#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmb s GLN 2 N 0.00 3.57 -0.49 3.17 -0.21 -1.26 -4.99 119.66 119.45 2jmb s GLN 2 Ca 0.00 0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.43 2jmb s GLN 2 Cb 0.00 -2.54 0.13 0.00 1.00 0.00 0.00 33.01 31.60 2jmb s GLN 2 CO 0.00 0.04 0.23 -1.01 -2.12 0.00 0.00 175.29 172.43 2jmb s HIS 3 N -2.39 3.12 1.04 0.91 3.76 -1.26 -5.07 115.29 115.40 2jmb s HIS 3 Ca 0.45 -3.08 -0.15 0.00 -0.15 0.00 0.00 55.06 52.12 2jmb s HIS 3 Cb -0.10 -2.73 0.08 0.00 1.11 0.00 0.00 32.58 30.94 2jmb s HIS 3 CO 0.37 -0.77 0.26 -2.30 -0.85 0.00 0.00 174.74 171.45 2jmb n PRO 4 N 3.28 -1.00 0.00 8.40 -0.02 -1.26 -4.66 135.00 139.74 2jmb n PRO 4 Ca 0.05 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2jmb n PRO 4 Cb 0.33 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2jmb n PRO 4 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jmb n TYR 5 N -4.06 -0.14 -1.93 6.00 4.02 -1.26 -4.96 117.16 114.83 2jmb n TYR 5 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2jmb n TYR 5 Cb 0.58 0.12 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 2jmb n TYR 5 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2jmb n VAL 6 N -1.73 -6.20 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.67 2jmb n VAL 6 Ca 0.00 2.76 0.00 0.00 -0.01 0.00 0.00 64.34 67.09 2jmb n VAL 6 Cb 0.00 -3.61 0.00 0.00 -0.91 0.00 0.00 33.84 29.32 2jmb n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jmb n GLY 7 N 0.60 3.85 3.39 2.92 0.00 -0.62 -4.88 105.19 110.45 2jmb n GLY 7 Ca 0.00 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 2jmb n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jmb s ILE 8 N -1.66 4.86 -0.50 -0.61 1.01 -1.26 0.14 121.20 123.18 2jmb s ILE 8 Ca 0.00 -1.23 -0.22 0.00 0.00 0.00 0.00 60.65 59.20 2jmb s ILE 8 Cb 0.00 -4.56 0.04 0.00 0.01 0.00 0.00 42.46 37.95 2jmb s ILE 8 CO 0.00 -1.22 0.78 0.26 0.00 0.00 0.00 174.94 174.77 2jmb s TRP 9 N 2.50 2.95 0.20 3.97 0.52 0.31 0.23 118.94 129.60 2jmb s TRP 9 Ca 0.17 -0.09 0.09 0.00 0.02 0.00 0.00 56.10 56.29 2jmb s TRP 9 Cb -0.18 -3.73 -0.04 0.00 -1.15 0.00 0.00 33.47 28.36 2jmb s TRP 9 CO 0.02 -1.11 -0.07 0.08 0.02 0.00 0.00 176.95 175.89 2jmb s VAL 10 N 3.30 3.27 1.30 4.03 1.01 0.70 -0.11 120.40 133.90 2jmb s VAL 10 Ca 0.26 -1.70 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 2jmb s VAL 10 Cb -0.14 -2.65 0.32 0.00 0.00 0.00 0.00 36.38 33.91 2jmb s VAL 10 CO 0.18 -0.17 1.04 0.42 0.00 0.00 0.00 175.10 176.58 2jmb s THR 11 N -1.84 1.42 -0.45 3.92 -4.23 -1.12 0.73 115.64 114.07 2jmb s THR 11 Ca 0.26 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.01 2jmb s THR 11 Cb -0.08 -2.33 0.34 0.00 1.34 0.00 0.00 72.50 71.76 2jmb s THR 11 CO 0.16 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 175.89 2jmb h ALA 12 N -2.95 1.00 0.00 3.99 0.00 -1.94 -3.29 119.26 116.07 2jmb h ALA 12 Ca -0.43 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 2jmb h ALA 12 Cb 1.31 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2jmb h ALA 12 CO 0.30 0.00 -2.03 -0.25 0.00 0.00 0.00 179.25 177.27 2jmb n ASP 13 N -3.00 0.86 0.00 0.00 8.00 -1.26 -5.01 116.55 116.14 2jmb n ASP 13 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2jmb n ASP 13 Cb 0.51 1.26 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 2jmb n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jmb n GLY 14 N 1.78 0.99 0.11 0.44 0.00 -1.24 -4.97 105.19 102.29 2jmb n GLY 14 Ca -0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 2jmb n GLY 14 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jmb h ARG 15 N 0.00 0.00 -4.02 1.61 -0.00 -1.95 -3.46 114.38 106.56 2jmb h ARG 15 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.84 2jmb h ARG 15 Cb 0.22 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 30.01 2jmb h ARG 15 CO 0.00 0.72 -0.64 0.96 -0.00 0.00 0.00 179.97 181.01 2jmb s ILE 16 N -3.10 0.16 -0.02 0.08 -5.25 -1.26 -3.33 121.20 108.47 2jmb s ILE 16 Ca 0.01 -1.29 0.01 0.00 -0.99 0.00 0.00 60.65 58.39 2jmb s ILE 16 Cb 0.10 -0.91 0.02 0.00 2.95 0.00 0.00 42.46 44.62 2jmb s ILE 16 CO 0.77 -0.71 -0.02 -0.60 -1.79 0.00 0.00 174.94 172.59 2jmb s ARG 17 N -2.71 0.41 -0.23 0.37 3.52 -1.10 -2.78 118.95 116.43 2jmb s ARG 17 Ca -0.04 -0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 2jmb s ARG 17 Cb -0.01 -0.49 0.05 0.00 -1.56 0.00 0.00 34.95 32.94 2jmb s ARG 17 CO -0.05 -0.05 -0.12 -1.14 -0.81 0.00 0.00 175.30 173.12 2jmb s GLN 18 N 0.64 2.30 -0.16 5.12 0.74 0.84 0.97 119.66 130.10 2jmb s GLN 18 Ca -0.07 -1.09 -0.16 0.00 0.05 0.00 0.00 55.36 54.09 2jmb s GLN 18 Cb -0.10 -2.69 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 2jmb s GLN 18 CO -0.01 -0.46 0.37 -2.00 -0.55 0.00 0.00 175.29 172.64 2jmb s GLU 19 N 1.23 4.25 -0.38 1.67 2.12 0.29 0.11 118.70 128.00 2jmb s GLU 19 Ca -0.04 0.22 -0.19 0.00 0.36 0.00 0.00 54.97 55.32 2jmb s GLU 19 Cb -0.18 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.76 2jmb s GLU 19 CO -0.08 0.12 0.58 -0.51 -0.54 0.00 0.00 175.26 174.84 2jmb s LEU 20 N 0.79 4.39 0.73 2.70 1.43 0.37 0.81 118.68 129.91 2jmb s LEU 20 Ca 0.20 -0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 2jmb s LEU 20 Cb -0.14 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.45 2jmb s LEU 20 CO 0.07 -0.60 1.14 -0.76 0.23 0.00 0.00 176.35 176.43 2jmb s LEU 21 N 2.58 3.23 0.44 1.79 1.02 0.40 -1.59 118.68 126.55 2jmb s LEU 21 Ca 0.21 2.09 0.30 0.00 0.02 0.00 0.00 54.13 56.75 2jmb s LEU 21 Cb -0.15 -4.56 1.50 0.00 0.02 0.00 0.00 46.19 43.00 2jmb s LEU 21 CO 0.15 -2.06 1.91 -0.65 0.02 0.00 0.00 176.35 175.73 2jmb h PRO 22 N -0.51 0.00 -0.79 1.29 0.11 -1.96 -1.86 132.00 128.27 2jmb h PRO 22 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 2jmb h PRO 22 Cb 1.26 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 2jmb h PRO 22 CO 0.51 0.00 0.22 0.27 -0.21 0.00 0.00 178.00 178.79 2jmb n ASN 23 N -2.61 4.42 -2.59 -2.05 6.94 -1.26 -4.89 115.26 113.21 2jmb n ASN 23 Ca -0.01 -3.01 -0.10 0.00 -0.02 0.00 0.00 54.58 51.44 2jmb n ASN 23 Cb 0.13 -0.71 0.05 0.00 -2.36 0.00 0.00 39.78 36.90 2jmb n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jmb n GLY 24 N -0.04 -0.22 3.35 4.83 0.00 -0.71 -4.90 105.19 107.50 2jmb n GLY 24 Ca 0.34 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 2jmb n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmb n ARG 25 N -2.85 0.54 -4.05 1.61 5.12 -1.18 -4.44 116.66 111.40 2jmb n ARG 25 Ca -0.13 -3.20 -0.13 0.00 -1.93 0.00 0.00 57.85 52.47 2jmb n ARG 25 Cb 0.60 2.79 -0.12 0.00 -1.16 0.00 0.00 32.46 34.57 2jmb n ARG 25 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2jmb s TYR 26 N -3.17 0.58 -0.20 -1.55 -0.85 -1.22 0.15 117.35 111.09 2jmb s TYR 26 Ca 0.37 -0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 56.41 2jmb s TYR 26 Cb 0.01 -0.35 0.10 0.00 0.38 0.00 0.00 41.96 42.09 2jmb s TYR 26 CO 0.26 -0.10 0.28 -0.51 -1.52 0.00 0.00 175.55 173.97 2jmb s ASP 27 N -1.44 0.77 -0.17 -0.18 1.11 0.24 -2.39 116.67 114.62 2jmb s ASP 27 Ca -0.10 0.12 -0.07 0.00 0.18 0.00 0.00 52.55 52.68 2jmb s ASP 27 Cb -0.09 0.70 -0.04 0.00 1.07 0.00 0.00 42.92 44.55 2jmb s ASP 27 CO 0.00 -0.30 0.05 -0.70 1.18 0.00 0.00 175.17 175.41 2jmb s GLU 28 N 2.42 3.83 -0.31 8.23 2.12 -0.77 0.11 118.70 134.33 2jmb s GLU 28 Ca 0.07 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 55.07 2jmb s GLU 28 Cb -0.15 -3.15 0.08 0.00 0.26 0.00 0.00 34.13 31.17 2jmb s GLU 28 CO -0.12 0.35 0.00 0.00 -0.54 0.00 0.00 175.26 174.94 2jmb s ALA 29 N 0.16 2.79 0.09 6.30 0.00 0.27 -2.50 121.76 128.88 2jmb s ALA 29 Ca 0.04 -2.14 -0.01 0.00 0.00 0.00 0.00 51.96 49.85 2jmb s ALA 29 Cb -0.12 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 2jmb s ALA 29 CO 0.01 -1.46 0.27 1.03 0.00 0.00 0.00 175.76 175.61 2jmb s ARG 30 N 1.06 3.49 0.28 0.00 0.52 -1.16 -2.71 118.95 120.42 2jmb s ARG 30 Ca 0.01 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 2jmb s ARG 30 Cb -0.20 -2.97 0.60 0.00 0.52 0.00 0.00 34.95 32.89 2jmb s ARG 30 CO -0.05 0.56 1.78 0.78 0.02 0.00 0.00 175.30 178.39 2jmb h GLY 31 N 2.91 1.57 1.72 -3.53 0.00 -1.94 0.14 103.07 103.94 2jmb h GLY 31 Ca -0.46 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 46.58 2jmb h GLY 31 CO 0.74 0.00 0.12 3.43 0.00 0.00 0.00 176.54 180.84 2jmb h ASN 32 N 0.76 0.10 -0.04 0.19 4.21 -1.95 -3.42 115.58 115.43 2jmb h ASN 32 Ca 0.51 -0.00 0.27 0.00 1.21 0.00 0.00 56.30 58.28 2jmb h ASN 32 Cb 0.68 -0.02 -0.28 0.00 -1.12 0.00 0.00 38.32 37.59 2jmb h ASN 32 CO -0.34 0.07 0.55 -0.60 -1.29 0.00 0.00 177.43 175.82 2jmb s ARG 33 N -5.15 0.01 1.00 0.81 3.52 0.47 -5.15 118.95 114.46 2jmb s ARG 33 Ca -0.06 0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 55.45 2jmb s ARG 33 Cb 0.18 0.02 0.19 0.00 -1.56 0.00 0.00 34.95 33.77 2jmb s ARG 33 CO 0.69 -0.00 1.09 -1.59 -0.81 0.00 0.00 175.30 174.68 2jmb s LYS 34 N 2.06 0.43 -0.78 5.12 0.00 -1.06 -3.00 119.74 122.51 2jmb s LYS 34 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 55.97 56.49 2jmb s LYS 34 Cb -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 37.83 36.09 2jmb s LYS 34 CO -0.16 -2.73 0.00 0.43 0.00 0.00 0.00 175.35 172.89 2jmb n SER 35 N -4.17 -3.05 -0.09 0.03 7.64 -1.18 -4.81 113.62 107.99 2jmb n SER 35 Ca 0.05 0.27 -0.06 0.00 1.01 0.00 0.00 58.87 60.15 2jmb n SER 35 Cb 0.57 -2.66 0.00 0.00 -1.01 0.00 0.00 64.21 61.11 2jmb n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmb h ALA 36 N 1.01 0.23 -2.64 -0.43 0.00 -1.49 -3.44 119.26 112.50 2jmb h ALA 36 Ca -0.21 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2jmb h ALA 36 Cb 1.11 0.24 -0.22 0.00 0.00 0.00 0.00 17.79 18.91 2jmb h ALA 36 CO 0.25 -0.45 -0.24 0.71 0.00 0.00 0.00 179.25 179.52 2jmb s TYR 37 N -6.21 -0.35 -0.04 0.00 1.51 -1.25 -5.07 117.35 105.95 2jmb s TYR 37 Ca -0.14 0.76 -0.23 0.00 -1.01 0.00 0.00 57.07 56.45 2jmb s TYR 37 Cb 0.13 0.14 0.05 0.00 -0.11 0.00 0.00 41.96 42.17 2jmb s TYR 37 CO 0.70 -0.30 0.50 -0.65 -1.11 0.00 0.00 175.55 174.69 2jmb s GLN 38 N -0.45 0.87 0.00 -0.62 1.11 -1.26 -1.84 119.66 117.46 2jmb s GLN 38 Ca -0.06 0.05 0.00 0.00 0.01 0.00 0.00 55.36 55.37 2jmb s GLN 38 Cb -0.04 0.40 0.00 0.00 -1.01 0.00 0.00 33.01 32.36 2jmb s GLN 38 CO 0.02 -0.26 0.00 0.41 0.01 0.00 0.00 175.29 175.48 2jmb n GLY 39 N 1.12 1.00 3.46 3.09 0.00 -1.01 -4.58 105.19 108.27 2jmb n GLY 39 Ca -0.20 0.41 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 2jmb n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jmb s ARG 40 N 3.09 1.30 0.05 1.61 1.70 -1.26 -3.45 118.95 121.99 2jmb s ARG 40 Ca 0.00 -0.89 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 2jmb s ARG 40 Cb 0.00 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2jmb s ARG 40 CO 0.00 -0.53 -0.04 1.52 -1.08 0.00 0.00 175.30 175.16 2jmb s TYR 41 N -3.88 0.55 -0.12 5.89 1.13 -1.26 -1.39 117.35 118.27 2jmb s TYR 41 Ca 0.09 -0.81 0.03 0.00 -1.41 0.00 0.00 57.07 54.98 2jmb s TYR 41 Cb 0.00 -0.36 0.01 0.00 -1.10 0.00 0.00 41.96 40.50 2jmb s TYR 41 CO -0.04 -0.24 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.54 2jmb s GLU 42 N -2.88 3.03 -0.17 -3.49 -6.30 -0.89 -4.43 118.70 103.57 2jmb s GLU 42 Ca -0.01 -0.87 -0.06 0.00 -2.50 0.00 0.00 54.97 51.53 2jmb s GLU 42 Cb -0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 34.13 31.71 2jmb s GLU 42 CO -0.05 0.07 0.04 0.08 0.02 0.00 0.00 175.26 175.42 2jmb s VAL 43 N 0.60 4.58 -0.29 3.70 1.01 -1.26 -2.58 120.40 126.16 2jmb s VAL 43 Ca -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2jmb s VAL 43 Cb -0.17 -3.05 0.11 0.00 0.00 0.00 0.00 36.38 33.28 2jmb s VAL 43 CO 0.03 0.48 0.18 -0.13 0.00 0.00 0.00 175.10 175.65 2jmb s ARG 44 N 0.30 0.23 -1.33 2.72 0.52 0.28 -4.89 118.95 116.78 2jmb s ARG 44 Ca 0.02 -0.43 -0.07 0.00 -0.52 0.00 0.00 55.73 54.73 2jmb s ARG 44 Cb -0.13 -1.02 0.02 0.00 0.52 0.00 0.00 34.95 34.34 2jmb s ARG 44 CO 0.01 -1.03 1.08 0.41 0.02 0.00 0.00 175.30 175.80 2jmb n GLY 45 N 5.25 -0.48 2.76 -3.53 0.00 -1.26 -1.19 105.19 106.75 2jmb n GLY 45 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2jmb n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmb n ALA 46 N -4.70 0.00 -2.68 4.61 0.00 -1.26 -4.96 120.51 111.53 2jmb n ALA 46 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 2jmb n ALA 46 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 2jmb n ALA 46 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2jmb s HIS 47 N -3.19 3.39 0.04 0.00 4.02 -0.33 0.70 115.29 119.92 2jmb s HIS 47 Ca 0.00 0.66 0.03 0.00 1.02 0.00 0.00 55.06 56.77 2jmb s HIS 47 Cb 0.00 -2.54 -0.02 0.00 -1.02 0.00 0.00 32.58 29.00 2jmb s HIS 47 CO 0.00 0.00 -0.09 -1.50 1.02 0.00 0.00 174.74 174.18 2jmb s ILE 48 N 1.26 0.63 0.02 0.60 -1.16 -0.59 0.10 121.20 122.06 2jmb s ILE 48 Ca 0.20 -0.97 0.03 0.00 -0.51 0.00 0.00 60.65 59.40 2jmb s ILE 48 Cb -0.15 -0.65 -0.01 0.00 0.61 0.00 0.00 42.46 42.26 2jmb s ILE 48 CO 0.08 -0.26 -0.10 0.20 -2.81 0.00 0.00 174.94 172.06 2jmb s ASN 49 N -1.35 1.10 -0.35 4.50 -0.87 -1.07 0.20 114.94 117.12 2jmb s ASN 49 Ca -0.06 -0.33 -0.13 0.00 -1.57 0.00 0.00 52.86 50.76 2jmb s ASN 49 Cb -0.09 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.25 41.06 2jmb s ASN 49 CO 0.01 0.00 0.26 -0.31 -2.57 0.00 0.00 177.10 174.49 2jmb s TYR 50 N -0.67 3.23 -0.68 2.20 2.02 0.65 -2.10 117.35 122.00 2jmb s TYR 50 Ca -0.01 -0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 56.41 2jmb s TYR 50 Cb -0.06 -2.52 0.18 0.00 -0.40 0.00 0.00 41.96 39.16 2jmb s TYR 50 CO 0.00 -0.39 0.53 -0.46 -1.57 0.00 0.00 175.55 173.66 2jmb s TRP 51 N 1.76 3.50 0.80 2.71 -0.00 -0.49 0.51 118.94 127.73 2jmb s TRP 51 Ca 0.07 -2.52 -0.11 0.00 -0.00 0.00 0.00 56.10 53.54 2jmb s TRP 51 Cb -0.17 -3.37 0.08 0.00 -0.00 0.00 0.00 33.47 30.00 2jmb s TRP 51 CO 0.11 -0.88 1.12 -0.51 -0.00 0.00 0.00 176.95 176.78 2jmb s ASP 52 N 1.09 4.09 0.08 5.86 1.11 0.34 -4.07 116.67 125.17 2jmb s ASP 52 Ca 0.17 1.98 0.26 0.00 0.18 0.00 0.00 52.55 55.14 2jmb s ASP 52 Cb -0.17 -2.54 0.68 0.00 1.07 0.00 0.00 42.92 41.95 2jmb s ASP 52 CO -0.05 -2.32 1.58 -0.67 1.18 0.00 0.00 175.17 174.89 2jmb n ASP 53 N -3.56 0.52 -1.53 0.27 2.03 -1.26 -3.71 116.55 109.31 2jmb n ASP 53 Ca 0.10 0.22 -0.06 0.00 0.52 0.00 0.00 54.79 55.57 2jmb n ASP 53 Cb 0.52 -0.17 0.16 0.00 -0.72 0.00 0.00 41.12 40.92 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2jmb n THR 54 N -1.87 1.98 -1.72 5.18 5.66 -1.26 -4.85 114.28 117.41 2jmb n THR 54 Ca 0.05 -0.98 -0.03 0.00 -3.05 0.00 0.00 64.05 60.04 2jmb n THR 54 Cb 0.39 -0.55 -0.01 0.00 -1.55 0.00 0.00 70.33 68.62 2jmb n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jmb n GLY 55 N -0.09 0.37 3.56 1.09 0.00 -1.24 -5.05 105.19 103.83 2jmb n GLY 55 Ca 0.26 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2jmb n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jmb s PHE 56 N -2.13 2.43 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.59 2jmb s PHE 56 Ca 0.00 -0.46 -0.27 0.00 0.33 0.00 0.00 56.93 56.53 2jmb s PHE 56 Cb 0.00 -1.36 0.08 0.00 -1.31 0.00 0.00 43.02 40.43 2jmb s PHE 56 CO 0.00 0.58 0.75 0.95 1.83 0.00 0.00 175.22 179.33 2jmb s THR 57 N -2.57 0.00 -0.07 0.12 -4.23 -1.25 -0.51 115.64 107.13 2jmb s THR 57 Ca 0.33 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2jmb s THR 57 Cb 0.01 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.89 2jmb s THR 57 CO 0.17 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.38 2jmb s ALA 58 N -0.05 -0.08 0.35 3.99 0.00 0.18 -4.93 121.76 121.23 2jmb s ALA 58 Ca -0.02 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 52.35 2jmb s ALA 58 Cb -0.04 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2jmb s ALA 58 CO 0.02 -0.48 0.66 0.16 0.00 0.00 0.00 175.76 176.12 2jmb s ASP 59 N 2.07 6.45 0.05 0.00 1.47 -1.26 0.24 116.67 125.69 2jmb s ASP 59 Ca 0.01 0.88 -0.02 0.00 1.18 0.00 0.00 52.55 54.60 2jmb s ASP 59 Cb -0.12 -2.22 0.01 0.00 -0.34 0.00 0.00 42.92 40.25 2jmb s ASP 59 CO -0.05 -0.31 0.12 0.61 0.68 0.00 0.00 175.17 176.22 2jmb n GLY 60 N -1.23 1.66 3.64 2.12 0.00 0.54 -3.06 105.19 108.86 2jmb n GLY 60 Ca -0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 2jmb n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jmb s ASP 61 N -1.31 -0.52 -0.38 1.61 -4.77 0.11 -1.54 116.67 109.87 2jmb s ASP 61 Ca 0.03 0.89 -0.29 0.00 -3.30 0.00 0.00 52.55 49.88 2jmb s ASP 61 Cb -0.01 1.10 0.00 0.00 -1.09 0.00 0.00 42.92 42.93 2jmb s ASP 61 CO 0.01 -0.14 1.52 -0.36 0.70 0.00 0.00 175.17 176.90 2jmb s PHE 62 N 0.96 2.24 -0.50 2.11 0.08 0.22 -2.26 117.98 120.83 2jmb s PHE 62 Ca -0.05 0.66 0.24 0.00 0.12 0.00 0.00 56.93 57.90 2jmb s PHE 62 Cb -0.04 -4.24 0.40 0.00 -0.57 0.00 0.00 43.02 38.57 2jmb s PHE 62 CO -0.12 -2.27 1.52 -0.39 -0.10 0.00 0.00 175.22 173.87 2jmb h VAL 63 N 6.53 0.00 -1.91 -0.44 -1.51 -1.88 -3.47 116.25 113.57 2jmb h VAL 63 Ca -0.29 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2jmb h VAL 63 Cb 1.12 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 2jmb h VAL 63 CO 1.07 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 177.17 2jmb n SER 64 N -2.70 0.00 0.05 4.19 2.88 -1.23 -4.98 113.62 111.82 2jmb n SER 64 Ca 0.04 -0.91 -0.08 0.00 -1.33 0.00 0.00 58.87 56.59 2jmb n SER 64 Cb 0.50 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.83 2jmb n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jmb h ALA 65 N 1.43 0.42 0.00 -1.46 0.00 -2.02 -3.36 119.26 114.27 2jmb h ALA 65 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2jmb h ALA 65 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jmb h ALA 65 CO 0.00 1.30 0.00 0.09 0.00 0.00 0.00 179.25 180.64 2jmb n ASN 66 N -3.30 1.04 -4.72 0.00 5.03 -1.26 -4.97 115.26 107.07 2jmb n ASN 66 Ca -0.03 -1.12 -0.31 0.00 0.87 0.00 0.00 54.58 53.98 2jmb n ASN 66 Cb 0.96 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.65 2jmb n ASN 66 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2jmb s GLU 67 N -0.12 2.78 0.02 3.52 2.12 -1.26 -0.98 118.70 124.77 2jmb s GLU 67 Ca 0.00 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.68 2jmb s GLU 67 Cb 0.00 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.70 2jmb s GLU 67 CO 0.00 0.58 -0.10 -1.17 -0.54 0.00 0.00 175.26 174.04 2jmb s LEU 68 N -2.05 2.12 -0.24 2.70 1.98 0.30 -3.53 118.68 119.97 2jmb s LEU 68 Ca 0.25 -0.34 0.01 0.00 -2.89 0.00 0.00 54.13 51.15 2jmb s LEU 68 Cb -0.12 -0.41 0.06 0.00 0.66 0.00 0.00 46.19 46.38 2jmb s LEU 68 CO 0.17 0.01 -0.03 -1.00 -1.89 0.00 0.00 176.35 173.60 2jmb s HIS 69 N -0.68 2.31 -0.01 5.38 3.76 -0.96 -0.75 115.29 124.34 2jmb s HIS 69 Ca -0.00 -1.74 -0.00 0.00 -0.15 0.00 0.00 55.06 53.16 2jmb s HIS 69 Cb -0.06 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 32.03 2jmb s HIS 69 CO 0.00 -0.78 0.02 -3.38 -0.85 0.00 0.00 174.74 169.76 2jmb s HIS 70 N 1.42 -0.00 -1.34 1.40 -3.43 -1.07 0.08 115.29 112.35 2jmb s HIS 70 Ca -0.04 0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 2jmb s HIS 70 Cb -0.19 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 2jmb s HIS 70 CO -0.07 -0.04 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 2jmb n GLY 71 N 3.54 0.62 1.87 -1.38 0.00 -1.17 0.38 105.19 109.05 2jmb n GLY 71 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jmb n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmb n GLY 72 N -0.47 0.43 3.78 -0.02 0.00 -1.26 -5.05 105.19 102.59 2jmb n GLY 72 Ca -0.15 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2jmb n GLY 72 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jmb s MET 73 N -1.73 2.54 -0.30 1.61 1.00 0.16 -5.11 119.30 117.46 2jmb s MET 73 Ca 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 55.69 54.29 2jmb s MET 73 Cb 0.00 -2.31 0.07 0.00 0.00 0.00 0.00 34.83 32.58 2jmb s MET 73 CO 0.00 0.15 -0.01 0.99 0.00 0.00 0.00 175.02 176.15 2jmb s THR 74 N -2.35 2.62 -0.18 2.05 2.01 -1.26 -2.59 115.64 115.95 2jmb s THR 74 Ca 0.38 -1.68 -0.04 0.00 0.31 0.00 0.00 61.69 60.66 2jmb s THR 74 Cb -0.04 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 2jmb s THR 74 CO 0.24 -0.20 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.57 2jmb s PHE 75 N 1.14 3.01 -0.03 4.92 0.08 0.07 -3.74 117.98 123.42 2jmb s PHE 75 Ca -0.03 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 2jmb s PHE 75 Cb -0.20 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 2jmb s PHE 75 CO -0.04 -0.17 0.05 0.71 -0.10 0.00 0.00 175.22 175.68 2jmb s TYR 76 N 0.69 3.25 0.34 0.36 1.51 0.22 0.11 117.35 123.83 2jmb s TYR 76 Ca -0.02 0.21 -0.28 0.00 -1.01 0.00 0.00 57.07 55.97 2jmb s TYR 76 Cb -0.14 -1.76 -0.10 0.00 -0.11 0.00 0.00 41.96 39.85 2jmb s TYR 76 CO 0.02 0.53 1.26 0.50 -1.11 0.00 0.00 175.55 176.76 2jmb s ARG 77 N -1.45 4.32 0.00 -0.62 6.06 -0.15 -0.21 118.95 126.90 2jmb s ARG 77 Ca 0.19 2.12 0.00 0.00 -2.50 0.00 0.00 55.73 55.54 2jmb s ARG 77 Cb -0.12 -3.02 0.00 0.00 0.06 0.00 0.00 34.95 31.88 2jmb s ARG 77 CO 0.10 -0.18 0.00 -1.91 -2.50 0.00 0.00 175.30 170.81 2jmb n GLU 78 N 0.71 0.00 -0.78 5.12 0.00 0.62 -4.87 120.64 121.44 2jmb n GLU 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 2jmb n GLU 78 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.87 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76