#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnb n THR 2 N 0.00 2.89 -2.34 1.12 -2.24 -1.26 -4.55 114.28 107.91 2jnb n THR 2 Ca 0.00 -3.96 -0.01 0.00 -2.27 0.00 0.00 64.05 57.81 2jnb n THR 2 Cb 0.00 -1.17 0.03 0.00 -2.10 0.00 0.00 70.33 67.09 2jnb n THR 2 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jnb n GLU 3 N -0.73 0.36 -4.50 -0.78 0.28 -1.26 -5.16 120.64 108.86 2jnb n GLU 3 Ca 0.49 -0.41 -0.23 0.00 -0.16 0.00 0.00 57.16 56.85 2jnb n GLU 3 Cb 0.80 0.24 -0.10 0.00 1.43 0.00 0.00 31.44 33.80 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jnb s ALA 4 N 0.03 2.62 -0.95 -1.84 0.00 -1.26 -4.89 121.76 115.47 2jnb s ALA 4 Ca 0.02 -1.93 -0.09 0.00 0.00 0.00 0.00 51.96 49.97 2jnb s ALA 4 Cb 0.12 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 2jnb s ALA 4 CO -0.03 -0.27 0.76 -3.47 0.00 0.00 0.00 175.76 172.74 2jnb n ASP 5 N -0.82 -6.24 -3.86 0.00 -0.08 -1.26 -5.01 116.55 99.28 2jnb n ASP 5 Ca -0.04 -0.67 -0.18 0.00 -1.51 0.00 0.00 54.79 52.39 2jnb n ASP 5 Cb 0.66 -4.01 -0.16 0.00 2.34 0.00 0.00 41.12 39.95 2jnb n ASP 5 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2jnb s VAL 6 N -3.24 0.34 0.08 5.18 1.01 -1.26 -5.15 120.40 117.36 2jnb s VAL 6 Ca 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2jnb s VAL 6 Cb -0.07 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2jnb s VAL 6 CO 0.81 0.17 -0.05 0.54 0.00 0.00 0.00 175.10 176.58 2jnb s ASN 7 N 0.90 0.91 0.38 3.32 4.22 -1.26 -5.04 114.94 118.38 2jnb s ASN 7 Ca -0.10 -1.01 0.28 0.00 -2.14 0.00 0.00 52.86 49.89 2jnb s ASN 7 Cb -0.13 0.13 1.16 0.00 1.28 0.00 0.00 41.25 43.69 2jnb s ASN 7 CO -0.01 -0.51 1.83 1.55 -2.04 0.00 0.00 177.10 177.92 2jnb h PRO 8 N 3.02 0.00 -2.91 3.55 0.13 -2.01 -3.46 132.00 130.31 2jnb h PRO 8 Ca -0.35 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.41 2jnb h PRO 8 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2jnb h PRO 8 CO 0.65 0.00 -0.46 1.17 -0.23 0.00 0.00 178.00 179.13 2jnb n LYS 9 N -2.59 -1.77 -2.40 0.86 4.81 -1.26 -1.14 118.16 114.67 2jnb n LYS 9 Ca 0.01 0.93 -0.18 0.00 -0.87 0.00 0.00 58.31 58.21 2jnb n LYS 9 Cb 0.26 -5.53 -0.01 0.00 0.02 0.00 0.00 35.03 29.76 2jnb n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jnb n ALA 10 N -1.59 -0.67 -2.39 3.14 0.00 -1.26 -4.97 120.51 112.77 2jnb n ALA 10 Ca -0.22 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 2jnb n ALA 10 Cb 0.66 -1.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.87 1.92 1.05 0.00 1.51 -0.30 -4.34 117.35 114.32 2jnb s TYR 11 Ca 0.00 -0.49 -0.14 0.00 -1.01 0.00 0.00 57.07 55.43 2jnb s TYR 11 Cb 0.00 -0.87 0.22 0.00 -0.11 0.00 0.00 41.96 41.20 2jnb s TYR 11 CO 0.00 0.48 1.10 -1.25 -1.11 0.00 0.00 175.55 174.77 2jnb s PRO 12 N -3.60 -0.02 0.05 -1.71 0.04 -1.26 -4.92 135.00 123.59 2jnb s PRO 12 Ca 0.25 0.37 0.06 0.00 0.04 0.00 0.00 61.00 61.72 2jnb s PRO 12 Cb -0.02 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2jnb s PRO 12 CO 0.10 -3.00 -0.17 -1.17 0.04 0.00 0.00 177.00 172.79 2jnb s LEU 13 N -6.60 2.20 -0.15 -3.56 2.96 -1.26 -3.87 118.68 108.41 2jnb s LEU 13 Ca 0.67 -0.53 -0.17 0.00 -0.22 0.00 0.00 54.13 53.87 2jnb s LEU 13 Cb -0.17 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 2jnb s LEU 13 CO 0.57 0.06 0.42 0.00 -1.32 0.00 0.00 176.35 176.09 2jnb s ALA 14 N -0.94 3.52 1.26 5.97 0.00 -1.25 -5.07 121.76 125.25 2jnb s ALA 14 Ca 0.04 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 51.49 2jnb s ALA 14 Cb -0.09 -2.59 0.31 0.00 0.00 0.00 0.00 23.12 20.75 2jnb s ALA 14 CO 0.02 -0.05 1.03 0.16 0.00 0.00 0.00 175.76 176.92 2jnb s ASP 15 N 0.68 0.36 0.24 0.00 -4.77 -1.26 -4.54 116.67 107.37 2jnb s ASP 15 Ca 0.22 0.88 -0.07 0.00 -3.30 0.00 0.00 52.55 50.29 2jnb s ASP 15 Cb -0.15 -1.29 0.22 0.00 -1.09 0.00 0.00 42.92 40.62 2jnb s ASP 15 CO 0.08 -4.50 1.86 0.00 0.70 0.00 0.00 175.17 173.32 2jnb h ALA 16 N -2.83 1.18 -0.05 2.11 0.00 -1.99 0.24 119.26 117.93 2jnb h ALA 16 Ca -0.48 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 2jnb h ALA 16 Cb 1.32 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2jnb h ALA 16 CO 0.37 0.67 -0.46 0.45 0.00 0.00 0.00 179.25 180.28 2jnb h HIS 17 N 1.27 0.14 0.20 0.00 -0.00 -2.01 -2.71 115.15 112.04 2jnb h HIS 17 Ca 0.32 -0.04 -0.32 0.00 -0.00 0.00 0.00 60.37 60.33 2jnb h HIS 17 Cb 0.01 -0.03 0.04 0.00 -0.00 0.00 0.00 27.41 27.42 2jnb h HIS 17 CO 0.01 0.56 -1.38 1.25 -0.00 0.00 0.00 177.93 178.37 2jnb h LEU 18 N 0.10 0.87 -1.46 2.43 7.12 -1.72 -3.29 115.31 119.36 2jnb h LEU 18 Ca 0.00 -0.87 -0.01 0.00 0.13 0.00 0.00 57.88 57.14 2jnb h LEU 18 Cb 0.85 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 2jnb h LEU 18 CO 0.07 1.67 0.26 0.71 -0.13 0.00 0.00 178.44 181.02 2jnb h THR 19 N 0.21 1.14 -0.94 1.05 1.35 -0.48 -2.17 112.91 113.07 2jnb h THR 19 Ca -0.23 -0.34 0.13 0.00 -0.55 0.00 0.00 66.41 65.42 2jnb h THR 19 Cb 2.06 0.50 -0.09 0.00 -1.73 0.00 0.00 68.15 68.90 2jnb h THR 19 CO 0.26 0.15 0.56 0.11 -0.25 0.00 0.00 175.52 176.36 2jnb h LYS 20 N 0.64 0.84 -0.05 4.72 1.57 -1.55 0.21 116.57 122.96 2jnb h LYS 20 Ca 0.17 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.66 2jnb h LYS 20 Cb 0.00 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.13 2jnb h LYS 20 CO -0.03 0.56 -0.92 0.87 -0.57 0.00 0.00 179.45 179.36 2jnb h LYS 21 N 0.87 0.63 -0.36 3.15 6.56 -1.54 -3.21 116.57 122.67 2jnb h LYS 21 Ca 0.48 -0.61 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 2jnb h LYS 21 Cb 0.53 0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.33 2jnb h LYS 21 CO -0.29 1.22 0.14 1.25 -2.06 0.00 0.00 179.45 179.71 2jnb h LEU 22 N 0.38 0.50 -1.66 2.94 5.85 -0.86 -2.51 115.31 119.96 2jnb h LEU 22 Ca -0.09 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.59 2jnb h LEU 22 Cb 1.55 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 2jnb h LEU 22 CO 0.18 0.54 0.44 -0.07 -0.34 0.00 0.00 178.44 179.19 2jnb h LEU 23 N 0.44 0.33 -0.98 2.25 -0.00 -0.69 0.76 115.31 117.42 2jnb h LEU 23 Ca 0.12 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.91 2jnb h LEU 23 Cb 0.20 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2jnb h LEU 23 CO -0.01 0.19 -0.37 -0.78 -0.00 0.00 0.00 178.44 177.47 2jnb h ASP 24 N 0.36 0.28 -0.99 -0.43 1.82 -1.45 -2.97 116.42 113.04 2jnb h ASP 24 Ca 0.31 -0.11 0.12 0.00 -0.39 0.00 0.00 57.03 56.96 2jnb h ASP 24 Cb 0.73 -0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.58 2jnb h ASP 24 CO -0.09 0.63 0.62 0.25 -1.61 0.00 0.00 179.24 179.04 2jnb h LEU 25 N 0.23 0.91 0.29 2.28 7.12 -0.68 0.10 115.31 125.56 2jnb h LEU 25 Ca 0.03 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 2jnb h LEU 25 Cb 0.76 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2jnb h LEU 25 CO 0.06 0.49 -0.14 0.58 -0.13 0.00 0.00 178.44 179.30 2jnb h VAL 26 N 0.99 0.72 -0.10 1.05 2.07 -1.54 0.20 116.25 119.64 2jnb h VAL 26 Ca 0.49 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.91 2jnb h VAL 26 Cb 0.46 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2jnb h VAL 26 CO -0.26 0.01 -0.13 -0.61 0.02 0.00 0.00 177.57 176.60 2jnb h GLN 27 N -0.42 0.16 -0.01 1.57 4.15 -1.48 -2.13 115.11 116.95 2jnb h GLN 27 Ca -0.04 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.18 2jnb h GLN 27 Cb 0.32 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2jnb h GLN 27 CO 0.07 0.30 -0.77 1.96 -1.93 0.00 0.00 178.83 178.45 2jnb h GLN 28 N 0.15 0.12 0.10 1.69 4.20 -0.45 -2.51 115.11 118.40 2jnb h GLN 28 Ca 0.03 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2jnb h GLN 28 Cb 0.33 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2jnb h GLN 28 CO 0.02 0.83 -0.05 1.03 -0.67 0.00 0.00 178.83 179.99 2jnb h SER 29 N 0.07 -0.11 0.26 1.46 0.87 0.01 -3.12 113.55 112.99 2jnb h SER 29 Ca -0.02 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.12 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 0.36 -0.15 0.00 -0.53 0.00 0.00 176.83 176.62 2jnb h ASN 31 N 0.00 0.00 -0.76 0.00 -1.24 -1.39 -1.46 115.58 110.74 2jnb h ASN 31 Ca -0.00 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.73 2jnb h ASN 31 Cb 0.31 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 39.20 2jnb h ASN 31 CO 0.02 0.12 0.36 0.00 -1.29 0.00 0.00 177.43 176.63 2jnb n TYR 32 N -4.05 2.45 -2.97 0.67 9.36 -0.73 -4.88 117.16 117.01 2jnb n TYR 32 Ca -0.02 -1.30 -0.22 0.00 3.32 0.00 0.00 57.90 59.68 2jnb n TYR 32 Cb 0.20 -0.72 0.02 0.00 -0.63 0.00 0.00 39.34 38.21 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2jnb n LYS 33 N -0.37 -4.15 -4.17 2.98 5.02 -0.55 -4.98 118.16 111.95 2jnb n LYS 33 Ca 0.43 0.84 -0.18 0.00 -2.02 0.00 0.00 58.31 57.38 2jnb n LYS 33 Cb 1.39 -5.65 -0.15 0.00 -0.02 0.00 0.00 35.03 30.60 2jnb n LYS 33 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jnb s GLN 34 N -5.64 0.62 -0.02 1.97 -0.21 -0.96 -5.02 119.66 110.41 2jnb s GLN 34 Ca 0.27 -0.14 -0.29 0.00 0.02 0.00 0.00 55.36 55.21 2jnb s GLN 34 Cb -0.12 -0.64 0.10 0.00 1.00 0.00 0.00 33.01 33.35 2jnb s GLN 34 CO 0.33 0.01 0.98 -0.48 -2.12 0.00 0.00 175.29 174.01 2jnb s LEU 35 N 0.43 -0.28 -0.28 2.90 0.05 -1.26 -1.71 118.68 118.53 2jnb s LEU 35 Ca -0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 54.13 54.05 2jnb s LEU 35 Cb -0.09 1.89 0.17 0.00 -2.05 0.00 0.00 46.19 46.12 2jnb s LEU 35 CO -0.00 -0.57 0.53 -0.60 -0.55 0.00 0.00 176.35 175.16 2jnb s ARG 36 N -2.98 0.50 -0.56 1.48 6.06 -1.23 -4.97 118.95 117.26 2jnb s ARG 36 Ca 0.07 0.87 0.04 0.00 -2.50 0.00 0.00 55.73 54.21 2jnb s ARG 36 Cb -0.01 0.25 0.16 0.00 0.06 0.00 0.00 34.95 35.42 2jnb s ARG 36 CO -0.06 -0.63 0.39 0.15 -2.50 0.00 0.00 175.30 172.65 2jnb s LYS 37 N 2.77 1.73 -0.26 5.12 -0.14 -1.26 -2.16 119.74 125.55 2jnb s LYS 37 Ca 0.18 -2.69 -0.27 0.00 -1.36 0.00 0.00 55.97 51.83 2jnb s LYS 37 Cb -0.15 -2.57 0.15 0.00 -1.68 0.00 0.00 37.83 33.58 2jnb s LYS 37 CO -0.20 -1.29 1.19 0.20 -0.76 0.00 0.00 175.35 174.49 2jnb s GLY 38 N -0.62 -0.00 0.07 -3.33 0.00 0.84 -4.98 107.32 99.31 2jnb s GLY 38 Ca 0.26 2.77 -0.15 0.00 0.00 0.00 0.00 44.72 47.60 2jnb s GLY 38 CO -0.14 1.52 1.21 0.00 0.00 0.00 0.00 173.10 175.69 2jnb h ALA 39 N 3.10 0.18 0.00 3.20 0.00 -1.96 -2.03 119.26 121.75 2jnb h ALA 39 Ca -0.22 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 53.92 2jnb h ALA 39 Cb 1.18 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2jnb h ALA 39 CO 0.20 0.61 -0.64 -0.97 0.00 0.00 0.00 179.25 178.45 2jnb h ASN 40 N 0.35 0.00 0.79 0.00 -1.24 -1.96 -3.10 115.58 110.43 2jnb h ASN 40 Ca -0.09 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.72 2jnb h ASN 40 Cb 1.52 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.55 2jnb h ASN 40 CO 0.17 0.64 -0.91 -0.33 -1.29 0.00 0.00 177.43 175.72 2jnb h GLU 41 N 0.00 0.07 -0.78 6.67 4.39 -1.95 -3.22 114.58 119.76 2jnb h GLU 41 Ca -0.01 -0.08 0.19 0.00 0.34 0.00 0.00 59.36 59.80 2jnb h GLU 41 Cb 1.14 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 2jnb h GLU 41 CO 0.08 0.92 0.53 0.00 -1.16 0.00 0.00 179.01 179.39 2jnb h ALA 42 N 1.04 2.40 0.00 3.43 0.00 -1.28 0.27 119.26 125.12 2jnb h ALA 42 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2jnb h ALA 42 Cb 1.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2jnb h ALA 42 CO 0.13 -0.62 -0.73 1.79 0.00 0.00 0.00 179.25 179.81 2jnb h THR 43 N 0.22 0.81 -0.20 0.00 1.35 -1.67 -3.31 112.91 110.11 2jnb h THR 43 Ca 0.38 -2.20 -0.21 0.00 -0.55 0.00 0.00 66.41 63.83 2jnb h THR 43 Cb 1.17 2.34 0.01 0.00 -1.73 0.00 0.00 68.15 69.94 2jnb h THR 43 CO -0.08 0.46 -0.69 0.11 -0.25 0.00 0.00 175.52 175.07 2jnb h LYS 44 N 0.00 0.79 0.30 4.72 1.57 -0.57 -2.55 116.57 120.82 2jnb h LYS 44 Ca -0.04 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 2jnb h LYS 44 Cb 1.44 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.82 2jnb h LYS 44 CO 0.06 1.20 -0.49 1.79 -0.57 0.00 0.00 179.45 181.44 2jnb h THR 45 N 0.56 0.05 -0.03 -0.16 1.35 -1.35 -1.14 112.91 112.20 2jnb h THR 45 Ca -0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.81 2jnb h THR 45 Cb 1.30 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 2jnb h THR 45 CO 0.14 0.00 -0.11 0.17 -0.25 0.00 0.00 175.52 175.47 2jnb h LEU 46 N -0.85 0.04 -1.77 3.87 8.10 -1.68 -1.35 115.31 121.67 2jnb h LEU 46 Ca -0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 2jnb h LEU 46 Cb 0.79 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 41.00 2jnb h LEU 46 CO -0.17 0.16 -0.16 -1.13 -4.11 0.00 0.00 178.44 173.03 2jnb h ASN 47 N 0.05 0.00 0.81 0.17 -1.24 -0.87 -2.31 115.58 112.18 2jnb h ASN 47 Ca 0.01 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.89 2jnb h ASN 47 Cb 0.22 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 2jnb h ASN 47 CO 0.01 0.16 -1.28 -0.09 -1.29 0.00 0.00 177.43 174.94 2jnb h ARG 48 N 0.00 0.00 -0.04 6.67 2.43 -0.13 -3.49 114.38 119.82 2jnb h ARG 48 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jnb h ARG 48 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2jnb h ARG 48 CO 0.02 0.24 0.00 0.41 -1.51 0.00 0.00 179.97 179.13 2jnb n GLY 49 N 1.34 0.80 0.44 2.80 0.00 -0.87 -5.02 105.19 104.68 2jnb n GLY 49 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.06 0.00 -2.96 -0.61 -6.64 -1.11 -5.02 119.36 102.95 2jnb n ILE 50 Ca 0.00 0.00 -0.44 0.00 -1.77 0.00 0.00 62.75 60.54 2jnb n ILE 50 Cb 0.02 0.45 -0.03 0.00 -1.44 0.00 0.00 39.64 38.64 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 -0.69 6.61 -0.09 7.28 0.15 -1.25 -3.79 113.70 121.91 2jnb s SER 51 Ca 0.00 -2.03 0.11 0.00 0.70 0.00 0.00 55.95 54.73 2jnb s SER 51 Cb 0.00 -2.38 -0.16 0.00 -1.71 0.00 0.00 66.02 61.77 2jnb s SER 51 CO 0.00 -1.04 0.10 -0.62 1.20 0.00 0.00 173.24 172.88 2jnb n GLU 52 N 6.38 1.64 -4.39 5.44 4.71 -1.26 -4.91 120.64 128.26 2jnb n GLU 52 Ca 0.21 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.16 57.13 2jnb n GLU 52 Cb 0.49 -1.31 -0.15 0.00 -1.01 0.00 0.00 31.44 29.45 2jnb n GLU 52 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2jnb s PHE 53 N -2.44 0.92 -0.12 -0.32 0.08 -1.19 -4.75 117.98 110.16 2jnb s PHE 53 Ca -0.06 -0.21 -0.06 0.00 0.12 0.00 0.00 56.93 56.72 2jnb s PHE 53 Cb 0.05 -0.64 0.05 0.00 -0.57 0.00 0.00 43.02 41.91 2jnb s PHE 53 CO 0.50 -0.07 0.28 0.42 -0.10 0.00 0.00 175.22 176.25 2jnb s ILE 54 N 0.07 -0.13 -0.04 0.64 1.01 -1.20 -0.90 121.20 120.65 2jnb s ILE 54 Ca -0.01 0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.85 2jnb s ILE 54 Cb -0.07 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 2jnb s ILE 54 CO 0.00 0.07 -0.16 -0.69 0.00 0.00 0.00 174.94 174.16 2jnb s VAL 55 N 1.55 1.33 0.08 2.92 1.01 0.81 -3.40 120.40 124.69 2jnb s VAL 55 Ca -0.07 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2jnb s VAL 55 Cb -0.10 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 2jnb s VAL 55 CO -0.09 0.39 0.17 -0.04 0.00 0.00 0.00 175.10 175.52 2jnb s MET 56 N 0.05 0.80 0.28 2.72 -1.94 -1.09 -1.97 119.30 118.15 2jnb s MET 56 Ca -0.03 -0.94 -0.28 0.00 -1.71 0.00 0.00 55.69 52.73 2jnb s MET 56 Cb -0.11 0.32 -0.09 0.00 2.01 0.00 0.00 34.83 36.96 2jnb s MET 56 CO 0.02 -0.24 0.96 0.00 -0.01 0.00 0.00 175.02 175.75 2jnb s ALA 57 N -3.69 3.28 0.53 3.03 0.00 -1.24 -3.63 121.76 120.05 2jnb s ALA 57 Ca 0.04 0.62 0.18 0.00 0.00 0.00 0.00 51.96 52.80 2jnb s ALA 57 Cb 0.04 -3.22 1.35 0.00 0.00 0.00 0.00 23.12 21.30 2jnb s ALA 57 CO -0.10 0.14 2.16 0.00 0.00 0.00 0.00 175.76 177.95 2jnb h ALA 58 N 3.66 1.89 -0.13 0.00 0.00 -1.90 -1.89 119.26 120.89 2jnb h ALA 58 Ca -0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2jnb h ALA 58 Cb 1.20 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2jnb h ALA 58 CO 0.66 0.02 -0.20 -3.47 0.00 0.00 0.00 179.25 176.26 2jnb n ASP 59 N -4.40 2.35 -4.67 0.00 2.03 -1.26 -4.88 116.55 105.73 2jnb n ASP 59 Ca -0.03 -3.57 -0.42 0.00 0.52 0.00 0.00 54.79 51.29 2jnb n ASP 59 Cb 0.10 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jnb s ALA 60 N -3.11 3.55 0.29 -1.67 0.00 -0.71 -5.05 121.76 115.07 2jnb s ALA 60 Ca 0.39 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.57 2jnb s ALA 60 Cb 0.36 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 2jnb s ALA 60 CO -0.01 -0.77 -0.05 -1.21 0.00 0.00 0.00 175.76 173.72 2jnb s GLU 61 N 2.46 2.07 0.36 0.00 2.02 -1.26 -3.89 118.70 120.45 2jnb s GLU 61 Ca 0.41 -1.60 -0.27 0.00 0.02 0.00 0.00 54.97 53.53 2jnb s GLU 61 Cb -0.16 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.98 2jnb s GLU 61 CO 0.11 0.29 1.21 -1.25 0.02 0.00 0.00 175.26 175.64 2jnb s PRO 62 N -3.64 4.22 0.01 0.39 0.04 -1.26 -4.92 135.00 129.84 2jnb s PRO 62 Ca 0.32 1.96 0.17 0.00 0.04 0.00 0.00 61.00 63.49 2jnb s PRO 62 Cb -0.04 -2.87 -0.18 0.00 0.04 0.00 0.00 34.50 31.45 2jnb s PRO 62 CO 0.18 -0.21 0.68 -0.11 0.04 0.00 0.00 177.00 177.58 2jnb n LEU 63 N 0.46 0.68 -0.01 -3.56 7.94 -1.25 -3.95 117.00 117.30 2jnb n LEU 63 Ca 0.02 0.30 0.21 0.00 -1.11 0.00 0.00 56.01 55.44 2jnb n LEU 63 Cb 0.45 0.14 0.70 0.00 0.53 0.00 0.00 43.42 45.23 2jnb n LEU 63 CO 0.54 0.21 1.19 -0.33 -1.11 0.00 0.00 177.39 177.89 2jnb h GLU 64 N 0.00 0.00 0.00 1.96 5.08 -1.99 0.96 114.58 120.58 2jnb h GLU 64 Ca -0.22 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.94 2jnb h GLU 64 Cb 1.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.90 2jnb h GLU 64 CO 0.04 0.00 -1.34 0.82 -1.00 0.00 0.00 179.01 177.53 2jnb h ILE 65 N 0.00 0.76 0.00 3.13 5.03 -2.00 -3.32 117.51 121.11 2jnb h ILE 65 Ca 0.26 -2.36 -0.02 0.00 -0.12 0.00 0.00 64.86 62.62 2jnb h ILE 65 Cb 1.08 2.27 -0.00 0.00 -3.03 0.00 0.00 36.82 37.14 2jnb h ILE 65 CO -0.00 0.43 -0.08 0.40 -0.68 0.00 0.00 178.15 178.22 2jnb h ILE 66 N 0.00 0.43 0.00 -0.67 2.04 -0.94 -1.73 117.51 116.64 2jnb h ILE 66 Ca -0.16 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.14 2jnb h ILE 66 Cb 1.70 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 2jnb h ILE 66 CO 0.07 0.08 -0.70 0.17 0.00 0.00 0.00 178.15 177.77 2jnb h LEU 67 N 0.00 0.00 -0.36 1.44 8.10 -1.58 -3.24 115.31 119.67 2jnb h LEU 67 Ca -0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 2jnb h LEU 67 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2jnb h LEU 67 CO 0.01 0.55 -0.28 -0.74 -4.11 0.00 0.00 178.44 173.87 2jnb h HIS 68 N 0.00 0.00 0.11 0.17 2.76 -1.45 -3.32 115.15 113.42 2jnb h HIS 68 Ca -0.03 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2jnb h HIS 68 Cb 1.45 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.36 2jnb h HIS 68 CO 0.00 0.28 -0.51 -0.07 -1.30 0.00 0.00 177.93 176.33 2jnb h LEU 69 N 0.00 -1.53 -9.31 0.26 3.38 -1.53 -3.40 115.31 103.19 2jnb h LEU 69 Ca -0.00 0.16 -0.55 0.00 0.09 0.00 0.00 57.88 57.58 2jnb h LEU 69 Cb 1.08 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2jnb h LEU 69 CO 0.04 -0.55 0.94 -2.16 0.09 0.00 0.00 178.44 176.80 2jnb s PRO 70 N -5.80 4.23 0.07 1.13 0.04 -1.25 -4.94 135.00 128.48 2jnb s PRO 70 Ca -0.16 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 2jnb s PRO 70 Cb 0.06 -3.74 -0.17 0.00 0.04 0.00 0.00 34.50 30.70 2jnb s PRO 70 CO 0.61 -0.70 1.62 1.37 0.04 0.00 0.00 177.00 179.95 2jnb h LEU 71 N 9.20 -0.27 0.00 -3.56 8.10 -1.89 -3.42 115.31 123.47 2jnb h LEU 71 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.58 2jnb h LEU 71 Cb 1.17 0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.46 2jnb h LEU 71 CO 0.93 -0.13 0.00 0.18 -4.11 0.00 0.00 178.44 175.31 2jnb n LEU 72 N -5.20 0.00 -3.86 0.17 7.99 -1.26 -5.13 117.00 109.72 2jnb n LEU 72 Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.85 2jnb n LEU 72 Cb 0.17 -0.16 0.02 0.00 -0.11 0.00 0.00 43.42 43.34 2jnb n LEU 72 CO 0.34 -0.35 0.70 0.00 -1.51 0.00 0.00 177.39 176.58 2jnb h GLU 74 N 2.00 0.11 0.00 0.00 9.09 -1.93 -2.60 114.58 121.25 2jnb h GLU 74 Ca -0.30 -0.09 0.00 0.00 0.05 0.00 0.00 59.36 59.02 2jnb h GLU 74 Cb 1.23 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2jnb h GLU 74 CO 0.39 0.76 -0.44 -3.47 0.05 0.00 0.00 179.01 176.30 2jnb n ASP 75 N -3.77 0.64 0.07 3.06 2.03 -1.26 -3.17 116.55 114.16 2jnb n ASP 75 Ca -0.02 0.19 -0.23 0.00 0.52 0.00 0.00 54.79 55.25 2jnb n ASP 75 Cb 0.68 -0.06 -0.15 0.00 -0.72 0.00 0.00 41.12 40.86 2jnb n ASP 75 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2jnb h LYS 76 N 0.00 0.39 0.00 -0.67 6.56 -1.91 -3.46 116.57 117.47 2jnb h LYS 76 Ca 0.00 -0.66 0.00 0.00 -1.06 0.00 0.00 60.65 58.93 2jnb h LYS 76 Cb 0.69 0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.60 2jnb h LYS 76 CO 0.00 1.32 0.00 0.09 -2.06 0.00 0.00 179.45 178.80 2jnb n ASN 77 N -3.73 0.00 -3.30 0.86 4.13 -1.00 -4.95 115.26 107.27 2jnb n ASN 77 Ca -0.23 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.92 2jnb n ASN 77 Cb 1.02 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 39.21 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jnb s VAL 78 N 0.00 -0.51 -0.39 2.41 1.01 -1.09 -4.91 120.40 116.92 2jnb s VAL 78 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 2jnb s VAL 78 Cb 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 2jnb s VAL 78 CO 0.00 -0.43 1.73 -2.16 0.00 0.00 0.00 175.10 174.24 2jnb s PRO 79 N 1.45 3.27 0.43 2.72 0.04 -1.26 -4.19 135.00 137.45 2jnb s PRO 79 Ca 0.18 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2jnb s PRO 79 Cb -0.11 -4.19 0.01 0.00 0.04 0.00 0.00 34.50 30.24 2jnb s PRO 79 CO -0.04 -1.93 0.04 2.48 0.04 0.00 0.00 177.00 177.59 2jnb n TYR 80 N 10.36 0.75 -3.64 0.56 4.11 -1.26 -3.27 117.16 124.77 2jnb n TYR 80 Ca 0.21 -2.06 -0.04 0.00 -0.00 0.00 0.00 57.90 56.01 2jnb n TYR 80 Cb 0.48 -0.29 -0.07 0.00 -0.00 0.00 0.00 39.34 39.46 2jnb n TYR 80 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2jnb s VAL 81 N -2.49 0.00 -0.17 -3.48 0.11 -1.22 -4.95 120.40 108.21 2jnb s VAL 81 Ca 0.03 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2jnb s VAL 81 Cb -0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2jnb s VAL 81 CO 0.02 0.00 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.38 2jnb s PHE 82 N 0.68 2.96 0.01 1.54 0.08 -1.25 -2.69 117.98 119.31 2jnb s PHE 82 Ca -0.02 -0.52 0.06 0.00 0.12 0.00 0.00 56.93 56.57 2jnb s PHE 82 Cb -0.04 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 2jnb s PHE 82 CO -0.12 -0.20 -0.16 0.14 -0.10 0.00 0.00 175.22 174.78 2jnb s VAL 83 N 0.66 2.95 -0.52 -0.44 -7.23 -1.24 -3.83 120.40 110.74 2jnb s VAL 83 Ca -0.03 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.09 2jnb s VAL 83 Cb -0.15 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2jnb s VAL 83 CO 0.02 0.43 2.96 -2.11 -0.31 0.00 0.00 175.10 176.09 2jnb n ARG 84 N 1.80 2.67 -3.22 4.82 1.85 -1.26 -3.93 116.66 119.38 2jnb n ARG 84 Ca -0.16 -2.14 -0.08 0.00 -1.00 0.00 0.00 57.85 54.47 2jnb n ARG 84 Cb 0.52 -2.21 0.02 0.00 -1.05 0.00 0.00 32.46 29.74 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2jnb n SER 85 N 1.57 -1.70 0.00 2.89 3.41 -1.26 -5.09 113.62 113.44 2jnb n SER 85 Ca 0.51 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 2jnb n SER 85 Cb 0.59 2.87 0.00 0.00 -0.26 0.00 0.00 64.21 67.40 2jnb n SER 85 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2jnb n LYS 86 N -0.43 0.00 -0.16 4.33 2.85 -1.26 -4.86 118.16 118.63 2jnb n LYS 86 Ca -0.06 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.12 2jnb n LYS 86 Cb 0.47 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 2jnb n LYS 86 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2jnb h GLN 87 N 0.00 0.68 -0.27 -1.58 4.20 -1.98 -1.55 115.11 114.61 2jnb h GLN 87 Ca 0.00 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.60 2jnb h GLN 87 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2jnb h GLN 87 CO 0.00 0.61 0.18 0.00 -0.67 0.00 0.00 178.83 178.95 2jnb h ALA 88 N 1.04 1.84 0.01 3.87 0.00 -1.99 0.18 119.26 124.20 2jnb h ALA 88 Ca 0.15 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2jnb h ALA 88 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jnb h ALA 88 CO -0.01 0.15 -0.90 1.25 0.00 0.00 0.00 179.25 179.73 2jnb h LEU 89 N 0.34 0.18 0.03 0.00 5.85 -1.80 -3.04 115.31 116.86 2jnb h LEU 89 Ca 0.10 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 2jnb h LEU 89 Cb -0.01 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 40.97 2jnb h LEU 89 CO -0.02 0.99 -0.25 1.23 -0.34 0.00 0.00 178.44 180.04 2jnb h GLY 90 N 2.10 0.13 1.70 3.75 0.00 -0.29 -3.29 103.07 107.16 2jnb h GLY 90 Ca -0.04 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.04 2jnb h GLY 90 CO 0.13 0.25 0.11 0.07 0.00 0.00 0.00 176.54 177.11 2jnb h ARG 91 N -0.72 0.00 -0.47 4.80 0.11 -0.81 -0.63 114.38 116.66 2jnb h ARG 91 Ca -0.04 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 2jnb h ARG 91 Cb 1.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 2jnb h ARG 91 CO 0.05 0.00 0.14 0.00 0.10 0.00 0.00 179.97 180.25 2jnb h ALA 92 N 1.91 1.36 0.05 0.08 0.00 -1.60 -2.88 119.26 118.18 2jnb h ALA 92 Ca 0.07 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 2jnb h ALA 92 Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2jnb h ALA 92 CO -0.00 0.46 -1.54 0.00 0.00 0.00 0.00 179.25 178.17 2jnb n GLY 94 N 1.59 0.66 3.68 0.00 0.00 -0.48 -5.13 105.19 105.52 2jnb n GLY 94 Ca -0.15 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.45 2.64 0.03 1.61 -7.23 -1.19 -5.05 120.40 109.77 2jnb s VAL 95 Ca 0.00 -1.84 -0.15 0.00 -1.81 0.00 0.00 61.98 58.17 2jnb s VAL 95 Cb 0.00 -2.89 -0.35 0.00 0.56 0.00 0.00 36.38 33.69 2jnb s VAL 95 CO 0.00 -0.15 1.00 -1.28 -0.31 0.00 0.00 175.10 174.37 2jnb h SER 96 N 1.66 0.83 -2.16 4.85 0.87 -2.00 -3.43 113.55 114.17 2jnb h SER 96 Ca -0.43 -0.90 -0.54 0.00 -1.23 0.00 0.00 61.79 58.70 2jnb h SER 96 Cb 1.25 -0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 62.87 2jnb h SER 96 CO 0.67 1.70 -0.59 -0.13 -0.53 0.00 0.00 176.83 177.95 2jnb s ARG 97 N -2.60 2.54 0.74 2.24 0.52 -1.26 -5.07 118.95 116.05 2jnb s ARG 97 Ca -0.09 -1.30 -0.12 0.00 -0.52 0.00 0.00 55.73 53.71 2jnb s ARG 97 Cb 0.04 -2.31 0.04 0.00 0.52 0.00 0.00 34.95 33.24 2jnb s ARG 97 CO 0.94 0.35 1.10 -1.25 0.02 0.00 0.00 175.30 176.46 2jnb s PRO 98 N -3.76 2.40 0.06 3.54 0.04 -1.26 -4.84 135.00 131.17 2jnb s PRO 98 Ca 0.33 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 2jnb s PRO 98 Cb -0.07 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2jnb s PRO 98 CO 0.22 -1.54 0.22 0.08 0.04 0.00 0.00 177.00 176.01 2jnb s VAL 99 N -2.76 5.38 -0.06 -0.36 1.01 -1.26 -5.00 120.40 117.36 2jnb s VAL 99 Ca 0.63 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2jnb s VAL 99 Cb -0.18 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 2jnb s VAL 99 CO 0.52 0.16 0.04 2.30 0.00 0.00 0.00 175.10 178.11 2jnb n ILE 100 N 0.35 0.38 -3.66 2.22 -5.35 -1.26 -4.72 119.36 107.32 2jnb n ILE 100 Ca -0.06 -0.25 -0.19 0.00 -0.27 0.00 0.00 62.75 61.98 2jnb n ILE 100 Cb 0.51 -0.70 -0.17 0.00 -1.74 0.00 0.00 39.64 37.55 2jnb n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jnb s ALA 101 N -2.19 0.10 -0.01 -1.28 0.00 -1.26 -3.60 121.76 113.52 2jnb s ALA 101 Ca -0.03 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 2jnb s ALA 101 Cb 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.40 2jnb s ALA 101 CO 0.26 -0.61 0.19 0.00 0.00 0.00 0.00 175.76 175.60 2jnb s SER 103 N -1.16 0.29 -0.15 0.00 1.04 -0.92 -0.14 113.70 112.66 2jnb s SER 103 Ca -0.12 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.25 2jnb s SER 103 Cb -0.06 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2jnb s SER 103 CO 0.02 -0.73 -0.20 -0.69 0.98 0.00 0.00 173.24 172.62 2jnb s VAL 104 N -4.00 2.21 -0.22 5.02 1.01 -0.08 -3.57 120.40 120.77 2jnb s VAL 104 Ca 0.18 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 2jnb s VAL 104 Cb 0.07 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 2jnb s VAL 104 CO -0.02 0.54 0.89 0.42 0.00 0.00 0.00 175.10 176.93 2jnb s THR 105 N 0.95 4.80 0.07 3.92 -4.23 -1.26 -3.18 115.64 116.72 2jnb s THR 105 Ca -0.03 1.71 -0.30 0.00 -1.18 0.00 0.00 61.69 61.88 2jnb s THR 105 Cb -0.15 -4.17 -0.05 0.00 1.34 0.00 0.00 72.50 69.46 2jnb s THR 105 CO -0.04 -0.08 1.10 -0.51 -0.54 0.00 0.00 174.62 174.55 2jnb s ILE 106 N 2.79 4.26 -0.26 2.99 2.07 -1.25 -5.03 121.20 126.78 2jnb s ILE 106 Ca 0.38 1.69 0.03 0.00 -1.41 0.00 0.00 60.65 61.34 2jnb s ILE 106 Cb -0.15 -4.08 0.06 0.00 0.13 0.00 0.00 42.46 38.41 2jnb s ILE 106 CO 0.08 0.17 -0.11 -0.75 -1.91 0.00 0.00 174.94 172.42 2jnb s LYS 107 N 0.69 2.28 0.36 3.50 2.20 -1.26 -5.02 119.74 122.48 2jnb s LYS 107 Ca 0.54 -1.32 -0.27 0.00 -0.36 0.00 0.00 55.97 54.56 2jnb s LYS 107 Cb -0.27 -2.87 -0.09 0.00 -1.51 0.00 0.00 37.83 33.09 2jnb s LYS 107 CO 0.30 -0.55 1.21 -1.21 -0.36 0.00 0.00 175.35 174.74 2jnb s GLU 108 N 1.11 4.26 0.00 4.03 8.01 -1.26 -3.18 118.70 131.66 2jnb s GLU 108 Ca -0.08 1.97 0.00 0.00 0.01 0.00 0.00 54.97 56.87 2jnb s GLU 108 Cb -0.20 -2.90 0.00 0.00 -4.31 0.00 0.00 34.13 26.72 2jnb s GLU 108 CO -0.05 -0.19 0.00 0.41 0.01 0.00 0.00 175.26 175.44 2jnb n GLY 109 N 0.80 3.20 3.83 -1.39 0.00 -1.26 -5.06 105.19 105.31 2jnb n GLY 109 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2jnb n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jnb s SER 110 N -0.59 6.90 0.51 1.61 1.04 -1.19 -4.97 113.70 117.02 2jnb s SER 110 Ca 0.00 1.10 0.20 0.00 0.48 0.00 0.00 55.95 57.73 2jnb s SER 110 Cb 0.00 -2.30 1.29 0.00 0.10 0.00 0.00 66.02 65.11 2jnb s SER 110 CO 0.00 0.24 2.06 -0.61 0.98 0.00 0.00 173.24 175.91 2jnb h GLN 111 N 4.28 0.06 -0.06 4.02 4.15 -1.97 0.16 115.11 125.74 2jnb h GLN 111 Ca -0.50 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 58.93 2jnb h GLN 111 Cb 1.21 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 2jnb h GLN 111 CO 0.64 0.04 0.06 -0.07 -1.93 0.00 0.00 178.83 177.56 2jnb h LEU 112 N 0.06 0.00 -1.97 -2.39 4.07 -1.93 -1.57 115.31 111.59 2jnb h LEU 112 Ca 0.15 0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.34 2jnb h LEU 112 Cb 0.53 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.23 2jnb h LEU 112 CO -0.01 0.00 0.57 0.50 -1.08 0.00 0.00 178.44 178.42 2jnb h LYS 113 N 0.00 0.03 -0.09 1.13 3.64 -1.18 0.30 116.57 120.40 2jnb h LYS 113 Ca 0.03 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 2jnb h LYS 113 Cb 0.14 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2jnb h LYS 113 CO -0.00 0.02 -0.48 0.37 -2.27 0.00 0.00 179.45 177.08 2jnb h GLN 114 N 0.03 0.48 0.57 1.90 5.75 -1.47 -2.90 115.11 119.47 2jnb h GLN 114 Ca 0.38 -0.40 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2jnb h GLN 114 Cb 1.49 0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.13 2jnb h GLN 114 CO -0.02 1.04 -0.30 0.37 -2.65 0.00 0.00 178.83 177.27 2jnb h GLN 115 N 0.06 -0.77 -0.82 1.69 -0.00 -1.09 0.70 115.11 114.88 2jnb h GLN 115 Ca -0.04 0.05 0.18 0.00 -0.00 0.00 0.00 58.65 58.84 2jnb h GLN 115 Cb 1.14 0.17 -0.06 0.00 0.00 0.00 0.00 27.48 28.73 2jnb h GLN 115 CO 0.10 -0.51 0.55 0.82 0.00 0.00 0.00 178.83 179.78 2jnb h ILE 116 N -0.80 0.74 -0.11 2.39 2.04 -1.46 -0.94 117.51 119.38 2jnb h ILE 116 Ca -0.07 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 2jnb h ILE 116 Cb 0.63 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2jnb h ILE 116 CO 0.11 0.07 -0.41 1.56 0.00 0.00 0.00 178.15 179.48 2jnb h GLN 117 N 0.39 0.47 -0.27 2.37 4.20 -1.23 -2.47 115.11 118.58 2jnb h GLN 117 Ca 0.41 -0.36 0.06 0.00 0.06 0.00 0.00 58.65 58.82 2jnb h GLN 117 Cb 1.01 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.80 2jnb h GLN 117 CO -0.14 0.99 -0.10 0.77 -0.67 0.00 0.00 178.83 179.68 2jnb h SER 118 N 0.05 -0.33 0.31 1.46 0.02 0.48 -1.00 113.55 114.53 2jnb h SER 118 Ca -0.02 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 2jnb h SER 118 Cb 1.05 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2jnb h SER 118 CO 0.09 -0.12 -0.31 -0.29 -1.14 0.00 0.00 176.83 175.05 2jnb h ILE 119 N -0.05 1.22 -0.89 3.27 2.10 -1.46 -2.88 117.51 118.82 2jnb h ILE 119 Ca 0.13 -1.06 0.15 0.00 1.08 0.00 0.00 64.86 65.16 2jnb h ILE 119 Cb 0.25 1.57 -0.09 0.00 -1.09 0.00 0.00 36.82 37.46 2jnb h ILE 119 CO -0.30 0.30 0.49 -0.61 -1.08 0.00 0.00 178.15 176.96 2jnb h GLN 120 N 0.00 0.67 -0.73 2.19 4.15 -0.68 1.00 115.11 121.71 2jnb h GLN 120 Ca -0.00 -0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.50 2jnb h GLN 120 Cb 0.55 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.04 2jnb h GLN 120 CO 0.04 0.45 0.48 0.37 -1.93 0.00 0.00 178.83 178.24 2jnb h GLN 121 N 0.69 0.50 -0.45 1.69 4.15 -1.37 -0.55 115.11 119.77 2jnb h GLN 121 Ca 0.49 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.88 2jnb h GLN 121 Cb 0.67 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2jnb h GLN 121 CO -0.35 0.33 0.30 0.77 -1.93 0.00 0.00 178.83 177.94 2jnb h SER 122 N 0.51 0.51 -0.22 -0.69 0.02 -0.94 0.16 113.55 112.90 2jnb h SER 122 Ca 0.35 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.13 2jnb h SER 122 Cb 0.65 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2jnb h SER 122 CO -0.12 0.37 -0.45 0.40 -1.14 0.00 0.00 176.83 175.89 2jnb h ILE 123 N 0.61 1.31 -0.62 3.27 2.04 -1.23 -3.05 117.51 119.83 2jnb h ILE 123 Ca 0.17 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 2jnb h ILE 123 Cb -0.07 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2jnb h ILE 123 CO -0.04 0.52 0.33 -0.08 0.00 0.00 0.00 178.15 178.88 2jnb h GLU 124 N 0.42 0.87 -0.46 2.37 4.81 -0.94 0.24 114.58 121.89 2jnb h GLU 124 Ca 0.01 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2jnb h GLU 124 Cb 1.05 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 2jnb h GLU 124 CO 0.10 0.67 0.18 0.00 -0.73 0.00 0.00 179.01 179.23 2jnb h ARG 125 N 0.84 0.35 -0.10 1.92 2.47 -0.70 -1.58 114.38 117.59 2jnb h ARG 125 Ca 0.22 -0.02 -0.21 0.00 -1.26 0.00 0.00 59.98 58.70 2jnb h ARG 125 Cb 0.07 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2jnb h ARG 125 CO -0.03 0.23 -0.79 -0.07 0.56 0.00 0.00 179.97 179.87 2jnb h LEU 126 N 0.36 0.74 -0.55 3.04 3.38 -1.39 -3.24 115.31 117.66 2jnb h LEU 126 Ca 0.22 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.78 2jnb h LEU 126 Cb 0.20 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 2jnb h LEU 126 CO -0.21 1.28 0.15 -0.07 0.09 0.00 0.00 178.44 179.68 2jnb h LEU 127 N 0.41 0.09 0.00 1.67 3.38 -0.01 -3.46 115.31 117.40 2jnb h LEU 127 Ca -0.05 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jnb h LEU 127 Cb 1.40 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2jnb h LEU 127 CO 0.15 0.07 0.00 0.52 0.09 0.00 0.00 178.44 179.27