#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 -0.34 -0.02 1.12 -4.23 -1.26 -4.97 115.64 105.95 2jnb s THR 2 Ca 0.00 -0.88 0.19 0.00 -1.18 0.00 0.00 61.69 59.82 2jnb s THR 2 Cb 0.00 -0.77 0.33 0.00 1.34 0.00 0.00 72.50 73.40 2jnb s THR 2 CO 0.00 -0.56 1.14 -1.84 -0.54 0.00 0.00 174.62 172.81 2jnb n GLU 3 N 4.52 0.17 -3.47 3.99 0.00 -1.26 -5.10 120.64 119.49 2jnb n GLU 3 Ca 0.08 -1.90 -0.22 0.00 0.00 0.00 0.00 57.16 55.11 2jnb n GLU 3 Cb 0.45 -0.28 0.02 0.00 0.00 0.00 0.00 31.44 31.62 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jnb s ALA 4 N -0.34 4.50 0.00 -1.84 0.00 -1.26 -5.11 121.76 117.71 2jnb s ALA 4 Ca 0.27 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2jnb s ALA 4 Cb 0.30 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2jnb s ALA 4 CO -0.12 -0.57 0.00 -0.25 0.00 0.00 0.00 175.76 174.82 2jnb n ASP 5 N -1.92 0.00 -3.48 0.00 9.92 -1.26 -4.99 116.55 114.81 2jnb n ASP 5 Ca 0.06 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.07 2jnb n ASP 5 Cb 0.63 -0.18 0.04 0.00 -0.64 0.00 0.00 41.12 40.97 2jnb n ASP 5 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2jnb n VAL 6 N -1.86 -2.21 -4.48 2.53 0.31 -1.26 -4.99 118.33 106.38 2jnb n VAL 6 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 2jnb n VAL 6 Cb 0.00 -3.29 -0.10 0.00 -0.91 0.00 0.00 33.84 29.54 2jnb n VAL 6 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2jnb s ASN 7 N -3.06 3.62 0.03 4.52 0.02 -1.26 -5.11 114.94 113.70 2jnb s ASN 7 Ca 0.50 -1.05 -0.30 0.00 -1.02 0.00 0.00 52.86 50.99 2jnb s ASN 7 Cb -0.24 -0.31 -0.06 0.00 0.02 0.00 0.00 41.25 40.66 2jnb s ASN 7 CO 0.62 0.01 1.43 -2.16 0.02 0.00 0.00 177.10 177.02 2jnb s PRO 8 N -3.52 4.28 -0.39 -0.60 0.04 -1.26 -4.92 135.00 128.63 2jnb s PRO 8 Ca 0.30 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 2jnb s PRO 8 Cb -0.04 -3.51 0.04 0.00 0.04 0.00 0.00 34.50 31.02 2jnb s PRO 8 CO 0.15 -0.56 2.80 1.63 0.04 0.00 0.00 177.00 181.05 2jnb n LYS 9 N 5.12 2.29 -1.43 4.56 5.02 -1.26 -3.90 118.16 128.57 2jnb n LYS 9 Ca 0.13 -2.11 -0.05 0.00 -2.02 0.00 0.00 58.31 54.27 2jnb n LYS 9 Cb 0.43 -2.07 -0.02 0.00 -0.02 0.00 0.00 35.03 33.35 2jnb n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jnb n ALA 10 N 1.01 3.43 -2.35 7.82 0.00 -1.26 -4.99 120.51 124.16 2jnb n ALA 10 Ca 0.46 -0.98 -0.19 0.00 0.00 0.00 0.00 53.44 52.74 2jnb n ALA 10 Cb 0.60 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.09 1.74 1.07 0.00 1.51 -1.25 -4.35 117.35 115.99 2jnb s TYR 11 Ca 0.06 -0.56 -0.14 0.00 -1.01 0.00 0.00 57.07 55.42 2jnb s TYR 11 Cb 0.14 -0.80 0.22 0.00 -0.11 0.00 0.00 41.96 41.41 2jnb s TYR 11 CO -0.04 0.38 1.10 -1.25 -1.11 0.00 0.00 175.55 174.62 2jnb s PRO 12 N -3.64 -0.15 -0.23 -1.71 0.04 -1.26 -4.70 135.00 123.35 2jnb s PRO 12 Ca 0.23 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 2jnb s PRO 12 Cb -0.01 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.91 2jnb s PRO 12 CO 0.07 -3.08 0.01 -1.17 0.04 0.00 0.00 177.00 172.87 2jnb s LEU 13 N -6.63 2.00 -0.08 -3.56 2.96 -1.26 -1.85 118.68 110.26 2jnb s LEU 13 Ca 0.67 -1.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 2jnb s LEU 13 Cb -0.16 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.60 2jnb s LEU 13 CO 0.57 -0.30 1.20 0.00 -1.32 0.00 0.00 176.35 176.51 2jnb s ALA 14 N 1.61 3.52 1.26 5.97 0.00 -1.25 -5.02 121.76 127.85 2jnb s ALA 14 Ca -0.01 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 2jnb s ALA 14 Cb -0.18 -3.53 0.31 0.00 0.00 0.00 0.00 23.12 19.72 2jnb s ALA 14 CO -0.10 -0.83 1.02 0.16 0.00 0.00 0.00 175.76 176.01 2jnb s ASP 15 N 1.55 0.30 0.48 0.00 -4.77 -1.26 -4.44 116.67 108.53 2jnb s ASP 15 Ca 0.55 0.97 0.14 0.00 -3.30 0.00 0.00 52.55 50.91 2jnb s ASP 15 Cb -0.24 -1.44 1.13 0.00 -1.09 0.00 0.00 42.92 41.28 2jnb s ASP 15 CO 0.20 -4.54 2.08 0.00 0.70 0.00 0.00 175.17 173.61 2jnb h ALA 16 N -2.86 1.97 0.02 2.11 0.00 -1.99 0.25 119.26 118.76 2jnb h ALA 16 Ca -0.50 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 2jnb h ALA 16 Cb 1.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2jnb h ALA 16 CO 0.39 -0.01 -0.96 1.25 0.00 0.00 0.00 179.25 179.91 2jnb h HIS 17 N 0.23 0.15 0.15 0.00 6.17 -2.02 -3.21 115.15 116.62 2jnb h HIS 17 Ca 0.11 -0.10 -0.31 0.00 0.71 0.00 0.00 60.37 60.79 2jnb h HIS 17 Cb 0.17 -0.01 0.03 0.00 2.52 0.00 0.00 27.41 30.12 2jnb h HIS 17 CO -0.00 1.00 -1.29 -0.07 0.71 0.00 0.00 177.93 178.27 2jnb h LEU 18 N 0.04 0.88 -2.45 0.26 -0.00 -1.54 -3.23 115.31 109.27 2jnb h LEU 18 Ca -0.04 -0.84 0.00 0.00 -0.00 0.00 0.00 57.88 57.00 2jnb h LEU 18 Cb 1.66 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 42.04 2jnb h LEU 18 CO 0.14 1.64 0.02 0.71 -0.00 0.00 0.00 178.44 180.94 2jnb h THR 19 N 0.24 0.53 0.35 0.22 1.35 -0.64 -0.35 112.91 114.61 2jnb h THR 19 Ca -0.20 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 2jnb h THR 19 Cb 1.97 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 2jnb h THR 19 CO 0.25 0.00 -0.17 0.50 -0.25 0.00 0.00 175.52 175.85 2jnb h LYS 20 N 0.00 -0.46 -0.08 4.72 3.64 -1.57 -0.53 116.57 122.30 2jnb h LYS 20 Ca 0.01 0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 2jnb h LYS 20 Cb 0.04 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2jnb h LYS 20 CO -0.00 -0.23 -0.77 1.57 -2.27 0.00 0.00 179.45 177.75 2jnb h LYS 21 N -0.60 0.50 -0.93 1.90 2.10 -1.59 -3.21 116.57 114.74 2jnb h LYS 21 Ca -0.05 -0.42 0.01 0.00 -2.00 0.00 0.00 60.65 58.19 2jnb h LYS 21 Cb 0.44 0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 31.82 2jnb h LYS 21 CO 0.08 1.06 0.61 1.25 -2.00 0.00 0.00 179.45 180.45 2jnb h LEU 22 N 0.33 1.06 -1.99 7.07 5.85 -1.04 -1.56 115.31 125.03 2jnb h LEU 22 Ca -0.04 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.78 2jnb h LEU 22 Cb 1.37 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2jnb h LEU 22 CO 0.14 0.77 0.33 -0.07 -0.34 0.00 0.00 178.44 179.27 2jnb h LEU 23 N 1.25 0.01 -1.49 2.25 4.07 -1.09 -0.34 115.31 119.97 2jnb h LEU 23 Ca 0.34 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.45 2jnb h LEU 23 Cb -0.14 -0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.54 2jnb h LEU 23 CO -0.08 0.00 0.53 -0.78 -1.08 0.00 0.00 178.44 177.03 2jnb h ASP 24 N 0.01 0.47 -0.85 -0.43 3.58 -1.38 0.01 116.42 117.84 2jnb h ASP 24 Ca 0.22 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.74 2jnb h ASP 24 Cb 0.88 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.81 2jnb h ASP 24 CO -0.00 0.24 0.56 0.25 -2.88 0.00 0.00 179.24 177.41 2jnb h LEU 25 N 0.50 0.89 0.11 2.28 7.12 -1.18 0.23 115.31 125.27 2jnb h LEU 25 Ca 0.39 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.39 2jnb h LEU 25 Cb 0.81 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 2jnb h LEU 25 CO -0.14 0.61 -0.06 0.58 -0.13 0.00 0.00 178.44 179.30 2jnb h VAL 26 N 1.03 1.08 -0.04 1.05 2.07 -1.13 -1.53 116.25 118.78 2jnb h VAL 26 Ca 0.35 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2jnb h VAL 26 Cb 0.07 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2jnb h VAL 26 CO -0.11 0.22 -0.11 -0.61 0.02 0.00 0.00 177.57 176.98 2jnb h GLN 27 N -0.61 0.06 -0.01 1.57 4.15 -1.23 -1.90 115.11 117.14 2jnb h GLN 27 Ca -0.02 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.22 2jnb h GLN 27 Cb 0.48 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 2jnb h GLN 27 CO 0.03 0.17 -0.78 1.96 -1.93 0.00 0.00 178.83 178.28 2jnb h GLN 28 N 0.06 0.12 0.12 1.69 1.08 -0.49 -2.58 115.11 115.12 2jnb h GLN 28 Ca 0.01 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2jnb h GLN 28 Cb 0.23 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2jnb h GLN 28 CO 0.01 0.83 -0.06 1.03 -0.95 0.00 0.00 178.83 179.70 2jnb h SER 29 N 0.08 -0.14 0.28 1.46 0.87 -0.49 -3.07 113.55 112.54 2jnb h SER 29 Ca -0.02 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.18 2jnb h SER 29 Cb 1.36 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2jnb h SER 29 CO 0.11 0.27 -0.16 0.00 -0.53 0.00 0.00 176.83 176.52 2jnb h ASN 31 N 0.00 0.00 -0.67 0.00 -0.73 -1.36 -0.72 115.58 112.10 2jnb h ASN 31 Ca -0.00 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 57.94 2jnb h ASN 31 Cb 0.34 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.79 2jnb h ASN 31 CO 0.02 0.03 0.25 -1.22 -0.37 0.00 0.00 177.43 176.14 2jnb n TYR 32 N -3.92 2.19 -3.41 0.67 4.01 -0.76 -4.91 117.16 111.04 2jnb n TYR 32 Ca -0.03 -1.30 -0.23 0.00 -0.16 0.00 0.00 57.90 56.18 2jnb n TYR 32 Cb 0.12 -0.66 0.07 0.00 -0.31 0.00 0.00 39.34 38.56 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2jnb n LYS 33 N -0.45 -6.99 -4.02 -0.72 5.02 -0.28 -5.00 118.16 105.73 2jnb n LYS 33 Ca 0.40 0.85 -0.16 0.00 -2.02 0.00 0.00 58.31 57.38 2jnb n LYS 33 Cb 1.33 -5.84 -0.15 0.00 -0.02 0.00 0.00 35.03 30.35 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 -6.12 0.35 0.12 1.97 -0.21 -0.89 -5.01 119.66 109.87 2jnb s GLN 34 Ca 0.50 -0.04 -0.26 0.00 0.02 0.00 0.00 55.36 55.58 2jnb s GLN 34 Cb -0.22 -0.43 0.08 0.00 1.00 0.00 0.00 33.01 33.44 2jnb s GLN 34 CO 0.61 -0.03 1.05 -0.51 -2.12 0.00 0.00 175.29 174.30 2jnb s LEU 35 N 0.50 -0.11 -0.29 2.90 1.43 -1.26 -1.37 118.68 120.48 2jnb s LEU 35 Ca -0.05 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 2jnb s LEU 35 Cb -0.08 1.95 0.14 0.00 0.03 0.00 0.00 46.19 48.23 2jnb s LEU 35 CO -0.01 -0.77 0.98 -0.60 0.23 0.00 0.00 176.35 176.18 2jnb s ARG 36 N -2.87 0.41 -0.25 1.70 6.06 -1.25 -4.96 118.95 117.79 2jnb s ARG 36 Ca 0.15 0.66 -0.03 0.00 -2.50 0.00 0.00 55.73 54.01 2jnb s ARG 36 Cb -0.00 0.11 0.08 0.00 0.06 0.00 0.00 34.95 35.20 2jnb s ARG 36 CO 0.01 -0.08 0.08 0.15 -2.50 0.00 0.00 175.30 172.97 2jnb s LYS 37 N 1.13 0.47 -0.29 5.12 3.01 -1.26 -1.97 119.74 125.95 2jnb s LYS 37 Ca -0.07 -0.59 -0.16 0.00 -1.01 0.00 0.00 55.97 54.15 2jnb s LYS 37 Cb -0.04 -1.79 0.17 0.00 -1.01 0.00 0.00 37.83 35.16 2jnb s LYS 37 CO -0.14 -0.84 1.08 0.20 0.51 0.00 0.00 175.35 176.17 2jnb s GLY 38 N 1.89 0.21 -0.02 -3.33 0.00 -0.99 -4.99 107.32 100.10 2jnb s GLY 38 Ca 0.05 3.39 -0.18 0.00 0.00 0.00 0.00 44.72 47.98 2jnb s GLY 38 CO -0.20 2.74 0.80 0.00 0.00 0.00 0.00 173.10 176.43 2jnb h ALA 39 N 5.90 -0.70 0.00 3.20 0.00 -1.95 -3.06 119.26 122.65 2jnb h ALA 39 Ca -0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2jnb h ALA 39 Cb 1.17 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2jnb h ALA 39 CO 0.20 -0.65 -0.24 -0.97 0.00 0.00 0.00 179.25 177.58 2jnb h ASN 40 N -1.09 0.00 0.18 0.00 -1.24 -1.97 -2.54 115.58 108.91 2jnb h ASN 40 Ca -0.07 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 2jnb h ASN 40 Cb 0.50 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 2jnb h ASN 40 CO 0.11 0.24 -0.11 -0.33 -1.29 0.00 0.00 177.43 176.05 2jnb h GLU 41 N 0.00 0.00 -1.00 6.67 5.08 -1.95 -2.56 114.58 120.82 2jnb h GLU 41 Ca -0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 2jnb h GLU 41 Cb 0.59 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 2jnb h GLU 41 CO 0.03 0.11 0.61 0.00 -1.00 0.00 0.00 179.01 178.77 2jnb h ALA 42 N 1.89 1.64 0.00 3.43 0.00 -1.34 0.32 119.26 125.20 2jnb h ALA 42 Ca -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2jnb h ALA 42 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2jnb h ALA 42 CO 0.01 -0.00 -0.39 1.79 0.00 0.00 0.00 179.25 180.66 2jnb h THR 43 N 0.80 1.16 0.08 0.00 1.35 -1.65 -2.95 112.91 111.71 2jnb h THR 43 Ca 0.57 -1.40 -0.13 0.00 -0.55 0.00 0.00 66.41 64.90 2jnb h THR 43 Cb 0.83 1.78 0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2jnb h THR 43 CO -0.36 0.38 -0.57 0.50 -0.25 0.00 0.00 175.52 175.22 2jnb h LYS 44 N 0.00 0.24 -0.77 4.72 3.64 -0.61 -2.65 116.57 121.14 2jnb h LYS 44 Ca -0.00 -0.37 0.14 0.00 -1.27 0.00 0.00 60.65 59.15 2jnb h LYS 44 Cb 0.75 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.60 2jnb h LYS 44 CO 0.05 1.15 0.34 1.79 -2.27 0.00 0.00 179.45 180.50 2jnb h THR 45 N -0.48 0.69 -0.00 1.00 1.35 -0.68 0.62 112.91 115.40 2jnb h THR 45 Ca -0.09 -0.17 -0.16 0.00 -0.55 0.00 0.00 66.41 65.44 2jnb h THR 45 Cb 1.41 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 2jnb h THR 45 CO 0.11 0.09 -0.74 0.25 -0.25 0.00 0.00 175.52 174.97 2jnb h LEU 46 N 0.49 0.04 -1.39 3.87 6.46 -1.62 -2.49 115.31 120.67 2jnb h LEU 46 Ca 0.42 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.10 2jnb h LEU 46 Cb 0.62 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2jnb h LEU 46 CO -0.38 0.77 -0.25 0.78 -0.62 0.00 0.00 178.44 178.73 2jnb h ASN 47 N 0.02 0.00 1.02 1.25 -0.26 -0.57 -2.66 115.58 114.38 2jnb h ASN 47 Ca -0.01 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 2jnb h ASN 47 Cb 1.31 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.55 2jnb h ASN 47 CO 0.10 0.25 -1.04 0.03 -1.06 0.00 0.00 177.43 175.71 2jnb h ARG 48 N 0.00 0.00 -0.18 0.81 3.08 -0.97 -3.48 114.38 113.63 2jnb h ARG 48 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jnb h ARG 48 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2jnb h ARG 48 CO 0.03 0.31 0.00 0.41 -1.07 0.00 0.00 179.97 179.65 2jnb n GLY 49 N 1.31 1.19 0.00 0.04 0.00 -1.00 -4.99 105.19 101.74 2jnb n GLY 49 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.53 0.19 -3.04 -0.61 -6.64 -0.96 -5.01 119.36 101.76 2jnb n ILE 50 Ca 0.00 -0.35 -0.43 0.00 -1.77 0.00 0.00 62.75 60.20 2jnb n ILE 50 Cb 0.19 1.22 -0.06 0.00 -1.44 0.00 0.00 39.64 39.54 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 -0.19 6.34 -0.13 7.28 0.15 -1.10 -4.03 113.70 122.03 2jnb s SER 51 Ca 0.00 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.38 2jnb s SER 51 Cb 0.00 -2.35 -0.14 0.00 -1.71 0.00 0.00 66.02 61.82 2jnb s SER 51 CO 0.00 -0.89 -0.01 1.21 1.20 0.00 0.00 173.24 174.75 2jnb n GLU 52 N 6.54 1.57 -3.79 5.44 4.07 -1.20 -4.85 120.64 128.42 2jnb n GLU 52 Ca -0.01 0.02 -0.13 0.00 -0.06 0.00 0.00 57.16 56.98 2jnb n GLU 52 Cb 0.48 -1.31 -0.14 0.00 -0.06 0.00 0.00 31.44 30.40 2jnb n GLU 52 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2jnb s PHE 53 N -2.30 -0.08 -0.06 4.31 0.08 -1.15 -5.03 117.98 113.75 2jnb s PHE 53 Ca -0.10 0.28 -0.05 0.00 0.12 0.00 0.00 56.93 57.17 2jnb s PHE 53 Cb 0.04 -0.08 0.01 0.00 -0.57 0.00 0.00 43.02 42.43 2jnb s PHE 53 CO 0.46 -0.10 0.15 0.42 -0.10 0.00 0.00 175.22 176.05 2jnb s ILE 54 N 0.69 -0.00 0.06 0.64 1.09 -1.26 -0.36 121.20 122.06 2jnb s ILE 54 Ca -0.05 0.00 0.05 0.00 -1.10 0.00 0.00 60.65 59.55 2jnb s ILE 54 Cb -0.07 -0.22 -0.03 0.00 -1.06 0.00 0.00 42.46 41.08 2jnb s ILE 54 CO -0.03 0.00 -0.14 -0.69 -0.10 0.00 0.00 174.94 173.98 2jnb s VAL 55 N 0.09 1.11 -0.02 2.92 1.01 -1.09 -3.27 120.40 121.16 2jnb s VAL 55 Ca -0.00 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.63 2jnb s VAL 55 Cb -0.01 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.37 2jnb s VAL 55 CO 0.00 -0.11 0.43 -0.32 0.00 0.00 0.00 175.10 175.10 2jnb s MET 56 N -1.44 0.82 -0.23 2.72 0.00 -1.17 -2.23 119.30 117.78 2jnb s MET 56 Ca -0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 55.69 55.31 2jnb s MET 56 Cb -0.09 0.37 -0.00 0.00 0.00 0.00 0.00 34.83 35.11 2jnb s MET 56 CO 0.02 -0.25 1.21 0.00 0.00 0.00 0.00 175.02 176.00 2jnb s ALA 57 N -1.47 3.57 0.61 4.11 0.00 -1.19 -0.22 121.76 127.17 2jnb s ALA 57 Ca -0.12 0.25 0.33 0.00 0.00 0.00 0.00 51.96 52.42 2jnb s ALA 57 Cb -0.03 -3.66 1.87 0.00 0.00 0.00 0.00 23.12 21.30 2jnb s ALA 57 CO 0.05 -1.35 2.18 0.00 0.00 0.00 0.00 175.76 176.64 2jnb h ALA 58 N 8.34 1.51 -0.86 0.00 0.00 -1.39 -0.35 119.26 126.51 2jnb h ALA 58 Ca -0.24 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.13 2jnb h ALA 58 Cb 1.09 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.60 2jnb h ALA 58 CO 1.00 -0.16 0.46 -3.47 0.00 0.00 0.00 179.25 177.07 2jnb n ASP 59 N -3.57 5.25 -4.47 0.00 -0.08 -1.26 -4.97 116.55 107.46 2jnb n ASP 59 Ca -0.01 -3.73 -0.28 0.00 -1.51 0.00 0.00 54.79 49.26 2jnb n ASP 59 Cb 0.21 -0.81 -0.11 0.00 2.34 0.00 0.00 41.12 42.75 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jnb s ALA 60 N -3.54 2.65 0.29 -1.67 0.00 -0.14 -5.14 121.76 114.21 2jnb s ALA 60 Ca 0.57 -1.47 0.11 0.00 0.00 0.00 0.00 51.96 51.17 2jnb s ALA 60 Cb 0.47 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 2jnb s ALA 60 CO 0.03 0.51 -0.16 -1.21 0.00 0.00 0.00 175.76 174.94 2jnb s GLU 61 N -2.41 1.76 0.67 0.00 2.02 -1.26 -4.14 118.70 115.33 2jnb s GLU 61 Ca 0.19 -1.77 -0.15 0.00 0.02 0.00 0.00 54.97 53.26 2jnb s GLU 61 Cb -0.09 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.35 2jnb s GLU 61 CO 0.10 0.29 1.11 -1.25 0.02 0.00 0.00 175.26 175.53 2jnb s PRO 62 N -3.55 2.75 0.01 0.39 0.04 -1.26 -5.11 135.00 128.28 2jnb s PRO 62 Ca 0.31 1.37 0.12 0.00 0.04 0.00 0.00 61.00 62.84 2jnb s PRO 62 Cb -0.04 -1.95 -0.20 0.00 0.04 0.00 0.00 34.50 32.35 2jnb s PRO 62 CO 0.16 -1.28 0.81 -0.07 0.04 0.00 0.00 177.00 176.65 2jnb h LEU 63 N -0.07 0.00 -1.01 -3.56 3.38 -2.00 -3.34 115.31 108.72 2jnb h LEU 63 Ca -0.46 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2jnb h LEU 63 Cb 1.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 2jnb h LEU 63 CO 0.54 0.92 0.66 -0.33 0.09 0.00 0.00 178.44 180.32 2jnb h GLU 64 N 0.00 1.26 0.00 1.13 5.08 -1.99 -1.52 114.58 118.53 2jnb h GLU 64 Ca -0.21 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 2jnb h GLU 64 Cb 1.89 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 2jnb h GLU 64 CO 0.08 0.83 -0.46 0.82 -1.00 0.00 0.00 179.01 179.29 2jnb h ILE 65 N 1.30 1.31 -0.04 3.13 2.04 -2.00 -2.71 117.51 120.54 2jnb h ILE 65 Ca 0.39 -1.57 0.01 0.00 1.00 0.00 0.00 64.86 64.69 2jnb h ILE 65 Cb -0.03 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2jnb h ILE 65 CO -0.12 0.45 0.07 0.40 0.00 0.00 0.00 178.15 178.95 2jnb h ILE 66 N 0.00 0.29 0.00 -0.67 1.08 -1.39 0.10 117.51 116.92 2jnb h ILE 66 Ca -0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 2jnb h ILE 66 Cb 0.81 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 2jnb h ILE 66 CO 0.06 0.00 -0.29 0.25 -0.69 0.00 0.00 178.15 177.48 2jnb h LEU 67 N 0.00 0.00 -0.27 1.44 5.85 -1.48 -3.11 115.31 117.73 2jnb h LEU 67 Ca 0.02 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2jnb h LEU 67 Cb 0.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2jnb h LEU 67 CO -0.00 0.29 -0.45 -0.74 -0.34 0.00 0.00 178.44 177.20 2jnb h HIS 68 N 0.00 0.00 0.41 1.25 2.76 -0.92 -3.33 115.15 115.32 2jnb h HIS 68 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2jnb h HIS 68 Cb 1.09 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.02 2jnb h HIS 68 CO 0.00 0.45 -0.48 -0.07 -1.30 0.00 0.00 177.93 176.54 2jnb h LEU 69 N 0.00 -1.33-10.16 0.26 4.07 -1.46 -3.43 115.31 103.26 2jnb h LEU 69 Ca -0.00 0.12 -0.51 0.00 0.08 0.00 0.00 57.88 57.57 2jnb h LEU 69 Cb 1.24 0.45 0.09 0.00 1.08 0.00 0.00 40.66 43.52 2jnb h LEU 69 CO 0.06 -0.62 0.40 -2.16 -1.08 0.00 0.00 178.44 175.04 2jnb s PRO 70 N -5.89 3.02 -0.05 1.13 0.04 -1.25 -4.94 135.00 127.06 2jnb s PRO 70 Ca -0.17 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 2jnb s PRO 70 Cb 0.05 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 2jnb s PRO 70 CO 0.61 -1.09 0.71 -0.07 0.04 0.00 0.00 177.00 177.21 2jnb h LEU 71 N 0.49 -0.30 0.00 -3.56 3.38 -1.88 -3.45 115.31 109.99 2jnb h LEU 71 Ca -0.48 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2jnb h LEU 71 Cb 1.25 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2jnb h LEU 71 CO 0.55 0.19 0.00 0.18 0.09 0.00 0.00 178.44 179.45 2jnb n LEU 72 N -5.02 0.00 -3.58 1.67 4.77 -1.26 -5.10 117.00 108.49 2jnb n LEU 72 Ca -0.07 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 2jnb n LEU 72 Cb 0.23 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2jnb n LEU 72 CO 0.20 -0.27 0.87 0.00 -1.33 0.00 0.00 177.39 176.86 2jnb h GLU 74 N 2.23 0.00 0.00 0.00 3.07 -1.87 0.24 114.58 118.25 2jnb h GLU 74 Ca -0.15 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 2jnb h GLU 74 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 2jnb h GLU 74 CO 0.28 0.00 -0.23 0.22 -1.40 0.00 0.00 179.01 177.88 2jnb h ASP 75 N 0.00 0.00 -0.38 1.42 3.58 -1.95 -2.60 116.42 116.49 2jnb h ASP 75 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2jnb h ASP 75 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2jnb h ASP 75 CO -0.00 0.23 0.00 0.29 -2.88 0.00 0.00 179.24 176.87 2jnb n LYS 76 N -3.38 2.46 -3.07 0.28 4.01 0.83 -4.91 118.16 114.39 2jnb n LYS 76 Ca 0.00 -1.61 -0.13 0.00 -0.51 0.00 0.00 58.31 56.06 2jnb n LYS 76 Cb 0.44 -1.57 0.07 0.00 -0.51 0.00 0.00 35.03 33.46 2jnb n LYS 76 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2jnb n ASN 77 N 0.57 -2.51 -4.73 4.39 2.85 -0.98 -4.92 115.26 109.93 2jnb n ASN 77 Ca 0.15 -0.49 -0.42 0.00 -0.11 0.00 0.00 54.58 53.71 2jnb n ASN 77 Cb 0.53 -4.08 -0.03 0.00 1.24 0.00 0.00 39.78 37.44 2jnb n ASN 77 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2jnb s VAL 78 N -3.28 3.04 -1.08 3.44 0.11 -1.21 -4.89 120.40 116.53 2jnb s VAL 78 Ca 0.05 0.80 -0.23 0.00 -2.93 0.00 0.00 61.98 59.67 2jnb s VAL 78 Cb -0.01 -3.51 -0.11 0.00 -1.53 0.00 0.00 36.38 31.22 2jnb s VAL 78 CO 0.56 0.09 1.93 -0.81 -3.33 0.00 0.00 175.10 173.54 2jnb n PRO 79 N 3.24 1.56 -4.04 1.54 -0.04 -1.26 -4.81 135.00 131.19 2jnb n PRO 79 Ca 0.09 -2.32 -0.15 0.00 -0.04 0.00 0.00 63.50 61.09 2jnb n PRO 79 Cb 0.41 -3.55 -0.03 0.00 -0.04 0.00 0.00 33.50 30.30 2jnb n PRO 79 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jnb n TYR 80 N 12.89 -1.56 -3.68 0.54 4.02 -1.26 -4.87 117.16 123.24 2jnb n TYR 80 Ca 0.46 -2.39 -0.14 0.00 -0.01 0.00 0.00 57.90 55.82 2jnb n TYR 80 Cb 0.45 0.60 -0.08 0.00 -0.02 0.00 0.00 39.34 40.29 2jnb n TYR 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jnb s VAL 81 N -2.77 0.01 0.34 -0.72 0.11 -1.20 -4.18 120.40 111.99 2jnb s VAL 81 Ca 0.29 -0.08 0.09 0.00 -2.93 0.00 0.00 61.98 59.35 2jnb s VAL 81 Cb -0.01 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 34.03 2jnb s VAL 81 CO 0.21 -0.05 -0.07 -0.36 -3.33 0.00 0.00 175.10 171.50 2jnb s PHE 82 N -0.23 2.43 0.20 1.54 0.40 -0.77 -3.02 117.98 118.53 2jnb s PHE 82 Ca -0.04 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2jnb s PHE 82 Cb -0.03 -1.40 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 2jnb s PHE 82 CO 0.03 0.56 0.07 0.14 0.70 0.00 0.00 175.22 176.72 2jnb s VAL 83 N -2.59 0.38 -0.17 -0.44 -7.23 0.69 -3.87 120.40 107.18 2jnb s VAL 83 Ca 0.33 -1.98 0.14 0.00 -1.81 0.00 0.00 61.98 58.66 2jnb s VAL 83 Cb 0.02 -2.37 0.36 0.00 0.56 0.00 0.00 36.38 34.95 2jnb s VAL 83 CO 0.17 -0.20 1.19 -1.14 -0.31 0.00 0.00 175.10 174.81 2jnb n ARG 84 N -0.30 1.41 -3.77 4.82 0.63 -1.26 -0.95 116.66 117.24 2jnb n ARG 84 Ca -0.02 -2.97 -0.13 0.00 -0.92 0.00 0.00 57.85 53.81 2jnb n ARG 84 Cb 0.65 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 31.95 2jnb n ARG 84 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jnb s SER 85 N -3.04 -0.16 -0.02 6.15 0.15 -1.26 -5.03 113.70 110.49 2jnb s SER 85 Ca 0.35 0.00 0.04 0.00 0.70 0.00 0.00 55.95 57.04 2jnb s SER 85 Cb 0.33 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.90 2jnb s SER 85 CO -0.03 -0.47 0.04 2.29 1.20 0.00 0.00 173.24 176.27 2jnb n LYS 86 N 1.16 2.08 0.24 5.44 -0.00 -1.26 -4.51 118.16 121.30 2jnb n LYS 86 Ca -0.21 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.31 57.93 2jnb n LYS 86 Cb 0.57 -1.10 -0.08 0.00 -0.00 0.00 0.00 35.03 34.42 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 -0.59 -0.52 -1.58 -0.00 -1.97 0.21 115.11 110.66 2jnb h GLN 87 Ca -0.06 0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.70 2jnb h GLN 87 Cb 0.82 0.13 -0.06 0.00 0.00 0.00 0.00 27.48 28.37 2jnb h GLN 87 CO 0.00 -0.31 0.21 0.00 0.00 0.00 0.00 178.83 178.73 2jnb h ALA 88 N -0.35 0.65 0.00 3.38 0.00 -1.97 0.15 119.26 121.12 2jnb h ALA 88 Ca -0.06 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2jnb h ALA 88 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jnb h ALA 88 CO 0.10 -0.18 -0.35 1.25 0.00 0.00 0.00 179.25 180.08 2jnb h LEU 89 N 0.40 0.00 -0.10 0.00 6.46 -1.78 0.19 115.31 120.48 2jnb h LEU 89 Ca 0.25 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.87 2jnb h LEU 89 Cb 0.25 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 2jnb h LEU 89 CO -0.23 0.35 -0.65 1.23 -0.62 0.00 0.00 178.44 178.51 2jnb h GLY 90 N 1.36 0.00 0.49 3.75 0.00 0.90 -3.27 103.07 106.30 2jnb h GLY 90 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2jnb h GLY 90 CO 0.04 0.00 -1.98 -2.13 0.00 0.00 0.00 176.54 172.47 2jnb n ARG 91 N -3.31 0.73 -0.05 4.80 0.63 0.38 -3.84 116.66 116.01 2jnb n ARG 91 Ca 0.01 0.28 0.23 0.00 -0.92 0.00 0.00 57.85 57.45 2jnb n ARG 91 Cb 0.78 -1.69 0.71 0.00 0.45 0.00 0.00 32.46 32.71 2jnb n ARG 91 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jnb h ALA 92 N -0.00 2.57 0.04 5.13 0.00 -0.75 0.19 119.26 126.43 2jnb h ALA 92 Ca -0.44 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 2jnb h ALA 92 Cb 1.95 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2jnb h ALA 92 CO 0.04 -0.80 -1.04 0.00 0.00 0.00 0.00 179.25 177.44 2jnb n GLY 94 N 1.27 0.91 3.31 0.00 0.00 0.65 -4.99 105.19 106.33 2jnb n GLY 94 Ca -0.04 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 2jnb n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jnb s VAL 95 N -2.90 0.55 -0.01 1.61 -7.23 -1.25 -5.07 120.40 106.10 2jnb s VAL 95 Ca 0.00 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 2jnb s VAL 95 Cb 0.00 -2.59 -0.25 0.00 0.56 0.00 0.00 36.38 34.10 2jnb s VAL 95 CO 0.00 -0.04 1.06 0.28 -0.31 0.00 0.00 175.10 176.08 2jnb h SER 96 N 2.42 0.50 -2.83 4.85 0.02 -1.99 -3.46 113.55 113.05 2jnb h SER 96 Ca -0.38 -0.80 -0.47 0.00 -0.84 0.00 0.00 61.79 59.30 2jnb h SER 96 Cb 1.24 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.64 2jnb h SER 96 CO 0.61 1.24 -0.16 -0.13 -1.14 0.00 0.00 176.83 177.25 2jnb s ARG 97 N -3.05 3.43 0.77 3.45 0.52 -1.26 -5.09 118.95 117.72 2jnb s ARG 97 Ca -0.13 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 2jnb s ARG 97 Cb 0.03 -2.63 0.05 0.00 0.52 0.00 0.00 34.95 32.92 2jnb s ARG 97 CO 0.82 0.07 1.09 -1.25 0.02 0.00 0.00 175.30 176.05 2jnb s PRO 98 N -4.38 2.29 -0.03 3.54 0.04 -1.26 -4.92 135.00 130.28 2jnb s PRO 98 Ca 0.42 1.19 0.06 0.00 0.04 0.00 0.00 61.00 62.70 2jnb s PRO 98 Cb -0.10 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2jnb s PRO 98 CO 0.37 -1.62 -0.20 0.08 0.04 0.00 0.00 177.00 175.67 2jnb s VAL 99 N -2.86 1.58 -0.16 -0.36 1.01 -1.26 -4.97 120.40 113.37 2jnb s VAL 99 Ca 0.62 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2jnb s VAL 99 Cb -0.17 -1.33 -0.16 0.00 0.00 0.00 0.00 36.38 34.72 2jnb s VAL 99 CO 0.55 0.45 -0.05 -0.38 0.00 0.00 0.00 175.10 175.67 2jnb n ILE 100 N 2.79 1.04 -4.14 2.22 2.08 -1.26 -4.29 119.36 117.80 2jnb n ILE 100 Ca -0.16 -0.53 -0.16 0.00 0.56 0.00 0.00 62.75 62.45 2jnb n ILE 100 Cb 0.53 -0.86 -0.12 0.00 -0.75 0.00 0.00 39.64 38.44 2jnb n ILE 100 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jnb s ALA 101 N -2.37 0.90 0.01 -1.39 0.00 -1.26 -3.18 121.76 114.49 2jnb s ALA 101 Ca -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2jnb s ALA 101 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2jnb s ALA 101 CO 0.53 0.09 -0.02 0.00 0.00 0.00 0.00 175.76 176.36 2jnb s SER 103 N -1.00 3.92 -0.47 0.00 0.01 -0.83 -2.67 113.70 112.66 2jnb s SER 103 Ca -0.11 -1.38 -0.23 0.00 1.31 0.00 0.00 55.95 55.53 2jnb s SER 103 Cb -0.07 -1.11 0.03 0.00 0.21 0.00 0.00 66.02 65.08 2jnb s SER 103 CO -0.01 -0.30 0.81 -0.69 0.41 0.00 0.00 173.24 173.46 2jnb s VAL 104 N 1.42 4.61 0.13 3.43 1.01 0.51 -3.84 120.40 127.68 2jnb s VAL 104 Ca 0.01 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 2jnb s VAL 104 Cb -0.18 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.77 2jnb s VAL 104 CO -0.11 -0.79 0.60 0.42 0.00 0.00 0.00 175.10 175.22 2jnb s THR 105 N 3.39 4.74 0.21 3.92 -4.23 -1.26 -2.94 115.64 119.46 2jnb s THR 105 Ca 0.30 1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 61.79 2jnb s THR 105 Cb -0.12 -3.84 -0.07 0.00 1.34 0.00 0.00 72.50 69.81 2jnb s THR 105 CO 0.22 0.37 0.55 -0.51 -0.54 0.00 0.00 174.62 174.71 2jnb s ILE 106 N -1.33 4.91 -0.11 2.99 2.07 -1.26 -5.00 121.20 123.48 2jnb s ILE 106 Ca 0.35 0.58 -0.00 0.00 -1.41 0.00 0.00 60.65 60.17 2jnb s ILE 106 Cb -0.17 -3.65 0.02 0.00 0.13 0.00 0.00 42.46 38.79 2jnb s ILE 106 CO 0.20 0.02 -0.07 -1.59 -1.91 0.00 0.00 174.94 171.58 2jnb s LYS 107 N -2.58 1.45 0.16 3.50 -2.85 -1.26 -5.09 119.74 113.06 2jnb s LYS 107 Ca 0.45 -0.23 -0.31 0.00 -1.00 0.00 0.00 55.97 54.88 2jnb s LYS 107 Cb -0.12 -1.51 -0.08 0.00 -2.06 0.00 0.00 37.83 34.05 2jnb s LYS 107 CO 0.20 -0.25 1.35 -1.83 0.10 0.00 0.00 175.35 174.92 2jnb s GLU 108 N 1.67 4.35 0.00 1.78 -1.05 -1.26 -2.95 118.70 121.24 2jnb s GLU 108 Ca 0.04 2.07 0.00 0.00 -0.15 0.00 0.00 54.97 56.93 2jnb s GLU 108 Cb -0.13 -3.22 0.00 0.00 -0.44 0.00 0.00 34.13 30.35 2jnb s GLU 108 CO -0.07 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.20 2jnb n GLY 109 N 2.90 2.81 3.89 -3.83 0.00 -1.26 -5.08 105.19 104.61 2jnb n GLY 109 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.48 6.55 0.43 1.61 0.01 -1.15 -4.99 113.70 114.67 2jnb s SER 110 Ca 0.00 0.69 0.21 0.00 1.31 0.00 0.00 55.95 58.16 2jnb s SER 110 Cb 0.00 -2.13 0.94 0.00 0.21 0.00 0.00 66.02 65.04 2jnb s SER 110 CO 0.00 0.07 1.86 0.06 0.41 0.00 0.00 173.24 175.64 2jnb h GLN 111 N 3.07 0.00 -0.91 12.44 3.07 -1.98 -2.96 115.11 127.83 2jnb h GLN 111 Ca -0.47 0.00 0.19 0.00 0.09 0.00 0.00 58.65 58.46 2jnb h GLN 111 Cb 1.17 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.66 2jnb h GLN 111 CO 0.70 0.28 0.59 1.25 0.09 0.00 0.00 178.83 181.74 2jnb h LEU 112 N 0.00 0.50 -1.89 0.06 5.85 -1.94 0.23 115.31 118.12 2jnb h LEU 112 Ca -0.00 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.89 2jnb h LEU 112 Cb 0.67 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2jnb h LEU 112 CO 0.04 0.21 0.34 0.50 -0.34 0.00 0.00 178.44 179.18 2jnb h LYS 113 N 0.50 0.12 0.00 1.25 3.11 -1.79 0.27 116.57 120.03 2jnb h LYS 113 Ca 0.48 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 58.25 2jnb h LYS 113 Cb 1.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2jnb h LYS 113 CO -0.21 0.08 -0.29 1.96 -2.81 0.00 0.00 179.45 178.17 2jnb h GLN 114 N 0.12 0.00 0.02 1.90 4.20 -0.73 -2.68 115.11 117.93 2jnb h GLN 114 Ca 0.23 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.68 2jnb h GLN 114 Cb 0.76 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 2jnb h GLN 114 CO -0.03 0.29 -1.40 0.94 -0.67 0.00 0.00 178.83 177.97 2jnb n GLN 115 N -3.57 0.59 -0.24 1.46 7.27 0.69 -3.38 117.38 120.20 2jnb n GLN 115 Ca -0.01 0.53 0.16 0.00 0.07 0.00 0.00 57.00 57.75 2jnb n GLN 115 Cb 0.43 -1.74 0.47 0.00 2.41 0.00 0.00 30.24 31.81 2jnb n GLN 115 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2jnb h ILE 116 N -0.84 0.74 -0.04 1.69 2.04 -0.91 0.41 117.51 120.60 2jnb h ILE 116 Ca -0.37 -0.17 -0.22 0.00 1.00 0.00 0.00 64.86 65.10 2jnb h ILE 116 Cb 1.42 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2jnb h ILE 116 CO -0.17 0.09 -0.88 0.06 0.00 0.00 0.00 178.15 177.25 2jnb h GLN 117 N 0.50 0.49 0.15 2.37 -0.00 -1.64 -2.34 115.11 114.64 2jnb h GLN 117 Ca 0.45 -0.48 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 2jnb h GLN 117 Cb 0.99 0.12 0.00 0.00 -0.00 0.00 0.00 27.48 28.59 2jnb h GLN 117 CO -0.19 1.12 -0.07 0.77 -0.00 0.00 0.00 178.83 180.46 2jnb h SER 118 N 0.30 -0.17 0.40 0.06 0.02 -0.97 -2.73 113.55 110.46 2jnb h SER 118 Ca -0.07 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 2jnb h SER 118 Cb 1.50 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 2jnb h SER 118 CO 0.16 -0.02 -0.30 -0.29 -1.14 0.00 0.00 176.83 175.23 2jnb h ILE 119 N -0.30 1.08 -0.72 3.27 2.10 -1.35 -2.99 117.51 118.59 2jnb h ILE 119 Ca -0.02 -1.08 0.13 0.00 1.08 0.00 0.00 64.86 64.97 2jnb h ILE 119 Cb 0.24 1.61 -0.09 0.00 -1.09 0.00 0.00 36.82 37.49 2jnb h ILE 119 CO 0.03 0.30 0.27 -0.61 -1.08 0.00 0.00 178.15 177.06 2jnb h GLN 120 N 0.00 0.41 -0.22 2.19 4.15 -1.10 0.24 115.11 120.79 2jnb h GLN 120 Ca -0.00 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.46 2jnb h GLN 120 Cb 0.58 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2jnb h GLN 120 CO 0.04 0.27 0.18 0.37 -1.93 0.00 0.00 178.83 177.76 2jnb h GLN 121 N 0.42 0.00 -0.04 1.69 4.15 -1.49 0.02 115.11 119.87 2jnb h GLN 121 Ca 0.39 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.77 2jnb h GLN 121 Cb 0.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2jnb h GLN 121 CO -0.39 0.00 -0.17 0.77 -1.93 0.00 0.00 178.83 177.11 2jnb h SER 122 N 0.00 0.06 -0.78 -0.69 0.02 -0.65 -2.69 113.55 108.82 2jnb h SER 122 Ca 0.10 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.15 2jnb h SER 122 Cb 0.46 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 2jnb h SER 122 CO -0.00 0.24 0.40 0.40 -1.14 0.00 0.00 176.83 176.73 2jnb h ILE 123 N 0.06 0.83 -0.20 3.27 2.04 -0.98 0.38 117.51 122.92 2jnb h ILE 123 Ca 0.01 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2jnb h ILE 123 Cb 0.34 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2jnb h ILE 123 CO 0.02 0.12 0.05 -0.33 0.00 0.00 0.00 178.15 178.01 2jnb h GLU 124 N 0.66 0.31 -0.29 2.37 5.08 -1.61 -0.70 114.58 120.40 2jnb h GLU 124 Ca 0.39 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 2jnb h GLU 124 Cb 0.44 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2jnb h GLU 124 CO -0.29 0.44 0.14 0.00 -1.00 0.00 0.00 179.01 178.30 2jnb h ARG 125 N 0.13 0.29 -0.49 2.33 3.08 -1.38 -2.10 114.38 116.26 2jnb h ARG 125 Ca 0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2jnb h ARG 125 Cb 0.26 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2jnb h ARG 125 CO 0.00 0.19 0.25 -0.07 -1.07 0.00 0.00 179.97 179.27 2jnb h LEU 126 N 0.30 0.63 -0.18 3.04 -0.00 -0.88 -3.00 115.31 115.21 2jnb h LEU 126 Ca 0.12 -0.11 0.05 0.00 -0.00 0.00 0.00 57.88 57.94 2jnb h LEU 126 Cb 0.04 -0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 40.48 2jnb h LEU 126 CO -0.08 0.56 -0.20 -0.07 -0.00 0.00 0.00 178.44 178.66 2jnb h LEU 127 N 0.64 -0.62 -0.77 1.67 3.38 -0.79 -3.45 115.31 115.37 2jnb h LEU 127 Ca 0.17 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2jnb h LEU 127 Cb 0.09 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2jnb h LEU 127 CO -0.02 -0.24 0.00 1.33 0.09 0.00 0.00 178.44 179.59