#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 0.12 -3.73 0.00 -1.00 -1.96 -3.46 116.94 106.92 2jn3 h PHE 2 Ca 0.00 -0.08 -0.56 0.00 2.81 0.00 0.00 57.97 60.14 2jn3 h PHE 2 Cb 0.00 -0.01 0.15 0.00 3.61 0.00 0.00 35.95 39.70 2jn3 h PHE 2 CO 0.00 0.95 0.37 0.43 -1.61 0.00 0.00 178.31 178.45 2jn3 n SER 3 N -3.53 1.79 0.00 2.17 7.64 -1.26 -4.60 113.62 115.83 2jn3 n SER 3 Ca -0.02 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.78 2jn3 n SER 3 Cb 0.86 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.01 2.85 3.83 0.23 0.00 0.34 -4.93 105.19 108.52 2jn3 n GLY 4 Ca 0.12 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 2jn3 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jn3 s THR 5 N -2.61 4.46 -0.03 2.61 2.01 -1.26 -2.59 115.64 118.23 2jn3 s THR 5 Ca 0.00 1.36 0.01 0.00 0.31 0.00 0.00 61.69 63.37 2jn3 s THR 5 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.91 2jn3 s THR 5 CO 0.00 -0.38 -0.02 0.26 -0.69 0.00 0.00 174.62 173.79 2jn3 s TRP 6 N -2.24 0.45 0.04 4.92 0.52 -0.74 -3.75 118.94 118.14 2jn3 s TRP 6 Ca 0.60 -0.07 -0.09 0.00 0.02 0.00 0.00 56.10 56.57 2jn3 s TRP 6 Cb -0.09 -0.47 -0.05 0.00 -1.15 0.00 0.00 33.47 31.71 2jn3 s TRP 6 CO 0.17 -0.13 0.34 -1.14 0.02 0.00 0.00 176.95 176.21 2jn3 s GLN 7 N 0.85 3.68 -0.05 4.98 0.74 0.87 -2.56 119.66 128.17 2jn3 s GLN 7 Ca -0.09 0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 2jn3 s GLN 7 Cb -0.13 -3.05 -0.06 0.00 1.10 0.00 0.00 33.01 30.88 2jn3 s GLN 7 CO -0.01 0.61 1.67 0.08 -0.55 0.00 0.00 175.29 177.09 2jn3 s VAL 8 N -1.33 3.55 -0.01 1.34 1.01 -1.26 0.14 120.40 123.83 2jn3 s VAL 8 Ca 0.30 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.95 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 0.17 -0.06 -0.00 1.88 0.00 0.00 0.00 175.10 177.09 2jn3 h TYR 9 N 9.60 0.00 -3.76 5.22 0.05 2.15 -3.46 116.97 126.77 2jn3 h TYR 9 Ca -0.40 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.30 2jn3 h TYR 9 Cb 1.18 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.82 2jn3 h TYR 9 CO 0.89 0.00 -0.18 0.00 -1.05 0.00 0.00 178.16 177.82 2jn3 s ALA 10 N -2.94 -0.09 -0.21 3.88 0.00 -1.21 -4.95 121.76 116.24 2jn3 s ALA 10 Ca -0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 2jn3 s ALA 10 Cb 0.00 1.09 0.10 0.00 0.00 0.00 0.00 23.12 24.31 2jn3 s ALA 10 CO 0.00 -0.81 0.25 -0.65 0.00 0.00 0.00 175.76 174.55 2jn3 s GLN 11 N -4.03 0.22 0.37 0.00 -0.21 -1.26 -2.86 119.66 111.89 2jn3 s GLN 11 Ca 0.24 0.30 -0.08 0.00 0.02 0.00 0.00 55.36 55.83 2jn3 s GLN 11 Cb 0.00 -1.00 -0.06 0.00 1.00 0.00 0.00 33.01 32.96 2jn3 s GLN 11 CO 0.09 -0.63 0.69 -1.21 -2.12 0.00 0.00 175.29 172.10 2jn3 s GLU 12 N 2.37 3.71 -0.80 2.91 0.41 -1.25 -3.88 118.70 122.18 2jn3 s GLU 12 Ca 0.08 0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 2jn3 s GLU 12 Cb -0.15 -2.49 0.00 0.00 -1.78 0.00 0.00 34.13 29.71 2jn3 s GLU 12 CO -0.13 0.05 0.00 0.09 -0.49 0.00 0.00 175.26 174.78 2jn3 n ASN 13 N -1.22 -2.15 -0.10 -0.19 3.02 -1.26 -4.31 115.26 109.05 2jn3 n ASN 13 Ca 0.01 0.21 -0.11 0.00 -0.03 0.00 0.00 54.58 54.65 2jn3 n ASN 13 Cb 0.54 -2.16 -0.08 0.00 -0.61 0.00 0.00 39.78 37.47 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2jn3 h TYR 14 N 0.00 -1.39 0.01 3.10 5.03 -1.95 -0.87 116.97 120.91 2jn3 h TYR 14 Ca -0.16 0.07 0.03 0.00 2.58 0.00 0.00 58.73 61.24 2jn3 h TYR 14 Cb 0.59 0.65 -0.05 0.00 1.55 0.00 0.00 36.73 39.46 2jn3 h TYR 14 CO 0.29 -0.41 -0.44 0.93 -1.32 0.00 0.00 178.16 177.22 2jn3 h GLU 15 N -0.35 -0.58 -0.92 1.82 5.08 -1.91 -1.63 114.58 116.10 2jn3 h GLU 15 Ca 0.05 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.65 2jn3 h GLU 15 Cb 0.49 0.13 -0.17 0.00 0.50 0.00 0.00 28.75 29.70 2jn3 h GLU 15 CO -0.47 -0.39 -0.20 0.93 -1.00 0.00 0.00 179.01 177.89 2jn3 h GLU 16 N -0.60 0.00 0.03 2.33 3.07 -1.77 -0.57 114.58 117.08 2jn3 h GLU 16 Ca 0.04 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.91 2jn3 h GLU 16 Cb 0.67 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.54 2jn3 h GLU 16 CO -0.32 0.00 -0.39 0.35 -1.40 0.00 0.00 179.01 177.26 2jn3 h PHE 17 N 0.00 -1.13 -0.82 4.33 3.57 -0.18 -1.54 116.94 121.17 2jn3 h PHE 17 Ca 0.45 0.03 0.19 0.00 3.53 0.00 0.00 57.97 62.18 2jn3 h PHE 17 Cb 0.72 0.49 -0.14 0.00 2.79 0.00 0.00 35.95 39.81 2jn3 h PHE 17 CO -0.68 -0.42 0.01 -0.07 -2.23 0.00 0.00 178.31 174.92 2jn3 h LEU 18 N -0.51 -0.37 -1.10 0.59 3.38 -0.93 0.55 115.31 116.93 2jn3 h LEU 18 Ca 0.00 0.22 0.23 0.00 0.09 0.00 0.00 57.88 58.42 2jn3 h LEU 18 Cb 0.53 0.38 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 2jn3 h LEU 18 CO -0.24 -0.21 0.62 0.11 0.09 0.00 0.00 178.44 178.80 2jn3 h LYS 19 N 0.09 0.57 -0.09 1.13 1.57 -0.61 0.93 116.57 120.16 2jn3 h LYS 19 Ca 0.46 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.98 2jn3 h LYS 19 Cb 0.84 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.03 2jn3 h LYS 19 CO -0.73 0.38 -0.83 0.00 -0.57 0.00 0.00 179.45 177.70 2jn3 h ALA 20 N 1.68 0.35 -0.05 3.86 0.00 0.45 -3.05 119.26 122.50 2jn3 h ALA 20 Ca 0.61 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jn3 h ALA 20 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jn3 h ALA 20 CO -0.41 0.72 0.06 1.25 0.00 0.00 0.00 179.25 180.87 2jn3 h LEU 21 N 0.43 0.00 0.00 0.00 5.85 -0.06 -3.45 115.31 118.08 2jn3 h LEU 21 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2jn3 h LEU 21 Cb 1.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.48 2jn3 h LEU 21 CO 0.16 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.26 2jn3 n ALA 22 N -2.30 0.00 -1.27 1.25 0.00 -0.86 -5.03 120.51 112.31 2jn3 n ALA 22 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 2jn3 n ALA 22 Cb 0.15 -0.49 0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 1.59 0.25 0.00 1.43 -1.25 -4.98 118.68 115.72 2jn3 s LEU 23 Ca 0.00 1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.84 2jn3 s LEU 23 Cb 0.00 -3.19 -0.09 0.00 0.03 0.00 0.00 46.19 42.94 2jn3 s LEU 23 CO 0.00 -3.11 1.16 -2.16 0.23 0.00 0.00 176.35 172.47 2jn3 s PRO 24 N -5.11 4.55 0.24 1.29 0.04 -1.26 -4.92 135.00 129.83 2jn3 s PRO 24 Ca 0.66 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 63.50 2jn3 s PRO 24 Cb -0.16 -3.20 0.26 0.00 0.04 0.00 0.00 34.50 31.43 2jn3 s PRO 24 CO 0.56 0.06 1.91 1.49 0.04 0.00 0.00 177.00 181.06 2jn3 h GLU 25 N 4.33 1.20 -0.79 4.56 4.81 -1.99 -1.22 114.58 125.47 2jn3 h GLU 25 Ca -0.46 -0.07 0.18 0.00 -0.13 0.00 0.00 59.36 58.88 2jn3 h GLU 25 Cb 1.21 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 2jn3 h GLU 25 CO 0.70 0.79 0.54 -0.44 -0.73 0.00 0.00 179.01 179.86 2jn3 h ASP 26 N 1.23 0.31 0.43 1.04 3.32 -2.00 -0.48 116.42 120.27 2jn3 h ASP 26 Ca 0.35 0.02 -0.31 0.00 0.02 0.00 0.00 57.03 57.12 2jn3 h ASP 26 Cb -0.09 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2jn3 h ASP 26 CO -0.09 0.14 -1.60 0.25 -1.72 0.00 0.00 179.24 176.22 2jn3 h LEU 27 N 0.32 0.33 0.18 1.55 5.85 -1.67 -3.23 115.31 118.64 2jn3 h LEU 27 Ca 0.39 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2jn3 h LEU 27 Cb 1.07 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2jn3 h LEU 27 CO -0.11 1.43 -0.09 0.40 -0.34 0.00 0.00 178.44 179.73 2jn3 h ILE 28 N 0.06 0.89 -0.05 4.05 2.04 -0.10 0.80 117.51 125.20 2jn3 h ILE 28 Ca -0.26 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2jn3 h ILE 28 Cb 2.01 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2jn3 h ILE 28 CO 0.14 0.08 0.03 0.11 0.00 0.00 0.00 178.15 178.51 2jn3 h LYS 29 N -0.40 0.00 0.00 2.37 1.57 -1.31 0.51 116.57 119.31 2jn3 h LYS 29 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jn3 h LYS 29 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jn3 h LYS 29 CO 0.04 0.00 -0.41 -1.33 -0.57 0.00 0.00 179.45 177.18 2jn3 n MET 30 N -4.47 0.16 0.00 3.15 2.81 -0.99 -3.72 117.12 114.07 2jn3 n MET 30 Ca -0.02 0.07 0.05 0.00 -1.81 0.00 0.00 57.70 55.99 2jn3 n MET 30 Cb 0.14 -1.62 0.01 0.00 -0.71 0.00 0.00 33.22 31.03 2jn3 n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jn3 n ALA 31 N -1.68 2.73 0.24 3.04 0.00 0.24 -4.48 120.51 120.60 2jn3 n ALA 31 Ca 0.05 -0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.05 2jn3 n ALA 31 Cb 0.39 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 19.64 2jn3 n ALA 31 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jn3 n ARG 32 N -0.07 0.06 -2.86 0.00 -4.01 0.16 -3.02 116.66 106.92 2jn3 n ARG 32 Ca 0.04 0.27 -0.12 0.00 -1.04 0.00 0.00 57.85 57.01 2jn3 n ARG 32 Cb 0.21 -1.50 0.04 0.00 -3.04 0.00 0.00 32.46 28.17 2jn3 n ARG 32 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2jn3 n ASP 33 N -1.33 -0.05 -3.85 2.89 -0.08 -1.26 -4.92 116.55 107.95 2jn3 n ASP 33 Ca 0.02 -2.95 -0.28 0.00 -1.51 0.00 0.00 54.79 50.07 2jn3 n ASP 33 Cb 0.05 0.17 -0.16 0.00 2.34 0.00 0.00 41.12 43.51 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jn3 s ILE 34 N -1.68 0.96 -0.97 5.18 1.01 -1.17 -5.07 121.20 119.47 2jn3 s ILE 34 Ca 0.30 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 2jn3 s ILE 34 Cb 0.38 -1.21 0.23 0.00 0.01 0.00 0.00 42.46 41.87 2jn3 s ILE 34 CO -0.04 0.05 0.97 -0.54 0.00 0.00 0.00 174.94 175.39 2jn3 s LYS 35 N 1.69 3.86 0.49 2.79 1.02 -1.26 -5.03 119.74 123.30 2jn3 s LYS 35 Ca 0.00 -2.68 -0.21 0.00 0.02 0.00 0.00 55.97 53.11 2jn3 s LYS 35 Cb -0.16 -4.57 -0.08 0.00 -0.52 0.00 0.00 37.83 32.51 2jn3 s LYS 35 CO -0.07 -1.35 1.08 -1.25 -0.92 0.00 0.00 175.35 172.83 2jn3 s PRO 36 N -0.01 3.70 0.72 -1.68 0.04 -1.26 -4.75 135.00 131.76 2jn3 s PRO 36 Ca 0.26 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2jn3 s PRO 36 Cb -0.09 -2.14 0.11 0.00 0.04 0.00 0.00 34.50 32.43 2jn3 s PRO 36 CO -0.08 -0.53 1.00 0.42 0.04 0.00 0.00 177.00 177.85 2jn3 s ILE 37 N -1.85 2.23 -0.21 0.56 1.01 -1.07 -4.18 121.20 117.68 2jn3 s ILE 37 Ca 0.68 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.78 2jn3 s ILE 37 Cb -0.20 -2.75 0.10 0.00 0.01 0.00 0.00 42.46 39.62 2jn3 s ILE 37 CO 0.24 0.00 0.44 -0.69 0.00 0.00 0.00 174.94 174.93 2jn3 s VAL 38 N -3.19 -0.68 0.10 2.92 1.01 -1.06 -3.03 120.40 116.46 2jn3 s VAL 38 Ca 0.65 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.79 2jn3 s VAL 38 Cb -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2jn3 s VAL 38 CO 0.45 0.06 0.21 -0.70 0.00 0.00 0.00 175.10 175.12 2jn3 s GLU 39 N 2.64 3.33 -0.02 2.72 2.12 -0.94 -1.78 118.70 126.76 2jn3 s GLU 39 Ca -0.02 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.76 2jn3 s GLU 39 Cb -0.12 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.35 2jn3 s GLU 39 CO -0.13 0.57 0.02 0.42 -0.54 0.00 0.00 175.26 175.59 2jn3 s ILE 40 N -1.59 -0.00 -0.52 -3.70 1.01 -1.07 -2.11 121.20 113.22 2jn3 s ILE 40 Ca 0.34 0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.23 2jn3 s ILE 40 Cb -0.12 -0.12 0.23 0.00 0.01 0.00 0.00 42.46 42.46 2jn3 s ILE 40 CO 0.27 0.10 0.58 1.67 0.00 0.00 0.00 174.94 177.56 2jn3 n GLN 41 N 4.14 1.47 -0.87 2.79 7.27 -0.84 -0.50 117.38 130.84 2jn3 n GLN 41 Ca -0.27 -3.92 -0.29 0.00 0.07 0.00 0.00 57.00 52.59 2jn3 n GLN 41 Cb 0.50 -1.79 0.23 0.00 2.41 0.00 0.00 30.24 31.60 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 -1.56 -0.99 -0.08 3.69 0.74 -1.26 -3.85 119.66 116.34 2jn3 s GLN 42 Ca 0.35 0.34 0.03 0.00 0.05 0.00 0.00 55.36 56.13 2jn3 s GLN 42 Cb 0.12 -1.59 0.10 0.00 1.10 0.00 0.00 33.01 32.74 2jn3 s GLN 42 CO -0.09 -3.64 0.71 1.63 -0.55 0.00 0.00 175.29 173.35 2jn3 n LYS 43 N -4.78 0.32 0.00 1.67 5.02 -1.16 -4.97 118.16 114.26 2jn3 n LYS 43 Ca 0.08 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 2jn3 n LYS 43 Cb 0.58 0.32 0.00 0.00 -0.02 0.00 0.00 35.03 35.91 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 -0.37 1.36 0.37 0.72 0.00 -1.26 -4.66 105.19 101.35 2jn3 n GLY 44 Ca -0.10 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.30 2jn3 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jn3 n ASP 45 N 0.00 1.73 -4.71 1.61 5.75 -1.26 -4.99 116.55 114.69 2jn3 n ASP 45 Ca 0.00 -1.37 -0.32 0.00 -0.01 0.00 0.00 54.79 53.10 2jn3 n ASP 45 Cb 0.00 0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 40.10 2jn3 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jn3 s ASP 46 N -0.94 5.22 -0.02 -1.12 -1.08 -1.26 0.68 116.67 118.15 2jn3 s ASP 46 Ca 0.11 -0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.16 2jn3 s ASP 46 Cb 0.08 -1.36 -0.01 0.00 -1.46 0.00 0.00 42.92 40.17 2jn3 s ASP 46 CO 0.15 0.24 -0.16 -0.36 0.52 0.00 0.00 175.17 175.56 2jn3 s PHE 47 N -1.19 1.46 -0.32 -5.34 0.40 -0.07 -3.01 117.98 109.91 2jn3 s PHE 47 Ca 0.23 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2jn3 s PHE 47 Cb -0.12 -0.95 0.09 0.00 0.51 0.00 0.00 43.02 42.56 2jn3 s PHE 47 CO 0.14 -0.04 0.02 0.08 0.70 0.00 0.00 175.22 176.13 2jn3 s VAL 48 N -0.33 2.15 -0.17 -0.44 1.01 -1.25 -2.04 120.40 119.32 2jn3 s VAL 48 Ca 0.05 -2.14 -0.07 0.00 0.00 0.00 0.00 61.98 59.83 2jn3 s VAL 48 Cb -0.07 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2jn3 s VAL 48 CO -0.00 -0.49 0.06 -0.69 0.00 0.00 0.00 175.10 173.97 2jn3 s VAL 49 N 0.99 4.76 -0.25 2.92 1.01 -0.76 -1.98 120.40 127.09 2jn3 s VAL 49 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 2jn3 s VAL 49 Cb -0.19 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.14 2jn3 s VAL 49 CO -0.09 0.47 0.06 -0.89 0.00 0.00 0.00 175.10 174.66 2jn3 s THR 50 N 0.26 0.69 -0.02 3.92 2.01 -0.90 -0.40 115.64 121.20 2jn3 s THR 50 Ca 0.04 -0.95 -0.24 0.00 0.31 0.00 0.00 61.69 60.85 2jn3 s THR 50 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2jn3 s THR 50 CO 0.00 -0.42 0.72 -0.44 -0.69 0.00 0.00 174.62 173.79 2jn3 s SER 51 N 1.75 7.07 -0.13 3.53 0.01 -0.03 -2.22 113.70 123.68 2jn3 s SER 51 Ca 0.04 1.28 0.01 0.00 1.31 0.00 0.00 55.95 58.59 2jn3 s SER 51 Cb -0.17 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.65 2jn3 s SER 51 CO -0.17 -0.05 -0.15 -0.54 0.41 0.00 0.00 173.24 172.74 2jn3 s LYS 52 N 0.42 2.28 0.39 12.44 1.02 -1.17 -0.41 119.74 134.71 2jn3 s LYS 52 Ca 0.38 -0.57 0.08 0.00 0.02 0.00 0.00 55.97 55.87 2jn3 s LYS 52 Cb -0.19 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2jn3 s LYS 52 CO 0.20 -0.14 0.26 0.95 -0.92 0.00 0.00 175.35 175.70 2jn3 s THR 53 N 1.21 2.79 -1.40 2.17 -4.23 0.29 -2.61 115.64 113.85 2jn3 s THR 53 Ca -0.01 -1.51 0.20 0.00 -1.18 0.00 0.00 61.69 59.18 2jn3 s THR 53 Cb -0.14 -3.02 0.33 0.00 1.34 0.00 0.00 72.50 71.01 2jn3 s THR 53 CO -0.06 -0.07 1.62 -0.81 -0.54 0.00 0.00 174.62 174.76 2jn3 n PRO 54 N -1.35 0.26 0.00 3.99 -0.04 -1.26 -3.10 135.00 133.49 2jn3 n PRO 54 Ca 0.00 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2jn3 n PRO 54 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2jn3 n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jn3 n ARG 55 N -1.30 1.60 -3.48 0.54 0.63 -1.26 -5.09 116.66 108.30 2jn3 n ARG 55 Ca 0.09 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.92 2jn3 n ARG 55 Cb 0.16 -0.86 -0.02 0.00 0.45 0.00 0.00 32.46 32.19 2jn3 n ARG 55 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2jn3 s GLN 56 N -1.62 0.96 -0.03 -0.14 -2.07 -1.18 -5.17 119.66 110.42 2jn3 s GLN 56 Ca 0.00 -0.29 0.02 0.00 -1.82 0.00 0.00 55.36 53.27 2jn3 s GLN 56 Cb 0.00 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.38 2jn3 s GLN 56 CO 0.00 -0.41 -0.06 0.95 -1.32 0.00 0.00 175.29 174.45 2jn3 s THR 57 N -3.06 0.60 -0.05 3.63 -4.23 -1.26 0.10 115.64 111.37 2jn3 s THR 57 Ca 0.02 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.34 2jn3 s THR 57 Cb -0.01 -0.57 0.01 0.00 1.34 0.00 0.00 72.50 73.27 2jn3 s THR 57 CO -0.08 0.21 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.40 2jn3 s VAL 58 N 0.49 1.06 -0.05 2.29 1.01 0.45 -4.98 120.40 120.66 2jn3 s VAL 58 Ca -0.07 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2jn3 s VAL 58 Cb -0.10 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2jn3 s VAL 58 CO 0.00 0.33 -0.16 0.28 0.00 0.00 0.00 175.10 175.55 2jn3 s THR 59 N 0.41 2.86 0.06 3.92 -1.32 -1.26 -0.85 115.64 119.45 2jn3 s THR 59 Ca -0.09 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.63 2jn3 s THR 59 Cb -0.13 -2.11 -0.03 0.00 -1.51 0.00 0.00 72.50 68.72 2jn3 s THR 59 CO 0.02 0.58 -0.08 0.20 -2.21 0.00 0.00 174.62 173.13 2jn3 s ASN 60 N -0.57 1.01 -0.03 8.08 0.01 0.46 -4.93 114.94 118.96 2jn3 s ASN 60 Ca 0.08 -0.64 -0.01 0.00 -0.71 0.00 0.00 52.86 51.57 2jn3 s ASN 60 Cb -0.11 0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.61 2jn3 s ASN 60 CO 0.01 -0.24 0.07 -0.55 -1.51 0.00 0.00 177.10 174.88 2jn3 s SER 61 N -1.88 -0.01 0.23 -1.22 0.15 -1.26 -1.83 113.70 107.87 2jn3 s SER 61 Ca -0.05 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.66 2jn3 s SER 61 Cb -0.07 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2jn3 s SER 61 CO -0.00 -0.11 0.33 0.72 1.20 0.00 0.00 173.24 175.37 2jn3 s PHE 62 N 0.85 0.71 0.18 3.44 -0.12 -0.87 -4.69 117.98 117.48 2jn3 s PHE 62 Ca -0.07 -1.01 0.10 0.00 -0.05 0.00 0.00 56.93 55.90 2jn3 s PHE 62 Cb -0.10 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 2jn3 s PHE 62 CO -0.03 -0.84 -0.19 0.99 -0.05 0.00 0.00 175.22 175.10 2jn3 s THR 63 N -4.08 2.67 -0.18 -4.49 2.01 -1.26 -0.89 115.64 109.42 2jn3 s THR 63 Ca 0.30 -1.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.17 2jn3 s THR 63 Cb 0.03 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 2jn3 s THR 63 CO 0.10 -0.09 0.91 -0.76 -0.69 0.00 0.00 174.62 174.09 2jn3 s LEU 64 N -2.67 4.16 0.00 4.42 1.43 0.21 -3.25 118.68 122.99 2jn3 s LEU 64 Ca 0.22 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2jn3 s LEU 64 Cb -0.08 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2jn3 s LEU 64 CO 0.12 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.83 2jn3 n GLY 65 N 3.39 0.38 3.11 -3.19 0.00 -1.07 -4.94 105.19 102.88 2jn3 n GLY 65 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.95 0.70 0.14 1.61 2.20 -1.20 -5.08 119.74 117.15 2jn3 s LYS 66 Ca 0.00 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 2jn3 s LYS 66 Cb 0.00 -0.61 -0.07 0.00 -1.51 0.00 0.00 37.83 35.64 2jn3 s LYS 66 CO 0.00 0.14 1.19 -2.00 -0.36 0.00 0.00 175.35 174.31 2jn3 s GLU 67 N -1.47 4.48 0.05 4.03 -6.30 -1.26 -4.45 118.70 113.78 2jn3 s GLU 67 Ca -0.04 1.81 0.04 0.00 -2.50 0.00 0.00 54.97 54.28 2jn3 s GLU 67 Cb -0.09 -3.29 -0.02 0.00 0.00 0.00 0.00 34.13 30.73 2jn3 s GLU 67 CO 0.01 -0.13 -0.11 0.00 0.02 0.00 0.00 175.26 175.06 2jn3 s ALA 68 N 0.36 0.85 0.14 6.30 0.00 -1.08 -4.90 121.76 123.43 2jn3 s ALA 68 Ca 0.55 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 2jn3 s ALA 68 Cb -0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 2jn3 s ALA 68 CO 0.33 0.09 1.02 0.16 0.00 0.00 0.00 175.76 177.36 2jn3 s ASP 69 N -1.46 7.40 0.02 0.00 -4.77 -1.26 -1.84 116.67 114.77 2jn3 s ASP 69 Ca -0.05 1.92 0.05 0.00 -3.30 0.00 0.00 52.55 51.17 2jn3 s ASP 69 Cb -0.09 -2.59 -0.02 0.00 -1.09 0.00 0.00 42.92 39.13 2jn3 s ASP 69 CO 0.01 -0.13 -0.16 -0.63 0.70 0.00 0.00 175.17 174.96 2jn3 s ILE 70 N -0.10 1.30 -0.03 2.11 -1.09 0.41 -4.65 121.20 119.15 2jn3 s ILE 70 Ca 0.48 -0.94 0.07 0.00 -2.23 0.00 0.00 60.65 58.03 2jn3 s ILE 70 Cb -0.26 -1.13 -0.02 0.00 -1.58 0.00 0.00 42.46 39.47 2jn3 s ILE 70 CO 0.32 0.18 -0.23 0.42 -1.23 0.00 0.00 174.94 174.39 2jn3 s THR 71 N -0.67 2.32 0.33 2.92 -4.23 -1.26 -2.20 115.64 112.84 2jn3 s THR 71 Ca 0.05 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2jn3 s THR 71 Cb -0.07 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 2jn3 s THR 71 CO 0.01 0.58 0.55 0.42 -0.54 0.00 0.00 174.62 175.64 2jn3 s THR 72 N -0.63 5.08 -0.83 3.99 -4.23 -0.38 -4.95 115.64 113.69 2jn3 s THR 72 Ca 0.10 -0.27 0.16 0.00 -1.18 0.00 0.00 61.69 60.50 2jn3 s THR 72 Cb -0.10 -3.81 0.15 0.00 1.34 0.00 0.00 72.50 70.07 2jn3 s THR 72 CO -0.00 -0.48 1.49 0.80 -0.54 0.00 0.00 174.62 175.89 2jn3 n MET 73 N -1.48 0.06 0.10 3.99 1.56 -1.26 -1.93 117.12 118.17 2jn3 n MET 73 Ca -0.04 0.34 0.12 0.00 -0.27 0.00 0.00 57.70 57.85 2jn3 n MET 73 Cb 0.55 -1.62 0.11 0.00 2.15 0.00 0.00 33.22 34.41 2jn3 n MET 73 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 2jn3 h ASP 74 N 0.00 0.00 0.00 6.12 3.04 -2.05 -3.47 116.42 120.06 2jn3 h ASP 74 Ca 0.00 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 2jn3 h ASP 74 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 2jn3 h ASP 74 CO 0.00 0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.85 2jn3 n GLY 75 N 1.24 1.97 3.68 7.15 0.00 -0.81 -5.11 105.19 113.31 2jn3 n GLY 75 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.53 3.42 -0.12 1.61 1.02 -1.25 -4.92 119.74 118.97 2jn3 s LYS 76 Ca 0.00 -0.35 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 2jn3 s LYS 76 Cb 0.00 -2.99 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2jn3 s LYS 76 CO 0.00 0.54 -0.09 -1.59 -0.92 0.00 0.00 175.35 173.30 2jn3 s LYS 77 N -0.42 3.25 0.11 1.68 -2.85 -1.26 -1.25 119.74 119.01 2jn3 s LYS 77 Ca 0.09 -0.60 -0.25 0.00 -1.00 0.00 0.00 55.97 54.21 2jn3 s LYS 77 Cb -0.12 -2.69 0.08 0.00 -2.06 0.00 0.00 37.83 33.03 2jn3 s LYS 77 CO 0.02 0.37 0.76 -0.48 0.10 0.00 0.00 175.35 176.11 2jn3 s LEU 78 N -0.02 -0.42 0.10 2.77 2.34 -0.93 -5.03 118.68 117.48 2jn3 s LEU 78 Ca -0.01 -0.11 0.03 0.00 0.06 0.00 0.00 54.13 54.10 2jn3 s LEU 78 Cb -0.14 2.36 -0.04 0.00 -0.56 0.00 0.00 46.19 47.81 2jn3 s LEU 78 CO 0.03 -0.88 0.10 -0.54 -1.06 0.00 0.00 176.35 174.00 2jn3 s LYS 79 N -3.49 2.91 -0.17 1.48 1.02 -1.26 -0.45 119.74 119.77 2jn3 s LYS 79 Ca 0.05 -0.72 -0.16 0.00 0.02 0.00 0.00 55.97 55.17 2jn3 s LYS 79 Cb -0.02 -2.72 0.05 0.00 -0.52 0.00 0.00 37.83 34.62 2jn3 s LYS 79 CO -0.08 0.55 0.46 0.00 -0.92 0.00 0.00 175.35 175.37 2jn3 s THR 81 N 0.33 5.14 0.70 0.00 -4.23 -1.26 -2.64 115.64 113.68 2jn3 s THR 81 Ca -0.01 -2.55 -0.16 0.00 -1.18 0.00 0.00 61.69 57.79 2jn3 s THR 81 Cb -0.04 -4.21 0.01 0.00 1.34 0.00 0.00 72.50 69.61 2jn3 s THR 81 CO -0.00 -0.99 1.17 0.52 -0.54 0.00 0.00 174.62 174.78 2jn3 n VAL 82 N 3.90 3.63 -3.84 2.29 0.31 -1.26 -4.76 118.33 118.61 2jn3 n VAL 82 Ca 0.11 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 2jn3 n VAL 82 Cb 0.44 -1.30 -0.09 0.00 -0.91 0.00 0.00 33.84 31.99 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 -1.68 0.00 -0.46 3.52 2.46 -1.11 -2.59 115.29 115.43 2jn3 s HIS 83 Ca 0.78 -0.12 -0.10 0.00 0.47 0.00 0.00 55.06 56.08 2jn3 s HIS 83 Cb -0.35 -0.01 0.10 0.00 -0.13 0.00 0.00 32.58 32.19 2jn3 s HIS 83 CO 0.46 -0.38 0.33 -0.51 -2.47 0.00 0.00 174.74 172.17 2jn3 s LEU 84 N -1.71 5.53 -0.12 8.88 1.43 -1.26 -1.46 118.68 129.97 2jn3 s LEU 84 Ca -0.10 -1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 51.30 2jn3 s LEU 84 Cb -0.04 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2jn3 s LEU 84 CO -0.00 -0.65 -0.09 0.00 0.23 0.00 0.00 176.35 175.84 2jn3 s ALA 85 N 1.43 2.81 -1.52 4.21 0.00 -0.04 -4.59 121.76 124.06 2jn3 s ALA 85 Ca 0.04 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 2jn3 s ALA 85 Cb -0.25 -1.31 0.14 0.00 0.00 0.00 0.00 23.12 21.71 2jn3 s ALA 85 CO 0.01 0.32 0.63 -1.71 0.00 0.00 0.00 175.76 175.01 2jn3 n ASN 86 N 3.21 -2.98 -2.56 0.00 5.15 -1.26 0.57 115.26 117.39 2jn3 n ASN 86 Ca -0.18 -0.80 -0.15 0.00 -0.60 0.00 0.00 54.58 52.85 2jn3 n ASN 86 Cb 0.53 -2.48 0.05 0.00 -0.53 0.00 0.00 39.78 37.35 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 -1.21 -0.05 3.08 8.20 0.00 -1.26 -5.02 105.19 108.94 2jn3 n GLY 87 Ca 0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.78 0.22 0.11 1.61 1.02 0.19 -4.84 119.74 112.27 2jn3 s LYS 88 Ca 0.35 0.68 -0.30 0.00 0.02 0.00 0.00 55.97 56.72 2jn3 s LYS 88 Cb -0.15 -0.05 -0.06 0.00 -0.52 0.00 0.00 37.83 37.05 2jn3 s LYS 88 CO 0.48 -0.21 1.14 -1.17 -0.92 0.00 0.00 175.35 174.67 2jn3 s LEU 89 N 1.79 4.42 -0.05 3.17 0.20 -1.18 -0.86 118.68 126.18 2jn3 s LEU 89 Ca -0.05 2.02 -0.01 0.00 0.69 0.00 0.00 54.13 56.78 2jn3 s LEU 89 Cb -0.11 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 42.09 2jn3 s LEU 89 CO -0.09 -0.35 0.02 -0.69 -0.29 0.00 0.00 176.35 174.95 2jn3 s VAL 90 N 0.48 0.14 -0.55 1.68 1.01 -0.53 -1.89 120.40 120.74 2jn3 s VAL 90 Ca 0.54 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.77 2jn3 s VAL 90 Cb -0.29 -0.31 0.14 0.00 0.00 0.00 0.00 36.38 35.92 2jn3 s VAL 90 CO 0.32 0.19 0.30 -0.89 0.00 0.00 0.00 175.10 175.02 2jn3 s THR 91 N 1.67 2.68 0.73 3.92 2.01 0.85 -2.75 115.64 124.75 2jn3 s THR 91 Ca -0.01 -3.45 -0.07 0.00 0.31 0.00 0.00 61.69 58.48 2jn3 s THR 91 Cb -0.13 -2.84 0.08 0.00 0.01 0.00 0.00 72.50 69.62 2jn3 s THR 91 CO -0.03 -0.83 1.04 -1.59 -0.69 0.00 0.00 174.62 172.52 2jn3 s LYS 92 N -0.45 2.00 0.00 4.92 -2.85 -1.26 -1.71 119.74 120.39 2jn3 s LYS 92 Ca 0.18 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 2jn3 s LYS 92 Cb -0.23 -2.16 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 2jn3 s LYS 92 CO -0.02 -1.36 0.00 0.45 0.10 0.00 0.00 175.35 174.51 2jn3 n SER 93 N -2.99 0.00 -1.96 0.03 2.88 -0.83 -4.71 113.62 106.05 2jn3 n SER 93 Ca 0.09 -0.12 -0.22 0.00 -1.33 0.00 0.00 58.87 57.29 2jn3 n SER 93 Cb 0.60 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.20 2jn3 n SER 93 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jn3 n GLU 94 N 0.00 2.46 0.00 -1.46 1.02 -1.26 -4.43 120.64 116.97 2jn3 n GLU 94 Ca 0.00 -3.31 0.00 0.00 -0.02 0.00 0.00 57.16 53.83 2jn3 n GLU 94 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 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 -1.01 0.00 -3.63 3.49 2.85 -1.26 -5.15 118.16 113.45 2jn3 n LYS 95 Ca 0.52 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.73 2jn3 n LYS 95 Cb 1.10 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.42 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 -0.15 0.24 5.58 -0.12 -1.26 -4.65 117.98 117.62 2jn3 s PHE 96 Ca 0.00 0.29 0.11 0.00 -0.05 0.00 0.00 56.93 57.29 2jn3 s PHE 96 Cb 0.00 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 2jn3 s PHE 96 CO 0.00 -0.11 -0.21 0.45 -0.05 0.00 0.00 175.22 175.30 2jn3 s SER 97 N -0.69 3.42 -0.04 1.98 0.15 -0.92 -1.97 113.70 115.63 2jn3 s SER 97 Ca 0.06 -0.97 -0.03 0.00 0.70 0.00 0.00 55.95 55.71 2jn3 s SER 97 Cb -0.02 -0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 2jn3 s SER 97 CO -0.08 0.05 0.10 -2.28 1.20 0.00 0.00 173.24 172.23 2jn3 s HIS 98 N -2.25 -0.10 -0.15 3.44 5.04 -0.69 -2.65 115.29 117.93 2jn3 s HIS 98 Ca 0.26 0.27 -0.07 0.00 -1.54 0.00 0.00 55.06 53.97 2jn3 s HIS 98 Cb -0.06 0.01 0.06 0.00 0.04 0.00 0.00 32.58 32.63 2jn3 s HIS 98 CO 0.12 -0.06 0.35 -1.21 -2.34 0.00 0.00 174.74 171.60 2jn3 s GLU 99 N 0.21 0.30 0.13 2.88 2.02 0.37 -0.10 118.70 124.52 2jn3 s GLU 99 Ca -0.01 0.73 0.06 0.00 0.02 0.00 0.00 54.97 55.77 2jn3 s GLU 99 Cb -0.02 -0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 2jn3 s GLU 99 CO -0.01 -0.18 -0.14 -1.14 0.02 0.00 0.00 175.26 173.81 2jn3 s GLN 100 N 1.56 1.08 -0.05 1.61 0.74 -0.79 0.16 119.66 123.97 2jn3 s GLN 100 Ca -0.08 -1.30 -0.22 0.00 0.05 0.00 0.00 55.36 53.81 2jn3 s GLN 100 Cb -0.10 -0.97 0.05 0.00 1.10 0.00 0.00 33.01 33.09 2jn3 s GLN 100 CO -0.11 0.18 0.50 -1.21 -0.55 0.00 0.00 175.29 174.10 2jn3 s GLU 101 N -2.80 0.84 -0.06 1.67 8.01 -0.27 -3.11 118.70 122.98 2jn3 s GLU 101 Ca 0.11 0.11 0.04 0.00 0.01 0.00 0.00 54.97 55.24 2jn3 s GLU 101 Cb -0.04 0.39 -0.02 0.00 -4.31 0.00 0.00 34.13 30.15 2jn3 s GLU 101 CO 0.04 -0.24 -0.18 0.54 0.01 0.00 0.00 175.26 175.43 2jn3 s VAL 102 N -1.09 2.71 -0.36 2.63 0.11 -1.26 -0.85 120.40 122.28 2jn3 s VAL 102 Ca -0.11 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 2jn3 s VAL 102 Cb -0.03 -2.05 0.12 0.00 -1.53 0.00 0.00 36.38 32.89 2jn3 s VAL 102 CO 0.06 0.57 0.16 -0.54 -3.33 0.00 0.00 175.10 172.02 2jn3 s LYS 103 N -0.38 0.91 3.60 1.54 1.02 -0.15 -4.71 119.74 121.58 2jn3 s LYS 103 Ca 0.04 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2jn3 s LYS 103 Cb -0.12 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2jn3 s LYS 103 CO 0.02 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 173.79 2jn3 n GLY 104 N 4.31 1.97 0.04 -3.33 0.00 -1.26 -2.83 105.19 104.09 2jn3 n GLY 104 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 6.82 1.43 -4.47 1.61 5.03 -1.26 -4.86 115.26 119.55 2jn3 n ASN 105 Ca 0.00 -1.91 -0.26 0.00 0.87 0.00 0.00 54.58 53.28 2jn3 n ASN 105 Cb 0.00 -0.07 -0.11 0.00 -1.02 0.00 0.00 39.78 38.58 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2jn3 s GLU 106 N -0.96 1.69 -0.00 3.52 2.02 -1.13 -2.11 118.70 121.73 2jn3 s GLU 106 Ca 0.05 -1.54 0.05 0.00 0.02 0.00 0.00 54.97 53.54 2jn3 s GLU 106 Cb 0.04 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 2jn3 s GLU 106 CO 0.00 0.39 -0.14 -1.64 0.02 0.00 0.00 175.26 173.89 2jn3 s MET 107 N -2.97 1.14 -0.09 1.61 -1.94 0.49 -0.97 119.30 116.56 2jn3 s MET 107 Ca 0.24 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.68 2jn3 s MET 107 Cb -0.07 -1.11 0.02 0.00 2.01 0.00 0.00 34.83 35.68 2jn3 s MET 107 CO 0.13 0.30 -0.12 0.08 -0.01 0.00 0.00 175.02 175.40 2jn3 s VAL 108 N -0.41 1.24 -0.10 -6.03 1.01 -0.03 0.18 120.40 116.25 2jn3 s VAL 108 Ca 0.05 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2jn3 s VAL 108 Cb -0.06 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2jn3 s VAL 108 CO -0.00 0.39 -0.15 -1.61 0.00 0.00 0.00 175.10 173.73 2jn3 s GLU 109 N 1.06 3.11 -0.15 2.72 2.02 0.37 -1.11 118.70 126.72 2jn3 s GLU 109 Ca -0.06 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.23 2jn3 s GLU 109 Cb -0.15 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.58 2jn3 s GLU 109 CO -0.01 0.32 -0.19 0.99 0.02 0.00 0.00 175.26 176.38 2jn3 s THR 110 N 0.06 1.91 -0.04 3.63 2.01 0.42 0.05 115.64 123.68 2jn3 s THR 110 Ca -0.06 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.10 2jn3 s THR 110 Cb -0.15 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.65 2jn3 s THR 110 CO 0.05 0.52 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.75 2jn3 s ILE 111 N 1.09 1.04 -0.08 1.82 1.01 -0.64 -0.48 121.20 124.96 2jn3 s ILE 111 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.18 2jn3 s ILE 111 Cb -0.14 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2jn3 s ILE 111 CO -0.07 0.32 -0.13 0.42 0.00 0.00 0.00 174.94 175.48 2jn3 s THR 112 N 0.30 3.09 -0.26 2.92 -4.23 -1.08 0.39 115.64 116.77 2jn3 s THR 112 Ca -0.07 -0.69 -0.10 0.00 -1.18 0.00 0.00 61.69 59.65 2jn3 s THR 112 Cb -0.11 -2.24 0.10 0.00 1.34 0.00 0.00 72.50 71.59 2jn3 s THR 112 CO 0.02 0.57 0.58 0.12 -0.54 0.00 0.00 174.62 175.37 2jn3 s PHE 113 N -0.36 -1.10 -0.64 3.99 2.19 0.23 -2.16 117.98 120.14 2jn3 s PHE 113 Ca 0.04 2.01 -0.02 0.00 0.33 0.00 0.00 56.93 59.29 2jn3 s PHE 113 Cb -0.12 0.61 0.00 0.00 -1.31 0.00 0.00 43.02 42.20 2jn3 s PHE 113 CO 0.02 -0.57 0.30 0.41 1.83 0.00 0.00 175.22 177.22 2jn3 n GLY 114 N 5.12 0.20 3.18 13.12 0.00 -1.26 -2.23 105.19 123.32 2jn3 n GLY 114 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.09 0.58 3.71 -0.02 0.00 -1.26 -4.98 105.19 102.13 2jn3 n GLY 115 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.68 4.35 -0.10 1.61 1.01 -0.94 -5.11 120.40 118.54 2jn3 s VAL 116 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2jn3 s VAL 116 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2jn3 s VAL 116 CO 0.00 0.44 -0.22 -0.89 0.00 0.00 0.00 175.10 174.43 2jn3 s THR 117 N -1.05 1.90 0.01 3.92 2.01 -1.26 0.78 115.64 121.95 2jn3 s THR 117 Ca 0.18 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2jn3 s THR 117 Cb -0.12 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2jn3 s THR 117 CO 0.09 0.52 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.31 2jn3 s LEU 118 N 0.45 3.46 -0.32 4.42 2.96 0.16 -4.89 118.68 124.92 2jn3 s LEU 118 Ca -0.17 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2jn3 s LEU 118 Cb -0.17 -2.00 0.09 0.00 0.50 0.00 0.00 46.19 44.60 2jn3 s LEU 118 CO 0.07 0.27 0.02 -0.63 -1.32 0.00 0.00 176.35 174.76 2jn3 s ILE 119 N -1.09 2.39 -0.34 6.68 1.01 -1.26 -1.61 121.20 126.98 2jn3 s ILE 119 Ca 0.20 -2.07 -0.11 0.00 0.00 0.00 0.00 60.65 58.66 2jn3 s ILE 119 Cb -0.11 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 2jn3 s ILE 119 CO 0.10 -0.42 0.20 -0.60 0.00 0.00 0.00 174.94 174.22 2jn3 s ARG 120 N 1.00 3.27 -0.13 2.79 3.00 0.11 -3.86 118.95 125.13 2jn3 s ARG 120 Ca 0.04 -0.78 -0.06 0.00 -1.00 0.00 0.00 55.73 53.93 2jn3 s ARG 120 Cb -0.20 -3.70 -0.04 0.00 0.00 0.00 0.00 34.95 31.01 2jn3 s ARG 120 CO -0.06 -0.50 0.10 -0.98 0.00 0.00 0.00 175.30 173.85 2jn3 s ARG 121 N 1.64 3.46 0.24 5.12 1.70 -1.14 0.14 118.95 130.12 2jn3 s ARG 121 Ca 0.05 -0.23 0.08 0.00 -0.47 0.00 0.00 55.73 55.16 2jn3 s ARG 121 Cb -0.18 -3.12 -0.05 0.00 -0.57 0.00 0.00 34.95 31.03 2jn3 s ARG 121 CO 0.08 0.66 -0.12 -1.12 -1.08 0.00 0.00 175.30 173.72 2jn3 s SER 122 N -0.71 2.76 0.16 -2.89 0.01 0.47 0.68 113.70 114.17 2jn3 s SER 122 Ca 0.13 -1.09 0.06 0.00 1.31 0.00 0.00 55.95 56.36 2jn3 s SER 122 Cb -0.12 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 2jn3 s SER 122 CO 0.03 -0.21 -0.14 -0.75 0.41 0.00 0.00 173.24 172.57 2jn3 s LYS 123 N -3.66 1.15 -0.01 12.44 2.20 0.36 0.18 119.74 132.40 2jn3 s LYS 123 Ca 0.26 -1.41 -0.19 0.00 -0.36 0.00 0.00 55.97 54.27 2jn3 s LYS 123 Cb 0.01 -0.95 -0.05 0.00 -1.51 0.00 0.00 37.83 35.32 2jn3 s LYS 123 CO 0.10 0.16 0.55 0.50 -0.36 0.00 0.00 175.35 176.30 2jn3 s ARG 124 N -3.22 4.25 0.00 4.03 3.52 -0.90 0.30 118.95 126.93 2jn3 s ARG 124 Ca 0.15 0.65 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 2jn3 s ARG 124 Cb -0.02 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 2jn3 s ARG 124 CO 0.04 0.41 0.33 1.33 -0.81 0.00 0.00 175.30 176.60