 175.96 2jn3 s LEU 78 N -0.36 -0.38 0.36 5.43 2.34 -1.04 -5.04 118.68 120.00 2jn3 s LEU 78 Ca 0.06 0.17 0.07 0.00 0.06 0.00 0.00 54.13 54.50 2jn3 s LEU 78 Cb -0.12 1.99 -0.01 0.00 -0.56 0.00 0.00 46.19 47.48 2jn3 s LEU 78 CO 0.02 -0.52 0.41 -0.54 -1.06 0.00 0.00 176.35 174.65 2jn3 s LYS 79 N -2.34 2.82 -0.29 1.48 1.02 -1.26 -1.14 119.74 120.03 2jn3 s LYS 79 Ca 0.02 -1.25 -0.25 0.00 0.02 0.00 0.00 55.97 54.51 2jn3 s LYS 79 Cb -0.01 -2.61 0.17 0.00 -0.52 0.00 0.00 37.83 34.87 2jn3 s LYS 79 CO -0.04 -0.03 1.31 0.00 -0.92 0.00 0.00 175.35 175.67 2jn3 s THR 81 N 0.11 5.13 0.28 0.00 2.01 -1.26 -3.11 115.64 118.79 2jn3 s THR 81 Ca 0.06 -1.35 -0.29 0.00 0.31 0.00 0.00 61.69 60.42 2jn3 s THR 81 Cb -0.05 -4.35 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 2jn3 s THR 81 CO -0.13 -0.90 1.15 -0.69 -0.69 0.00 0.00 174.62 173.36 2jn3 s VAL 82 N 1.84 3.36 0.11 3.82 1.01 -1.26 -4.71 120.40 124.56 2jn3 s VAL 82 Ca 0.05 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.38 2jn3 s VAL 82 Cb -0.28 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2jn3 s VAL 82 CO 0.04 0.31 -0.04 -1.38 0.00 0.00 0.00 175.10 174.03 2jn3 s HIS 83 N -1.01 0.89 -0.16 5.22 -3.43 -1.16 -2.79 115.29 112.84 2jn3 s HIS 83 Ca 0.46 -0.98 -0.05 0.00 -0.80 0.00 0.00 55.06 53.69 2jn3 s HIS 83 Cb -0.33 -0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 30.26 2jn3 s HIS 83 CO 0.43 -0.22 0.01 -0.51 -2.00 0.00 0.00 174.74 172.45 2jn3 s LEU 84 N -3.05 3.52 -0.12 5.38 1.43 -1.26 -2.35 118.68 122.23 2jn3 s LEU 84 Ca 0.14 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2jn3 s LEU 84 Cb 0.06 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.45 2jn3 s LEU 84 CO -0.04 0.18 0.01 0.00 0.23 0.00 0.00 176.35 176.74 2jn3 s ALA 85 N 0.29 0.82 -1.79 4.21 0.00 -0.71 -4.79 121.76 119.79 2jn3 s ALA 85 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2jn3 s ALA 85 Cb -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2jn3 s ALA 85 CO 0.02 -0.74 0.00 0.09 0.00 0.00 0.00 175.76 175.13 2jn3 n ASN 86 N 5.11 -5.63 -0.71 0.00 3.02 -1.26 -1.57 115.26 114.22 2jn3 n ASN 86 Ca -0.08 0.10 -0.03 0.00 -0.03 0.00 0.00 54.58 54.54 2jn3 n ASN 86 Cb 0.49 -4.75 0.01 0.00 -0.61 0.00 0.00 39.78 34.92 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jn3 n GLY 87 N -0.88 0.67 2.76 7.41 0.00 -1.26 -5.05 105.19 108.85 2jn3 n GLY 87 Ca -0.23 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.91 -0.02 -0.06 1.61 1.02 -0.61 -4.83 119.74 111.95 2jn3 s LYS 88 Ca 0.05 0.42 -0.30 0.00 0.02 0.00 0.00 55.97 56.16 2jn3 s LYS 88 Cb -0.02 -0.37 -0.03 0.00 -0.52 0.00 0.00 37.83 36.89 2jn3 s LYS 88 CO 0.06 -0.29 1.10 -1.17 -0.92 0.00 0.00 175.35 174.14 2jn3 s LEU 89 N 1.98 4.29 -0.05 3.17 0.20 -1.17 -1.75 118.68 125.35 2jn3 s LEU 89 Ca 0.01 1.71 0.00 0.00 0.69 0.00 0.00 54.13 56.55 2jn3 s LEU 89 Cb -0.12 -3.56 0.02 0.00 -0.43 0.00 0.00 46.19 42.10 2jn3 s LEU 89 CO -0.04 -0.48 -0.02 -0.69 -0.29 0.00 0.00 176.35 174.82 2jn3 s VAL 90 N 1.88 0.41 -0.63 1.68 1.01 -0.99 -1.33 120.40 122.42 2jn3 s VAL 90 Ca 0.53 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2jn3 s VAL 90 Cb -0.22 -0.49 0.16 0.00 0.00 0.00 0.00 36.38 35.83 2jn3 s VAL 90 CO 0.22 0.21 0.42 -0.89 0.00 0.00 0.00 175.10 175.06 2jn3 s THR 91 N 1.21 3.03 0.76 3.92 2.01 0.33 -2.99 115.64 123.91 2jn3 s THR 91 Ca -0.07 -3.65 -0.12 0.00 0.31 0.00 0.00 61.69 58.17 2jn3 s THR 91 Cb -0.14 -3.02 0.05 0.00 0.01 0.00 0.00 72.50 69.40 2jn3 s THR 91 CO -0.02 -0.91 1.13 -1.59 -0.69 0.00 0.00 174.62 172.55 2jn3 s LYS 92 N -0.76 2.42 0.00 4.92 -2.85 -1.26 -2.19 119.74 120.03 2jn3 s LYS 92 Ca 0.21 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.51 2jn3 s LYS 92 Cb -0.16 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 2jn3 s LYS 92 CO -0.07 -1.32 0.00 0.43 0.10 0.00 0.00 175.35 174.49 2jn3 n SER 93 N -3.17 0.00 -2.54 0.03 7.64 -0.66 -4.68 113.62 110.24 2jn3 n SER 93 Ca 0.07 -0.72 -0.36 0.00 1.01 0.00 0.00 58.87 58.87 2jn3 n SER 93 Cb 0.59 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.85 2jn3 n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jn3 n GLU 94 N 0.00 2.75 0.00 1.43 1.02 -1.26 -4.28 120.64 120.30 2jn3 n GLU 94 Ca 0.00 -3.42 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 2jn3 n GLU 94 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 2jn3 n GLU 94 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2jn3 n LYS 95 N -0.77 0.00 -3.64 3.49 2.85 -1.26 -5.15 118.16 113.69 2jn3 n LYS 95 Ca 0.59 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.81 2jn3 n LYS 95 Cb 0.51 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.83 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 -0.11 0.16 5.58 -0.12 -1.26 -4.75 117.98 117.48 2jn3 s PHE 96 Ca 0.00 0.24 0.09 0.00 -0.05 0.00 0.00 56.93 57.21 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 -0.07 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.77 2jn3 s SER 97 N -0.45 2.88 0.02 1.98 0.01 -0.82 -1.65 113.70 115.67 2jn3 s SER 97 Ca 0.07 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.50 2jn3 s SER 97 Cb -0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 2jn3 s SER 97 CO -0.10 0.03 -0.04 -2.28 0.41 0.00 0.00 173.24 171.26 2jn3 s HIS 98 N -1.77 0.31 -0.27 2.43 5.04 -0.93 -2.57 115.29 117.54 2jn3 s HIS 98 Ca 0.15 -0.32 -0.10 0.00 -1.54 0.00 0.00 55.06 53.26 2jn3 s HIS 98 Cb -0.07 -0.20 0.11 0.00 0.04 0.00 0.00 32.58 32.46 2jn3 s HIS 98 CO 0.07 -0.09 0.59 -2.00 -2.34 0.00 0.00 174.74 170.97 2jn3 s GLU 99 N -0.90 0.52 0.25 2.88 2.12 0.83 -0.51 118.70 123.89 2jn3 s GLU 99 Ca -0.08 1.32 0.10 0.00 0.36 0.00 0.00 54.97 56.67 2jn3 s GLU 99 Cb -0.06 0.66 -0.05 0.00 0.26 0.00 0.00 34.13 34.94 2jn3 s GLU 99 CO -0.00 -0.21 -0.18 -1.14 -0.54 0.00 0.00 175.26 173.19 2jn3 s GLN 100 N 2.69 1.53 -0.14 4.30 0.74 -0.44 0.20 119.66 128.52 2jn3 s GLN 100 Ca -0.05 -1.68 -0.25 0.00 0.05 0.00 0.00 55.36 53.43 2jn3 s GLN 100 Cb -0.11 -1.50 0.06 0.00 1.10 0.00 0.00 33.01 32.56 2jn3 s GLN 100 CO -0.17 0.27 0.62 -1.21 -0.55 0.00 0.00 175.29 174.24 2jn3 s GLU 101 N -3.54 0.85 -0.05 1.67 2.02 0.04 -3.06 118.70 116.63 2jn3 s GLU 101 Ca 0.26 0.54 0.02 0.00 0.02 0.00 0.00 54.97 55.81 2jn3 s GLU 101 Cb -0.03 0.40 -0.03 0.00 0.10 0.00 0.00 34.13 34.57 2jn3 s GLU 101 CO 0.11 -0.19 -0.08 0.54 0.02 0.00 0.00 175.26 175.67 2jn3 s VAL 102 N -0.41 3.60 -0.33 2.63 0.11 -1.26 -0.70 120.40 124.05 2jn3 s VAL 102 Ca -0.06 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.41 2jn3 s VAL 102 Cb -0.03 -2.48 0.11 0.00 -1.53 0.00 0.00 36.38 32.45 2jn3 s VAL 102 CO 0.05 0.56 0.16 -0.54 -3.33 0.00 0.00 175.10 171.99 2jn3 s LYS 103 N -0.92 0.52 5.80 1.54 1.02 -0.34 -4.74 119.74 122.62 2jn3 s LYS 103 Ca 0.13 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.10 2jn3 s LYS 103 Cb -0.11 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 2jn3 s LYS 103 CO 0.02 -1.08 0.00 0.41 -0.92 0.00 0.00 175.35 173.79 2jn3 n GLY 104 N 4.65 1.70 0.26 -3.33 0.00 -1.26 -2.94 105.19 104.28 2jn3 n GLY 104 Ca 0.01 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 9.78 2.41 -4.48 1.61 3.02 -1.26 -4.82 115.26 121.53 2jn3 n ASN 105 Ca 0.00 -2.09 -0.26 0.00 -0.03 0.00 0.00 54.58 52.21 2jn3 n ASN 105 Cb 0.00 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 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 -1.15 1.72 -0.00 3.52 2.02 -1.15 -2.28 118.70 121.38 2jn3 s GLU 106 Ca 0.11 -1.55 0.05 0.00 0.02 0.00 0.00 54.97 53.60 2jn3 s GLU 106 Cb 0.07 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.39 2jn3 s GLU 106 CO 0.06 0.38 -0.15 1.41 0.02 0.00 0.00 175.26 176.98 2jn3 s MET 107 N -3.04 1.16 -0.11 1.61 -2.45 0.41 -1.20 119.30 115.68 2jn3 s MET 107 Ca 0.25 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 54.12 2jn3 s MET 107 Cb -0.07 -1.14 0.02 0.00 1.25 0.00 0.00 34.83 34.89 2jn3 s MET 107 CO 0.13 0.31 -0.13 0.08 1.05 0.00 0.00 175.02 176.46 2jn3 s VAL 108 N -0.44 1.37 -0.28 10.11 1.01 0.13 0.84 120.40 133.14 2jn3 s VAL 108 Ca 0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2jn3 s VAL 108 Cb -0.06 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2jn3 s VAL 108 CO -0.00 0.42 0.03 -1.61 0.00 0.00 0.00 175.10 173.94 2jn3 s GLU 109 N 1.18 3.03 -0.23 2.72 2.02 0.45 -0.78 118.70 127.09 2jn3 s GLU 109 Ca -0.03 -0.88 -0.07 0.00 0.02 0.00 0.00 54.97 54.01 2jn3 s GLU 109 Cb -0.14 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 2jn3 s GLU 109 CO -0.04 -0.41 0.07 0.99 0.02 0.00 0.00 175.26 175.88 2jn3 s THR 110 N 1.44 4.42 -0.06 3.63 2.01 0.52 0.55 115.64 128.16 2jn3 s THR 110 Ca 0.02 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.90 2jn3 s THR 110 Cb -0.17 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.31 2jn3 s THR 110 CO -0.00 0.37 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.56 2jn3 s ILE 111 N 1.27 1.02 -0.11 1.82 1.01 -0.49 -0.12 121.20 125.61 2jn3 s ILE 111 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 2jn3 s ILE 111 Cb -0.15 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2jn3 s ILE 111 CO 0.03 0.33 -0.05 -0.89 0.00 0.00 0.00 174.94 174.36 2jn3 s THR 112 N 0.73 3.83 -0.28 2.92 2.01 -1.06 0.04 115.64 123.83 2jn3 s THR 112 Ca -0.14 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 2jn3 s THR 112 Cb -0.15 -2.62 0.09 0.00 0.01 0.00 0.00 72.50 69.83 2jn3 s THR 112 CO 0.03 0.56 0.65 0.12 -0.69 0.00 0.00 174.62 175.29 2jn3 s PHE 113 N -0.33 -1.10 -0.75 4.92 2.19 0.16 -1.94 117.98 121.13 2jn3 s PHE 113 Ca 0.05 2.11 -0.01 0.00 0.33 0.00 0.00 56.93 59.41 2jn3 s PHE 113 Cb -0.12 0.65 0.00 0.00 -1.31 0.00 0.00 43.02 42.24 2jn3 s PHE 113 CO 0.02 -0.55 0.15 0.41 1.83 0.00 0.00 175.22 177.08 2jn3 n GLY 114 N 4.65 0.07 2.78 13.12 0.00 -1.26 -2.13 105.19 122.42 2jn3 n GLY 114 Ca -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.06 0.49 3.61 -0.02 0.00 -1.26 -4.99 105.19 101.97 2jn3 n GLY 115 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2jn3 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jn3 s VAL 116 N -2.28 3.77 -0.11 1.61 1.01 -0.90 -5.11 120.40 118.38 2jn3 s VAL 116 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2jn3 s VAL 116 Cb 0.00 -2.63 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2jn3 s VAL 116 CO 0.00 0.43 -0.21 -0.89 0.00 0.00 0.00 175.10 174.42 2jn3 s THR 117 N -0.98 2.29 0.06 3.92 2.01 -1.26 0.36 115.64 122.04 2jn3 s THR 117 Ca 0.17 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.28 2jn3 s THR 117 Cb -0.11 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2jn3 s THR 117 CO 0.07 0.55 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.26 2jn3 s LEU 118 N 0.32 3.18 -0.40 4.42 2.96 0.11 -4.91 118.68 124.36 2jn3 s LEU 118 Ca -0.17 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2jn3 s LEU 118 Cb -0.17 -1.90 0.11 0.00 0.50 0.00 0.00 46.19 44.73 2jn3 s LEU 118 CO 0.08 0.22 0.14 -0.63 -1.32 0.00 0.00 176.35 174.84 2jn3 s ILE 119 N -1.13 2.12 -0.30 6.68 1.01 -1.26 -1.39 121.20 126.93 2jn3 s ILE 119 Ca 0.20 -2.56 -0.21 0.00 0.00 0.00 0.00 60.65 58.08 2jn3 s ILE 119 Cb -0.11 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 2jn3 s ILE 119 CO 0.12 -0.70 0.69 -0.60 0.00 0.00 0.00 174.94 174.45 2jn3 s ARG 120 N 0.57 3.94 -0.20 2.79 3.52 0.19 -3.55 118.95 126.21 2jn3 s ARG 120 Ca 0.13 0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 56.07 2jn3 s ARG 120 Cb -0.21 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 2jn3 s ARG 120 CO -0.07 -0.60 0.11 1.03 -0.81 0.00 0.00 175.30 174.96 2jn3 s ARG 121 N 2.72 4.07 0.11 5.12 0.52 -0.55 0.17 118.95 131.11 2jn3 s ARG 121 Ca 0.28 -0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.28 2jn3 s ARG 121 Cb -0.15 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2jn3 s ARG 121 CO 0.12 0.23 -0.18 -1.12 0.02 0.00 0.00 175.30 174.37 2jn3 s SER 122 N 0.52 2.32 0.20 0.23 0.01 0.25 -2.15 113.70 115.07 2jn3 s SER 122 Ca 0.06 -0.73 0.08 0.00 1.31 0.00 0.00 55.95 56.67 2jn3 s SER 122 Cb -0.12 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 2jn3 s SER 122 CO 0.00 -0.02 -0.02 -0.75 0.41 0.00 0.00 173.24 172.87 2jn3 s LYS 123 N -2.18 2.31 0.09 12.44 2.20 -0.98 0.15 119.74 133.77 2jn3 s LYS 123 Ca 0.07 -1.23 -0.26 0.00 -0.36 0.00 0.00 55.97 54.19 2jn3 s LYS 123 Cb -0.08 -2.27 -0.06 0.00 -1.51 0.00 0.00 37.83 33.91 2jn3 s LYS 123 CO 0.04 0.42 0.82 0.50 -0.36 0.00 0.00 175.35 176.78 2jn3 s ARG 124 N -3.14 4.57 0.00 4.03 3.52 -0.96 -1.29 118.95 125.67 2jn3 s ARG 124 Ca 0.28 1.19 0.16 0.00 -0.13 0.00 0.00 55.73 57.23 2jn3 s ARG 124 Cb -0.08 -3.35 0.13 0.00 -1.56 0.00 0.00 34.95 30.08 2jn3 s ARG 124 CO 0.18 0.32 1.01 0.28 -0.81 0.00 0.00 175.30 176.28