#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 2.48 -0.25 0.03 -2.07 -1.26 -4.94 119.66 113.64 2jmb s GLN 2 Ca 0.00 1.03 0.00 0.00 -1.82 0.00 0.00 55.36 54.57 2jmb s GLN 2 Cb 0.00 -1.93 0.04 0.00 -1.09 0.00 0.00 33.01 30.03 2jmb s GLN 2 CO 0.00 -1.45 -0.09 -1.01 -1.32 0.00 0.00 175.29 171.43 2jmb s HIS 3 N -2.98 3.13 0.94 9.60 3.76 -1.26 -5.00 115.29 123.48 2jmb s HIS 3 Ca 0.60 -1.91 -0.10 0.00 -0.15 0.00 0.00 55.06 53.49 2jmb s HIS 3 Cb -0.16 -2.00 0.16 0.00 1.11 0.00 0.00 32.58 31.70 2jmb s HIS 3 CO 0.56 -0.81 1.13 -2.14 -0.85 0.00 0.00 174.74 172.63 2jmb s PRO 4 N 1.22 0.81 0.00 8.40 0.02 -1.26 -4.61 135.00 139.58 2jmb s PRO 4 Ca -0.03 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.46 2jmb s PRO 4 Cb -0.18 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2jmb s PRO 4 CO -0.05 -2.75 0.00 0.66 -0.33 0.00 0.00 177.00 174.52 2jmb n TYR 5 N -4.31 -0.12 -1.86 6.54 4.02 -1.26 -4.94 117.16 115.22 2jmb n TYR 5 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2jmb n TYR 5 Cb 0.52 0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 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 -1.76 -5.77 0.00 -0.72 0.31 -1.25 -5.06 118.33 104.08 2jmb n VAL 6 Ca 0.00 2.66 0.00 0.00 -0.01 0.00 0.00 64.34 66.99 2jmb n VAL 6 Cb 0.00 -3.48 0.00 0.00 -0.91 0.00 0.00 33.84 29.45 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 0.36 4.07 3.41 2.92 0.00 -0.63 -4.88 105.19 110.44 2jmb n GLY 7 Ca 0.00 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.50 4.75 -0.46 -0.61 1.01 -1.26 0.12 121.20 123.26 2jmb s ILE 8 Ca 0.00 -1.13 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 2jmb s ILE 8 Cb 0.00 -4.61 0.03 0.00 0.01 0.00 0.00 42.46 37.89 2jmb s ILE 8 CO 0.00 -1.29 0.87 0.26 0.00 0.00 0.00 174.94 174.78 2jmb s TRP 9 N 2.77 2.95 0.19 3.97 0.52 0.32 0.29 118.94 129.95 2jmb s TRP 9 Ca 0.20 0.28 0.09 0.00 0.02 0.00 0.00 56.10 56.69 2jmb s TRP 9 Cb -0.16 -3.85 -0.04 0.00 -1.15 0.00 0.00 33.47 28.26 2jmb s TRP 9 CO 0.02 -1.06 -0.11 0.08 0.02 0.00 0.00 176.95 175.89 2jmb s VAL 10 N 3.58 3.07 0.95 4.03 1.01 0.10 -0.05 120.40 133.09 2jmb s VAL 10 Ca 0.34 -1.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.42 2jmb s VAL 10 Cb -0.11 -2.52 0.24 0.00 0.00 0.00 0.00 36.38 33.99 2jmb s VAL 10 CO 0.25 -0.13 0.69 0.35 0.00 0.00 0.00 175.10 176.25 2jmb n THR 11 N 0.01 0.00 0.18 3.92 -2.24 -1.12 0.12 114.28 115.15 2jmb n THR 11 Ca -0.11 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.62 2jmb n THR 11 Cb 0.56 -0.93 0.11 0.00 -2.10 0.00 0.00 70.33 67.97 2jmb n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmb h ALA 12 N -2.83 0.83 0.00 6.98 0.00 -1.94 -3.34 119.26 118.97 2jmb h ALA 12 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 2jmb h ALA 12 Cb 0.91 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2jmb h ALA 12 CO 0.18 0.00 -2.01 -0.25 0.00 0.00 0.00 179.25 177.16 2jmb n ASP 13 N -2.95 1.03 0.00 0.00 9.92 -1.26 -5.01 116.55 118.27 2jmb n ASP 13 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 2jmb n ASP 13 Cb 0.54 1.16 0.00 0.00 -0.64 0.00 0.00 41.12 42.18 2jmb n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jmb n GLY 14 N 1.86 1.17 0.11 0.44 0.00 -1.25 -4.98 105.19 102.53 2jmb n GLY 14 Ca -0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 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 0.07 -4.21 1.61 -0.00 -1.95 -3.46 114.38 106.45 2jmb h ARG 15 Ca 0.00 -0.08 -0.16 0.00 -0.00 0.00 0.00 59.98 59.74 2jmb h ARG 15 Cb 0.15 0.02 -0.18 0.00 -0.00 0.00 0.00 29.97 29.96 2jmb h ARG 15 CO 0.00 0.86 -0.69 0.96 -0.00 0.00 0.00 179.97 181.10 2jmb s ILE 16 N -3.18 0.25 -0.02 0.08 -5.25 -1.26 -3.94 121.20 107.87 2jmb s ILE 16 Ca -0.01 -1.43 0.00 0.00 -0.99 0.00 0.00 60.65 58.22 2jmb s ILE 16 Cb 0.11 -0.99 0.02 0.00 2.95 0.00 0.00 42.46 44.55 2jmb s ILE 16 CO 0.80 -0.75 0.00 -0.60 -1.79 0.00 0.00 174.94 172.60 2jmb s ARG 17 N -2.81 0.22 -0.24 0.37 3.52 -1.14 -2.80 118.95 116.07 2jmb s ARG 17 Ca -0.02 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 2jmb s ARG 17 Cb -0.00 -0.39 0.04 0.00 -1.56 0.00 0.00 34.95 33.03 2jmb s ARG 17 CO -0.05 -0.12 -0.11 -1.14 -0.81 0.00 0.00 175.30 173.07 2jmb s GLN 18 N 0.89 2.59 -0.18 5.12 0.74 0.93 0.63 119.66 130.38 2jmb s GLN 18 Ca -0.09 -1.12 -0.18 0.00 0.05 0.00 0.00 55.36 54.02 2jmb s GLN 18 Cb -0.12 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 2jmb s GLN 18 CO -0.02 -0.44 0.49 -2.00 -0.55 0.00 0.00 175.29 172.77 2jmb s GLU 19 N 1.22 4.22 -0.40 1.67 2.12 0.31 0.12 118.70 127.95 2jmb s GLU 19 Ca -0.03 0.39 -0.21 0.00 0.36 0.00 0.00 54.97 55.48 2jmb s GLU 19 Cb -0.17 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.70 2jmb s GLU 19 CO -0.07 -0.06 0.66 -0.51 -0.54 0.00 0.00 175.26 174.74 2jmb s LEU 20 N 1.35 4.36 0.75 2.70 1.43 0.33 0.84 118.68 130.44 2jmb s LEU 20 Ca 0.24 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 2jmb s LEU 20 Cb -0.15 -2.79 0.05 0.00 0.03 0.00 0.00 46.19 43.33 2jmb s LEU 20 CO 0.09 -0.71 1.15 -0.76 0.23 0.00 0.00 176.35 176.34 2jmb s LEU 21 N 2.84 3.19 0.49 1.79 1.02 0.39 -1.60 118.68 126.81 2jmb s LEU 21 Ca 0.24 2.12 0.33 0.00 0.02 0.00 0.00 54.13 56.85 2jmb s LEU 21 Cb -0.14 -4.56 1.69 0.00 0.02 0.00 0.00 46.19 43.20 2jmb s LEU 21 CO 0.18 -2.20 2.01 -0.65 0.02 0.00 0.00 176.35 175.71 2jmb h PRO 22 N -0.67 0.00 -0.77 1.29 0.11 -1.96 -1.69 132.00 128.31 2jmb h PRO 22 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 2jmb h PRO 22 Cb 1.26 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 2jmb h PRO 22 CO 0.50 0.00 0.16 0.27 -0.21 0.00 0.00 178.00 178.72 2jmb n ASN 23 N -2.74 4.38 -2.54 -2.05 6.94 -1.26 -4.89 115.26 113.10 2jmb n ASN 23 Ca -0.01 -2.90 -0.10 0.00 -0.02 0.00 0.00 54.58 51.55 2jmb n ASN 23 Cb 0.12 -0.68 0.05 0.00 -2.36 0.00 0.00 39.78 36.91 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 0.09 -0.13 3.22 4.83 0.00 -0.64 -4.86 105.19 107.70 2jmb n GLY 24 Ca 0.30 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.89 0.41 -4.05 1.61 5.12 -1.18 -4.36 116.66 111.33 2jmb n ARG 25 Ca -0.15 -3.35 -0.12 0.00 -1.93 0.00 0.00 57.85 52.30 2jmb n ARG 25 Cb 0.60 2.75 -0.11 0.00 -1.16 0.00 0.00 32.46 34.54 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 -3.36 0.60 -0.21 -1.55 -0.85 -1.23 0.15 117.35 110.89 2jmb s TYR 26 Ca 0.40 -0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 56.41 2jmb s TYR 26 Cb 0.02 -0.36 0.11 0.00 0.38 0.00 0.00 41.96 42.10 2jmb s TYR 26 CO 0.28 -0.10 0.30 -0.51 -1.52 0.00 0.00 175.55 174.00 2jmb s ASP 27 N -1.55 0.74 -0.15 -0.18 1.11 0.25 -2.54 116.67 114.34 2jmb s ASP 27 Ca -0.11 0.08 -0.07 0.00 0.18 0.00 0.00 52.55 52.64 2jmb s ASP 27 Cb -0.10 0.76 -0.04 0.00 1.07 0.00 0.00 42.92 44.61 2jmb s ASP 27 CO 0.00 -0.30 0.08 -0.70 1.18 0.00 0.00 175.17 175.43 2jmb s GLU 28 N 2.44 3.69 -0.31 8.23 2.12 -0.81 0.11 118.70 134.16 2jmb s GLU 28 Ca 0.09 -0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.15 2jmb s GLU 28 Cb -0.15 -3.15 0.08 0.00 0.26 0.00 0.00 34.13 31.16 2jmb s GLU 28 CO -0.13 0.48 -0.01 0.00 -0.54 0.00 0.00 175.26 175.06 2jmb s ALA 29 N -0.22 2.78 -0.31 6.30 0.00 0.21 -2.07 121.76 128.45 2jmb s ALA 29 Ca 0.08 -2.13 -0.10 0.00 0.00 0.00 0.00 51.96 49.82 2jmb s ALA 29 Cb -0.12 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 2jmb s ALA 29 CO 0.01 -1.45 0.15 1.03 0.00 0.00 0.00 175.76 175.50 2jmb s ARG 30 N 1.04 3.34 2.43 0.00 0.52 -1.11 -2.89 118.95 122.28 2jmb s ARG 30 Ca 0.01 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 2jmb s ARG 30 Cb -0.20 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.71 2jmb s ARG 30 CO -0.06 -0.41 0.00 0.41 0.02 0.00 0.00 175.30 175.26 2jmb n GLY 31 N 4.98 0.91 0.33 -3.53 0.00 -1.25 -1.95 105.19 104.68 2jmb n GLY 31 Ca -0.14 -0.69 0.19 0.00 0.00 0.00 0.00 46.02 45.38 2jmb n GLY 31 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jmb h ASN 32 N 3.75 0.00 -2.53 1.61 4.21 -1.97 -3.30 115.58 117.34 2jmb h ASN 32 Ca 0.00 0.00 -0.74 0.00 1.21 0.00 0.00 56.30 56.77 2jmb h ASN 32 Cb 0.00 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.00 2jmb h ASN 32 CO 0.00 0.00 1.05 -0.60 -1.29 0.00 0.00 177.43 176.59 2jmb s ARG 33 N -4.29 4.00 0.80 0.81 6.06 -0.82 -5.02 118.95 120.49 2jmb s ARG 33 Ca -0.05 -2.55 -0.12 0.00 -2.50 0.00 0.00 55.73 50.51 2jmb s ARG 33 Cb 0.13 -4.92 0.07 0.00 0.06 0.00 0.00 34.95 30.29 2jmb s ARG 33 CO 0.43 -1.65 1.17 -1.59 -2.50 0.00 0.00 175.30 171.15 2jmb s LYS 34 N 1.20 2.04 -1.09 5.12 0.00 -1.25 -2.73 119.74 123.03 2jmb s LYS 34 Ca 0.38 0.17 0.00 0.00 0.00 0.00 0.00 55.97 56.52 2jmb s LYS 34 Cb -0.05 -1.95 0.00 0.00 0.00 0.00 0.00 37.83 35.83 2jmb s LYS 34 CO -0.03 -1.55 0.00 0.43 0.00 0.00 0.00 175.35 174.19 2jmb n SER 35 N -3.30 -3.89 -0.28 0.03 7.64 -1.05 -4.81 113.62 107.96 2jmb n SER 35 Ca 0.08 0.20 0.08 0.00 1.01 0.00 0.00 58.87 60.24 2jmb n SER 35 Cb 0.60 -3.33 0.23 0.00 -1.01 0.00 0.00 64.21 60.70 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 0.98 1.21 -2.60 -0.43 0.00 -1.52 -3.42 119.26 113.48 2jmb h ALA 36 Ca -0.29 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2jmb h ALA 36 Cb 1.18 0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.82 2jmb h ALA 36 CO 0.35 -0.21 -0.17 0.71 0.00 0.00 0.00 179.25 179.94 2jmb s TYR 37 N -5.97 -0.51 -0.02 0.00 1.51 -1.25 -5.07 117.35 106.03 2jmb s TYR 37 Ca -0.12 1.25 -0.19 0.00 -1.01 0.00 0.00 57.07 57.00 2jmb s TYR 37 Cb 0.22 0.18 0.04 0.00 -0.11 0.00 0.00 41.96 42.28 2jmb s TYR 37 CO 0.77 -0.25 0.41 -0.65 -1.11 0.00 0.00 175.55 174.72 2jmb s GLN 38 N 0.24 0.78 0.00 -0.62 1.11 -1.26 -1.93 119.66 117.97 2jmb s GLN 38 Ca -0.00 -0.08 0.00 0.00 0.01 0.00 0.00 55.36 55.29 2jmb s GLN 38 Cb -0.03 0.35 0.00 0.00 -1.01 0.00 0.00 33.01 32.32 2jmb s GLN 38 CO 0.01 -0.23 0.00 0.41 0.01 0.00 0.00 175.29 175.49 2jmb n GLY 39 N 1.16 1.28 3.46 3.09 0.00 -1.05 -4.60 105.19 108.53 2jmb n GLY 39 Ca -0.21 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 3.25 1.30 0.06 1.61 1.70 -1.26 -3.53 118.95 122.09 2jmb s ARG 40 Ca 0.00 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 2jmb s ARG 40 Cb 0.00 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2jmb s ARG 40 CO 0.00 -0.54 -0.05 1.52 -1.08 0.00 0.00 175.30 175.16 2jmb s TYR 41 N -3.88 0.65 -0.11 5.89 -0.85 -1.26 -1.37 117.35 116.42 2jmb s TYR 41 Ca 0.09 -0.90 0.03 0.00 -0.52 0.00 0.00 57.07 55.77 2jmb s TYR 41 Cb 0.00 -0.42 0.01 0.00 0.38 0.00 0.00 41.96 41.93 2jmb s TYR 41 CO -0.04 -0.24 -0.20 -2.00 -1.52 0.00 0.00 175.55 171.55 2jmb s GLU 42 N -3.38 2.64 -0.21 -3.49 2.12 -0.89 -4.14 118.70 111.35 2jmb s GLU 42 Ca 0.05 -0.73 -0.05 0.00 0.36 0.00 0.00 54.97 54.60 2jmb s GLU 42 Cb 0.03 -2.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.29 2jmb s GLU 42 CO -0.06 0.04 0.01 0.08 -0.54 0.00 0.00 175.26 174.79 2jmb s VAL 43 N 0.68 3.96 -0.72 3.70 1.01 -1.26 -2.67 120.40 125.10 2jmb s VAL 43 Ca -0.12 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2jmb s VAL 43 Cb -0.16 -2.80 0.18 0.00 0.00 0.00 0.00 36.38 33.60 2jmb s VAL 43 CO 0.03 0.42 0.53 -0.13 0.00 0.00 0.00 175.10 175.95 2jmb s ARG 44 N 1.12 2.63 2.42 2.72 1.81 0.11 -4.83 118.95 124.93 2jmb s ARG 44 Ca 0.03 -3.16 0.00 0.00 -1.72 0.00 0.00 55.73 50.88 2jmb s ARG 44 Cb -0.14 -3.58 0.00 0.00 -0.45 0.00 0.00 34.95 30.77 2jmb s ARG 44 CO 0.02 -1.25 0.00 0.41 -0.68 0.00 0.00 175.30 173.80 2jmb n GLY 45 N 2.36 1.80 0.12 -3.53 0.00 -1.26 -2.71 105.19 101.96 2jmb n GLY 45 Ca 0.17 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 2.68 1.92 -2.57 4.61 0.00 -1.26 -5.04 120.51 120.86 2jmb n ALA 46 Ca 0.00 -1.47 -0.33 0.00 0.00 0.00 0.00 53.44 51.63 2jmb n ALA 46 Cb 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.29 2.89 -0.02 0.00 4.02 -1.10 0.15 115.29 119.93 2jmb s HIS 47 Ca 0.11 -0.02 -0.11 0.00 1.02 0.00 0.00 55.06 56.05 2jmb s HIS 47 Cb 0.10 -1.66 0.02 0.00 -1.02 0.00 0.00 32.58 30.01 2jmb s HIS 47 CO 0.01 0.33 0.25 -1.50 1.02 0.00 0.00 174.74 174.84 2jmb s ILE 48 N -0.86 0.06 0.03 0.60 -1.16 -0.60 0.04 121.20 119.31 2jmb s ILE 48 Ca 0.14 -0.46 0.04 0.00 -0.51 0.00 0.00 60.65 59.85 2jmb s ILE 48 Cb -0.11 -0.52 -0.02 0.00 0.61 0.00 0.00 42.46 42.43 2jmb s ILE 48 CO 0.03 -0.25 -0.11 0.20 -2.81 0.00 0.00 174.94 172.00 2jmb s ASN 49 N -1.09 1.30 -0.33 4.50 0.01 -1.09 0.15 114.94 118.39 2jmb s ASN 49 Ca -0.12 -0.39 -0.11 0.00 -0.71 0.00 0.00 52.86 51.54 2jmb s ASN 49 Cb -0.05 -0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.52 2jmb s ASN 49 CO 0.03 0.01 0.20 -0.31 -1.51 0.00 0.00 177.10 175.51 2jmb s TYR 50 N -0.76 3.20 -0.67 2.20 2.02 0.66 -2.10 117.35 121.90 2jmb s TYR 50 Ca -0.00 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.24 2jmb s TYR 50 Cb -0.07 -2.42 0.17 0.00 -0.40 0.00 0.00 41.96 39.25 2jmb s TYR 50 CO 0.01 -0.41 0.52 -0.46 -1.57 0.00 0.00 175.55 173.63 2jmb s TRP 51 N 1.67 3.50 0.75 2.71 -0.00 -0.47 0.57 118.94 127.66 2jmb s TRP 51 Ca 0.05 -2.51 -0.12 0.00 -0.00 0.00 0.00 56.10 53.51 2jmb s TRP 51 Cb -0.17 -3.36 0.05 0.00 -0.00 0.00 0.00 33.47 29.99 2jmb s TRP 51 CO 0.08 -0.88 1.12 -0.51 -0.00 0.00 0.00 176.95 176.76 2jmb s ASP 52 N 1.11 4.44 0.09 5.86 1.11 0.33 -4.06 116.67 125.54 2jmb s ASP 52 Ca 0.17 1.99 0.26 0.00 0.18 0.00 0.00 52.55 55.14 2jmb s ASP 52 Cb -0.18 -2.54 0.68 0.00 1.07 0.00 0.00 42.92 41.94 2jmb s ASP 52 CO -0.05 -2.08 1.57 0.47 1.18 0.00 0.00 175.17 176.26 2jmb n ASP 53 N -3.19 0.53 -1.51 0.27 9.92 -1.26 -3.72 116.55 117.58 2jmb n ASP 53 Ca 0.10 0.22 -0.05 0.00 -0.53 0.00 0.00 54.79 54.53 2jmb n ASP 53 Cb 0.52 -0.17 0.18 0.00 -0.64 0.00 0.00 41.12 41.01 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2jmb n THR 54 N -1.87 1.95 -1.32 -3.53 5.66 -1.26 -4.85 114.28 109.06 2jmb n THR 54 Ca 0.05 -0.97 0.00 0.00 -3.05 0.00 0.00 64.05 60.08 2jmb n THR 54 Cb 0.39 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 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 -0.03 0.39 3.58 1.09 0.00 -1.24 -5.06 105.19 103.92 2jmb n GLY 55 Ca 0.25 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 2.48 -0.24 1.61 2.19 -1.25 -5.01 117.98 115.75 2jmb s PHE 56 Ca 0.00 -0.43 -0.26 0.00 0.33 0.00 0.00 56.93 56.57 2jmb s PHE 56 Cb 0.00 -1.38 0.07 0.00 -1.31 0.00 0.00 43.02 40.40 2jmb s PHE 56 CO 0.00 0.55 0.72 0.95 1.83 0.00 0.00 175.22 179.27 2jmb s THR 57 N -2.54 0.00 -0.04 0.12 -4.23 -1.25 -0.51 115.64 107.19 2jmb s THR 57 Ca 0.33 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 2jmb s THR 57 Cb -0.00 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.87 2jmb s THR 57 CO 0.18 0.00 0.06 0.00 -0.54 0.00 0.00 174.62 174.32 2jmb s ALA 58 N 0.17 0.17 0.22 3.99 0.00 0.19 -4.93 121.76 121.56 2jmb s ALA 58 Ca -0.01 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 2jmb s ALA 58 Cb -0.04 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 2jmb s ALA 58 CO 0.02 -0.43 0.50 0.16 0.00 0.00 0.00 175.76 176.01 2jmb s ASP 59 N 1.99 6.54 0.04 0.00 1.47 -1.26 0.24 116.67 125.68 2jmb s ASP 59 Ca 0.02 0.76 -0.02 0.00 1.18 0.00 0.00 52.55 54.50 2jmb s ASP 59 Cb -0.12 -2.16 0.01 0.00 -0.34 0.00 0.00 42.92 40.30 2jmb s ASP 59 CO -0.03 -0.06 0.08 0.61 0.68 0.00 0.00 175.17 176.45 2jmb n GLY 60 N -0.27 1.80 3.64 2.12 0.00 0.39 -2.31 105.19 110.58 2jmb n GLY 60 Ca -0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.21 -0.54 -0.32 1.61 -4.77 0.30 -1.56 116.67 110.19 2jmb s ASP 61 Ca 0.02 0.89 -0.28 0.00 -3.30 0.00 0.00 52.55 49.87 2jmb s ASP 61 Cb -0.00 1.15 -0.02 0.00 -1.09 0.00 0.00 42.92 42.95 2jmb s ASP 61 CO 0.01 -0.14 1.78 -0.36 0.70 0.00 0.00 175.17 177.15 2jmb s PHE 62 N 1.11 1.84 -0.56 2.11 0.08 0.40 -2.43 117.98 120.53 2jmb s PHE 62 Ca -0.06 0.61 0.24 0.00 0.12 0.00 0.00 56.93 57.84 2jmb s PHE 62 Cb -0.04 -4.13 0.41 0.00 -0.57 0.00 0.00 43.02 38.69 2jmb s PHE 62 CO -0.13 -2.94 1.45 -0.39 -0.10 0.00 0.00 175.22 173.11 2jmb h VAL 63 N 6.76 0.00 -2.93 -0.44 -1.51 -1.84 -3.46 116.25 112.83 2jmb h VAL 63 Ca -0.34 -0.67 -0.11 0.00 -1.23 0.00 0.00 66.70 64.36 2jmb h VAL 63 Cb 1.17 1.42 -0.02 0.00 -2.13 0.00 0.00 31.29 31.72 2jmb h VAL 63 CO 1.03 0.00 -0.01 -0.24 -1.23 0.00 0.00 177.57 177.12 2jmb n SER 64 N -2.43 -0.89 0.13 4.19 2.88 -1.20 -4.97 113.62 111.33 2jmb n SER 64 Ca 0.03 -1.98 0.01 0.00 -1.33 0.00 0.00 58.87 55.60 2jmb n SER 64 Cb 0.47 1.59 0.07 0.00 -0.75 0.00 0.00 64.21 65.59 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 1.83 0.69 0.00 -1.46 0.00 -2.02 -3.33 119.26 114.97 2jmb h ALA 65 Ca -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2jmb h ALA 65 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jmb h ALA 65 CO 0.21 0.74 0.00 0.09 0.00 0.00 0.00 179.25 180.29 2jmb n ASN 66 N -3.36 0.67 -4.71 0.00 5.03 -1.26 -4.94 115.26 106.70 2jmb n ASN 66 Ca 0.01 -0.87 -0.33 0.00 0.87 0.00 0.00 54.58 54.27 2jmb n ASN 66 Cb 0.72 0.21 -0.08 0.00 -1.02 0.00 0.00 39.78 39.61 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 -0.21 2.86 0.02 3.52 2.12 -1.25 -0.86 118.70 124.89 2jmb s GLU 67 Ca 0.00 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.80 2jmb s GLU 67 Cb 0.00 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 2jmb s GLU 67 CO 0.00 0.63 -0.14 -1.17 -0.54 0.00 0.00 175.26 174.04 2jmb s LEU 68 N -1.60 2.12 -0.25 2.70 1.98 0.32 -3.24 118.68 120.70 2jmb s LEU 68 Ca 0.20 -0.38 0.01 0.00 -2.89 0.00 0.00 54.13 51.07 2jmb s LEU 68 Cb -0.12 -0.63 0.07 0.00 0.66 0.00 0.00 46.19 46.17 2jmb s LEU 68 CO 0.11 0.08 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.63 2jmb s HIS 69 N -0.65 2.33 -0.05 5.38 3.76 -1.02 -0.88 115.29 124.16 2jmb s HIS 69 Ca 0.03 -1.80 -0.04 0.00 -0.15 0.00 0.00 55.06 53.10 2jmb s HIS 69 Cb -0.07 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.96 2jmb s HIS 69 CO 0.01 -0.79 0.14 -3.38 -0.85 0.00 0.00 174.74 169.86 2jmb s HIS 70 N 1.41 -0.15 -1.74 1.40 -3.43 -1.12 0.11 115.29 111.76 2jmb s HIS 70 Ca -0.02 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 2jmb s HIS 70 Cb -0.19 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2jmb s HIS 70 CO -0.09 -0.10 0.00 0.41 -2.00 0.00 0.00 174.74 172.97 2jmb n GLY 71 N 3.32 1.05 2.06 -1.38 0.00 -0.98 -0.47 105.19 108.79 2jmb n GLY 71 Ca -0.16 0.00 -0.03 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 -0.49 0.39 3.63 -0.02 0.00 -1.26 -5.05 105.19 102.39 2jmb n GLY 72 Ca -0.18 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.34 2.05 -0.30 1.61 1.00 0.38 -5.12 119.30 115.59 2jmb s MET 73 Ca 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 55.69 53.88 2jmb s MET 73 Cb 0.00 -1.87 0.07 0.00 0.00 0.00 0.00 34.83 33.02 2jmb s MET 73 CO 0.00 0.09 -0.03 0.99 0.00 0.00 0.00 175.02 176.07 2jmb s THR 74 N -2.56 2.49 -0.17 2.05 2.01 -1.26 -2.80 115.64 115.40 2jmb s THR 74 Ca 0.35 -1.72 -0.03 0.00 0.31 0.00 0.00 61.69 60.60 2jmb s THR 74 Cb 0.02 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2jmb s THR 74 CO 0.19 -0.20 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.51 2jmb s PHE 75 N 1.11 2.96 -0.07 4.92 0.08 -0.06 -3.89 117.98 123.03 2jmb s PHE 75 Ca -0.03 -0.55 -0.04 0.00 0.12 0.00 0.00 56.93 56.43 2jmb s PHE 75 Cb -0.20 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 2jmb s PHE 75 CO -0.04 -0.23 0.09 0.71 -0.10 0.00 0.00 175.22 175.64 2jmb s TYR 76 N 0.74 3.39 0.53 0.36 1.51 0.32 0.12 117.35 124.31 2jmb s TYR 76 Ca -0.02 0.34 -0.22 0.00 -1.01 0.00 0.00 57.07 56.16 2jmb s TYR 76 Cb -0.15 -1.84 -0.06 0.00 -0.11 0.00 0.00 41.96 39.81 2jmb s TYR 76 CO 0.02 0.60 1.27 -2.13 -1.11 0.00 0.00 175.55 174.20 2jmb n ARG 77 N 1.77 1.58 0.00 -0.62 3.00 -0.04 0.03 116.66 122.38 2jmb n ARG 77 Ca -0.17 0.58 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 2jmb n ARG 77 Cb 0.54 -2.46 0.00 0.00 0.00 0.00 0.00 32.46 30.54 2jmb n ARG 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2jmb n GLU 78 N -0.82 0.00 -0.63 -0.14 1.02 0.85 -4.74 120.64 116.18 2jmb n GLU 78 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2jmb n GLU 78 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94