#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmc s ALA 2 N 0.00 -0.86 0.00 4.61 0.00 -1.26 -5.06 121.76 119.19 2jmc s ALA 2 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2jmc s ALA 2 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2jmc s ALA 2 CO 0.00 -1.41 0.00 -0.12 0.00 0.00 0.00 175.76 174.23 2jmc n MET 3 N 5.35 0.00 -4.55 0.00 0.00 -1.26 -5.01 117.12 111.65 2jmc n MET 3 Ca -0.03 0.25 -0.26 0.00 0.00 0.00 0.00 57.70 57.67 2jmc n MET 3 Cb 0.49 -0.73 -0.14 0.00 0.00 0.00 0.00 33.22 32.85 2jmc n MET 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2jmc s GLY 4 N -2.26 1.20 0.41 -5.12 0.00 -1.26 -4.95 107.32 95.34 2jmc s GLY 4 Ca 0.00 -1.15 0.20 0.00 0.00 0.00 0.00 44.72 43.77 2jmc s GLY 4 CO 0.00 -1.10 1.83 -0.56 0.00 0.00 0.00 173.10 173.27 2jmc h PRO 5 N 4.58 0.00 -4.14 2.90 0.13 -1.94 -3.37 132.00 130.16 2jmc h PRO 5 Ca -0.44 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.93 2jmc h PRO 5 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 2jmc h PRO 5 CO 0.42 0.30 -0.26 1.03 -0.23 0.00 0.00 178.00 179.27 2jmc s ARG 6 N -3.83 2.87 -0.27 0.86 1.81 -1.26 -4.97 118.95 114.16 2jmc s ARG 6 Ca -0.01 -1.73 -0.07 0.00 -1.72 0.00 0.00 55.73 52.21 2jmc s ARG 6 Cb 0.12 -4.21 -0.00 0.00 -0.45 0.00 0.00 34.95 30.40 2jmc s ARG 6 CO 0.66 -1.30 0.06 -1.83 -0.68 0.00 0.00 175.30 172.22 2jmc s GLU 7 N 1.54 3.30 -0.23 3.54 -1.05 -1.26 -1.19 118.70 123.34 2jmc s GLU 7 Ca 0.04 -0.71 -0.13 0.00 -0.15 0.00 0.00 54.97 54.02 2jmc s GLU 7 Cb -0.29 -3.31 -0.04 0.00 -0.44 0.00 0.00 34.13 30.04 2jmc s GLU 7 CO 0.02 -0.33 0.27 0.54 0.95 0.00 0.00 175.26 176.71 2jmc s VAL 8 N 1.53 5.27 0.08 1.83 0.11 -1.10 -4.79 120.40 123.34 2jmc s VAL 8 Ca 0.04 0.42 0.07 0.00 -2.93 0.00 0.00 61.98 59.58 2jmc s VAL 8 Cb -0.16 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 2jmc s VAL 8 CO 0.02 0.28 -0.19 0.42 -3.33 0.00 0.00 175.10 172.30 2jmc s THR 9 N 1.35 1.54 -0.10 5.04 -4.23 -1.26 0.10 115.64 118.09 2jmc s THR 9 Ca 0.12 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.21 2jmc s THR 9 Cb -0.14 -1.41 -0.03 0.00 1.34 0.00 0.00 72.50 72.26 2jmc s THR 9 CO 0.07 -0.05 -0.02 -0.04 -0.54 0.00 0.00 174.62 174.03 2jmc s MET 10 N -1.72 3.10 -0.23 3.99 -1.94 0.12 -4.92 119.30 117.70 2jmc s MET 10 Ca 0.04 -0.47 -0.01 0.00 -1.71 0.00 0.00 55.69 53.55 2jmc s MET 10 Cb -0.10 -2.78 0.02 0.00 2.01 0.00 0.00 34.83 33.99 2jmc s MET 10 CO 0.03 0.58 -0.10 0.15 -0.01 0.00 0.00 175.02 175.67 2jmc s LYS 11 N -0.55 2.89 -0.49 2.03 -0.14 -1.26 -1.91 119.74 120.32 2jmc s LYS 11 Ca 0.09 -0.93 -0.43 0.00 -1.36 0.00 0.00 55.97 53.34 2jmc s LYS 11 Cb -0.12 -2.86 -0.19 0.00 -1.68 0.00 0.00 37.83 32.99 2jmc s LYS 11 CO 0.02 -0.34 1.99 1.17 -0.76 0.00 0.00 175.35 177.43 2jmc n LYS 12 N 4.65 0.00 -0.44 1.68 4.81 -1.26 -0.43 118.16 127.17 2jmc n LYS 12 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2jmc n LYS 12 Cb 0.48 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.07 2jmc n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jmc n GLY 13 N 6.70 1.58 3.52 3.14 0.00 0.87 -5.00 105.19 115.99 2jmc n GLY 13 Ca 0.49 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 2jmc n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jmc s ASP 14 N -2.23 3.88 -0.43 1.61 -1.08 0.43 -4.90 116.67 113.95 2jmc s ASP 14 Ca 0.00 -0.90 -0.03 0.00 -0.52 0.00 0.00 52.55 51.10 2jmc s ASP 14 Cb 0.00 -0.47 0.12 0.00 -1.46 0.00 0.00 42.92 41.11 2jmc s ASP 14 CO 0.00 0.03 0.23 -0.63 0.52 0.00 0.00 175.17 175.32 2jmc s ILE 15 N -2.40 3.30 -0.25 4.11 1.01 -1.26 -0.60 121.20 125.11 2jmc s ILE 15 Ca 0.30 -2.16 -0.11 0.00 0.00 0.00 0.00 60.65 58.67 2jmc s ILE 15 Cb -0.06 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2jmc s ILE 15 CO 0.16 -0.71 0.21 -0.76 0.00 0.00 0.00 174.94 173.84 2jmc s LEU 16 N 1.00 4.09 -0.16 2.97 1.02 -0.93 -4.90 118.68 121.77 2jmc s LEU 16 Ca 0.09 0.13 -0.42 0.00 0.02 0.00 0.00 54.13 53.96 2jmc s LEU 16 Cb -0.22 -2.17 -0.19 0.00 0.02 0.00 0.00 46.19 43.62 2jmc s LEU 16 CO -0.04 0.01 1.31 0.41 0.02 0.00 0.00 176.35 178.05 2jmc n THR 17 N 4.54 0.02 -1.08 5.49 -1.04 -1.25 -2.61 114.28 118.35 2jmc n THR 17 Ca -0.14 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.45 2jmc n THR 17 Cb 0.52 -0.33 -0.07 0.00 -1.82 0.00 0.00 70.33 68.62 2jmc n THR 17 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jmc n LEU 18 N 2.64 3.19 0.00 -4.42 -0.00 0.14 -2.76 117.00 115.79 2jmc n LEU 18 Ca 0.24 -2.57 -0.19 0.00 -0.00 0.00 0.00 56.01 53.49 2jmc n LEU 18 Cb 0.05 -1.03 0.18 0.00 -0.00 0.00 0.00 43.42 42.63 2jmc n LEU 18 CO 0.71 -0.97 0.21 0.18 -0.00 0.00 0.00 177.39 177.53 2jmc n LEU 19 N 8.74 0.00 -4.42 -1.96 4.32 0.01 -4.62 117.00 119.06 2jmc n LEU 19 Ca 0.48 -0.54 -0.48 0.00 -0.02 0.00 0.00 56.01 55.45 2jmc n LEU 19 Cb 0.41 -0.66 -0.12 0.00 -1.62 0.00 0.00 43.42 41.43 2jmc n LEU 19 CO 1.04 -2.37 2.00 0.59 -1.22 0.00 0.00 177.39 177.43 2jmc n ASN 20 N -4.10 0.84 -1.19 -1.43 4.13 -1.26 -4.41 115.26 107.86 2jmc n ASN 20 Ca 0.09 0.30 0.06 0.00 1.68 0.00 0.00 54.58 56.71 2jmc n ASN 20 Cb 0.37 -1.02 0.25 0.00 -1.54 0.00 0.00 39.78 37.84 2jmc n ASN 20 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2jmc n SER 21 N 9.98 3.45 -0.27 6.41 3.41 -1.26 -2.11 113.62 133.24 2jmc n SER 21 Ca 0.57 -2.33 -0.00 0.00 -0.26 0.00 0.00 58.87 56.84 2jmc n SER 21 Cb 0.08 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 63.58 2jmc n SER 21 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2jmc n THR 22 N 0.66 -0.36 -1.65 6.66 5.66 -1.26 -4.35 114.28 119.64 2jmc n THR 22 Ca 0.18 1.64 -0.35 0.00 -3.05 0.00 0.00 64.05 62.46 2jmc n THR 22 Cb 0.67 -2.17 0.07 0.00 -1.55 0.00 0.00 70.33 67.34 2jmc n THR 22 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2jmc s ASN 23 N -5.24 4.61 -0.14 1.09 -0.87 -1.24 -5.00 114.94 108.14 2jmc s ASN 23 Ca -0.10 2.34 -0.10 0.00 -1.57 0.00 0.00 52.86 53.43 2jmc s ASN 23 Cb 0.15 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 38.75 2jmc s ASN 23 CO 0.50 -1.98 -0.20 0.29 -2.57 0.00 0.00 177.10 173.14 2jmc n LYS 24 N -2.32 0.45 0.00 -0.60 5.02 -1.26 -4.28 118.16 115.17 2jmc n LYS 24 Ca 0.13 0.47 0.09 0.00 -2.02 0.00 0.00 58.31 56.98 2jmc n LYS 24 Cb 0.50 -1.63 0.44 0.00 -0.02 0.00 0.00 35.03 34.33 2jmc n LYS 24 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jmc n ASP 25 N -4.53 0.00 -3.71 4.39 9.92 -1.26 -4.57 116.55 116.78 2jmc n ASP 25 Ca -0.08 0.21 -0.20 0.00 -0.53 0.00 0.00 54.79 54.19 2jmc n ASP 25 Cb 0.30 -0.37 -0.18 0.00 -0.64 0.00 0.00 41.12 40.23 2jmc n ASP 25 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2jmc s TRP 26 N -2.74 0.18 -0.26 1.24 0.52 -1.26 -2.87 118.94 113.74 2jmc s TRP 26 Ca 0.14 0.15 -0.03 0.00 0.02 0.00 0.00 56.10 56.38 2jmc s TRP 26 Cb 0.12 -0.50 0.02 0.00 -1.15 0.00 0.00 33.47 31.96 2jmc s TRP 26 CO 0.31 -0.20 -0.02 -1.58 0.02 0.00 0.00 176.95 175.48 2jmc s TRP 27 N 1.91 3.08 0.24 -1.98 0.52 0.36 -3.66 118.94 119.41 2jmc s TRP 27 Ca 0.02 -1.33 -0.31 0.00 0.02 0.00 0.00 56.10 54.51 2jmc s TRP 27 Cb -0.12 -2.12 -0.11 0.00 -1.15 0.00 0.00 33.47 29.97 2jmc s TRP 27 CO -0.03 -0.67 1.59 0.21 0.02 0.00 0.00 176.95 178.07 2jmc s LYS 28 N 1.39 4.16 -0.06 4.98 2.20 -0.90 -3.26 119.74 128.26 2jmc s LYS 28 Ca 0.01 2.50 -0.06 0.00 -0.36 0.00 0.00 55.97 58.06 2jmc s LYS 28 Cb -0.17 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 2jmc s LYS 28 CO -0.02 -0.62 0.17 0.14 -0.36 0.00 0.00 175.35 174.66 2jmc s VAL 29 N 0.47 0.00 0.44 4.02 -7.23 -0.96 -0.81 120.40 116.32 2jmc s VAL 29 Ca 0.66 -0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2jmc s VAL 29 Cb -0.46 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 2jmc s VAL 29 CO 0.41 -0.00 0.69 -0.70 -0.31 0.00 0.00 175.10 175.18 2jmc s GLU 30 N 0.07 3.31 -0.37 4.82 2.12 -1.11 -2.69 118.70 124.84 2jmc s GLU 30 Ca -0.00 -0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.15 2jmc s GLU 30 Cb -0.01 -2.51 0.15 0.00 0.26 0.00 0.00 34.13 32.02 2jmc s GLU 30 CO 0.00 -0.17 0.27 0.08 -0.54 0.00 0.00 175.26 174.90 2jmc s VAL 31 N -2.58 0.16 0.00 3.70 1.01 0.65 -3.81 120.40 119.53 2jmc s VAL 31 Ca 0.46 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.47 2jmc s VAL 31 Cb -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2jmc s VAL 31 CO 0.40 -1.04 0.00 0.59 0.00 0.00 0.00 175.10 175.05 2jmc n ASN 32 N 3.64 0.00 0.00 3.32 5.03 -1.26 -0.60 115.26 125.38 2jmc n ASN 32 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 2jmc n ASN 32 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 2jmc n ASN 32 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2jmc n ASP 33 N 1.31 0.21 -4.16 6.41 9.92 -1.26 -5.05 116.55 123.94 2jmc n ASP 33 Ca 0.00 -0.96 -0.31 0.00 -0.53 0.00 0.00 54.79 52.99 2jmc n ASP 33 Cb 0.00 0.01 -0.17 0.00 -0.64 0.00 0.00 41.12 40.32 2jmc n ASP 33 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2jmc s ARG 34 N -0.01 2.83 0.29 -1.24 0.52 0.23 -5.02 118.95 116.54 2jmc s ARG 34 Ca 0.00 -0.79 0.08 0.00 -0.52 0.00 0.00 55.73 54.50 2jmc s ARG 34 Cb 0.00 -2.25 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 2jmc s ARG 34 CO 0.00 0.03 -0.09 -0.65 0.02 0.00 0.00 175.30 174.61 2jmc s GLN 35 N 0.71 1.61 0.00 3.54 -0.21 -1.26 0.24 119.66 124.28 2jmc s GLN 35 Ca -0.11 -1.80 0.00 0.00 0.02 0.00 0.00 55.36 53.47 2jmc s GLN 35 Cb -0.16 -1.36 0.00 0.00 1.00 0.00 0.00 33.01 32.49 2jmc s GLN 35 CO 0.01 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 2jmc n GLY 36 N -0.62 0.33 3.71 3.09 0.00 -1.09 -4.22 105.19 106.39 2jmc n GLY 36 Ca -0.06 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2jmc n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jmc s PHE 37 N -2.00 3.63 0.08 1.61 0.08 -1.26 -2.28 117.98 117.84 2jmc s PHE 37 Ca 0.00 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.67 2jmc s PHE 37 Cb 0.00 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.36 2jmc s PHE 37 CO 0.00 -0.01 -0.08 0.14 -0.10 0.00 0.00 175.22 175.17 2jmc s VAL 38 N 1.04 0.70 -0.15 -0.44 -7.23 -1.20 -4.87 120.40 108.25 2jmc s VAL 38 Ca 0.49 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.85 2jmc s VAL 38 Cb -0.20 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 2jmc s VAL 38 CO 0.25 -0.59 1.56 -2.16 -0.31 0.00 0.00 175.10 173.85 2jmc s PRO 39 N -2.66 4.03 0.52 4.82 0.04 -1.26 0.13 135.00 140.62 2jmc s PRO 39 Ca 0.01 1.86 0.25 0.00 0.04 0.00 0.00 61.00 63.16 2jmc s PRO 39 Cb -0.03 -3.96 1.37 0.00 0.04 0.00 0.00 34.50 31.92 2jmc s PRO 39 CO -0.01 -1.01 1.74 0.00 0.04 0.00 0.00 177.00 177.76 2jmc h ALA 40 N 9.77 1.22 0.00 8.56 0.00 -1.79 0.21 119.26 137.22 2jmc h ALA 40 Ca -0.34 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2jmc h ALA 40 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jmc h ALA 40 CO 0.98 -0.22 -0.08 0.00 0.00 0.00 0.00 179.25 179.93 2jmc h ALA 41 N 1.44 1.10 -0.00 0.00 0.00 -1.89 -1.94 119.26 117.97 2jmc h ALA 41 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jmc h ALA 41 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jmc h ALA 41 CO 0.00 0.10 -0.73 0.66 0.00 0.00 0.00 179.25 179.28 2jmc n TYR 42 N -3.33 0.00 -4.56 0.00 4.02 0.73 -4.77 117.16 109.25 2jmc n TYR 42 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.62 2jmc n TYR 42 Cb 0.27 -0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.38 2jmc n TYR 42 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2jmc s VAL 43 N -2.98 0.96 -0.12 -0.72 -7.23 -0.73 0.81 120.40 110.39 2jmc s VAL 43 Ca 0.10 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 2jmc s VAL 43 Cb 0.17 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.73 2jmc s VAL 43 CO 0.77 0.00 0.75 -0.75 -0.31 0.00 0.00 175.10 175.56 2jmc s LYS 44 N -3.79 0.92 0.51 4.82 2.20 -0.19 -4.79 119.74 119.42 2jmc s LYS 44 Ca 0.23 0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 56.05 2jmc s LYS 44 Cb 0.04 0.44 -0.07 0.00 -1.51 0.00 0.00 37.83 36.73 2jmc s LYS 44 CO 0.12 -0.25 1.11 0.15 -0.36 0.00 0.00 175.35 176.12 2jmc s LYS 45 N -0.80 3.54 0.41 4.03 1.02 -1.26 -0.04 119.74 126.63 2jmc s LYS 45 Ca -0.07 1.57 0.05 0.00 0.02 0.00 0.00 55.97 57.54 2jmc s LYS 45 Cb -0.01 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 2jmc s LYS 45 CO 0.06 -0.69 0.03 -0.51 -0.92 0.00 0.00 175.35 173.33 2jmc s LEU 46 N -3.60 2.50 -0.39 3.17 1.43 -1.23 -4.79 118.68 115.78 2jmc s LEU 46 Ca 0.70 -1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 2jmc s LEU 46 Cb -0.23 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.35 2jmc s LEU 46 CO 0.26 -0.61 0.39 -0.62 0.23 0.00 0.00 176.35 176.00 2jmc s ASP 47 N -3.67 6.17 -0.16 2.29 2.15 -1.26 -4.84 116.67 117.35 2jmc s ASP 47 Ca 0.29 -0.58 -0.13 0.00 0.43 0.00 0.00 52.55 52.56 2jmc s ASP 47 Cb 0.07 -2.20 -0.08 0.00 -0.30 0.00 0.00 42.92 40.41 2jmc s ASP 47 CO 0.14 -0.48 -0.03 0.77 -0.17 0.00 0.00 175.17 175.40 2jmc h SER 48 N 8.63 0.00 0.00 -0.34 4.64 -1.98 -3.50 113.55 121.00 2jmc h SER 48 Ca -0.28 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jmc h SER 48 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2jmc h SER 48 CO 0.75 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 178.28 2jmc n GLY 49 N 1.57 3.16 0.11 -0.77 0.00 -1.26 -4.87 105.19 103.13 2jmc n GLY 49 Ca -0.14 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 2jmc n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmc h THR 50 N 0.00 1.07 0.00 2.61 1.03 -2.03 -3.47 112.91 112.11 2jmc h THR 50 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 66.41 65.12 2jmc h THR 50 Cb 0.00 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 2jmc h THR 50 CO 0.00 0.28 0.00 0.61 -0.01 0.00 0.00 175.52 176.40 2jmc n GLY 51 N 0.66 0.00 1.45 2.99 0.00 -1.26 -5.17 105.19 103.86 2jmc n GLY 51 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2jmc n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jmc n LYS 52 N 0.00 -0.01 -3.56 1.61 4.76 -1.26 -5.09 118.16 114.61 2jmc n LYS 52 Ca 0.00 -0.92 -0.29 0.00 -2.87 0.00 0.00 58.31 54.23 2jmc n LYS 52 Cb 0.00 -0.36 -0.14 0.00 -1.84 0.00 0.00 35.03 32.69 2jmc n LYS 52 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2jmc s GLU 53 N -3.69 0.55 0.32 1.97 0.41 -1.26 -4.91 118.70 112.09 2jmc s GLU 53 Ca 0.26 -1.11 0.07 0.00 -0.41 0.00 0.00 54.97 53.79 2jmc s GLU 53 Cb -0.01 -1.49 -0.06 0.00 -1.78 0.00 0.00 34.13 30.78 2jmc s GLU 53 CO 0.18 -1.11 -0.05 -0.48 -0.49 0.00 0.00 175.26 173.31 2jmc s LEU 54 N 1.41 2.59 -0.22 1.80 2.34 -1.26 0.27 118.68 125.61 2jmc s LEU 54 Ca 0.14 -1.24 -0.06 0.00 0.06 0.00 0.00 54.13 53.03 2jmc s LEU 54 Cb -0.20 -0.78 0.11 0.00 -0.56 0.00 0.00 46.19 44.76 2jmc s LEU 54 CO -0.16 -0.33 0.44 0.68 -1.06 0.00 0.00 176.35 175.92 2jmc s VAL 55 N -2.86 -0.69 0.47 1.48 -7.23 -1.07 -3.46 120.40 107.04 2jmc s VAL 55 Ca 0.32 0.10 -0.22 0.00 -1.81 0.00 0.00 61.98 60.37 2jmc s VAL 55 Cb 0.05 -0.74 -0.08 0.00 0.56 0.00 0.00 36.38 36.17 2jmc s VAL 55 CO 0.15 0.02 1.11 -0.22 -0.31 0.00 0.00 175.10 175.85 2jmc s LEU 56 N 2.64 3.94 -0.50 1.32 1.98 0.94 -2.19 118.68 126.80 2jmc s LEU 56 Ca 0.02 2.14 -0.20 0.00 -2.89 0.00 0.00 54.13 53.20 2jmc s LEU 56 Cb -0.13 -4.38 0.05 0.00 0.66 0.00 0.00 46.19 42.39 2jmc s LEU 56 CO -0.14 -0.88 0.65 0.00 -1.89 0.00 0.00 176.35 174.09 2jmc s ALA 57 N -1.72 3.36 0.03 5.97 0.00 0.23 -1.02 121.76 128.61 2jmc s ALA 57 Ca 0.66 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 2jmc s ALA 57 Cb -0.23 -3.37 -0.21 0.00 0.00 0.00 0.00 23.12 19.30 2jmc s ALA 57 CO 0.28 -2.02 1.16 -0.07 0.00 0.00 0.00 175.76 175.11 2jmc h LEU 58 N 9.80 0.59 -9.33 0.00 3.38 0.10 0.25 115.31 120.10 2jmc h LEU 58 Ca -0.27 -0.71 -0.57 0.00 0.09 0.00 0.00 57.88 56.42 2jmc h LEU 58 Cb 1.09 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 2jmc h LEU 58 CO 0.97 1.21 -0.68 -0.31 0.09 0.00 0.00 178.44 179.72 2jmc s TYR 59 N -3.42 2.24 -0.05 1.13 2.02 -0.67 -4.71 117.35 113.89 2jmc s TYR 59 Ca -0.13 -0.58 -0.24 0.00 -0.37 0.00 0.00 57.07 55.75 2jmc s TYR 59 Cb 0.05 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 2jmc s TYR 59 CO 0.83 0.47 0.73 0.34 -1.57 0.00 0.00 175.55 176.34 2jmc s ASP 60 N -3.55 7.04 0.15 2.29 2.15 -1.26 -4.21 116.67 119.28 2jmc s ASP 60 Ca 0.32 1.25 0.02 0.00 0.43 0.00 0.00 52.55 54.57 2jmc s ASP 60 Cb 0.03 -2.43 -0.04 0.00 -0.30 0.00 0.00 42.92 40.18 2jmc s ASP 60 CO 0.15 -0.11 -0.04 -0.47 -0.17 0.00 0.00 175.17 174.52 2jmc s TYR 61 N 0.73 1.14 -0.15 -5.34 6.14 -0.80 -4.93 117.35 114.14 2jmc s TYR 61 Ca 0.39 -0.93 -0.05 0.00 0.64 0.00 0.00 57.07 57.12 2jmc s TYR 61 Cb -0.18 -0.64 0.07 0.00 0.42 0.00 0.00 41.96 41.63 2jmc s TYR 61 CO 0.19 -0.12 0.30 -1.14 0.64 0.00 0.00 175.55 175.43 2jmc s GLN 62 N -3.85 0.20 0.11 4.97 2.00 -1.26 -0.70 119.66 121.12 2jmc s GLN 62 Ca 0.19 0.80 0.08 0.00 -2.00 0.00 0.00 55.36 54.43 2jmc s GLN 62 Cb 0.05 0.05 -0.04 0.00 0.80 0.00 0.00 33.01 33.87 2jmc s GLN 62 CO 0.01 -0.27 -0.16 -2.00 -0.50 0.00 0.00 175.29 172.38 2jmc s GLU 63 N 2.36 1.91 -0.35 1.67 -6.30 0.12 -4.98 118.70 113.13 2jmc s GLU 63 Ca -0.00 -1.11 0.03 0.00 -2.50 0.00 0.00 54.97 51.38 2jmc s GLU 63 Cb -0.12 -2.18 0.10 0.00 0.00 0.00 0.00 34.13 31.93 2jmc s GLU 63 CO -0.10 0.49 0.07 -1.54 0.02 0.00 0.00 175.26 174.20 2jmc s SER 64 N -2.10 4.82 0.08 -1.70 1.04 -1.26 -2.73 113.70 111.85 2jmc s SER 64 Ca 0.19 -2.15 0.00 0.00 0.48 0.00 0.00 55.95 54.47 2jmc s SER 64 Cb -0.11 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.36 2jmc s SER 64 CO 0.11 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2jmc n GLY 65 N 4.28 -4.46 2.76 7.32 0.00 -0.33 -4.35 105.19 110.41 2jmc n GLY 65 Ca 0.03 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2jmc n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jmc n ASP 66 N 0.93 0.40 -4.20 1.61 5.75 -1.22 -4.88 116.55 114.94 2jmc n ASP 66 Ca 0.00 0.33 -0.29 0.00 -0.01 0.00 0.00 54.79 54.82 2jmc n ASP 66 Cb 0.00 -0.74 -0.16 0.00 -1.03 0.00 0.00 41.12 39.19 2jmc n ASP 66 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2jmc s ASN 67 N 6.24 2.58 0.35 -1.12 0.02 -1.26 -4.96 114.94 116.79 2jmc s ASN 67 Ca 1.05 -0.42 -0.28 0.00 -1.02 0.00 0.00 52.86 52.18 2jmc s ASN 67 Cb -1.11 -0.67 -0.10 0.00 0.02 0.00 0.00 41.25 39.38 2jmc s ASN 67 CO 0.46 0.20 1.29 0.00 0.02 0.00 0.00 177.10 179.07 2jmc s ALA 68 N -0.10 3.43 -1.19 0.60 0.00 -1.26 -4.21 121.76 119.03 2jmc s ALA 68 Ca -0.03 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 2jmc s ALA 68 Cb -0.12 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2jmc s ALA 68 CO 0.03 -0.64 1.94 -1.25 0.00 0.00 0.00 175.76 175.83 2jmc s PRO 69 N -1.88 2.48 0.00 0.00 0.04 -1.26 -4.65 135.00 129.73 2jmc s PRO 69 Ca 0.50 -1.18 0.27 0.00 0.04 0.00 0.00 61.00 60.63 2jmc s PRO 69 Cb -0.39 -5.25 0.93 0.00 0.04 0.00 0.00 34.50 29.84 2jmc s PRO 69 CO 0.51 -4.01 1.67 0.43 0.04 0.00 0.00 177.00 175.64 2jmc n SER 70 N 14.43 1.11 -4.25 6.66 7.64 -1.26 -4.91 113.62 133.05 2jmc n SER 70 Ca 0.45 -1.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.06 2jmc n SER 70 Cb 0.47 0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 2jmc n SER 70 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2jmc s TYR 71 N -2.31 1.68 0.61 1.43 -0.85 -1.26 -5.15 117.35 111.50 2jmc s TYR 71 Ca 0.30 -1.19 -0.16 0.00 -0.52 0.00 0.00 57.07 55.50 2jmc s TYR 71 Cb 0.20 -1.01 -0.03 0.00 0.38 0.00 0.00 41.96 41.50 2jmc s TYR 71 CO 0.45 -0.29 1.10 -1.54 -1.52 0.00 0.00 175.55 173.74 2jmc s SER 72 N -3.41 5.48 0.49 -0.18 1.04 -1.26 -5.01 113.70 110.86 2jmc s SER 72 Ca 0.35 1.98 -0.22 0.00 0.48 0.00 0.00 55.95 58.55 2jmc s SER 72 Cb 0.07 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 2jmc s SER 72 CO 0.15 -1.37 1.15 -2.16 0.98 0.00 0.00 173.24 171.99 2jmc s PRO 73 N -3.88 3.60 0.58 4.02 0.04 -1.26 -5.01 135.00 133.08 2jmc s PRO 73 Ca 0.67 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 2jmc s PRO 73 Cb -0.20 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2jmc s PRO 73 CO 0.36 -0.67 1.12 -1.25 0.04 0.00 0.00 177.00 176.61 2jmc s PRO 74 N -2.93 3.19 0.04 0.56 0.04 -1.26 -4.98 135.00 129.65 2jmc s PRO 74 Ca 0.67 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 2jmc s PRO 74 Cb -0.27 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 2jmc s PRO 74 CO 0.31 -0.97 1.42 -1.25 0.04 0.00 0.00 177.00 176.55 2jmc s PRO 75 N -3.54 4.29 1.01 0.56 0.04 -1.26 -4.98 135.00 131.13 2jmc s PRO 75 Ca 0.71 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.65 2jmc s PRO 75 Cb -0.23 -3.48 0.20 0.00 0.04 0.00 0.00 34.50 31.03 2jmc s PRO 75 CO 0.31 -0.55 1.09 -1.25 0.04 0.00 0.00 177.00 176.65 2jmc s PRO 76 N 2.04 0.31 0.00 0.56 0.04 -1.26 -5.16 135.00 131.54 2jmc s PRO 76 Ca 0.65 0.48 0.16 0.00 0.04 0.00 0.00 61.00 62.32 2jmc s PRO 76 Cb -0.34 -1.73 0.93 0.00 0.04 0.00 0.00 34.50 33.41 2jmc s PRO 76 CO 0.28 -2.80 1.34 -0.35 0.04 0.00 0.00 177.00 175.51