#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 1.98 -0.31 2.12 1.11 -1.26 -4.86 119.66 118.44 2jmb s GLN 2 Ca 0.00 -1.07 -0.06 0.00 0.01 0.00 0.00 55.36 54.25 2jmb s GLN 2 Cb 0.00 -2.20 0.03 0.00 -1.01 0.00 0.00 33.01 29.82 2jmb s GLN 2 CO 0.00 0.51 0.07 -1.01 0.01 0.00 0.00 175.29 174.87 2jmb s HIS 3 N -1.10 3.19 0.96 0.91 3.76 -1.25 -5.01 115.29 116.75 2jmb s HIS 3 Ca 0.18 -1.28 -0.11 0.00 -0.15 0.00 0.00 55.06 53.70 2jmb s HIS 3 Cb -0.11 -2.24 0.15 0.00 1.11 0.00 0.00 32.58 31.50 2jmb s HIS 3 CO 0.10 -0.67 1.03 -2.30 -0.85 0.00 0.00 174.74 172.04 2jmb n PRO 4 N 4.81 -0.72 0.00 8.40 -0.02 -1.26 -4.59 135.00 141.62 2jmb n PRO 4 Ca -0.14 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 2jmb n PRO 4 Cb 0.46 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 -4.29 -0.20 -1.82 6.00 4.02 -1.26 -4.96 117.16 114.66 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 0.53 0.16 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 -1.83 -5.66 0.00 -0.72 0.31 -1.25 -5.06 118.33 104.12 2jmb n VAL 6 Ca 0.00 2.60 0.00 0.00 -0.01 0.00 0.00 64.34 66.93 2jmb n VAL 6 Cb 0.00 -3.41 0.00 0.00 -0.91 0.00 0.00 33.84 29.52 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 0.44 3.97 3.40 2.92 0.00 -0.64 -4.88 105.19 110.40 2jmb n GLY 7 Ca 0.00 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.58 4.79 -0.46 -0.61 1.01 -1.26 0.12 121.20 123.21 2jmb s ILE 8 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 60.65 59.25 2jmb s ILE 8 Cb 0.00 -4.59 0.03 0.00 0.01 0.00 0.00 42.46 37.91 2jmb s ILE 8 CO 0.00 -1.26 0.83 0.26 0.00 0.00 0.00 174.94 174.77 2jmb s TRP 9 N 2.67 2.96 0.20 3.97 0.52 0.35 0.25 118.94 129.86 2jmb s TRP 9 Ca 0.19 0.21 0.10 0.00 0.02 0.00 0.00 56.10 56.62 2jmb s TRP 9 Cb -0.17 -3.77 -0.04 0.00 -1.15 0.00 0.00 33.47 28.33 2jmb s TRP 9 CO 0.02 -1.04 -0.16 0.08 0.02 0.00 0.00 176.95 175.87 2jmb s VAL 10 N 3.45 2.78 0.93 4.03 1.01 0.13 0.26 120.40 132.99 2jmb s VAL 10 Ca 0.32 -1.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.25 2jmb s VAL 10 Cb -0.12 -2.37 0.24 0.00 0.00 0.00 0.00 36.38 34.13 2jmb s VAL 10 CO 0.24 -0.15 0.69 0.35 0.00 0.00 0.00 175.10 176.23 2jmb n THR 11 N 0.05 0.00 0.18 3.92 -2.24 -1.12 0.12 114.28 115.19 2jmb n THR 11 Ca -0.11 -0.18 0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2jmb n THR 11 Cb 0.56 -0.94 0.11 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.80 0.84 0.00 6.98 0.00 -1.94 -3.33 119.26 119.00 2jmb h ALA 12 Ca -0.28 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2jmb h ALA 12 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2jmb h ALA 12 CO 0.18 0.03 -1.82 -3.47 0.00 0.00 0.00 179.25 174.16 2jmb n ASP 13 N -2.97 1.38 0.00 0.00 2.03 -1.26 -5.01 116.55 110.72 2jmb n ASP 13 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2jmb n ASP 13 Cb 0.54 1.43 0.00 0.00 -0.72 0.00 0.00 41.12 42.38 2jmb n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jmb n GLY 14 N 1.77 0.83 0.20 0.27 0.00 -1.25 -4.96 105.19 102.04 2jmb n GLY 14 Ca -0.10 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.58 1.61 -0.00 -1.95 -3.45 114.38 107.01 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 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 29.87 2jmb h ARG 15 CO 0.00 0.33 -0.39 0.96 -0.00 0.00 0.00 179.97 180.87 2jmb s ILE 16 N -3.62 0.11 -0.01 0.08 -5.25 -1.26 -3.02 121.20 108.23 2jmb s ILE 16 Ca 0.00 -0.91 0.02 0.00 -0.99 0.00 0.00 60.65 58.76 2jmb s ILE 16 Cb 0.11 -0.95 -0.00 0.00 2.95 0.00 0.00 42.46 44.56 2jmb s ILE 16 CO 0.67 -0.50 -0.05 -0.60 -1.79 0.00 0.00 174.94 172.67 2jmb s ARG 17 N -2.69 0.44 -0.22 0.37 3.52 -0.86 -2.80 118.95 116.72 2jmb s ARG 17 Ca -0.04 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.40 2jmb s ARG 17 Cb -0.00 -0.44 0.05 0.00 -1.56 0.00 0.00 34.95 33.00 2jmb s ARG 17 CO -0.05 0.09 -0.07 -1.14 -0.81 0.00 0.00 175.30 173.32 2jmb s GLN 18 N 0.01 1.76 -0.18 5.12 0.74 0.14 0.12 119.66 127.36 2jmb s GLN 18 Ca 0.00 -0.92 -0.18 0.00 0.05 0.00 0.00 55.36 54.32 2jmb s GLN 18 Cb -0.03 -2.50 -0.04 0.00 1.10 0.00 0.00 33.01 31.54 2jmb s GLN 18 CO -0.00 -0.53 0.47 -2.00 -0.55 0.00 0.00 175.29 172.68 2jmb s GLU 19 N 1.41 4.21 -0.40 1.67 2.12 0.33 0.13 118.70 128.17 2jmb s GLU 19 Ca -0.04 0.36 -0.20 0.00 0.36 0.00 0.00 54.97 55.44 2jmb s GLU 19 Cb -0.18 -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 0.63 -0.51 -0.54 0.00 0.00 175.26 174.72 2jmb s LEU 20 N 1.34 4.40 0.75 2.70 1.43 0.32 0.91 118.68 130.53 2jmb s LEU 20 Ca 0.23 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 2jmb s LEU 20 Cb -0.15 -2.74 0.05 0.00 0.03 0.00 0.00 46.19 43.38 2jmb s LEU 20 CO 0.09 -0.69 1.16 -0.76 0.23 0.00 0.00 176.35 176.38 2jmb s LEU 21 N 2.75 3.23 0.42 1.79 1.02 0.42 -1.62 118.68 126.69 2jmb s LEU 21 Ca 0.23 2.18 0.29 0.00 0.02 0.00 0.00 54.13 56.85 2jmb s LEU 21 Cb -0.14 -4.57 1.45 0.00 0.02 0.00 0.00 46.19 42.94 2jmb s LEU 21 CO 0.17 -2.22 1.89 -0.65 0.02 0.00 0.00 176.35 175.56 2jmb h PRO 22 N -0.57 0.00 -0.78 1.29 0.11 -1.96 -1.90 132.00 128.20 2jmb h PRO 22 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 2jmb h PRO 22 Cb 1.27 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 2jmb h PRO 22 CO 0.50 0.00 0.19 0.27 -0.21 0.00 0.00 178.00 178.75 2jmb n ASN 23 N -2.57 4.45 -2.54 -2.05 6.94 -1.26 -4.89 115.26 113.33 2jmb n ASN 23 Ca -0.01 -2.97 -0.10 0.00 -0.02 0.00 0.00 54.58 51.49 2jmb n ASN 23 Cb 0.13 -0.70 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 0.02 -0.18 3.32 4.83 0.00 -0.72 -4.90 105.19 107.57 2jmb n GLY 24 Ca 0.32 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.82 0.53 -4.06 1.61 5.12 -1.17 -4.45 116.66 111.42 2jmb n ARG 25 Ca -0.13 -3.18 -0.13 0.00 -1.93 0.00 0.00 57.85 52.48 2jmb n ARG 25 Cb 0.59 2.77 -0.11 0.00 -1.16 0.00 0.00 32.46 34.55 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 -3.18 0.67 -0.21 -1.55 -0.85 -1.23 0.16 117.35 111.16 2jmb s TYR 26 Ca 0.36 -0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 56.37 2jmb s TYR 26 Cb 0.01 -0.40 0.10 0.00 0.38 0.00 0.00 41.96 42.05 2jmb s TYR 26 CO 0.26 -0.09 0.28 -0.51 -1.52 0.00 0.00 175.55 173.98 2jmb s ASP 27 N -1.59 0.83 -0.12 -0.18 1.11 0.26 -2.79 116.67 114.19 2jmb s ASP 27 Ca -0.10 0.06 -0.04 0.00 0.18 0.00 0.00 52.55 52.65 2jmb s ASP 27 Cb -0.10 0.69 -0.04 0.00 1.07 0.00 0.00 42.92 44.55 2jmb s ASP 27 CO 0.00 -0.30 0.04 -0.70 1.18 0.00 0.00 175.17 175.39 2jmb s GLU 28 N 2.42 3.31 -0.28 8.23 2.12 -0.92 0.12 118.70 133.70 2jmb s GLU 28 Ca 0.08 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.09 2jmb s GLU 28 Cb -0.15 -2.97 0.08 0.00 0.26 0.00 0.00 34.13 31.35 2jmb s GLU 28 CO -0.13 0.62 -0.01 0.00 -0.54 0.00 0.00 175.26 175.20 2jmb s ALA 29 N -0.62 2.26 -0.46 6.30 0.00 0.32 -2.23 121.76 127.33 2jmb s ALA 29 Ca 0.11 -1.81 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 2jmb s ALA 29 Cb -0.12 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.41 2jmb s ALA 29 CO 0.02 -1.41 0.44 1.03 0.00 0.00 0.00 175.76 175.84 2jmb s ARG 30 N 1.24 3.03 1.81 0.00 0.52 0.80 -2.02 118.95 124.33 2jmb s ARG 30 Ca 0.01 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 2jmb s ARG 30 Cb -0.19 -4.06 0.00 0.00 0.52 0.00 0.00 34.95 31.22 2jmb s ARG 30 CO -0.09 -0.98 0.00 0.41 0.02 0.00 0.00 175.30 174.65 2jmb n GLY 31 N 5.17 1.53 0.44 -3.53 0.00 -1.17 -0.75 105.19 106.88 2jmb n GLY 31 Ca -0.10 -0.40 0.25 0.00 0.00 0.00 0.00 46.02 45.77 2jmb n GLY 31 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jmb h ASN 32 N 3.26 0.00 -3.00 1.61 -0.73 -1.94 -3.32 115.58 111.46 2jmb h ASN 32 Ca 0.00 0.00 -0.72 0.00 1.87 0.00 0.00 56.30 57.45 2jmb h ASN 32 Cb 0.00 0.00 -0.21 0.00 0.27 0.00 0.00 38.32 38.38 2jmb h ASN 32 CO 0.00 0.00 -0.01 -0.60 -0.37 0.00 0.00 177.43 176.45 2jmb s ARG 33 N -4.71 3.03 0.42 6.67 6.06 0.07 -5.05 118.95 125.45 2jmb s ARG 33 Ca -0.04 -1.41 0.08 0.00 -2.50 0.00 0.00 55.73 51.85 2jmb s ARG 33 Cb 0.17 -4.26 -0.00 0.00 0.06 0.00 0.00 34.95 30.92 2jmb s ARG 33 CO 0.61 -1.43 0.50 -1.59 -2.50 0.00 0.00 175.30 170.89 2jmb s LYS 34 N 2.30 2.72 -1.03 5.12 0.00 -1.25 -0.14 119.74 127.46 2jmb s LYS 34 Ca 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 55.97 54.71 2jmb s LYS 34 Cb -0.26 -2.62 0.00 0.00 0.00 0.00 0.00 37.83 34.96 2jmb s LYS 34 CO 0.06 -0.24 0.00 0.43 0.00 0.00 0.00 175.35 175.59 2jmb n SER 35 N -1.74 -3.52 -0.20 0.03 7.64 -0.96 -4.81 113.62 110.07 2jmb n SER 35 Ca 0.06 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2jmb n SER 35 Cb 0.60 -3.07 0.11 0.00 -1.01 0.00 0.00 64.21 60.83 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 0.73 -2.51 -0.43 0.00 -1.66 -3.44 119.26 112.94 2jmb h ALA 36 Ca -0.26 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2jmb h ALA 36 Cb 1.09 0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 2jmb h ALA 36 CO 0.32 -0.27 -0.27 0.71 0.00 0.00 0.00 179.25 179.75 2jmb s TYR 37 N -6.10 -0.18 -0.05 0.00 1.51 -1.25 -5.07 117.35 106.20 2jmb s TYR 37 Ca -0.13 0.25 -0.30 0.00 -1.01 0.00 0.00 57.07 55.88 2jmb s TYR 37 Cb 0.17 0.10 0.07 0.00 -0.11 0.00 0.00 41.96 42.19 2jmb s TYR 37 CO 0.74 -0.40 0.66 -0.65 -1.11 0.00 0.00 175.55 174.79 2jmb s GLN 38 N -1.44 1.03 0.00 -0.62 -0.21 -1.26 -2.17 119.66 114.99 2jmb s GLN 38 Ca -0.13 0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.49 2jmb s GLN 38 Cb -0.05 0.49 0.00 0.00 1.00 0.00 0.00 33.01 34.45 2jmb s GLN 38 CO 0.04 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 2jmb n GLY 39 N 0.95 0.98 3.46 3.09 0.00 -1.12 -4.58 105.19 107.96 2jmb n GLY 39 Ca -0.19 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 3.14 1.29 0.04 1.61 1.70 -1.26 -3.56 118.95 121.91 2jmb s ARG 40 Ca 0.00 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 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 -3.87 0.50 -0.12 5.89 1.13 -1.26 -1.62 117.35 117.99 2jmb s TYR 41 Ca 0.09 -0.73 0.03 0.00 -1.41 0.00 0.00 57.07 55.06 2jmb s TYR 41 Cb 0.00 -0.33 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 2jmb s TYR 41 CO -0.04 -0.22 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.55 2jmb s GLU 42 N -2.48 3.04 -0.17 -3.49 2.12 -0.94 -3.97 118.70 112.81 2jmb s GLU 42 Ca -0.05 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.36 2jmb s GLU 42 Cb -0.03 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 2jmb s GLU 42 CO -0.04 0.08 0.05 0.08 -0.54 0.00 0.00 175.26 174.89 2jmb s VAL 43 N 0.60 4.72 -0.28 3.70 1.01 -1.26 -2.65 120.40 126.23 2jmb s VAL 43 Ca -0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2jmb s VAL 43 Cb -0.17 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.22 2jmb s VAL 43 CO 0.03 0.49 0.20 -0.60 0.00 0.00 0.00 175.10 175.21 2jmb s ARG 44 N 0.18 0.24 -1.36 2.72 3.00 0.30 -4.84 118.95 119.19 2jmb s ARG 44 Ca 0.04 -0.33 -0.07 0.00 -1.00 0.00 0.00 55.73 54.37 2jmb s ARG 44 Cb -0.12 -0.99 0.02 0.00 0.00 0.00 0.00 34.95 33.86 2jmb s ARG 44 CO 0.01 -0.99 1.07 0.41 0.00 0.00 0.00 175.30 175.80 2jmb n GLY 45 N 5.28 -0.48 2.76 8.12 0.00 -1.26 -1.02 105.19 118.58 2jmb n GLY 45 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.72 0.00 -2.69 4.61 0.00 -1.26 -4.96 120.51 111.49 2jmb n ALA 46 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 2jmb n ALA 46 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.18 3.42 0.03 0.00 4.02 -0.19 0.96 115.29 120.35 2jmb s HIS 47 Ca 0.00 0.69 0.02 0.00 1.02 0.00 0.00 55.06 56.79 2jmb s HIS 47 Cb 0.00 -2.51 -0.02 0.00 -1.02 0.00 0.00 32.58 29.03 2jmb s HIS 47 CO 0.00 0.06 -0.07 -1.50 1.02 0.00 0.00 174.74 174.25 2jmb s ILE 48 N 1.05 0.51 0.02 0.60 -1.16 -0.34 0.11 121.20 121.99 2jmb s ILE 48 Ca 0.21 -0.94 0.03 0.00 -0.51 0.00 0.00 60.65 59.44 2jmb s ILE 48 Cb -0.15 -0.56 -0.02 0.00 0.61 0.00 0.00 42.46 42.35 2jmb s ILE 48 CO 0.08 -0.31 -0.10 0.20 -2.81 0.00 0.00 174.94 172.01 2jmb s ASN 49 N -1.35 1.12 -0.35 4.50 0.01 -1.09 0.20 114.94 117.98 2jmb s ASN 49 Ca -0.08 -0.36 -0.12 0.00 -0.71 0.00 0.00 52.86 51.58 2jmb s ASN 49 Cb -0.09 -0.06 -0.01 0.00 0.41 0.00 0.00 41.25 41.50 2jmb s ASN 49 CO 0.00 -0.01 0.23 -0.31 -1.51 0.00 0.00 177.10 175.50 2jmb s TYR 50 N -0.74 3.22 -0.68 2.20 2.02 0.66 -2.20 117.35 121.83 2jmb s TYR 50 Ca -0.01 -0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 2jmb s TYR 50 Cb -0.07 -2.47 0.18 0.00 -0.40 0.00 0.00 41.96 39.20 2jmb s TYR 50 CO 0.00 -0.42 0.53 -0.46 -1.57 0.00 0.00 175.55 173.64 2jmb s TRP 51 N 1.69 3.50 0.78 2.71 -0.00 -0.64 0.56 118.94 127.55 2jmb s TRP 51 Ca 0.05 -2.52 -0.12 0.00 -0.00 0.00 0.00 56.10 53.52 2jmb s TRP 51 Cb -0.18 -3.37 0.07 0.00 -0.00 0.00 0.00 33.47 29.99 2jmb s TRP 51 CO 0.10 -0.88 1.12 -0.51 -0.00 0.00 0.00 176.95 176.77 2jmb s ASP 52 N 1.08 4.21 0.08 5.86 1.11 0.51 -4.11 116.67 125.41 2jmb s ASP 52 Ca 0.17 1.99 0.26 0.00 0.18 0.00 0.00 52.55 55.15 2jmb s ASP 52 Cb -0.18 -2.54 0.69 0.00 1.07 0.00 0.00 42.92 41.96 2jmb s ASP 52 CO -0.05 -2.24 1.58 -0.67 1.18 0.00 0.00 175.17 174.97 2jmb n ASP 53 N -3.41 0.52 -1.51 0.27 -0.08 -1.26 -3.71 116.55 107.37 2jmb n ASP 53 Ca 0.10 0.22 -0.05 0.00 -1.51 0.00 0.00 54.79 53.56 2jmb n ASP 53 Cb 0.52 -0.18 0.17 0.00 2.34 0.00 0.00 41.12 43.98 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2jmb n THR 54 N -1.86 1.94 -1.59 5.18 5.66 -1.26 -4.85 114.28 117.49 2jmb n THR 54 Ca 0.05 -0.96 -0.01 0.00 -3.05 0.00 0.00 64.05 60.08 2jmb n THR 54 Cb 0.39 -0.53 -0.00 0.00 -1.55 0.00 0.00 70.33 68.64 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 3.54 1.09 0.00 -1.24 -5.06 105.19 103.88 2jmb n GLY 55 Ca 0.25 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.06 2.41 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.64 2jmb s PHE 56 Ca 0.00 -0.43 -0.26 0.00 0.33 0.00 0.00 56.93 56.56 2jmb s PHE 56 Cb 0.00 -1.29 0.07 0.00 -1.31 0.00 0.00 43.02 40.49 2jmb s PHE 56 CO 0.00 0.60 0.72 0.95 1.83 0.00 0.00 175.22 179.33 2jmb s THR 57 N -2.55 0.00 -0.06 0.12 -4.23 -1.25 -0.37 115.64 107.30 2jmb s THR 57 Ca 0.32 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 2jmb s THR 57 Cb -0.00 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.87 2jmb s THR 57 CO 0.17 0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.35 2jmb s ALA 58 N 0.02 0.04 0.32 3.99 0.00 0.19 -4.93 121.76 121.41 2jmb s ALA 58 Ca -0.02 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 2jmb s ALA 58 Cb -0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2jmb s ALA 58 CO 0.03 -0.45 0.61 0.16 0.00 0.00 0.00 175.76 176.11 2jmb s ASP 59 N 2.03 6.46 0.08 0.00 -4.77 -1.26 0.24 116.67 119.45 2jmb s ASP 59 Ca 0.02 0.82 -0.04 0.00 -3.30 0.00 0.00 52.55 50.05 2jmb s ASP 59 Cb -0.12 -2.19 0.02 0.00 -1.09 0.00 0.00 42.92 39.54 2jmb s ASP 59 CO -0.04 -0.25 0.23 0.61 0.70 0.00 0.00 175.17 176.41 2jmb n GLY 60 N -1.05 1.47 3.64 2.12 0.00 0.52 -2.82 105.19 109.08 2jmb n GLY 60 Ca -0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.57 -0.53 -0.35 1.61 -4.77 0.13 -1.20 116.67 110.00 2jmb s ASP 61 Ca 0.05 0.89 -0.29 0.00 -3.30 0.00 0.00 52.55 49.90 2jmb s ASP 61 Cb -0.01 1.12 -0.01 0.00 -1.09 0.00 0.00 42.92 42.94 2jmb s ASP 61 CO 0.02 -0.14 1.64 -0.36 0.70 0.00 0.00 175.17 177.03 2jmb s PHE 62 N 1.04 2.05 -0.47 2.11 0.08 0.27 -2.40 117.98 120.66 2jmb s PHE 62 Ca -0.06 0.63 0.24 0.00 0.12 0.00 0.00 56.93 57.86 2jmb s PHE 62 Cb -0.04 -4.19 0.36 0.00 -0.57 0.00 0.00 43.02 38.58 2jmb s PHE 62 CO -0.13 -2.59 1.50 -0.39 -0.10 0.00 0.00 175.22 173.52 2jmb h VAL 63 N 6.64 0.00 -2.00 -0.44 -1.51 -1.87 -3.47 116.25 113.59 2jmb h VAL 63 Ca -0.31 -0.86 -0.00 0.00 -1.23 0.00 0.00 66.70 64.30 2jmb h VAL 63 Cb 1.14 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 2jmb h VAL 63 CO 1.05 0.00 -0.00 -0.24 -1.23 0.00 0.00 177.57 177.15 2jmb n SER 64 N -2.78 -0.00 0.06 4.19 2.88 -1.23 -4.99 113.62 111.75 2jmb n SER 64 Ca 0.03 -1.00 -0.06 0.00 -1.33 0.00 0.00 58.87 56.51 2jmb n SER 64 Cb 0.51 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.38 0.45 0.00 -1.46 0.00 -2.02 -3.35 119.26 114.25 2jmb h ALA 65 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2jmb h ALA 65 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jmb h ALA 65 CO 0.00 1.21 0.00 0.09 0.00 0.00 0.00 179.25 180.55 2jmb n ASN 66 N -3.29 0.92 -4.73 0.00 5.03 -1.26 -4.96 115.26 106.96 2jmb n ASN 66 Ca -0.02 -1.02 -0.31 0.00 0.87 0.00 0.00 54.58 54.11 2jmb n ASN 66 Cb 0.93 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.62 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 -0.02 2.75 0.02 3.52 2.12 -1.26 -0.72 118.70 125.11 2jmb s GLU 67 Ca 0.00 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.62 2jmb s GLU 67 Cb 0.00 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 2jmb s GLU 67 CO 0.00 0.56 -0.09 -1.17 -0.54 0.00 0.00 175.26 174.02 2jmb s LEU 68 N -2.29 2.13 -0.24 2.70 1.98 0.27 -3.53 118.68 119.70 2jmb s LEU 68 Ca 0.27 -0.33 0.01 0.00 -2.89 0.00 0.00 54.13 51.18 2jmb s LEU 68 Cb -0.12 -0.35 0.07 0.00 0.66 0.00 0.00 46.19 46.44 2jmb s LEU 68 CO 0.20 -0.02 -0.03 -1.00 -1.89 0.00 0.00 176.35 173.61 2jmb s HIS 69 N -0.70 2.33 -0.01 5.38 3.76 -1.01 -0.79 115.29 124.26 2jmb s HIS 69 Ca -0.01 -1.77 -0.00 0.00 -0.15 0.00 0.00 55.06 53.12 2jmb s HIS 69 Cb -0.06 -1.64 0.01 0.00 1.11 0.00 0.00 32.58 32.01 2jmb s HIS 69 CO 0.00 -0.78 0.03 -3.38 -0.85 0.00 0.00 174.74 169.76 2jmb s HIS 70 N 1.41 -0.01 -1.36 1.40 -3.43 -1.08 0.21 115.29 112.44 2jmb s HIS 70 Ca -0.03 0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.32 2jmb s HIS 70 Cb -0.19 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 30.88 2jmb s HIS 70 CO -0.08 -0.04 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 2jmb n GLY 71 N 3.52 0.66 1.90 -1.38 0.00 -1.13 0.34 105.19 109.10 2jmb n GLY 71 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.46 0.42 3.77 -0.02 0.00 -1.26 -5.05 105.19 102.58 2jmb n GLY 72 Ca -0.15 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.82 2.50 -0.30 1.61 1.00 0.15 -5.11 119.30 117.34 2jmb s MET 73 Ca 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 55.69 54.25 2jmb s MET 73 Cb 0.00 -2.29 0.07 0.00 0.00 0.00 0.00 34.83 32.61 2jmb s MET 73 CO 0.00 0.12 -0.02 0.99 0.00 0.00 0.00 175.02 176.11 2jmb s THR 74 N -2.38 2.61 -0.18 2.05 2.01 -1.26 -2.64 115.64 115.85 2jmb s THR 74 Ca 0.38 -1.67 -0.04 0.00 0.31 0.00 0.00 61.69 60.68 2jmb s THR 74 Cb -0.04 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 2jmb s THR 74 CO 0.24 -0.20 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.58 2jmb s PHE 75 N 1.14 2.99 0.03 4.92 0.08 0.03 -3.92 117.98 123.26 2jmb s PHE 75 Ca -0.03 -0.54 -0.03 0.00 0.12 0.00 0.00 56.93 56.44 2jmb s PHE 75 Cb -0.20 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 2jmb s PHE 75 CO -0.04 -0.25 0.24 0.71 -0.10 0.00 0.00 175.22 175.78 2jmb s TYR 76 N 0.86 3.54 0.32 0.36 1.51 0.33 0.98 117.35 125.25 2jmb s TYR 76 Ca -0.01 0.42 -0.28 0.00 -1.01 0.00 0.00 57.07 56.20 2jmb s TYR 76 Cb -0.15 -1.88 -0.09 0.00 -0.11 0.00 0.00 41.96 39.73 2jmb s TYR 76 CO 0.02 0.60 1.16 0.50 -1.11 0.00 0.00 175.55 176.72 2jmb s ARG 77 N -2.10 4.42 0.00 -0.62 6.06 0.10 0.17 118.95 126.98 2jmb s ARG 77 Ca 0.31 1.90 0.00 0.00 -2.50 0.00 0.00 55.73 55.44 2jmb s ARG 77 Cb -0.13 -3.02 0.00 0.00 0.06 0.00 0.00 34.95 31.86 2jmb s ARG 77 CO 0.21 -0.02 0.00 0.39 -2.50 0.00 0.00 175.30 173.38 2jmb n GLU 78 N 0.80 -0.25 0.00 5.12 1.02 0.69 -4.85 120.64 123.17 2jmb n GLU 78 Ca 0.01 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2jmb n GLU 78 Cb 0.45 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94