#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmb n GLN 2 N 0.00 -3.54 -3.82 0.03 3.00 -1.26 -4.91 117.38 106.88 2jmb n GLN 2 Ca 0.00 2.85 -0.30 0.00 -0.01 0.00 0.00 57.00 59.55 2jmb n GLN 2 Cb 0.00 -3.91 -0.15 0.00 0.00 0.00 0.00 30.24 26.18 2jmb n GLN 2 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2jmb s HIS 3 N -4.63 1.98 1.03 1.08 3.76 -1.26 -5.01 115.29 112.24 2jmb s HIS 3 Ca 0.00 -1.70 -0.15 0.00 -0.15 0.00 0.00 55.06 53.06 2jmb s HIS 3 Cb 0.00 -1.67 0.09 0.00 1.11 0.00 0.00 32.58 32.11 2jmb s HIS 3 CO 0.00 -0.80 0.33 -2.30 -0.85 0.00 0.00 174.74 171.12 2jmb n PRO 4 N 4.78 -0.98 0.00 8.40 -0.02 -1.26 -4.67 135.00 141.25 2jmb n PRO 4 Ca -0.05 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 2jmb n PRO 4 Cb 0.44 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 -0.26 -1.90 6.00 4.02 -1.26 -4.94 117.16 114.76 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 0.57 0.16 0.00 0.00 -0.02 0.00 0.00 39.34 40.05 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 -6.54 0.00 -0.72 0.31 -1.25 -5.05 118.33 103.25 2jmb n VAL 6 Ca 0.00 2.74 0.00 0.00 -0.01 0.00 0.00 64.34 67.07 2jmb n VAL 6 Cb 0.00 -3.67 0.00 0.00 -0.91 0.00 0.00 33.84 29.26 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 0.65 3.82 3.39 2.92 0.00 -0.59 -4.88 105.19 110.50 2jmb n GLY 7 Ca 0.00 -0.53 -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 -1.69 4.85 -0.49 -0.61 1.01 -1.26 0.14 121.20 123.14 2jmb s ILE 8 Ca 0.00 -1.22 -0.23 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 0.80 0.26 0.00 0.00 0.00 174.94 174.78 2jmb s TRP 9 N 2.51 2.94 0.19 3.97 0.52 0.29 0.23 118.94 129.60 2jmb s TRP 9 Ca 0.17 -0.04 0.09 0.00 0.02 0.00 0.00 56.10 56.34 2jmb s TRP 9 Cb -0.18 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.35 2jmb s TRP 9 CO 0.02 -1.10 -0.08 0.08 0.02 0.00 0.00 176.95 175.89 2jmb s VAL 10 N 3.35 3.26 1.24 4.03 1.01 0.90 -0.19 120.40 133.99 2jmb s VAL 10 Ca 0.27 -1.68 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 2jmb s VAL 10 Cb -0.14 -2.64 0.30 0.00 0.00 0.00 0.00 36.38 33.90 2jmb s VAL 10 CO 0.19 -0.15 1.06 0.42 0.00 0.00 0.00 175.10 176.62 2jmb s THR 11 N -1.81 1.57 -0.33 3.92 -4.23 -1.11 0.85 115.64 114.51 2jmb s THR 11 Ca 0.26 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.02 2jmb s THR 11 Cb -0.08 -2.36 0.35 0.00 1.34 0.00 0.00 72.50 71.74 2jmb s THR 11 CO 0.16 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.93 2jmb h ALA 12 N -2.73 1.00 0.00 3.99 0.00 -1.94 -3.26 119.26 116.32 2jmb h ALA 12 Ca -0.47 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 2jmb h ALA 12 Cb 1.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2jmb h ALA 12 CO 0.36 0.00 -2.06 -0.25 0.00 0.00 0.00 179.25 177.30 2jmb n ASP 13 N -3.09 0.59 0.00 0.00 8.00 -1.26 -5.01 116.55 115.78 2jmb n ASP 13 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2jmb n ASP 13 Cb 0.48 1.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.98 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 1.66 0.85 0.13 0.44 0.00 -1.23 -4.96 105.19 102.08 2jmb n GLY 14 Ca -0.17 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.95 1.61 -0.00 -1.95 -3.46 114.38 106.64 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 0.20 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 29.99 2jmb h ARG 15 CO 0.00 0.60 -0.60 0.96 -0.00 0.00 0.00 179.97 180.93 2jmb s ILE 16 N -3.19 0.15 -0.02 0.08 -5.25 -1.26 -3.85 121.20 107.86 2jmb s ILE 16 Ca 0.01 -1.22 0.01 0.00 -0.99 0.00 0.00 60.65 58.46 2jmb s ILE 16 Cb 0.10 -0.89 0.02 0.00 2.95 0.00 0.00 42.46 44.64 2jmb s ILE 16 CO 0.75 -0.67 -0.01 -0.60 -1.79 0.00 0.00 174.94 172.61 2jmb s ARG 17 N -2.63 0.35 -0.22 0.37 3.52 -1.10 -2.74 118.95 116.49 2jmb s ARG 17 Ca -0.05 0.00 0.02 0.00 -0.13 0.00 0.00 55.73 55.57 2jmb s ARG 17 Cb -0.01 -0.46 0.04 0.00 -1.56 0.00 0.00 34.95 32.97 2jmb s ARG 17 CO -0.05 -0.07 -0.13 -1.14 -0.81 0.00 0.00 175.30 173.10 2jmb s GLN 18 N 0.69 2.32 -0.15 5.12 0.74 0.73 0.82 119.66 129.93 2jmb s GLN 18 Ca -0.07 -1.02 -0.17 0.00 0.05 0.00 0.00 55.36 54.15 2jmb s GLN 18 Cb -0.10 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.34 2jmb s GLN 18 CO -0.01 -0.43 0.42 -2.00 -0.55 0.00 0.00 175.29 172.72 2jmb s GLU 19 N 1.27 4.28 -0.37 1.67 2.12 0.27 0.11 118.70 128.04 2jmb s GLU 19 Ca -0.03 0.31 -0.19 0.00 0.36 0.00 0.00 54.97 55.43 2jmb s GLU 19 Cb -0.17 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.76 2jmb s GLU 19 CO -0.08 0.11 0.54 -0.51 -0.54 0.00 0.00 175.26 174.78 2jmb s LEU 20 N 0.82 4.40 0.77 2.70 1.43 0.37 0.90 118.68 130.08 2jmb s LEU 20 Ca 0.22 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 2jmb s LEU 20 Cb -0.15 -2.62 0.06 0.00 0.03 0.00 0.00 46.19 43.52 2jmb s LEU 20 CO 0.08 -0.55 1.12 -0.76 0.23 0.00 0.00 176.35 176.47 2jmb s LEU 21 N 2.48 3.11 0.56 1.79 1.02 0.39 -1.55 118.68 126.48 2jmb s LEU 21 Ca 0.19 2.02 0.37 0.00 0.02 0.00 0.00 54.13 56.73 2jmb s LEU 21 Cb -0.15 -4.55 1.88 0.00 0.02 0.00 0.00 46.19 43.39 2jmb s LEU 21 CO 0.14 -2.23 2.12 -0.65 0.02 0.00 0.00 176.35 175.76 2jmb h PRO 22 N -0.94 0.00 -0.72 1.29 0.11 -1.96 -1.68 132.00 128.10 2jmb h PRO 22 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 2jmb h PRO 22 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2jmb h PRO 22 CO 0.49 0.00 0.04 0.09 -0.21 0.00 0.00 178.00 178.42 2jmb n ASN 23 N -2.89 4.42 -2.31 -2.05 3.02 -1.26 -4.88 115.26 109.31 2jmb n ASN 23 Ca -0.01 -2.73 -0.09 0.00 -0.03 0.00 0.00 54.58 51.71 2jmb n ASN 23 Cb 0.13 -0.65 0.05 0.00 -0.61 0.00 0.00 39.78 38.70 2jmb n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jmb n GLY 24 N 0.35 -0.01 3.30 7.41 0.00 -0.64 -4.84 105.19 110.76 2jmb n GLY 24 Ca 0.23 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.63 0.46 -4.07 1.61 5.12 -1.17 -4.39 116.66 111.58 2jmb n ARG 25 Ca -0.14 -3.42 -0.12 0.00 -1.93 0.00 0.00 57.85 52.25 2jmb n ARG 25 Cb 0.59 2.51 -0.11 0.00 -1.16 0.00 0.00 32.46 34.29 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 -3.29 0.66 -0.24 -1.55 -0.85 -1.23 0.15 117.35 111.00 2jmb s TYR 26 Ca 0.35 -0.61 -0.03 0.00 -0.52 0.00 0.00 57.07 56.26 2jmb s TYR 26 Cb 0.02 -0.40 0.13 0.00 0.38 0.00 0.00 41.96 42.09 2jmb s TYR 26 CO 0.24 -0.12 0.37 -0.51 -1.52 0.00 0.00 175.55 174.01 2jmb s ASP 27 N -1.90 0.26 -0.15 -0.18 1.11 0.26 -2.73 116.67 113.34 2jmb s ASP 27 Ca -0.06 0.25 -0.07 0.00 0.18 0.00 0.00 52.55 52.86 2jmb s ASP 27 Cb -0.06 1.09 -0.04 0.00 1.07 0.00 0.00 42.92 44.98 2jmb s ASP 27 CO -0.01 -0.30 0.07 -0.70 1.18 0.00 0.00 175.17 175.42 2jmb s GLU 28 N 2.54 3.69 -0.30 8.23 2.12 -0.84 0.97 118.70 135.11 2jmb s GLU 28 Ca 0.12 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.19 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 -0.15 0.47 -0.03 0.00 -0.54 0.00 0.00 175.26 175.01 2jmb s ALA 29 N -0.18 2.70 -0.37 6.30 0.00 0.24 -2.18 121.76 128.28 2jmb s ALA 29 Ca 0.08 -2.13 -0.12 0.00 0.00 0.00 0.00 51.96 49.79 2jmb s ALA 29 Cb -0.12 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.25 2jmb s ALA 29 CO 0.01 -1.44 0.22 1.03 0.00 0.00 0.00 175.76 175.58 2jmb s ARG 30 N 1.02 3.03 2.62 0.00 0.52 -1.10 -2.73 118.95 122.31 2jmb s ARG 30 Ca 0.01 -0.95 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2jmb s ARG 30 Cb -0.19 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.51 2jmb s ARG 30 CO -0.07 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.03 2jmb n GLY 31 N 5.04 0.96 0.34 -3.53 0.00 -1.25 -1.70 105.19 105.06 2jmb n GLY 31 Ca -0.12 -0.61 0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 5.57 0.00 -2.49 1.61 2.35 -1.97 -3.27 115.58 117.39 2jmb h ASN 32 Ca 0.00 0.00 -0.77 0.00 -0.55 0.00 0.00 56.30 54.98 2jmb h ASN 32 Cb 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.16 2jmb h ASN 32 CO 0.00 0.00 1.17 -1.14 -1.65 0.00 0.00 177.43 175.81 2jmb n ARG 33 N -3.10 3.61 -1.80 0.81 3.00 -0.69 -5.01 116.66 113.47 2jmb n ARG 33 Ca -0.03 -4.04 -0.29 0.00 -0.00 0.00 0.00 57.85 53.49 2jmb n ARG 33 Cb 0.14 -2.82 0.10 0.00 0.00 0.00 0.00 32.46 29.88 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 0.02 1.83 -1.08 -0.14 0.00 -1.24 -2.71 119.74 116.44 2jmb s LYS 34 Ca 0.38 0.19 -0.00 0.00 0.00 0.00 0.00 55.97 56.53 2jmb s LYS 34 Cb -0.01 -1.93 0.00 0.00 0.00 0.00 0.00 37.83 35.89 2jmb s LYS 34 CO -0.01 -1.70 0.01 0.43 0.00 0.00 0.00 175.35 174.08 2jmb n SER 35 N -3.41 -3.96 -0.27 0.03 7.64 -1.08 -4.82 113.62 107.75 2jmb n SER 35 Ca 0.08 0.18 0.03 0.00 1.01 0.00 0.00 58.87 60.17 2jmb n SER 35 Cb 0.60 -3.36 0.17 0.00 -1.01 0.00 0.00 64.21 60.61 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 1.12 -2.48 -0.43 0.00 -1.54 -3.43 119.26 113.50 2jmb h ALA 36 Ca -0.30 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2jmb h ALA 36 Cb 1.22 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 2jmb h ALA 36 CO 0.35 0.00 -0.11 0.71 0.00 0.00 0.00 179.25 180.20 2jmb s TYR 37 N -6.03 -0.53 -0.03 0.00 1.51 -1.25 -5.07 117.35 105.96 2jmb s TYR 37 Ca -0.12 1.24 -0.19 0.00 -1.01 0.00 0.00 57.07 56.99 2jmb s TYR 37 Cb 0.19 0.20 0.04 0.00 -0.11 0.00 0.00 41.96 42.28 2jmb s TYR 37 CO 0.77 -0.30 0.41 -0.65 -1.11 0.00 0.00 175.55 174.67 2jmb s GLN 38 N 0.02 0.77 0.00 -0.62 1.11 -1.26 -1.99 119.66 117.69 2jmb s GLN 38 Ca -0.02 -0.06 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 0.02 -0.22 0.00 0.41 0.01 0.00 0.00 175.29 175.51 2jmb n GLY 39 N 1.20 1.08 3.46 3.09 0.00 -1.11 -4.61 105.19 108.31 2jmb n GLY 39 Ca -0.21 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 3.03 -1.25 -3.48 118.95 123.46 2jmb s ARG 40 Ca 0.00 -0.90 0.00 0.00 2.03 0.00 0.00 55.73 56.87 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 -0.54 -0.04 1.52 -1.13 0.00 0.00 175.30 175.11 2jmb s TYR 41 N -3.88 0.58 -0.12 5.89 1.13 -1.26 -1.10 117.35 118.59 2jmb s TYR 41 Ca 0.10 -0.85 0.03 0.00 -1.41 0.00 0.00 57.07 54.94 2jmb s TYR 41 Cb 0.00 -0.38 0.01 0.00 -1.10 0.00 0.00 41.96 40.48 2jmb s TYR 41 CO -0.03 -0.25 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.53 2jmb s GLU 42 N -3.11 3.00 -0.21 -3.49 2.12 -1.00 -4.31 118.70 111.71 2jmb s GLU 42 Ca 0.01 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.41 2jmb s GLU 42 Cb 0.01 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 2jmb s GLU 42 CO -0.06 0.07 0.07 0.08 -0.54 0.00 0.00 175.26 174.89 2jmb s VAL 43 N 0.60 4.70 -0.36 3.70 1.01 -1.26 -2.82 120.40 125.98 2jmb s VAL 43 Ca -0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 2jmb s VAL 43 Cb -0.17 -3.15 0.13 0.00 0.00 0.00 0.00 36.38 33.20 2jmb s VAL 43 CO 0.03 0.41 0.19 -0.60 0.00 0.00 0.00 175.10 175.14 2jmb s ARG 44 N 0.77 0.71 -1.10 2.72 3.52 0.30 -4.86 118.95 121.01 2jmb s ARG 44 Ca 0.04 -1.37 -0.05 0.00 -0.13 0.00 0.00 55.73 54.21 2jmb s ARG 44 Cb -0.13 -1.63 0.01 0.00 -1.56 0.00 0.00 34.95 31.63 2jmb s ARG 44 CO 0.02 -1.15 0.95 0.41 -0.81 0.00 0.00 175.30 174.72 2jmb n GLY 45 N 4.16 -0.28 2.42 8.12 0.00 -1.26 -1.96 105.19 116.39 2jmb n GLY 45 Ca 0.07 0.08 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 -4.29 0.00 -2.67 4.61 0.00 -1.26 -4.96 120.51 111.94 2jmb n ALA 46 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 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 -2.77 3.38 0.02 0.00 4.02 -0.83 0.11 115.29 119.23 2jmb s HIS 47 Ca 0.00 0.65 0.00 0.00 1.02 0.00 0.00 55.06 56.74 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 -0.03 -1.50 1.02 0.00 0.00 174.74 174.23 2jmb s ILE 48 N 1.28 0.14 0.05 0.60 -1.16 -0.11 0.11 121.20 122.11 2jmb s ILE 48 Ca 0.20 -0.69 0.05 0.00 -0.51 0.00 0.00 60.65 59.71 2jmb s ILE 48 Cb -0.15 -0.24 -0.02 0.00 0.61 0.00 0.00 42.46 42.66 2jmb s ILE 48 CO 0.08 -0.35 -0.15 0.20 -2.81 0.00 0.00 174.94 171.91 2jmb s ASN 49 N -1.08 1.81 -0.30 4.50 0.01 -1.13 0.19 114.94 118.95 2jmb s ASN 49 Ca -0.11 -0.50 -0.14 0.00 -0.71 0.00 0.00 52.86 51.40 2jmb s ASN 49 Cb -0.07 -0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.45 2jmb s ASN 49 CO -0.01 0.03 0.33 -0.31 -1.51 0.00 0.00 177.10 175.64 2jmb s TYR 50 N -0.93 3.23 -0.65 2.20 2.02 -0.20 -2.36 117.35 120.65 2jmb s TYR 50 Ca 0.02 0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.86 2jmb s TYR 50 Cb -0.08 -2.57 0.17 0.00 -0.40 0.00 0.00 41.96 39.07 2jmb s TYR 50 CO 0.02 -0.29 0.50 -0.46 -1.57 0.00 0.00 175.55 173.74 2jmb s TRP 51 N 1.99 3.49 0.64 2.71 -0.00 -0.25 0.12 118.94 127.64 2jmb s TRP 51 Ca 0.12 -2.50 -0.15 0.00 -0.00 0.00 0.00 56.10 53.57 2jmb s TRP 51 Cb -0.16 -3.35 -0.01 0.00 -0.00 0.00 0.00 33.47 29.95 2jmb s TRP 51 CO 0.11 -0.89 1.09 -0.51 -0.00 0.00 0.00 176.95 176.75 2jmb s ASP 52 N 1.16 5.31 0.08 5.86 1.11 0.52 -3.93 116.67 126.78 2jmb s ASP 52 Ca 0.16 1.93 0.26 0.00 0.18 0.00 0.00 52.55 55.08 2jmb s ASP 52 Cb -0.19 -2.54 0.67 0.00 1.07 0.00 0.00 42.92 41.93 2jmb s ASP 52 CO -0.04 -1.49 1.57 0.47 1.18 0.00 0.00 175.17 176.85 2jmb n ASP 53 N -2.33 0.53 -1.36 0.27 8.00 -1.26 -3.73 116.55 116.66 2jmb n ASP 53 Ca 0.10 0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.79 2jmb n ASP 53 Cb 0.52 -0.16 0.17 0.00 -0.02 0.00 0.00 41.12 41.63 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 1.67 -1.08 -3.53 5.66 -1.26 -4.85 114.28 109.02 2jmb n THR 54 Ca 0.05 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 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 0.09 0.48 3.49 1.09 0.00 -1.24 -5.07 105.19 104.03 2jmb n GLY 55 Ca 0.20 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 2.27 -0.21 1.61 2.19 -1.25 -5.02 117.98 115.56 2jmb s PHE 56 Ca 0.00 -0.46 -0.21 0.00 0.33 0.00 0.00 56.93 56.59 2jmb s PHE 56 Cb 0.00 -1.17 0.06 0.00 -1.31 0.00 0.00 43.02 40.60 2jmb s PHE 56 CO 0.00 0.59 0.60 0.95 1.83 0.00 0.00 175.22 179.19 2jmb s THR 57 N -2.64 0.00 0.46 0.12 -4.23 -1.25 -0.35 115.64 107.74 2jmb s THR 57 Ca 0.31 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 2jmb s THR 57 Cb -0.00 -0.84 -0.02 0.00 1.34 0.00 0.00 72.50 72.97 2jmb s THR 57 CO 0.15 -0.01 0.08 0.00 -0.54 0.00 0.00 174.62 174.30 2jmb s ALA 58 N 0.21 3.47 -0.03 3.99 0.00 0.33 -4.92 121.76 124.81 2jmb s ALA 58 Ca -0.01 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 2jmb s ALA 58 Cb -0.04 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.53 2jmb s ALA 58 CO 0.01 -0.20 0.19 0.16 0.00 0.00 0.00 175.76 175.92 2jmb s ASP 59 N -3.73 -0.10 0.26 0.00 -4.77 -1.26 -1.03 116.67 106.03 2jmb s ASP 59 Ca 0.15 0.08 -0.11 0.00 -3.30 0.00 0.00 52.55 49.38 2jmb s ASP 59 Cb 0.02 0.31 0.04 0.00 -1.09 0.00 0.00 42.92 42.20 2jmb s ASP 59 CO 0.09 -0.26 0.58 0.61 0.70 0.00 0.00 175.17 176.90 2jmb n GLY 60 N 2.05 1.22 3.52 2.12 0.00 0.51 -2.02 105.19 112.58 2jmb n GLY 60 Ca -0.18 -1.17 -0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.49 -0.64 -0.28 1.61 -4.77 0.23 -0.93 116.67 109.39 2jmb s ASP 61 Ca 0.12 0.93 -0.28 0.00 -3.30 0.00 0.00 52.55 50.01 2jmb s ASP 61 Cb -0.03 1.58 -0.03 0.00 -1.09 0.00 0.00 42.92 43.35 2jmb s ASP 61 CO 0.08 -0.14 1.96 -0.36 0.70 0.00 0.00 175.17 177.41 2jmb s PHE 62 N 2.12 1.56 -0.42 2.11 0.08 0.31 -2.67 117.98 121.06 2jmb s PHE 62 Ca -0.05 0.58 0.23 0.00 0.12 0.00 0.00 56.93 57.81 2jmb s PHE 62 Cb -0.06 -4.05 0.28 0.00 -0.57 0.00 0.00 43.02 38.62 2jmb s PHE 62 CO -0.17 -3.41 1.44 -0.39 -0.10 0.00 0.00 175.22 172.59 2jmb h VAL 63 N 6.92 0.00 -1.63 -0.44 -1.51 -1.87 -3.47 116.25 114.25 2jmb h VAL 63 Ca -0.37 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.18 2jmb h VAL 63 Cb 1.20 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 2jmb h VAL 63 CO 1.00 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 177.10 2jmb n SER 64 N -2.84 0.00 0.04 4.19 2.88 -1.24 -5.00 113.62 111.66 2jmb n SER 64 Ca 0.03 -0.63 -0.06 0.00 -1.33 0.00 0.00 58.87 56.88 2jmb n SER 64 Cb 0.52 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 1.27 0.55 0.00 -1.46 0.00 -2.02 -3.37 119.26 114.24 2jmb h ALA 65 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2jmb h ALA 65 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jmb h ALA 65 CO 0.00 1.28 0.00 0.09 0.00 0.00 0.00 179.25 180.62 2jmb n ASN 66 N -3.19 0.96 -4.73 0.00 5.03 -1.26 -4.98 115.26 107.08 2jmb n ASN 66 Ca -0.06 -1.10 -0.31 0.00 0.87 0.00 0.00 54.58 53.98 2jmb n ASN 66 Cb 0.95 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.64 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 -0.10 2.74 0.02 3.52 2.12 -1.26 -1.04 118.70 124.71 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 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 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 -2.28 2.13 -0.25 2.70 1.98 0.31 -3.62 118.68 119.65 2jmb s LEU 68 Ca 0.27 -0.34 0.01 0.00 -2.89 0.00 0.00 54.13 51.17 2jmb s LEU 68 Cb -0.12 -0.38 0.07 0.00 0.66 0.00 0.00 46.19 46.42 2jmb s LEU 68 CO 0.19 -0.01 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.62 2jmb s HIS 69 N -0.71 2.35 -0.01 5.38 3.76 -1.09 -0.76 115.29 124.21 2jmb s HIS 69 Ca -0.01 -1.80 0.00 0.00 -0.15 0.00 0.00 55.06 53.10 2jmb s HIS 69 Cb -0.06 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 31.98 2jmb s HIS 69 CO 0.00 -0.79 0.01 -3.38 -0.85 0.00 0.00 174.74 169.73 2jmb s HIS 70 N 1.41 0.08 -1.37 1.40 -3.43 -1.07 0.74 115.29 113.04 2jmb s HIS 70 Ca -0.03 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 2jmb s HIS 70 Cb -0.19 -0.16 0.00 0.00 -1.43 0.00 0.00 32.58 30.80 2jmb s HIS 70 CO -0.08 -0.05 0.00 0.41 -2.00 0.00 0.00 174.74 173.02 2jmb n GLY 71 N 3.62 0.68 1.81 -1.38 0.00 -0.86 0.33 105.19 109.39 2jmb n GLY 71 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.45 3.79 -0.02 0.00 -1.26 -5.05 105.19 102.64 2jmb n GLY 72 Ca -0.15 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.59 2.61 -0.30 1.61 1.00 0.15 -5.11 119.30 117.68 2jmb s MET 73 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 55.69 54.35 2jmb s MET 73 Cb 0.00 -2.37 0.07 0.00 0.00 0.00 0.00 34.83 32.52 2jmb s MET 73 CO 0.00 0.17 -0.01 0.99 0.00 0.00 0.00 175.02 176.17 2jmb s THR 74 N -2.32 2.69 -0.17 2.05 2.01 -1.26 -2.60 115.64 116.05 2jmb s THR 74 Ca 0.38 -1.64 -0.04 0.00 0.31 0.00 0.00 61.69 60.70 2jmb s THR 74 Cb -0.05 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 2jmb s THR 74 CO 0.25 -0.20 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.57 2jmb s PHE 75 N 1.15 3.00 0.00 4.92 0.08 0.06 -3.63 117.98 123.57 2jmb s PHE 75 Ca -0.03 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.57 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 -0.03 -0.16 0.10 0.71 -0.10 0.00 0.00 175.22 175.74 2jmb s TYR 76 N 0.64 3.32 0.25 0.36 1.51 0.25 0.11 117.35 123.79 2jmb s TYR 76 Ca -0.02 0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.96 2jmb s TYR 76 Cb -0.14 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 39.87 2jmb s TYR 76 CO 0.02 0.56 1.17 0.50 -1.11 0.00 0.00 175.55 176.70 2jmb s ARG 77 N -1.83 4.54 0.00 -0.62 6.06 -0.20 -0.07 118.95 126.82 2jmb s ARG 77 Ca 0.24 1.90 0.00 0.00 -2.50 0.00 0.00 55.73 55.37 2jmb s ARG 77 Cb -0.12 -3.19 0.00 0.00 0.06 0.00 0.00 34.95 31.70 2jmb s ARG 77 CO 0.15 0.03 0.00 -1.91 -2.50 0.00 0.00 175.30 171.07 2jmb n GLU 78 N 1.70 0.00 -0.60 5.12 0.00 0.62 -4.89 120.64 122.60 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.88 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76