#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 2.69 -0.41 0.03 0.00 -1.26 -4.82 119.66 115.89 2jmb s GLN 2 Ca 0.00 1.55 0.03 0.00 -0.00 0.00 0.00 55.36 56.95 2jmb s GLN 2 Cb 0.00 -1.92 0.11 0.00 0.00 0.00 0.00 33.01 31.20 2jmb s GLN 2 CO 0.00 -1.37 0.15 -1.01 0.00 0.00 0.00 175.29 173.06 2jmb s HIS 3 N -2.11 3.21 0.92 9.60 3.76 -1.24 -4.96 115.29 124.47 2jmb s HIS 3 Ca 0.71 -2.90 -0.11 0.00 -0.15 0.00 0.00 55.06 52.60 2jmb s HIS 3 Cb -0.24 -2.69 0.10 0.00 1.11 0.00 0.00 32.58 30.86 2jmb s HIS 3 CO 0.40 -0.85 0.86 -2.30 -0.85 0.00 0.00 174.74 172.00 2jmb n PRO 4 N 3.82 -0.35 0.00 8.40 -0.02 -1.26 -4.52 135.00 141.07 2jmb n PRO 4 Ca 0.04 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2jmb n PRO 4 Cb 0.38 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 -3.92 -0.34 -1.74 6.00 4.02 -1.26 -4.96 117.16 114.95 2jmb n TYR 5 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2jmb n TYR 5 Cb 0.52 0.24 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 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 -1.98 -5.79 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.84 2jmb n VAL 6 Ca 0.00 2.50 0.00 0.00 -0.01 0.00 0.00 64.34 66.83 2jmb n VAL 6 Cb 0.00 -3.38 0.00 0.00 -0.91 0.00 0.00 33.84 29.55 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 0.51 4.06 3.40 2.92 0.00 -0.48 -4.87 105.19 110.73 2jmb n GLY 7 Ca 0.00 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.61 4.79 -0.49 -0.61 1.01 -1.26 0.13 121.20 123.15 2jmb s ILE 8 Ca 0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 60.65 59.23 2jmb s ILE 8 Cb 0.00 -4.60 0.03 0.00 0.01 0.00 0.00 42.46 37.90 2jmb s ILE 8 CO 0.00 -1.28 0.90 0.26 0.00 0.00 0.00 174.94 174.82 2jmb s TRP 9 N 2.68 2.89 0.20 3.97 0.52 0.29 0.26 118.94 129.76 2jmb s TRP 9 Ca 0.19 0.18 0.09 0.00 0.02 0.00 0.00 56.10 56.59 2jmb s TRP 9 Cb -0.16 -3.93 -0.04 0.00 -1.15 0.00 0.00 33.47 28.18 2jmb s TRP 9 CO 0.01 -1.16 -0.08 0.08 0.02 0.00 0.00 176.95 175.82 2jmb s VAL 10 N 3.71 3.22 0.70 4.03 1.01 0.75 -0.24 120.40 133.58 2jmb s VAL 10 Ca 0.33 -1.73 -0.12 0.00 0.00 0.00 0.00 61.98 60.46 2jmb s VAL 10 Cb -0.11 -2.62 0.18 0.00 0.00 0.00 0.00 36.38 33.82 2jmb s VAL 10 CO 0.23 -0.17 0.52 0.35 0.00 0.00 0.00 175.10 176.03 2jmb n THR 11 N -0.17 0.00 0.17 3.92 -2.24 -1.14 0.11 114.28 114.94 2jmb n THR 11 Ca -0.10 -0.15 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 2jmb n THR 11 Cb 0.56 -0.86 0.09 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.59 0.79 0.00 6.98 0.00 -1.94 -3.34 119.26 119.15 2jmb h ALA 12 Ca -0.21 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2jmb h ALA 12 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2jmb h ALA 12 CO 0.13 0.06 -1.85 -3.47 0.00 0.00 0.00 179.25 174.13 2jmb n ASP 13 N -2.95 1.51 0.00 0.00 -0.08 -1.26 -5.01 116.55 108.76 2jmb n ASP 13 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2jmb n ASP 13 Cb 0.56 1.23 0.00 0.00 2.34 0.00 0.00 41.12 45.25 2jmb n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jmb n GLY 14 N 1.91 1.02 0.16 0.27 0.00 -1.25 -4.97 105.19 102.32 2jmb n GLY 14 Ca -0.14 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.92 1.61 -0.00 -1.95 -3.46 114.38 106.66 2jmb h ARG 15 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.87 2jmb h ARG 15 Cb 0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 29.91 2jmb h ARG 15 CO 0.00 0.48 -0.52 0.96 -0.00 0.00 0.00 179.97 180.89 2jmb s ILE 16 N -3.45 0.16 -0.01 0.08 -5.25 -1.26 -3.51 121.20 107.97 2jmb s ILE 16 Ca 0.00 -1.31 -0.00 0.00 -0.99 0.00 0.00 60.65 58.35 2jmb s ILE 16 Cb 0.11 -1.19 0.01 0.00 2.95 0.00 0.00 42.46 44.33 2jmb s ILE 16 CO 0.72 -0.72 0.01 -0.60 -1.79 0.00 0.00 174.94 172.56 2jmb s ARG 17 N -3.32 0.00 -0.21 0.37 3.52 -1.17 -2.89 118.95 115.26 2jmb s ARG 17 Ca 0.01 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 2jmb s ARG 17 Cb 0.03 -0.04 0.05 0.00 -1.56 0.00 0.00 34.95 33.43 2jmb s ARG 17 CO -0.08 -0.03 -0.08 -1.14 -0.81 0.00 0.00 175.30 173.16 2jmb s GLN 18 N 0.19 1.80 -0.16 5.12 0.74 0.67 0.45 119.66 128.46 2jmb s GLN 18 Ca -0.02 -0.86 -0.18 0.00 0.05 0.00 0.00 55.36 54.35 2jmb s GLN 18 Cb -0.02 -2.43 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 2jmb s GLN 18 CO -0.01 -0.49 0.50 -2.00 -0.55 0.00 0.00 175.29 172.75 2jmb s GLU 19 N 1.43 4.26 -0.41 1.67 2.12 0.31 0.10 118.70 128.18 2jmb s GLU 19 Ca -0.03 0.44 -0.20 0.00 0.36 0.00 0.00 54.97 55.54 2jmb s GLU 19 Cb -0.17 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.73 2jmb s GLU 19 CO -0.07 -0.02 0.58 -0.51 -0.54 0.00 0.00 175.26 174.70 2jmb s LEU 20 N 1.21 4.50 0.75 2.70 1.43 0.34 0.11 118.68 129.71 2jmb s LEU 20 Ca 0.25 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 2jmb s LEU 20 Cb -0.15 -2.65 0.05 0.00 0.03 0.00 0.00 46.19 43.47 2jmb s LEU 20 CO 0.10 -0.66 1.15 -0.76 0.23 0.00 0.00 176.35 176.41 2jmb s LEU 21 N 2.60 3.21 0.45 1.79 1.02 0.37 -1.39 118.68 126.74 2jmb s LEU 21 Ca 0.20 2.15 0.31 0.00 0.02 0.00 0.00 54.13 56.82 2jmb s LEU 21 Cb -0.15 -4.56 1.54 0.00 0.02 0.00 0.00 46.19 43.04 2jmb s LEU 21 CO 0.16 -2.22 1.94 -0.65 0.02 0.00 0.00 176.35 175.60 2jmb h PRO 22 N -0.63 0.00 -0.77 1.29 0.11 -1.96 -1.86 132.00 128.19 2jmb h PRO 22 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 2jmb h PRO 22 Cb 1.27 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 2jmb h PRO 22 CO 0.50 0.00 0.15 0.27 -0.21 0.00 0.00 178.00 178.71 2jmb n ASN 23 N -2.64 4.42 -2.45 -2.05 6.94 -1.26 -4.89 115.26 113.32 2jmb n ASN 23 Ca -0.01 -2.89 -0.10 0.00 -0.02 0.00 0.00 54.58 51.56 2jmb n ASN 23 Cb 0.13 -0.68 0.05 0.00 -2.36 0.00 0.00 39.78 36.92 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 0.12 -0.10 3.25 4.83 0.00 -0.71 -4.91 105.19 107.68 2jmb n GLY 24 Ca 0.29 -0.05 -0.19 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 -2.75 0.45 -4.05 1.61 5.12 -1.17 -4.41 116.66 111.45 2jmb n ARG 25 Ca -0.14 -3.30 -0.12 0.00 -1.93 0.00 0.00 57.85 52.36 2jmb n ARG 25 Cb 0.59 2.76 -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 -3.31 0.58 -0.22 -1.55 -0.85 -1.22 0.14 117.35 110.91 2jmb s TYR 26 Ca 0.39 -0.52 -0.03 0.00 -0.52 0.00 0.00 57.07 56.38 2jmb s TYR 26 Cb 0.02 -0.35 0.12 0.00 0.38 0.00 0.00 41.96 42.12 2jmb s TYR 26 CO 0.28 -0.11 0.32 -0.51 -1.52 0.00 0.00 175.55 174.01 2jmb s ASP 27 N -1.60 0.59 -0.16 -0.18 1.11 0.29 -2.59 116.67 114.13 2jmb s ASP 27 Ca -0.11 0.12 -0.07 0.00 0.18 0.00 0.00 52.55 52.68 2jmb s ASP 27 Cb -0.09 0.87 -0.04 0.00 1.07 0.00 0.00 42.92 44.73 2jmb s ASP 27 CO -0.00 -0.30 0.07 -0.70 1.18 0.00 0.00 175.17 175.42 2jmb s GLU 28 N 2.47 3.81 -0.29 8.23 2.12 -0.85 0.11 118.70 134.30 2jmb s GLU 28 Ca 0.10 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.15 2jmb s GLU 28 Cb -0.15 -3.18 0.08 0.00 0.26 0.00 0.00 34.13 31.14 2jmb s GLU 28 CO -0.14 0.40 -0.02 0.00 -0.54 0.00 0.00 175.26 174.95 2jmb s ALA 29 N 0.03 2.55 0.04 6.30 0.00 0.17 -2.61 121.76 128.25 2jmb s ALA 29 Ca 0.06 -2.03 -0.05 0.00 0.00 0.00 0.00 51.96 49.95 2jmb s ALA 29 Cb -0.12 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 2jmb s ALA 29 CO 0.01 -1.43 0.27 1.03 0.00 0.00 0.00 175.76 175.63 2jmb s ARG 30 N 1.09 3.55 0.23 0.00 0.52 -1.14 -3.04 118.95 120.16 2jmb s ARG 30 Ca 0.01 -0.16 -0.31 0.00 -0.52 0.00 0.00 55.73 54.75 2jmb s ARG 30 Cb -0.19 -3.03 -0.15 0.00 0.52 0.00 0.00 34.95 32.10 2jmb s ARG 30 CO -0.08 0.61 1.14 0.41 0.02 0.00 0.00 175.30 177.41 2jmb n GLY 31 N 0.77 0.04 2.39 -3.53 0.00 -1.23 -0.48 105.19 103.16 2jmb n GLY 31 Ca -0.09 0.45 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 2jmb n GLY 31 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jmb n ASN 32 N 1.74 -4.95 -2.66 1.61 2.85 -1.26 -4.75 115.26 107.84 2jmb n ASN 32 Ca 0.12 0.24 -0.03 0.00 -0.11 0.00 0.00 54.58 54.81 2jmb n ASN 32 Cb 0.28 -4.29 0.09 0.00 1.24 0.00 0.00 39.78 37.11 2jmb n ASN 32 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2jmb n ARG 33 N -2.57 0.16 -1.27 1.20 3.00 0.37 -5.17 116.66 112.38 2jmb n ARG 33 Ca -0.20 -0.71 -0.29 0.00 -0.00 0.00 0.00 57.85 56.66 2jmb n ARG 33 Cb 0.62 -0.13 0.17 0.00 0.00 0.00 0.00 32.46 33.12 2jmb n ARG 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2jmb s LYS 34 N 0.04 0.56 -0.84 -0.14 0.00 -0.79 -2.86 119.74 115.70 2jmb s LYS 34 Ca 0.17 0.43 0.00 0.00 0.00 0.00 0.00 55.97 56.57 2jmb s LYS 34 Cb 0.25 -1.76 0.00 0.00 0.00 0.00 0.00 37.83 36.33 2jmb s LYS 34 CO -0.17 -2.62 0.00 0.43 0.00 0.00 0.00 175.35 172.99 2jmb n SER 35 N -4.09 -3.31 0.01 0.03 7.64 -1.20 -4.80 113.62 107.90 2jmb n SER 35 Ca 0.05 0.26 -0.10 0.00 1.01 0.00 0.00 58.87 60.09 2jmb n SER 35 Cb 0.58 -2.85 -0.03 0.00 -1.01 0.00 0.00 64.21 60.90 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 1.00 -0.13 -2.52 -0.43 0.00 -1.53 -3.45 119.26 112.19 2jmb h ALA 36 Ca -0.23 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2jmb h ALA 36 Cb 1.17 0.35 -0.18 0.00 0.00 0.00 0.00 17.79 19.13 2jmb h ALA 36 CO 0.28 -0.64 -0.20 0.71 0.00 0.00 0.00 179.25 179.39 2jmb s TYR 37 N -6.12 -0.18 -0.09 0.00 1.51 -1.25 -5.07 117.35 106.14 2jmb s TYR 37 Ca -0.15 0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 2jmb s TYR 37 Cb 0.10 0.14 0.08 0.00 -0.11 0.00 0.00 41.96 42.17 2jmb s TYR 37 CO 0.67 -0.50 0.75 -0.65 -1.11 0.00 0.00 175.55 174.72 2jmb s GLN 38 N -2.19 0.94 0.00 -0.62 -0.21 -1.26 -2.00 119.66 114.33 2jmb s GLN 38 Ca -0.07 0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.62 2jmb s GLN 38 Cb -0.02 0.45 0.00 0.00 1.00 0.00 0.00 33.01 34.44 2jmb s GLN 38 CO -0.01 -0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 2jmb n GLY 39 N 1.06 0.84 3.46 3.09 0.00 -1.07 -4.52 105.19 108.06 2jmb n GLY 39 Ca -0.17 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 3.18 1.30 0.06 1.61 1.70 -1.26 -3.38 118.95 122.16 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 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 2jmb s ARG 40 CO 0.00 -0.53 -0.05 1.52 -1.08 0.00 0.00 175.30 175.16 2jmb s TYR 41 N -3.88 0.63 -0.11 5.89 1.13 -1.26 -2.01 117.35 117.75 2jmb s TYR 41 Ca 0.09 -0.89 0.03 0.00 -1.41 0.00 0.00 57.07 54.90 2jmb s TYR 41 Cb 0.00 -0.41 0.01 0.00 -1.10 0.00 0.00 41.96 40.46 2jmb s TYR 41 CO -0.04 -0.24 -0.20 -2.00 -2.51 0.00 0.00 175.55 170.56 2jmb s GLU 42 N -3.32 2.67 -0.15 -3.49 2.12 -0.91 -3.63 118.70 111.98 2jmb s GLU 42 Ca 0.04 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.56 2jmb s GLU 42 Cb 0.03 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.24 2jmb s GLU 42 CO -0.06 0.04 0.11 0.08 -0.54 0.00 0.00 175.26 174.89 2jmb s VAL 43 N 0.70 5.28 -0.40 3.70 1.01 -1.26 -2.34 120.40 127.08 2jmb s VAL 43 Ca -0.11 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2jmb s VAL 43 Cb -0.16 -3.34 0.16 0.00 0.00 0.00 0.00 36.38 33.04 2jmb s VAL 43 CO 0.02 0.53 0.33 -0.13 0.00 0.00 0.00 175.10 175.86 2jmb s ARG 44 N -0.33 0.81 -0.75 2.72 0.52 0.37 -4.85 118.95 117.45 2jmb s ARG 44 Ca 0.11 -1.81 -0.03 0.00 -0.52 0.00 0.00 55.73 53.48 2jmb s ARG 44 Cb -0.12 -1.28 0.00 0.00 0.52 0.00 0.00 34.95 34.08 2jmb s ARG 44 CO 0.01 -1.33 0.64 0.41 0.02 0.00 0.00 175.30 175.05 2jmb n GLY 45 N 3.20 0.03 2.40 -3.53 0.00 -1.26 -2.72 105.19 103.31 2jmb n GLY 45 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.43 0.00 -2.70 4.61 0.00 -1.26 -4.96 120.51 112.78 2jmb n ALA 46 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 2jmb n ALA 46 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.22 3.43 0.01 0.00 4.02 -1.10 0.40 115.29 119.83 2jmb s HIS 47 Ca 0.00 0.70 -0.02 0.00 1.02 0.00 0.00 55.06 56.75 2jmb s HIS 47 Cb 0.00 -2.50 -0.01 0.00 -1.02 0.00 0.00 32.58 29.04 2jmb s HIS 47 CO 0.00 0.09 0.02 -1.50 1.02 0.00 0.00 174.74 174.37 2jmb s ILE 48 N 0.96 0.10 0.37 0.60 -1.16 -1.05 0.14 121.20 121.16 2jmb s ILE 48 Ca 0.21 -0.80 0.08 0.00 -0.51 0.00 0.00 60.65 59.63 2jmb s ILE 48 Cb -0.14 -0.30 -0.06 0.00 0.61 0.00 0.00 42.46 42.56 2jmb s ILE 48 CO 0.08 -0.44 0.01 0.21 -2.81 0.00 0.00 174.94 171.98 2jmb s ASN 49 N -1.37 4.03 -0.21 4.50 3.84 -0.99 0.14 114.94 124.88 2jmb s ASN 49 Ca -0.15 -1.15 0.01 0.00 0.21 0.00 0.00 52.86 51.78 2jmb s ASN 49 Cb -0.09 -0.45 0.05 0.00 -0.55 0.00 0.00 41.25 40.21 2jmb s ASN 49 CO -0.00 -0.32 -0.08 -0.31 -2.79 0.00 0.00 177.10 173.60 2jmb s TYR 50 N -2.60 2.35 -0.65 0.43 2.02 0.59 -2.14 117.35 117.35 2jmb s TYR 50 Ca 0.35 -1.60 -0.06 0.00 -0.37 0.00 0.00 57.07 55.39 2jmb s TYR 50 Cb 0.04 -1.59 0.17 0.00 -0.40 0.00 0.00 41.96 40.18 2jmb s TYR 50 CO 0.19 -0.74 0.50 -0.46 -1.57 0.00 0.00 175.55 173.47 2jmb s TRP 51 N 1.42 3.50 0.79 2.71 -0.00 -0.85 0.41 118.94 126.91 2jmb s TRP 51 Ca -0.03 -2.45 -0.11 0.00 -0.00 0.00 0.00 56.10 53.51 2jmb s TRP 51 Cb -0.17 -3.38 0.07 0.00 -0.00 0.00 0.00 33.47 29.99 2jmb s TRP 51 CO -0.07 -0.90 1.11 -0.51 -0.00 0.00 0.00 176.95 176.58 2jmb s ASP 52 N 1.27 4.20 0.09 5.86 1.11 0.26 -4.12 116.67 125.34 2jmb s ASP 52 Ca 0.16 1.95 0.26 0.00 0.18 0.00 0.00 52.55 55.09 2jmb s ASP 52 Cb -0.19 -2.54 0.68 0.00 1.07 0.00 0.00 42.92 41.94 2jmb s ASP 52 CO -0.04 -2.24 1.58 0.47 1.18 0.00 0.00 175.17 176.11 2jmb n ASP 53 N -3.52 0.54 -1.54 0.27 8.00 -1.26 -3.72 116.55 115.31 2jmb n ASP 53 Ca 0.10 0.23 -0.06 0.00 0.71 0.00 0.00 54.79 55.77 2jmb n ASP 53 Cb 0.53 -0.19 0.16 0.00 -0.02 0.00 0.00 41.12 41.60 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2jmb n THR 54 N -1.89 1.98 -1.67 -3.53 5.66 -1.26 -4.85 114.28 108.73 2jmb n THR 54 Ca 0.05 -0.98 -0.02 0.00 -3.05 0.00 0.00 64.05 60.05 2jmb n THR 54 Cb 0.39 -0.55 -0.00 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 -0.10 0.38 3.58 1.09 0.00 -1.24 -5.05 105.19 103.85 2jmb n GLY 55 Ca 0.27 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.11 2.47 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.65 2jmb s PHE 56 Ca 0.00 -0.44 -0.26 0.00 0.33 0.00 0.00 56.93 56.55 2jmb s PHE 56 Cb 0.00 -1.39 0.08 0.00 -1.31 0.00 0.00 43.02 40.40 2jmb s PHE 56 CO 0.00 0.55 0.77 0.95 1.83 0.00 0.00 175.22 179.31 2jmb s THR 57 N -2.55 0.00 -0.15 0.12 -4.23 -1.25 -0.58 115.64 107.01 2jmb s THR 57 Ca 0.33 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.78 2jmb s THR 57 Cb 0.00 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.90 2jmb s THR 57 CO 0.18 0.00 0.33 0.00 -0.54 0.00 0.00 174.62 174.59 2jmb s ALA 58 N -0.00 -0.81 0.24 3.99 0.00 0.16 -4.94 121.76 120.41 2jmb s ALA 58 Ca -0.02 1.23 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 2jmb s ALA 58 Cb -0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 2jmb s ALA 58 CO 0.02 -0.42 0.51 0.16 0.00 0.00 0.00 175.76 176.02 2jmb s ASP 59 N 1.81 6.49 0.00 0.00 1.47 -1.26 0.22 116.67 125.40 2jmb s ASP 59 Ca -0.06 0.71 0.00 0.00 1.18 0.00 0.00 52.55 54.38 2jmb s ASP 59 Cb -0.10 -2.14 0.00 0.00 -0.34 0.00 0.00 42.92 40.34 2jmb s ASP 59 CO -0.11 -0.11 0.00 0.61 0.68 0.00 0.00 175.17 176.24 2jmb n GLY 60 N -0.55 3.14 3.64 2.12 0.00 0.37 -3.80 105.19 110.11 2jmb n GLY 60 Ca -0.02 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.55 -0.53 -0.47 1.61 -4.77 0.11 -2.51 116.67 109.55 2jmb s ASP 61 Ca 0.00 0.90 -0.29 0.00 -3.30 0.00 0.00 52.55 49.86 2jmb s ASP 61 Cb 0.00 1.14 0.03 0.00 -1.09 0.00 0.00 42.92 42.99 2jmb s ASP 61 CO 0.00 -0.14 1.16 -0.36 0.70 0.00 0.00 175.17 176.52 2jmb s PHE 62 N 1.07 2.80 -0.43 2.11 0.08 0.16 -1.72 117.98 122.05 2jmb s PHE 62 Ca -0.06 0.73 0.24 0.00 0.12 0.00 0.00 56.93 57.96 2jmb s PHE 62 Cb -0.04 -4.40 0.42 0.00 -0.57 0.00 0.00 43.02 38.43 2jmb s PHE 62 CO -0.13 -1.31 1.64 -0.39 -0.10 0.00 0.00 175.22 174.93 2jmb h VAL 63 N 6.23 0.00 -3.10 -0.44 -1.51 -1.88 -3.46 116.25 112.09 2jmb h VAL 63 Ca -0.23 -0.94 -0.14 0.00 -1.23 0.00 0.00 66.70 64.15 2jmb h VAL 63 Cb 1.06 1.94 -0.03 0.00 -2.13 0.00 0.00 31.29 32.13 2jmb h VAL 63 CO 1.12 0.00 -0.05 -0.24 -1.23 0.00 0.00 177.57 177.17 2jmb n SER 64 N -3.05 -0.87 0.09 4.19 2.88 -1.20 -4.98 113.62 110.68 2jmb n SER 64 Ca 0.04 -2.08 -0.06 0.00 -1.33 0.00 0.00 58.87 55.43 2jmb n SER 64 Cb 0.51 1.59 -0.00 0.00 -0.75 0.00 0.00 64.21 65.56 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 1.81 0.57 -0.00 -1.46 0.00 -2.02 -3.32 119.26 114.85 2jmb h ALA 65 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2jmb h ALA 65 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jmb h ALA 65 CO 0.22 0.98 -0.04 0.09 0.00 0.00 0.00 179.25 180.50 2jmb n ASN 66 N -3.60 1.02 -4.71 0.00 5.03 -1.26 -4.94 115.26 106.81 2jmb n ASN 66 Ca -0.02 -1.01 -0.33 0.00 0.87 0.00 0.00 54.58 54.09 2jmb n ASN 66 Cb 0.80 0.26 -0.08 0.00 -1.02 0.00 0.00 39.78 39.74 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 -0.59 2.87 0.02 3.52 2.12 -1.25 -0.90 118.70 124.49 2jmb s GLU 67 Ca 0.04 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.85 2jmb s GLU 67 Cb 0.03 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 2jmb s GLU 67 CO 0.07 0.64 -0.13 -1.17 -0.54 0.00 0.00 175.26 174.13 2jmb s LEU 68 N -1.53 2.12 -0.24 2.70 1.98 0.28 -3.22 118.68 120.77 2jmb s LEU 68 Ca 0.20 -0.38 0.01 0.00 -2.89 0.00 0.00 54.13 51.06 2jmb s LEU 68 Cb -0.12 -0.59 0.06 0.00 0.66 0.00 0.00 46.19 46.21 2jmb s LEU 68 CO 0.10 0.06 -0.03 -1.00 -1.89 0.00 0.00 176.35 173.59 2jmb s HIS 69 N -0.68 2.33 -0.02 5.38 3.76 -0.70 -0.65 115.29 124.71 2jmb s HIS 69 Ca 0.02 -1.76 -0.01 0.00 -0.15 0.00 0.00 55.06 53.16 2jmb s HIS 69 Cb -0.07 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 32.02 2jmb s HIS 69 CO 0.01 -0.78 0.04 -3.38 -0.85 0.00 0.00 174.74 169.78 2jmb s HIS 70 N 1.41 -0.03 -1.31 1.40 -3.43 -1.07 0.04 115.29 112.31 2jmb s HIS 70 Ca -0.04 0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 2jmb s HIS 70 Cb -0.19 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.91 2jmb s HIS 70 CO -0.07 -0.05 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 2jmb n GLY 71 N 3.41 0.64 1.88 -1.38 0.00 -1.25 0.46 105.19 108.95 2jmb n GLY 71 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.45 0.43 3.77 -0.02 0.00 -1.26 -5.05 105.19 102.61 2jmb n GLY 72 Ca -0.14 -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 -1.74 2.53 -0.31 1.61 1.00 0.17 -5.11 119.30 117.46 2jmb s MET 73 Ca 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 55.69 54.28 2jmb s MET 73 Cb 0.00 -2.31 0.07 0.00 0.00 0.00 0.00 34.83 32.59 2jmb s MET 73 CO 0.00 0.16 0.00 0.99 0.00 0.00 0.00 175.02 176.17 2jmb s THR 74 N -2.35 2.74 -0.20 2.05 2.01 -1.26 -2.58 115.64 116.05 2jmb s THR 74 Ca 0.38 -1.64 -0.04 0.00 0.31 0.00 0.00 61.69 60.69 2jmb s THR 74 Cb -0.04 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 2jmb s THR 74 CO 0.24 -0.21 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.57 2jmb s PHE 75 N 1.16 2.99 -0.10 4.92 0.08 0.17 -3.87 117.98 123.34 2jmb s PHE 75 Ca -0.03 -0.62 -0.05 0.00 0.12 0.00 0.00 56.93 56.35 2jmb s PHE 75 Cb -0.20 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 2jmb s PHE 75 CO -0.03 -0.33 0.12 0.71 -0.10 0.00 0.00 175.22 175.59 2jmb s TYR 76 N 1.10 3.52 0.57 0.36 1.51 0.31 0.98 117.35 125.70 2jmb s TYR 76 Ca 0.02 0.45 -0.20 0.00 -1.01 0.00 0.00 57.07 56.32 2jmb s TYR 76 Cb -0.14 -1.90 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 2jmb s TYR 76 CO 0.01 0.68 1.24 -2.13 -1.11 0.00 0.00 175.55 174.24 2jmb n ARG 77 N 1.85 1.39 0.00 -0.62 3.00 -0.08 -0.18 116.66 122.02 2jmb n ARG 77 Ca -0.18 0.52 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 2jmb n ARG 77 Cb 0.54 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.56 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 -1.11 0.00 -0.62 -0.14 1.02 0.73 -4.75 120.64 115.78 2jmb n GLU 78 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2jmb n GLU 78 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94