#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 0.00 -3.93 0.00 0.04 -1.96 -3.46 116.94 107.64 2jn3 h PHE 2 Ca 0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 2jn3 h PHE 2 Cb 0.00 0.00 0.15 0.00 2.20 0.00 0.00 35.95 38.30 2jn3 h PHE 2 CO 0.00 0.88 0.47 0.45 -0.60 0.00 0.00 178.31 179.51 2jn3 n SER 3 N -3.44 2.07 0.00 2.17 2.88 -1.26 -4.54 113.62 111.50 2jn3 n SER 3 Ca -0.00 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 2jn3 n SER 3 Cb 0.86 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2jn3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jn3 n GLY 4 N 0.93 2.75 3.83 0.46 0.00 0.67 -4.90 105.19 108.94 2jn3 n GLY 4 Ca 0.13 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.62 4.48 -0.02 2.61 2.01 -1.26 -2.48 115.64 118.36 2jn3 s THR 5 Ca 0.00 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.32 2jn3 s THR 5 Cb 0.00 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.87 2jn3 s THR 5 CO 0.00 -0.50 0.01 0.26 -0.69 0.00 0.00 174.62 173.71 2jn3 s TRP 6 N -2.39 0.12 -0.24 4.92 0.52 -1.10 -1.75 118.94 119.02 2jn3 s TRP 6 Ca 0.60 0.05 -0.12 0.00 0.02 0.00 0.00 56.10 56.66 2jn3 s TRP 6 Cb -0.09 -0.23 -0.05 0.00 -1.15 0.00 0.00 33.47 31.95 2jn3 s TRP 6 CO 0.22 -0.07 0.22 -1.14 0.02 0.00 0.00 176.95 176.20 2jn3 s GLN 7 N 0.74 4.08 -0.12 4.98 0.74 2.11 -2.89 119.66 129.30 2jn3 s GLN 7 Ca -0.07 -0.17 -0.40 0.00 0.05 0.00 0.00 55.36 54.78 2jn3 s GLN 7 Cb -0.09 -3.55 -0.18 0.00 1.10 0.00 0.00 33.01 30.29 2jn3 s GLN 7 CO -0.02 0.02 1.39 0.28 -0.55 0.00 0.00 175.29 176.41 2jn3 n VAL 8 N 4.36 0.06 -0.03 1.34 0.31 -1.26 0.23 118.33 123.35 2jn3 n VAL 8 Ca -0.13 -0.01 -0.02 0.00 -0.01 0.00 0.00 64.34 64.17 2jn3 n VAL 8 Cb 0.52 -0.61 -0.01 0.00 -0.91 0.00 0.00 33.84 32.83 2jn3 n VAL 8 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 2jn3 h TYR 9 N 4.73 0.00 -3.33 3.52 0.05 0.78 -3.43 116.97 119.30 2jn3 h TYR 9 Ca -0.48 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.27 2jn3 h TYR 9 Cb 1.37 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.99 2jn3 h TYR 9 CO 0.64 0.00 -0.00 0.00 -1.05 0.00 0.00 178.16 177.75 2jn3 s ALA 10 N -2.88 -0.94 -0.28 3.88 0.00 -1.10 -4.97 121.76 115.47 2jn3 s ALA 10 Ca -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 2jn3 s ALA 10 Cb 0.01 0.81 0.09 0.00 0.00 0.00 0.00 23.12 24.03 2jn3 s ALA 10 CO 0.07 -0.75 0.11 1.14 0.00 0.00 0.00 175.76 176.33 2jn3 s GLN 11 N -3.85 0.41 0.07 0.00 -2.07 -1.26 -2.25 119.66 110.70 2jn3 s GLN 11 Ca 0.07 -0.68 -0.22 0.00 -1.82 0.00 0.00 55.36 52.71 2jn3 s GLN 11 Cb -0.00 -1.59 -0.06 0.00 -1.09 0.00 0.00 33.01 30.27 2jn3 s GLN 11 CO -0.06 -0.95 0.66 -2.00 -1.32 0.00 0.00 175.29 171.63 2jn3 s GLU 12 N 1.91 4.38 0.00 9.60 2.12 -1.25 -3.64 118.70 131.81 2jn3 s GLU 12 Ca 0.08 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.31 2jn3 s GLU 12 Cb -0.17 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.93 2jn3 s GLU 12 CO -0.28 0.47 0.00 0.09 -0.54 0.00 0.00 175.26 175.00 2jn3 n ASN 13 N 2.20 0.00 -0.14 -1.70 3.02 -1.26 -4.22 115.26 113.15 2jn3 n ASN 13 Ca -0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.45 2jn3 n ASN 13 Cb 0.50 -1.70 -0.03 0.00 -0.61 0.00 0.00 39.78 37.94 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jn3 n TYR 14 N -2.00 -0.15 -0.18 3.10 9.36 -1.24 0.12 117.16 126.17 2jn3 n TYR 14 Ca 0.00 0.43 -0.03 0.00 3.32 0.00 0.00 57.90 61.62 2jn3 n TYR 14 Cb 0.00 -0.44 0.04 0.00 -0.63 0.00 0.00 39.34 38.30 2jn3 n TYR 14 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 2jn3 h GLU 15 N 0.00 -0.06 0.43 2.98 4.11 -1.88 0.68 114.58 120.84 2jn3 h GLU 15 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 2jn3 h GLU 15 Cb 0.14 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jn3 h GLU 15 CO -0.32 -0.04 -0.46 0.93 0.07 0.00 0.00 179.01 179.19 2jn3 h GLU 16 N -0.06 -0.86 -0.21 1.06 5.08 0.55 0.39 114.58 120.53 2jn3 h GLU 16 Ca 0.26 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.73 2jn3 h GLU 16 Cb 0.45 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 2jn3 h GLU 16 CO -0.59 -0.57 -0.39 0.35 -1.00 0.00 0.00 179.01 176.81 2jn3 h PHE 17 N -0.89 -1.10 -0.51 4.33 3.57 -0.35 -1.28 116.94 120.71 2jn3 h PHE 17 Ca -0.05 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2jn3 h PHE 17 Cb 0.78 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 39.97 2jn3 h PHE 17 CO -0.25 -0.44 0.16 -0.07 -2.23 0.00 0.00 178.31 175.48 2jn3 h LEU 18 N -0.41 0.13 -0.96 0.59 3.38 -0.69 -1.14 115.31 116.21 2jn3 h LEU 18 Ca 0.10 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.40 2jn3 h LEU 18 Cb 0.59 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.28 2jn3 h LEU 18 CO -0.44 0.10 0.49 0.11 0.09 0.00 0.00 178.44 178.79 2jn3 h LYS 19 N 0.32 0.40 0.00 1.13 1.57 0.95 1.02 116.57 121.95 2jn3 h LYS 19 Ca 0.25 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2jn3 h LYS 19 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2jn3 h LYS 19 CO -0.28 0.26 -0.22 0.00 -0.57 0.00 0.00 179.45 178.65 2jn3 h ALA 20 N 1.77 1.26 0.00 3.86 0.00 -0.77 -2.25 119.26 123.13 2jn3 h ALA 20 Ca 0.64 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 2jn3 h ALA 20 Cb 1.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2jn3 h ALA 20 CO -0.55 0.27 -0.00 1.25 0.00 0.00 0.00 179.25 180.21 2jn3 h LEU 21 N 0.00 0.00 0.09 0.00 5.85 0.12 -3.45 115.31 117.92 2jn3 h LEU 21 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2jn3 h LEU 21 Cb 0.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2jn3 h LEU 21 CO 0.03 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 178.10 2jn3 n ALA 22 N -2.09 -0.04 -1.71 1.25 0.00 -0.85 -5.04 120.51 112.04 2jn3 n ALA 22 Ca -0.02 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 2jn3 n ALA 22 Cb 0.15 -0.61 0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.42 2.49 0.30 0.00 1.43 -1.26 -5.01 118.68 116.21 2jn3 s LEU 23 Ca 0.00 1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.87 2jn3 s LEU 23 Cb -0.00 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 2jn3 s LEU 23 CO 0.00 -1.96 1.13 -2.16 0.23 0.00 0.00 176.35 173.59 2jn3 s PRO 24 N -5.33 4.56 0.32 1.29 0.04 -1.26 -4.94 135.00 129.68 2jn3 s PRO 24 Ca 0.61 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.52 2jn3 s PRO 24 Cb -0.13 -3.13 0.54 0.00 0.04 0.00 0.00 34.50 31.82 2jn3 s PRO 24 CO 0.52 0.12 1.94 1.49 0.04 0.00 0.00 177.00 181.11 2jn3 h GLU 25 N 3.67 0.84 -0.08 4.56 4.57 -1.99 -1.48 114.58 124.66 2jn3 h GLU 25 Ca -0.47 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 57.64 2jn3 h GLU 25 Cb 1.21 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2jn3 h GLU 25 CO 0.66 0.63 0.06 -0.44 -1.18 0.00 0.00 179.01 178.74 2jn3 h ASP 26 N 0.84 0.01 0.99 1.04 3.32 -2.00 -0.93 116.42 119.69 2jn3 h ASP 26 Ca 0.21 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 2jn3 h ASP 26 Cb 0.05 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2jn3 h ASP 26 CO -0.03 0.00 -1.03 0.25 -1.72 0.00 0.00 179.24 176.71 2jn3 h LEU 27 N 0.01 0.00 0.16 1.55 5.85 -1.69 -3.19 115.31 118.00 2jn3 h LEU 27 Ca 0.04 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.48 2jn3 h LEU 27 Cb 0.15 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.21 2jn3 h LEU 27 CO -0.00 0.12 -1.18 0.40 -0.34 0.00 0.00 178.44 177.44 2jn3 h ILE 28 N 0.00 1.34 0.00 4.05 2.04 -0.40 -1.55 117.51 122.99 2jn3 h ILE 28 Ca -0.03 -2.51 -0.07 0.00 1.00 0.00 0.00 64.86 63.25 2jn3 h ILE 28 Cb 1.12 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 40.08 2jn3 h ILE 28 CO 0.01 0.75 -0.31 0.11 0.00 0.00 0.00 178.15 178.71 2jn3 h LYS 29 N 0.08 0.00 0.00 2.37 1.57 -1.39 0.87 116.57 120.08 2jn3 h LYS 29 Ca -0.19 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.32 2jn3 h LYS 29 Cb 1.89 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.16 2jn3 h LYS 29 CO 0.22 0.31 -1.53 1.98 -0.57 0.00 0.00 179.45 179.86 2jn3 h MET 30 N 0.00 0.00 -0.46 3.15 4.05 -1.60 -3.34 114.93 116.73 2jn3 h MET 30 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2jn3 h MET 30 Cb 1.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 2jn3 h MET 30 CO 0.04 0.59 0.00 0.00 0.23 0.00 0.00 176.91 177.77 2jn3 n ALA 31 N -2.50 2.31 0.49 0.39 0.00 -0.58 -4.42 120.51 116.19 2jn3 n ALA 31 Ca -0.13 -1.13 0.06 0.00 0.00 0.00 0.00 53.44 52.24 2jn3 n ALA 31 Cb 1.02 -0.67 0.27 0.00 0.00 0.00 0.00 19.45 20.08 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 1.07 0.09 -3.03 0.00 1.85 0.30 -3.48 116.66 113.46 2jn3 n ARG 32 Ca 0.17 0.23 -0.15 0.00 -1.00 0.00 0.00 57.85 57.10 2jn3 n ARG 32 Cb 0.51 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.43 2jn3 n ARG 32 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2jn3 n ASP 33 N -1.38 -0.23 -3.85 2.89 -0.08 -1.26 -5.01 116.55 107.62 2jn3 n ASP 33 Ca 0.04 -3.24 -0.29 0.00 -1.51 0.00 0.00 54.79 49.80 2jn3 n ASP 33 Cb 0.11 0.24 -0.16 0.00 2.34 0.00 0.00 41.12 43.65 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 -1.53 1.08 -1.21 5.18 1.01 -1.23 -5.05 121.20 119.45 2jn3 s ILE 34 Ca 0.34 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 2jn3 s ILE 34 Cb 0.33 -1.43 0.16 0.00 0.01 0.00 0.00 42.46 41.53 2jn3 s ILE 34 CO -0.07 -0.12 1.46 -0.54 0.00 0.00 0.00 174.94 175.67 2jn3 s LYS 35 N 1.61 4.07 0.31 2.79 3.01 -1.26 -4.99 119.74 125.27 2jn3 s LYS 35 Ca -0.03 -2.50 -0.29 0.00 -1.01 0.00 0.00 55.97 52.15 2jn3 s LYS 35 Cb -0.18 -5.11 -0.10 0.00 -1.01 0.00 0.00 37.83 31.43 2jn3 s LYS 35 CO -0.07 -1.82 1.13 -1.25 0.51 0.00 0.00 175.35 173.85 2jn3 s PRO 36 N 1.90 4.52 0.57 -1.68 0.04 -1.26 -4.72 135.00 134.37 2jn3 s PRO 36 Ca 0.44 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 63.28 2jn3 s PRO 36 Cb -0.02 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.45 2jn3 s PRO 36 CO 0.01 0.09 0.86 0.42 0.04 0.00 0.00 177.00 178.42 2jn3 s ILE 37 N -1.22 3.55 -0.11 0.56 1.01 -1.12 -4.18 121.20 119.69 2jn3 s ILE 37 Ca 0.47 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 2jn3 s ILE 37 Cb -0.32 -3.40 0.05 0.00 0.01 0.00 0.00 42.46 38.81 2jn3 s ILE 37 CO 0.41 -0.38 0.15 -0.69 0.00 0.00 0.00 174.94 174.43 2jn3 s VAL 38 N -2.92 -0.22 0.03 2.92 1.01 -1.14 -2.15 120.40 117.93 2jn3 s VAL 38 Ca 0.54 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 2jn3 s VAL 38 Cb -0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.83 2jn3 s VAL 38 CO 0.43 0.02 0.46 -0.70 0.00 0.00 0.00 175.10 175.31 2jn3 s GLU 39 N 2.26 3.98 -0.08 2.72 2.12 -0.90 -2.73 118.70 126.07 2jn3 s GLU 39 Ca 0.04 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.87 2jn3 s GLU 39 Cb -0.13 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.08 2jn3 s GLU 39 CO -0.07 0.65 -0.14 0.42 -0.54 0.00 0.00 175.26 175.58 2jn3 s ILE 40 N -1.14 1.33 -0.50 -3.70 1.01 -1.03 -1.83 121.20 115.32 2jn3 s ILE 40 Ca 0.27 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.41 2jn3 s ILE 40 Cb -0.17 -1.20 0.28 0.00 0.01 0.00 0.00 42.46 41.39 2jn3 s ILE 40 CO 0.15 0.40 0.71 1.67 0.00 0.00 0.00 174.94 177.88 2jn3 n GLN 41 N 3.83 1.83 -0.75 2.79 7.27 -0.87 -0.24 117.38 131.25 2jn3 n GLN 41 Ca -0.22 -4.04 -0.28 0.00 0.07 0.00 0.00 57.00 52.53 2jn3 n GLN 41 Cb 0.52 -1.84 0.22 0.00 2.41 0.00 0.00 30.24 31.56 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 -2.26 -0.43 -0.28 3.69 0.74 -1.26 -4.09 119.66 115.77 2jn3 s GLN 42 Ca 0.40 0.76 0.07 0.00 0.05 0.00 0.00 55.36 56.64 2jn3 s GLN 42 Cb 0.22 -1.62 0.24 0.00 1.10 0.00 0.00 33.01 32.95 2jn3 s GLN 42 CO -0.08 -3.37 1.18 1.63 -0.55 0.00 0.00 175.29 174.10 2jn3 n LYS 43 N -4.66 0.79 0.00 1.67 5.02 -1.16 -4.98 118.16 114.83 2jn3 n LYS 43 Ca 0.04 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 2jn3 n LYS 43 Cb 0.55 0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 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 -0.76 1.47 0.39 0.72 0.00 -1.26 -4.56 105.19 101.19 2jn3 n GLY 44 Ca -0.13 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.89 1.61 8.00 -1.26 -4.98 116.55 116.72 2jn3 n ASP 45 Ca 0.00 -1.34 -0.31 0.00 0.71 0.00 0.00 54.79 53.85 2jn3 n ASP 45 Cb 0.00 0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 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 -1.49 6.15 -0.03 -2.24 -1.08 -1.26 -0.55 116.67 116.17 2jn3 s ASP 46 Ca 0.13 0.19 0.02 0.00 -0.52 0.00 0.00 52.55 52.37 2jn3 s ASP 46 Cb 0.11 -1.84 0.01 0.00 -1.46 0.00 0.00 42.92 39.74 2jn3 s ASP 46 CO 0.28 0.16 -0.07 -0.36 0.52 0.00 0.00 175.17 175.70 2jn3 s PHE 47 N -1.50 0.84 -0.26 -5.34 0.40 -0.70 -3.00 117.98 108.42 2jn3 s PHE 47 Ca 0.34 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2jn3 s PHE 47 Cb -0.13 -0.64 0.06 0.00 0.51 0.00 0.00 43.02 42.83 2jn3 s PHE 47 CO 0.27 -0.12 -0.09 0.08 0.70 0.00 0.00 175.22 176.06 2jn3 s VAL 48 N 0.38 2.05 -0.14 -0.44 1.01 -1.26 -2.29 120.40 119.71 2jn3 s VAL 48 Ca -0.05 -1.60 -0.02 0.00 0.00 0.00 0.00 61.98 60.31 2jn3 s VAL 48 Cb -0.10 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2jn3 s VAL 48 CO 0.00 -0.07 -0.08 -0.69 0.00 0.00 0.00 175.10 174.26 2jn3 s VAL 49 N 1.15 3.50 -0.26 2.92 1.01 -0.84 -2.06 120.40 125.82 2jn3 s VAL 49 Ca -0.07 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2jn3 s VAL 49 Cb -0.20 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.75 2jn3 s VAL 49 CO -0.05 0.51 -0.01 -0.89 0.00 0.00 0.00 175.10 174.65 2jn3 s THR 50 N 0.37 1.51 0.03 3.92 2.01 -0.76 -1.06 115.64 121.65 2jn3 s THR 50 Ca -0.07 -1.41 -0.21 0.00 0.31 0.00 0.00 61.69 60.32 2jn3 s THR 50 Cb -0.15 -1.89 -0.06 0.00 0.01 0.00 0.00 72.50 70.41 2jn3 s THR 50 CO 0.04 -0.27 0.60 -0.44 -0.69 0.00 0.00 174.62 173.86 2jn3 s SER 51 N 1.37 7.02 -0.14 3.53 0.01 -0.27 -2.12 113.70 123.10 2jn3 s SER 51 Ca -0.01 1.22 -0.01 0.00 1.31 0.00 0.00 55.95 58.47 2jn3 s SER 51 Cb -0.19 -2.37 0.03 0.00 0.21 0.00 0.00 66.02 63.71 2jn3 s SER 51 CO -0.10 0.15 -0.06 -0.54 0.41 0.00 0.00 173.24 173.11 2jn3 s LYS 52 N -0.48 1.42 0.39 12.44 1.02 -0.91 -0.83 119.74 132.79 2jn3 s LYS 52 Ca 0.31 -0.37 0.07 0.00 0.02 0.00 0.00 55.97 56.01 2jn3 s LYS 52 Cb -0.19 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 2jn3 s LYS 52 CO 0.18 -0.35 0.46 0.99 -0.92 0.00 0.00 175.35 175.71 2jn3 s THR 53 N 1.69 3.27 0.20 2.17 2.01 0.27 -2.78 115.64 122.47 2jn3 s THR 53 Ca 0.03 -1.13 0.14 0.00 0.31 0.00 0.00 61.69 61.04 2jn3 s THR 53 Cb -0.14 -3.13 0.04 0.00 0.01 0.00 0.00 72.50 69.28 2jn3 s THR 53 CO -0.08 -0.06 1.64 1.55 -0.69 0.00 0.00 174.62 176.98 2jn3 h PRO 54 N 0.87 0.00 0.00 4.92 0.13 -1.97 -3.20 132.00 132.76 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jn3 h PRO 54 CO 0.51 0.52 -1.86 -2.13 -0.23 0.00 0.00 178.00 174.82 2jn3 n ARG 55 N -3.63 0.62 -3.48 0.86 0.00 -1.26 -5.01 116.66 104.76 2jn3 n ARG 55 Ca -0.01 -0.16 -0.10 0.00 -0.00 0.00 0.00 57.85 57.58 2jn3 n ARG 55 Cb 0.59 -1.54 -0.02 0.00 0.00 0.00 0.00 32.46 31.49 2jn3 n ARG 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2jn3 s GLN 56 N -3.48 1.04 -0.08 -0.14 -2.07 -1.21 -5.16 119.66 108.56 2jn3 s GLN 56 Ca -0.06 -0.39 0.02 0.00 -1.82 0.00 0.00 55.36 53.10 2jn3 s GLN 56 Cb 0.14 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.54 2jn3 s GLN 56 CO 0.90 -0.45 -0.11 0.95 -1.32 0.00 0.00 175.29 175.25 2jn3 s THR 57 N -3.40 1.11 -0.11 3.63 -4.23 -1.26 0.98 115.64 112.35 2jn3 s THR 57 Ca 0.04 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 2jn3 s THR 57 Cb -0.01 -1.04 0.02 0.00 1.34 0.00 0.00 72.50 72.81 2jn3 s THR 57 CO -0.10 0.36 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.50 2jn3 s VAL 58 N 0.89 1.44 0.01 2.29 1.01 -0.01 -4.94 120.40 121.09 2jn3 s VAL 58 Ca -0.10 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2jn3 s VAL 58 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2jn3 s VAL 58 CO 0.01 0.43 -0.05 -0.89 0.00 0.00 0.00 175.10 174.60 2jn3 s THR 59 N 1.11 3.77 0.01 3.92 2.01 -1.26 -1.12 115.64 124.08 2jn3 s THR 59 Ca -0.04 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 2jn3 s THR 59 Cb -0.14 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 2jn3 s THR 59 CO -0.03 0.38 0.02 0.20 -0.69 0.00 0.00 174.62 174.50 2jn3 s ASN 60 N -1.49 0.13 -0.01 3.53 0.01 -0.22 -4.87 114.94 112.02 2jn3 s ASN 60 Ca 0.18 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 2jn3 s ASN 60 Cb -0.11 0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.68 2jn3 s ASN 60 CO 0.08 -0.25 0.00 -0.44 -1.51 0.00 0.00 177.10 174.99 2jn3 s SER 61 N -1.11 0.18 0.24 -1.22 0.01 -1.26 -1.98 113.70 108.56 2jn3 s SER 61 Ca -0.12 -0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 2jn3 s SER 61 Cb -0.07 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2jn3 s SER 61 CO -0.00 -0.05 0.37 0.72 0.41 0.00 0.00 173.24 174.69 2jn3 s PHE 62 N 0.50 0.69 0.05 2.43 -0.12 -0.97 -4.68 117.98 115.89 2jn3 s PHE 62 Ca -0.04 -0.99 0.09 0.00 -0.05 0.00 0.00 56.93 55.93 2jn3 s PHE 62 Cb -0.07 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 2jn3 s PHE 62 CO -0.01 -0.90 -0.23 0.99 -0.05 0.00 0.00 175.22 175.01 2jn3 s THR 63 N -3.95 2.41 -0.09 -4.49 2.01 -1.26 -1.72 115.64 108.54 2jn3 s THR 63 Ca 0.29 -1.36 -0.30 0.00 0.31 0.00 0.00 61.69 60.63 2jn3 s THR 63 Cb 0.02 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 2jn3 s THR 63 CO 0.11 0.32 1.14 -0.76 -0.69 0.00 0.00 174.62 174.74 2jn3 s LEU 64 N -1.42 4.25 0.00 4.42 1.43 0.28 -2.87 118.68 124.77 2jn3 s LEU 64 Ca 0.13 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 2jn3 s LEU 64 Cb -0.10 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2jn3 s LEU 64 CO 0.04 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.66 2jn3 n GLY 65 N 3.30 0.37 3.08 -3.19 0.00 -1.09 -4.89 105.19 102.78 2jn3 n GLY 65 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.94 0.62 0.05 1.61 2.20 -1.14 -5.09 119.74 117.05 2jn3 s LYS 66 Ca 0.00 -0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 54.56 2jn3 s LYS 66 Cb 0.00 -0.48 -0.06 0.00 -1.51 0.00 0.00 37.83 35.78 2jn3 s LYS 66 CO 0.00 0.10 1.28 -2.00 -0.36 0.00 0.00 175.35 174.37 2jn3 s GLU 67 N -1.43 4.37 0.09 4.03 2.12 -1.26 -4.50 118.70 122.11 2jn3 s GLU 67 Ca -0.06 1.87 0.06 0.00 0.36 0.00 0.00 54.97 57.20 2jn3 s GLU 67 Cb -0.09 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 2jn3 s GLU 67 CO 0.01 -0.38 -0.16 0.00 -0.54 0.00 0.00 175.26 174.19 2jn3 s ALA 68 N 1.45 1.40 0.06 6.30 0.00 -1.06 -4.91 121.76 125.00 2jn3 s ALA 68 Ca 0.61 -1.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 2jn3 s ALA 68 Cb -0.31 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 2jn3 s ALA 68 CO 0.28 0.21 0.88 -0.51 0.00 0.00 0.00 175.76 176.62 2jn3 s ASP 69 N -1.90 7.35 0.05 0.00 1.01 -1.26 -1.55 116.67 120.37 2jn3 s ASP 69 Ca 0.02 1.62 0.08 0.00 0.71 0.00 0.00 52.55 54.98 2jn3 s ASP 69 Cb -0.09 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2jn3 s ASP 69 CO 0.03 -0.07 -0.22 -0.63 0.21 0.00 0.00 175.17 174.49 2jn3 s ILE 70 N 0.16 1.79 -0.05 0.77 -1.09 0.74 -4.64 121.20 118.88 2jn3 s ILE 70 Ca 0.44 -1.27 0.05 0.00 -2.23 0.00 0.00 60.65 57.64 2jn3 s ILE 70 Cb -0.22 -1.56 -0.01 0.00 -1.58 0.00 0.00 42.46 39.10 2jn3 s ILE 70 CO 0.26 0.23 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.10 2jn3 s THR 71 N -0.82 1.76 0.40 2.92 2.01 -1.26 -2.10 115.64 118.55 2jn3 s THR 71 Ca 0.09 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 2jn3 s THR 71 Cb -0.09 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2jn3 s THR 71 CO 0.02 0.50 0.68 0.42 -0.69 0.00 0.00 174.62 175.55 2jn3 s THR 72 N -0.05 4.96 -0.69 -0.82 -4.23 -0.31 -4.93 115.64 109.57 2jn3 s THR 72 Ca -0.04 0.09 0.18 0.00 -1.18 0.00 0.00 61.69 60.74 2jn3 s THR 72 Cb -0.13 -3.81 0.18 0.00 1.34 0.00 0.00 72.50 70.07 2jn3 s THR 72 CO 0.03 -0.61 1.56 0.23 -0.54 0.00 0.00 174.62 175.29 2jn3 n MET 73 N -1.70 0.10 0.14 3.99 2.81 -1.26 -1.99 117.12 119.21 2jn3 n MET 73 Ca -0.01 0.38 0.09 0.00 -1.81 0.00 0.00 57.70 56.35 2jn3 n MET 73 Cb 0.55 -1.71 0.05 0.00 -0.71 0.00 0.00 33.22 31.40 2jn3 n MET 73 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 2jn3 h ASP 74 N 0.00 0.00 0.00 7.83 3.58 -2.02 -3.47 116.42 122.33 2jn3 h ASP 74 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jn3 h ASP 74 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2jn3 h ASP 74 CO 0.00 0.15 0.00 0.61 -2.88 0.00 0.00 179.24 177.12 2jn3 n GLY 75 N 1.19 1.80 3.80 -0.78 0.00 -0.84 -5.11 105.19 105.25 2jn3 n GLY 75 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.10 3.85 -0.09 1.61 1.02 -1.25 -4.91 119.74 119.87 2jn3 s LYS 76 Ca 0.00 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.94 2jn3 s LYS 76 Cb 0.00 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2jn3 s LYS 76 CO 0.00 0.53 -0.12 0.15 -0.92 0.00 0.00 175.35 175.00 2jn3 s LYS 77 N -0.36 2.99 0.07 1.68 1.02 -1.26 -1.16 119.74 122.72 2jn3 s LYS 77 Ca 0.14 -0.65 -0.26 0.00 0.02 0.00 0.00 55.97 55.22 2jn3 s LYS 77 Cb -0.12 -2.56 0.09 0.00 -0.52 0.00 0.00 37.83 34.71 2jn3 s LYS 77 CO 0.03 0.44 0.79 -0.48 -0.92 0.00 0.00 175.35 175.21 2jn3 s LEU 78 N -0.23 -0.43 0.01 3.17 2.34 -0.89 -5.03 118.68 117.63 2jn3 s LEU 78 Ca 0.02 -0.03 -0.00 0.00 0.06 0.00 0.00 54.13 54.17 2jn3 s LEU 78 Cb -0.13 2.25 -0.04 0.00 -0.56 0.00 0.00 46.19 47.71 2jn3 s LEU 78 CO 0.03 -0.77 0.09 -0.54 -1.06 0.00 0.00 176.35 174.10 2jn3 s LYS 79 N -3.37 3.08 -0.10 1.48 1.02 -1.26 -0.19 119.74 120.41 2jn3 s LYS 79 Ca 0.04 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 2jn3 s LYS 79 Cb -0.01 -2.86 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2jn3 s LYS 79 CO -0.10 0.64 0.30 0.00 -0.92 0.00 0.00 175.35 175.27 2jn3 s THR 81 N -0.11 4.67 0.71 0.00 -4.23 -1.26 -2.57 115.64 112.85 2jn3 s THR 81 Ca -0.02 -2.81 -0.16 0.00 -1.18 0.00 0.00 61.69 57.51 2jn3 s THR 81 Cb -0.03 -3.94 0.01 0.00 1.34 0.00 0.00 72.50 69.88 2jn3 s THR 81 CO 0.01 -0.97 1.08 0.52 -0.54 0.00 0.00 174.62 174.73 2jn3 n VAL 82 N 3.61 3.30 -3.78 2.29 0.31 -1.26 -4.69 118.33 118.11 2jn3 n VAL 82 Ca 0.12 -0.39 -0.13 0.00 -0.01 0.00 0.00 64.34 63.93 2jn3 n VAL 82 Cb 0.42 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 32.03 2jn3 n VAL 82 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2jn3 s HIS 83 N -1.73 -0.20 -0.54 3.52 3.76 -1.01 -2.66 115.29 116.43 2jn3 s HIS 83 Ca 0.76 0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 55.90 2jn3 s HIS 83 Cb -0.35 0.08 0.11 0.00 1.11 0.00 0.00 32.58 33.53 2jn3 s HIS 83 CO 0.48 -0.28 0.54 -0.51 -0.85 0.00 0.00 174.74 174.12 2jn3 s LEU 84 N -0.77 5.85 0.10 0.89 1.43 -1.26 -1.22 118.68 123.71 2jn3 s LEU 84 Ca -0.09 -1.59 0.09 0.00 -1.03 0.00 0.00 54.13 51.51 2jn3 s LEU 84 Cb -0.04 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2jn3 s LEU 84 CO 0.02 -0.89 -0.21 0.00 0.23 0.00 0.00 176.35 175.50 2jn3 s ALA 85 N 1.93 2.57 -0.43 4.21 0.00 -0.52 -4.61 121.76 124.91 2jn3 s ALA 85 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2jn3 s ALA 85 Cb -0.27 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2jn3 s ALA 85 CO 0.05 0.57 0.00 -1.71 0.00 0.00 0.00 175.76 174.67 2jn3 n ASN 86 N 1.00 -1.91 -1.98 0.00 2.85 -1.26 0.12 115.26 114.07 2jn3 n ASN 86 Ca -0.16 0.32 -0.11 0.00 -0.11 0.00 0.00 54.58 54.51 2jn3 n ASN 86 Cb 0.53 -1.80 0.04 0.00 1.24 0.00 0.00 39.78 39.79 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 -0.49 0.24 3.34 8.20 0.00 -1.26 -5.03 105.19 110.19 2jn3 n GLY 87 Ca -0.05 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.61 0.47 0.21 1.61 1.02 0.31 -4.86 119.74 112.89 2jn3 s LYS 88 Ca 0.28 0.82 -0.30 0.00 0.02 0.00 0.00 55.97 56.79 2jn3 s LYS 88 Cb -0.12 0.06 -0.08 0.00 -0.52 0.00 0.00 37.83 37.16 2jn3 s LYS 88 CO 0.35 -0.14 1.21 -1.17 -0.92 0.00 0.00 175.35 174.68 2jn3 s LEU 89 N 1.19 4.46 -0.08 3.17 0.20 -1.13 -1.44 118.68 125.04 2jn3 s LEU 89 Ca -0.08 2.29 -0.03 0.00 0.69 0.00 0.00 54.13 57.00 2jn3 s LEU 89 Cb -0.07 -3.61 0.05 0.00 -0.43 0.00 0.00 46.19 42.12 2jn3 s LEU 89 CO -0.11 -0.37 0.16 0.68 -0.29 0.00 0.00 176.35 176.42 2jn3 s VAL 90 N -0.24 -0.20 -0.57 1.68 -7.23 -0.36 -1.31 120.40 112.18 2jn3 s VAL 90 Ca 0.52 0.29 -0.01 0.00 -1.81 0.00 0.00 61.98 60.97 2jn3 s VAL 90 Cb -0.33 -0.29 0.15 0.00 0.56 0.00 0.00 36.38 36.46 2jn3 s VAL 90 CO 0.38 0.12 0.36 -0.89 -0.31 0.00 0.00 175.10 174.76 2jn3 s THR 91 N 1.94 3.35 0.53 5.32 2.01 0.11 -2.41 115.64 126.48 2jn3 s THR 91 Ca -0.01 -2.92 -0.04 0.00 0.31 0.00 0.00 61.69 59.04 2jn3 s THR 91 Cb -0.12 -3.23 -0.00 0.00 0.01 0.00 0.00 72.50 69.16 2jn3 s THR 91 CO -0.06 -0.83 0.81 -1.59 -0.69 0.00 0.00 174.62 172.26 2jn3 s LYS 92 N 0.06 3.08 0.00 4.92 -2.85 -1.26 -1.65 119.74 122.04 2jn3 s LYS 92 Ca 0.16 -0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 2jn3 s LYS 92 Cb -0.22 -2.37 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 2jn3 s LYS 92 CO -0.03 -0.48 0.00 0.45 0.10 0.00 0.00 175.35 175.39 2jn3 n SER 93 N -2.38 0.00 -1.54 0.03 2.88 -0.73 -4.63 113.62 107.25 2jn3 n SER 93 Ca 0.03 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.51 2jn3 n SER 93 Cb 0.57 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.27 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 2.69 0.00 -1.46 1.02 -1.26 -4.45 120.64 117.18 2jn3 n GLU 94 Ca 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 2jn3 n GLU 94 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 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 -0.72 0.00 -3.64 3.49 2.85 -1.26 -5.14 118.16 113.74 2jn3 n LYS 95 Ca 0.38 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.61 2jn3 n LYS 95 Cb 1.23 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.55 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 -0.08 0.28 5.58 -0.12 -1.26 -4.70 117.98 117.67 2jn3 s PHE 96 Ca 0.00 0.17 0.11 0.00 -0.05 0.00 0.00 56.93 57.16 2jn3 s PHE 96 Cb 0.00 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.83 2jn3 s PHE 96 CO 0.00 -0.06 -0.14 0.45 -0.05 0.00 0.00 175.22 175.42 2jn3 s SER 97 N -0.62 3.90 -0.06 1.98 0.15 -0.78 -1.78 113.70 116.50 2jn3 s SER 97 Ca 0.07 -0.91 -0.05 0.00 0.70 0.00 0.00 55.95 55.77 2jn3 s SER 97 Cb -0.02 -0.48 0.02 0.00 -1.71 0.00 0.00 66.02 63.82 2jn3 s SER 97 CO -0.10 0.03 0.14 -2.28 1.20 0.00 0.00 173.24 172.23 2jn3 s HIS 98 N -2.45 -0.16 -0.18 3.44 5.04 -0.66 -2.64 115.29 117.68 2jn3 s HIS 98 Ca 0.30 0.40 -0.09 0.00 -1.54 0.00 0.00 55.06 54.13 2jn3 s HIS 98 Cb -0.05 0.04 0.07 0.00 0.04 0.00 0.00 32.58 32.68 2jn3 s HIS 98 CO 0.17 -0.08 0.43 -2.00 -2.34 0.00 0.00 174.74 170.91 2jn3 s GLU 99 N 0.16 0.40 0.11 2.88 -6.30 0.22 0.05 118.70 116.20 2jn3 s GLU 99 Ca -0.01 0.87 0.05 0.00 -2.50 0.00 0.00 54.97 53.38 2jn3 s GLU 99 Cb -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 34.13 34.14 2jn3 s GLU 99 CO -0.00 -0.18 -0.12 -1.14 0.02 0.00 0.00 175.26 173.84 2jn3 s GLN 100 N 1.69 0.91 0.05 4.30 0.74 -0.43 0.28 119.66 127.21 2jn3 s GLN 100 Ca -0.08 -1.19 -0.16 0.00 0.05 0.00 0.00 55.36 53.99 2jn3 s GLN 100 Cb -0.09 -0.67 0.03 0.00 1.10 0.00 0.00 33.01 33.38 2jn3 s GLN 100 CO -0.13 0.12 0.36 -2.00 -0.55 0.00 0.00 175.29 173.08 2jn3 s GLU 101 N -2.74 0.88 -0.07 1.67 2.12 -0.01 -2.85 118.70 117.70 2jn3 s GLU 101 Ca 0.07 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 55.00 2jn3 s GLU 101 Cb -0.04 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 2jn3 s GLU 101 CO 0.01 -0.29 -0.24 0.54 -0.54 0.00 0.00 175.26 174.74 2jn3 s VAL 102 N -2.58 2.17 -0.36 3.70 0.11 -1.26 -1.39 120.40 120.78 2jn3 s VAL 102 Ca -0.05 -1.02 -0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2jn3 s VAL 102 Cb -0.01 -1.80 0.12 0.00 -1.53 0.00 0.00 36.38 33.16 2jn3 s VAL 102 CO -0.03 0.57 0.17 -1.59 -3.33 0.00 0.00 175.10 170.88 2jn3 s LYS 103 N -0.08 0.77 5.93 1.54 0.00 -0.68 -4.91 119.74 122.31 2jn3 s LYS 103 Ca -0.06 -1.34 0.00 0.00 0.00 0.00 0.00 55.97 54.58 2jn3 s LYS 103 Cb -0.14 -1.82 0.00 0.00 0.00 0.00 0.00 37.83 35.86 2jn3 s LYS 103 CO 0.04 -1.09 0.00 0.41 0.00 0.00 0.00 175.35 174.71 2jn3 n GLY 104 N 4.33 1.72 0.39 0.59 0.00 -1.26 -3.20 105.19 107.75 2jn3 n GLY 104 Ca 0.04 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.78 2jn3 n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jn3 n ASN 105 N 9.14 2.89 -4.30 1.61 6.94 -1.26 -4.72 115.26 125.56 2jn3 n ASN 105 Ca 0.00 -2.88 -0.26 0.00 -0.02 0.00 0.00 54.58 51.42 2jn3 n ASN 105 Cb 0.00 -0.41 -0.13 0.00 -2.36 0.00 0.00 39.78 36.88 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2jn3 s GLU 106 N -2.55 1.28 -0.02 -3.83 2.02 -1.20 -2.60 118.70 111.80 2jn3 s GLU 106 Ca 0.32 -1.15 0.06 0.00 0.02 0.00 0.00 54.97 54.22 2jn3 s GLU 106 Cb 0.26 -1.55 -0.01 0.00 0.10 0.00 0.00 34.13 32.93 2jn3 s GLU 106 CO 0.06 0.37 -0.21 1.41 0.02 0.00 0.00 175.26 176.91 2jn3 s MET 107 N -1.73 1.80 -0.08 1.61 1.75 0.42 -1.69 119.30 121.39 2jn3 s MET 107 Ca 0.08 -0.76 0.02 0.00 -1.25 0.00 0.00 55.69 53.79 2jn3 s MET 107 Cb -0.10 -1.70 0.01 0.00 2.84 0.00 0.00 34.83 35.88 2jn3 s MET 107 CO 0.04 0.43 -0.15 0.08 -0.65 0.00 0.00 175.02 174.77 2jn3 s VAL 108 N -0.41 1.36 -0.29 10.11 1.01 -0.49 0.24 120.40 131.93 2jn3 s VAL 108 Ca 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2jn3 s VAL 108 Cb -0.09 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 35.12 2jn3 s VAL 108 CO -0.00 0.41 -0.02 -1.61 0.00 0.00 0.00 175.10 173.88 2jn3 s GLU 109 N 0.65 2.39 -0.25 2.72 2.02 0.79 -0.83 118.70 126.19 2jn3 s GLU 109 Ca -0.14 -1.29 -0.12 0.00 0.02 0.00 0.00 54.97 53.44 2jn3 s GLU 109 Cb -0.16 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 2jn3 s GLU 109 CO 0.04 -0.62 0.21 0.99 0.02 0.00 0.00 175.26 175.91 2jn3 s THR 110 N 1.22 5.31 -0.05 3.63 2.01 0.81 -0.73 115.64 127.85 2jn3 s THR 110 Ca -0.06 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.23 2jn3 s THR 110 Cb -0.20 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2jn3 s THR 110 CO -0.02 0.29 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.50 2jn3 s ILE 111 N 1.37 0.76 -0.05 1.82 1.01 -0.87 0.69 121.20 125.92 2jn3 s ILE 111 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2jn3 s ILE 111 Cb -0.15 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 2jn3 s ILE 111 CO 0.07 0.27 0.06 -0.89 0.00 0.00 0.00 174.94 174.46 2jn3 s THR 112 N 0.87 4.70 -0.29 2.92 2.01 -1.08 -0.28 115.64 124.48 2jn3 s THR 112 Ca -0.12 -0.27 -0.14 0.00 0.31 0.00 0.00 61.69 61.47 2jn3 s THR 112 Cb -0.15 -3.08 0.12 0.00 0.01 0.00 0.00 72.50 69.41 2jn3 s THR 112 CO 0.01 0.47 0.77 0.12 -0.69 0.00 0.00 174.62 175.30 2jn3 s PHE 113 N -1.07 -1.02 -0.82 4.92 2.19 0.17 -1.87 117.98 120.49 2jn3 s PHE 113 Ca 0.19 1.89 -0.04 0.00 0.33 0.00 0.00 56.93 59.30 2jn3 s PHE 113 Cb -0.12 0.61 0.00 0.00 -1.31 0.00 0.00 43.02 42.21 2jn3 s PHE 113 CO 0.09 -0.51 0.49 0.41 1.83 0.00 0.00 175.22 177.53 2jn3 n GLY 114 N 4.73 0.06 2.60 13.12 0.00 -1.26 -1.94 105.19 122.49 2jn3 n GLY 114 Ca -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.26 0.25 3.53 -0.02 0.00 -1.26 -4.97 105.19 101.45 2jn3 n GLY 115 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.52 3.38 -0.14 1.61 1.01 -0.82 -5.11 120.40 118.81 2jn3 s VAL 116 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2jn3 s VAL 116 Cb 0.00 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2jn3 s VAL 116 CO 0.00 0.59 -0.12 -0.89 0.00 0.00 0.00 175.10 174.68 2jn3 s THR 117 N -0.78 3.11 0.15 3.92 2.01 -1.26 0.46 115.64 123.25 2jn3 s THR 117 Ca 0.12 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2jn3 s THR 117 Cb -0.11 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 2jn3 s THR 117 CO 0.01 0.52 0.04 -0.22 -0.69 0.00 0.00 174.62 174.28 2jn3 s LEU 118 N 0.42 3.51 -0.37 4.42 2.96 0.62 -4.93 118.68 125.30 2jn3 s LEU 118 Ca -0.09 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2jn3 s LEU 118 Cb -0.16 -2.17 0.12 0.00 0.50 0.00 0.00 46.19 44.49 2jn3 s LEU 118 CO 0.05 0.10 0.17 -0.63 -1.32 0.00 0.00 176.35 174.72 2jn3 s ILE 119 N -1.64 1.13 -0.17 6.68 1.01 -1.26 -2.05 121.20 124.89 2jn3 s ILE 119 Ca 0.28 -2.00 -0.14 0.00 0.00 0.00 0.00 60.65 58.79 2jn3 s ILE 119 Cb -0.10 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 2jn3 s ILE 119 CO 0.20 -0.80 0.31 -0.60 0.00 0.00 0.00 174.94 174.05 2jn3 s ARG 120 N 0.96 4.23 -0.10 2.79 3.52 0.09 -3.89 118.95 126.55 2jn3 s ARG 120 Ca 0.14 0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.83 2jn3 s ARG 120 Cb -0.21 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2jn3 s ARG 120 CO -0.11 0.16 -0.06 -0.98 -0.81 0.00 0.00 175.30 173.51 2jn3 s ARG 121 N 0.70 3.05 -0.04 5.12 1.70 -0.96 0.28 118.95 128.80 2jn3 s ARG 121 Ca 0.17 -0.53 0.04 0.00 -0.47 0.00 0.00 55.73 54.94 2jn3 s ARG 121 Cb -0.13 -2.70 -0.00 0.00 -0.57 0.00 0.00 34.95 31.54 2jn3 s ARG 121 CO 0.05 0.54 -0.18 -1.12 -1.08 0.00 0.00 175.30 173.51 2jn3 s SER 122 N -0.46 2.22 0.26 -2.89 0.01 0.67 0.41 113.70 113.93 2jn3 s SER 122 Ca 0.07 -0.36 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 2jn3 s SER 122 Cb -0.12 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.45 2jn3 s SER 122 CO 0.02 0.16 0.52 -0.75 0.41 0.00 0.00 173.24 173.60 2jn3 s LYS 123 N 0.01 3.63 -0.02 12.44 2.20 0.63 0.16 119.74 138.79 2jn3 s LYS 123 Ca -0.03 -0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.36 2jn3 s LYS 123 Cb -0.11 -2.68 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 2jn3 s LYS 123 CO 0.02 0.26 0.57 0.50 -0.36 0.00 0.00 175.35 176.34 2jn3 s ARG 124 N -3.39 4.29 0.00 4.03 3.52 -1.07 0.54 118.95 126.86 2jn3 s ARG 124 Ca 0.43 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 56.71 2jn3 s ARG 124 Cb -0.11 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 2jn3 s ARG 124 CO 0.29 0.37 0.07 0.28 -0.81 0.00 0.00 175.30 175.49