#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnb n THR 2 N 0.00 2.13 -2.69 1.12 -1.04 -1.26 -4.73 114.28 107.81 2jnb n THR 2 Ca 0.00 -3.42 -0.07 0.00 -2.04 0.00 0.00 64.05 58.52 2jnb n THR 2 Cb 0.00 -0.40 0.08 0.00 -1.82 0.00 0.00 70.33 68.19 2jnb n THR 2 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jnb n GLU 3 N -0.85 1.22 -1.34 -2.82 1.02 -1.26 -5.14 120.64 111.47 2jnb n GLU 3 Ca 0.26 -2.40 0.18 0.00 -0.02 0.00 0.00 57.16 55.18 2jnb n GLU 3 Cb 0.82 -0.54 -0.05 0.00 -0.02 0.00 0.00 31.44 31.65 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jnb n ALA 4 N -0.47 -3.63 -2.68 0.62 0.00 -1.26 -4.77 120.51 108.31 2jnb n ALA 4 Ca 0.01 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 2jnb n ALA 4 Cb 0.84 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 19.06 2jnb n ALA 4 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jnb n ASP 5 N -4.32 1.12 -3.31 0.00 5.68 -1.26 -4.96 116.55 109.50 2jnb n ASP 5 Ca -0.00 -2.61 -0.23 0.00 -0.50 0.00 0.00 54.79 51.45 2jnb n ASP 5 Cb 0.66 -0.37 0.01 0.00 -1.14 0.00 0.00 41.12 40.28 2jnb n ASP 5 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2jnb n VAL 6 N -0.18 -2.65 -4.26 2.12 0.24 -1.26 -4.95 118.33 107.39 2jnb n VAL 6 Ca 0.07 0.01 -0.23 0.00 -2.04 0.00 0.00 64.34 62.16 2jnb n VAL 6 Cb 0.82 -2.39 -0.07 0.00 -1.47 0.00 0.00 33.84 30.74 2jnb n VAL 6 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jnb s ASN 7 N -2.18 4.74 1.09 -1.34 2.20 -1.26 -5.14 114.94 113.05 2jnb s ASN 7 Ca 0.11 -0.57 -0.07 0.00 -0.94 0.00 0.00 52.86 51.39 2jnb s ASN 7 Cb -0.01 -0.96 0.11 0.00 -2.00 0.00 0.00 41.25 38.39 2jnb s ASN 7 CO 0.69 -0.01 0.38 -0.81 -2.94 0.00 0.00 177.10 174.41 2jnb n PRO 8 N -0.96 -1.77 -0.84 3.55 -0.04 -1.26 -4.93 135.00 128.75 2jnb n PRO 8 Ca -0.07 -0.61 -0.07 0.00 -0.04 0.00 0.00 63.50 62.71 2jnb n PRO 8 Cb 0.59 -0.57 0.22 0.00 -0.04 0.00 0.00 33.50 33.70 2jnb n PRO 8 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2jnb n LYS 9 N -2.67 2.96 -0.40 0.54 4.81 -1.26 -4.03 118.16 118.11 2jnb n LYS 9 Ca 0.05 -2.41 0.07 0.00 -0.87 0.00 0.00 58.31 55.16 2jnb n LYS 9 Cb 0.21 -2.01 0.14 0.00 0.02 0.00 0.00 35.03 33.38 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 -0.18 2.69 -2.66 3.14 0.00 -1.26 -5.05 120.51 117.18 2jnb n ALA 10 Ca 0.35 -2.64 -0.23 0.00 0.00 0.00 0.00 53.44 50.92 2jnb n ALA 10 Cb 1.22 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.45 2.74 0.43 0.00 1.51 -1.26 -3.92 117.35 114.40 2jnb s TYR 11 Ca 0.30 -0.21 -0.24 0.00 -1.01 0.00 0.00 57.07 55.91 2jnb s TYR 11 Cb 0.29 -1.22 -0.08 0.00 -0.11 0.00 0.00 41.96 40.84 2jnb s TYR 11 CO -0.02 0.61 1.17 -1.25 -1.11 0.00 0.00 175.55 174.95 2jnb s PRO 12 N -3.69 3.90 -0.01 -1.71 0.04 -1.26 -4.86 135.00 127.41 2jnb s PRO 12 Ca 0.32 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2jnb s PRO 12 Cb -0.07 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2jnb s PRO 12 CO 0.20 -0.44 -0.00 -1.17 0.04 0.00 0.00 177.00 175.63 2jnb s LEU 13 N -2.75 3.50 -0.07 -3.56 2.96 -1.25 -3.50 118.68 114.01 2jnb s LEU 13 Ca 0.60 0.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 2jnb s LEU 13 Cb -0.30 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 2jnb s LEU 13 CO 0.37 0.29 -0.20 0.00 -1.32 0.00 0.00 176.35 175.49 2jnb s ALA 14 N -1.06 2.40 1.00 5.97 0.00 -1.24 -5.07 121.76 123.75 2jnb s ALA 14 Ca 0.19 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 2jnb s ALA 14 Cb -0.11 -0.85 0.13 0.00 0.00 0.00 0.00 23.12 22.28 2jnb s ALA 14 CO 0.09 0.43 0.74 -0.40 0.00 0.00 0.00 175.76 176.63 2jnb n ASP 15 N 2.83 -1.15 0.02 0.00 5.75 -1.26 -4.51 116.55 118.22 2jnb n ASP 15 Ca -0.17 0.23 0.19 0.00 -0.01 0.00 0.00 54.79 55.02 2jnb n ASP 15 Cb 0.52 -1.29 0.68 0.00 -1.03 0.00 0.00 41.12 40.00 2jnb n ASP 15 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jnb h ALA 16 N -1.95 2.44 0.30 2.12 0.00 -1.98 -0.13 119.26 120.07 2jnb h ALA 16 Ca -0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2jnb h ALA 16 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jnb h ALA 16 CO 0.40 -0.58 -0.15 1.25 0.00 0.00 0.00 179.25 180.17 2jnb h HIS 17 N 0.01 -0.38 -0.44 0.00 6.17 -2.00 -2.78 115.15 115.73 2jnb h HIS 17 Ca 0.23 -0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.37 2jnb h HIS 17 Cb 0.91 0.13 -0.06 0.00 2.52 0.00 0.00 27.41 30.91 2jnb h HIS 17 CO -0.00 -0.10 0.11 1.25 0.71 0.00 0.00 177.93 179.90 2jnb h LEU 18 N -1.03 0.07 -1.82 0.26 6.46 -1.79 -0.68 115.31 116.79 2jnb h LEU 18 Ca -0.04 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 2jnb h LEU 18 Cb 0.45 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 2jnb h LEU 18 CO 0.07 0.07 0.30 0.71 -0.62 0.00 0.00 178.44 178.97 2jnb h THR 19 N 0.26 0.89 -0.11 1.05 1.35 -1.14 -2.26 112.91 112.95 2jnb h THR 19 Ca 0.21 -0.07 0.04 0.00 -0.55 0.00 0.00 66.41 66.04 2jnb h THR 19 Cb 0.24 0.65 -0.05 0.00 -1.73 0.00 0.00 68.15 67.27 2jnb h THR 19 CO -0.25 0.04 -0.19 0.50 -0.25 0.00 0.00 175.52 175.37 2jnb h LYS 20 N 0.21 -0.24 -0.70 4.72 3.64 -0.82 0.17 116.57 123.56 2jnb h LYS 20 Ca 0.20 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2jnb h LYS 20 Cb 0.52 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2jnb h LYS 20 CO -0.04 -0.16 0.19 0.87 -2.27 0.00 0.00 179.45 178.04 2jnb h LYS 21 N -0.25 1.10 -0.13 1.90 1.57 -1.42 -1.00 116.57 118.33 2jnb h LYS 21 Ca 0.09 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2jnb h LYS 21 Cb 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2jnb h LYS 21 CO -0.25 0.96 0.08 1.25 -0.57 0.00 0.00 179.45 180.92 2jnb h LEU 22 N 1.05 0.16 -0.03 2.94 6.46 -1.06 -1.02 115.31 123.80 2jnb h LEU 22 Ca 0.22 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2jnb h LEU 22 Cb 0.34 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2jnb h LEU 22 CO -0.00 0.15 0.01 -0.07 -0.62 0.00 0.00 178.44 177.90 2jnb h LEU 23 N 0.16 0.04 -1.60 2.25 4.07 -0.55 -2.62 115.31 117.07 2jnb h LEU 23 Ca 0.05 -0.21 0.14 0.00 0.08 0.00 0.00 57.88 57.93 2jnb h LEU 23 Cb 0.01 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.70 2jnb h LEU 23 CO -0.01 0.25 0.48 -0.78 -1.08 0.00 0.00 178.44 177.30 2jnb h ASP 24 N -0.16 0.38 0.80 -0.43 1.82 -1.09 0.22 116.42 117.96 2jnb h ASP 24 Ca 0.01 0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.59 2jnb h ASP 24 Cb 0.22 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 2jnb h ASP 24 CO -0.00 0.20 -0.35 0.25 -1.61 0.00 0.00 179.24 177.74 2jnb h LEU 25 N 0.41 0.00 -0.04 2.28 5.85 -0.88 -3.17 115.31 119.76 2jnb h LEU 25 Ca 0.35 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 2jnb h LEU 25 Cb 0.78 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.82 2jnb h LEU 25 CO -0.11 0.35 -0.37 0.58 -0.34 0.00 0.00 178.44 178.55 2jnb h VAL 26 N 0.00 1.45 -0.82 1.05 2.07 -0.22 -3.21 116.25 116.56 2jnb h VAL 26 Ca -0.00 -1.87 0.20 0.00 0.82 0.00 0.00 66.70 65.85 2jnb h VAL 26 Cb 0.84 2.50 -0.05 0.00 -1.52 0.00 0.00 31.29 33.07 2jnb h VAL 26 CO 0.05 0.53 0.56 -0.61 0.02 0.00 0.00 177.57 178.12 2jnb h GLN 27 N -0.23 0.25 -0.21 1.57 4.15 -1.39 0.23 115.11 119.49 2jnb h GLN 27 Ca -0.04 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.39 2jnb h GLN 27 Cb 1.07 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 2jnb h GLN 27 CO 0.08 0.16 0.14 1.96 -1.93 0.00 0.00 178.83 179.24 2jnb h GLN 28 N 0.25 0.20 -0.31 1.69 4.20 -1.56 -2.61 115.11 116.97 2jnb h GLN 28 Ca 0.41 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.18 2jnb h GLN 28 Cb 1.22 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.89 2jnb h GLN 28 CO -0.10 0.13 -0.15 1.03 -0.67 0.00 0.00 178.83 179.07 2jnb h SER 29 N 0.21 -0.52 -0.02 1.46 0.87 -0.65 0.12 113.55 115.02 2jnb h SER 29 Ca 0.08 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2jnb h SER 29 Cb 0.08 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2jnb h SER 29 CO -0.02 -0.19 0.02 0.00 -0.53 0.00 0.00 176.83 176.11 2jnb h ASN 31 N 0.00 0.00 -0.65 0.00 -0.73 -0.77 -2.14 115.58 111.29 2jnb h ASN 31 Ca 0.01 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 57.95 2jnb h ASN 31 Cb 0.04 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.49 2jnb h ASN 31 CO -0.00 0.19 0.30 -1.22 -0.37 0.00 0.00 177.43 176.32 2jnb n TYR 32 N -3.72 2.11 -2.08 0.67 4.02 -0.14 -4.86 117.16 113.17 2jnb n TYR 32 Ca -0.02 -1.14 -0.20 0.00 -0.01 0.00 0.00 57.90 56.54 2jnb n TYR 32 Cb 0.30 -0.64 -0.04 0.00 -0.02 0.00 0.00 39.34 38.94 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 -0.24 -1.63 -4.45 -0.72 5.02 -0.80 -4.96 118.16 110.37 2jnb n LYS 33 Ca 0.37 1.04 -0.22 0.00 -2.02 0.00 0.00 58.31 57.48 2jnb n LYS 33 Cb 1.25 -5.59 -0.16 0.00 -0.02 0.00 0.00 35.03 30.52 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 -4.51 1.15 0.03 1.97 0.74 -1.06 -5.03 119.66 112.95 2jnb s GLN 34 Ca 0.00 -0.34 -0.28 0.00 0.05 0.00 0.00 55.36 54.79 2jnb s GLN 34 Cb 0.00 -1.04 0.09 0.00 1.10 0.00 0.00 33.01 33.16 2jnb s GLN 34 CO 0.00 0.10 1.01 -0.48 -0.55 0.00 0.00 175.29 175.37 2jnb s LEU 35 N 0.30 -0.23 -0.15 3.68 0.05 -1.26 -1.69 118.68 119.38 2jnb s LEU 35 Ca -0.05 -0.17 -0.18 0.00 0.05 0.00 0.00 54.13 53.77 2jnb s LEU 35 Cb -0.10 1.91 0.05 0.00 -2.05 0.00 0.00 46.19 45.99 2jnb s LEU 35 CO 0.01 -0.64 0.49 -0.60 -0.55 0.00 0.00 176.35 175.06 2jnb s ARG 36 N -3.00 0.63 -0.48 1.48 6.06 -1.17 -5.00 118.95 117.46 2jnb s ARG 36 Ca 0.09 0.53 0.06 0.00 -2.50 0.00 0.00 55.73 53.92 2jnb s ARG 36 Cb -0.00 0.30 0.18 0.00 0.06 0.00 0.00 34.95 35.49 2jnb s ARG 36 CO -0.04 -0.11 0.61 -1.59 -2.50 0.00 0.00 175.30 171.68 2jnb s LYS 37 N -0.08 0.99 -0.30 5.12 0.00 -1.26 -3.18 119.74 121.04 2jnb s LYS 37 Ca -0.03 -1.19 -0.16 0.00 0.00 0.00 0.00 55.97 54.59 2jnb s LYS 37 Cb -0.03 -0.37 0.17 0.00 0.00 0.00 0.00 37.83 37.60 2jnb s LYS 37 CO 0.02 -1.32 1.08 0.20 0.00 0.00 0.00 175.35 175.33 2jnb s GLY 38 N 0.83 0.10 0.10 0.59 0.00 -1.07 -4.99 107.32 102.88 2jnb s GLY 38 Ca 0.28 3.32 -0.28 0.00 0.00 0.00 0.00 44.72 48.04 2jnb s GLY 38 CO -0.08 2.94 1.65 0.00 0.00 0.00 0.00 173.10 177.61 2jnb h ALA 39 N 6.47 -0.49 -0.02 3.20 0.00 -1.97 0.17 119.26 126.62 2jnb h ALA 39 Ca -0.22 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2jnb h ALA 39 Cb 1.15 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2jnb h ALA 39 CO 0.15 -0.80 -0.67 -0.97 0.00 0.00 0.00 179.25 176.96 2jnb h ASN 40 N -0.51 0.12 0.49 0.00 -1.24 -1.95 -3.03 115.58 109.47 2jnb h ASN 40 Ca -0.01 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 56.86 2jnb h ASN 40 Cb 0.46 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 2jnb h ASN 40 CO -0.04 0.75 -0.33 -0.33 -1.29 0.00 0.00 177.43 176.19 2jnb h GLU 41 N 0.07 0.00 -0.76 6.67 4.39 -1.88 -2.83 114.58 120.24 2jnb h GLU 41 Ca -0.01 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.88 2jnb h GLU 41 Cb 1.20 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.81 2jnb h GLU 41 CO 0.09 0.33 0.53 0.00 -1.16 0.00 0.00 179.01 178.81 2jnb h ALA 42 N 1.67 2.47 0.00 3.43 0.00 -0.53 0.23 119.26 126.52 2jnb h ALA 42 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jnb h ALA 42 Cb 0.67 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jnb h ALA 42 CO 0.04 -0.69 -0.02 1.79 0.00 0.00 0.00 179.25 180.37 2jnb h THR 43 N 0.16 0.84 -0.06 0.00 1.35 -1.67 -2.53 112.91 111.00 2jnb h THR 43 Ca 0.37 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.14 2jnb h THR 43 Cb 1.22 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2jnb h THR 43 CO -0.06 0.02 0.04 0.11 -0.25 0.00 0.00 175.52 175.38 2jnb h LYS 44 N 0.00 0.08 -0.48 4.72 1.79 -0.73 0.22 116.57 122.18 2jnb h LYS 44 Ca -0.00 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2jnb h LYS 44 Cb 0.05 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.63 2jnb h LYS 44 CO 0.00 0.06 0.18 1.79 -1.08 0.00 0.00 179.45 180.40 2jnb h THR 45 N 0.07 0.85 -0.36 -0.16 1.35 -1.56 -1.63 112.91 111.47 2jnb h THR 45 Ca 0.02 -0.12 -0.08 0.00 -0.55 0.00 0.00 66.41 65.68 2jnb h THR 45 Cb 0.00 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 66.87 2jnb h THR 45 CO -0.00 0.06 -0.10 0.25 -0.25 0.00 0.00 175.52 175.48 2jnb h LEU 46 N 0.35 0.61 -0.18 3.87 6.46 -1.47 -1.61 115.31 123.33 2jnb h LEU 46 Ca 0.23 -0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 2jnb h LEU 46 Cb 0.22 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 2jnb h LEU 46 CO -0.22 0.74 -0.20 -1.13 -0.62 0.00 0.00 178.44 177.01 2jnb h ASN 47 N 0.58 -0.62 1.10 1.25 -1.24 0.03 -1.22 115.58 115.46 2jnb h ASN 47 Ca 0.11 0.11 -0.07 0.00 0.71 0.00 0.00 56.30 57.16 2jnb h ASN 47 Cb 0.51 0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 2jnb h ASN 47 CO 0.03 -0.24 -0.32 0.03 -1.29 0.00 0.00 177.43 175.64 2jnb h ARG 48 N -0.22 0.00 -3.77 6.67 -0.00 -1.39 -3.48 114.38 112.19 2jnb h ARG 48 Ca 0.12 0.00 -0.20 0.00 -0.50 0.00 0.00 59.98 59.39 2jnb h ARG 48 Cb 0.40 0.00 0.08 0.00 0.00 0.00 0.00 29.97 30.45 2jnb h ARG 48 CO -0.31 0.32 -0.39 0.41 0.00 0.00 0.00 179.97 180.00 2jnb n GLY 49 N 0.49 0.09 0.24 0.04 0.00 -0.46 -4.95 105.19 100.64 2jnb n GLY 49 Ca 0.01 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2jnb n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jnb n ILE 50 N -3.41 1.41 -3.23 -0.61 -6.64 -1.21 -5.06 119.36 100.62 2jnb n ILE 50 Ca -0.06 -1.76 -0.30 0.00 -1.77 0.00 0.00 62.75 58.87 2jnb n ILE 50 Cb 0.56 -0.03 -0.04 0.00 -1.44 0.00 0.00 39.64 38.69 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 -2.43 6.50 -0.22 7.28 0.15 -1.26 -3.68 113.70 120.04 2jnb s SER 51 Ca 0.25 0.87 -0.07 0.00 0.70 0.00 0.00 55.95 57.69 2jnb s SER 51 Cb 0.22 -2.21 -0.11 0.00 -1.71 0.00 0.00 66.02 62.22 2jnb s SER 51 CO 0.01 -0.23 -0.26 -0.62 1.20 0.00 0.00 173.24 173.35 2jnb n GLU 52 N -0.88 0.49 -3.83 5.44 4.71 -1.15 -4.93 120.64 120.49 2jnb n GLU 52 Ca -0.00 0.18 -0.06 0.00 -0.01 0.00 0.00 57.16 57.27 2jnb n GLU 52 Cb 0.54 -1.33 -0.02 0.00 -1.01 0.00 0.00 31.44 29.62 2jnb n GLU 52 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2jnb s PHE 53 N -2.41 -0.17 0.03 -0.32 -0.71 -1.24 -4.83 117.98 108.33 2jnb s PHE 53 Ca -0.30 -0.24 0.04 0.00 -1.04 0.00 0.00 56.93 55.39 2jnb s PHE 53 Cb 0.11 0.69 -0.02 0.00 -1.21 0.00 0.00 43.02 42.59 2jnb s PHE 53 CO 0.42 -1.12 -0.12 0.42 -1.34 0.00 0.00 175.22 173.48 2jnb s ILE 54 N -3.73 0.94 -0.01 -4.49 -1.09 -1.26 -3.31 121.20 108.25 2jnb s ILE 54 Ca 0.11 -0.89 0.04 0.00 -2.23 0.00 0.00 60.65 57.68 2jnb s ILE 54 Cb -0.05 -0.86 -0.01 0.00 -1.58 0.00 0.00 42.46 39.96 2jnb s ILE 54 CO 0.05 -0.02 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.91 2jnb s VAL 55 N -0.81 1.08 0.35 2.92 1.01 -1.26 -3.01 120.40 120.68 2jnb s VAL 55 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2jnb s VAL 55 Cb -0.07 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2jnb s VAL 55 CO 0.01 0.29 0.46 -0.04 0.00 0.00 0.00 175.10 175.81 2jnb s MET 56 N -0.37 1.93 -0.16 2.72 -1.94 -1.19 -3.13 119.30 117.15 2jnb s MET 56 Ca 0.05 -1.82 -0.12 0.00 -1.71 0.00 0.00 55.69 52.09 2jnb s MET 56 Cb -0.05 0.43 -0.05 0.00 2.01 0.00 0.00 34.83 37.17 2jnb s MET 56 CO -0.00 -0.79 0.24 0.00 -0.01 0.00 0.00 175.02 174.45 2jnb s ALA 57 N -3.03 3.64 0.61 3.03 0.00 -1.24 -3.86 121.76 120.91 2jnb s ALA 57 Ca 0.32 -0.53 0.32 0.00 0.00 0.00 0.00 51.96 52.07 2jnb s ALA 57 Cb -0.00 -2.30 1.83 0.00 0.00 0.00 0.00 23.12 22.65 2jnb s ALA 57 CO 0.22 0.15 2.16 0.00 0.00 0.00 0.00 175.76 178.29 2jnb h ALA 58 N 6.51 1.55 -0.37 0.00 0.00 -1.83 -1.00 119.26 124.13 2jnb h ALA 58 Ca -0.42 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.21 2jnb h ALA 58 Cb 1.17 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 2jnb h ALA 58 CO 0.74 -0.19 -0.67 -0.25 0.00 0.00 0.00 179.25 178.88 2jnb n ASP 59 N -3.57 3.25 -4.75 0.00 8.00 -1.26 -4.94 116.55 113.28 2jnb n ASP 59 Ca -0.00 -3.78 -0.36 0.00 0.71 0.00 0.00 54.79 51.36 2jnb n ASP 59 Cb 0.24 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 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 -3.37 3.67 0.18 2.24 0.00 -0.38 -5.09 121.76 119.01 2jnb s ALA 60 Ca 0.44 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.88 2jnb s ALA 60 Cb 0.39 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 2jnb s ALA 60 CO -0.02 0.19 -0.09 -1.21 0.00 0.00 0.00 175.76 174.63 2jnb s GLU 61 N 0.21 1.19 0.46 0.00 2.02 -1.26 -3.98 118.70 117.33 2jnb s GLU 61 Ca 0.13 -1.53 -0.23 0.00 0.02 0.00 0.00 54.97 53.35 2jnb s GLU 61 Cb -0.12 -0.75 -0.07 0.00 0.10 0.00 0.00 34.13 33.28 2jnb s GLU 61 CO 0.01 0.07 1.17 -1.25 0.02 0.00 0.00 175.26 175.28 2jnb s PRO 62 N -3.74 3.77 0.05 0.39 0.04 -1.26 -4.89 135.00 129.36 2jnb s PRO 62 Ca 0.20 1.78 0.18 0.00 0.04 0.00 0.00 61.00 63.21 2jnb s PRO 62 Cb 0.02 -2.41 -0.14 0.00 0.04 0.00 0.00 34.50 32.01 2jnb s PRO 62 CO 0.04 -0.55 0.76 -0.11 0.04 0.00 0.00 177.00 177.18 2jnb n LEU 63 N -0.47 0.70 -0.08 -3.56 7.94 -1.26 -4.22 117.00 116.05 2jnb n LEU 63 Ca 0.07 0.30 -0.08 0.00 -1.11 0.00 0.00 56.01 55.19 2jnb n LEU 63 Cb 0.48 0.08 -0.01 0.00 0.53 0.00 0.00 43.42 44.50 2jnb n LEU 63 CO 0.48 0.10 0.96 -0.33 -1.11 0.00 0.00 177.39 177.49 2jnb h GLU 64 N 0.00 0.30 -0.82 1.96 5.08 -1.99 -2.15 114.58 116.96 2jnb h GLU 64 Ca -0.15 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2jnb h GLU 64 Cb 1.48 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 2jnb h GLU 64 CO 0.03 0.20 0.54 0.82 -1.00 0.00 0.00 179.01 179.60 2jnb h ILE 65 N 0.31 0.92 -0.38 3.13 2.04 -2.01 0.05 117.51 121.57 2jnb h ILE 65 Ca 0.12 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.81 2jnb h ILE 65 Cb 0.03 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2jnb h ILE 65 CO -0.08 0.13 0.26 0.40 0.00 0.00 0.00 178.15 178.87 2jnb h ILE 66 N 0.73 0.89 0.00 -0.67 2.04 -1.57 0.24 117.51 119.16 2jnb h ILE 66 Ca 0.39 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.20 2jnb h ILE 66 Cb 0.52 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2jnb h ILE 66 CO -0.16 0.03 0.00 -0.11 0.00 0.00 0.00 178.15 177.91 2jnb n LEU 67 N -4.46 0.18 0.17 1.44 0.00 0.00 -2.25 117.00 112.08 2jnb n LEU 67 Ca 0.05 0.55 0.03 0.00 0.00 0.00 0.00 56.01 56.64 2jnb n LEU 67 Cb 0.34 -0.52 0.24 0.00 0.00 0.00 0.00 43.42 43.48 2jnb n LEU 67 CO 0.35 -0.34 0.59 -0.74 0.00 0.00 0.00 177.39 177.25 2jnb h HIS 68 N 0.00 0.00 0.80 1.96 2.76 -0.59 -3.30 115.15 116.79 2jnb h HIS 68 Ca 0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2jnb h HIS 68 Cb 0.28 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.24 2jnb h HIS 68 CO 0.00 0.47 -0.39 -0.07 -1.30 0.00 0.00 177.93 176.64 2jnb h LEU 69 N 0.00 -0.91 -9.47 0.26 3.38 -1.57 -3.43 115.31 103.57 2jnb h LEU 69 Ca -0.00 0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.46 2jnb h LEU 69 Cb 1.05 0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.05 2jnb h LEU 69 CO 0.06 -0.55 0.77 -2.16 0.09 0.00 0.00 178.44 176.65 2jnb s PRO 70 N -5.14 4.30 -0.13 1.13 0.04 -1.24 -4.96 135.00 129.00 2jnb s PRO 70 Ca -0.16 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 2jnb s PRO 70 Cb 0.02 -3.41 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 2jnb s PRO 70 CO 0.49 -0.50 0.06 -0.07 0.04 0.00 0.00 177.00 177.02 2jnb h LEU 71 N 7.52 0.00 0.00 -3.56 3.38 -1.85 -3.47 115.31 117.33 2jnb h LEU 71 Ca -0.40 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2jnb h LEU 71 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2jnb h LEU 71 CO 0.88 0.78 0.00 0.18 0.09 0.00 0.00 178.44 180.37 2jnb n LEU 72 N -4.66 0.00 0.00 1.67 7.99 -1.26 -5.15 117.00 115.59 2jnb n LEU 72 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2jnb n LEU 72 Cb 0.24 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 2jnb n LEU 72 CO 0.10 -0.27 0.00 0.00 -1.51 0.00 0.00 177.39 175.71 2jnb h GLU 74 N 0.00 0.18 0.00 0.00 9.09 -1.92 0.31 114.58 122.23 2jnb h GLU 74 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 2jnb h GLU 74 Cb 0.00 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 2jnb h GLU 74 CO 0.00 0.12 -0.02 0.22 0.05 0.00 0.00 179.01 179.38 2jnb h ASP 75 N 0.19 0.00 -0.39 3.06 1.82 -1.95 0.42 116.42 119.57 2jnb h ASP 75 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 2jnb h ASP 75 Cb 1.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 2jnb h ASP 75 CO -0.08 0.02 0.00 1.17 -1.61 0.00 0.00 179.24 178.74 2jnb n LYS 76 N -4.43 2.91 -2.30 0.28 3.00 0.11 -4.96 118.16 112.75 2jnb n LYS 76 Ca -0.03 -1.81 -0.01 0.00 -0.00 0.00 0.00 58.31 56.46 2jnb n LYS 76 Cb 0.10 -1.75 -0.01 0.00 0.00 0.00 0.00 35.03 33.38 2jnb n LYS 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jnb n ASN 77 N 0.54 -5.06 -3.33 3.14 5.03 0.14 -4.93 115.26 110.79 2jnb n ASN 77 Ca 0.16 0.96 -0.14 0.00 0.87 0.00 0.00 54.58 56.44 2jnb n ASN 77 Cb 0.67 -3.93 -0.06 0.00 -1.02 0.00 0.00 39.78 35.43 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jnb s VAL 78 N -0.98 -0.44 0.37 2.41 1.01 -1.25 -4.98 120.40 116.54 2jnb s VAL 78 Ca -0.04 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 2jnb s VAL 78 Cb 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 2jnb s VAL 78 CO 0.53 -0.49 1.20 -2.16 0.00 0.00 0.00 175.10 174.19 2jnb s PRO 79 N 1.44 4.18 -0.22 2.72 0.04 -1.26 -4.70 135.00 137.20 2jnb s PRO 79 Ca 0.17 1.94 -0.27 0.00 0.04 0.00 0.00 61.00 62.89 2jnb s PRO 79 Cb -0.13 -2.82 0.08 0.00 0.04 0.00 0.00 34.50 31.67 2jnb s PRO 79 CO -0.03 -0.25 0.76 0.71 0.04 0.00 0.00 177.00 178.23 2jnb s TYR 80 N -1.31 -0.70 -0.14 0.56 2.02 -1.26 -4.23 117.35 112.28 2jnb s TYR 80 Ca 0.54 1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 58.72 2jnb s TYR 80 Cb -0.33 0.32 0.04 0.00 -0.40 0.00 0.00 41.96 41.59 2jnb s TYR 80 CO 0.43 -0.41 0.36 0.08 -1.57 0.00 0.00 175.55 174.44 2jnb s VAL 81 N -0.06 -0.01 -0.11 0.71 1.01 -1.16 -4.87 120.40 115.90 2jnb s VAL 81 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2jnb s VAL 81 Cb -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 2jnb s VAL 81 CO 0.02 0.02 -0.07 -0.36 0.00 0.00 0.00 175.10 174.71 2jnb s PHE 82 N 0.64 2.95 0.31 5.22 0.08 -1.23 -3.17 117.98 122.78 2jnb s PHE 82 Ca -0.04 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.82 2jnb s PHE 82 Cb -0.05 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2jnb s PHE 82 CO -0.04 0.11 0.06 1.33 -0.10 0.00 0.00 175.22 176.57 2jnb n VAL 83 N 2.93 0.00 -2.18 -0.44 0.24 -1.25 -3.67 118.33 113.96 2jnb n VAL 83 Ca -0.18 -1.40 -0.34 0.00 -2.04 0.00 0.00 64.34 60.38 2jnb n VAL 83 Cb 0.53 0.16 0.02 0.00 -1.47 0.00 0.00 33.84 33.08 2jnb n VAL 83 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2jnb n ARG 84 N -0.88 3.06 -3.64 7.34 0.63 -1.26 -3.77 116.66 118.14 2jnb n ARG 84 Ca -0.10 -3.97 -0.03 0.00 -0.92 0.00 0.00 57.85 52.83 2jnb n ARG 84 Cb 0.38 -2.26 -0.05 0.00 0.45 0.00 0.00 32.46 30.98 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 -2.20 -0.10 -0.03 6.15 0.15 -1.26 -5.07 113.70 111.34 2jnb s SER 85 Ca 0.50 0.13 0.01 0.00 0.70 0.00 0.00 55.95 57.29 2jnb s SER 85 Cb 0.42 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 2jnb s SER 85 CO -0.31 -0.07 -0.02 2.29 1.20 0.00 0.00 173.24 176.32 2jnb n LYS 86 N 0.87 0.66 -0.02 5.44 2.85 -1.26 -4.58 118.16 122.12 2jnb n LYS 86 Ca -0.04 0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 57.13 2jnb n LYS 86 Cb 0.58 -1.07 0.05 0.00 -0.65 0.00 0.00 35.03 33.94 2jnb n LYS 86 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2jnb h GLN 87 N 0.00 0.64 -0.71 -1.58 4.20 -1.97 -3.07 115.11 112.62 2jnb h GLN 87 Ca -0.08 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 2jnb h GLN 87 Cb 1.13 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 2jnb h GLN 87 CO -0.01 0.99 0.44 0.00 -0.67 0.00 0.00 178.83 179.58 2jnb h ALA 88 N 0.94 1.44 0.74 3.87 0.00 -1.98 -2.03 119.26 122.24 2jnb h ALA 88 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2jnb h ALA 88 Cb 1.05 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jnb h ALA 88 CO 0.10 0.49 -0.36 1.25 0.00 0.00 0.00 179.25 180.74 2jnb h LEU 89 N 0.97 -0.84 -2.12 0.00 5.85 -1.78 -2.73 115.31 114.66 2jnb h LEU 89 Ca 0.26 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2jnb h LEU 89 Cb -0.06 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2jnb h LEU 89 CO -0.05 -0.55 0.19 1.23 -0.34 0.00 0.00 178.44 178.92 2jnb h GLY 90 N -1.08 0.00 0.91 3.75 0.00 -1.50 -2.11 103.07 103.04 2jnb h GLY 90 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2jnb h GLY 90 CO 0.17 0.00 0.05 -0.09 0.00 0.00 0.00 176.54 176.66 2jnb h ARG 91 N 0.00 0.13 0.00 4.80 2.43 -1.07 -2.34 114.38 118.34 2jnb h ARG 91 Ca 0.11 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2jnb h ARG 91 Cb 0.50 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2jnb h ARG 91 CO -0.00 0.20 -0.07 0.00 -1.51 0.00 0.00 179.97 178.59 2jnb h ALA 92 N 0.93 1.67 0.00 2.80 0.00 -1.17 -1.30 119.26 122.19 2jnb h ALA 92 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2jnb h ALA 92 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2jnb h ALA 92 CO -0.00 0.09 -0.47 0.00 0.00 0.00 0.00 179.25 178.87 2jnb n GLY 94 N 0.21 0.83 3.74 0.00 0.00 -0.49 -4.94 105.19 104.53 2jnb n GLY 94 Ca -0.01 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.94 2.83 -0.37 1.61 -7.23 -1.21 -5.03 120.40 108.06 2jnb s VAL 95 Ca 0.00 -1.69 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 2jnb s VAL 95 Cb 0.00 -2.97 0.72 0.00 0.56 0.00 0.00 36.38 34.69 2jnb s VAL 95 CO 0.00 -0.14 1.85 -1.20 -0.31 0.00 0.00 175.10 175.31 2jnb n SER 96 N -1.18 4.42 -3.47 4.85 7.64 -1.26 -4.85 113.62 119.76 2jnb n SER 96 Ca -0.02 -3.38 -0.10 0.00 1.01 0.00 0.00 58.87 56.37 2jnb n SER 96 Cb 0.62 -0.78 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 2jnb n SER 96 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jnb s ARG 97 N -3.12 1.13 0.87 1.43 0.52 -1.26 -5.17 118.95 113.34 2jnb s ARG 97 Ca 0.56 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 55.23 2jnb s ARG 97 Cb 0.46 0.51 0.11 0.00 0.52 0.00 0.00 34.95 36.55 2jnb s ARG 97 CO 0.12 -0.49 1.09 -1.25 0.02 0.00 0.00 175.30 174.79 2jnb s PRO 98 N -3.51 1.46 0.02 3.54 0.04 -1.26 -4.85 135.00 130.44 2jnb s PRO 98 Ca 0.03 0.89 0.01 0.00 0.04 0.00 0.00 61.00 61.97 2jnb s PRO 98 Cb -0.01 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2jnb s PRO 98 CO -0.11 -2.12 -0.04 0.08 0.04 0.00 0.00 177.00 174.86 2jnb s VAL 99 N -2.93 0.22 -0.05 -0.36 1.01 -1.26 -5.02 120.40 112.01 2jnb s VAL 99 Ca 0.63 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.84 2jnb s VAL 99 Cb -0.18 -0.33 -0.14 0.00 0.00 0.00 0.00 36.38 35.73 2jnb s VAL 99 CO 0.57 -0.41 0.13 2.30 0.00 0.00 0.00 175.10 177.69 2jnb n ILE 100 N 1.72 0.31 -3.56 2.22 -5.35 -1.26 -4.71 119.36 108.73 2jnb n ILE 100 Ca -0.22 -0.31 -0.08 0.00 -0.27 0.00 0.00 62.75 61.86 2jnb n ILE 100 Cb 0.55 -0.23 -0.09 0.00 -1.74 0.00 0.00 39.64 38.14 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 -2.47 -1.18 0.42 -1.28 0.00 -1.26 -3.74 121.76 112.25 2jnb s ALA 101 Ca -0.04 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.34 2jnb s ALA 101 Cb 0.05 -1.45 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 2jnb s ALA 101 CO 0.40 -0.91 0.02 0.00 0.00 0.00 0.00 175.76 175.27 2jnb s SER 103 N -3.72 1.40 -0.16 0.00 0.15 -1.19 -4.12 113.70 106.06 2jnb s SER 103 Ca 0.29 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2jnb s SER 103 Cb 0.08 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 2jnb s SER 103 CO 0.15 0.14 -0.12 -0.69 1.20 0.00 0.00 173.24 173.92 2jnb s VAL 104 N -0.29 1.53 0.55 4.45 1.01 -1.21 -3.05 120.40 123.39 2jnb s VAL 104 Ca 0.04 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.38 2jnb s VAL 104 Cb -0.05 -1.52 0.07 0.00 0.00 0.00 0.00 36.38 34.89 2jnb s VAL 104 CO -0.00 0.33 0.74 0.42 0.00 0.00 0.00 175.10 176.59 2jnb s THR 105 N 1.48 2.21 0.03 3.92 -4.23 -1.26 -2.91 115.64 114.88 2jnb s THR 105 Ca 0.03 -1.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 2jnb s THR 105 Cb -0.14 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 2jnb s THR 105 CO -0.09 0.00 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.33 2jnb s ILE 106 N -2.64 3.04 -0.58 2.99 2.07 -1.24 -4.79 121.20 120.04 2jnb s ILE 106 Ca 0.59 -1.06 0.02 0.00 -1.41 0.00 0.00 60.65 58.79 2jnb s ILE 106 Cb -0.06 -2.29 0.15 0.00 0.13 0.00 0.00 42.46 40.38 2jnb s ILE 106 CO 0.37 0.35 0.35 -0.75 -1.91 0.00 0.00 174.94 173.36 2jnb s LYS 107 N -1.43 2.24 0.04 3.50 2.47 -1.26 -5.05 119.74 120.25 2jnb s LYS 107 Ca 0.15 -2.71 -0.30 0.00 -1.56 0.00 0.00 55.97 51.55 2jnb s LYS 107 Cb -0.11 -3.46 -0.09 0.00 -1.46 0.00 0.00 37.83 32.71 2jnb s LYS 107 CO 0.06 -1.15 1.95 -0.85 0.16 0.00 0.00 175.35 175.52 2jnb n GLU 108 N 3.04 2.83 0.00 4.03 0.28 -1.26 -3.97 120.64 125.59 2jnb n GLU 108 Ca 0.08 1.04 0.00 0.00 -0.16 0.00 0.00 57.16 58.11 2jnb n GLU 108 Cb 0.34 -2.98 0.00 0.00 1.43 0.00 0.00 31.44 30.23 2jnb n GLU 108 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jnb n GLY 109 N 4.50 0.43 2.23 -1.84 0.00 -1.26 -5.11 105.19 104.15 2jnb n GLY 109 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 2jnb n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jnb n SER 110 N 0.00 2.39 0.21 1.61 7.64 -1.25 -5.03 113.62 119.18 2jnb n SER 110 Ca 0.00 -2.39 0.07 0.00 1.01 0.00 0.00 58.87 57.56 2jnb n SER 110 Cb 0.00 0.34 0.45 0.00 -1.01 0.00 0.00 64.21 63.99 2jnb n SER 110 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2jnb h GLN 111 N 0.00 0.00 -0.75 1.43 3.07 -2.01 -2.91 115.11 113.94 2jnb h GLN 111 Ca -0.25 0.00 0.21 0.00 0.09 0.00 0.00 58.65 58.70 2jnb h GLN 111 Cb 0.79 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.32 2jnb h GLN 111 CO 0.40 0.29 0.53 1.25 0.09 0.00 0.00 178.83 181.40 2jnb h LEU 112 N 0.00 0.03 -0.94 0.06 5.85 -1.96 -0.13 115.31 118.23 2jnb h LEU 112 Ca -0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 2jnb h LEU 112 Cb 0.69 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.62 2jnb h LEU 112 CO 0.04 0.01 0.54 0.50 -0.34 0.00 0.00 178.44 179.19 2jnb h LYS 113 N 0.03 0.72 0.00 1.25 3.64 -1.76 0.17 116.57 120.62 2jnb h LYS 113 Ca 0.36 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.53 2jnb h LYS 113 Cb 1.38 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 2jnb h LYS 113 CO -0.02 0.48 -0.76 0.37 -2.27 0.00 0.00 179.45 177.25 2jnb h GLN 114 N 0.74 0.00 0.06 1.90 5.75 -1.24 -2.88 115.11 119.44 2jnb h GLN 114 Ca 0.52 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 59.01 2jnb h GLN 114 Cb 0.73 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.28 2jnb h GLN 114 CO -0.36 0.76 -0.03 1.96 -2.65 0.00 0.00 178.83 178.51 2jnb h GLN 115 N 0.00 -0.08 -0.23 1.69 4.20 -0.72 -0.84 115.11 119.13 2jnb h GLN 115 Ca -0.01 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2jnb h GLN 115 Cb 1.48 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 2jnb h GLN 115 CO 0.10 0.35 -0.02 0.82 -0.67 0.00 0.00 178.83 179.41 2jnb h ILE 116 N -0.55 1.16 0.00 2.54 2.04 -0.89 -1.99 117.51 119.82 2jnb h ILE 116 Ca -0.01 -0.64 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 2jnb h ILE 116 Cb 0.48 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2jnb h ILE 116 CO 0.01 0.21 -0.60 1.56 0.00 0.00 0.00 178.15 179.33 2jnb h GLN 117 N 0.34 0.00 0.09 2.37 1.08 -1.48 -2.99 115.11 114.52 2jnb h GLN 117 Ca 0.08 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2jnb h GLN 117 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2jnb h GLN 117 CO 0.01 0.60 -0.04 1.03 -0.95 0.00 0.00 178.83 179.48 2jnb h SER 118 N 0.00 -0.10 0.11 1.46 0.87 -0.41 -3.00 113.55 112.49 2jnb h SER 118 Ca -0.01 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2jnb h SER 118 Cb 1.27 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2jnb h SER 118 CO 0.08 0.35 -0.09 -0.29 -0.53 0.00 0.00 176.83 176.36 2jnb h ILE 119 N -0.57 0.93 -0.43 2.23 2.10 -1.54 -2.48 117.51 117.74 2jnb h ILE 119 Ca -0.01 -0.31 -0.03 0.00 1.08 0.00 0.00 64.86 65.59 2jnb h ILE 119 Cb 0.48 1.17 -0.02 0.00 -1.09 0.00 0.00 36.82 37.36 2jnb h ILE 119 CO 0.02 0.09 0.17 -0.61 -1.08 0.00 0.00 178.15 176.73 2jnb h GLN 120 N 0.00 0.65 -0.75 2.19 4.15 -1.45 -2.34 115.11 117.57 2jnb h GLN 120 Ca -0.00 -0.12 0.22 0.00 0.77 0.00 0.00 58.65 59.51 2jnb h GLN 120 Cb 0.17 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 2jnb h GLN 120 CO 0.01 0.60 0.54 1.96 -1.93 0.00 0.00 178.83 180.02 2jnb h GLN 121 N 0.56 0.00 0.06 1.69 1.08 -1.30 0.24 115.11 117.43 2jnb h GLN 121 Ca 0.14 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.09 2jnb h GLN 121 Cb 0.20 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2jnb h GLN 121 CO -0.01 0.00 -1.08 1.03 -0.95 0.00 0.00 178.83 177.82 2jnb h SER 122 N 0.00 0.52 0.14 1.46 0.87 -1.49 -2.11 113.55 112.94 2jnb h SER 122 Ca 0.35 -0.47 -0.20 0.00 -1.23 0.00 0.00 61.79 60.24 2jnb h SER 122 Cb 1.43 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2jnb h SER 122 CO -0.00 1.31 -0.76 0.40 -0.53 0.00 0.00 176.83 177.24 2jnb h ILE 123 N 0.17 1.35 -0.05 2.23 2.04 -0.42 -2.32 117.51 120.51 2jnb h ILE 123 Ca -0.11 -2.11 -0.20 0.00 1.00 0.00 0.00 64.86 63.44 2jnb h ILE 123 Cb 1.76 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 39.93 2jnb h ILE 123 CO 0.19 0.64 -0.79 -0.08 0.00 0.00 0.00 178.15 178.11 2jnb h GLU 124 N 0.35 0.40 -0.18 2.37 4.22 -0.90 -3.08 114.58 117.76 2jnb h GLU 124 Ca -0.04 -0.36 -0.05 0.00 0.08 0.00 0.00 59.36 58.99 2jnb h GLU 124 Cb 1.36 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 2jnb h GLU 124 CO 0.14 1.01 -0.09 0.00 -2.18 0.00 0.00 179.01 177.88 2jnb h ARG 125 N 0.26 0.38 -0.42 1.92 2.47 -1.39 -2.13 114.38 115.47 2jnb h ARG 125 Ca -0.04 -0.17 0.07 0.00 -1.26 0.00 0.00 59.98 58.58 2jnb h ARG 125 Cb 1.39 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.64 2jnb h ARG 125 CO 0.14 0.69 0.07 -0.07 0.56 0.00 0.00 179.97 181.36 2jnb h LEU 126 N 0.06 -0.02 -1.52 3.04 3.38 -1.47 -0.30 115.31 118.47 2jnb h LEU 126 Ca 0.04 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2jnb h LEU 126 Cb 0.58 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2jnb h LEU 126 CO 0.03 0.02 -0.24 -0.07 0.09 0.00 0.00 178.44 178.27 2jnb h LEU 127 N 0.19 0.00 0.00 1.67 3.38 -1.53 -3.49 115.31 115.53 2jnb h LEU 127 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jnb h LEU 127 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jnb h LEU 127 CO -0.28 0.24 0.00 0.52 0.09 0.00 0.00 178.44 179.00