#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 -8.71 -2.68 2.03 -1.04 -1.26 -4.99 114.28 97.62 2jnb n THR 2 Ca 0.00 -0.14 -0.05 0.00 -2.04 0.00 0.00 64.05 61.82 2jnb n THR 2 Cb 0.00 -6.07 0.07 0.00 -1.82 0.00 0.00 70.33 62.51 2jnb n THR 2 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2jnb n GLU 3 N -1.87 0.23 -3.34 -2.82 2.13 -1.26 -5.11 120.64 108.61 2jnb n GLU 3 Ca -0.06 -0.86 -0.46 0.00 0.66 0.00 0.00 57.16 56.43 2jnb n GLU 3 Cb 0.54 -0.42 -0.04 0.00 0.27 0.00 0.00 31.44 31.79 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jnb s ALA 4 N 0.19 3.78 -0.20 4.31 0.00 -1.26 -4.74 121.76 123.85 2jnb s ALA 4 Ca 0.27 -2.82 0.07 0.00 0.00 0.00 0.00 51.96 49.48 2jnb s ALA 4 Cb 0.22 -3.32 0.24 0.00 0.00 0.00 0.00 23.12 20.25 2jnb s ALA 4 CO -0.11 -2.10 1.26 -3.47 0.00 0.00 0.00 175.76 171.33 2jnb n ASP 5 N 4.76 -1.18 -4.34 0.00 2.03 -1.26 -5.14 116.55 111.42 2jnb n ASP 5 Ca -0.04 -2.01 -0.21 0.00 0.52 0.00 0.00 54.79 53.05 2jnb n ASP 5 Cb 0.42 0.50 -0.11 0.00 -0.72 0.00 0.00 41.12 41.21 2jnb n ASP 5 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jnb s VAL 6 N 0.07 1.83 0.90 5.18 -7.23 -1.26 -5.13 120.40 114.76 2jnb s VAL 6 Ca 0.05 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.12 2jnb s VAL 6 Cb 0.26 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 35.33 2jnb s VAL 6 CO -0.07 -0.35 0.39 -0.46 -0.31 0.00 0.00 175.10 174.29 2jnb n ASN 7 N 0.19 -2.04 -0.12 4.85 0.23 -1.26 -4.92 115.26 112.19 2jnb n ASN 7 Ca -0.12 0.38 -0.13 0.00 -0.53 0.00 0.00 54.58 54.18 2jnb n ASN 7 Cb 0.58 -1.19 -0.03 0.00 -2.08 0.00 0.00 39.78 37.06 2jnb n ASN 7 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2jnb h PRO 8 N -1.26 0.89 -2.63 -0.53 0.13 -2.00 -3.47 132.00 123.12 2jnb h PRO 8 Ca -0.44 -0.46 -0.33 0.00 -0.87 0.00 0.00 66.00 63.89 2jnb h PRO 8 Cb 1.30 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 2jnb h PRO 8 CO 0.36 1.11 -0.38 1.17 -0.23 0.00 0.00 178.00 180.03 2jnb n LYS 9 N -4.11 -1.75 -3.36 0.86 0.00 -1.26 -1.04 118.16 107.50 2jnb n LYS 9 Ca -0.03 0.86 -0.22 0.00 0.00 0.00 0.00 58.31 58.93 2jnb n LYS 9 Cb 0.52 -5.38 0.06 0.00 0.00 0.00 0.00 35.03 30.24 2jnb n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jnb n ALA 10 N -1.04 -1.12 -2.35 3.14 0.00 -1.26 -5.00 120.51 112.88 2jnb n ALA 10 Ca -0.18 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 2jnb n ALA 10 Cb 0.61 -4.75 -0.10 0.00 0.00 0.00 0.00 19.45 15.21 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 -3.25 1.72 0.57 0.00 1.51 -0.21 -4.03 117.35 113.66 2jnb s TYR 11 Ca 0.47 -0.57 -0.18 0.00 -1.01 0.00 0.00 57.07 55.78 2jnb s TYR 11 Cb -0.21 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 2jnb s TYR 11 CO 0.58 0.37 1.12 -1.25 -1.11 0.00 0.00 175.55 175.26 2jnb s PRO 12 N -3.64 3.22 -0.24 -1.71 0.04 -1.26 -4.91 135.00 126.50 2jnb s PRO 12 Ca 0.23 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.73 2jnb s PRO 12 Cb -0.01 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2jnb s PRO 12 CO 0.07 -0.95 0.11 -1.17 0.04 0.00 0.00 177.00 175.11 2jnb s LEU 13 N -4.07 3.81 0.08 -3.56 2.96 -1.26 -3.22 118.68 113.42 2jnb s LEU 13 Ca 0.71 -0.02 -0.32 0.00 -0.22 0.00 0.00 54.13 54.28 2jnb s LEU 13 Cb -0.23 -2.02 -0.11 0.00 0.50 0.00 0.00 46.19 44.34 2jnb s LEU 13 CO 0.31 0.04 1.85 0.00 -1.32 0.00 0.00 176.35 177.23 2jnb n ALA 14 N 4.47 1.85 -1.52 5.97 0.00 -0.85 -4.97 120.51 125.46 2jnb n ALA 14 Ca -0.16 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 2jnb n ALA 14 Cb 0.52 -2.58 0.19 0.00 0.00 0.00 0.00 19.45 17.57 2jnb n ALA 14 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jnb s ASP 15 N 3.11 2.55 0.26 0.00 -4.77 -1.26 -4.68 116.67 111.88 2jnb s ASP 15 Ca 0.84 0.63 -0.04 0.00 -3.30 0.00 0.00 52.55 50.68 2jnb s ASP 15 Cb -0.51 -0.92 0.34 0.00 -1.09 0.00 0.00 42.92 40.74 2jnb s ASP 15 CO 0.40 -3.12 1.90 0.00 0.70 0.00 0.00 175.17 175.05 2jnb h ALA 16 N -1.89 1.33 -0.12 2.11 0.00 -1.99 0.15 119.26 118.85 2jnb h ALA 16 Ca -0.47 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2jnb h ALA 16 Cb 1.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2jnb h ALA 16 CO 0.45 0.51 -0.38 1.25 0.00 0.00 0.00 179.25 181.09 2jnb h HIS 17 N 1.23 0.28 -0.01 0.00 6.17 -2.01 -2.66 115.15 118.16 2jnb h HIS 17 Ca 0.40 -0.07 -0.18 0.00 0.71 0.00 0.00 60.37 61.23 2jnb h HIS 17 Cb 0.05 -0.07 0.01 0.00 2.52 0.00 0.00 27.41 29.92 2jnb h HIS 17 CO -0.00 0.59 -0.70 -0.07 0.71 0.00 0.00 177.93 178.46 2jnb h LEU 18 N 0.21 0.62 -0.89 0.26 3.38 -1.62 -3.28 115.31 114.00 2jnb h LEU 18 Ca 0.02 -0.75 0.05 0.00 0.09 0.00 0.00 57.88 57.30 2jnb h LEU 18 Cb 0.76 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2jnb h LEU 18 CO 0.06 1.29 0.56 0.71 0.09 0.00 0.00 178.44 181.15 2jnb h THR 19 N 0.02 1.08 -0.39 0.22 1.35 -0.69 0.23 112.91 114.73 2jnb h THR 19 Ca -0.08 -0.36 0.08 0.00 -0.55 0.00 0.00 66.41 65.49 2jnb h THR 19 Cb 1.39 -0.05 -0.07 0.00 -1.73 0.00 0.00 68.15 67.69 2jnb h THR 19 CO 0.14 0.19 -0.03 0.11 -0.25 0.00 0.00 175.52 175.67 2jnb h LYS 20 N 1.04 0.06 -0.05 4.72 1.57 -1.54 0.19 116.57 122.57 2jnb h LYS 20 Ca 0.37 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.94 2jnb h LYS 20 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jnb h LYS 20 CO -0.15 0.04 -0.85 0.87 -0.57 0.00 0.00 179.45 178.79 2jnb h LYS 21 N 0.07 0.48 -0.12 3.15 1.57 -1.50 -3.21 116.57 117.01 2jnb h LYS 21 Ca 0.19 -0.45 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2jnb h LYS 21 Cb 0.28 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2jnb h LYS 21 CO -0.35 1.09 0.04 1.25 -0.57 0.00 0.00 179.45 180.91 2jnb h LEU 22 N 0.30 0.04 -1.45 2.94 5.85 0.15 -1.77 115.31 121.39 2jnb h LEU 22 Ca -0.06 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.78 2jnb h LEU 22 Cb 1.47 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 2jnb h LEU 22 CO 0.15 0.04 0.49 -0.07 -0.34 0.00 0.00 178.44 178.72 2jnb h LEU 23 N 0.10 0.55 -0.93 2.25 3.38 -0.71 0.57 115.31 120.52 2jnb h LEU 23 Ca 0.05 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2jnb h LEU 23 Cb 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2jnb h LEU 23 CO -0.05 0.32 -0.51 -0.78 0.09 0.00 0.00 178.44 177.51 2jnb h ASP 24 N 0.61 0.00 -0.27 -0.43 1.82 -1.39 -3.18 116.42 113.58 2jnb h ASP 24 Ca 0.35 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 57.04 2jnb h ASP 24 Cb 0.54 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.51 2jnb h ASP 24 CO -0.13 0.51 -0.01 0.25 -1.61 0.00 0.00 179.24 178.26 2jnb h LEU 25 N 0.00 -0.12 -0.29 2.28 7.12 -0.05 -1.89 115.31 122.36 2jnb h LEU 25 Ca -0.01 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.13 2jnb h LEU 25 Cb 0.94 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 41.12 2jnb h LEU 25 CO 0.07 -0.03 -0.15 0.58 -0.13 0.00 0.00 178.44 178.78 2jnb h VAL 26 N 0.07 0.55 -0.27 1.05 2.07 -1.53 0.53 116.25 118.72 2jnb h VAL 26 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2jnb h VAL 26 Cb 0.17 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2jnb h VAL 26 CO -0.22 0.00 0.19 -0.61 0.02 0.00 0.00 177.57 176.95 2jnb h GLN 27 N -0.11 0.06 -0.02 1.57 5.75 -1.55 -0.30 115.11 120.51 2jnb h GLN 27 Ca 0.15 -0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.48 2jnb h GLN 27 Cb 0.34 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 2jnb h GLN 27 CO -0.36 0.04 -0.74 1.96 -2.65 0.00 0.00 178.83 177.08 2jnb h GLN 28 N 0.06 0.13 0.12 1.69 4.20 -0.15 -2.31 115.11 118.84 2jnb h GLN 28 Ca 0.12 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2jnb h GLN 28 Cb 0.42 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2jnb h GLN 28 CO -0.01 0.81 -0.06 1.03 -0.67 0.00 0.00 178.83 179.93 2jnb h SER 29 N 0.08 -0.14 0.45 1.46 0.87 0.27 -3.03 113.55 113.52 2jnb h SER 29 Ca -0.02 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 2jnb h SER 29 Cb 1.30 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 2jnb h SER 29 CO 0.11 0.20 -0.26 0.00 -0.53 0.00 0.00 176.83 176.35 2jnb h ASN 31 N 0.00 0.11 -0.83 0.00 2.35 -1.29 -0.65 115.58 115.27 2jnb h ASN 31 Ca -0.00 -0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.40 2jnb h ASN 31 Cb 0.55 -0.03 -0.21 0.00 0.05 0.00 0.00 38.32 38.69 2jnb h ASN 31 CO 0.03 0.08 0.44 0.00 -1.65 0.00 0.00 177.43 176.33 2jnb n TYR 32 N -4.52 2.66 -3.45 1.19 4.19 -0.98 -4.89 117.16 111.37 2jnb n TYR 32 Ca -0.01 -1.45 -0.24 0.00 3.31 0.00 0.00 57.90 59.50 2jnb n TYR 32 Cb 0.11 -0.79 0.06 0.00 0.49 0.00 0.00 39.34 39.20 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2jnb n LYS 33 N -0.56 -6.57 -4.38 2.98 5.02 -0.25 -4.99 118.16 109.40 2jnb n LYS 33 Ca 0.48 0.82 -0.21 0.00 -2.02 0.00 0.00 58.31 57.38 2jnb n LYS 33 Cb 1.49 -5.78 -0.16 0.00 -0.02 0.00 0.00 35.03 30.56 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 -6.15 1.02 -0.19 1.97 -0.21 -0.70 -5.01 119.66 110.39 2jnb s GLN 34 Ca 0.50 -0.29 -0.29 0.00 0.02 0.00 0.00 55.36 55.30 2jnb s GLN 34 Cb -0.23 -0.94 0.13 0.00 1.00 0.00 0.00 33.01 32.97 2jnb s GLN 34 CO 0.62 0.08 1.02 -1.17 -2.12 0.00 0.00 175.29 173.72 2jnb s LEU 35 N 0.32 -0.37 -0.18 2.90 0.20 -1.26 -1.50 118.68 118.78 2jnb s LEU 35 Ca -0.05 0.48 -0.04 0.00 0.69 0.00 0.00 54.13 55.21 2jnb s LEU 35 Cb -0.10 1.84 0.08 0.00 -0.43 0.00 0.00 46.19 47.58 2jnb s LEU 35 CO 0.01 -0.29 0.19 -0.60 -0.29 0.00 0.00 176.35 175.37 2jnb s ARG 36 N -0.83 0.15 -0.66 1.98 6.06 -1.21 -5.02 118.95 119.42 2jnb s ARG 36 Ca -0.00 0.21 0.02 0.00 -2.50 0.00 0.00 55.73 53.46 2jnb s ARG 36 Cb -0.01 -1.17 0.16 0.00 0.06 0.00 0.00 34.95 33.99 2jnb s ARG 36 CO -0.00 -0.61 0.46 0.15 -2.50 0.00 0.00 175.30 172.80 2jnb s LYS 37 N 2.29 2.48 -0.25 5.12 1.02 -1.26 -1.78 119.74 127.36 2jnb s LYS 37 Ca 0.05 -2.92 -0.27 0.00 0.02 0.00 0.00 55.97 52.85 2jnb s LYS 37 Cb -0.15 -3.56 0.15 0.00 -0.52 0.00 0.00 37.83 33.76 2jnb s LYS 37 CO -0.11 -1.20 1.19 0.20 -0.92 0.00 0.00 175.35 174.51 2jnb s GLY 38 N -0.38 -0.00 -0.01 -3.33 0.00 -1.21 -4.99 107.32 97.39 2jnb s GLY 38 Ca 0.21 2.76 -0.22 0.00 0.00 0.00 0.00 44.72 47.47 2jnb s GLY 38 CO -0.08 1.51 1.12 0.00 0.00 0.00 0.00 173.10 175.65 2jnb h ALA 39 N 3.08 0.09 0.02 3.20 0.00 -1.97 -3.14 119.26 120.54 2jnb h ALA 39 Ca -0.21 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 53.97 2jnb h ALA 39 Cb 1.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2jnb h ALA 39 CO 0.20 0.20 -1.17 -2.95 0.00 0.00 0.00 179.25 175.53 2jnb h ASN 40 N -0.24 0.08 0.04 0.00 7.08 -1.95 -3.26 115.58 117.33 2jnb h ASN 40 Ca -0.04 -0.09 -0.01 0.00 -3.08 0.00 0.00 56.30 53.09 2jnb h ASN 40 Cb 1.08 -0.02 -0.00 0.00 -2.08 0.00 0.00 38.32 37.29 2jnb h ASN 40 CO 0.08 1.07 -0.03 -0.33 -2.08 0.00 0.00 177.43 176.14 2jnb h GLU 41 N 0.01 0.00 -0.26 4.14 5.08 -1.95 -1.51 114.58 120.09 2jnb h GLU 41 Ca -0.08 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2jnb h GLU 41 Cb 1.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 2jnb h GLU 41 CO 0.13 0.03 0.28 0.00 -1.00 0.00 0.00 179.01 178.45 2jnb h ALA 42 N 1.97 1.92 0.06 3.43 0.00 -1.59 0.33 119.26 125.39 2jnb h ALA 42 Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2jnb h ALA 42 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jnb h ALA 42 CO 0.00 -0.42 -1.08 1.79 0.00 0.00 0.00 179.25 179.54 2jnb h THR 43 N 0.00 1.46 -0.28 0.00 1.35 -1.49 -3.30 112.91 110.64 2jnb h THR 43 Ca 0.12 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2jnb h THR 43 Cb 0.69 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.78 2jnb h THR 43 CO -0.00 0.81 0.18 0.11 -0.25 0.00 0.00 175.52 176.37 2jnb h LYS 44 N 0.14 0.36 -0.76 4.72 1.79 -1.03 0.24 116.57 122.04 2jnb h LYS 44 Ca -0.10 -0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.48 2jnb h LYS 44 Cb 1.76 -0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 32.24 2jnb h LYS 44 CO 0.18 0.24 0.32 1.79 -1.08 0.00 0.00 179.45 180.89 2jnb h THR 45 N 0.37 0.68 -0.01 -0.16 1.35 -1.60 -1.35 112.91 112.19 2jnb h THR 45 Ca 0.10 -0.16 -0.26 0.00 -0.55 0.00 0.00 66.41 65.54 2jnb h THR 45 Cb -0.04 0.17 0.02 0.00 -1.73 0.00 0.00 68.15 66.57 2jnb h THR 45 CO -0.03 0.09 -1.02 0.25 -0.25 0.00 0.00 175.52 174.56 2jnb h LEU 46 N 0.47 0.85 -2.12 3.87 5.85 -1.55 -2.53 115.31 120.14 2jnb h LEU 46 Ca 0.41 -0.67 0.08 0.00 0.84 0.00 0.00 57.88 58.54 2jnb h LEU 46 Cb 0.60 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2jnb h LEU 46 CO -0.39 1.47 0.29 -1.13 -0.34 0.00 0.00 178.44 178.34 2jnb h ASN 47 N 0.37 0.00 0.94 1.25 -0.73 0.52 0.20 115.58 118.13 2jnb h ASN 47 Ca -0.12 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.93 2jnb h ASN 47 Cb 1.66 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.23 2jnb h ASN 47 CO 0.20 0.00 -1.13 0.03 -0.37 0.00 0.00 177.43 176.16 2jnb h ARG 48 N 0.00 0.00 -0.24 6.67 3.08 -1.26 -3.49 114.38 119.14 2jnb h ARG 48 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2jnb h ARG 48 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2jnb h ARG 48 CO -0.00 0.28 0.00 0.41 -1.07 0.00 0.00 179.97 179.59 2jnb n GLY 49 N 1.32 0.99 0.48 0.04 0.00 0.70 -5.01 105.19 103.71 2jnb n GLY 49 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.60 0.00 -2.77 -0.61 -6.64 -0.97 -5.05 119.36 102.73 2jnb n ILE 50 Ca 0.00 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.56 2jnb n ILE 50 Cb 0.12 0.39 -0.03 0.00 -1.44 0.00 0.00 39.64 38.67 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 -0.73 6.21 0.07 7.28 0.15 -1.13 -3.94 113.70 121.61 2jnb s SER 51 Ca 0.00 -0.94 -0.20 0.00 0.70 0.00 0.00 55.95 55.51 2jnb s SER 51 Cb 0.00 -2.46 -0.11 0.00 -1.71 0.00 0.00 66.02 61.74 2jnb s SER 51 CO 0.00 -1.52 1.50 -0.08 1.20 0.00 0.00 173.24 174.33 2jnb h GLU 52 N 9.65 0.31 -1.93 5.44 4.57 -1.89 -3.47 114.58 127.26 2jnb h GLU 52 Ca -0.24 -0.10 0.30 0.00 -1.18 0.00 0.00 59.36 58.14 2jnb h GLU 52 Cb 1.06 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.54 2jnb h GLU 52 CO 1.21 0.53 0.80 -0.59 -1.18 0.00 0.00 179.01 179.78 2jnb s PHE 53 N -4.97 -0.00 -0.04 0.92 -0.71 -1.23 -5.04 117.98 106.90 2jnb s PHE 53 Ca -0.14 -0.16 -0.06 0.00 -1.04 0.00 0.00 56.93 55.53 2jnb s PHE 53 Cb 0.06 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.46 2jnb s PHE 53 CO 0.72 -0.40 0.14 0.42 -1.34 0.00 0.00 175.22 174.77 2jnb s ILE 54 N -2.27 0.02 0.11 -4.49 1.09 -1.26 -2.39 121.20 112.01 2jnb s ILE 54 Ca 0.21 -0.19 0.07 0.00 -1.10 0.00 0.00 60.65 59.65 2jnb s ILE 54 Cb 0.01 -0.27 -0.04 0.00 -1.06 0.00 0.00 42.46 41.11 2jnb s ILE 54 CO -0.01 -0.10 -0.18 0.54 -0.10 0.00 0.00 174.94 175.09 2jnb s VAL 55 N -0.30 1.54 0.37 2.92 0.11 -1.16 -3.95 120.40 119.93 2jnb s VAL 55 Ca -0.04 -1.57 -0.09 0.00 -2.93 0.00 0.00 61.98 57.35 2jnb s VAL 55 Cb -0.03 -1.49 0.03 0.00 -1.53 0.00 0.00 36.38 33.36 2jnb s VAL 55 CO 0.00 -0.19 0.64 0.00 -3.33 0.00 0.00 175.10 172.23 2jnb s MET 56 N -2.12 2.11 -0.10 1.54 0.23 -1.25 -2.15 119.30 117.57 2jnb s MET 56 Ca 0.06 -1.62 -0.15 0.00 -1.03 0.00 0.00 55.69 52.96 2jnb s MET 56 Cb -0.09 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.71 2jnb s MET 56 CO 0.04 -0.94 0.36 0.00 -2.03 0.00 0.00 175.02 172.46 2jnb s ALA 57 N -2.61 3.62 0.58 3.16 0.00 -1.12 -3.70 121.76 121.69 2jnb s ALA 57 Ca 0.23 -0.33 0.28 0.00 0.00 0.00 0.00 51.96 52.14 2jnb s ALA 57 Cb -0.03 -2.42 1.56 0.00 0.00 0.00 0.00 23.12 22.23 2jnb s ALA 57 CO 0.16 0.23 2.03 0.00 0.00 0.00 0.00 175.76 178.17 2jnb h ALA 58 N 5.96 2.01 -0.39 0.00 0.00 -1.94 -0.28 119.26 124.62 2jnb h ALA 58 Ca -0.45 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 2jnb h ALA 58 Cb 1.19 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 2jnb h ALA 58 CO 0.70 -0.46 -0.61 -0.25 0.00 0.00 0.00 179.25 178.62 2jnb n ASP 59 N -3.86 3.40 -4.72 0.00 8.00 -1.26 -5.02 116.55 113.08 2jnb n ASP 59 Ca 0.05 -3.83 -0.37 0.00 0.71 0.00 0.00 54.79 51.35 2jnb n ASP 59 Cb 0.46 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jnb s ALA 60 N -3.42 3.55 0.24 2.24 0.00 -0.12 -5.08 121.76 119.17 2jnb s ALA 60 Ca 0.45 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.14 2jnb s ALA 60 Cb 0.39 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2jnb s ALA 60 CO -0.01 0.04 -0.18 -1.83 0.00 0.00 0.00 175.76 173.78 2jnb s GLU 61 N 0.57 1.52 0.35 0.00 -1.05 -1.26 -3.78 118.70 115.05 2jnb s GLU 61 Ca 0.20 -1.67 -0.28 0.00 -0.15 0.00 0.00 54.97 53.07 2jnb s GLU 61 Cb -0.14 -1.51 -0.09 0.00 -0.44 0.00 0.00 34.13 31.95 2jnb s GLU 61 CO 0.06 0.28 1.21 -1.25 0.95 0.00 0.00 175.26 176.51 2jnb s PRO 62 N -3.49 4.29 0.06 -4.83 0.04 -1.26 -4.94 135.00 124.88 2jnb s PRO 62 Ca 0.26 1.99 0.15 0.00 0.04 0.00 0.00 61.00 63.44 2jnb s PRO 62 Cb -0.04 -2.95 -0.14 0.00 0.04 0.00 0.00 34.50 31.42 2jnb s PRO 62 CO 0.11 -0.16 0.87 1.25 0.04 0.00 0.00 177.00 179.12 2jnb h LEU 63 N 3.19 0.00 -0.25 -3.56 5.85 -1.99 -3.36 115.31 115.18 2jnb h LEU 63 Ca -0.48 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.29 2jnb h LEU 63 Cb 1.23 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2jnb h LEU 63 CO 0.65 0.70 -0.07 -0.33 -0.34 0.00 0.00 178.44 179.05 2jnb h GLU 64 N 0.00 -0.01 -0.17 1.25 5.08 -1.99 -0.78 114.58 117.96 2jnb h GLU 64 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2jnb h GLU 64 Cb 1.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 2jnb h GLU 64 CO 0.06 -0.00 0.11 0.82 -1.00 0.00 0.00 179.01 179.00 2jnb h ILE 65 N -0.01 1.04 0.00 3.13 2.04 -2.01 -0.40 117.51 121.31 2jnb h ILE 65 Ca 0.12 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2jnb h ILE 65 Cb 0.19 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2jnb h ILE 65 CO -0.26 0.04 -0.16 0.40 0.00 0.00 0.00 178.15 178.17 2jnb h ILE 66 N 0.22 0.37 0.00 -0.67 2.04 -1.33 -2.80 117.51 115.35 2jnb h ILE 66 Ca 0.06 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 2jnb h ILE 66 Cb -0.01 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2jnb h ILE 66 CO -0.01 0.16 -0.09 0.25 0.00 0.00 0.00 178.15 178.46 2jnb h LEU 67 N 0.00 0.00 -0.40 1.44 5.85 -0.16 -2.90 115.31 119.15 2jnb h LEU 67 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 2jnb h LEU 67 Cb 0.76 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2jnb h LEU 67 CO 0.02 0.09 -0.70 -0.74 -0.34 0.00 0.00 178.44 176.77 2jnb h HIS 68 N 0.00 0.00 0.18 1.25 2.76 -1.48 -3.32 115.15 114.54 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 0.71 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.62 2jnb h HIS 68 CO 0.00 0.70 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.74 2jnb h LEU 69 N 0.00 -1.54 -9.89 0.26 3.38 -1.60 -3.41 115.31 102.50 2jnb h LEU 69 Ca -0.01 0.16 -0.51 0.00 0.09 0.00 0.00 57.88 57.61 2jnb h LEU 69 Cb 1.36 0.56 0.05 0.00 0.09 0.00 0.00 40.66 42.72 2jnb h LEU 69 CO 0.09 -0.57 0.55 -2.16 0.09 0.00 0.00 178.44 176.44 2jnb s PRO 70 N -5.80 4.28 -0.14 1.13 0.04 -1.25 -4.99 135.00 128.27 2jnb s PRO 70 Ca -0.17 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 2jnb s PRO 70 Cb 0.06 -2.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 2jnb s PRO 70 CO 0.61 -0.17 0.12 -0.07 0.04 0.00 0.00 177.00 177.53 2jnb h LEU 71 N 3.15 0.00 0.00 -3.56 3.38 -1.88 -3.47 115.31 112.94 2jnb h LEU 71 Ca -0.48 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2jnb h LEU 71 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2jnb h LEU 71 CO 0.64 0.83 0.00 0.18 0.09 0.00 0.00 178.44 180.18 2jnb n LEU 72 N -4.64 0.00 -3.95 1.67 7.99 -1.26 -5.14 117.00 111.67 2jnb n LEU 72 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.81 2jnb n LEU 72 Cb 0.28 -0.15 -0.03 0.00 -0.11 0.00 0.00 43.42 43.41 2jnb n LEU 72 CO 0.12 -0.33 0.30 0.00 -1.51 0.00 0.00 177.39 175.97 2jnb h GLU 74 N 2.12 1.06 0.00 0.00 4.11 -1.95 -2.08 114.58 117.84 2jnb h GLU 74 Ca -0.27 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2jnb h GLU 74 Cb 1.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2jnb h GLU 74 CO 0.35 0.91 -0.83 -0.40 0.07 0.00 0.00 179.01 179.11 2jnb n ASP 75 N -4.26 0.65 0.00 3.06 5.75 -1.26 -2.61 116.55 117.88 2jnb n ASP 75 Ca 0.05 -0.06 -0.16 0.00 -0.01 0.00 0.00 54.79 54.61 2jnb n ASP 75 Cb 0.23 0.50 -0.06 0.00 -1.03 0.00 0.00 41.12 40.76 2jnb n ASP 75 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2jnb h LYS 76 N 0.00 0.71 0.00 0.11 1.79 -1.85 -3.44 116.57 113.88 2jnb h LYS 76 Ca 0.00 -0.60 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 2jnb h LYS 76 Cb 0.73 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2jnb h LYS 76 CO 0.00 1.21 0.00 0.09 -1.08 0.00 0.00 179.45 179.67 2jnb n ASN 77 N -3.90 0.00 -3.48 0.86 3.02 -0.88 -4.88 115.26 106.00 2jnb n ASN 77 Ca -0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.19 2jnb n ASN 77 Cb 0.76 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.81 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jnb s VAL 78 N 0.00 0.24 -0.95 2.41 1.01 -0.84 -4.84 120.40 117.43 2jnb s VAL 78 Ca 0.00 -1.79 -0.24 0.00 0.00 0.00 0.00 61.98 59.95 2jnb s VAL 78 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 2jnb s VAL 78 CO 0.00 -0.99 1.94 -2.16 0.00 0.00 0.00 175.10 173.89 2jnb s PRO 79 N 1.00 2.55 0.36 2.72 0.04 -1.25 -4.19 135.00 136.22 2jnb s PRO 79 Ca 0.18 -0.45 0.09 0.00 0.04 0.00 0.00 61.00 60.86 2jnb s PRO 79 Cb -0.23 -5.10 -0.07 0.00 0.04 0.00 0.00 34.50 29.15 2jnb s PRO 79 CO 0.00 -3.47 -0.06 0.71 0.04 0.00 0.00 177.00 174.22 2jnb s TYR 80 N 10.20 2.40 -0.11 0.56 1.51 -1.26 -4.14 117.35 126.51 2jnb s TYR 80 Ca 0.70 -0.56 -0.12 0.00 -1.01 0.00 0.00 57.07 56.07 2jnb s TYR 80 Cb -0.06 -1.47 0.03 0.00 -0.11 0.00 0.00 41.96 40.36 2jnb s TYR 80 CO 0.02 0.52 0.33 0.14 -1.11 0.00 0.00 175.55 175.45 2jnb s VAL 81 N -2.67 0.01 -0.05 0.71 -7.23 -1.25 -4.80 120.40 105.11 2jnb s VAL 81 Ca 0.33 -0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 2jnb s VAL 81 Cb 0.05 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 2jnb s VAL 81 CO 0.17 -0.04 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.53 2jnb s PHE 82 N -0.06 3.06 0.31 2.82 0.40 -1.20 -3.77 117.98 119.54 2jnb s PHE 82 Ca -0.02 0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.48 2jnb s PHE 82 Cb -0.03 -1.72 -0.06 0.00 0.51 0.00 0.00 43.02 41.72 2jnb s PHE 82 CO 0.01 0.42 -0.06 0.14 0.70 0.00 0.00 175.22 176.43 2jnb s VAL 83 N -0.94 1.82 -0.68 -0.44 -7.23 -1.24 -2.00 120.40 109.69 2jnb s VAL 83 Ca 0.15 -2.14 -0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2jnb s VAL 83 Cb -0.11 -2.55 0.43 0.00 0.56 0.00 0.00 36.38 34.71 2jnb s VAL 83 CO 0.05 -0.24 1.99 -2.11 -0.31 0.00 0.00 175.10 174.48 2jnb n ARG 84 N -0.67 2.75 -3.65 4.82 1.85 -1.26 -3.62 116.66 116.88 2jnb n ARG 84 Ca -0.05 -3.38 -0.01 0.00 -1.00 0.00 0.00 57.85 53.41 2jnb n ARG 84 Cb 0.64 -2.29 -0.06 0.00 -1.05 0.00 0.00 32.46 29.70 2jnb n ARG 84 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jnb s SER 85 N -1.81 -0.27 -0.04 2.89 0.15 -1.26 -5.05 113.70 108.30 2jnb s SER 85 Ca 0.62 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.80 2jnb s SER 85 Cb 0.49 0.98 -0.11 0.00 -1.71 0.00 0.00 66.02 65.67 2jnb s SER 85 CO -0.07 -0.07 0.10 2.29 1.20 0.00 0.00 173.24 176.69 2jnb n LYS 86 N 3.08 1.52 0.09 5.44 0.00 -1.26 -4.44 118.16 122.59 2jnb n LYS 86 Ca -0.17 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.31 58.05 2jnb n LYS 86 Cb 0.57 -1.20 0.07 0.00 -0.00 0.00 0.00 35.03 34.47 2jnb n LYS 86 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2jnb h GLN 87 N 0.00 0.15 -0.12 -1.58 4.20 -1.93 -3.11 115.11 112.73 2jnb h GLN 87 Ca -0.10 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 2jnb h GLN 87 Cb 0.93 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 2jnb h GLN 87 CO 0.01 0.82 -0.07 0.00 -0.67 0.00 0.00 178.83 178.92 2jnb h ALA 88 N 1.14 0.17 -0.08 3.87 0.00 -1.98 -2.41 119.26 119.96 2jnb h ALA 88 Ca -0.02 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2jnb h ALA 88 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jnb h ALA 88 CO 0.11 -0.03 0.07 1.37 0.00 0.00 0.00 179.25 180.77 2jnb h LEU 89 N -0.10 0.00 0.07 0.00 8.10 -1.77 -1.99 115.31 119.61 2jnb h LEU 89 Ca 0.03 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.73 2jnb h LEU 89 Cb 0.55 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.79 2jnb h LEU 89 CO 0.02 0.00 -1.20 1.23 -4.11 0.00 0.00 178.44 174.38 2jnb h GLY 90 N 0.00 0.62 0.22 0.17 0.00 -1.45 -2.96 103.07 99.66 2jnb h GLY 90 Ca 0.04 -1.27 0.16 0.00 0.00 0.00 0.00 47.33 46.25 2jnb h GLY 90 CO -0.00 1.12 0.50 3.21 0.00 0.00 0.00 176.54 181.37 2jnb h ARG 91 N 0.25 0.67 0.00 4.80 3.08 -0.85 0.12 114.38 122.46 2jnb h ARG 91 Ca -0.16 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.71 2jnb h ARG 91 Cb 1.87 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 2jnb h ARG 91 CO 0.22 0.44 -0.65 0.00 -1.07 0.00 0.00 179.97 178.92 2jnb h ALA 92 N 1.58 0.67 -0.21 0.04 0.00 -1.62 -3.21 119.26 116.51 2jnb h ALA 92 Ca 0.50 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2jnb h ALA 92 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jnb h ALA 92 CO -0.36 0.81 -0.31 0.00 0.00 0.00 0.00 179.25 179.39 2jnb n GLY 94 N -0.29 1.68 3.24 0.00 0.00 -0.39 -5.06 105.19 104.37 2jnb n GLY 94 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2jnb n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jnb s VAL 95 N -2.00 1.63 0.19 1.61 0.11 -1.03 -5.04 120.40 115.87 2jnb s VAL 95 Ca 0.00 -1.13 -0.07 0.00 -2.93 0.00 0.00 61.98 57.85 2jnb s VAL 95 Cb 0.00 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.46 2jnb s VAL 95 CO 0.00 0.24 1.58 -1.28 -3.33 0.00 0.00 175.10 172.31 2jnb h SER 96 N 5.01 0.88 -2.71 3.54 0.87 -1.95 -3.33 113.55 115.85 2jnb h SER 96 Ca -0.42 -0.34 -0.47 0.00 -1.23 0.00 0.00 61.79 59.33 2jnb h SER 96 Cb 1.16 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2jnb h SER 96 CO 0.45 1.09 -0.21 -0.13 -0.53 0.00 0.00 176.83 177.50 2jnb s ARG 97 N -4.57 3.43 0.74 2.24 3.00 -1.26 -4.89 118.95 117.63 2jnb s ARG 97 Ca -0.10 -0.40 -0.12 0.00 0.00 0.00 0.00 55.73 55.11 2jnb s ARG 97 Cb 0.12 -2.68 0.04 0.00 0.00 0.00 0.00 34.95 32.44 2jnb s ARG 97 CO 0.85 0.13 1.10 -1.25 0.00 0.00 0.00 175.30 176.13 2jnb s PRO 98 N -4.30 2.42 0.11 3.54 0.04 -1.26 -4.74 135.00 130.81 2jnb s PRO 98 Ca 0.40 1.23 0.10 0.00 0.04 0.00 0.00 61.00 62.78 2jnb s PRO 98 Cb -0.10 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2jnb s PRO 98 CO 0.35 -1.53 -0.25 0.08 0.04 0.00 0.00 177.00 175.69 2jnb s VAL 99 N -2.74 2.34 -0.00 -0.36 1.01 -1.24 -5.00 120.40 114.41 2jnb s VAL 99 Ca 0.63 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2jnb s VAL 99 Cb -0.18 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2jnb s VAL 99 CO 0.52 0.14 0.66 0.40 0.00 0.00 0.00 175.10 176.82 2jnb h ILE 100 N 3.89 0.00 -3.29 2.22 1.08 -1.93 -3.42 117.51 116.06 2jnb h ILE 100 Ca -0.50 -0.07 -0.24 0.00 -0.39 0.00 0.00 64.86 63.66 2jnb h ILE 100 Cb 1.16 0.00 -0.31 0.00 -3.07 0.00 0.00 36.82 34.60 2jnb h ILE 100 CO 0.41 0.00 -0.60 0.00 -0.69 0.00 0.00 178.15 177.27 2jnb s ALA 101 N -3.29 -0.25 0.11 1.87 0.00 -1.26 -2.81 121.76 116.13 2jnb s ALA 101 Ca -0.02 0.62 0.10 0.00 0.00 0.00 0.00 51.96 52.66 2jnb s ALA 101 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2jnb s ALA 101 CO 0.06 -0.14 -0.24 0.00 0.00 0.00 0.00 175.76 175.44 2jnb s SER 103 N -1.98 6.14 -0.36 0.00 0.15 -0.73 -2.98 113.70 113.94 2jnb s SER 103 Ca 0.15 0.25 -0.08 0.00 0.70 0.00 0.00 55.95 56.97 2jnb s SER 103 Cb -0.10 -2.06 0.04 0.00 -1.71 0.00 0.00 66.02 62.19 2jnb s SER 103 CO 0.07 0.23 0.15 -0.69 1.20 0.00 0.00 173.24 174.19 2jnb s VAL 104 N 0.08 4.02 0.32 4.45 1.01 -1.00 -3.32 120.40 125.95 2jnb s VAL 104 Ca 0.09 -1.11 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 2jnb s VAL 104 Cb -0.11 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 2jnb s VAL 104 CO -0.01 -0.24 0.67 0.42 0.00 0.00 0.00 175.10 175.94 2jnb s THR 105 N 1.44 4.83 0.07 3.92 -4.23 -1.26 -2.94 115.64 117.45 2jnb s THR 105 Ca -0.00 0.60 0.06 0.00 -1.18 0.00 0.00 61.69 61.17 2jnb s THR 105 Cb -0.20 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 2jnb s THR 105 CO 0.04 -0.27 -0.09 -0.51 -0.54 0.00 0.00 174.62 173.25 2jnb s ILE 106 N -2.06 3.44 -0.34 2.99 2.07 -1.25 -4.92 121.20 121.12 2jnb s ILE 106 Ca 0.50 -1.09 0.02 0.00 -1.41 0.00 0.00 60.65 58.67 2jnb s ILE 106 Cb -0.11 -2.56 0.10 0.00 0.13 0.00 0.00 42.46 40.03 2jnb s ILE 106 CO 0.24 0.22 0.08 -0.75 -1.91 0.00 0.00 174.94 172.82 2jnb s LYS 107 N -1.89 1.18 0.07 3.50 2.20 -1.26 -5.04 119.74 118.50 2jnb s LYS 107 Ca 0.20 -1.58 -0.31 0.00 -0.36 0.00 0.00 55.97 53.92 2jnb s LYS 107 Cb -0.11 -2.70 -0.08 0.00 -1.51 0.00 0.00 37.83 33.43 2jnb s LYS 107 CO 0.11 -0.97 1.54 -2.00 -0.36 0.00 0.00 175.35 173.67 2jnb s GLU 108 N 1.14 4.24 0.00 4.03 2.12 -1.26 -3.89 118.70 125.07 2jnb s GLU 108 Ca 0.11 2.20 0.00 0.00 0.36 0.00 0.00 54.97 57.64 2jnb s GLU 108 Cb -0.19 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.71 2jnb s GLU 108 CO -0.14 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 2jnb n GLY 109 N 3.80 0.74 3.39 -1.50 0.00 -1.26 -5.11 105.19 105.24 2jnb n GLY 109 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 2jnb n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jnb s SER 110 N 0.00 2.82 0.58 1.61 0.15 -1.25 -5.02 113.70 112.59 2jnb s SER 110 Ca 0.00 -1.05 0.28 0.00 0.70 0.00 0.00 55.95 55.88 2jnb s SER 110 Cb 0.00 -0.18 1.57 0.00 -1.71 0.00 0.00 66.02 65.70 2jnb s SER 110 CO 0.00 -0.16 2.04 0.06 1.20 0.00 0.00 173.24 176.38 2jnb h GLN 111 N 2.45 0.00 -0.83 5.44 3.07 -2.01 -0.74 115.11 122.50 2jnb h GLN 111 Ca -0.39 0.00 0.20 0.00 0.09 0.00 0.00 58.65 58.55 2jnb h GLN 111 Cb 1.23 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.74 2jnb h GLN 111 CO 0.63 0.00 0.56 1.25 0.09 0.00 0.00 178.83 181.36 2jnb h LEU 112 N 0.00 0.26 -1.89 0.06 5.85 -1.95 0.24 115.31 117.87 2jnb h LEU 112 Ca 0.14 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.95 2jnb h LEU 112 Cb 0.72 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2jnb h LEU 112 CO -0.00 0.11 0.23 0.07 -0.34 0.00 0.00 178.44 178.51 2jnb h LYS 113 N 0.26 0.13 0.02 1.25 2.10 -1.36 -1.38 116.57 117.58 2jnb h LYS 113 Ca 0.41 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.94 2jnb h LYS 113 Cb 1.22 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 2jnb h LYS 113 CO -0.11 0.09 -0.48 1.96 -2.00 0.00 0.00 179.45 178.91 2jnb h GLN 114 N 0.13 0.30 -0.65 0.07 4.20 -0.71 -2.85 115.11 115.60 2jnb h GLN 114 Ca 0.15 -0.34 0.05 0.00 0.06 0.00 0.00 58.65 58.57 2jnb h GLN 114 Cb 0.43 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 2jnb h GLN 114 CO -0.02 1.05 0.38 1.96 -0.67 0.00 0.00 178.83 181.53 2jnb h GLN 115 N -0.30 0.69 -0.29 1.46 7.50 -1.27 0.24 115.11 123.14 2jnb h GLN 115 Ca -0.06 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 58.98 2jnb h GLN 115 Cb 1.23 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 28.59 2jnb h GLN 115 CO 0.09 0.46 -0.11 0.82 -1.50 0.00 0.00 178.83 178.59 2jnb h ILE 116 N 0.71 1.22 0.00 2.54 2.04 -1.36 -2.51 117.51 120.16 2jnb h ILE 116 Ca 0.28 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 65.03 2jnb h ILE 116 Cb 0.12 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2jnb h ILE 116 CO -0.15 0.32 -0.62 -0.61 0.00 0.00 0.00 178.15 177.09 2jnb h GLN 117 N 0.46 0.00 0.09 2.37 4.15 -1.06 -3.09 115.11 118.02 2jnb h GLN 117 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 2jnb h GLN 117 Cb 0.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2jnb h GLN 117 CO 0.03 0.62 -0.04 0.77 -1.93 0.00 0.00 178.83 178.28 2jnb h SER 118 N 0.00 -0.10 0.14 -0.69 0.02 -0.12 -2.42 113.55 110.38 2jnb h SER 118 Ca -0.01 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 2jnb h SER 118 Cb 1.35 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 2jnb h SER 118 CO 0.08 0.12 -0.18 -0.29 -1.14 0.00 0.00 176.83 175.42 2jnb h ILE 119 N -0.31 1.17 -0.29 3.27 2.10 -1.60 -2.84 117.51 119.00 2jnb h ILE 119 Ca -0.01 -0.77 -0.02 0.00 1.08 0.00 0.00 64.86 65.14 2jnb h ILE 119 Cb 0.26 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 2jnb h ILE 119 CO 0.02 0.23 0.12 -0.61 -1.08 0.00 0.00 178.15 176.83 2jnb h GLN 120 N 0.10 0.44 -0.99 2.19 4.15 -1.42 -2.72 115.11 116.85 2jnb h GLN 120 Ca 0.02 -0.08 0.17 0.00 0.77 0.00 0.00 58.65 59.53 2jnb h GLN 120 Cb 0.38 -0.07 -0.10 0.00 0.21 0.00 0.00 27.48 27.91 2jnb h GLN 120 CO 0.03 0.45 0.62 1.96 -1.93 0.00 0.00 178.83 179.95 2jnb h GLN 121 N 0.33 0.79 -0.49 1.69 1.08 -1.18 0.11 115.11 117.44 2jnb h GLN 121 Ca 0.10 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2jnb h GLN 121 Cb 0.17 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2jnb h GLN 121 CO -0.01 0.53 0.24 1.03 -0.95 0.00 0.00 178.83 179.67 2jnb h SER 122 N 0.82 0.61 -0.72 1.46 0.87 -1.50 -2.29 113.55 112.80 2jnb h SER 122 Ca 0.54 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.98 2jnb h SER 122 Cb 0.77 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2jnb h SER 122 CO -0.32 0.52 0.19 0.40 -0.53 0.00 0.00 176.83 177.08 2jnb h ILE 123 N 0.69 1.26 -0.88 2.23 2.04 -0.68 -2.78 117.51 119.39 2jnb h ILE 123 Ca 0.17 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2jnb h ILE 123 Cb 0.06 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 2jnb h ILE 123 CO -0.02 0.37 0.46 -0.08 0.00 0.00 0.00 178.15 178.87 2jnb h GLU 124 N 1.09 1.25 -0.24 2.37 4.81 -1.14 0.15 114.58 122.87 2jnb h GLU 124 Ca 0.23 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2jnb h GLU 124 Cb 0.36 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2jnb h GLU 124 CO -0.00 0.93 0.13 0.00 -0.73 0.00 0.00 179.01 179.34 2jnb h ARG 125 N 1.24 0.27 -0.08 1.92 3.08 -1.25 -2.17 114.38 117.39 2jnb h ARG 125 Ca 0.31 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.19 2jnb h ARG 125 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2jnb h ARG 125 CO -0.04 0.18 -0.60 -0.07 -1.07 0.00 0.00 179.97 178.36 2jnb h LEU 126 N 0.28 0.32 -0.01 3.04 3.38 -1.28 -3.23 115.31 117.81 2jnb h LEU 126 Ca 0.09 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jnb h LEU 126 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2jnb h LEU 126 CO -0.05 0.85 -0.15 -0.07 0.09 0.00 0.00 178.44 179.11 2jnb h LEU 127 N 0.21 -0.44 -1.83 1.67 3.38 -0.30 -3.43 115.31 114.57 2jnb h LEU 127 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jnb h LEU 127 Cb 1.11 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2jnb h LEU 127 CO 0.10 -0.21 0.00 0.52 0.09 0.00 0.00 178.44 178.94