#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 -0.76 -0.11 2.03 -4.23 -1.26 -5.00 115.64 106.31 2jnb s THR 2 Ca 0.00 -0.31 0.23 0.00 -1.18 0.00 0.00 61.69 60.43 2jnb s THR 2 Cb 0.00 -0.52 0.45 0.00 1.34 0.00 0.00 72.50 73.77 2jnb s THR 2 CO 0.00 -0.20 1.16 1.21 -0.54 0.00 0.00 174.62 176.25 2jnb n GLU 3 N 4.72 0.83 -1.29 3.99 2.13 -1.26 -5.13 120.64 124.63 2jnb n GLU 3 Ca 0.08 -2.67 0.17 0.00 0.66 0.00 0.00 57.16 55.41 2jnb n GLU 3 Cb 0.52 -0.73 -0.05 0.00 0.27 0.00 0.00 31.44 31.45 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jnb n ALA 4 N -0.03 -3.34 -3.93 4.31 0.00 -1.26 -4.86 120.51 111.40 2jnb n ALA 4 Ca 0.09 0.49 -0.31 0.00 0.00 0.00 0.00 53.44 53.72 2jnb n ALA 4 Cb 1.00 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 19.27 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 -3.98 -4.82 -4.71 0.00 8.00 -1.26 -4.92 116.55 104.86 2jnb n ASP 5 Ca -0.01 -0.79 -0.31 0.00 0.71 0.00 0.00 54.79 54.39 2jnb n ASP 5 Cb 0.59 -3.85 0.14 0.00 -0.02 0.00 0.00 41.12 37.98 2jnb n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jnb s VAL 6 N -3.30 2.47 0.41 2.53 -7.23 -1.26 -5.03 120.40 109.00 2jnb s VAL 6 Ca 0.68 0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.99 2jnb s VAL 6 Cb -0.34 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2jnb s VAL 6 CO 0.83 -0.19 0.64 0.20 -0.31 0.00 0.00 175.10 176.28 2jnb s ASN 7 N -2.82 6.21 0.43 4.85 0.01 -1.26 -4.99 114.94 117.38 2jnb s ASN 7 Ca 0.66 0.59 0.30 0.00 -0.71 0.00 0.00 52.86 53.69 2jnb s ASN 7 Cb -0.22 -2.03 1.23 0.00 0.41 0.00 0.00 41.25 40.64 2jnb s ASN 7 CO 0.56 -0.45 1.88 1.55 -1.51 0.00 0.00 177.10 179.13 2jnb h PRO 8 N 0.52 0.00 -2.52 -0.60 0.13 -1.95 -3.46 132.00 124.12 2jnb h PRO 8 Ca -0.48 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 2jnb h PRO 8 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2jnb h PRO 8 CO 0.61 0.00 -0.50 1.17 -0.23 0.00 0.00 178.00 179.05 2jnb n LYS 9 N -2.73 -1.64 -3.00 0.86 4.81 -1.26 -1.66 118.16 113.54 2jnb n LYS 9 Ca 0.01 1.06 -0.21 0.00 -0.87 0.00 0.00 58.31 58.30 2jnb n LYS 9 Cb 0.27 -5.66 0.01 0.00 0.02 0.00 0.00 35.03 29.67 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 -1.18 -0.95 -2.46 3.14 0.00 -1.26 -4.97 120.51 112.84 2jnb n ALA 10 Ca -0.24 0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 2jnb n ALA 10 Cb 0.69 -2.95 -0.10 0.00 0.00 0.00 0.00 19.45 17.09 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 -2.98 2.24 0.99 0.00 1.51 -0.67 -4.30 117.35 114.14 2jnb s TYR 11 Ca 0.26 -0.35 -0.12 0.00 -1.01 0.00 0.00 57.07 55.85 2jnb s TYR 11 Cb -0.13 -0.97 0.18 0.00 -0.11 0.00 0.00 41.96 40.93 2jnb s TYR 11 CO 0.33 0.69 1.09 -1.25 -1.11 0.00 0.00 175.55 175.30 2jnb s PRO 12 N -3.52 0.50 -0.03 -1.71 0.04 -1.26 -4.96 135.00 124.06 2jnb s PRO 12 Ca 0.29 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.92 2jnb s PRO 12 Cb -0.05 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.75 2jnb s PRO 12 CO 0.14 -2.69 -0.13 -1.17 0.04 0.00 0.00 177.00 173.19 2jnb s LEU 13 N -6.44 1.90 -0.18 -3.56 2.96 -1.26 -3.98 118.68 108.11 2jnb s LEU 13 Ca 0.65 -0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 54.18 2jnb s LEU 13 Cb -0.19 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 2jnb s LEU 13 CO 0.58 0.12 0.26 0.00 -1.32 0.00 0.00 176.35 175.98 2jnb s ALA 14 N -0.01 3.61 0.90 5.97 0.00 -1.26 -5.07 121.76 125.90 2jnb s ALA 14 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 2jnb s ALA 14 Cb -0.08 -2.36 0.14 0.00 0.00 0.00 0.00 23.12 20.81 2jnb s ALA 14 CO 0.01 0.04 1.16 0.16 0.00 0.00 0.00 175.76 177.13 2jnb s ASP 15 N 0.57 2.99 0.42 0.00 -4.77 -1.26 -4.56 116.67 110.06 2jnb s ASP 15 Ca 0.14 2.24 0.16 0.00 -3.30 0.00 0.00 52.55 51.79 2jnb s ASP 15 Cb -0.13 -2.57 1.04 0.00 -1.09 0.00 0.00 42.92 40.17 2jnb s ASP 15 CO 0.03 -3.06 1.89 0.00 0.70 0.00 0.00 175.17 174.73 2jnb h ALA 16 N -1.70 2.13 -0.38 2.11 0.00 -1.97 0.20 119.26 119.64 2jnb h ALA 16 Ca -0.44 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2jnb h ALA 16 Cb 1.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2jnb h ALA 16 CO 0.42 -0.37 -0.00 1.25 0.00 0.00 0.00 179.25 180.55 2jnb h HIS 17 N 0.44 0.62 0.06 0.00 6.17 -2.01 -0.02 115.15 120.42 2jnb h HIS 17 Ca 0.42 -0.07 -0.27 0.00 0.71 0.00 0.00 60.37 61.16 2jnb h HIS 17 Cb 0.97 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.70 2jnb h HIS 17 CO -0.00 0.60 -1.37 1.25 0.71 0.00 0.00 177.93 179.11 2jnb h LEU 18 N 0.57 0.21 -0.71 0.26 6.46 -1.08 -3.33 115.31 117.69 2jnb h LEU 18 Ca 0.12 -0.28 -0.14 0.00 -0.12 0.00 0.00 57.88 57.46 2jnb h LEU 18 Cb 0.36 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2jnb h LEU 18 CO 0.01 1.23 -0.52 0.74 -0.62 0.00 0.00 178.44 179.29 2jnb h THR 19 N 0.04 1.34 -0.64 1.05 2.02 -0.51 -3.09 112.91 113.13 2jnb h THR 19 Ca -0.17 -1.77 0.10 0.00 0.77 0.00 0.00 66.41 65.34 2jnb h THR 19 Cb 1.94 1.82 -0.07 0.00 -1.74 0.00 0.00 68.15 70.09 2jnb h THR 19 CO 0.14 0.53 0.26 0.50 0.37 0.00 0.00 175.52 177.32 2jnb h LYS 20 N 0.27 0.44 -0.52 6.66 3.64 -1.10 0.22 116.57 126.18 2jnb h LYS 20 Ca 0.01 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2jnb h LYS 20 Cb 1.00 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2jnb h LYS 20 CO 0.09 0.29 -0.10 0.87 -2.27 0.00 0.00 179.45 178.33 2jnb h LYS 21 N 0.45 0.95 -0.57 1.90 1.57 -1.69 -2.98 116.57 116.20 2jnb h LYS 21 Ca 0.32 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2jnb h LYS 21 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2jnb h LYS 21 CO -0.30 1.00 -0.02 1.25 -0.57 0.00 0.00 179.45 180.80 2jnb h LEU 22 N 0.86 0.99 -2.04 2.94 6.46 -1.18 -2.56 115.31 120.77 2jnb h LEU 22 Ca 0.14 -0.28 0.12 0.00 -0.12 0.00 0.00 57.88 57.74 2jnb h LEU 22 Cb 0.64 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2jnb h LEU 22 CO 0.04 1.05 0.38 -0.07 -0.62 0.00 0.00 178.44 179.22 2jnb h LEU 23 N 0.92 0.00 -0.55 2.25 3.38 -0.45 0.66 115.31 121.53 2jnb h LEU 23 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 2jnb h LEU 23 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2jnb h LEU 23 CO 0.03 0.00 -0.27 -0.78 0.09 0.00 0.00 178.44 177.51 2jnb h ASP 24 N 0.00 0.92 0.38 -0.43 3.58 -1.47 -2.75 116.42 116.66 2jnb h ASP 24 Ca 0.20 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.26 2jnb h ASP 24 Cb 0.96 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 2jnb h ASP 24 CO -0.00 1.13 -0.15 0.25 -2.88 0.00 0.00 179.24 177.59 2jnb h LEU 25 N 0.75 0.00 0.14 2.28 7.12 -0.94 -0.60 115.31 124.06 2jnb h LEU 25 Ca 0.09 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 2jnb h LEU 25 Cb 0.83 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 2jnb h LEU 25 CO 0.07 0.15 -0.06 0.58 -0.13 0.00 0.00 178.44 179.04 2jnb h VAL 26 N 0.00 1.01 -0.11 1.05 2.07 -1.35 -0.21 116.25 118.72 2jnb h VAL 26 Ca -0.00 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 2jnb h VAL 26 Cb 0.38 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2jnb h VAL 26 CO 0.02 0.24 -0.35 -0.61 0.02 0.00 0.00 177.57 176.89 2jnb h GLN 27 N -0.75 0.21 -0.00 1.57 4.15 -1.40 -2.79 115.11 116.09 2jnb h GLN 27 Ca -0.02 -0.09 -0.17 0.00 0.77 0.00 0.00 58.65 59.15 2jnb h GLN 27 Cb 0.53 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2jnb h GLN 27 CO 0.03 0.54 -0.80 1.96 -1.93 0.00 0.00 178.83 178.63 2jnb h GLN 28 N 0.19 0.02 -0.31 1.69 1.08 -1.15 -3.30 115.11 113.33 2jnb h GLN 28 Ca 0.02 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 2jnb h GLN 28 Cb 0.71 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.07 2jnb h GLN 28 CO 0.05 0.81 -0.24 0.77 -0.95 0.00 0.00 178.83 179.27 2jnb h SER 29 N 0.01 -0.80 -0.16 1.46 0.02 -0.74 0.26 113.55 113.60 2jnb h SER 29 Ca -0.01 0.15 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2jnb h SER 29 Cb 1.41 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 64.33 2jnb h SER 29 CO 0.11 -0.27 0.17 0.00 -1.14 0.00 0.00 176.83 175.69 2jnb h ASN 31 N 0.00 0.00 -0.40 0.00 -0.73 -0.62 -2.83 115.58 111.00 2jnb h ASN 31 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 2jnb h ASN 31 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.00 2jnb h ASN 31 CO -0.00 0.00 0.00 -1.22 -0.37 0.00 0.00 177.43 175.84 2jnb n TYR 32 N -3.02 0.88 -1.33 0.67 4.02 0.83 -4.87 117.16 114.33 2jnb n TYR 32 Ca 0.02 -0.35 -0.12 0.00 -0.01 0.00 0.00 57.90 57.44 2jnb n TYR 32 Cb 0.40 -0.15 -0.05 0.00 -0.02 0.00 0.00 39.34 39.52 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2jnb n LYS 33 N 0.61 -1.37 -3.79 -0.72 5.02 -1.07 -4.95 118.16 111.89 2jnb n LYS 33 Ca 0.16 0.88 -0.14 0.00 -2.02 0.00 0.00 58.31 57.19 2jnb n LYS 33 Cb 0.57 -5.12 -0.15 0.00 -0.02 0.00 0.00 35.03 30.31 2jnb n LYS 33 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2jnb s GLN 34 N -2.86 0.04 0.29 1.97 0.74 -1.20 -5.06 119.66 113.59 2jnb s GLN 34 Ca 0.00 0.21 -0.17 0.00 0.05 0.00 0.00 55.36 55.46 2jnb s GLN 34 Cb 0.00 -0.13 0.02 0.00 1.10 0.00 0.00 33.01 34.00 2jnb s GLN 34 CO 0.00 -0.11 0.65 -0.48 -0.55 0.00 0.00 175.29 174.80 2jnb s LEU 35 N 0.75 0.02 -0.30 3.68 -0.00 -1.26 -3.49 118.68 118.09 2jnb s LEU 35 Ca -0.06 -0.85 -0.06 0.00 -0.00 0.00 0.00 54.13 53.17 2jnb s LEU 35 Cb -0.08 2.42 0.16 0.00 -0.00 0.00 0.00 46.19 48.68 2jnb s LEU 35 CO -0.03 -1.35 0.62 -0.60 -0.00 0.00 0.00 176.35 174.99 2jnb s ARG 36 N -3.60 0.57 -0.54 1.48 6.06 -1.21 -4.91 118.95 116.79 2jnb s ARG 36 Ca 0.16 1.22 0.04 0.00 -2.50 0.00 0.00 55.73 54.65 2jnb s ARG 36 Cb -0.04 0.70 0.16 0.00 0.06 0.00 0.00 34.95 35.82 2jnb s ARG 36 CO 0.09 -0.41 0.37 0.15 -2.50 0.00 0.00 175.30 173.00 2jnb s LYS 37 N 2.87 1.67 -0.22 5.12 3.01 -1.26 -0.71 119.74 130.22 2jnb s LYS 37 Ca 0.07 -2.60 -0.29 0.00 -1.01 0.00 0.00 55.97 52.15 2jnb s LYS 37 Cb -0.13 -2.54 0.15 0.00 -1.01 0.00 0.00 37.83 34.30 2jnb s LYS 37 CO -0.20 -1.28 1.16 0.20 0.51 0.00 0.00 175.35 175.74 2jnb s GLY 38 N -0.48 -0.09 -0.12 -3.33 0.00 0.75 -4.94 107.32 99.11 2jnb s GLY 38 Ca 0.25 2.48 -0.25 0.00 0.00 0.00 0.00 44.72 47.19 2jnb s GLY 38 CO -0.12 1.20 0.76 0.00 0.00 0.00 0.00 173.10 174.93 2jnb h ALA 39 N 2.57 -0.02 -0.09 3.20 0.00 -1.93 -3.29 119.26 119.72 2jnb h ALA 39 Ca -0.16 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2jnb h ALA 39 Cb 1.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2jnb h ALA 39 CO 0.25 -0.05 -0.12 -0.97 0.00 0.00 0.00 179.25 178.36 2jnb h ASN 40 N -0.93 0.13 0.05 0.00 -0.00 -1.92 -1.96 115.58 110.95 2jnb h ASN 40 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.27 2jnb h ASN 40 Cb 0.81 -0.03 -0.00 0.00 -0.00 0.00 0.00 38.32 39.09 2jnb h ASN 40 CO 0.00 0.27 -0.04 -0.33 -0.00 0.00 0.00 177.43 177.33 2jnb h GLU 41 N 0.13 0.00 -0.79 6.67 5.08 -1.96 -2.20 114.58 121.51 2jnb h GLU 41 Ca 0.03 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2jnb h GLU 41 Cb 0.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2jnb h GLU 41 CO 0.02 0.04 0.48 0.00 -1.00 0.00 0.00 179.01 178.55 2jnb h ALA 42 N 1.96 1.07 -0.05 3.43 0.00 -1.41 -0.52 119.26 123.73 2jnb h ALA 42 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2jnb h ALA 42 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jnb h ALA 42 CO 0.01 0.20 -0.13 1.79 0.00 0.00 0.00 179.25 181.11 2jnb h THR 43 N 0.87 1.44 -0.17 0.00 1.35 -1.54 -2.84 112.91 112.02 2jnb h THR 43 Ca 0.34 -1.51 0.05 0.00 -0.55 0.00 0.00 66.41 64.74 2jnb h THR 43 Cb 0.17 2.32 -0.06 0.00 -1.73 0.00 0.00 68.15 68.85 2jnb h THR 43 CO -0.17 0.42 -0.20 0.11 -0.25 0.00 0.00 175.52 175.42 2jnb h LYS 44 N -0.35 -0.23 -0.27 4.72 1.79 -1.29 -0.31 116.57 120.63 2jnb h LYS 44 Ca -0.00 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.54 2jnb h LYS 44 Cb 0.75 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.40 2jnb h LYS 44 CO 0.03 -0.15 -0.06 1.79 -1.08 0.00 0.00 179.45 179.98 2jnb h THR 45 N -0.24 0.74 -0.38 -0.16 1.35 -1.18 -0.73 112.91 112.32 2jnb h THR 45 Ca 0.11 -0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.02 2jnb h THR 45 Cb 0.40 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 2jnb h THR 45 CO -0.31 0.00 0.26 -0.07 -0.25 0.00 0.00 175.52 175.15 2jnb h LEU 46 N 0.01 0.27 -0.23 3.87 3.38 -1.17 -1.96 115.31 119.48 2jnb h LEU 46 Ca 0.13 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2jnb h LEU 46 Cb 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jnb h LEU 46 CO -0.27 0.18 0.00 -1.13 0.09 0.00 0.00 178.44 177.32 2jnb h ASN 47 N 0.31 0.40 0.41 -0.43 -1.24 0.40 -2.73 115.58 112.70 2jnb h ASN 47 Ca 0.16 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 56.84 2jnb h ASN 47 Cb 0.25 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 2jnb h ASN 47 CO -0.04 0.61 -0.12 0.03 -1.29 0.00 0.00 177.43 176.62 2jnb h ARG 48 N 0.18 0.00 -2.36 6.67 3.08 -0.66 -3.46 114.38 117.83 2jnb h ARG 48 Ca 0.07 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 2jnb h ARG 48 Cb 0.40 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.49 2jnb h ARG 48 CO 0.01 0.12 -0.22 0.41 -1.07 0.00 0.00 179.97 179.22 2jnb n GLY 49 N -0.63 0.39 0.00 0.04 0.00 -0.83 -4.94 105.19 99.22 2jnb n GLY 49 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.46 0.00 -3.05 -0.61 -6.64 -1.23 -5.05 119.36 99.32 2jnb n ILE 50 Ca -0.01 -0.47 -0.28 0.00 -1.77 0.00 0.00 62.75 60.22 2jnb n ILE 50 Cb 0.53 1.01 -0.02 0.00 -1.44 0.00 0.00 39.64 39.72 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 -0.74 6.40 -0.18 7.28 0.15 -1.26 -3.42 113.70 121.94 2jnb s SER 51 Ca 0.00 0.84 -0.06 0.00 0.70 0.00 0.00 55.95 57.43 2jnb s SER 51 Cb 0.00 -2.20 -0.09 0.00 -1.71 0.00 0.00 66.02 62.02 2jnb s SER 51 CO 0.00 -0.35 -0.21 1.21 1.20 0.00 0.00 173.24 175.09 2jnb n GLU 52 N -1.44 0.39 -3.90 5.44 2.13 -1.18 -4.91 120.64 117.17 2jnb n GLU 52 Ca -0.00 0.15 -0.09 0.00 0.66 0.00 0.00 57.16 57.87 2jnb n GLU 52 Cb 0.54 -1.20 -0.05 0.00 0.27 0.00 0.00 31.44 31.01 2jnb n GLU 52 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2jnb s PHE 53 N -2.33 0.17 0.02 4.31 -0.71 -1.25 -5.03 117.98 113.16 2jnb s PHE 53 Ca -0.24 -0.54 0.02 0.00 -1.04 0.00 0.00 56.93 55.13 2jnb s PHE 53 Cb 0.09 0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 42.15 2jnb s PHE 53 CO 0.34 -0.95 -0.07 0.42 -1.34 0.00 0.00 175.22 173.62 2jnb s ILE 54 N -3.96 0.49 -0.01 -4.49 -1.09 -1.26 -2.61 121.20 108.27 2jnb s ILE 54 Ca 0.17 -0.59 0.08 0.00 -2.23 0.00 0.00 60.65 58.08 2jnb s ILE 54 Cb -0.01 -0.48 -0.02 0.00 -1.58 0.00 0.00 42.46 40.37 2jnb s ILE 54 CO 0.04 -0.08 -0.25 -0.69 -1.23 0.00 0.00 174.94 172.73 2jnb s VAL 55 N -0.64 1.96 0.15 2.92 1.01 -0.82 -3.62 120.40 121.36 2jnb s VAL 55 Ca -0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.81 2jnb s VAL 55 Cb -0.05 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2jnb s VAL 55 CO 0.00 0.53 0.18 -0.04 0.00 0.00 0.00 175.10 175.77 2jnb s MET 56 N -0.65 1.06 -0.21 2.72 -1.94 -1.12 -0.40 119.30 118.75 2jnb s MET 56 Ca 0.10 -1.30 -0.13 0.00 -1.71 0.00 0.00 55.69 52.64 2jnb s MET 56 Cb -0.10 0.32 -0.04 0.00 2.01 0.00 0.00 34.83 37.01 2jnb s MET 56 CO -0.01 -0.35 0.28 0.00 -0.01 0.00 0.00 175.02 174.93 2jnb s ALA 57 N -4.01 3.59 0.29 3.03 0.00 0.89 -0.83 121.76 124.72 2jnb s ALA 57 Ca 0.21 -0.64 0.12 0.00 0.00 0.00 0.00 51.96 51.64 2jnb s ALA 57 Cb 0.05 -2.45 0.49 0.00 0.00 0.00 0.00 23.12 21.22 2jnb s ALA 57 CO 0.01 -0.15 1.69 0.00 0.00 0.00 0.00 175.76 177.31 2jnb h ALA 58 N 7.22 1.09 -0.79 0.00 0.00 -1.81 -2.97 119.26 121.99 2jnb h ALA 58 Ca -0.38 -0.48 -0.47 0.00 0.00 0.00 0.00 54.91 53.59 2jnb h ALA 58 Cb 1.16 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.63 2jnb h ALA 58 CO 0.71 0.66 0.60 -3.47 0.00 0.00 0.00 179.25 177.74 2jnb n ASP 59 N -3.86 5.11 -4.44 0.00 2.03 -1.26 -4.92 116.55 109.21 2jnb n ASP 59 Ca -0.01 -3.37 -0.29 0.00 0.52 0.00 0.00 54.79 51.64 2jnb n ASP 59 Cb 0.55 -0.87 -0.12 0.00 -0.72 0.00 0.00 41.12 39.95 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 -2.80 2.54 0.09 -1.67 0.00 -1.13 -5.11 121.76 113.70 2jnb s ALA 60 Ca 0.48 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2jnb s ALA 60 Cb 0.39 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2jnb s ALA 60 CO 0.05 0.54 -0.06 -1.83 0.00 0.00 0.00 175.76 174.45 2jnb s GLU 61 N -2.22 0.81 1.14 0.00 -1.05 -1.26 -4.41 118.70 111.71 2jnb s GLU 61 Ca 0.17 -1.30 -0.17 0.00 -0.15 0.00 0.00 54.97 53.52 2jnb s GLU 61 Cb -0.10 -0.19 0.26 0.00 -0.44 0.00 0.00 34.13 33.66 2jnb s GLU 61 CO 0.09 -0.02 1.10 -1.25 0.95 0.00 0.00 175.26 176.13 2jnb s PRO 62 N -3.73 -0.71 0.18 -4.83 0.04 -1.26 -5.08 135.00 119.60 2jnb s PRO 62 Ca 0.11 0.13 0.20 0.00 0.04 0.00 0.00 61.00 61.47 2jnb s PRO 62 Cb 0.05 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.94 2jnb s PRO 62 CO -0.05 -3.41 1.04 -0.07 0.04 0.00 0.00 177.00 174.55 2jnb h LEU 63 N -2.37 0.00 -0.42 -3.56 3.38 -2.00 -3.37 115.31 106.97 2jnb h LEU 63 Ca -0.49 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.57 2jnb h LEU 63 Cb 1.31 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 2jnb h LEU 63 CO 0.42 0.22 -0.10 -0.33 0.09 0.00 0.00 178.44 178.74 2jnb h GLU 64 N 0.00 0.00 -0.72 1.13 5.08 -1.97 0.24 114.58 118.35 2jnb h GLU 64 Ca -0.05 -0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.51 2jnb h GLU 64 Cb 1.21 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2jnb h GLU 64 CO 0.02 0.00 0.52 -0.84 -1.00 0.00 0.00 179.01 177.71 2jnb h ILE 65 N 0.00 0.64 0.00 3.13 3.07 -1.99 0.28 117.51 122.65 2jnb h ILE 65 Ca 0.20 -0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.47 2jnb h ILE 65 Cb 0.31 0.64 -0.02 0.00 -0.27 0.00 0.00 36.82 37.47 2jnb h ILE 65 CO -0.43 0.00 -1.24 0.40 -1.05 0.00 0.00 178.15 175.84 2jnb h ILE 66 N 0.00 0.49 0.00 0.16 2.04 -0.97 -3.33 117.51 115.90 2jnb h ILE 66 Ca 0.34 -1.91 -0.05 0.00 1.00 0.00 0.00 64.86 64.25 2jnb h ILE 66 Cb 1.37 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2jnb h ILE 66 CO -0.01 0.28 -0.24 0.25 0.00 0.00 0.00 178.15 178.43 2jnb h LEU 67 N 0.00 0.00 -0.38 1.44 6.46 0.25 -3.10 115.31 119.98 2jnb h LEU 67 Ca -0.12 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.57 2jnb h LEU 67 Cb 1.49 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.41 2jnb h LEU 67 CO 0.04 0.24 -0.31 -0.74 -0.62 0.00 0.00 178.44 177.06 2jnb h HIS 68 N 0.00 0.00 0.16 1.25 2.76 -1.12 -3.32 115.15 114.88 2jnb h HIS 68 Ca -0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2jnb h HIS 68 Cb 1.05 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.97 2jnb h HIS 68 CO 0.00 0.31 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.35 2jnb h LEU 69 N 0.00 -1.53 -9.59 0.26 3.38 -1.66 -3.41 115.31 102.76 2jnb h LEU 69 Ca -0.00 0.16 -0.53 0.00 0.09 0.00 0.00 57.88 57.60 2jnb h LEU 69 Cb 1.09 0.56 0.03 0.00 0.09 0.00 0.00 40.66 42.43 2jnb h LEU 69 CO 0.04 -0.56 0.68 -2.16 0.09 0.00 0.00 178.44 176.53 2jnb s PRO 70 N -5.80 4.35 -0.13 1.13 0.04 -1.25 -4.93 135.00 128.41 2jnb s PRO 70 Ca -0.17 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 2jnb s PRO 70 Cb 0.06 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 2jnb s PRO 70 CO 0.61 -0.35 0.07 -0.07 0.04 0.00 0.00 177.00 177.30 2jnb h LEU 71 N 6.28 0.00 0.00 -3.56 3.38 -1.89 -3.47 115.31 116.06 2jnb h LEU 71 Ca -0.43 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2jnb h LEU 71 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2jnb h LEU 71 CO 0.83 0.79 0.00 0.18 0.09 0.00 0.00 178.44 180.33 2jnb n LEU 72 N -4.65 0.00 -3.64 1.67 7.99 -1.26 -5.15 117.00 111.95 2jnb n LEU 72 Ca -0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.89 2jnb n LEU 72 Cb 0.25 -0.11 -0.01 0.00 -0.11 0.00 0.00 43.42 43.44 2jnb n LEU 72 CO 0.11 -0.27 0.90 0.00 -1.51 0.00 0.00 177.39 176.62 2jnb h GLU 74 N 2.00 0.67 0.00 0.00 4.11 -1.92 0.27 114.58 119.70 2jnb h GLU 74 Ca -0.24 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 2jnb h GLU 74 Cb 1.21 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jnb h GLU 74 CO 0.27 0.44 -0.07 0.22 0.07 0.00 0.00 179.01 179.94 2jnb h ASP 75 N 0.69 0.00 -0.69 3.06 3.58 -1.94 -3.08 116.42 118.04 2jnb h ASP 75 Ca 0.43 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.58 2jnb h ASP 75 Cb 0.69 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 41.56 2jnb h ASP 75 CO -0.19 0.07 0.39 1.17 -2.88 0.00 0.00 179.24 177.80 2jnb n LYS 76 N -3.14 2.39 -2.32 0.28 3.00 0.92 -4.94 118.16 114.35 2jnb n LYS 76 Ca 0.02 -2.30 -0.00 0.00 -0.00 0.00 0.00 58.31 56.03 2jnb n LYS 76 Cb 0.47 -1.93 -0.00 0.00 0.00 0.00 0.00 35.03 33.56 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 -0.48 -5.95 -3.33 3.14 5.15 -1.14 -4.63 115.26 108.02 2jnb n ASN 77 Ca 0.40 0.98 -0.13 0.00 -0.60 0.00 0.00 54.58 55.23 2jnb n ASN 77 Cb 1.30 -3.95 -0.06 0.00 -0.53 0.00 0.00 39.78 36.54 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 -1.09 -0.47 0.23 3.44 1.01 -1.24 -4.84 120.40 117.45 2jnb s VAL 78 Ca -0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2jnb s VAL 78 Cb 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 2jnb s VAL 78 CO 0.53 -0.47 1.28 -2.16 0.00 0.00 0.00 175.10 174.29 2jnb s PRO 79 N 1.50 4.41 0.17 2.72 0.04 -1.26 -4.69 135.00 137.89 2jnb s PRO 79 Ca 0.17 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.06 2jnb s PRO 79 Cb -0.13 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.30 2jnb s PRO 79 CO -0.04 -0.19 0.94 2.48 0.04 0.00 0.00 177.00 180.23 2jnb n TYR 80 N 2.19 -1.30 -3.61 0.56 4.11 -1.26 -4.76 117.16 113.07 2jnb n TYR 80 Ca 0.04 -1.17 -0.05 0.00 -0.00 0.00 0.00 57.90 56.72 2jnb n TYR 80 Cb 0.43 0.57 -0.04 0.00 -0.00 0.00 0.00 39.34 40.30 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 -2.11 0.00 0.26 -3.48 0.11 -1.24 -4.93 120.40 109.02 2jnb s VAL 81 Ca 0.21 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.37 2jnb s VAL 81 Cb -0.03 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 2jnb s VAL 81 CO 0.05 0.00 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.33 2jnb s PHE 82 N -1.24 2.45 -0.13 1.54 0.08 -1.26 -2.80 117.98 116.64 2jnb s PHE 82 Ca 0.05 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 2jnb s PHE 82 Cb -0.01 -1.09 0.03 0.00 -0.57 0.00 0.00 43.02 41.38 2jnb s PHE 82 CO -0.04 0.65 0.33 0.14 -0.10 0.00 0.00 175.22 176.20 2jnb s VAL 83 N -2.32 -0.00 -0.76 -0.44 -7.23 -0.01 -4.16 120.40 105.49 2jnb s VAL 83 Ca 0.29 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.43 2jnb s VAL 83 Cb -0.06 -0.47 0.20 0.00 0.56 0.00 0.00 36.38 36.61 2jnb s VAL 83 CO 0.16 0.00 2.36 -1.14 -0.31 0.00 0.00 175.10 176.17 2jnb n ARG 84 N 2.91 3.11 -3.68 4.82 0.63 -1.26 -2.46 116.66 120.73 2jnb n ARG 84 Ca -0.13 -3.14 -0.09 0.00 -0.92 0.00 0.00 57.85 53.56 2jnb n ARG 84 Cb 0.58 -2.28 -0.10 0.00 0.45 0.00 0.00 32.46 31.11 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2jnb s SER 85 N -0.34 -0.58 0.00 6.15 1.04 -1.26 -5.04 113.70 113.67 2jnb s SER 85 Ca 0.54 1.05 0.00 0.00 0.48 0.00 0.00 55.95 58.01 2jnb s SER 85 Cb 0.36 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.49 2jnb s SER 85 CO -0.27 -0.21 0.00 2.29 0.98 0.00 0.00 173.24 176.03 2jnb n LYS 86 N 4.46 0.00 0.23 4.02 -0.00 -1.26 -4.52 118.16 121.09 2jnb n LYS 86 Ca -0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 57.96 2jnb n LYS 86 Cb 0.55 -0.72 -0.08 0.00 -0.00 0.00 0.00 35.03 34.78 2jnb n LYS 86 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2jnb h GLN 87 N 0.00 -0.56 -0.05 -1.58 4.15 -1.96 -1.25 115.11 113.86 2jnb h GLN 87 Ca 0.00 0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 2jnb h GLN 87 Cb 0.46 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2jnb h GLN 87 CO 0.00 -0.27 -0.63 0.00 -1.93 0.00 0.00 178.83 176.00 2jnb h ALA 88 N -0.35 0.84 -0.31 3.38 0.00 -1.99 -2.47 119.26 118.36 2jnb h ALA 88 Ca -0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 2jnb h ALA 88 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jnb h ALA 88 CO 0.10 0.75 -0.05 1.25 0.00 0.00 0.00 179.25 181.30 2jnb h LEU 89 N 0.14 0.46 0.01 0.00 5.85 -1.78 -0.44 115.31 119.56 2jnb h LEU 89 Ca -0.01 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2jnb h LEU 89 Cb 1.14 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2jnb h LEU 89 CO 0.10 0.57 -0.01 1.23 -0.34 0.00 0.00 178.44 179.98 2jnb h GLY 90 N 0.85 -0.02 1.63 3.75 0.00 -1.13 -3.13 103.07 105.03 2jnb h GLY 90 Ca 0.10 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.46 2jnb h GLY 90 CO 0.02 -0.01 0.20 0.07 0.00 0.00 0.00 176.54 176.82 2jnb h ARG 91 N -0.98 0.30 0.29 4.80 0.11 -1.46 -1.48 114.38 115.96 2jnb h ARG 91 Ca -0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2jnb h ARG 91 Cb 0.66 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.68 2jnb h ARG 91 CO 0.00 0.20 -0.14 0.00 0.10 0.00 0.00 179.97 180.13 2jnb h ALA 92 N 1.83 -0.39 0.00 0.08 0.00 -1.18 -2.77 119.26 116.84 2jnb h ALA 92 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jnb h ALA 92 Cb 0.10 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jnb h ALA 92 CO -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 179.25 178.58 2jnb n GLY 94 N -1.19 1.18 3.85 0.00 0.00 -0.83 -4.65 105.19 103.55 2jnb n GLY 94 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2jnb n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jnb s VAL 95 N -2.00 4.67 -0.37 1.61 1.01 -0.62 -4.98 120.40 119.73 2jnb s VAL 95 Ca 0.00 0.94 0.03 0.00 0.00 0.00 0.00 61.98 62.95 2jnb s VAL 95 Cb 0.00 -3.63 0.53 0.00 0.00 0.00 0.00 36.38 33.28 2jnb s VAL 95 CO 0.00 -0.25 1.76 -1.20 0.00 0.00 0.00 175.10 175.41 2jnb n SER 96 N -0.54 3.79 -3.50 3.32 7.64 -1.26 -4.31 113.62 118.75 2jnb n SER 96 Ca 0.04 -3.31 -0.11 0.00 1.01 0.00 0.00 58.87 56.50 2jnb n SER 96 Cb 0.53 -0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 2jnb n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jnb s ARG 97 N -2.68 0.91 -0.65 1.43 1.70 -1.26 -5.11 118.95 113.30 2jnb s ARG 97 Ca 0.46 -0.21 -0.26 0.00 -0.47 0.00 0.00 55.73 55.25 2jnb s ARG 97 Cb 0.39 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 35.17 2jnb s ARG 97 CO 0.08 -0.37 1.87 -1.25 -1.08 0.00 0.00 175.30 174.55 2jnb s PRO 98 N -2.76 2.62 0.40 3.89 0.04 -1.26 -4.71 135.00 133.22 2jnb s PRO 98 Ca 0.01 0.50 -0.25 0.00 0.04 0.00 0.00 61.00 61.31 2jnb s PRO 98 Cb -0.01 -4.47 -0.08 0.00 0.04 0.00 0.00 34.50 29.98 2jnb s PRO 98 CO -0.06 -2.81 1.17 0.54 0.04 0.00 0.00 177.00 175.87 2jnb s VAL 99 N 9.21 3.16 -0.02 -0.36 0.11 -1.26 -4.95 120.40 126.29 2jnb s VAL 99 Ca 0.68 0.97 0.03 0.00 -2.93 0.00 0.00 61.98 60.73 2jnb s VAL 99 Cb -0.12 -3.54 -0.05 0.00 -1.53 0.00 0.00 36.38 31.14 2jnb s VAL 99 CO 0.18 0.08 0.05 2.30 -3.33 0.00 0.00 175.10 174.38 2jnb n ILE 100 N 0.04 0.11 -3.59 7.04 -5.35 -1.26 -4.68 119.36 111.66 2jnb n ILE 100 Ca 0.04 -0.11 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 2jnb n ILE 100 Cb 0.47 -0.19 -0.12 0.00 -1.74 0.00 0.00 39.64 38.06 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 -2.18 -0.63 0.38 -1.28 0.00 -1.26 -0.08 121.76 116.71 2jnb s ALA 101 Ca -0.02 0.86 0.07 0.00 0.00 0.00 0.00 51.96 52.88 2jnb s ALA 101 Cb 0.02 -1.18 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 2jnb s ALA 101 CO 0.15 -0.83 -0.00 0.00 0.00 0.00 0.00 175.76 175.08 2jnb s SER 103 N -3.65 1.20 -0.16 0.00 0.15 0.11 -1.95 113.70 109.40 2jnb s SER 103 Ca 0.35 -1.00 -0.01 0.00 0.70 0.00 0.00 55.95 55.98 2jnb s SER 103 Cb 0.08 0.08 0.05 0.00 -1.71 0.00 0.00 66.02 64.52 2jnb s SER 103 CO 0.17 -0.45 -0.02 -0.69 1.20 0.00 0.00 173.24 173.45 2jnb s VAL 104 N -3.56 0.88 -0.03 4.45 1.01 -1.07 -3.36 120.40 118.72 2jnb s VAL 104 Ca 0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2jnb s VAL 104 Cb 0.05 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2jnb s VAL 104 CO -0.04 0.05 0.09 0.42 0.00 0.00 0.00 175.10 175.62 2jnb s THR 105 N 1.73 4.88 -0.04 3.92 -4.23 -1.26 -3.09 115.64 117.54 2jnb s THR 105 Ca 0.01 -0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 2jnb s THR 105 Cb -0.15 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 2jnb s THR 105 CO -0.07 0.40 0.14 -0.51 -0.54 0.00 0.00 174.62 174.04 2jnb s ILE 106 N -1.16 5.27 -0.19 2.99 2.07 -1.22 -4.95 121.20 124.00 2jnb s ILE 106 Ca 0.22 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.36 2jnb s ILE 106 Cb -0.12 -3.40 0.03 0.00 0.13 0.00 0.00 42.46 39.11 2jnb s ILE 106 CO 0.12 0.43 -0.15 -1.59 -1.91 0.00 0.00 174.94 171.84 2jnb s LYS 107 N -1.59 2.47 0.10 3.50 -2.85 -1.26 -4.91 119.74 115.19 2jnb s LYS 107 Ca 0.22 -0.86 -0.35 0.00 -1.00 0.00 0.00 55.97 53.98 2jnb s LYS 107 Cb -0.12 -2.48 -0.15 0.00 -2.06 0.00 0.00 37.83 33.02 2jnb s LYS 107 CO 0.13 -0.33 1.50 0.39 0.10 0.00 0.00 175.35 177.13 2jnb n GLU 108 N 4.64 1.69 0.00 1.78 4.71 -1.26 -1.53 120.64 130.67 2jnb n GLU 108 Ca -0.17 0.61 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 2jnb n GLU 108 Cb 0.48 -2.33 0.00 0.00 -1.01 0.00 0.00 31.44 28.58 2jnb n GLU 108 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jnb n GLY 109 N 3.10 2.90 3.84 0.62 0.00 -1.26 -5.08 105.19 109.32 2jnb n GLY 109 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.39 6.83 0.46 1.61 0.01 -0.58 -4.97 113.70 115.67 2jnb s SER 110 Ca 0.00 1.19 0.25 0.00 1.31 0.00 0.00 55.95 58.70 2jnb s SER 110 Cb 0.00 -2.33 1.06 0.00 0.21 0.00 0.00 66.02 64.96 2jnb s SER 110 CO 0.00 -0.04 1.89 0.06 0.41 0.00 0.00 173.24 175.56 2jnb h GLN 111 N 2.94 0.00 -0.15 12.44 -0.00 -1.98 -2.81 115.11 125.55 2jnb h GLN 111 Ca -0.48 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.22 2jnb h GLN 111 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.66 2jnb h GLN 111 CO 0.66 0.20 0.20 1.25 -0.00 0.00 0.00 178.83 181.14 2jnb h LEU 112 N 0.00 0.00 -1.97 0.06 6.46 -1.93 -1.17 115.31 116.76 2jnb h LEU 112 Ca -0.00 0.00 0.24 0.00 -0.12 0.00 0.00 57.88 58.00 2jnb h LEU 112 Cb 0.64 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 2jnb h LEU 112 CO 0.03 0.00 0.60 0.07 -0.62 0.00 0.00 178.44 178.51 2jnb h LYS 113 N 0.00 0.02 0.08 1.25 5.09 -1.81 0.34 116.57 121.54 2jnb h LYS 113 Ca 0.07 -0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.55 2jnb h LYS 113 Cb 0.48 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.79 2jnb h LYS 113 CO -0.00 0.02 -1.23 0.37 -2.09 0.00 0.00 179.45 176.51 2jnb h GLN 114 N 0.02 0.17 0.09 0.07 4.15 -1.46 -3.20 115.11 114.95 2jnb h GLN 114 Ca 0.40 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 2jnb h GLN 114 Cb 1.56 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.36 2jnb h GLN 114 CO -0.01 1.10 -0.04 1.96 -1.93 0.00 0.00 178.83 179.90 2jnb h GLN 115 N 0.05 -0.12 -0.89 1.69 4.20 -0.62 -3.21 115.11 116.21 2jnb h GLN 115 Ca -0.12 0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.83 2jnb h GLN 115 Cb 1.92 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.67 2jnb h GLN 115 CO 0.17 0.42 0.61 0.82 -0.67 0.00 0.00 178.83 180.17 2jnb h ILE 116 N -0.85 0.62 -0.41 2.54 2.04 -0.69 0.24 117.51 120.99 2jnb h ILE 116 Ca -0.01 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 2jnb h ILE 116 Cb 0.58 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2jnb h ILE 116 CO 0.02 0.04 -0.06 1.56 0.00 0.00 0.00 178.15 179.71 2jnb h GLN 117 N 0.22 0.69 0.09 2.37 4.20 -1.59 -3.08 115.11 118.02 2jnb h GLN 117 Ca 0.45 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2jnb h GLN 117 Cb 1.41 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2jnb h GLN 117 CO -0.11 0.75 -0.05 0.77 -0.67 0.00 0.00 178.83 179.53 2jnb h SER 118 N 0.64 -0.11 -0.85 1.46 0.02 -0.52 -2.52 113.55 111.67 2jnb h SER 118 Ca 0.12 -0.12 0.24 0.00 -0.84 0.00 0.00 61.79 61.19 2jnb h SER 118 Cb 0.49 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2jnb h SER 118 CO 0.03 0.05 0.60 0.40 -1.14 0.00 0.00 176.83 176.77 2jnb h ILE 119 N -0.26 0.60 -0.41 3.27 1.08 -1.44 0.24 117.51 120.59 2jnb h ILE 119 Ca -0.01 -0.02 -0.09 0.00 -0.39 0.00 0.00 64.86 64.34 2jnb h ILE 119 Cb 0.22 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2jnb h ILE 119 CO 0.02 0.01 -0.13 -0.61 -0.69 0.00 0.00 178.15 176.76 2jnb h GLN 120 N 0.07 0.74 -0.40 2.37 4.15 -1.37 -2.95 115.11 117.71 2jnb h GLN 120 Ca 0.41 -0.25 0.01 0.00 0.77 0.00 0.00 58.65 59.59 2jnb h GLN 120 Cb 1.53 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.14 2jnb h GLN 120 CO -0.03 0.84 0.25 0.37 -1.93 0.00 0.00 178.83 178.32 2jnb h GLN 121 N 0.67 0.49 -0.86 1.69 4.15 -0.44 -0.75 115.11 120.06 2jnb h GLN 121 Ca 0.11 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.52 2jnb h GLN 121 Cb 0.60 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 2jnb h GLN 121 CO 0.04 0.32 0.57 0.77 -1.93 0.00 0.00 178.83 178.60 2jnb h SER 122 N 0.50 0.95 -0.38 -0.69 0.02 -1.45 -1.34 113.55 111.16 2jnb h SER 122 Ca 0.15 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 2jnb h SER 122 Cb -0.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2jnb h SER 122 CO -0.06 0.67 -0.22 0.40 -1.14 0.00 0.00 176.83 176.49 2jnb h ILE 123 N 1.12 1.28 -0.46 3.27 2.04 -1.26 -3.03 117.51 120.47 2jnb h ILE 123 Ca 0.33 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 2jnb h ILE 123 Cb -0.05 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2jnb h ILE 123 CO -0.09 0.45 0.11 -0.08 0.00 0.00 0.00 178.15 178.55 2jnb h GLU 124 N 0.62 0.68 -0.92 2.37 4.81 -0.61 0.16 114.58 121.69 2jnb h GLU 124 Ca 0.08 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2jnb h GLU 124 Cb 0.78 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.99 2jnb h GLU 124 CO 0.06 0.62 0.58 0.00 -0.73 0.00 0.00 179.01 179.55 2jnb h ARG 125 N 0.67 1.04 0.00 1.92 3.08 -1.14 0.64 114.38 120.59 2jnb h ARG 125 Ca 0.15 -0.06 -0.26 0.00 0.07 0.00 0.00 59.98 59.88 2jnb h ARG 125 Cb 0.25 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2jnb h ARG 125 CO -0.00 0.69 -1.42 -0.07 -1.07 0.00 0.00 179.97 178.10 2jnb h LEU 126 N 1.07 0.02 0.27 3.04 3.38 -1.44 -3.38 115.31 118.26 2jnb h LEU 126 Ca 0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2jnb h LEU 126 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jnb h LEU 126 CO -0.17 1.02 -0.13 -0.07 0.09 0.00 0.00 178.44 179.18 2jnb h LEU 127 N 0.00 -0.31 0.00 1.67 -0.00 -0.18 -3.47 115.31 113.02 2jnb h LEU 127 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2jnb h LEU 127 Cb 1.92 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.66 2jnb h LEU 127 CO 0.10 -0.16 0.00 0.52 -0.00 0.00 0.00 178.44 178.90