#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 2.08 -2.22 2.03 -2.24 -1.26 -4.63 114.28 108.05 2jnb n THR 2 Ca 0.00 -2.75 -0.04 0.00 -2.27 0.00 0.00 64.05 58.99 2jnb n THR 2 Cb 0.00 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 2jnb n THR 2 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2jnb n GLU 3 N -1.24 0.30 -2.59 -0.78 4.07 -1.26 -4.99 120.64 114.14 2jnb n GLU 3 Ca 0.18 -1.28 -0.37 0.00 -0.06 0.00 0.00 57.16 55.63 2jnb n GLU 3 Cb 0.69 0.33 0.01 0.00 -0.06 0.00 0.00 31.44 32.41 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jnb n ALA 4 N -0.21 5.81 -1.72 4.31 0.00 -1.26 -4.91 120.51 122.53 2jnb n ALA 4 Ca -0.20 -4.55 -0.41 0.00 0.00 0.00 0.00 53.44 48.28 2jnb n ALA 4 Cb 0.80 -1.78 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 2jnb n ALA 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jnb n ASP 5 N -0.19 4.91 -3.68 0.00 8.00 -1.26 -4.84 116.55 119.51 2jnb n ASP 5 Ca 0.44 -2.82 -0.23 0.00 0.71 0.00 0.00 54.79 52.89 2jnb n ASP 5 Cb 0.30 -1.62 -0.18 0.00 -0.02 0.00 0.00 41.12 39.61 2jnb n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jnb s VAL 6 N 2.68 0.02 0.07 2.53 -7.23 -1.26 -5.14 120.40 112.07 2jnb s VAL 6 Ca 0.50 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 2jnb s VAL 6 Cb 0.14 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 2jnb s VAL 6 CO -0.08 0.05 -0.04 0.54 -0.31 0.00 0.00 175.10 175.26 2jnb s ASN 7 N 2.11 0.76 0.90 4.85 2.20 -1.26 -5.16 114.94 119.33 2jnb s ASN 7 Ca 0.04 -1.01 -0.12 0.00 -0.94 0.00 0.00 52.86 50.83 2jnb s ASN 7 Cb -0.13 0.16 0.13 0.00 -2.00 0.00 0.00 41.25 39.40 2jnb s ASN 7 CO -0.05 -0.55 1.09 -2.16 -2.94 0.00 0.00 177.10 172.49 2jnb s PRO 8 N -3.89 1.24 0.60 3.55 0.04 -1.26 -4.91 135.00 130.36 2jnb s PRO 8 Ca 0.10 0.81 0.35 0.00 0.04 0.00 0.00 61.00 62.29 2jnb s PRO 8 Cb 0.07 -1.81 1.92 0.00 0.04 0.00 0.00 34.50 34.72 2jnb s PRO 8 CO -0.07 -2.25 2.24 0.87 0.04 0.00 0.00 177.00 177.82 2jnb h LYS 9 N -1.56 0.00 -2.40 4.56 6.56 -2.02 -3.13 116.57 118.58 2jnb h LYS 9 Ca -0.50 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 58.60 2jnb h LYS 9 Cb 1.28 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.87 2jnb h LYS 9 CO 0.55 0.03 1.51 0.00 -2.06 0.00 0.00 179.45 179.47 2jnb n ALA 10 N -2.22 6.83 -2.26 3.86 0.00 -1.26 -4.87 120.51 120.58 2jnb n ALA 10 Ca -0.02 -2.97 -0.15 0.00 0.00 0.00 0.00 53.44 50.30 2jnb n ALA 10 Cb 0.13 -2.68 -0.10 0.00 0.00 0.00 0.00 19.45 16.80 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 0.41 1.32 1.14 0.00 1.51 -1.18 -4.39 117.35 116.15 2jnb s TYR 11 Ca 0.64 -0.74 -0.17 0.00 -1.01 0.00 0.00 57.07 55.79 2jnb s TYR 11 Cb 0.27 -0.66 0.26 0.00 -0.11 0.00 0.00 41.96 41.71 2jnb s TYR 11 CO -0.08 0.12 1.10 -1.25 -1.11 0.00 0.00 175.55 174.33 2jnb s PRO 12 N -3.74 -0.70 -0.20 -1.71 0.04 -1.26 -4.77 135.00 122.67 2jnb s PRO 12 Ca 0.17 0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.36 2jnb s PRO 12 Cb 0.02 -1.64 0.04 0.00 0.04 0.00 0.00 34.50 32.96 2jnb s PRO 12 CO 0.01 -3.41 -0.11 -1.17 0.04 0.00 0.00 177.00 172.37 2jnb s LEU 13 N -6.79 2.33 -0.17 -3.56 2.96 -1.26 -3.86 118.68 108.33 2jnb s LEU 13 Ca 0.69 -0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 53.50 2jnb s LEU 13 Cb -0.13 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 2jnb s LEU 13 CO 0.57 -0.13 0.64 0.00 -1.32 0.00 0.00 176.35 176.10 2jnb s ALA 14 N 1.37 3.51 1.16 5.97 0.00 -1.26 -5.05 121.76 127.46 2jnb s ALA 14 Ca -0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 2jnb s ALA 14 Cb -0.16 -2.96 0.18 0.00 0.00 0.00 0.00 23.12 20.18 2jnb s ALA 14 CO -0.08 -0.45 0.34 -0.40 0.00 0.00 0.00 175.76 175.16 2jnb n ASP 15 N 4.77 -2.43 0.25 0.00 5.75 -1.26 -4.45 116.55 119.18 2jnb n ASP 15 Ca -0.01 -0.23 0.09 0.00 -0.01 0.00 0.00 54.79 54.62 2jnb n ASP 15 Cb 0.50 -1.01 0.64 0.00 -1.03 0.00 0.00 41.12 40.22 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 -2.42 1.68 -0.06 2.12 0.00 -1.99 -0.77 119.26 117.83 2jnb h ALA 16 Ca -0.53 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 2jnb h ALA 16 Cb 1.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jnb h ALA 16 CO 0.39 0.12 -0.78 1.25 0.00 0.00 0.00 179.25 180.23 2jnb h HIS 17 N 0.00 0.54 -0.01 0.00 6.17 -2.02 -3.14 115.15 116.69 2jnb h HIS 17 Ca -0.00 -0.25 -0.12 0.00 0.71 0.00 0.00 60.37 60.71 2jnb h HIS 17 Cb 0.19 -0.08 0.01 0.00 2.52 0.00 0.00 27.41 30.05 2jnb h HIS 17 CO 0.00 1.02 -0.45 -0.07 0.71 0.00 0.00 177.93 179.14 2jnb h LEU 18 N 0.25 0.41 -1.96 0.26 3.38 -1.67 -3.22 115.31 112.76 2jnb h LEU 18 Ca -0.04 -0.75 0.20 0.00 0.09 0.00 0.00 57.88 57.37 2jnb h LEU 18 Cb 1.37 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 2jnb h LEU 18 CO 0.13 1.11 0.50 0.71 0.09 0.00 0.00 178.44 180.99 2jnb h THR 19 N -0.25 0.66 -0.87 0.22 1.35 -1.24 0.47 112.91 113.25 2jnb h THR 19 Ca -0.05 -0.01 0.09 0.00 -0.55 0.00 0.00 66.41 65.89 2jnb h THR 19 Cb 1.17 0.62 -0.06 0.00 -1.73 0.00 0.00 68.15 68.15 2jnb h THR 19 CO 0.09 0.01 0.57 0.50 -0.25 0.00 0.00 175.52 176.43 2jnb h LYS 20 N 0.04 0.84 -0.08 4.72 3.64 -1.55 -0.52 116.57 123.66 2jnb h LYS 20 Ca 0.34 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.45 2jnb h LYS 20 Cb 1.30 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2jnb h LYS 20 CO -0.02 0.56 -0.83 0.87 -2.27 0.00 0.00 179.45 177.76 2jnb h LYS 21 N 0.87 0.59 -0.58 1.90 1.57 -1.06 -3.25 116.57 116.61 2jnb h LYS 21 Ca 0.40 -0.53 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2jnb h LYS 21 Cb 0.40 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2jnb h LYS 21 CO -0.17 1.15 0.26 1.25 -0.57 0.00 0.00 179.45 181.37 2jnb h LEU 22 N 0.38 0.78 -1.47 2.94 5.85 -1.16 -2.48 115.31 120.16 2jnb h LEU 22 Ca -0.06 -0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.64 2jnb h LEU 22 Cb 1.44 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2jnb h LEU 22 CO 0.16 0.71 0.51 -0.07 -0.34 0.00 0.00 178.44 179.41 2jnb h LEU 23 N 0.80 0.50 -0.78 2.25 4.07 -1.17 -0.53 115.31 120.45 2jnb h LEU 23 Ca 0.20 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 2jnb h LEU 23 Cb 0.16 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.78 2jnb h LEU 23 CO -0.02 0.27 0.42 -0.78 -1.08 0.00 0.00 178.44 177.25 2jnb h ASP 24 N 0.54 0.98 0.55 -0.43 1.82 -1.48 0.18 116.42 118.58 2jnb h ASP 24 Ca 0.38 -0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.89 2jnb h ASP 24 Cb 0.71 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.47 2jnb h ASP 24 CO -0.14 0.80 -0.27 0.25 -1.61 0.00 0.00 179.24 178.28 2jnb h LEU 25 N 1.08 -0.63 -1.00 2.28 7.12 -1.09 0.93 115.31 124.00 2jnb h LEU 25 Ca 0.27 -0.05 0.11 0.00 0.13 0.00 0.00 57.88 58.35 2jnb h LEU 25 Cb 0.05 0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 40.26 2jnb h LEU 25 CO -0.04 -0.27 0.63 0.58 -0.13 0.00 0.00 178.44 179.20 2jnb h VAL 26 N -1.03 0.94 -0.16 1.05 2.07 -1.38 -0.31 116.25 117.43 2jnb h VAL 26 Ca -0.08 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2jnb h VAL 26 Cb 0.64 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2jnb h VAL 26 CO 0.12 0.18 -0.06 -0.61 0.02 0.00 0.00 177.57 177.22 2jnb h GLN 27 N 1.00 0.33 -0.63 1.57 4.15 -0.92 -3.06 115.11 117.56 2jnb h GLN 27 Ca 0.49 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.79 2jnb h GLN 27 Cb 0.45 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 2jnb h GLN 27 CO -0.26 0.63 0.42 1.96 -1.93 0.00 0.00 178.83 179.65 2jnb h GLN 28 N 0.02 0.78 -0.39 1.69 4.20 -0.11 -2.60 115.11 118.70 2jnb h GLN 28 Ca 0.04 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.78 2jnb h GLN 28 Cb 0.52 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 2jnb h GLN 28 CO 0.02 0.51 -0.10 1.03 -0.67 0.00 0.00 178.83 179.63 2jnb h SER 29 N 0.80 -0.37 -0.10 1.46 0.87 -0.97 0.16 113.55 115.40 2jnb h SER 29 Ca 0.24 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.95 2jnb h SER 29 Cb -0.01 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jnb h SER 29 CO -0.06 -0.13 0.09 0.00 -0.53 0.00 0.00 176.83 176.20 2jnb h ASN 31 N 0.00 0.00 -0.64 0.00 -0.73 -0.66 -2.20 115.58 111.36 2jnb h ASN 31 Ca 0.05 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 58.00 2jnb h ASN 31 Cb 0.22 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.69 2jnb h ASN 31 CO -0.00 0.19 0.27 -1.22 -0.37 0.00 0.00 177.43 176.31 2jnb n TYR 32 N -3.68 2.08 -2.14 0.67 4.01 0.05 -4.87 117.16 113.28 2jnb n TYR 32 Ca -0.01 -1.10 -0.19 0.00 -0.16 0.00 0.00 57.90 56.44 2jnb n TYR 32 Cb 0.31 -0.63 -0.03 0.00 -0.31 0.00 0.00 39.34 38.68 2jnb n TYR 32 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2jnb n LYS 33 N -0.18 -1.68 -4.27 -0.72 4.81 -0.83 -4.96 118.16 110.33 2jnb n LYS 33 Ca 0.36 0.99 -0.19 0.00 -0.87 0.00 0.00 58.31 58.59 2jnb n LYS 33 Cb 1.24 -5.55 -0.16 0.00 0.02 0.00 0.00 35.03 30.58 2jnb n LYS 33 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2jnb s GLN 34 N -4.59 0.81 0.12 1.64 -2.07 -1.08 -5.03 119.66 109.46 2jnb s GLN 34 Ca 0.00 -0.21 -0.26 0.00 -1.82 0.00 0.00 55.36 53.07 2jnb s GLN 34 Cb 0.00 -0.78 0.08 0.00 -1.09 0.00 0.00 33.01 31.22 2jnb s GLN 34 CO 0.00 0.04 1.05 -0.48 -1.32 0.00 0.00 175.29 174.58 2jnb s LEU 35 N 0.39 -0.11 -0.29 2.60 0.05 -1.26 -1.89 118.68 118.18 2jnb s LEU 35 Ca -0.05 -0.40 -0.08 0.00 0.05 0.00 0.00 54.13 53.65 2jnb s LEU 35 Cb -0.10 1.96 0.14 0.00 -2.05 0.00 0.00 46.19 46.14 2jnb s LEU 35 CO 0.00 -0.78 0.60 -0.60 -0.55 0.00 0.00 176.35 175.02 2jnb s ARG 36 N -2.87 0.54 -0.59 1.48 6.06 -1.18 -4.94 118.95 117.45 2jnb s ARG 36 Ca 0.15 1.30 0.04 0.00 -2.50 0.00 0.00 55.73 54.72 2jnb s ARG 36 Cb -0.00 0.71 0.16 0.00 0.06 0.00 0.00 34.95 35.88 2jnb s ARG 36 CO 0.02 -0.29 0.41 0.15 -2.50 0.00 0.00 175.30 173.08 2jnb s LYS 37 N 2.85 1.90 -0.29 5.12 1.02 -1.26 -0.29 119.74 128.79 2jnb s LYS 37 Ca -0.00 -2.82 -0.24 0.00 0.02 0.00 0.00 55.97 52.93 2jnb s LYS 37 Cb -0.13 -2.79 0.16 0.00 -0.52 0.00 0.00 37.83 34.55 2jnb s LYS 37 CO -0.18 -1.28 1.21 0.20 -0.92 0.00 0.00 175.35 174.38 2jnb s GLY 38 N -0.76 0.11 0.07 -3.33 0.00 -0.98 -4.99 107.32 97.43 2jnb s GLY 38 Ca 0.25 3.12 -0.10 0.00 0.00 0.00 0.00 44.72 47.99 2jnb s GLY 38 CO -0.14 1.97 1.13 0.00 0.00 0.00 0.00 173.10 176.06 2jnb h ALA 39 N 3.90 0.06 0.01 3.20 0.00 -1.95 -2.56 119.26 121.93 2jnb h ALA 39 Ca -0.28 -0.82 -0.23 0.00 0.00 0.00 0.00 54.91 53.58 2jnb h ALA 39 Cb 1.19 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2jnb h ALA 39 CO 0.15 0.81 -1.16 -0.97 0.00 0.00 0.00 179.25 178.07 2jnb h ASN 40 N 0.18 0.04 0.92 0.00 -0.73 -1.94 -3.28 115.58 110.76 2jnb h ASN 40 Ca -0.17 -0.05 -0.12 0.00 1.87 0.00 0.00 56.30 57.83 2jnb h ASN 40 Cb 1.93 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 40.49 2jnb h ASN 40 CO 0.22 1.04 -0.59 -0.33 -0.37 0.00 0.00 177.43 177.41 2jnb h GLU 41 N 0.01 0.00 -0.18 6.67 3.07 -1.95 -3.10 114.58 119.10 2jnb h GLU 41 Ca -0.08 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.84 2jnb h GLU 41 Cb 1.84 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.74 2jnb h GLU 41 CO 0.13 0.59 0.23 0.00 -1.40 0.00 0.00 179.01 178.55 2jnb h ALA 42 N 1.41 1.74 0.02 3.43 0.00 -1.51 0.65 119.26 125.00 2jnb h ALA 42 Ca -0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2jnb h ALA 42 Cb 1.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2jnb h ALA 42 CO 0.08 -0.32 -0.95 1.15 0.00 0.00 0.00 179.25 179.20 2jnb h THR 43 N 0.00 1.57 -0.34 0.00 2.02 -1.71 -3.30 112.91 111.14 2jnb h THR 43 Ca 0.08 -2.93 0.06 0.00 0.77 0.00 0.00 66.41 64.39 2jnb h THR 43 Cb 0.54 2.65 -0.05 0.00 -1.74 0.00 0.00 68.15 69.55 2jnb h THR 43 CO -0.00 0.85 0.02 0.11 0.37 0.00 0.00 175.52 176.87 2jnb h LYS 44 N 0.05 0.12 0.14 6.66 1.57 -1.00 0.24 116.57 124.35 2jnb h LYS 44 Ca -0.04 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2jnb h LYS 44 Cb 1.64 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.87 2jnb h LYS 44 CO 0.14 0.08 -0.50 1.79 -0.57 0.00 0.00 179.45 180.39 2jnb h THR 45 N 0.13 0.05 -0.04 -0.16 1.35 -1.63 -1.10 112.91 111.51 2jnb h THR 45 Ca 0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.01 2jnb h THR 45 Cb 0.22 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.68 2jnb h THR 45 CO -0.26 0.00 -0.07 0.25 -0.25 0.00 0.00 175.52 175.19 2jnb h LEU 46 N -0.74 0.05 -1.07 3.87 6.46 -1.62 -1.85 115.31 120.40 2jnb h LEU 46 Ca 0.00 -0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 2jnb h LEU 46 Cb 0.75 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.60 2jnb h LEU 46 CO -0.27 0.13 0.62 -1.13 -0.62 0.00 0.00 178.44 177.17 2jnb h ASN 47 N 0.05 0.98 1.14 1.25 -1.24 0.74 -1.72 115.58 116.79 2jnb h ASN 47 Ca 0.01 0.01 -0.12 0.00 0.71 0.00 0.00 56.30 56.91 2jnb h ASN 47 Cb 0.17 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 2jnb h ASN 47 CO 0.01 0.63 -0.90 0.03 -1.29 0.00 0.00 177.43 175.91 2jnb h ARG 48 N 1.12 0.00 -0.12 6.67 2.47 -0.76 -3.48 114.38 120.27 2jnb h ARG 48 Ca 0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 2jnb h ARG 48 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2jnb h ARG 48 CO -0.16 0.34 0.00 0.41 0.56 0.00 0.00 179.97 181.12 2jnb n GLY 49 N 1.28 0.79 0.46 0.04 0.00 -0.65 -5.02 105.19 102.10 2jnb n GLY 49 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.16 0.00 -3.01 -0.61 -6.64 -0.96 -5.02 119.36 102.97 2jnb n ILE 50 Ca 0.00 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.55 2jnb n ILE 50 Cb 0.04 0.48 -0.06 0.00 -1.44 0.00 0.00 39.64 38.66 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 -0.81 6.36 -0.03 7.28 0.15 -1.24 -3.82 113.70 121.59 2jnb s SER 51 Ca 0.00 -0.30 -0.22 0.00 0.70 0.00 0.00 55.95 56.14 2jnb s SER 51 Cb 0.00 -2.36 -0.26 0.00 -1.71 0.00 0.00 66.02 61.69 2jnb s SER 51 CO 0.00 -0.92 1.01 -0.33 1.20 0.00 0.00 173.24 174.20 2jnb h GLU 52 N 9.00 0.32 -1.57 5.44 4.39 -1.90 -3.46 114.58 126.80 2jnb h GLU 52 Ca -0.25 -0.40 0.25 0.00 0.34 0.00 0.00 59.36 59.29 2jnb h GLU 52 Cb 1.09 0.13 -0.17 0.00 -0.10 0.00 0.00 28.75 29.69 2jnb h GLU 52 CO 0.96 1.11 0.77 -0.59 -1.16 0.00 0.00 179.01 180.11 2jnb s PHE 53 N -2.92 -0.14 -0.03 4.33 -0.71 -1.25 -5.03 117.98 112.24 2jnb s PHE 53 Ca -0.14 0.07 -0.01 0.00 -1.04 0.00 0.00 56.93 55.81 2jnb s PHE 53 Cb 0.02 0.52 0.03 0.00 -1.21 0.00 0.00 43.02 42.38 2jnb s PHE 53 CO 0.81 -0.26 0.05 0.42 -1.34 0.00 0.00 175.22 174.90 2jnb s ILE 54 N -2.51 -0.07 -0.16 -4.49 1.01 -1.26 -1.69 121.20 112.02 2jnb s ILE 54 Ca 0.10 0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.89 2jnb s ILE 54 Cb -0.00 -0.12 -0.05 0.00 0.01 0.00 0.00 42.46 42.30 2jnb s ILE 54 CO -0.05 0.11 0.22 -0.69 0.00 0.00 0.00 174.94 174.53 2jnb s VAL 55 N 1.33 5.35 0.26 2.92 1.01 -0.16 -3.75 120.40 127.37 2jnb s VAL 55 Ca -0.06 0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.40 2jnb s VAL 55 Cb -0.13 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2jnb s VAL 55 CO -0.03 0.46 -0.13 0.00 0.00 0.00 0.00 175.10 175.39 2jnb s MET 56 N 0.09 1.53 -0.34 2.72 0.23 -1.03 -0.53 119.30 121.96 2jnb s MET 56 Ca 0.14 -1.72 -0.19 0.00 -1.03 0.00 0.00 55.69 52.89 2jnb s MET 56 Cb -0.12 -1.35 -0.00 0.00 -1.53 0.00 0.00 34.83 31.82 2jnb s MET 56 CO 0.03 0.18 0.54 0.00 -2.03 0.00 0.00 175.02 173.73 2jnb s ALA 57 N -2.83 3.48 0.47 3.16 0.00 0.80 -1.07 121.76 125.77 2jnb s ALA 57 Ca 0.27 -0.95 0.24 0.00 0.00 0.00 0.00 51.96 51.52 2jnb s ALA 57 Cb -0.00 -3.04 1.43 0.00 0.00 0.00 0.00 23.12 21.51 2jnb s ALA 57 CO 0.11 -1.21 2.10 0.00 0.00 0.00 0.00 175.76 176.77 2jnb h ALA 58 N 8.43 1.47 -0.79 0.00 0.00 -0.85 -1.71 119.26 125.81 2jnb h ALA 58 Ca -0.28 -0.09 -0.40 0.00 0.00 0.00 0.00 54.91 54.14 2jnb h ALA 58 Cb 1.12 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.66 2jnb h ALA 58 CO 0.78 0.13 0.51 -3.47 0.00 0.00 0.00 179.25 177.19 2jnb n ASP 59 N -3.89 3.68 -4.52 0.00 -0.08 -1.26 -4.92 116.55 105.56 2jnb n ASP 59 Ca -0.02 -3.27 -0.28 0.00 -1.51 0.00 0.00 54.79 49.70 2jnb n ASP 59 Cb 0.19 -0.77 -0.10 0.00 2.34 0.00 0.00 41.12 42.78 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 -2.66 2.80 0.09 -1.67 0.00 -0.64 -5.01 121.76 114.67 2jnb s ALA 60 Ca 0.46 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 2jnb s ALA 60 Cb 0.39 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2jnb s ALA 60 CO 0.09 0.53 0.12 -1.21 0.00 0.00 0.00 175.76 175.29 2jnb s GLU 61 N -2.47 0.81 1.14 0.00 2.02 -1.26 -4.48 118.70 114.45 2jnb s GLU 61 Ca 0.21 -1.11 -0.17 0.00 0.02 0.00 0.00 54.97 53.93 2jnb s GLU 61 Cb -0.10 0.30 0.26 0.00 0.10 0.00 0.00 34.13 34.68 2jnb s GLU 61 CO 0.12 -0.23 1.10 -1.25 0.02 0.00 0.00 175.26 175.03 2jnb s PRO 62 N -3.91 -0.70 0.31 0.39 0.04 -1.26 -5.07 135.00 124.81 2jnb s PRO 62 Ca 0.09 0.12 0.23 0.00 0.04 0.00 0.00 61.00 61.47 2jnb s PRO 62 Cb 0.06 -1.64 0.15 0.00 0.04 0.00 0.00 34.50 33.11 2jnb s PRO 62 CO -0.08 -3.40 1.30 -0.07 0.04 0.00 0.00 177.00 174.78 2jnb h LEU 63 N -2.36 0.00 -0.78 -3.56 3.38 -2.01 -3.34 115.31 106.64 2jnb h LEU 63 Ca -0.48 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.63 2jnb h LEU 63 Cb 1.31 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.96 2jnb h LEU 63 CO 0.42 0.01 0.34 -0.33 0.09 0.00 0.00 178.44 178.98 2jnb h GLU 64 N 0.00 0.49 0.00 1.13 5.08 -1.97 0.33 114.58 119.65 2jnb h GLU 64 Ca -0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2jnb h GLU 64 Cb 1.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2jnb h GLU 64 CO 0.00 0.32 -0.16 -0.84 -1.00 0.00 0.00 179.01 177.33 2jnb h ILE 65 N 0.50 0.91 0.13 3.13 3.07 -1.98 0.24 117.51 123.51 2jnb h ILE 65 Ca 0.42 -0.60 -0.21 0.00 1.55 0.00 0.00 64.86 66.03 2jnb h ILE 65 Cb 0.62 1.34 0.01 0.00 -0.27 0.00 0.00 36.82 38.52 2jnb h ILE 65 CO -0.38 0.16 -0.98 0.40 -1.05 0.00 0.00 178.15 176.29 2jnb h ILE 66 N 0.00 1.36 0.00 0.16 1.08 -0.73 -3.30 117.51 116.09 2jnb h ILE 66 Ca -0.00 -2.49 0.00 0.00 -0.39 0.00 0.00 64.86 61.98 2jnb h ILE 66 Cb 0.33 3.04 0.00 0.00 -3.07 0.00 0.00 36.82 37.12 2jnb h ILE 66 CO 0.02 0.70 0.00 -0.11 -0.69 0.00 0.00 178.15 178.07 2jnb n LEU 67 N -4.08 0.15 0.19 1.44 7.94 0.79 -2.89 117.00 120.54 2jnb n LEU 67 Ca -0.17 0.52 0.08 0.00 -1.11 0.00 0.00 56.01 55.32 2jnb n LEU 67 Cb 0.83 -0.48 0.23 0.00 0.53 0.00 0.00 43.42 44.54 2jnb n LEU 67 CO 0.45 -0.12 0.69 0.45 -1.11 0.00 0.00 177.39 177.75 2jnb h HIS 68 N 0.00 0.00 0.09 1.96 3.86 -0.59 -3.32 115.15 117.15 2jnb h HIS 68 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2jnb h HIS 68 Cb 0.46 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.88 2jnb h HIS 68 CO 0.00 0.27 -0.52 -0.07 0.86 0.00 0.00 177.93 178.46 2jnb h LEU 69 N 0.00 -1.58 0.00 2.43 4.07 -1.64 -3.43 115.31 115.16 2jnb h LEU 69 Ca -0.00 0.17 -0.11 0.00 0.08 0.00 0.00 57.88 58.02 2jnb h LEU 69 Cb 1.04 0.59 0.05 0.00 1.08 0.00 0.00 40.66 43.43 2jnb h LEU 69 CO 0.03 -0.55 0.03 -0.81 -1.08 0.00 0.00 178.44 176.07 2jnb n PRO 70 N -5.48 -1.60 -0.07 1.13 -0.04 -1.25 -5.00 135.00 122.69 2jnb n PRO 70 Ca -0.08 -0.48 -0.06 0.00 -0.04 0.00 0.00 63.50 62.84 2jnb n PRO 70 Cb 0.41 -0.45 -0.04 0.00 -0.04 0.00 0.00 33.50 33.38 2jnb n PRO 70 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2jnb h LEU 71 N 0.00 0.00 0.00 1.53 3.38 -1.86 -3.47 115.31 114.89 2jnb h LEU 71 Ca -0.11 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2jnb h LEU 71 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jnb h LEU 71 CO 0.07 0.78 0.00 0.18 0.09 0.00 0.00 178.44 179.57 2jnb n LEU 72 N -4.66 0.00 0.00 1.67 4.32 -1.26 -5.05 117.00 112.02 2jnb n LEU 72 Ca -0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2jnb n LEU 72 Cb 0.24 -0.11 0.01 0.00 -1.62 0.00 0.00 43.42 41.94 2jnb n LEU 72 CO 0.11 -0.27 0.30 0.00 -1.22 0.00 0.00 177.39 176.31 2jnb h GLU 74 N 0.00 0.00 -0.88 0.00 -0.00 -1.93 0.76 114.58 112.53 2jnb h GLU 74 Ca -0.08 0.00 0.08 0.00 -0.00 0.00 0.00 59.36 59.36 2jnb h GLU 74 Cb 0.39 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.08 2jnb h GLU 74 CO 0.11 0.00 0.57 0.22 -0.00 0.00 0.00 179.01 179.91 2jnb h ASP 75 N 0.00 0.84 -0.35 3.06 3.58 -2.00 0.14 116.42 121.69 2jnb h ASP 75 Ca 0.17 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2jnb h ASP 75 Cb 1.11 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2jnb h ASP 75 CO -0.00 0.52 0.00 1.17 -2.88 0.00 0.00 179.24 178.05 2jnb n LYS 76 N -4.50 2.42 -2.22 0.28 4.81 0.26 -4.96 118.16 114.25 2jnb n LYS 76 Ca 0.14 -1.50 -0.02 0.00 -0.87 0.00 0.00 58.31 56.05 2jnb n LYS 76 Cb 0.24 -1.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.69 2jnb n LYS 76 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2jnb n ASN 77 N 0.49 -3.03 -4.19 3.14 5.15 0.48 -4.97 115.26 112.33 2jnb n ASN 77 Ca 0.14 0.87 -0.41 0.00 -0.60 0.00 0.00 54.58 54.58 2jnb n ASN 77 Cb 0.52 -3.70 -0.06 0.00 -0.53 0.00 0.00 39.78 36.00 2jnb n ASN 77 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2jnb s VAL 78 N -0.68 4.49 -0.43 3.44 0.11 -1.26 -4.97 120.40 121.10 2jnb s VAL 78 Ca -0.10 -2.76 -0.28 0.00 -2.93 0.00 0.00 61.98 55.90 2jnb s VAL 78 Cb 0.01 -3.85 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 2jnb s VAL 78 CO 0.50 -0.94 1.75 -2.16 -3.33 0.00 0.00 175.10 170.92 2jnb s PRO 79 N 0.03 3.15 -0.21 1.54 0.04 -1.26 -4.94 135.00 133.35 2jnb s PRO 79 Ca 0.17 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 62.03 2jnb s PRO 79 Cb -0.16 -4.23 0.08 0.00 0.04 0.00 0.00 34.50 30.23 2jnb s PRO 79 CO -0.06 -2.08 0.79 0.71 0.04 0.00 0.00 177.00 176.41 2jnb s TYR 80 N 7.32 -0.66 0.07 0.56 2.02 -1.26 -4.91 117.35 120.49 2jnb s TYR 80 Ca 0.73 1.46 -0.17 0.00 -0.37 0.00 0.00 57.07 58.72 2jnb s TYR 80 Cb -0.18 0.34 -0.06 0.00 -0.40 0.00 0.00 41.96 41.66 2jnb s TYR 80 CO 0.29 -0.41 0.51 0.54 -1.57 0.00 0.00 175.55 174.92 2jnb s VAL 81 N -0.18 4.86 0.34 0.71 0.11 -1.25 -4.10 120.40 120.89 2jnb s VAL 81 Ca -0.02 1.00 0.10 0.00 -2.93 0.00 0.00 61.98 60.12 2jnb s VAL 81 Cb -0.03 -3.80 -0.06 0.00 -1.53 0.00 0.00 36.38 30.95 2jnb s VAL 81 CO 0.02 0.49 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.83 2jnb s PHE 82 N -1.18 2.42 -0.15 1.54 0.40 -1.25 -2.47 117.98 117.29 2jnb s PHE 82 Ca 0.29 -0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 56.04 2jnb s PHE 82 Cb -0.18 -1.36 0.04 0.00 0.51 0.00 0.00 43.02 42.04 2jnb s PHE 82 CO 0.17 0.58 0.38 0.14 0.70 0.00 0.00 175.22 177.19 2jnb s VAL 83 N -2.58 -0.01 -0.51 -0.44 -7.23 -0.24 -4.19 120.40 105.20 2jnb s VAL 83 Ca 0.33 0.04 -0.02 0.00 -1.81 0.00 0.00 61.98 60.52 2jnb s VAL 83 Cb 0.01 -0.54 0.33 0.00 0.56 0.00 0.00 36.38 36.74 2jnb s VAL 83 CO 0.17 0.02 2.05 -1.14 -0.31 0.00 0.00 175.10 175.89 2jnb n ARG 84 N 3.43 2.29 -3.39 4.82 0.63 -1.26 -0.11 116.66 123.06 2jnb n ARG 84 Ca -0.17 -2.50 -0.14 0.00 -0.92 0.00 0.00 57.85 54.12 2jnb n ARG 84 Cb 0.56 -1.98 -0.09 0.00 0.45 0.00 0.00 32.46 31.40 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2jnb s SER 85 N -0.85 0.95 0.05 6.15 0.01 -1.26 -4.89 113.70 113.86 2jnb s SER 85 Ca 0.49 -0.26 0.12 0.00 1.31 0.00 0.00 55.95 57.61 2jnb s SER 85 Cb 0.38 0.76 -0.18 0.00 0.21 0.00 0.00 66.02 67.20 2jnb s SER 85 CO -0.03 -0.34 0.92 0.07 0.41 0.00 0.00 173.24 174.27 2jnb h LYS 86 N 8.23 0.00 0.03 12.44 2.10 -1.89 -3.26 116.57 134.22 2jnb h LYS 86 Ca -0.15 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2jnb h LYS 86 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2jnb h LYS 86 CO 0.29 0.59 -0.01 0.37 -2.00 0.00 0.00 179.45 178.69 2jnb h GLN 87 N 0.00 -0.03 -0.39 0.07 4.15 -1.94 -2.83 115.11 114.14 2jnb h GLN 87 Ca -0.17 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.31 2jnb h GLN 87 Cb 1.82 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.49 2jnb h GLN 87 CO 0.08 0.52 0.26 0.00 -1.93 0.00 0.00 178.83 177.77 2jnb h ALA 88 N 0.33 1.98 -0.07 3.38 0.00 -1.99 -0.71 119.26 122.17 2jnb h ALA 88 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2jnb h ALA 88 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jnb h ALA 88 CO 0.01 -0.05 -0.50 1.25 0.00 0.00 0.00 179.25 179.96 2jnb h LEU 89 N 0.31 0.20 -0.56 0.00 6.46 -1.59 -2.47 115.31 117.66 2jnb h LEU 89 Ca 0.17 -0.10 -0.13 0.00 -0.12 0.00 0.00 57.88 57.70 2jnb h LEU 89 Cb 0.28 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2jnb h LEU 89 CO -0.04 0.67 -0.29 1.23 -0.62 0.00 0.00 178.44 179.40 2jnb h GLY 90 N 1.38 0.92 2.00 3.75 0.00 -0.87 -2.50 103.07 107.75 2jnb h GLY 90 Ca 0.01 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.38 2jnb h GLY 90 CO 0.07 0.78 -0.47 0.07 0.00 0.00 0.00 176.54 176.99 2jnb h ARG 91 N 0.72 0.00 0.08 4.80 0.11 -1.42 -0.98 114.38 117.69 2jnb h ARG 91 Ca 0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 2jnb h ARG 91 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2jnb h ARG 91 CO 0.07 0.47 -0.04 0.00 0.10 0.00 0.00 179.97 180.58 2jnb h ALA 92 N 1.53 -0.11 0.00 0.08 0.00 -1.28 -3.19 119.26 116.29 2jnb h ALA 92 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2jnb h ALA 92 Cb 1.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jnb h ALA 92 CO 0.06 -0.30 -0.25 0.00 0.00 0.00 0.00 179.25 178.76 2jnb n GLY 94 N -0.28 0.55 3.08 0.00 0.00 -0.93 -4.90 105.19 102.72 2jnb n GLY 94 Ca -0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 2jnb n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jnb s VAL 95 N -2.05 0.82 0.28 1.61 1.01 -0.42 -5.04 120.40 116.63 2jnb s VAL 95 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2jnb s VAL 95 Cb 0.00 -0.76 0.28 0.00 0.00 0.00 0.00 36.38 35.90 2jnb s VAL 95 CO 0.00 -0.04 1.86 0.77 0.00 0.00 0.00 175.10 177.69 2jnb h SER 96 N 5.14 0.95 -2.16 3.32 4.64 -2.00 -3.40 113.55 120.03 2jnb h SER 96 Ca -0.35 0.03 -0.51 0.00 -0.47 0.00 0.00 61.79 60.49 2jnb h SER 96 Cb 1.19 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 2jnb h SER 96 CO 0.45 0.54 -0.54 -0.13 -0.87 0.00 0.00 176.83 176.29 2jnb s ARG 97 N -5.96 2.81 1.22 4.77 0.52 -1.26 -5.01 118.95 116.04 2jnb s ARG 97 Ca -0.12 -1.14 -0.20 0.00 -0.52 0.00 0.00 55.73 53.75 2jnb s ARG 97 Cb 0.21 -2.49 0.30 0.00 0.52 0.00 0.00 34.95 33.49 2jnb s ARG 97 CO 0.81 0.36 1.11 -1.25 0.02 0.00 0.00 175.30 176.35 2jnb s PRO 98 N -3.83 -1.39 -0.03 3.54 0.04 -1.26 -4.64 135.00 127.42 2jnb s PRO 98 Ca 0.33 -0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.26 2jnb s PRO 98 Cb -0.07 -1.58 0.01 0.00 0.04 0.00 0.00 34.50 32.90 2jnb s PRO 98 CO 0.24 -3.81 -0.06 0.08 0.04 0.00 0.00 177.00 173.50 2jnb s VAL 99 N -3.01 0.57 0.09 -0.36 1.01 -1.25 -4.88 120.40 112.57 2jnb s VAL 99 Ca 0.71 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2jnb s VAL 99 Cb -0.09 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.65 2jnb s VAL 99 CO 0.56 0.21 1.46 0.40 0.00 0.00 0.00 175.10 177.73 2jnb h ILE 100 N 5.84 1.29 -2.07 2.22 1.08 -1.95 -3.44 117.51 120.48 2jnb h ILE 100 Ca -0.36 -1.18 0.04 0.00 -0.39 0.00 0.00 64.86 62.97 2jnb h ILE 100 Cb 1.16 1.50 -0.21 0.00 -3.07 0.00 0.00 36.82 36.20 2jnb h ILE 100 CO 0.48 0.37 -0.11 0.00 -0.69 0.00 0.00 178.15 178.20 2jnb s ALA 101 N -4.64 -1.88 0.05 1.87 0.00 -1.26 -0.14 121.76 115.76 2jnb s ALA 101 Ca -0.13 2.26 0.05 0.00 0.00 0.00 0.00 51.96 54.14 2jnb s ALA 101 Cb 0.08 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 2jnb s ALA 101 CO 0.78 -0.73 -0.07 0.00 0.00 0.00 0.00 175.76 175.74 2jnb s SER 103 N -1.79 5.22 -0.06 0.00 0.01 0.61 -0.98 113.70 116.70 2jnb s SER 103 Ca 0.20 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.11 2jnb s SER 103 Cb -0.11 -1.23 0.02 0.00 0.21 0.00 0.00 66.02 64.90 2jnb s SER 103 CO 0.11 -0.02 -0.10 -0.69 0.41 0.00 0.00 173.24 172.96 2jnb s VAL 104 N -2.15 0.95 0.35 3.43 1.01 -0.68 -3.10 120.40 120.21 2jnb s VAL 104 Ca 0.32 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2jnb s VAL 104 Cb -0.08 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2jnb s VAL 104 CO 0.23 0.32 0.25 0.42 0.00 0.00 0.00 175.10 176.32 2jnb s THR 105 N 0.85 3.20 0.24 3.92 -4.23 -1.26 -3.13 115.64 115.23 2jnb s THR 105 Ca -0.12 -1.48 -0.18 0.00 -1.18 0.00 0.00 61.69 58.73 2jnb s THR 105 Cb -0.15 -3.09 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 2jnb s THR 105 CO 0.01 -0.15 0.72 -0.51 -0.54 0.00 0.00 174.62 174.16 2jnb s ILE 106 N -2.38 4.61 -0.08 2.99 1.10 -1.25 -4.92 121.20 121.28 2jnb s ILE 106 Ca 0.41 1.17 -0.05 0.00 -0.51 0.00 0.00 60.65 61.67 2jnb s ILE 106 Cb -0.04 -3.79 -0.04 0.00 0.15 0.00 0.00 42.46 38.74 2jnb s ILE 106 CO 0.25 0.11 0.13 -0.75 -2.11 0.00 0.00 174.94 172.57 2jnb s LYS 107 N -2.23 3.36 0.80 3.50 2.20 -1.26 -5.04 119.74 121.06 2jnb s LYS 107 Ca 0.46 -0.24 -0.15 0.00 -0.36 0.00 0.00 55.97 55.68 2jnb s LYS 107 Cb -0.15 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 2jnb s LYS 107 CO 0.20 0.73 0.57 0.39 -0.36 0.00 0.00 175.35 176.88 2jnb n GLU 108 N 1.65 0.13 -0.94 4.03 1.02 -1.26 -2.33 120.64 122.94 2jnb n GLU 108 Ca -0.17 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2jnb n GLU 108 Cb 0.54 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2jnb n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jnb n GLY 109 N 1.49 0.66 2.60 0.62 0.00 -1.26 -3.29 105.19 106.01 2jnb n GLY 109 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2jnb n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jnb n SER 110 N -0.07 -5.45 -0.03 1.61 2.88 -0.98 -4.84 113.62 106.74 2jnb n SER 110 Ca 0.00 0.48 0.02 0.00 -1.33 0.00 0.00 58.87 58.04 2jnb n SER 110 Cb 0.03 -4.64 0.36 0.00 -0.75 0.00 0.00 64.21 59.22 2jnb n SER 110 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2jnb h GLN 111 N 0.00 0.61 0.00 -1.46 5.75 -1.63 -2.46 115.11 115.92 2jnb h GLN 111 Ca -0.39 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 57.98 2jnb h GLN 111 Cb 1.30 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 2jnb h GLN 111 CO 0.58 0.46 -1.51 1.28 -2.65 0.00 0.00 178.83 176.98 2jnb n LEU 112 N -4.41 0.53 -0.14 -2.39 7.99 -1.26 -4.13 117.00 113.19 2jnb n LEU 112 Ca 0.03 0.22 0.26 0.00 -0.01 0.00 0.00 56.01 56.51 2jnb n LEU 112 Cb 0.10 0.04 0.70 0.00 -0.11 0.00 0.00 43.42 44.15 2jnb n LEU 112 CO 0.36 0.00 1.24 0.50 -1.51 0.00 0.00 177.39 177.99 2jnb h LYS 113 N 0.00 0.03 0.00 3.23 3.64 -1.70 0.27 116.57 122.04 2jnb h LYS 113 Ca -0.08 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2jnb h LYS 113 Cb 1.24 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2jnb h LYS 113 CO 0.01 0.02 -0.14 0.37 -2.27 0.00 0.00 179.45 177.44 2jnb h GLN 114 N 0.03 0.00 0.62 1.90 5.75 -1.71 -2.98 115.11 118.72 2jnb h GLN 114 Ca 0.39 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.86 2jnb h GLN 114 Cb 1.51 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.05 2jnb h GLN 114 CO -0.02 0.75 -0.38 1.96 -2.65 0.00 0.00 178.83 178.49 2jnb h GLN 115 N -1.00 -0.91 -0.62 1.69 1.08 -1.53 -2.37 115.11 111.45 2jnb h GLN 115 Ca -0.03 0.06 0.13 0.00 -1.45 0.00 0.00 58.65 57.36 2jnb h GLN 115 Cb 0.80 0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 28.40 2jnb h GLN 115 CO -0.02 -0.61 0.43 0.82 -0.95 0.00 0.00 178.83 178.50 2jnb h ILE 116 N -0.95 0.81 0.00 2.54 2.04 -0.68 0.10 117.51 121.37 2jnb h ILE 116 Ca -0.08 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2jnb h ILE 116 Cb 0.77 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2jnb h ILE 116 CO 0.08 0.05 -0.01 1.56 0.00 0.00 0.00 178.15 179.83 2jnb h GLN 117 N 0.28 0.00 0.08 2.37 1.08 -1.26 0.21 115.11 117.86 2jnb h GLN 117 Ca 0.30 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2jnb h GLN 117 Cb 0.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2jnb h GLN 117 CO -0.07 0.01 -0.04 1.03 -0.95 0.00 0.00 178.83 178.82 2jnb h SER 118 N 0.00 -0.09 0.91 1.46 0.87 -0.60 -2.25 113.55 113.84 2jnb h SER 118 Ca -0.00 -0.10 -0.19 0.00 -1.23 0.00 0.00 61.79 60.28 2jnb h SER 118 Cb 0.02 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 2jnb h SER 118 CO 0.00 0.04 -0.89 -0.29 -0.53 0.00 0.00 176.83 175.16 2jnb h ILE 119 N -0.22 1.63 -0.51 2.23 2.10 -1.53 -3.29 117.51 117.92 2jnb h ILE 119 Ca -0.01 -3.07 0.04 0.00 1.08 0.00 0.00 64.86 62.89 2jnb h ILE 119 Cb 0.18 2.66 -0.04 0.00 -1.09 0.00 0.00 36.82 38.53 2jnb h ILE 119 CO 0.02 0.88 0.28 -0.61 -1.08 0.00 0.00 178.15 177.63 2jnb h GLN 120 N 0.00 0.54 0.00 2.19 5.75 -0.50 -1.32 115.11 121.77 2jnb h GLN 120 Ca -0.01 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2jnb h GLN 120 Cb 1.59 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 30.02 2jnb h GLN 120 CO 0.12 0.35 -0.12 1.96 -2.65 0.00 0.00 178.83 178.49 2jnb h GLN 121 N 0.55 0.00 -0.07 1.69 7.50 -1.47 -1.88 115.11 121.43 2jnb h GLN 121 Ca 0.22 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.39 2jnb h GLN 121 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.61 2jnb h GLN 121 CO -0.13 0.12 0.05 1.03 -1.50 0.00 0.00 178.83 178.40 2jnb h SER 122 N 0.00 0.00 -0.18 1.46 0.87 -1.31 -2.02 113.55 112.37 2jnb h SER 122 Ca -0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2jnb h SER 122 Cb 0.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jnb h SER 122 CO 0.02 0.00 -0.24 0.40 -0.53 0.00 0.00 176.83 176.48 2jnb h ILE 123 N 0.00 1.34 -0.59 2.23 2.04 -1.32 -3.13 117.51 118.07 2jnb h ILE 123 Ca 0.03 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2jnb h ILE 123 Cb 0.13 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2jnb h ILE 123 CO -0.00 0.44 0.32 -0.08 0.00 0.00 0.00 178.15 178.82 2jnb h GLU 124 N 0.12 0.83 -0.56 2.37 4.81 -1.45 0.15 114.58 120.87 2jnb h GLU 124 Ca 0.02 -0.10 0.14 0.00 -0.13 0.00 0.00 59.36 59.29 2jnb h GLU 124 Cb 0.80 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 2jnb h GLU 124 CO 0.06 0.64 0.39 0.00 -0.73 0.00 0.00 179.01 179.37 2jnb h ARG 125 N 0.81 0.12 0.00 1.92 3.08 -1.41 0.16 114.38 119.06 2jnb h ARG 125 Ca 0.21 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2jnb h ARG 125 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2jnb h ARG 125 CO -0.03 0.08 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.36 2jnb h LEU 126 N 0.12 0.00 0.22 3.04 3.38 -1.32 -3.41 115.31 117.34 2jnb h LEU 126 Ca 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jnb h LEU 126 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2jnb h LEU 126 CO -0.03 0.83 -0.30 -0.07 0.09 0.00 0.00 178.44 178.96 2jnb h LEU 127 N -1.00 -0.85 0.00 1.67 -0.00 -0.58 -3.50 115.31 111.05 2jnb h LEU 127 Ca -0.05 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2jnb h LEU 127 Cb 0.56 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2jnb h LEU 127 CO -0.03 -0.37 0.00 0.52 -0.00 0.00 0.00 178.44 178.56