#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnb s THR 2 N 0.00 -0.04 -0.32 2.03 -1.32 -1.26 -5.02 115.64 109.71 2jnb s THR 2 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 2jnb s THR 2 Cb 0.00 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.15 2jnb s THR 2 CO 0.00 0.00 0.44 -0.70 -2.21 0.00 0.00 174.62 172.15 2jnb s GLU 3 N 1.41 0.52 0.54 7.08 2.12 -1.26 -5.16 118.70 123.95 2jnb s GLU 3 Ca -0.06 -0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.22 2jnb s GLU 3 Cb -0.02 -0.32 0.10 0.00 0.26 0.00 0.00 34.13 34.15 2jnb s GLU 3 CO -0.12 -1.09 0.74 0.00 -0.54 0.00 0.00 175.26 174.25 2jnb n ALA 4 N 5.01 0.75 -0.62 6.30 0.00 -1.26 -5.08 120.51 125.61 2jnb n ALA 4 Ca 0.04 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.74 2jnb n ALA 4 Cb 0.50 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.36 2jnb n ALA 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jnb n ASP 5 N -2.60 0.00 -2.43 0.00 8.00 -1.26 -5.01 116.55 113.26 2jnb n ASP 5 Ca 0.14 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.61 2jnb n ASP 5 Cb 0.51 0.08 0.05 0.00 -0.02 0.00 0.00 41.12 41.73 2jnb n ASP 5 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2jnb n VAL 6 N -1.57 1.34 -3.89 2.53 0.31 -1.26 -5.08 118.33 110.70 2jnb n VAL 6 Ca 0.00 -2.88 -0.08 0.00 -0.01 0.00 0.00 64.34 61.37 2jnb n VAL 6 Cb 0.00 0.80 -0.08 0.00 -0.91 0.00 0.00 33.84 33.65 2jnb n VAL 6 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jnb s ASN 7 N -3.50 0.17 -0.89 4.52 2.20 -1.26 -5.09 114.94 111.10 2jnb s ASN 7 Ca 0.32 -0.70 -0.25 0.00 -0.94 0.00 0.00 52.86 51.30 2jnb s ASN 7 Cb 0.35 0.32 -0.05 0.00 -2.00 0.00 0.00 41.25 39.87 2jnb s ASN 7 CO -0.05 -0.71 1.94 -2.16 -2.94 0.00 0.00 177.10 173.18 2jnb s PRO 8 N -3.87 2.56 0.17 3.55 0.04 -1.26 -4.79 135.00 131.41 2jnb s PRO 8 Ca 0.05 -0.24 -0.05 0.00 0.04 0.00 0.00 61.00 60.80 2jnb s PRO 8 Cb 0.05 -5.02 0.04 0.00 0.04 0.00 0.00 34.50 29.61 2jnb s PRO 8 CO -0.11 -3.34 1.46 -0.22 0.04 0.00 0.00 177.00 174.83 2jnb h LYS 9 N 11.50 0.60 -0.30 4.56 1.63 -1.99 -3.35 116.57 129.22 2jnb h LYS 9 Ca 0.08 -0.41 -0.22 0.00 -0.85 0.00 0.00 60.65 59.24 2jnb h LYS 9 Cb 1.01 0.06 -0.40 0.00 -0.60 0.00 0.00 32.23 32.31 2jnb h LYS 9 CO 1.21 1.03 -1.09 0.00 -3.45 0.00 0.00 179.45 177.15 2jnb n ALA 10 N -2.53 2.53 -2.67 5.00 0.00 -1.26 -5.09 120.51 116.49 2jnb n ALA 10 Ca -0.04 -2.64 -0.23 0.00 0.00 0.00 0.00 53.44 50.54 2jnb n ALA 10 Cb 0.64 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 2jnb n ALA 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2jnb s TYR 11 N -2.62 2.76 0.59 0.00 1.51 -1.26 -4.06 117.35 114.27 2jnb s TYR 11 Ca 0.29 -0.20 -0.18 0.00 -1.01 0.00 0.00 57.07 55.97 2jnb s TYR 11 Cb 0.34 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 2jnb s TYR 11 CO -0.08 0.61 1.12 -1.25 -1.11 0.00 0.00 175.55 174.84 2jnb s PRO 12 N -3.70 3.12 -0.06 -1.71 0.04 -1.26 -4.94 135.00 126.48 2jnb s PRO 12 Ca 0.32 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.91 2jnb s PRO 12 Cb -0.07 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2jnb s PRO 12 CO 0.21 -1.02 -0.19 -1.17 0.04 0.00 0.00 177.00 174.87 2jnb s LEU 13 N -4.26 2.45 -0.10 -3.56 2.96 -1.26 -4.01 118.68 110.92 2jnb s LEU 13 Ca 0.70 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2jnb s LEU 13 Cb -0.22 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2jnb s LEU 13 CO 0.33 0.28 0.00 0.00 -1.32 0.00 0.00 176.35 175.64 2jnb s ALA 14 N -0.33 3.26 1.04 5.97 0.00 -1.26 -5.10 121.76 125.33 2jnb s ALA 14 Ca 0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 2jnb s ALA 14 Cb -0.13 -1.51 0.12 0.00 0.00 0.00 0.00 23.12 21.60 2jnb s ALA 14 CO 0.02 0.52 0.50 -0.40 0.00 0.00 0.00 175.76 176.41 2jnb n ASP 15 N 2.37 -1.74 -0.16 0.00 5.75 -1.26 -4.56 116.55 116.96 2jnb n ASP 15 Ca -0.18 0.12 0.04 0.00 -0.01 0.00 0.00 54.79 54.76 2jnb n ASP 15 Cb 0.53 -1.18 0.32 0.00 -1.03 0.00 0.00 41.12 39.77 2jnb n ASP 15 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jnb h ALA 16 N -1.96 1.61 0.00 2.12 0.00 -1.99 -0.58 119.26 118.46 2jnb h ALA 16 Ca -0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2jnb h ALA 16 Cb 1.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2jnb h ALA 16 CO 0.39 0.33 -0.21 0.45 0.00 0.00 0.00 179.25 180.21 2jnb h HIS 17 N 0.82 0.00 0.12 0.00 -0.00 -2.01 -2.21 115.15 111.87 2jnb h HIS 17 Ca 0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.45 2jnb h HIS 17 Cb 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.46 2jnb h HIS 17 CO -0.00 0.21 -0.86 1.25 -0.00 0.00 0.00 177.93 178.53 2jnb h LEU 18 N 0.00 0.40 -1.13 2.43 7.12 -1.47 -3.34 115.31 119.33 2jnb h LEU 18 Ca -0.00 -0.93 0.06 0.00 0.13 0.00 0.00 57.88 57.14 2jnb h LEU 18 Cb 0.42 -0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.36 2jnb h LEU 18 CO 0.03 1.40 0.60 0.74 -0.13 0.00 0.00 178.44 181.08 2jnb h THR 19 N -0.43 1.08 -1.00 1.05 2.02 -1.10 -1.63 112.91 112.90 2jnb h THR 19 Ca -0.16 -0.36 0.15 0.00 0.77 0.00 0.00 66.41 66.80 2jnb h THR 19 Cb 1.60 -0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 67.85 2jnb h THR 19 CO 0.11 0.19 0.62 0.11 0.37 0.00 0.00 175.52 176.93 2jnb h LYS 20 N 1.06 0.87 -0.14 6.66 1.57 -1.51 0.22 116.57 125.28 2jnb h LYS 20 Ca 0.39 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2jnb h LYS 20 Cb 0.17 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2jnb h LYS 20 CO -0.14 0.57 -0.01 0.87 -0.57 0.00 0.00 179.45 180.17 2jnb h LYS 21 N 0.89 0.26 -0.75 3.15 1.57 -1.42 -2.79 116.57 117.47 2jnb h LYS 21 Ca 0.54 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 59.20 2jnb h LYS 21 Cb 0.67 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 2jnb h LYS 21 CO -0.32 0.50 0.34 -0.07 -0.57 0.00 0.00 179.45 179.33 2jnb h LEU 22 N -0.01 1.00 -1.31 2.94 3.38 -1.12 -2.46 115.31 117.72 2jnb h LEU 22 Ca 0.04 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2jnb h LEU 22 Cb 0.39 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2jnb h LEU 22 CO 0.01 0.87 0.53 -0.07 0.09 0.00 0.00 178.44 179.87 2jnb h LEU 23 N 1.06 0.71 -1.36 1.67 3.38 -0.55 -0.08 115.31 120.13 2jnb h LEU 23 Ca 0.25 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 2jnb h LEU 23 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jnb h LEU 23 CO -0.03 0.43 -0.22 -0.78 0.09 0.00 0.00 178.44 177.94 2jnb h ASP 24 N 0.79 0.14 -0.53 -0.43 1.82 -1.17 -2.89 116.42 114.15 2jnb h ASP 24 Ca 0.36 -0.03 0.06 0.00 -0.39 0.00 0.00 57.03 57.03 2jnb h ASP 24 Cb 0.37 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.29 2jnb h ASP 24 CO -0.14 0.37 0.24 0.25 -1.61 0.00 0.00 179.24 178.35 2jnb h LEU 25 N 0.14 0.31 -0.31 2.28 7.12 -0.90 -2.45 115.31 121.49 2jnb h LEU 25 Ca 0.02 0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.15 2jnb h LEU 25 Cb 0.47 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 40.53 2jnb h LEU 25 CO 0.03 0.21 -0.14 0.58 -0.13 0.00 0.00 178.44 178.99 2jnb h VAL 26 N 0.46 0.56 -0.63 1.05 2.07 -1.52 0.61 116.25 118.85 2jnb h VAL 26 Ca 0.25 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.93 2jnb h VAL 26 Cb 0.21 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2jnb h VAL 26 CO -0.20 0.00 0.45 -0.61 0.02 0.00 0.00 177.57 177.22 2jnb h GLN 27 N -0.09 0.09 -0.01 1.57 4.15 -0.97 0.19 115.11 120.04 2jnb h GLN 27 Ca 0.16 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.40 2jnb h GLN 27 Cb 0.33 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2jnb h GLN 27 CO -0.37 0.06 -0.77 1.96 -1.93 0.00 0.00 178.83 177.77 2jnb h GLN 28 N 0.09 0.11 0.09 1.69 1.08 -0.66 -2.61 115.11 114.90 2jnb h GLN 28 Ca 0.30 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2jnb h GLN 28 Cb 1.08 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2jnb h GLN 28 CO -0.03 0.83 -0.04 1.03 -0.95 0.00 0.00 178.83 179.66 2jnb h SER 29 N 0.07 -0.11 0.18 1.46 0.87 0.19 -3.13 113.55 113.09 2jnb h SER 29 Ca -0.02 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 2jnb h SER 29 Cb 1.36 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2jnb h SER 29 CO 0.11 0.40 -0.10 0.00 -0.53 0.00 0.00 176.83 176.71 2jnb h ASN 31 N 0.00 0.00 -0.54 0.00 -1.24 -1.41 -2.07 115.58 110.32 2jnb h ASN 31 Ca -0.00 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 2jnb h ASN 31 Cb 0.21 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.20 2jnb h ASN 31 CO 0.01 0.17 0.14 -1.22 -1.29 0.00 0.00 177.43 175.24 2jnb n TYR 32 N -3.63 1.83 -2.16 0.67 4.02 -0.52 -4.87 117.16 112.51 2jnb n TYR 32 Ca -0.01 -0.83 -0.20 0.00 -0.01 0.00 0.00 57.90 56.84 2jnb n TYR 32 Cb 0.30 -0.53 -0.03 0.00 -0.02 0.00 0.00 39.34 39.06 2jnb n TYR 32 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2jnb n LYS 33 N 0.14 -1.65 -4.44 -0.72 4.81 -0.78 -4.97 118.16 110.55 2jnb n LYS 33 Ca 0.28 1.04 -0.21 0.00 -0.87 0.00 0.00 58.31 58.55 2jnb n LYS 33 Cb 1.11 -5.61 -0.16 0.00 0.02 0.00 0.00 35.03 30.39 2jnb n LYS 33 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2jnb s GLN 34 N -4.64 1.13 0.12 1.64 -2.07 -1.07 -5.03 119.66 109.75 2jnb s GLN 34 Ca 0.00 -0.33 -0.26 0.00 -1.82 0.00 0.00 55.36 52.95 2jnb s GLN 34 Cb 0.00 -1.03 0.08 0.00 -1.09 0.00 0.00 33.01 30.97 2jnb s GLN 34 CO 0.00 0.10 1.05 -0.48 -1.32 0.00 0.00 175.29 174.64 2jnb s LEU 35 N 0.30 -0.11 -0.29 2.60 0.05 -1.26 -2.34 118.68 117.63 2jnb s LEU 35 Ca -0.05 -0.40 -0.01 0.00 0.05 0.00 0.00 54.13 53.72 2jnb s LEU 35 Cb -0.10 1.96 0.18 0.00 -2.05 0.00 0.00 46.19 46.18 2jnb s LEU 35 CO 0.01 -0.78 0.56 -0.13 -0.55 0.00 0.00 176.35 175.46 2jnb s ARG 36 N -2.86 0.53 -0.64 1.48 1.81 -1.24 -4.99 118.95 113.03 2jnb s ARG 36 Ca 0.15 0.92 0.04 0.00 -1.72 0.00 0.00 55.73 55.12 2jnb s ARG 36 Cb -0.00 0.38 0.16 0.00 -0.45 0.00 0.00 34.95 35.03 2jnb s ARG 36 CO 0.02 -0.63 0.42 0.15 -0.68 0.00 0.00 175.30 174.57 2jnb s LYS 37 N 2.81 2.33 -0.30 3.54 3.01 -1.26 -1.91 119.74 127.96 2jnb s LYS 37 Ca 0.19 -3.03 -0.16 0.00 -1.01 0.00 0.00 55.97 51.97 2jnb s LYS 37 Cb -0.15 -3.43 0.17 0.00 -1.01 0.00 0.00 37.83 33.41 2jnb s LYS 37 CO -0.20 -1.21 1.08 0.20 0.51 0.00 0.00 175.35 175.73 2jnb s GLY 38 N -0.83 0.14 0.03 -3.33 0.00 -1.08 -5.00 107.32 97.25 2jnb s GLY 38 Ca 0.22 3.35 -0.25 0.00 0.00 0.00 0.00 44.72 48.04 2jnb s GLY 38 CO -0.09 2.89 1.45 0.00 0.00 0.00 0.00 173.10 177.35 2jnb h ALA 39 N 6.31 -0.07 0.01 3.20 0.00 -1.96 0.24 119.26 126.99 2jnb h ALA 39 Ca -0.23 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2jnb h ALA 39 Cb 1.16 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2jnb h ALA 39 CO 0.16 -0.40 -0.88 -0.91 0.00 0.00 0.00 179.25 177.22 2jnb h ASN 40 N -0.34 0.15 0.86 0.00 4.21 -1.97 -3.18 115.58 115.30 2jnb h ASN 40 Ca -0.01 -0.13 -0.12 0.00 1.21 0.00 0.00 56.30 57.26 2jnb h ASN 40 Cb 0.31 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 2jnb h ASN 40 CO 0.01 0.95 -0.55 -0.33 -1.29 0.00 0.00 177.43 176.23 2jnb h GLU 41 N 0.06 0.00 -0.34 0.81 4.39 -1.94 -3.08 114.58 114.48 2jnb h GLU 41 Ca -0.03 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.77 2jnb h GLU 41 Cb 1.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.16 2jnb h GLU 41 CO 0.13 0.55 0.34 0.00 -1.16 0.00 0.00 179.01 178.86 2jnb h ALA 42 N 1.45 2.07 -0.04 3.43 0.00 -0.49 0.16 119.26 125.85 2jnb h ALA 42 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2jnb h ALA 42 Cb 1.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jnb h ALA 42 CO 0.07 -0.52 -0.46 1.15 0.00 0.00 0.00 179.25 179.50 2jnb h THR 43 N 0.00 1.33 0.19 0.00 2.02 -1.69 -3.18 112.91 111.58 2jnb h THR 43 Ca 0.16 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.74 2jnb h THR 43 Cb 0.84 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2jnb h THR 43 CO -0.00 0.47 -0.16 0.11 0.37 0.00 0.00 175.52 176.30 2jnb h LYS 44 N 0.07 -0.36 0.27 6.66 1.79 -0.85 0.17 116.57 124.32 2jnb h LYS 44 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2jnb h LYS 44 Cb 0.84 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.54 2jnb h LYS 44 CO 0.06 -0.24 -0.49 1.79 -1.08 0.00 0.00 179.45 179.50 2jnb h THR 45 N -0.37 0.06 -0.21 -0.16 1.35 -1.61 0.26 112.91 112.22 2jnb h THR 45 Ca -0.01 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 2jnb h THR 45 Cb 0.34 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 2jnb h THR 45 CO -0.02 0.00 0.15 0.25 -0.25 0.00 0.00 175.52 175.65 2jnb h LEU 46 N -0.82 0.03 -0.57 3.87 6.46 -1.54 0.63 115.31 123.36 2jnb h LEU 46 Ca -0.02 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.64 2jnb h LEU 46 Cb 0.78 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 2jnb h LEU 46 CO -0.19 0.02 -0.46 0.78 -0.62 0.00 0.00 178.44 177.98 2jnb h ASN 47 N 0.03 0.00 1.28 1.25 -0.26 0.57 -3.09 115.58 115.37 2jnb h ASN 47 Ca 0.10 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.73 2jnb h ASN 47 Cb 0.35 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 2jnb h ASN 47 CO -0.00 0.46 -0.75 0.03 -1.06 0.00 0.00 177.43 176.10 2jnb h ARG 48 N 0.00 0.00 -0.35 0.81 3.08 0.17 -3.48 114.38 114.61 2jnb h ARG 48 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jnb h ARG 48 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2jnb h ARG 48 CO 0.06 0.38 0.00 0.41 -1.07 0.00 0.00 179.97 179.75 2jnb n GLY 49 N 1.26 0.82 0.41 0.04 0.00 -0.58 -5.01 105.19 102.12 2jnb n GLY 49 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2jnb n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jnb n ILE 50 N -0.52 0.00 -3.16 -0.61 -6.64 -1.13 -5.06 119.36 102.25 2jnb n ILE 50 Ca 0.00 0.00 -0.40 0.00 -1.77 0.00 0.00 62.75 60.58 2jnb n ILE 50 Cb 0.13 0.45 -0.07 0.00 -1.44 0.00 0.00 39.64 38.71 2jnb n ILE 50 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2jnb s SER 51 N -0.63 6.55 -0.19 7.28 0.15 -1.25 -3.62 113.70 122.00 2jnb s SER 51 Ca 0.00 0.67 -0.17 0.00 0.70 0.00 0.00 55.95 57.15 2jnb s SER 51 Cb 0.00 -2.32 -0.21 0.00 -1.71 0.00 0.00 66.02 61.78 2jnb s SER 51 CO 0.00 -0.32 0.23 -0.62 1.20 0.00 0.00 173.24 173.73 2jnb n GLU 52 N 5.50 0.62 -3.63 5.44 4.71 0.14 -4.94 120.64 128.48 2jnb n GLU 52 Ca -0.02 0.48 -0.06 0.00 -0.01 0.00 0.00 57.16 57.55 2jnb n GLU 52 Cb 0.49 -1.73 -0.06 0.00 -1.01 0.00 0.00 31.44 29.14 2jnb n GLU 52 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2jnb s PHE 53 N -2.42 -0.20 0.26 -0.32 -0.71 -1.24 -4.92 117.98 108.43 2jnb s PHE 53 Ca -0.28 0.43 0.11 0.00 -1.04 0.00 0.00 56.93 56.15 2jnb s PHE 53 Cb 0.06 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.28 2jnb s PHE 53 CO 0.64 -0.14 -0.14 0.96 -1.34 0.00 0.00 175.22 175.19 2jnb s ILE 54 N -0.48 2.78 0.02 -4.49 -4.36 -1.26 -1.73 121.20 111.68 2jnb s ILE 54 Ca 0.05 -2.17 0.06 0.00 -0.26 0.00 0.00 60.65 58.33 2jnb s ILE 54 Cb -0.03 -2.45 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 2jnb s ILE 54 CO -0.08 -0.34 -0.19 -0.69 0.24 0.00 0.00 174.94 173.89 2jnb s VAL 55 N -2.29 1.52 -0.04 8.37 1.01 -1.03 -3.49 120.40 124.44 2jnb s VAL 55 Ca 0.29 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2jnb s VAL 55 Cb -0.06 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2jnb s VAL 55 CO 0.16 0.24 0.03 -0.04 0.00 0.00 0.00 175.10 175.48 2jnb s MET 56 N -0.94 0.21 0.25 2.72 -1.94 -0.86 -2.68 119.30 116.07 2jnb s MET 56 Ca 0.06 0.21 -0.30 0.00 -1.71 0.00 0.00 55.69 53.95 2jnb s MET 56 Cb -0.08 -0.60 -0.11 0.00 2.01 0.00 0.00 34.83 36.05 2jnb s MET 56 CO 0.01 -0.26 1.53 0.00 -0.01 0.00 0.00 175.02 176.29 2jnb s ALA 57 N 1.71 3.71 0.56 3.03 0.00 -1.23 -4.01 121.76 125.52 2jnb s ALA 57 Ca -0.00 1.44 0.25 0.00 0.00 0.00 0.00 51.96 53.65 2jnb s ALA 57 Cb -0.13 -3.61 1.51 0.00 0.00 0.00 0.00 23.12 20.89 2jnb s ALA 57 CO -0.03 -0.85 2.10 0.00 0.00 0.00 0.00 175.76 176.97 2jnb h ALA 58 N 5.26 2.01 -0.48 0.00 0.00 -1.90 -1.16 119.26 122.98 2jnb h ALA 58 Ca -0.46 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 2jnb h ALA 58 Cb 1.22 0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.79 2jnb h ALA 58 CO 0.81 -0.29 -0.42 -0.25 0.00 0.00 0.00 179.25 179.09 2jnb n ASP 59 N -4.14 3.73 -4.79 0.00 9.92 -1.26 -5.00 116.55 115.01 2jnb n ASP 59 Ca 0.02 -3.81 -0.36 0.00 -0.53 0.00 0.00 54.79 50.11 2jnb n ASP 59 Cb 0.32 -0.51 -0.07 0.00 -0.64 0.00 0.00 41.12 40.21 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jnb s ALA 60 N -3.45 3.67 0.21 2.24 0.00 -0.44 -4.99 121.76 119.01 2jnb s ALA 60 Ca 0.47 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.81 2jnb s ALA 60 Cb 0.41 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 2jnb s ALA 60 CO -0.00 0.52 -0.12 -1.21 0.00 0.00 0.00 175.76 174.95 2jnb s GLU 61 N -0.72 1.34 0.55 0.00 2.02 -1.26 -4.05 118.70 116.57 2jnb s GLU 61 Ca 0.13 -1.61 -0.19 0.00 0.02 0.00 0.00 54.97 53.31 2jnb s GLU 61 Cb -0.12 -1.05 -0.06 0.00 0.10 0.00 0.00 34.13 33.01 2jnb s GLU 61 CO 0.03 0.13 1.13 -1.25 0.02 0.00 0.00 175.26 175.32 2jnb s PRO 62 N -3.68 3.33 -0.06 0.39 0.04 -1.26 -4.90 135.00 128.86 2jnb s PRO 62 Ca 0.23 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2jnb s PRO 62 Cb 0.01 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 32.30 2jnb s PRO 62 CO 0.07 -0.87 0.60 -0.07 0.04 0.00 0.00 177.00 176.77 2jnb h LEU 63 N 1.15 0.15 -1.99 -3.56 3.38 -2.01 -3.34 115.31 109.09 2jnb h LEU 63 Ca -0.50 -0.33 0.23 0.00 0.09 0.00 0.00 57.88 57.38 2jnb h LEU 63 Cb 1.26 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2jnb h LEU 63 CO 0.57 1.29 0.58 -0.08 0.09 0.00 0.00 178.44 180.89 2jnb h GLU 64 N 0.03 0.01 0.07 1.13 4.81 -2.00 0.20 114.58 118.83 2jnb h GLU 64 Ca -0.32 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.65 2jnb h GLU 64 Cb 2.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.38 2jnb h GLU 64 CO 0.09 0.00 -1.28 0.82 -0.73 0.00 0.00 179.01 177.91 2jnb h ILE 65 N 0.01 1.42 -0.10 2.32 2.04 -2.00 -3.26 117.51 117.93 2jnb h ILE 65 Ca 0.38 -3.08 0.03 0.00 1.00 0.00 0.00 64.86 63.19 2jnb h ILE 65 Cb 1.53 2.82 -0.00 0.00 -0.74 0.00 0.00 36.82 40.42 2jnb h ILE 65 CO -0.01 0.87 0.13 0.40 0.00 0.00 0.00 178.15 179.54 2jnb h ILE 66 N 0.04 0.41 0.00 -0.67 1.08 -0.71 0.25 117.51 117.91 2jnb h ILE 66 Ca -0.14 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 2jnb h ILE 66 Cb 1.92 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 2jnb h ILE 66 CO 0.16 0.00 -0.73 0.18 -0.69 0.00 0.00 178.15 177.07 2jnb n LEU 67 N -3.69 0.66 -0.11 1.44 4.77 -1.11 -4.14 117.00 114.82 2jnb n LEU 67 Ca -0.00 -0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 2jnb n LEU 67 Cb 0.23 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2jnb n LEU 67 CO 0.26 0.14 0.59 -0.74 -1.33 0.00 0.00 177.39 176.31 2jnb h HIS 68 N 0.00 0.94 0.19 -1.77 2.76 -0.55 -3.28 115.15 113.44 2jnb h HIS 68 Ca 0.00 -0.27 0.01 0.00 -2.20 0.00 0.00 60.37 57.91 2jnb h HIS 68 Cb 0.54 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.26 2jnb h HIS 68 CO 0.00 1.03 -0.52 -0.07 -1.30 0.00 0.00 177.93 177.07 2jnb h LEU 69 N 0.57 -1.54 -9.09 0.26 3.38 -1.71 -3.39 115.31 103.79 2jnb h LEU 69 Ca 0.06 0.16 -0.56 0.00 0.09 0.00 0.00 57.88 57.63 2jnb h LEU 69 Cb 0.85 0.56 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2jnb h LEU 69 CO 0.07 -0.58 1.10 -2.16 0.09 0.00 0.00 178.44 176.96 2jnb s PRO 70 N -5.80 3.91 -0.14 1.13 0.04 -1.24 -4.92 135.00 127.99 2jnb s PRO 70 Ca -0.17 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 2jnb s PRO 70 Cb 0.06 -4.00 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 2jnb s PRO 70 CO 0.61 -1.15 0.09 -0.07 0.04 0.00 0.00 177.00 176.52 2jnb h LEU 71 N 11.22 0.00 0.00 -3.56 3.38 -1.83 -3.47 115.31 121.04 2jnb h LEU 71 Ca -0.34 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2jnb h LEU 71 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2jnb h LEU 71 CO 0.99 0.81 0.00 0.18 0.09 0.00 0.00 178.44 180.51 2jnb n LEU 72 N -4.65 0.00 0.00 1.67 7.99 -1.26 -5.15 117.00 115.60 2jnb n LEU 72 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 2jnb n LEU 72 Cb 0.26 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 2jnb n LEU 72 CO 0.12 -0.29 0.00 0.00 -1.51 0.00 0.00 177.39 175.71 2jnb h GLU 74 N 0.00 0.30 -0.21 0.00 9.09 -1.95 0.26 114.58 122.07 2jnb h GLU 74 Ca 0.00 -0.02 0.06 0.00 0.05 0.00 0.00 59.36 59.45 2jnb h GLU 74 Cb 0.00 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.02 2jnb h GLU 74 CO 0.00 0.20 0.16 -0.44 0.05 0.00 0.00 179.01 178.98 2jnb h ASP 75 N 0.31 0.00 -0.39 3.06 5.19 -1.95 0.24 116.42 122.87 2jnb h ASP 75 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 2jnb h ASP 75 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2jnb h ASP 75 CO -0.12 0.00 0.00 1.17 -3.12 0.00 0.00 179.24 177.17 2jnb n LYS 76 N -4.42 2.48 -2.43 3.56 0.00 0.91 -4.96 118.16 113.29 2jnb n LYS 76 Ca 0.02 -1.65 -0.01 0.00 0.00 0.00 0.00 58.31 56.67 2jnb n LYS 76 Cb 0.30 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.76 2jnb n LYS 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jnb n ASN 77 N 0.60 -6.55 -3.33 3.14 5.15 0.85 -4.95 115.26 110.17 2jnb n ASN 77 Ca 0.15 0.97 -0.14 0.00 -0.60 0.00 0.00 54.58 54.97 2jnb n ASN 77 Cb 0.53 -4.29 -0.06 0.00 -0.53 0.00 0.00 39.78 35.42 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jnb s VAL 78 N -1.40 -0.45 0.51 3.44 1.01 -1.25 -5.00 120.40 117.26 2jnb s VAL 78 Ca 0.03 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 2jnb s VAL 78 Cb -0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 2jnb s VAL 78 CO 0.59 -0.48 1.14 -2.16 0.00 0.00 0.00 175.10 174.19 2jnb s PRO 79 N 1.46 3.53 -0.24 2.72 0.04 -1.26 -4.67 135.00 136.59 2jnb s PRO 79 Ca 0.17 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 2jnb s PRO 79 Cb -0.13 -2.18 0.16 0.00 0.04 0.00 0.00 34.50 32.39 2jnb s PRO 79 CO -0.03 -0.72 1.20 1.52 0.04 0.00 0.00 177.00 179.01 2jnb s TYR 80 N -1.68 -0.20 -0.18 0.56 -0.85 -1.24 -4.27 117.35 109.49 2jnb s TYR 80 Ca 0.69 0.38 -0.13 0.00 -0.52 0.00 0.00 57.07 57.49 2jnb s TYR 80 Cb -0.26 0.47 0.05 0.00 0.38 0.00 0.00 41.96 42.60 2jnb s TYR 80 CO 0.30 -0.17 0.45 0.54 -1.52 0.00 0.00 175.55 175.15 2jnb s VAL 81 N -0.84 -0.01 -0.27 -3.49 0.11 -1.23 -4.97 120.40 109.70 2jnb s VAL 81 Ca 0.04 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 2jnb s VAL 81 Cb -0.01 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 2jnb s VAL 81 CO -0.05 0.02 0.19 -0.36 -3.33 0.00 0.00 175.10 171.57 2jnb s PHE 82 N 0.81 3.24 0.37 1.54 0.08 -1.26 -2.03 117.98 120.73 2jnb s PHE 82 Ca -0.05 0.15 0.06 0.00 0.12 0.00 0.00 56.93 57.22 2jnb s PHE 82 Cb -0.05 -2.37 0.06 0.00 -0.57 0.00 0.00 43.02 40.09 2jnb s PHE 82 CO -0.06 -0.12 0.48 1.33 -0.10 0.00 0.00 175.22 176.76 2jnb n VAL 83 N 4.91 0.00 -1.97 -0.44 0.24 -1.26 -4.15 118.33 115.66 2jnb n VAL 83 Ca -0.14 -1.26 -0.06 0.00 -2.04 0.00 0.00 64.34 60.84 2jnb n VAL 83 Cb 0.52 -0.63 0.10 0.00 -1.47 0.00 0.00 33.84 32.36 2jnb n VAL 83 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2jnb n ARG 84 N -1.75 2.22 -3.10 7.34 1.85 -1.26 -3.94 116.66 118.02 2jnb n ARG 84 Ca 0.09 -3.53 0.05 0.00 -1.00 0.00 0.00 57.85 53.47 2jnb n ARG 84 Cb 0.39 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2jnb s SER 85 N -3.31 -0.11 0.13 2.89 0.01 -1.26 -5.04 113.70 107.01 2jnb s SER 85 Ca 0.42 0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.57 2jnb s SER 85 Cb 0.38 0.96 -0.07 0.00 0.21 0.00 0.00 66.02 67.50 2jnb s SER 85 CO -0.04 -0.02 1.40 0.07 0.41 0.00 0.00 173.24 175.07 2jnb h LYS 86 N 6.84 0.83 -0.87 12.44 2.10 -1.94 -3.09 116.57 132.89 2jnb h LYS 86 Ca -0.11 -0.55 0.20 0.00 -2.00 0.00 0.00 60.65 58.20 2jnb h LYS 86 Cb 1.18 0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 32.53 2jnb h LYS 86 CO -0.15 1.18 0.58 1.96 -2.00 0.00 0.00 179.45 181.02 2jnb h GLN 87 N 0.63 0.31 -0.69 0.07 4.20 -1.96 0.15 115.11 117.81 2jnb h GLN 87 Ca 0.00 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.74 2jnb h GLN 87 Cb 1.19 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 2jnb h GLN 87 CO 0.13 0.21 0.46 0.00 -0.67 0.00 0.00 178.83 178.95 2jnb h ALA 88 N 1.61 1.67 -0.15 3.87 0.00 -1.96 -2.39 119.26 121.91 2jnb h ALA 88 Ca 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2jnb h ALA 88 Cb 1.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2jnb h ALA 88 CO -0.14 0.24 0.02 1.25 0.00 0.00 0.00 179.25 180.62 2jnb h LEU 89 N 0.77 0.25 -2.09 0.00 6.46 -0.85 0.24 115.31 120.09 2jnb h LEU 89 Ca 0.29 -0.28 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 2jnb h LEU 89 Cb 0.17 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2jnb h LEU 89 CO -0.09 0.46 0.31 1.23 -0.62 0.00 0.00 178.44 179.74 2jnb h GLY 90 N 0.02 0.00 0.46 3.75 0.00 -1.38 0.15 103.07 106.07 2jnb h GLY 90 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.01 2jnb h GLY 90 CO 0.00 0.00 -2.11 -2.13 0.00 0.00 0.00 176.54 172.30 2jnb n ARG 91 N -3.91 0.71 0.22 4.80 0.63 -1.04 -1.34 116.66 116.73 2jnb n ARG 91 Ca 0.05 0.22 0.08 0.00 -0.92 0.00 0.00 57.85 57.27 2jnb n ARG 91 Cb 0.48 -1.66 0.51 0.00 0.45 0.00 0.00 32.46 32.24 2jnb n ARG 91 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jnb h ALA 92 N 0.25 1.27 0.11 5.13 0.00 0.33 -2.88 119.26 123.47 2jnb h ALA 92 Ca -0.46 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 53.93 2jnb h ALA 92 Cb 2.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2jnb h ALA 92 CO 0.04 0.32 -1.46 0.00 0.00 0.00 0.00 179.25 178.14 2jnb n GLY 94 N 1.62 1.75 3.85 0.00 0.00 -1.09 -4.76 105.19 106.56 2jnb n GLY 94 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2jnb n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jnb s VAL 95 N -2.00 2.21 -0.04 1.61 -7.23 -0.45 -5.04 120.40 109.47 2jnb s VAL 95 Ca 0.00 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 2jnb s VAL 95 Cb 0.00 -2.70 -0.31 0.00 0.56 0.00 0.00 36.38 33.93 2jnb s VAL 95 CO 0.00 0.00 0.69 0.28 -0.31 0.00 0.00 175.10 175.76 2jnb h SER 96 N 1.04 0.61 -2.16 4.85 0.02 -2.00 -3.40 113.55 112.51 2jnb h SER 96 Ca -0.40 -0.91 -0.51 0.00 -0.84 0.00 0.00 61.79 59.13 2jnb h SER 96 Cb 1.27 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 2jnb h SER 96 CO 0.61 1.76 -0.54 -0.13 -1.14 0.00 0.00 176.83 177.39 2jnb s ARG 97 N -2.58 2.78 0.72 3.45 0.52 -1.26 -4.97 118.95 117.60 2jnb s ARG 97 Ca -0.15 -1.15 -0.13 0.00 -0.52 0.00 0.00 55.73 53.78 2jnb s ARG 97 Cb 0.05 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 33.08 2jnb s ARG 97 CO 0.86 0.37 1.10 -1.25 0.02 0.00 0.00 175.30 176.40 2jnb s PRO 98 N -3.82 2.53 0.06 3.54 0.04 -1.26 -4.47 135.00 131.62 2jnb s PRO 98 Ca 0.33 1.28 0.08 0.00 0.04 0.00 0.00 61.00 62.74 2jnb s PRO 98 Cb -0.07 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2jnb s PRO 98 CO 0.24 -1.45 -0.20 0.54 0.04 0.00 0.00 177.00 176.17 2jnb s VAL 99 N -2.61 2.65 -0.08 -0.36 0.11 -1.26 -4.87 120.40 113.97 2jnb s VAL 99 Ca 0.64 -1.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 2jnb s VAL 99 Cb -0.19 -2.13 -0.00 0.00 -1.53 0.00 0.00 36.38 32.53 2jnb s VAL 99 CO 0.49 0.28 -0.02 0.40 -3.33 0.00 0.00 175.10 172.91 2jnb h ILE 100 N 3.91 0.00 -3.26 7.04 2.04 -1.93 -3.46 117.51 121.86 2jnb h ILE 100 Ca -0.48 -0.71 -0.59 0.00 1.00 0.00 0.00 64.86 64.07 2jnb h ILE 100 Cb 1.16 0.00 -0.35 0.00 -0.74 0.00 0.00 36.82 36.89 2jnb h ILE 100 CO 0.46 0.00 -0.84 0.00 0.00 0.00 0.00 178.15 177.77 2jnb s ALA 101 N -2.70 1.75 0.14 1.87 0.00 -1.26 -3.54 121.76 118.03 2jnb s ALA 101 Ca -0.02 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.26 2jnb s ALA 101 Cb 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2jnb s ALA 101 CO 0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 175.76 175.56 2jnb s SER 103 N -2.44 3.17 -0.31 0.00 0.15 -0.80 -2.47 113.70 110.99 2jnb s SER 103 Ca 0.21 -0.54 -0.12 0.00 0.70 0.00 0.00 55.95 56.19 2jnb s SER 103 Cb -0.10 -1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 2jnb s SER 103 CO 0.12 0.16 0.24 -0.69 1.20 0.00 0.00 173.24 174.27 2jnb s VAL 104 N 0.34 5.28 0.13 4.45 1.01 -0.71 -3.68 120.40 127.22 2jnb s VAL 104 Ca -0.18 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2jnb s VAL 104 Cb -0.18 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2jnb s VAL 104 CO 0.09 0.11 0.17 0.42 0.00 0.00 0.00 175.10 175.88 2jnb s THR 105 N 1.80 4.78 0.06 3.92 -4.23 -1.26 -0.68 115.64 120.02 2jnb s THR 105 Ca 0.08 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 2jnb s THR 105 Cb -0.17 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 2jnb s THR 105 CO 0.11 -0.03 0.15 -0.51 -0.54 0.00 0.00 174.62 173.80 2jnb s ILE 106 N -1.65 5.00 -0.34 2.99 2.07 -1.24 -4.94 121.20 123.10 2jnb s ILE 106 Ca 0.32 -0.53 -0.04 0.00 -1.41 0.00 0.00 60.65 58.99 2jnb s ILE 106 Cb -0.11 -3.41 0.06 0.00 0.13 0.00 0.00 42.46 39.13 2jnb s ILE 106 CO 0.25 0.16 0.10 -0.75 -1.91 0.00 0.00 174.94 172.79 2jnb s LYS 107 N -2.36 2.45 0.04 3.50 2.47 -1.26 -5.08 119.74 119.50 2jnb s LYS 107 Ca 0.31 -1.34 -0.30 0.00 -1.56 0.00 0.00 55.97 53.08 2jnb s LYS 107 Cb -0.13 -3.41 -0.05 0.00 -1.46 0.00 0.00 37.83 32.78 2jnb s LYS 107 CO 0.24 -0.74 1.24 -1.83 0.16 0.00 0.00 175.35 174.42 2jnb s GLU 108 N 1.31 4.39 0.00 4.03 -1.05 -1.26 -3.53 118.70 122.59 2jnb s GLU 108 Ca -0.01 1.81 0.00 0.00 -0.15 0.00 0.00 54.97 56.62 2jnb s GLU 108 Cb -0.20 -3.40 0.00 0.00 -0.44 0.00 0.00 34.13 30.09 2jnb s GLU 108 CO 0.00 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.28 2jnb n GLY 109 N 3.32 1.51 3.16 -3.83 0.00 -1.26 -5.11 105.19 102.98 2jnb n GLY 109 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 2jnb n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnb s SER 110 N -2.00 0.13 0.42 1.61 0.01 -1.23 -5.04 113.70 107.60 2jnb s SER 110 Ca 0.00 -0.52 0.20 0.00 1.31 0.00 0.00 55.95 56.94 2jnb s SER 110 Cb 0.00 0.27 0.92 0.00 0.21 0.00 0.00 66.02 67.42 2jnb s SER 110 CO 0.00 -0.58 1.86 0.06 0.41 0.00 0.00 173.24 174.99 2jnb h GLN 111 N 3.37 0.00 -0.27 12.44 -0.00 -1.99 -2.77 115.11 125.89 2jnb h GLN 111 Ca -0.33 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.40 2jnb h GLN 111 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.66 2jnb h GLN 111 CO 0.52 0.29 0.28 1.25 -0.00 0.00 0.00 178.83 181.16 2jnb h LEU 112 N 0.00 0.00 -1.99 0.06 5.85 -1.96 -0.61 115.31 116.67 2jnb h LEU 112 Ca -0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 2jnb h LEU 112 Cb 0.67 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2jnb h LEU 112 CO 0.04 0.00 0.55 0.07 -0.34 0.00 0.00 178.44 178.76 2jnb h LYS 113 N 0.00 0.01 0.16 1.25 2.10 -1.71 -0.16 116.57 118.22 2jnb h LYS 113 Ca 0.13 -0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.53 2jnb h LYS 113 Cb 0.68 -0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.03 2jnb h LYS 113 CO -0.00 0.01 -1.06 0.37 -2.00 0.00 0.00 179.45 176.76 2jnb h GLN 114 N 0.01 0.44 0.20 0.07 4.15 -1.34 -3.10 115.11 115.54 2jnb h GLN 114 Ca 0.37 -0.69 0.01 0.00 0.77 0.00 0.00 58.65 59.11 2jnb h GLN 114 Cb 1.45 0.25 -0.04 0.00 0.21 0.00 0.00 27.48 29.35 2jnb h GLN 114 CO -0.01 1.31 -0.37 0.37 -1.93 0.00 0.00 178.83 178.21 2jnb h GLN 115 N -0.09 -0.63 -0.57 1.69 -0.00 -1.13 -0.88 115.11 113.51 2jnb h GLN 115 Ca -0.18 0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.59 2jnb h GLN 115 Cb 1.82 0.14 -0.03 0.00 0.00 0.00 0.00 27.48 29.40 2jnb h GLN 115 CO 0.20 -0.42 0.38 0.82 0.00 0.00 0.00 178.83 179.81 2jnb h ILE 116 N -0.65 0.96 -0.01 2.39 2.04 -1.54 -0.14 117.51 120.55 2jnb h ILE 116 Ca 0.01 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2jnb h ILE 116 Cb 0.65 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2jnb h ILE 116 CO -0.17 0.09 -0.34 1.56 0.00 0.00 0.00 178.15 179.28 2jnb h GLN 117 N 0.49 0.02 -0.21 2.37 4.20 -1.22 0.52 115.11 121.28 2jnb h GLN 117 Ca 0.25 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 2jnb h GLN 117 Cb 0.36 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2jnb h GLN 117 CO -0.07 0.37 0.12 1.03 -0.67 0.00 0.00 178.83 179.61 2jnb h SER 118 N 0.02 0.26 1.05 1.46 0.87 0.32 -2.90 113.55 114.64 2jnb h SER 118 Ca 0.00 -0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.30 2jnb h SER 118 Cb 0.62 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 2jnb h SER 118 CO 0.05 0.25 -0.97 -0.29 -0.53 0.00 0.00 176.83 175.33 2jnb h ILE 119 N 0.25 1.42 -0.84 2.23 2.10 -1.50 -3.31 117.51 117.86 2jnb h ILE 119 Ca 0.08 -3.06 0.15 0.00 1.08 0.00 0.00 64.86 63.10 2jnb h ILE 119 Cb 0.04 2.70 -0.09 0.00 -1.09 0.00 0.00 36.82 38.37 2jnb h ILE 119 CO -0.01 0.81 0.43 -0.61 -1.08 0.00 0.00 178.15 177.69 2jnb h GLN 120 N 0.00 0.60 0.00 2.19 4.15 -0.71 0.22 115.11 121.56 2jnb h GLN 120 Ca -0.04 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 2jnb h GLN 120 Cb 1.70 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.25 2jnb h GLN 120 CO 0.11 0.40 -0.28 -0.56 -1.93 0.00 0.00 178.83 176.56 2jnb h GLN 121 N 0.62 0.00 0.21 1.69 -0.00 -1.60 -1.81 115.11 114.21 2jnb h GLN 121 Ca 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.11 2jnb h GLN 121 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.12 2jnb h GLN 121 CO -0.36 0.28 -0.15 1.03 -0.00 0.00 0.00 178.83 179.63 2jnb h SER 122 N 0.00 -0.38 -0.02 0.06 0.87 -0.69 -0.20 113.55 113.19 2jnb h SER 122 Ca -0.00 0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 2jnb h SER 122 Cb 0.57 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2jnb h SER 122 CO 0.04 -0.23 -0.68 0.40 -0.53 0.00 0.00 176.83 175.82 2jnb h ILE 123 N -0.36 1.31 -0.73 2.23 2.04 -1.44 -2.94 117.51 117.62 2jnb h ILE 123 Ca -0.01 -1.95 0.05 0.00 1.00 0.00 0.00 64.86 63.95 2jnb h ILE 123 Cb 0.31 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 2jnb h ILE 123 CO 0.00 0.61 0.44 -0.08 0.00 0.00 0.00 178.15 179.12 2jnb h GLU 124 N 0.46 0.80 -0.10 2.37 4.81 -1.17 -1.28 114.58 120.47 2jnb h GLU 124 Ca -0.02 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 2jnb h GLU 124 Cb 1.28 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2jnb h GLU 124 CO 0.13 0.53 -0.37 0.00 -0.73 0.00 0.00 179.01 178.57 2jnb h ARG 125 N 0.82 0.21 -0.32 1.92 3.08 -1.03 -2.67 114.38 116.39 2jnb h ARG 125 Ca 0.31 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 2jnb h ARG 125 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2jnb h ARG 125 CO -0.16 0.55 -0.28 1.25 -1.07 0.00 0.00 179.97 180.26 2jnb h LEU 126 N 0.18 0.67 0.56 3.04 6.46 -1.09 -3.28 115.31 121.84 2jnb h LEU 126 Ca 0.02 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2jnb h LEU 126 Cb 0.74 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2jnb h LEU 126 CO 0.06 0.92 -0.27 -0.07 -0.62 0.00 0.00 178.44 178.46 2jnb h LEU 127 N 0.56 -0.63 -1.76 2.25 3.38 -1.05 -3.49 115.31 114.57 2jnb h LEU 127 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jnb h LEU 127 Cb 0.77 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2jnb h LEU 127 CO 0.06 -0.28 0.00 0.52 0.09 0.00 0.00 178.44 178.84