#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 2.93 -0.33 0.03 -0.21 -1.26 -4.81 119.66 116.00 2jmb s GLN 2 Ca 0.00 -1.15 -0.01 0.00 0.02 0.00 0.00 55.36 54.22 2jmb s GLN 2 Cb 0.00 -2.65 0.11 0.00 1.00 0.00 0.00 33.01 31.47 2jmb s GLN 2 CO 0.00 0.08 0.15 -1.01 -2.12 0.00 0.00 175.29 172.39 2jmb s HIS 3 N -2.24 1.10 0.90 0.91 3.76 -1.24 -4.92 115.29 113.55 2jmb s HIS 3 Ca 0.43 -1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 53.70 2jmb s HIS 3 Cb -0.08 -1.31 0.13 0.00 1.11 0.00 0.00 32.58 32.43 2jmb s HIS 3 CO 0.29 -0.84 1.09 -2.30 -0.85 0.00 0.00 174.74 172.13 2jmb n PRO 4 N 4.63 -0.34 0.00 8.40 -0.02 -1.26 -4.56 135.00 141.85 2jmb n PRO 4 Ca 0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2jmb n PRO 4 Cb 0.40 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 -4.04 -0.36 -1.77 6.00 4.02 -1.26 -4.96 117.16 114.79 2jmb n TYR 5 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 2jmb n TYR 5 Cb 0.52 0.21 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 -1.92 -5.70 0.00 -0.72 0.31 -1.25 -5.05 118.33 103.99 2jmb n VAL 6 Ca 0.00 2.53 0.00 0.00 -0.01 0.00 0.00 64.34 66.86 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 0.50 4.04 3.40 2.92 0.00 -0.48 -4.87 105.19 110.70 2jmb n GLY 7 Ca 0.00 -0.63 -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 -1.62 4.81 -0.51 -0.61 1.01 -1.26 0.13 121.20 123.15 2jmb s ILE 8 Ca 0.00 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.22 2jmb s ILE 8 Cb 0.00 -4.58 0.03 0.00 0.01 0.00 0.00 42.46 37.92 2jmb s ILE 8 CO 0.00 -1.26 0.90 0.26 0.00 0.00 0.00 174.94 174.84 2jmb s TRP 9 N 2.63 2.87 0.19 3.97 0.52 0.31 0.29 118.94 129.72 2jmb s TRP 9 Ca 0.19 0.12 0.09 0.00 0.02 0.00 0.00 56.10 56.51 2jmb s TRP 9 Cb -0.17 -3.95 -0.04 0.00 -1.15 0.00 0.00 33.47 28.15 2jmb s TRP 9 CO 0.02 -1.20 -0.06 0.08 0.02 0.00 0.00 176.95 175.80 2jmb s VAL 10 N 3.74 3.32 0.77 4.03 1.01 0.53 -0.24 120.40 133.57 2jmb s VAL 10 Ca 0.32 -1.66 -0.13 0.00 0.00 0.00 0.00 61.98 60.51 2jmb s VAL 10 Cb -0.12 -2.67 0.20 0.00 0.00 0.00 0.00 36.38 33.78 2jmb s VAL 10 CO 0.22 -0.15 0.57 0.35 0.00 0.00 0.00 175.10 176.09 2jmb n THR 11 N -0.13 0.00 0.17 3.92 -2.24 -1.12 0.11 114.28 114.98 2jmb n THR 11 Ca -0.10 -0.16 0.11 0.00 -2.27 0.00 0.00 64.05 61.64 2jmb n THR 11 Cb 0.56 -0.88 0.10 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.66 0.79 0.00 6.98 0.00 -1.94 -3.34 119.26 119.09 2jmb h ALA 12 Ca -0.23 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 2jmb h ALA 12 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2jmb h ALA 12 CO 0.15 0.04 -1.98 -0.25 0.00 0.00 0.00 179.25 177.20 2jmb n ASP 13 N -2.94 1.11 0.00 0.00 8.00 -1.26 -5.01 116.55 116.44 2jmb n ASP 13 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2jmb n ASP 13 Cb 0.55 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 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 1.86 1.20 0.10 0.44 0.00 -1.25 -4.98 105.19 102.55 2jmb n GLY 14 Ca -0.18 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.00 1.61 -0.00 -1.95 -3.46 114.38 106.58 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 0.80 -0.64 0.96 -0.00 0.00 0.00 179.97 181.09 2jmb s ILE 16 N -3.04 0.15 -0.02 0.08 -5.25 -1.26 -3.24 121.20 108.62 2jmb s ILE 16 Ca 0.01 -1.25 0.01 0.00 -0.99 0.00 0.00 60.65 58.43 2jmb s ILE 16 Cb 0.10 -0.86 0.02 0.00 2.95 0.00 0.00 42.46 44.67 2jmb s ILE 16 CO 0.79 -0.69 -0.01 -0.60 -1.79 0.00 0.00 174.94 172.64 2jmb s ARG 17 N -2.60 0.31 -0.24 0.37 3.52 -1.13 -2.81 118.95 116.38 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 -0.02 -0.41 0.05 0.00 -1.56 0.00 0.00 34.95 33.01 2jmb s ARG 17 CO -0.05 -0.06 -0.13 -1.14 -0.81 0.00 0.00 175.30 173.11 2jmb s GLN 18 N 0.62 2.48 -0.17 5.12 0.74 0.67 0.77 119.66 129.89 2jmb s GLN 18 Ca -0.06 -1.18 -0.18 0.00 0.05 0.00 0.00 55.36 53.99 2jmb s GLN 18 Cb -0.09 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.17 2jmb s GLN 18 CO -0.01 -0.46 0.47 -2.00 -0.55 0.00 0.00 175.29 172.74 2jmb s GLU 19 N 1.17 4.24 -0.40 1.67 2.12 0.32 0.11 118.70 127.93 2jmb s GLU 19 Ca -0.05 0.36 -0.20 0.00 0.36 0.00 0.00 54.97 55.45 2jmb s GLU 19 Cb -0.18 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2jmb s GLU 19 CO -0.07 -0.01 0.59 -0.51 -0.54 0.00 0.00 175.26 174.71 2jmb s LEU 20 N 1.20 4.44 0.75 2.70 1.43 0.36 0.99 118.68 130.55 2jmb s LEU 20 Ca 0.23 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 2jmb s LEU 20 Cb -0.15 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.45 2jmb s LEU 20 CO 0.09 -0.64 1.13 -0.76 0.23 0.00 0.00 176.35 176.39 2jmb s LEU 21 N 2.62 3.17 0.25 1.79 1.02 0.35 -1.38 118.68 126.50 2jmb s LEU 21 Ca 0.21 2.03 0.20 0.00 0.02 0.00 0.00 54.13 56.59 2jmb s LEU 21 Cb -0.15 -4.55 0.95 0.00 0.02 0.00 0.00 46.19 42.46 2jmb s LEU 21 CO 0.16 -2.10 1.60 -2.65 0.02 0.00 0.00 176.35 173.38 2jmb n PRO 22 N -3.12 0.14 -0.61 1.29 -0.02 -1.26 -1.41 135.00 130.01 2jmb n PRO 22 Ca 0.11 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 2jmb n PRO 22 Cb 0.52 -1.85 0.28 0.00 -0.02 0.00 0.00 33.50 32.42 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 -2.13 4.22 -2.95 2.55 5.15 -1.26 -4.88 115.26 115.97 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 38.81 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 0.42 -0.20 3.32 8.20 0.00 -0.50 -4.90 105.19 111.54 2jmb n GLY 24 Ca 0.19 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.50 0.45 -4.04 1.61 5.12 -1.16 -4.38 116.66 110.76 2jmb n ARG 25 Ca -0.23 -3.45 -0.12 0.00 -1.93 0.00 0.00 57.85 52.12 2jmb n ARG 25 Cb 0.64 2.58 -0.11 0.00 -1.16 0.00 0.00 32.46 34.40 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 -3.32 0.58 -0.21 -1.55 -0.85 -1.22 0.13 117.35 110.90 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 0.02 -0.36 0.11 0.00 0.38 0.00 0.00 41.96 42.11 2jmb s TYR 26 CO 0.25 -0.11 0.30 -0.51 -1.52 0.00 0.00 175.55 173.97 2jmb s ASP 27 N -1.54 0.75 -0.16 -0.18 1.11 0.28 -2.45 116.67 114.47 2jmb s ASP 27 Ca -0.11 0.08 -0.07 0.00 0.18 0.00 0.00 52.55 52.62 2jmb s ASP 27 Cb -0.10 0.76 -0.04 0.00 1.07 0.00 0.00 42.92 44.61 2jmb s ASP 27 CO 0.00 -0.30 0.08 -0.70 1.18 0.00 0.00 175.17 175.42 2jmb s GLU 28 N 2.44 3.76 -0.29 8.23 2.12 -0.82 0.12 118.70 134.26 2jmb s GLU 28 Ca 0.09 -0.29 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 -0.13 0.44 -0.02 0.00 -0.54 0.00 0.00 175.26 175.01 2jmb s ALA 29 N -0.09 2.47 0.09 6.30 0.00 0.23 -2.58 121.76 128.17 2jmb s ALA 29 Ca 0.08 -1.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.05 2jmb s ALA 29 Cb -0.12 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 2jmb s ALA 29 CO 0.01 -1.42 0.29 1.03 0.00 0.00 0.00 175.76 175.67 2jmb s ARG 30 N 1.14 3.53 0.18 0.00 0.52 -1.05 -2.85 118.95 120.41 2jmb s ARG 30 Ca 0.01 -0.24 -0.33 0.00 -0.52 0.00 0.00 55.73 54.65 2jmb s ARG 30 Cb -0.19 -2.96 -0.15 0.00 0.52 0.00 0.00 34.95 32.16 2jmb s ARG 30 CO -0.08 0.55 1.26 0.41 0.02 0.00 0.00 175.30 177.46 2jmb n GLY 31 N 0.32 0.32 2.40 -3.53 0.00 -1.20 -0.34 105.19 103.16 2jmb n GLY 31 Ca -0.05 0.55 -0.18 0.00 0.00 0.00 0.00 46.02 46.34 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 2.16 -5.07 -2.66 1.61 5.15 -1.26 -4.77 115.26 110.42 2jmb n ASN 32 Ca 0.15 0.16 -0.03 0.00 -0.60 0.00 0.00 54.58 54.26 2jmb n ASN 32 Cb 0.26 -4.32 0.10 0.00 -0.53 0.00 0.00 39.78 35.28 2jmb n ASN 32 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2jmb n ARG 33 N -2.73 0.18 -1.41 1.20 3.00 0.54 -5.16 116.66 112.28 2jmb n ARG 33 Ca -0.20 -0.75 -0.29 0.00 -0.00 0.00 0.00 57.85 56.61 2jmb n ARG 33 Cb 0.64 -0.16 0.14 0.00 0.00 0.00 0.00 32.46 33.09 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 0.05 1.00 -0.75 -0.14 0.00 -0.87 -2.55 119.74 116.48 2jmb s LYS 34 Ca 0.18 0.41 0.00 0.00 0.00 0.00 0.00 55.97 56.56 2jmb s LYS 34 Cb 0.26 -1.81 0.00 0.00 0.00 0.00 0.00 37.83 36.28 2jmb s LYS 34 CO -0.17 -2.32 0.00 0.43 0.00 0.00 0.00 175.35 173.29 2jmb n SER 35 N -3.87 -2.98 0.00 0.03 7.64 -1.18 -4.81 113.62 108.46 2jmb n SER 35 Ca 0.06 0.28 -0.09 0.00 1.01 0.00 0.00 58.87 60.13 2jmb n SER 35 Cb 0.58 -2.60 -0.03 0.00 -1.01 0.00 0.00 64.21 61.15 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 1.01 -0.09 -2.54 -0.43 0.00 -1.54 -3.45 119.26 112.23 2jmb h ALA 36 Ca -0.20 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2jmb h ALA 36 Cb 1.11 0.31 -0.18 0.00 0.00 0.00 0.00 17.79 19.03 2jmb h ALA 36 CO 0.24 -0.61 -0.27 0.71 0.00 0.00 0.00 179.25 179.32 2jmb s TYR 37 N -6.14 -0.13 -0.08 0.00 1.51 -1.25 -5.07 117.35 106.19 2jmb s TYR 37 Ca -0.14 0.08 -0.31 0.00 -1.01 0.00 0.00 57.07 55.69 2jmb s TYR 37 Cb 0.10 0.09 0.08 0.00 -0.11 0.00 0.00 41.96 42.12 2jmb s TYR 37 CO 0.67 -0.45 0.74 -0.65 -1.11 0.00 0.00 175.55 174.75 2jmb s GLN 38 N -2.03 0.97 0.00 -0.62 -0.21 -1.26 -1.94 119.66 114.57 2jmb s GLN 38 Ca -0.09 0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.58 2jmb s GLN 38 Cb -0.03 0.46 0.00 0.00 1.00 0.00 0.00 33.01 34.44 2jmb s GLN 38 CO -0.00 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 2jmb n GLY 39 N 0.98 0.76 3.46 3.09 0.00 -1.03 -4.56 105.19 107.89 2jmb n GLY 39 Ca -0.17 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 3.06 1.30 0.06 1.61 3.03 -1.26 -3.40 118.95 123.35 2jmb s ARG 40 Ca 0.00 -0.88 0.01 0.00 2.03 0.00 0.00 55.73 56.89 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 -0.06 1.52 -1.13 0.00 0.00 175.30 175.10 2jmb s TYR 41 N -3.88 0.67 -0.12 5.89 1.13 -1.26 -1.15 117.35 118.63 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 -0.41 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 2jmb s TYR 41 CO -0.04 -0.18 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.59 2jmb s GLU 42 N -2.85 3.03 -0.19 -3.49 2.12 -0.90 -3.72 118.70 112.70 2jmb s GLU 42 Ca 0.01 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.39 2jmb s GLU 42 Cb -0.01 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 2jmb s GLU 42 CO -0.04 0.07 0.08 0.08 -0.54 0.00 0.00 175.26 174.92 2jmb s VAL 43 N 0.61 4.95 -0.43 3.70 1.01 -1.26 -2.73 120.40 126.25 2jmb s VAL 43 Ca -0.12 0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2jmb s VAL 43 Cb -0.17 -3.24 0.16 0.00 0.00 0.00 0.00 36.38 33.13 2jmb s VAL 43 CO 0.03 0.45 0.32 -0.60 0.00 0.00 0.00 175.10 175.30 2jmb s ARG 44 N 0.40 1.04 -0.76 2.72 3.52 0.34 -4.86 118.95 121.36 2jmb s ARG 44 Ca 0.04 -2.08 -0.03 0.00 -0.13 0.00 0.00 55.73 53.54 2jmb s ARG 44 Cb -0.12 -1.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.58 2jmb s ARG 44 CO -0.00 -1.32 0.65 0.41 -0.81 0.00 0.00 175.30 174.22 2jmb n GLY 45 N 3.05 0.02 2.39 8.12 0.00 -1.26 -2.67 105.19 114.85 2jmb n GLY 45 Ca 0.23 -0.13 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 -3.44 0.00 -2.68 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 52.98 2jmb n ALA 46 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.36 3.40 0.02 0.00 4.02 -1.09 0.51 115.29 119.80 2jmb s HIS 47 Ca 0.00 0.66 -0.05 0.00 1.02 0.00 0.00 55.06 56.70 2jmb s HIS 47 Cb 0.00 -2.53 -0.01 0.00 -1.02 0.00 0.00 32.58 29.02 2jmb s HIS 47 CO 0.00 0.02 0.07 -1.50 1.02 0.00 0.00 174.74 174.35 2jmb s ILE 48 N 1.21 0.12 0.07 0.60 -1.16 -1.07 0.13 121.20 121.10 2jmb s ILE 48 Ca 0.20 -0.97 0.04 0.00 -0.51 0.00 0.00 60.65 59.42 2jmb s ILE 48 Cb -0.15 -0.64 -0.03 0.00 0.61 0.00 0.00 42.46 42.25 2jmb s ILE 48 CO 0.08 -0.53 -0.12 0.20 -2.81 0.00 0.00 174.94 171.75 2jmb s ASN 49 N -1.79 1.53 -0.32 4.50 0.01 -1.11 0.16 114.94 117.91 2jmb s ASN 49 Ca -0.10 -0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 51.28 2jmb s ASN 49 Cb -0.05 -0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.56 2jmb s ASN 49 CO -0.02 -0.13 0.22 -0.31 -1.51 0.00 0.00 177.10 175.35 2jmb s TYR 50 N -1.53 3.22 -0.68 2.20 2.02 0.77 -2.11 117.35 121.24 2jmb s TYR 50 Ca -0.01 -0.16 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 2jmb s TYR 50 Cb -0.09 -2.45 0.18 0.00 -0.40 0.00 0.00 41.96 39.20 2jmb s TYR 50 CO 0.02 -0.32 0.53 -0.46 -1.57 0.00 0.00 175.55 173.74 2jmb s TRP 51 N 1.72 3.50 0.77 2.71 -0.00 -0.30 0.46 118.94 127.80 2jmb s TRP 51 Ca 0.06 -2.52 -0.12 0.00 -0.00 0.00 0.00 56.10 53.53 2jmb s TRP 51 Cb -0.17 -3.37 0.06 0.00 -0.00 0.00 0.00 33.47 29.99 2jmb s TRP 51 CO 0.10 -0.88 1.11 -0.51 -0.00 0.00 0.00 176.95 176.78 2jmb s ASP 52 N 1.09 4.35 0.09 5.86 1.11 0.31 -4.00 116.67 125.48 2jmb s ASP 52 Ca 0.17 1.97 0.26 0.00 0.18 0.00 0.00 52.55 55.13 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 -2.14 1.57 0.47 1.18 0.00 0.00 175.17 176.20 2jmb n ASP 53 N -3.32 0.54 -1.49 0.27 8.00 -1.26 -3.72 116.55 115.56 2jmb n ASP 53 Ca 0.10 0.22 -0.05 0.00 0.71 0.00 0.00 54.79 55.77 2jmb n ASP 53 Cb 0.52 -0.17 0.16 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.88 1.90 -1.69 -3.53 5.66 -1.26 -4.85 114.28 108.64 2jmb n THR 54 Ca 0.05 -0.93 -0.02 0.00 -3.05 0.00 0.00 64.05 60.10 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 -0.05 0.38 3.52 1.09 0.00 -1.24 -5.05 105.19 103.84 2jmb n GLY 55 Ca 0.25 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 2.37 -0.22 1.61 2.19 -1.25 -5.02 117.98 115.55 2jmb s PHE 56 Ca 0.00 -0.47 -0.26 0.00 0.33 0.00 0.00 56.93 56.53 2jmb s PHE 56 Cb 0.00 -1.29 0.07 0.00 -1.31 0.00 0.00 43.02 40.50 2jmb s PHE 56 CO 0.00 0.61 0.74 0.95 1.83 0.00 0.00 175.22 179.34 2jmb s THR 57 N -2.60 0.00 -0.07 0.12 -4.23 -1.25 -0.53 115.64 107.08 2jmb s THR 57 Ca 0.32 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 2jmb s THR 57 Cb 0.01 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.89 2jmb s THR 57 CO 0.16 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.37 2jmb s ALA 58 N -0.00 -0.07 0.28 3.99 0.00 0.17 -4.92 121.76 121.20 2jmb s ALA 58 Ca -0.02 0.48 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 2jmb s ALA 58 Cb -0.04 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.31 2jmb s ALA 58 CO 0.03 -0.48 0.59 0.16 0.00 0.00 0.00 175.76 176.05 2jmb s ASP 59 N 2.09 6.56 0.00 0.00 -4.77 -1.26 0.27 116.67 119.56 2jmb s ASP 59 Ca 0.02 0.91 0.00 0.00 -3.30 0.00 0.00 52.55 50.17 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 -0.05 -0.16 0.00 0.61 0.70 0.00 0.00 175.17 176.27 2jmb n GLY 60 N -0.55 2.92 3.64 2.12 0.00 0.42 -3.07 105.19 110.67 2jmb n GLY 60 Ca 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.33 -0.54 -0.44 1.61 -4.77 0.29 -2.58 116.67 109.91 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 1.16 0.02 0.00 -1.09 0.00 0.00 42.92 43.01 2jmb s ASP 61 CO 0.00 -0.14 1.30 -0.36 0.70 0.00 0.00 175.17 176.66 2jmb s PHE 62 N 1.16 2.58 -0.72 2.11 0.08 0.18 -1.75 117.98 121.62 2jmb s PHE 62 Ca -0.07 0.70 0.25 0.00 0.12 0.00 0.00 56.93 57.93 2jmb s PHE 62 Cb -0.04 -4.35 0.58 0.00 -0.57 0.00 0.00 43.02 38.64 2jmb s PHE 62 CO -0.14 -1.68 1.53 1.33 -0.10 0.00 0.00 175.22 176.16 2jmb n VAL 63 N 6.96 0.41 -3.91 -0.44 0.24 -1.22 -4.89 118.33 115.47 2jmb n VAL 63 Ca 0.15 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 62.09 2jmb n VAL 63 Cb 0.48 -0.30 -0.00 0.00 -1.47 0.00 0.00 33.84 32.55 2jmb n VAL 63 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jmb s SER 64 N -4.20 0.29 0.33 -1.34 0.15 -1.17 -4.96 113.70 102.81 2jmb s SER 64 Ca 0.09 -1.22 0.15 0.00 0.70 0.00 0.00 55.95 55.66 2jmb s SER 64 Cb 0.14 0.77 0.56 0.00 -1.71 0.00 0.00 66.02 65.78 2jmb s SER 64 CO 0.66 -1.52 1.70 0.00 1.20 0.00 0.00 173.24 175.27 2jmb h ALA 65 N 2.04 1.02 0.00 5.45 0.00 -2.02 -3.27 119.26 122.48 2jmb h ALA 65 Ca -0.30 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2jmb h ALA 65 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jmb h ALA 65 CO 0.39 0.59 0.00 0.09 0.00 0.00 0.00 179.25 180.32 2jmb n ASN 66 N -3.68 0.70 -4.69 0.00 5.03 -1.26 -4.94 115.26 106.41 2jmb n ASN 66 Ca -0.01 -0.86 -0.34 0.00 0.87 0.00 0.00 54.58 54.24 2jmb n ASN 66 Cb 0.54 0.25 -0.09 0.00 -1.02 0.00 0.00 39.78 39.46 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 -0.25 2.93 0.02 3.52 2.12 -1.23 -0.95 118.70 124.86 2jmb s GLU 67 Ca 0.00 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 54.91 2jmb s GLU 67 Cb 0.00 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 2jmb s GLU 67 CO 0.00 0.68 -0.16 -1.17 -0.54 0.00 0.00 175.26 174.07 2jmb s LEU 68 N -1.17 2.11 -0.25 2.70 1.98 0.27 -3.04 118.68 121.28 2jmb s LEU 68 Ca 0.16 -0.39 0.01 0.00 -2.89 0.00 0.00 54.13 51.02 2jmb s LEU 68 Cb -0.11 -0.76 0.07 0.00 0.66 0.00 0.00 46.19 46.04 2jmb s LEU 68 CO 0.06 0.13 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.63 2jmb s HIS 69 N -0.62 2.32 -0.04 5.38 3.76 -0.72 -0.71 115.29 124.66 2jmb s HIS 69 Ca 0.05 -1.79 -0.03 0.00 -0.15 0.00 0.00 55.06 53.14 2jmb s HIS 69 Cb -0.07 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.97 2jmb s HIS 69 CO 0.01 -0.79 0.11 -3.38 -0.85 0.00 0.00 174.74 169.84 2jmb s HIS 70 N 1.42 -0.12 -1.73 1.40 -3.43 -1.10 0.10 115.29 111.83 2jmb s HIS 70 Ca -0.02 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.55 2jmb s HIS 70 Cb -0.19 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.96 2jmb s HIS 70 CO -0.09 -0.08 0.00 0.41 -2.00 0.00 0.00 174.74 172.98 2jmb n GLY 71 N 3.38 1.05 2.04 -1.38 0.00 -1.17 -0.44 105.19 108.66 2jmb n GLY 71 Ca -0.17 0.00 -0.02 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 -0.49 0.40 3.63 -0.02 0.00 -1.26 -5.05 105.19 102.40 2jmb n GLY 72 Ca -0.18 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.15 2.06 -0.30 1.61 1.00 0.42 -5.12 119.30 115.83 2jmb s MET 73 Ca 0.00 -1.77 0.01 0.00 0.00 0.00 0.00 55.69 53.93 2jmb s MET 73 Cb 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 34.83 32.99 2jmb s MET 73 CO 0.00 0.12 -0.03 0.99 0.00 0.00 0.00 175.02 176.11 2jmb s THR 74 N -2.53 2.52 -0.20 2.05 2.01 -1.26 -2.72 115.64 115.50 2jmb s THR 74 Ca 0.35 -1.71 -0.04 0.00 0.31 0.00 0.00 61.69 60.59 2jmb s THR 74 Cb 0.00 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 2jmb s THR 74 CO 0.19 -0.20 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.54 2jmb s PHE 75 N 1.12 2.99 -0.10 4.92 0.08 0.11 -3.82 117.98 123.28 2jmb s PHE 75 Ca -0.03 -0.64 -0.05 0.00 0.12 0.00 0.00 56.93 56.33 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 -0.04 -0.35 0.08 0.71 -0.10 0.00 0.00 175.22 175.52 2jmb s TYR 76 N 1.13 3.41 0.56 0.36 1.51 0.31 0.96 117.35 125.58 2jmb s TYR 76 Ca 0.02 0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 56.26 2jmb s TYR 76 Cb -0.15 -1.87 -0.07 0.00 -0.11 0.00 0.00 41.96 39.77 2jmb s TYR 76 CO 0.00 0.62 0.94 -2.13 -1.11 0.00 0.00 175.55 173.87 2jmb n ARG 77 N 1.99 0.99 0.00 -0.62 3.00 -0.12 -0.34 116.66 121.55 2jmb n ARG 77 Ca -0.19 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 2jmb n ARG 77 Cb 0.54 -2.10 0.00 0.00 0.00 0.00 0.00 32.46 30.90 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 -0.63 0.00 0.00 -0.14 1.02 0.84 -4.72 120.64 117.01 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 0.36 1.18 0.00 0.00 177.13 178.67