#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 -0.08 -0.17 2.12 -0.21 -1.26 -4.91 119.66 115.15 2jmb s GLN 2 Ca 0.00 1.23 -0.01 0.00 0.02 0.00 0.00 55.36 56.60 2jmb s GLN 2 Cb 0.00 -1.62 0.05 0.00 1.00 0.00 0.00 33.01 32.43 2jmb s GLN 2 CO 0.00 -3.27 -0.03 -1.01 -2.12 0.00 0.00 175.29 168.86 2jmb s HIS 3 N -2.52 1.56 0.97 0.91 3.76 -1.26 -4.99 115.29 113.73 2jmb s HIS 3 Ca 0.68 -1.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.44 2jmb s HIS 3 Cb -0.24 -1.24 0.14 0.00 1.11 0.00 0.00 32.58 32.34 2jmb s HIS 3 CO 0.62 -0.61 0.88 -2.30 -0.85 0.00 0.00 174.74 172.48 2jmb n PRO 4 N 4.91 -0.76 0.00 8.40 -0.02 -1.26 -4.65 135.00 141.61 2jmb n PRO 4 Ca -0.11 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 2jmb n PRO 4 Cb 0.47 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 -4.21 -0.25 -1.90 6.00 4.02 -1.26 -4.95 117.16 114.62 2jmb n TYR 5 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2jmb n TYR 5 Cb 0.53 0.18 0.00 0.00 -0.02 0.00 0.00 39.34 40.03 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 -1.85 -6.83 0.00 -0.72 0.31 -1.25 -5.06 118.33 102.92 2jmb n VAL 6 Ca 0.00 2.77 0.00 0.00 -0.01 0.00 0.00 64.34 67.10 2jmb n VAL 6 Cb 0.00 -3.75 0.00 0.00 -0.91 0.00 0.00 33.84 29.18 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 0.70 3.86 3.40 2.92 0.00 -0.51 -4.87 105.19 110.69 2jmb n GLY 7 Ca 0.00 -0.57 -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 -1.72 4.71 -0.53 -0.61 1.01 -1.26 0.15 121.20 122.95 2jmb s ILE 8 Ca 0.00 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 2jmb s ILE 8 Cb 0.00 -4.56 0.05 0.00 0.01 0.00 0.00 42.46 37.96 2jmb s ILE 8 CO 0.00 -1.24 0.74 0.26 0.00 0.00 0.00 174.94 174.70 2jmb s TRP 9 N 2.95 2.95 0.18 3.97 0.52 0.29 0.26 118.94 130.06 2jmb s TRP 9 Ca 0.16 -0.37 0.07 0.00 0.02 0.00 0.00 56.10 55.98 2jmb s TRP 9 Cb -0.20 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.33 2jmb s TRP 9 CO 0.05 -1.16 0.03 0.08 0.02 0.00 0.00 176.95 175.97 2jmb s VAL 10 N 3.12 3.85 1.27 4.03 1.01 0.77 -0.49 120.40 133.96 2jmb s VAL 10 Ca 0.20 -1.39 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 2jmb s VAL 10 Cb -0.17 -2.95 0.31 0.00 0.00 0.00 0.00 36.38 33.57 2jmb s VAL 10 CO 0.14 -0.13 1.07 0.42 0.00 0.00 0.00 175.10 176.60 2jmb s THR 11 N -1.77 1.47 -0.37 3.92 -4.23 -1.11 0.11 115.64 113.66 2jmb s THR 11 Ca 0.28 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.03 2jmb s THR 11 Cb -0.09 -2.39 0.33 0.00 1.34 0.00 0.00 72.50 71.69 2jmb s THR 11 CO 0.20 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 175.92 2jmb h ALA 12 N -2.85 0.98 0.00 3.99 0.00 -1.92 -3.29 119.26 116.18 2jmb h ALA 12 Ca -0.44 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2jmb h ALA 12 Cb 1.30 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2jmb h ALA 12 CO 0.31 0.03 -1.97 -3.47 0.00 0.00 0.00 179.25 174.15 2jmb n ASP 13 N -3.11 0.91 0.00 0.00 2.03 -1.26 -5.01 116.55 110.11 2jmb n ASP 13 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2jmb n ASP 13 Cb 0.52 1.40 0.00 0.00 -0.72 0.00 0.00 41.12 42.32 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 1.71 0.87 0.14 0.27 0.00 -1.24 -4.97 105.19 101.98 2jmb n GLY 14 Ca -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.46 114.38 106.57 2jmb h ARG 15 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.85 2jmb h ARG 15 Cb 0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 29.97 2jmb h ARG 15 CO 0.00 0.60 -0.62 0.96 -0.00 0.00 0.00 179.97 180.91 2jmb s ILE 16 N -3.28 0.16 -0.04 0.08 -5.25 -1.26 -3.86 121.20 107.75 2jmb s ILE 16 Ca 0.01 -1.33 -0.00 0.00 -0.99 0.00 0.00 60.65 58.33 2jmb s ILE 16 Cb 0.10 -1.00 0.03 0.00 2.95 0.00 0.00 42.46 44.54 2jmb s ILE 16 CO 0.75 -0.73 0.02 -0.60 -1.79 0.00 0.00 174.94 172.58 2jmb s ARG 17 N -2.89 0.21 -0.25 0.37 3.52 -1.09 -2.75 118.95 116.08 2jmb s ARG 17 Ca -0.03 0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2jmb s ARG 17 Cb 0.01 -0.53 0.03 0.00 -1.56 0.00 0.00 34.95 32.90 2jmb s ARG 17 CO -0.06 -0.21 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.02 2jmb s GLN 18 N 1.43 2.74 -0.18 5.12 0.74 0.35 0.74 119.66 130.61 2jmb s GLN 18 Ca -0.04 -1.04 -0.16 0.00 0.05 0.00 0.00 55.36 54.17 2jmb s GLN 18 Cb -0.13 -2.98 -0.04 0.00 1.10 0.00 0.00 33.01 30.96 2jmb s GLN 18 CO -0.03 -0.43 0.39 -2.00 -0.55 0.00 0.00 175.29 172.67 2jmb s GLU 19 N 1.30 4.22 -0.39 1.67 2.12 0.31 0.11 118.70 128.03 2jmb s GLU 19 Ca -0.01 0.22 -0.21 0.00 0.36 0.00 0.00 54.97 55.33 2jmb s GLU 19 Cb -0.17 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2jmb s GLU 19 CO -0.04 0.06 0.66 -0.51 -0.54 0.00 0.00 175.26 174.89 2jmb s LEU 20 N 1.01 4.32 0.75 2.70 1.43 0.39 0.45 118.68 129.72 2jmb s LEU 20 Ca 0.20 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 2jmb s LEU 20 Cb -0.14 -2.80 0.05 0.00 0.03 0.00 0.00 46.19 43.32 2jmb s LEU 20 CO 0.07 -0.69 1.12 -0.76 0.23 0.00 0.00 176.35 176.32 2jmb s LEU 21 N 2.83 3.16 0.21 1.79 1.02 0.38 -1.42 118.68 126.66 2jmb s LEU 21 Ca 0.25 2.01 0.18 0.00 0.02 0.00 0.00 54.13 56.58 2jmb s LEU 21 Cb -0.14 -4.55 0.85 0.00 0.02 0.00 0.00 46.19 42.38 2jmb s LEU 21 CO 0.17 -2.10 1.55 -2.65 0.02 0.00 0.00 176.35 173.34 2jmb n PRO 22 N -3.17 0.12 -0.61 1.29 -0.02 -1.26 -1.40 135.00 129.95 2jmb n PRO 22 Ca 0.10 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 62.14 2jmb n PRO 22 Cb 0.52 -1.80 0.28 0.00 -0.02 0.00 0.00 33.50 32.48 2jmb n PRO 22 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2jmb n ASN 23 N -2.04 4.24 -3.01 2.55 5.15 -1.26 -4.88 115.26 116.00 2jmb n ASN 23 Ca 0.00 -2.63 -0.14 0.00 -0.60 0.00 0.00 54.58 51.21 2jmb n ASN 23 Cb 0.11 -0.63 0.07 0.00 -0.53 0.00 0.00 39.78 38.80 2jmb n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jmb n GLY 24 N 0.43 -0.24 3.26 8.20 0.00 -0.49 -4.89 105.19 111.47 2jmb n GLY 24 Ca 0.19 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.58 0.42 -4.07 1.61 5.12 -1.17 -4.47 116.66 110.53 2jmb n ARG 25 Ca -0.24 -3.39 -0.13 0.00 -1.93 0.00 0.00 57.85 52.17 2jmb n ARG 25 Cb 0.64 2.76 -0.12 0.00 -1.16 0.00 0.00 32.46 34.59 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 -3.37 0.67 -0.16 -1.55 -0.85 -1.23 0.15 117.35 111.00 2jmb s TYR 26 Ca 0.40 -0.48 -0.04 0.00 -0.52 0.00 0.00 57.07 56.43 2jmb s TYR 26 Cb 0.02 -0.40 0.08 0.00 0.38 0.00 0.00 41.96 42.04 2jmb s TYR 26 CO 0.28 -0.08 0.23 -0.51 -1.52 0.00 0.00 175.55 173.96 2jmb s ASP 27 N -1.53 0.91 -0.15 -0.18 1.11 0.17 -2.48 116.67 114.52 2jmb s ASP 27 Ca -0.09 0.14 -0.05 0.00 0.18 0.00 0.00 52.55 52.72 2jmb s ASP 27 Cb -0.10 0.50 -0.04 0.00 1.07 0.00 0.00 42.92 44.36 2jmb s ASP 27 CO 0.00 -0.29 0.03 -0.70 1.18 0.00 0.00 175.17 175.39 2jmb s GLU 28 N 2.36 3.69 -0.35 8.23 2.12 -0.56 0.11 118.70 134.30 2jmb s GLU 28 Ca 0.05 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 2jmb s GLU 28 Cb -0.14 -3.05 0.08 0.00 0.26 0.00 0.00 34.13 31.28 2jmb s GLU 28 CO -0.10 0.37 0.10 0.00 -0.54 0.00 0.00 175.26 175.09 2jmb s ALA 29 N 0.07 2.99 -0.17 6.30 0.00 0.23 -1.25 121.76 129.93 2jmb s ALA 29 Ca 0.03 -2.13 -0.04 0.00 0.00 0.00 0.00 51.96 49.82 2jmb s ALA 29 Cb -0.13 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 2jmb s ALA 29 CO 0.01 -1.53 -0.02 1.03 0.00 0.00 0.00 175.76 175.26 2jmb s ARG 30 N 1.21 3.69 3.60 0.00 0.52 -0.89 -2.65 118.95 124.42 2jmb s ARG 30 Ca 0.02 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 2jmb s ARG 30 Cb -0.21 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.27 2jmb s ARG 30 CO -0.02 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.88 2jmb n GLY 31 N 3.74 1.27 0.24 -3.53 0.00 -1.25 -2.37 105.19 103.28 2jmb n GLY 31 Ca -0.17 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 7.66 0.00 -3.54 1.61 -0.00 -1.97 -3.40 115.58 115.94 2jmb h ASN 32 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 56.30 55.66 2jmb h ASN 32 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 38.18 2jmb h ASN 32 CO 0.00 0.20 0.27 -0.60 -0.00 0.00 0.00 177.43 177.30 2jmb s ARG 33 N -4.01 3.33 0.58 6.67 3.52 -1.00 -5.05 118.95 122.99 2jmb s ARG 33 Ca -0.02 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.30 2jmb s ARG 33 Cb 0.12 -3.97 0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2jmb s ARG 33 CO 0.63 -1.13 0.83 -1.59 -0.81 0.00 0.00 175.30 173.22 2jmb s LYS 34 N 3.14 2.50 -0.67 5.12 0.00 -1.26 -2.09 119.74 126.48 2jmb s LYS 34 Ca 0.26 -0.63 0.00 0.00 0.00 0.00 0.00 55.97 55.60 2jmb s LYS 34 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 37.83 35.28 2jmb s LYS 34 CO 0.20 -0.81 0.00 0.43 0.00 0.00 0.00 175.35 175.18 2jmb n SER 35 N -2.46 -2.83 -0.28 0.03 7.64 -0.88 -4.76 113.62 110.08 2jmb n SER 35 Ca 0.08 0.31 0.22 0.00 1.01 0.00 0.00 58.87 60.48 2jmb n SER 35 Cb 0.60 -2.46 0.54 0.00 -1.01 0.00 0.00 64.21 61.87 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 2.31 -2.64 -0.43 0.00 -1.34 -3.41 119.26 114.75 2jmb h ALA 36 Ca -0.18 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2jmb h ALA 36 Cb 1.14 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.70 2jmb h ALA 36 CO 0.22 -0.65 -0.19 0.71 0.00 0.00 0.00 179.25 179.35 2jmb s TYR 37 N -5.40 -0.49 -0.02 0.00 1.51 -1.24 -5.05 117.35 106.66 2jmb s TYR 37 Ca -0.08 1.20 -0.18 0.00 -1.01 0.00 0.00 57.07 57.01 2jmb s TYR 37 Cb 0.24 0.17 0.03 0.00 -0.11 0.00 0.00 41.96 42.29 2jmb s TYR 37 CO 0.79 -0.24 0.38 -0.65 -1.11 0.00 0.00 175.55 174.72 2jmb s GLN 38 N 0.22 0.73 0.00 -0.62 1.11 -1.26 -1.49 119.66 118.35 2jmb s GLN 38 Ca -0.00 -0.10 0.00 0.00 0.01 0.00 0.00 55.36 55.27 2jmb s GLN 38 Cb -0.03 0.33 0.00 0.00 -1.01 0.00 0.00 33.01 32.30 2jmb s GLN 38 CO 0.01 -0.21 0.00 0.41 0.01 0.00 0.00 175.29 175.51 2jmb n GLY 39 N 1.25 1.42 3.46 3.09 0.00 -1.04 -4.56 105.19 108.81 2jmb n GLY 39 Ca -0.21 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 3.39 1.29 0.05 1.61 3.03 -1.26 -3.49 118.95 123.57 2jmb s ARG 40 Ca 0.00 -0.89 0.00 0.00 2.03 0.00 0.00 55.73 56.88 2jmb s ARG 40 Cb 0.00 0.49 -0.03 0.00 -1.03 0.00 0.00 34.95 34.38 2jmb s ARG 40 CO 0.00 -0.53 -0.05 1.52 -1.13 0.00 0.00 175.30 175.11 2jmb s TYR 41 N -3.88 0.55 -0.12 5.89 1.13 -1.26 -1.49 117.35 118.17 2jmb s TYR 41 Ca 0.09 -0.77 0.03 0.00 -1.41 0.00 0.00 57.07 55.02 2jmb s TYR 41 Cb 0.00 -0.36 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 2jmb s TYR 41 CO -0.04 -0.22 -0.22 -2.00 -2.51 0.00 0.00 175.55 170.56 2jmb s GLU 42 N -2.72 3.05 -0.20 -3.49 2.12 -0.97 -4.06 118.70 112.44 2jmb s GLU 42 Ca -0.02 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.38 2jmb s GLU 42 Cb -0.01 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 2jmb s GLU 42 CO -0.04 0.07 0.06 0.08 -0.54 0.00 0.00 175.26 174.90 2jmb s VAL 43 N 0.60 4.65 -0.36 3.70 1.01 -1.26 -2.81 120.40 125.93 2jmb s VAL 43 Ca -0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 2jmb s VAL 43 Cb -0.17 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.23 2jmb s VAL 43 CO 0.03 0.42 0.20 -0.60 0.00 0.00 0.00 175.10 175.15 2jmb s ARG 44 N 0.71 0.66 -1.10 2.72 3.52 0.32 -4.85 118.95 120.93 2jmb s ARG 44 Ca 0.03 -1.34 -0.05 0.00 -0.13 0.00 0.00 55.73 54.24 2jmb s ARG 44 Cb -0.13 -1.54 0.01 0.00 -1.56 0.00 0.00 34.95 31.72 2jmb s ARG 44 CO 0.02 -1.16 0.95 0.41 -0.81 0.00 0.00 175.30 174.71 2jmb n GLY 45 N 4.16 -0.28 2.49 8.12 0.00 -1.26 -1.94 105.19 116.47 2jmb n GLY 45 Ca 0.08 0.08 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 -4.29 0.00 -2.69 4.61 0.00 -1.26 -4.96 120.51 111.92 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 -2.65 3.42 0.02 0.00 4.02 -0.82 0.70 115.29 119.99 2jmb s HIS 47 Ca 0.00 0.70 -0.05 0.00 1.02 0.00 0.00 55.06 56.73 2jmb s HIS 47 Cb 0.00 -2.52 -0.01 0.00 -1.02 0.00 0.00 32.58 29.03 2jmb s HIS 47 CO 0.00 0.06 0.08 -1.50 1.02 0.00 0.00 174.74 174.40 2jmb s ILE 48 N 1.04 0.12 0.05 0.60 -1.16 -1.07 0.12 121.20 120.90 2jmb s ILE 48 Ca 0.21 -0.97 0.04 0.00 -0.51 0.00 0.00 60.65 59.42 2jmb s ILE 48 Cb -0.15 -0.66 -0.03 0.00 0.61 0.00 0.00 42.46 42.24 2jmb s ILE 48 CO 0.08 -0.53 -0.11 0.20 -2.81 0.00 0.00 174.94 171.77 2jmb s ASN 49 N -1.81 1.23 -0.33 4.50 0.02 -1.12 0.16 114.94 117.58 2jmb s ASN 49 Ca -0.10 -0.55 -0.12 0.00 -1.02 0.00 0.00 52.86 51.07 2jmb s ASN 49 Cb -0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 41.25 41.20 2jmb s ASN 49 CO -0.02 -0.13 0.22 -0.31 0.02 0.00 0.00 177.10 176.89 2jmb s TYR 50 N -1.25 3.22 -0.68 2.20 2.02 0.66 -2.28 117.35 121.23 2jmb s TYR 50 Ca -0.06 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.31 2jmb s TYR 50 Cb -0.10 -2.45 0.18 0.00 -0.40 0.00 0.00 41.96 39.19 2jmb s TYR 50 CO 0.01 -0.38 0.53 -0.46 -1.57 0.00 0.00 175.55 173.68 2jmb s TRP 51 N 1.70 3.50 0.75 2.71 -0.00 -0.55 0.37 118.94 127.42 2jmb s TRP 51 Ca 0.06 -2.52 -0.12 0.00 -0.00 0.00 0.00 56.10 53.52 2jmb s TRP 51 Cb -0.17 -3.37 0.05 0.00 -0.00 0.00 0.00 33.47 29.98 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 1.09 4.43 0.09 5.86 1.11 0.29 -4.07 116.67 125.47 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 0.67 0.00 1.07 0.00 0.00 42.92 41.94 2jmb s ASP 52 CO -0.05 -2.09 1.57 0.47 1.18 0.00 0.00 175.17 176.26 2jmb n ASP 53 N -3.20 0.53 -1.50 0.27 8.00 -1.26 -3.73 116.55 115.67 2jmb n ASP 53 Ca 0.10 0.21 -0.04 0.00 0.71 0.00 0.00 54.79 55.78 2jmb n ASP 53 Cb 0.52 -0.17 0.18 0.00 -0.02 0.00 0.00 41.12 41.64 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 -1.87 1.92 -1.20 -3.53 5.66 -1.26 -4.85 114.28 109.15 2jmb n THR 54 Ca 0.05 -0.96 0.00 0.00 -3.05 0.00 0.00 64.05 60.10 2jmb n THR 54 Cb 0.39 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 0.01 0.43 3.59 1.09 0.00 -1.24 -5.06 105.19 104.00 2jmb n GLY 55 Ca 0.25 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 2.50 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.79 2jmb s PHE 56 Ca 0.00 -0.40 -0.26 0.00 0.33 0.00 0.00 56.93 56.59 2jmb s PHE 56 Cb 0.00 -1.35 0.08 0.00 -1.31 0.00 0.00 43.02 40.43 2jmb s PHE 56 CO 0.00 0.55 0.75 0.95 1.83 0.00 0.00 175.22 179.31 2jmb s THR 57 N -2.51 0.00 -0.09 0.12 -4.23 -1.25 -0.55 115.64 107.13 2jmb s THR 57 Ca 0.33 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.81 2jmb s THR 57 Cb -0.01 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.88 2jmb s THR 57 CO 0.18 0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.44 2jmb s ALA 58 N -0.02 -0.24 0.28 3.99 0.00 0.16 -4.93 121.76 121.00 2jmb s ALA 58 Ca -0.02 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 2jmb s ALA 58 Cb -0.04 -0.79 -0.07 0.00 0.00 0.00 0.00 23.12 22.23 2jmb s ALA 58 CO 0.02 -0.51 0.59 0.16 0.00 0.00 0.00 175.76 176.03 2jmb s ASP 59 N 2.13 6.56 0.00 0.00 -4.77 -1.26 0.24 116.67 119.56 2jmb s ASP 59 Ca 0.01 0.90 0.00 0.00 -3.30 0.00 0.00 52.55 50.16 2jmb s ASP 59 Cb -0.12 -2.22 0.00 0.00 -1.09 0.00 0.00 42.92 39.49 2jmb s ASP 59 CO -0.06 -0.17 0.00 0.61 0.70 0.00 0.00 175.17 176.25 2jmb n GLY 60 N -0.58 2.86 3.64 2.12 0.00 0.43 -2.98 105.19 110.67 2jmb n GLY 60 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.35 -0.56 -0.40 1.61 -4.77 0.26 -2.59 116.67 109.87 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 1.20 0.01 0.00 -1.09 0.00 0.00 42.92 43.04 2jmb s ASP 61 CO 0.00 -0.14 1.46 -0.36 0.70 0.00 0.00 175.17 176.83 2jmb s PHE 62 N 1.29 2.32 -0.90 2.11 0.08 0.22 -1.77 117.98 121.32 2jmb s PHE 62 Ca -0.08 0.66 0.26 0.00 0.12 0.00 0.00 56.93 57.89 2jmb s PHE 62 Cb -0.04 -4.29 0.67 0.00 -0.57 0.00 0.00 43.02 38.79 2jmb s PHE 62 CO -0.15 -2.12 1.54 1.33 -0.10 0.00 0.00 175.22 175.72 2jmb n VAL 63 N 7.13 0.12 -3.68 -0.44 0.24 -1.24 -4.90 118.33 115.57 2jmb n VAL 63 Ca 0.17 -0.08 -0.08 0.00 -2.04 0.00 0.00 64.34 62.32 2jmb n VAL 63 Cb 0.48 -0.07 0.02 0.00 -1.47 0.00 0.00 33.84 32.80 2jmb n VAL 63 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2jmb n SER 64 N -1.69 -1.76 0.16 -1.34 2.88 -1.22 -4.95 113.62 105.71 2jmb n SER 64 Ca 0.05 -2.32 0.04 0.00 -1.33 0.00 0.00 58.87 55.32 2jmb n SER 64 Cb 0.37 2.96 0.20 0.00 -0.75 0.00 0.00 64.21 66.99 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 1.99 0.84 0.00 -1.46 0.00 -2.02 -3.31 119.26 115.30 2jmb h ALA 65 Ca -0.26 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2jmb h ALA 65 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2jmb h ALA 65 CO 0.34 0.56 0.00 0.09 0.00 0.00 0.00 179.25 180.24 2jmb n ASN 66 N -3.40 0.86 -4.66 0.00 5.03 -1.26 -4.97 115.26 106.88 2jmb n ASN 66 Ca 0.01 -1.11 -0.31 0.00 0.87 0.00 0.00 54.58 54.03 2jmb n ASN 66 Cb 0.61 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.29 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 -0.11 2.55 0.02 3.52 2.12 -1.25 -0.96 118.70 124.59 2jmb s GLU 67 Ca 0.00 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.57 2jmb s GLU 67 Cb 0.00 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 2jmb s GLU 67 CO 0.00 0.56 -0.10 -1.17 -0.54 0.00 0.00 175.26 174.02 2jmb s LEU 68 N -1.99 2.12 -0.24 2.70 1.98 0.28 -3.38 118.68 120.16 2jmb s LEU 68 Ca 0.22 -0.33 0.00 0.00 -2.89 0.00 0.00 54.13 51.13 2jmb s LEU 68 Cb -0.11 -0.41 0.06 0.00 0.66 0.00 0.00 46.19 46.39 2jmb s LEU 68 CO 0.14 0.01 -0.04 -1.00 -1.89 0.00 0.00 176.35 173.57 2jmb s HIS 69 N -0.67 2.30 -0.02 5.38 3.76 -0.73 -0.60 115.29 124.72 2jmb s HIS 69 Ca -0.00 -1.72 -0.00 0.00 -0.15 0.00 0.00 55.06 53.18 2jmb s HIS 69 Cb -0.06 -1.58 0.02 0.00 1.11 0.00 0.00 32.58 32.06 2jmb s HIS 69 CO 0.00 -0.77 0.03 -3.38 -0.85 0.00 0.00 174.74 169.77 2jmb s HIS 70 N 1.43 -0.00 -1.48 1.40 -3.43 -1.06 0.91 115.29 113.05 2jmb s HIS 70 Ca -0.04 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 2jmb s HIS 70 Cb -0.19 -0.12 0.00 0.00 -1.43 0.00 0.00 32.58 30.84 2jmb s HIS 70 CO -0.07 -0.06 0.00 0.41 -2.00 0.00 0.00 174.74 173.02 2jmb n GLY 71 N 3.69 0.85 1.74 -1.38 0.00 -1.16 0.23 105.19 109.16 2jmb n GLY 71 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.49 3.81 -0.02 0.00 -1.26 -5.05 105.19 102.70 2jmb n GLY 72 Ca -0.16 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.37 2.68 -0.31 1.61 1.00 0.14 -5.10 119.30 117.95 2jmb s MET 73 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 55.69 54.40 2jmb s MET 73 Cb 0.00 -2.42 0.07 0.00 0.00 0.00 0.00 34.83 32.47 2jmb s MET 73 CO 0.00 0.19 -0.00 0.99 0.00 0.00 0.00 175.02 176.19 2jmb s THR 74 N -2.29 2.69 -0.19 2.05 2.01 -1.26 -2.55 115.64 116.10 2jmb s THR 74 Ca 0.38 -1.65 -0.05 0.00 0.31 0.00 0.00 61.69 60.68 2jmb s THR 74 Cb -0.06 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 2jmb s THR 74 CO 0.25 -0.21 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.60 2jmb s PHE 75 N 1.15 3.03 0.02 4.92 0.08 0.23 -3.14 117.98 124.26 2jmb s PHE 75 Ca -0.03 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.54 2jmb s PHE 75 Cb -0.20 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 2jmb s PHE 75 CO -0.03 -0.24 0.14 0.71 -0.10 0.00 0.00 175.22 175.70 2jmb s TYR 76 N 0.94 3.42 0.22 0.36 1.51 0.31 0.10 117.35 124.20 2jmb s TYR 76 Ca 0.01 0.25 -0.30 0.00 -1.01 0.00 0.00 57.07 56.03 2jmb s TYR 76 Cb -0.14 -1.76 -0.08 0.00 -0.11 0.00 0.00 41.96 39.86 2jmb s TYR 76 CO 0.02 0.59 1.13 0.50 -1.11 0.00 0.00 175.55 176.67 2jmb s ARG 77 N -2.04 4.58 0.00 -0.62 6.06 -0.14 -0.16 118.95 126.64 2jmb s ARG 77 Ca 0.28 1.80 0.00 0.00 -2.50 0.00 0.00 55.73 55.30 2jmb s ARG 77 Cb -0.12 -3.23 0.00 0.00 0.06 0.00 0.00 34.95 31.65 2jmb s ARG 77 CO 0.19 0.08 0.00 -1.91 -2.50 0.00 0.00 175.30 171.16 2jmb n GLU 78 N 1.96 0.00 -0.64 5.12 0.00 0.71 -4.90 120.64 122.90 2jmb n GLU 78 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2jmb n GLU 78 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.89 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76