#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 0.74 -0.32 0.03 -0.21 -1.26 -4.89 119.66 113.75 2jmb s GLN 2 Ca 0.00 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 2jmb s GLN 2 Cb 0.00 0.30 0.10 0.00 1.00 0.00 0.00 33.01 34.42 2jmb s GLN 2 CO 0.00 -0.22 0.12 -1.01 -2.12 0.00 0.00 175.29 172.06 2jmb s HIS 3 N -3.09 1.47 1.04 0.91 3.76 -1.26 -5.02 115.29 113.09 2jmb s HIS 3 Ca -0.01 -1.65 -0.16 0.00 -0.15 0.00 0.00 55.06 53.10 2jmb s HIS 3 Cb 0.01 -1.57 0.07 0.00 1.11 0.00 0.00 32.58 32.21 2jmb s HIS 3 CO -0.07 -0.86 0.21 -2.30 -0.85 0.00 0.00 174.74 170.87 2jmb n PRO 4 N 4.78 -0.96 0.00 8.40 -0.02 -1.26 -4.67 135.00 141.26 2jmb n PRO 4 Ca -0.01 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2jmb n PRO 4 Cb 0.41 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 -4.02 -0.17 -1.91 6.00 4.02 -1.26 -4.96 117.16 114.87 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 0.58 0.10 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 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 -1.71 -6.21 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.69 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 -3.60 0.00 0.00 -0.91 0.00 0.00 33.84 29.33 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 0.60 3.75 3.37 2.92 0.00 -0.72 -4.88 105.19 110.23 2jmb n GLY 7 Ca 0.00 -0.52 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.75 4.97 -0.50 -0.61 1.01 -1.26 0.13 121.20 123.20 2jmb s ILE 8 Ca 0.00 -1.37 -0.22 0.00 0.00 0.00 0.00 60.65 59.06 2jmb s ILE 8 Cb 0.00 -4.52 0.04 0.00 0.01 0.00 0.00 42.46 37.99 2jmb s ILE 8 CO 0.00 -1.14 0.80 0.26 0.00 0.00 0.00 174.94 174.86 2jmb s TRP 9 N 2.17 2.93 0.20 3.97 0.52 0.32 0.26 118.94 129.31 2jmb s TRP 9 Ca 0.15 -0.07 0.09 0.00 0.02 0.00 0.00 56.10 56.29 2jmb s TRP 9 Cb -0.20 -3.77 -0.04 0.00 -1.15 0.00 0.00 33.47 28.31 2jmb s TRP 9 CO 0.01 -1.13 -0.10 0.08 0.02 0.00 0.00 176.95 175.83 2jmb s VAL 10 N 3.38 3.11 1.35 4.03 1.01 0.11 0.10 120.40 133.50 2jmb s VAL 10 Ca 0.26 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 2jmb s VAL 10 Cb -0.14 -2.57 0.34 0.00 0.00 0.00 0.00 36.38 34.01 2jmb s VAL 10 CO 0.19 -0.18 1.01 0.42 0.00 0.00 0.00 175.10 176.54 2jmb s THR 11 N -1.87 1.32 -0.45 3.92 -4.23 -1.11 0.92 115.64 114.14 2jmb s THR 11 Ca 0.26 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.00 2jmb s THR 11 Cb -0.08 -2.27 0.34 0.00 1.34 0.00 0.00 72.50 71.82 2jmb s THR 11 CO 0.16 0.00 1.63 0.00 -0.54 0.00 0.00 174.62 175.86 2jmb h ALA 12 N -3.12 1.00 0.00 3.99 0.00 -1.94 -3.31 119.26 115.89 2jmb h ALA 12 Ca -0.42 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 2jmb h ALA 12 Cb 1.31 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2jmb h ALA 12 CO 0.28 0.00 -2.13 -3.47 0.00 0.00 0.00 179.25 173.93 2jmb n ASP 13 N -3.04 0.78 0.00 0.00 -0.08 -1.26 -5.01 116.55 107.93 2jmb n ASP 13 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2jmb n ASP 13 Cb 0.52 1.06 0.00 0.00 2.34 0.00 0.00 41.12 45.04 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 1.87 1.28 0.08 0.27 0.00 -1.25 -4.99 105.19 102.46 2jmb n GLY 14 Ca -0.24 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 0.06 -4.24 1.61 -0.00 -1.95 -3.46 114.38 106.40 2jmb h ARG 15 Ca 0.00 -0.09 -0.17 0.00 -0.00 0.00 0.00 59.98 59.72 2jmb h ARG 15 Cb 0.17 0.03 -0.18 0.00 -0.00 0.00 0.00 29.97 30.00 2jmb h ARG 15 CO 0.00 0.98 -0.69 0.96 -0.00 0.00 0.00 179.97 181.22 2jmb s ILE 16 N -2.86 0.28 -0.01 0.08 -5.25 -1.26 -2.78 121.20 109.40 2jmb s ILE 16 Ca -0.00 -1.44 0.01 0.00 -0.99 0.00 0.00 60.65 58.23 2jmb s ILE 16 Cb 0.10 -1.01 -0.00 0.00 2.95 0.00 0.00 42.46 44.49 2jmb s ILE 16 CO 0.82 -0.75 -0.04 -0.60 -1.79 0.00 0.00 174.94 172.58 2jmb s ARG 17 N -2.82 0.41 -0.22 0.37 3.52 -1.00 -2.75 118.95 116.46 2jmb s ARG 17 Ca -0.02 -0.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.43 2jmb s ARG 17 Cb -0.00 -0.41 0.05 0.00 -1.56 0.00 0.00 34.95 33.03 2jmb s ARG 17 CO -0.05 0.08 -0.07 -1.14 -0.81 0.00 0.00 175.30 173.31 2jmb s GLN 18 N 0.01 1.71 -0.17 5.12 0.74 0.12 0.11 119.66 127.29 2jmb s GLN 18 Ca 0.00 -0.89 -0.16 0.00 0.05 0.00 0.00 55.36 54.36 2jmb s GLN 18 Cb -0.03 -2.47 -0.04 0.00 1.10 0.00 0.00 33.01 31.57 2jmb s GLN 18 CO -0.00 -0.53 0.41 -2.00 -0.55 0.00 0.00 175.29 172.62 2jmb s GLU 19 N 1.43 4.23 -0.37 1.67 2.12 0.30 0.12 118.70 128.20 2jmb s GLU 19 Ca -0.04 0.27 -0.20 0.00 0.36 0.00 0.00 54.97 55.36 2jmb s GLU 19 Cb -0.18 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.72 2jmb s GLU 19 CO -0.07 0.05 0.59 -0.51 -0.54 0.00 0.00 175.26 174.78 2jmb s LEU 20 N 1.02 4.33 0.72 2.70 1.43 0.36 0.85 118.68 130.10 2jmb s LEU 20 Ca 0.21 0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 2jmb s LEU 20 Cb -0.15 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.41 2jmb s LEU 20 CO 0.08 -0.58 1.13 -0.76 0.23 0.00 0.00 176.35 176.45 2jmb s LEU 21 N 2.59 3.24 0.45 1.79 1.02 0.41 -1.76 118.68 126.42 2jmb s LEU 21 Ca 0.22 2.06 0.31 0.00 0.02 0.00 0.00 54.13 56.73 2jmb s LEU 21 Cb -0.15 -4.55 1.53 0.00 0.02 0.00 0.00 46.19 43.03 2jmb s LEU 21 CO 0.15 -2.00 1.93 -0.65 0.02 0.00 0.00 176.35 175.80 2jmb h PRO 22 N -0.48 0.00 -0.79 1.29 0.11 -1.96 -1.83 132.00 128.33 2jmb h PRO 22 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 2jmb h PRO 22 Cb 1.26 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 2jmb h PRO 22 CO 0.51 0.00 0.22 0.27 -0.21 0.00 0.00 178.00 178.79 2jmb n ASN 23 N -2.63 4.40 -2.60 -2.05 6.94 -1.26 -4.89 115.26 113.16 2jmb n ASN 23 Ca -0.01 -2.99 -0.10 0.00 -0.02 0.00 0.00 54.58 51.46 2jmb n ASN 23 Cb 0.13 -0.70 0.05 0.00 -2.36 0.00 0.00 39.78 36.90 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 -0.03 -0.24 3.29 4.83 0.00 -0.70 -4.90 105.19 107.45 2jmb n GLY 24 Ca 0.33 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.86 0.53 -4.06 1.61 5.12 -1.17 -4.46 116.66 111.37 2jmb n ARG 25 Ca -0.13 -3.14 -0.13 0.00 -1.93 0.00 0.00 57.85 52.52 2jmb n ARG 25 Cb 0.60 2.74 -0.11 0.00 -1.16 0.00 0.00 32.46 34.52 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 -3.17 0.65 -0.21 -1.55 -0.85 -1.23 0.15 117.35 111.14 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 -0.39 0.11 0.00 0.38 0.00 0.00 41.96 42.06 2jmb s TYR 26 CO 0.25 -0.09 0.30 -0.51 -1.52 0.00 0.00 175.55 173.99 2jmb s ASP 27 N -1.57 0.69 -0.14 -0.18 1.11 0.25 -2.59 116.67 114.23 2jmb s ASP 27 Ca -0.10 0.13 -0.06 0.00 0.18 0.00 0.00 52.55 52.70 2jmb s ASP 27 Cb -0.10 0.78 -0.04 0.00 1.07 0.00 0.00 42.92 44.63 2jmb s ASP 27 CO 0.00 -0.30 0.05 -0.70 1.18 0.00 0.00 175.17 175.41 2jmb s GLU 28 N 2.45 3.58 -0.29 8.23 2.12 -0.86 0.11 118.70 134.04 2jmb s GLU 28 Ca 0.08 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.11 2jmb s GLU 28 Cb -0.15 -3.07 0.08 0.00 0.26 0.00 0.00 34.13 31.25 2jmb s GLU 28 CO -0.13 0.49 -0.02 0.00 -0.54 0.00 0.00 175.26 175.05 2jmb s ALA 29 N -0.24 2.49 0.07 6.30 0.00 0.30 -2.64 121.76 128.03 2jmb s ALA 29 Ca 0.08 -1.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.03 2jmb s ALA 29 Cb -0.12 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 2jmb s ALA 29 CO 0.02 -1.42 0.28 1.03 0.00 0.00 0.00 175.76 175.66 2jmb s ARG 30 N 1.13 3.54 0.02 0.00 0.52 -1.22 -2.37 118.95 120.57 2jmb s ARG 30 Ca 0.01 -0.20 -0.37 0.00 -0.52 0.00 0.00 55.73 54.64 2jmb s ARG 30 Cb -0.19 -2.99 -0.17 0.00 0.52 0.00 0.00 34.95 32.12 2jmb s ARG 30 CO -0.08 0.58 1.39 0.41 0.02 0.00 0.00 175.30 177.62 2jmb n GLY 31 N 0.53 0.49 2.56 -3.53 0.00 -1.12 -0.05 105.19 104.08 2jmb n GLY 31 Ca -0.06 0.74 -0.19 0.00 0.00 0.00 0.00 46.02 46.50 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 2.91 -5.39 -1.76 1.61 4.05 -1.26 -4.75 115.26 110.67 2jmb n ASN 32 Ca 0.20 -0.03 -0.01 0.00 0.45 0.00 0.00 54.58 55.19 2jmb n ASN 32 Cb 0.18 -4.47 0.04 0.00 1.23 0.00 0.00 39.78 36.75 2jmb n ASN 32 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2jmb n ARG 33 N -3.18 0.43 -0.54 1.20 3.00 0.93 -5.16 116.66 113.35 2jmb n ARG 33 Ca -0.19 -0.43 -0.30 0.00 -0.00 0.00 0.00 57.85 56.93 2jmb n ARG 33 Cb 0.65 0.21 0.23 0.00 0.00 0.00 0.00 32.46 33.55 2jmb n ARG 33 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2jmb n LYS 34 N -0.49 -2.17 -2.44 -0.14 0.00 -0.52 -2.72 118.16 109.67 2jmb n LYS 34 Ca -0.07 -0.61 -0.08 0.00 -0.00 0.00 0.00 58.31 57.56 2jmb n LYS 34 Cb 0.61 -2.04 -0.00 0.00 -0.00 0.00 0.00 35.03 33.60 2jmb n LYS 34 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jmb n SER 35 N -3.98 -2.82 0.13 -5.58 7.64 -1.19 -4.78 113.62 103.04 2jmb n SER 35 Ca 0.03 0.31 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 2jmb n SER 35 Cb 0.56 -2.46 -0.06 0.00 -1.01 0.00 0.00 64.21 61.24 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 -0.40 -2.56 -0.43 0.00 -1.30 -3.46 119.26 112.13 2jmb h ALA 36 Ca -0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2jmb h ALA 36 Cb 1.13 0.32 -0.18 0.00 0.00 0.00 0.00 17.79 19.06 2jmb h ALA 36 CO 0.22 -0.76 -0.29 0.71 0.00 0.00 0.00 179.25 179.13 2jmb s TYR 37 N -6.09 -0.08 -0.07 0.00 1.51 -1.25 -5.07 117.35 106.30 2jmb s TYR 37 Ca -0.15 -0.04 -0.31 0.00 -1.01 0.00 0.00 57.07 55.56 2jmb s TYR 37 Cb 0.07 0.06 0.08 0.00 -0.11 0.00 0.00 41.96 42.06 2jmb s TYR 37 CO 0.65 -0.46 0.73 -0.65 -1.11 0.00 0.00 175.55 174.71 2jmb s GLN 38 N -2.31 0.99 0.00 -0.62 -0.21 -1.26 -2.02 119.66 114.22 2jmb s GLN 38 Ca -0.07 0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.57 2jmb s GLN 38 Cb -0.02 0.47 0.00 0.00 1.00 0.00 0.00 33.01 34.46 2jmb s GLN 38 CO -0.02 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.25 2jmb n GLY 39 N 0.91 0.93 3.47 3.09 0.00 -1.07 -4.65 105.19 107.88 2jmb n GLY 39 Ca -0.18 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 3.10 1.31 0.05 1.61 3.03 -1.25 -3.54 118.95 123.24 2jmb s ARG 40 Ca 0.00 -0.89 -0.00 0.00 2.03 0.00 0.00 55.73 56.86 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 0.50 -0.12 5.89 -0.85 -1.26 -0.97 117.35 116.66 2jmb s TYR 41 Ca 0.10 -0.89 0.03 0.00 -0.52 0.00 0.00 57.07 55.79 2jmb s TYR 41 Cb 0.00 -0.35 0.01 0.00 0.38 0.00 0.00 41.96 42.00 2jmb s TYR 41 CO -0.04 -0.29 -0.22 -2.00 -1.52 0.00 0.00 175.55 171.48 2jmb s GLU 42 N -3.15 2.97 -0.19 -3.49 2.12 -0.95 -4.35 118.70 111.65 2jmb s GLU 42 Ca 0.01 -0.85 -0.07 0.00 0.36 0.00 0.00 54.97 54.42 2jmb s GLU 42 Cb 0.02 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 2jmb s GLU 42 CO -0.07 0.07 0.06 0.08 -0.54 0.00 0.00 175.26 174.86 2jmb s VAL 43 N 0.61 4.66 -0.29 3.70 1.01 -1.26 -2.76 120.40 126.06 2jmb s VAL 43 Ca -0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2jmb s VAL 43 Cb -0.17 -3.11 0.10 0.00 0.00 0.00 0.00 36.38 33.20 2jmb s VAL 43 CO 0.03 0.44 0.13 -0.60 0.00 0.00 0.00 175.10 175.10 2jmb s ARG 44 N 0.62 0.23 -1.34 2.72 3.52 0.28 -4.88 118.95 120.10 2jmb s ARG 44 Ca 0.03 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 54.98 2jmb s ARG 44 Cb -0.13 -1.21 0.02 0.00 -1.56 0.00 0.00 34.95 32.06 2jmb s ARG 44 CO 0.01 -1.02 1.10 0.41 -0.81 0.00 0.00 175.30 174.99 2jmb n GLY 45 N 5.20 -0.49 2.74 8.12 0.00 -1.26 -1.18 105.19 118.32 2jmb n GLY 45 Ca -0.05 0.21 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 -4.74 0.00 -2.68 4.61 0.00 -1.26 -4.95 120.51 111.49 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 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.16 3.39 0.02 0.00 4.02 -0.32 0.12 115.29 119.36 2jmb s HIS 47 Ca 0.00 0.66 0.02 0.00 1.02 0.00 0.00 55.06 56.76 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 -0.06 -1.50 1.02 0.00 0.00 174.74 174.20 2jmb s ILE 48 N 1.28 0.43 0.03 0.60 -1.16 0.23 1.00 121.20 123.60 2jmb s ILE 48 Ca 0.20 -0.71 0.04 0.00 -0.51 0.00 0.00 60.65 59.67 2jmb s ILE 48 Cb -0.15 -0.46 -0.02 0.00 0.61 0.00 0.00 42.46 42.45 2jmb s ILE 48 CO 0.08 -0.20 -0.12 0.20 -2.81 0.00 0.00 174.94 172.09 2jmb s ASN 49 N -0.98 1.42 -0.32 4.50 0.01 -1.11 0.21 114.94 118.68 2jmb s ASN 49 Ca -0.06 -0.41 -0.15 0.00 -0.71 0.00 0.00 52.86 51.53 2jmb s ASN 49 Cb -0.07 -0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.48 2jmb s ASN 49 CO 0.00 0.01 0.36 -0.31 -1.51 0.00 0.00 177.10 175.65 2jmb s TYR 50 N -0.81 3.22 -0.66 2.20 2.02 -0.32 -2.25 117.35 120.75 2jmb s TYR 50 Ca 0.00 0.13 -0.06 0.00 -0.37 0.00 0.00 57.07 56.77 2jmb s TYR 50 Cb -0.07 -2.63 0.17 0.00 -0.40 0.00 0.00 41.96 39.03 2jmb s TYR 50 CO 0.01 -0.35 0.51 -0.46 -1.57 0.00 0.00 175.55 173.69 2jmb s TRP 51 N 2.03 3.50 0.65 2.71 -0.00 -0.14 0.12 118.94 127.81 2jmb s TRP 51 Ca 0.13 -2.50 -0.15 0.00 -0.00 0.00 0.00 56.10 53.58 2jmb s TRP 51 Cb -0.16 -3.36 -0.00 0.00 -0.00 0.00 0.00 33.47 29.94 2jmb s TRP 51 CO 0.11 -0.89 1.09 -0.51 -0.00 0.00 0.00 176.95 176.76 2jmb s ASP 52 N 1.15 5.25 0.08 5.86 1.11 0.25 -3.94 116.67 126.43 2jmb s ASP 52 Ca 0.17 1.92 0.26 0.00 0.18 0.00 0.00 52.55 55.07 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 -1.53 1.57 0.47 1.18 0.00 0.00 175.17 176.81 2jmb n ASP 53 N -2.44 0.53 -1.40 0.27 9.92 -1.26 -3.74 116.55 118.43 2jmb n ASP 53 Ca 0.10 0.21 -0.04 0.00 -0.53 0.00 0.00 54.79 54.53 2jmb n ASP 53 Cb 0.52 -0.16 0.15 0.00 -0.64 0.00 0.00 41.12 40.99 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 1.73 -1.47 -3.53 5.66 -1.26 -4.84 114.28 108.70 2jmb n THR 54 Ca 0.05 -0.83 -0.01 0.00 -3.05 0.00 0.00 64.05 60.22 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 0.01 0.39 3.50 1.09 0.00 -1.25 -5.06 105.19 103.87 2jmb n GLY 55 Ca 0.22 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.03 2.26 -0.22 1.61 2.19 -1.25 -5.03 117.98 115.51 2jmb s PHE 56 Ca 0.00 -0.50 -0.24 0.00 0.33 0.00 0.00 56.93 56.52 2jmb s PHE 56 Cb 0.00 -1.22 0.07 0.00 -1.31 0.00 0.00 43.02 40.55 2jmb s PHE 56 CO 0.00 0.55 0.67 0.95 1.83 0.00 0.00 175.22 179.21 2jmb s THR 57 N -2.68 0.00 0.45 0.12 -4.23 -1.25 -0.58 115.64 107.46 2jmb s THR 57 Ca 0.31 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 2jmb s THR 57 Cb 0.01 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.90 2jmb s THR 57 CO 0.15 -0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.31 2jmb s ALA 58 N 0.15 3.35 -0.03 3.99 0.00 0.33 -4.92 121.76 124.63 2jmb s ALA 58 Ca -0.01 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 2jmb s ALA 58 Cb -0.04 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.60 2jmb s ALA 58 CO 0.02 -0.23 0.22 0.16 0.00 0.00 0.00 175.76 175.93 2jmb s ASP 59 N -3.70 -0.12 0.14 0.00 1.47 -1.26 -1.17 116.67 112.02 2jmb s ASP 59 Ca 0.17 0.07 -0.10 0.00 1.18 0.00 0.00 52.55 53.88 2jmb s ASP 59 Cb 0.02 0.32 0.04 0.00 -0.34 0.00 0.00 42.92 42.95 2jmb s ASP 59 CO 0.11 -0.32 0.49 0.61 0.68 0.00 0.00 175.17 176.74 2jmb n GLY 60 N 1.80 1.14 3.63 2.12 0.00 0.57 -1.64 105.19 112.81 2jmb n GLY 60 Ca -0.20 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.19 -0.57 -0.31 1.61 1.47 0.31 -0.60 116.67 116.39 2jmb s ASP 61 Ca 0.11 0.90 -0.28 0.00 1.18 0.00 0.00 52.55 54.45 2jmb s ASP 61 Cb -0.02 1.26 -0.02 0.00 -0.34 0.00 0.00 42.92 43.80 2jmb s ASP 61 CO 0.04 -0.14 1.81 -0.36 0.68 0.00 0.00 175.17 177.20 2jmb s PHE 62 N 1.44 1.78 -0.44 2.11 0.08 0.33 -2.49 117.98 120.78 2jmb s PHE 62 Ca -0.09 0.60 0.23 0.00 0.12 0.00 0.00 56.93 57.79 2jmb s PHE 62 Cb -0.04 -4.11 0.29 0.00 -0.57 0.00 0.00 43.02 38.59 2jmb s PHE 62 CO -0.16 -3.06 1.41 -0.39 -0.10 0.00 0.00 175.22 172.93 2jmb h VAL 63 N 6.78 0.00 -1.81 -0.44 -1.51 -1.87 -3.47 116.25 113.93 2jmb h VAL 63 Ca -0.34 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2jmb h VAL 63 Cb 1.17 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 2jmb h VAL 63 CO 1.02 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 177.12 2jmb n SER 64 N -2.72 0.00 0.07 4.19 2.88 -1.23 -4.99 113.62 111.82 2jmb n SER 64 Ca 0.03 -0.81 -0.02 0.00 -1.33 0.00 0.00 58.87 56.73 2jmb n SER 64 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.59 0.00 -1.46 0.00 -2.02 -3.36 119.26 114.38 2jmb h ALA 65 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2jmb h ALA 65 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jmb h ALA 65 CO 0.00 0.98 0.00 0.09 0.00 0.00 0.00 179.25 180.32 2jmb n ASN 66 N -3.16 0.80 -4.73 0.00 5.03 -1.26 -4.97 115.26 106.97 2jmb n ASN 66 Ca -0.04 -1.01 -0.31 0.00 0.87 0.00 0.00 54.58 54.10 2jmb n ASN 66 Cb 0.86 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.54 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 -0.01 2.76 0.01 3.52 2.12 -1.26 -0.97 118.70 124.88 2jmb s GLU 67 Ca 0.00 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.66 2jmb s GLU 67 Cb 0.00 -2.66 -0.01 0.00 0.26 0.00 0.00 34.13 31.71 2jmb s GLU 67 CO 0.00 0.58 -0.11 -1.17 -0.54 0.00 0.00 175.26 174.02 2jmb s LEU 68 N -2.13 2.09 -0.25 2.70 1.98 0.33 -3.55 118.68 119.84 2jmb s LEU 68 Ca 0.25 -0.29 0.01 0.00 -2.89 0.00 0.00 54.13 51.21 2jmb s LEU 68 Cb -0.12 -0.50 0.07 0.00 0.66 0.00 0.00 46.19 46.30 2jmb s LEU 68 CO 0.18 0.06 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.68 2jmb s HIS 69 N -0.52 2.34 -0.06 5.38 3.76 -1.04 -0.70 115.29 124.45 2jmb s HIS 69 Ca 0.02 -1.81 -0.05 0.00 -0.15 0.00 0.00 55.06 53.07 2jmb s HIS 69 Cb -0.06 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.97 2jmb s HIS 69 CO 0.00 -0.79 0.16 -3.38 -0.85 0.00 0.00 174.74 169.88 2jmb s HIS 70 N 1.41 -0.18 -1.87 1.40 -3.43 -1.12 0.12 115.29 111.62 2jmb s HIS 70 Ca -0.02 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.71 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 -0.12 0.00 0.41 -2.00 0.00 0.00 174.74 172.94 2jmb n GLY 71 N 3.43 1.29 2.03 -1.38 0.00 -0.65 -0.67 105.19 109.24 2jmb n GLY 71 Ca -0.17 0.00 -0.01 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 -0.46 0.38 3.61 -0.02 0.00 -1.26 -5.05 105.19 102.38 2jmb n GLY 72 Ca -0.19 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.30 2.00 -0.29 1.61 1.00 0.15 -5.12 119.30 115.35 2jmb s MET 73 Ca 0.00 -1.82 0.02 0.00 0.00 0.00 0.00 55.69 53.89 2jmb s MET 73 Cb 0.00 -1.85 0.07 0.00 0.00 0.00 0.00 34.83 33.05 2jmb s MET 73 CO 0.00 0.12 -0.04 0.99 0.00 0.00 0.00 175.02 176.10 2jmb s THR 74 N -2.56 2.42 -0.17 2.05 2.01 -1.26 -2.77 115.64 115.37 2jmb s THR 74 Ca 0.34 -1.75 -0.04 0.00 0.31 0.00 0.00 61.69 60.55 2jmb s THR 74 Cb 0.01 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2jmb s THR 74 CO 0.18 -0.20 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.52 2jmb s PHE 75 N 1.09 3.00 0.01 4.92 0.08 0.13 -3.85 117.98 123.36 2jmb s PHE 75 Ca -0.03 -0.41 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 2jmb s PHE 75 Cb -0.20 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2jmb s PHE 75 CO -0.05 -0.13 0.10 0.71 -0.10 0.00 0.00 175.22 175.74 2jmb s TYR 76 N 0.58 3.31 0.19 0.36 1.51 0.26 0.12 117.35 123.68 2jmb s TYR 76 Ca -0.03 0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.94 2jmb s TYR 76 Cb -0.14 -1.73 -0.08 0.00 -0.11 0.00 0.00 41.96 39.89 2jmb s TYR 76 CO 0.03 0.56 1.19 0.50 -1.11 0.00 0.00 175.55 176.71 2jmb s ARG 77 N -1.88 4.50 0.00 -0.62 6.06 -0.14 0.09 118.95 126.97 2jmb s ARG 77 Ca 0.25 1.87 0.00 0.00 -2.50 0.00 0.00 55.73 55.34 2jmb s ARG 77 Cb -0.12 -3.24 0.00 0.00 0.06 0.00 0.00 34.95 31.65 2jmb s ARG 77 CO 0.16 -0.07 0.00 -1.91 -2.50 0.00 0.00 175.30 170.98 2jmb n GLU 78 N 2.43 0.00 -0.61 5.12 0.00 0.74 -4.90 120.64 123.42 2jmb n GLU 78 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 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