#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 3.46 0.00 4.61 0.00 -1.26 -4.98 121.76 123.59 2jmc s ALA 2 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2jmc s ALA 2 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2jmc s ALA 2 CO 0.00 -0.42 0.00 -0.12 0.00 0.00 0.00 175.76 175.22 2jmc n MET 3 N 1.19 0.00 -1.25 0.00 1.56 -1.26 -5.00 117.12 112.35 2jmc n MET 3 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.44 2jmc n MET 3 Cb 0.43 -0.11 -0.01 0.00 2.15 0.00 0.00 33.22 35.69 2jmc n MET 3 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2jmc n GLY 4 N 3.00 -3.78 0.00 -5.12 0.00 -1.26 -3.92 105.19 94.11 2jmc n GLY 4 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.12 2jmc n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jmc n PRO 5 N -2.51 0.49 -1.51 1.61 -0.04 -1.26 -2.76 135.00 129.02 2jmc n PRO 5 Ca -0.01 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.06 2jmc n PRO 5 Cb 0.40 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2jmc n PRO 5 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jmc n ARG 6 N -0.85 0.21 -2.89 0.54 5.12 -1.26 -2.47 116.66 115.06 2jmc n ARG 6 Ca 0.08 -0.01 -0.43 0.00 -1.93 0.00 0.00 57.85 55.57 2jmc n ARG 6 Cb 0.04 -1.89 -0.05 0.00 -1.16 0.00 0.00 32.46 29.40 2jmc n ARG 6 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2jmc s GLU 7 N 8.80 3.66 -0.15 5.56 1.03 -1.26 -2.17 118.70 134.17 2jmc s GLU 7 Ca 1.28 0.27 -0.17 0.00 0.03 0.00 0.00 54.97 56.38 2jmc s GLU 7 Cb -1.02 -3.86 -0.04 0.00 -0.80 0.00 0.00 34.13 28.41 2jmc s GLU 7 CO 0.44 -1.01 0.43 0.54 -1.33 0.00 0.00 175.26 174.33 2jmc s VAL 8 N 3.38 5.21 0.00 1.83 0.11 -0.99 -4.73 120.40 125.21 2jmc s VAL 8 Ca 0.34 0.82 0.06 0.00 -2.93 0.00 0.00 61.98 60.26 2jmc s VAL 8 Cb -0.12 -3.76 -0.02 0.00 -1.53 0.00 0.00 36.38 30.95 2jmc s VAL 8 CO 0.21 0.31 -0.18 0.42 -3.33 0.00 0.00 175.10 172.52 2jmc s THR 9 N 0.85 1.41 -0.30 5.04 -4.23 -1.26 -0.12 115.64 117.03 2jmc s THR 9 Ca 0.22 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2jmc s THR 9 Cb -0.15 -1.19 0.06 0.00 1.34 0.00 0.00 72.50 72.56 2jmc s THR 9 CO 0.08 0.31 -0.02 -0.04 -0.54 0.00 0.00 174.62 174.42 2jmc s MET 10 N -0.64 2.30 -0.15 3.99 -1.94 -0.94 -4.95 119.30 116.97 2jmc s MET 10 Ca 0.06 -1.35 -0.19 0.00 -1.71 0.00 0.00 55.69 52.50 2jmc s MET 10 Cb -0.07 -3.13 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 2jmc s MET 10 CO 0.00 -0.65 0.55 0.15 -0.01 0.00 0.00 175.02 175.06 2jmc s LYS 11 N 1.19 4.29 -0.45 2.03 1.02 -1.26 -1.34 119.74 125.22 2jmc s LYS 11 Ca -0.05 0.53 -0.40 0.00 0.02 0.00 0.00 55.97 56.07 2jmc s LYS 11 Cb -0.20 -3.50 -0.17 0.00 -0.52 0.00 0.00 37.83 33.44 2jmc s LYS 11 CO -0.03 -0.01 1.72 1.17 -0.92 0.00 0.00 175.35 177.28 2jmc n LYS 12 N 4.24 0.00 -0.74 1.68 4.81 -1.23 -2.59 118.16 124.32 2jmc n LYS 12 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2jmc n LYS 12 Cb 0.51 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.22 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 5.47 0.81 3.18 3.14 0.00 0.75 -5.00 105.19 113.54 2jmc n GLY 13 Ca 0.41 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.33 -0.29 -0.48 1.61 2.15 -1.07 -4.91 116.67 111.35 2jmc s ASP 14 Ca 0.00 0.53 -0.18 0.00 0.43 0.00 0.00 52.55 53.34 2jmc s ASP 14 Cb 0.00 0.57 0.06 0.00 -0.30 0.00 0.00 42.92 43.24 2jmc s ASP 14 CO 0.00 -0.14 0.52 -0.63 -0.17 0.00 0.00 175.17 174.76 2jmc s ILE 15 N -0.00 5.02 -0.18 4.11 1.01 -1.26 -0.86 121.20 129.03 2jmc s ILE 15 Ca -0.01 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2jmc s ILE 15 Cb -0.02 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 2jmc s ILE 15 CO 0.01 -0.67 0.01 -0.76 0.00 0.00 0.00 174.94 173.53 2jmc s LEU 16 N 2.25 3.45 -0.26 2.97 1.02 -0.44 -4.91 118.68 122.76 2jmc s LEU 16 Ca 0.11 -0.09 -0.43 0.00 0.02 0.00 0.00 54.13 53.75 2jmc s LEU 16 Cb -0.20 -1.86 -0.19 0.00 0.02 0.00 0.00 46.19 43.95 2jmc s LEU 16 CO 0.11 0.13 1.41 0.41 0.02 0.00 0.00 176.35 178.42 2jmc n THR 17 N 3.83 0.03 -1.10 5.49 -1.04 -1.22 -2.43 114.28 117.84 2jmc n THR 17 Ca -0.17 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 2jmc n THR 17 Cb 0.52 -0.43 -0.07 0.00 -1.82 0.00 0.00 70.33 68.53 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 3.15 3.29 0.00 -4.42 -0.00 0.16 -2.64 117.00 116.55 2jmc n LEU 18 Ca 0.26 -2.61 -0.20 0.00 -0.00 0.00 0.00 56.01 53.45 2jmc n LEU 18 Cb 0.03 -1.05 0.20 0.00 -0.00 0.00 0.00 43.42 42.59 2jmc n LEU 18 CO 0.77 -0.90 0.23 0.18 -0.00 0.00 0.00 177.39 177.66 2jmc n LEU 19 N 8.66 0.00 -4.40 -1.96 4.32 0.02 -4.63 117.00 119.01 2jmc n LEU 19 Ca 0.48 -0.58 -0.50 0.00 -0.02 0.00 0.00 56.01 55.39 2jmc n LEU 19 Cb 0.41 -0.71 -0.11 0.00 -1.62 0.00 0.00 43.42 41.39 2jmc n LEU 19 CO 1.03 -2.44 1.94 0.59 -1.22 0.00 0.00 177.39 177.30 2jmc n ASN 20 N -4.21 0.99 -1.96 -1.43 4.13 -1.25 -4.39 115.26 107.13 2jmc n ASN 20 Ca 0.09 0.37 -0.08 0.00 1.68 0.00 0.00 54.58 56.63 2jmc n ASN 20 Cb 0.40 -1.03 0.27 0.00 -1.54 0.00 0.00 39.78 37.87 2jmc n ASN 20 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2jmc n SER 21 N 9.64 4.50 -0.29 6.41 7.64 -1.26 -1.83 113.62 138.42 2jmc n SER 21 Ca 0.55 -3.18 0.08 0.00 1.01 0.00 0.00 58.87 57.33 2jmc n SER 21 Cb 0.08 -0.75 0.23 0.00 -1.01 0.00 0.00 64.21 62.77 2jmc n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmc h THR 22 N 2.25 0.66 -2.67 0.44 1.03 -1.86 -3.39 112.91 109.37 2jmc h THR 22 Ca 0.30 -0.19 -0.56 0.00 -0.01 0.00 0.00 66.41 65.96 2jmc h THR 22 Cb 2.31 0.07 -0.02 0.00 -1.07 0.00 0.00 68.15 69.45 2jmc h THR 22 CO 0.75 0.10 1.14 0.20 -0.01 0.00 0.00 175.52 177.69 2jmc s ASN 23 N -5.36 6.41 0.31 0.00 -0.87 -1.21 -4.88 114.94 109.35 2jmc s ASN 23 Ca -0.12 1.82 0.06 0.00 -1.57 0.00 0.00 52.86 53.05 2jmc s ASN 23 Cb 0.22 -2.53 0.52 0.00 -0.02 0.00 0.00 41.25 39.44 2jmc s ASN 23 CO 0.78 -1.20 1.76 0.11 -2.57 0.00 0.00 177.10 175.97 2jmc h LYS 24 N 10.63 0.32 -0.02 -0.60 1.57 -2.00 -2.38 116.57 124.09 2jmc h LYS 24 Ca -0.36 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2jmc h LYS 24 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2jmc h LYS 24 CO 0.98 0.59 -0.05 -0.25 -0.57 0.00 0.00 179.45 180.15 2jmc n ASP 25 N -4.12 1.84 -3.66 0.86 9.92 -1.26 -4.82 116.55 115.32 2jmc n ASP 25 Ca -0.01 -1.56 -0.06 0.00 -0.53 0.00 0.00 54.79 52.63 2jmc n ASP 25 Cb 0.40 0.03 -0.07 0.00 -0.64 0.00 0.00 41.12 40.85 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 -2.07 -1.01 -0.36 1.24 0.52 -0.90 -4.21 118.94 112.15 2jmc s TRP 26 Ca 0.33 1.89 -0.09 0.00 0.02 0.00 0.00 56.10 58.25 2jmc s TRP 26 Cb 0.20 0.54 0.03 0.00 -1.15 0.00 0.00 33.47 33.09 2jmc s TRP 26 CO 0.36 -0.53 0.16 -1.58 0.02 0.00 0.00 176.95 175.38 2jmc s TRP 27 N 2.33 3.25 0.27 -1.98 0.52 0.36 -3.30 118.94 120.38 2jmc s TRP 27 Ca -0.06 -1.16 -0.31 0.00 0.02 0.00 0.00 56.10 54.59 2jmc s TRP 27 Cb -0.10 -2.37 -0.12 0.00 -1.15 0.00 0.00 33.47 29.73 2jmc s TRP 27 CO -0.16 -0.68 1.62 1.17 0.02 0.00 0.00 176.95 178.91 2jmc n LYS 28 N 4.92 2.67 -3.80 4.98 4.81 -0.76 -3.30 118.16 127.67 2jmc n LYS 28 Ca -0.12 0.95 -0.13 0.00 -0.87 0.00 0.00 58.31 58.15 2jmc n LYS 28 Cb 0.45 -2.75 -0.12 0.00 0.02 0.00 0.00 35.03 32.64 2jmc n LYS 28 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2jmc s VAL 29 N 0.27 -0.00 0.31 3.15 -7.23 -0.78 -0.80 120.40 115.31 2jmc s VAL 29 Ca 0.67 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 2jmc s VAL 29 Cb -0.51 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 2jmc s VAL 29 CO 0.45 0.00 0.51 -0.70 -0.31 0.00 0.00 175.10 175.05 2jmc s GLU 30 N 0.18 3.50 -0.44 4.82 2.12 -1.08 -2.60 118.70 125.20 2jmc s GLU 30 Ca -0.01 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.05 2jmc s GLU 30 Cb -0.02 -2.71 0.24 0.00 0.26 0.00 0.00 34.13 31.90 2jmc s GLU 30 CO -0.00 0.22 0.53 0.28 -0.54 0.00 0.00 175.26 175.75 2jmc n VAL 31 N -1.51 -0.19 0.00 3.70 0.31 0.57 -3.45 118.33 117.75 2jmc n VAL 31 Ca -0.05 -4.16 0.00 0.00 -0.01 0.00 0.00 64.34 60.12 2jmc n VAL 31 Cb 0.56 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2jmc n VAL 31 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2jmc n ASN 32 N 1.52 0.00 0.00 4.52 3.02 -1.26 -1.96 115.26 121.10 2jmc n ASN 32 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2jmc n ASN 32 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 2jmc n ASN 32 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jmc n ASP 33 N 2.20 3.26 -4.54 6.41 8.00 -1.26 -5.02 116.55 125.60 2jmc n ASP 33 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 2jmc n ASP 33 Cb 0.00 0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 41.63 2jmc n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jmc s ARG 34 N -1.32 3.83 0.11 -1.24 0.52 -0.83 -5.00 118.95 115.03 2jmc s ARG 34 Ca 0.00 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 54.86 2jmc s ARG 34 Cb 0.00 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 2jmc s ARG 34 CO 0.00 -0.02 -0.13 -0.65 0.02 0.00 0.00 175.30 174.52 2jmc s GLN 35 N 1.20 0.96 0.00 3.54 -0.21 -1.26 0.21 119.66 124.09 2jmc s GLN 35 Ca 0.05 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.24 2jmc s GLN 35 Cb -0.14 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.08 2jmc s GLN 35 CO 0.04 0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 2jmc n GLY 36 N 0.59 -1.29 3.76 3.09 0.00 -1.07 -3.95 105.19 106.31 2jmc n GLY 36 Ca -0.16 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.07 3.79 0.04 1.61 0.40 -1.26 -1.87 117.98 118.62 2jmc s PHE 37 Ca 0.00 1.51 -0.01 0.00 -0.60 0.00 0.00 56.93 57.82 2jmc s PHE 37 Cb 0.00 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.72 2jmc s PHE 37 CO 0.00 0.36 -0.01 0.14 0.70 0.00 0.00 175.22 176.41 2jmc s VAL 38 N -0.43 0.16 -0.12 -0.44 -7.23 -1.21 -4.90 120.40 106.23 2jmc s VAL 38 Ca 0.37 -1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 58.93 2jmc s VAL 38 Cb -0.21 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 2jmc s VAL 38 CO 0.24 -0.73 1.55 -2.16 -0.31 0.00 0.00 175.10 173.69 2jmc s PRO 39 N -2.67 4.09 0.52 4.82 0.04 -1.26 0.13 135.00 140.68 2jmc s PRO 39 Ca -0.05 1.92 0.24 0.00 0.04 0.00 0.00 61.00 63.16 2jmc s PRO 39 Cb -0.01 -3.95 1.32 0.00 0.04 0.00 0.00 34.50 31.91 2jmc s PRO 39 CO -0.05 -0.93 1.71 0.00 0.04 0.00 0.00 177.00 177.77 2jmc h ALA 40 N 9.52 1.24 0.00 8.56 0.00 -1.86 0.27 119.26 137.00 2jmc h ALA 40 Ca -0.35 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2jmc h ALA 40 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jmc h ALA 40 CO 0.97 -0.24 -0.29 0.00 0.00 0.00 0.00 179.25 179.69 2jmc h ALA 41 N 1.38 1.18 -0.09 0.00 0.00 -1.89 -2.22 119.26 117.62 2jmc h ALA 41 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jmc h ALA 41 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jmc h ALA 41 CO 0.00 0.36 0.00 0.66 0.00 0.00 0.00 179.25 180.27 2jmc n TYR 42 N -3.69 0.10 -4.20 0.00 4.02 0.96 -4.74 117.16 109.60 2jmc n TYR 42 Ca -0.01 -0.05 -0.14 0.00 -0.01 0.00 0.00 57.90 57.69 2jmc n TYR 42 Cb 0.40 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.63 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 -1.90 0.00 -0.26 -0.72 -7.23 -0.83 0.09 120.40 109.55 2jmc s VAL 43 Ca 0.35 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 58.32 2jmc s VAL 43 Cb 0.20 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.75 2jmc s VAL 43 CO 0.31 0.00 0.90 -0.75 -0.31 0.00 0.00 175.10 175.25 2jmc s LYS 44 N -3.92 0.66 0.54 4.82 2.36 -0.29 -4.79 119.74 119.12 2jmc s LYS 44 Ca 0.38 0.69 -0.22 0.00 -2.55 0.00 0.00 55.97 54.27 2jmc s LYS 44 Cb 0.05 0.32 -0.05 0.00 -1.05 0.00 0.00 37.83 37.09 2jmc s LYS 44 CO 0.16 -0.10 1.28 1.63 1.55 0.00 0.00 175.35 179.88 2jmc n LYS 45 N 2.21 1.58 -3.80 4.03 5.02 -1.26 -0.65 118.16 125.28 2jmc n LYS 45 Ca -0.13 0.58 -0.24 0.00 -2.02 0.00 0.00 58.31 56.50 2jmc n LYS 45 Cb 0.56 -2.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 2jmc n LYS 45 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jmc s LEU 46 N -2.99 3.03 -0.38 -0.35 1.43 -1.23 -4.78 118.68 113.40 2jmc s LEU 46 Ca 0.71 -1.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.60 2jmc s LEU 46 Cb -0.43 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2jmc s LEU 46 CO 0.50 -0.85 0.51 -1.81 0.23 0.00 0.00 176.35 174.93 2jmc s ASP 47 N -4.17 6.29 -0.31 2.29 1.11 -1.26 -4.92 116.67 115.70 2jmc s ASP 47 Ca 0.41 -0.20 -0.02 0.00 0.18 0.00 0.00 52.55 52.92 2jmc s ASP 47 Cb -0.01 -2.27 0.10 0.00 1.07 0.00 0.00 42.92 41.81 2jmc s ASP 47 CO 0.24 -0.54 0.11 -0.94 1.18 0.00 0.00 175.17 175.22 2jmc s SER 48 N 1.81 3.85 -0.03 0.27 1.04 -1.26 -5.02 113.70 114.37 2jmc s SER 48 Ca 0.18 -1.59 -0.05 0.00 0.48 0.00 0.00 55.95 54.96 2jmc s SER 48 Cb -0.16 -0.71 -0.23 0.00 0.10 0.00 0.00 66.02 65.02 2jmc s SER 48 CO 0.14 -0.41 3.24 0.61 0.98 0.00 0.00 173.24 177.80 2jmc n GLY 49 N 4.89 2.78 0.00 7.32 0.00 -1.26 -3.32 105.19 115.59 2jmc n GLY 49 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2jmc n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jmc n THR 50 N 2.58 0.00 0.00 2.61 5.66 -1.26 -5.07 114.28 118.80 2jmc n THR 50 Ca 0.38 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.38 2jmc n THR 50 Cb 0.80 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 2jmc n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jmc n GLY 51 N 1.69 0.86 3.47 1.09 0.00 -1.21 -5.15 105.19 105.94 2jmc n GLY 51 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2jmc n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmc s LYS 52 N 0.29 1.65 -0.49 1.61 -0.14 -1.26 -5.11 119.74 116.29 2jmc s LYS 52 Ca 0.00 -1.84 -0.03 0.00 -1.36 0.00 0.00 55.97 52.74 2jmc s LYS 52 Cb 0.00 -1.39 0.13 0.00 -1.68 0.00 0.00 37.83 34.89 2jmc s LYS 52 CO 0.00 0.09 0.30 -1.21 -0.76 0.00 0.00 175.35 173.77 2jmc s GLU 53 N -3.67 2.24 0.32 1.68 2.02 -1.26 -4.92 118.70 115.11 2jmc s GLU 53 Ca 0.30 -2.06 0.08 0.00 0.02 0.00 0.00 54.97 53.31 2jmc s GLU 53 Cb 0.03 -3.66 -0.06 0.00 0.10 0.00 0.00 34.13 30.53 2jmc s GLU 53 CO 0.14 -1.12 -0.06 -0.48 0.02 0.00 0.00 175.26 173.76 2jmc s LEU 54 N 0.74 2.60 -0.22 1.80 0.05 -1.26 0.37 118.68 122.75 2jmc s LEU 54 Ca 0.11 -1.23 -0.09 0.00 0.05 0.00 0.00 54.13 52.97 2jmc s LEU 54 Cb -0.22 -0.79 0.09 0.00 -2.05 0.00 0.00 46.19 43.22 2jmc s LEU 54 CO -0.04 -0.32 0.50 0.68 -0.55 0.00 0.00 176.35 176.62 2jmc s VAL 55 N -2.84 -0.47 0.44 1.48 -7.23 -1.02 -3.57 120.40 107.20 2jmc s VAL 55 Ca 0.32 0.09 -0.15 0.00 -1.81 0.00 0.00 61.98 60.43 2jmc s VAL 55 Cb 0.04 -0.77 -0.08 0.00 0.56 0.00 0.00 36.38 36.13 2jmc s VAL 55 CO 0.15 0.04 0.89 -0.22 -0.31 0.00 0.00 175.10 175.64 2jmc s LEU 56 N 2.23 3.79 -0.41 1.32 0.20 0.17 -1.33 118.68 124.65 2jmc s LEU 56 Ca -0.06 1.43 -0.19 0.00 0.69 0.00 0.00 54.13 56.00 2jmc s LEU 56 Cb -0.10 -4.32 0.02 0.00 -0.43 0.00 0.00 46.19 41.35 2jmc s LEU 56 CO -0.15 -0.45 0.56 0.00 -0.29 0.00 0.00 176.35 176.03 2jmc s ALA 57 N -2.39 3.40 0.09 5.97 0.00 -0.04 -1.13 121.76 127.65 2jmc s ALA 57 Ca 0.57 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2jmc s ALA 57 Cb -0.10 -3.17 -0.25 0.00 0.00 0.00 0.00 23.12 19.59 2jmc s ALA 57 CO 0.26 -1.60 1.17 -0.07 0.00 0.00 0.00 175.76 175.53 2jmc h LEU 58 N 9.39 0.40 -9.60 0.00 3.38 -0.66 0.21 115.31 118.43 2jmc h LEU 58 Ca -0.26 -0.41 -0.59 0.00 0.09 0.00 0.00 57.88 56.70 2jmc h LEU 58 Cb 1.11 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 2jmc h LEU 58 CO 0.84 1.31 -0.51 -0.31 0.09 0.00 0.00 178.44 179.85 2jmc s TYR 59 N -2.72 1.81 -0.23 1.13 2.02 -0.99 -4.78 117.35 113.59 2jmc s TYR 59 Ca -0.04 -1.20 -0.13 0.00 -0.37 0.00 0.00 57.07 55.34 2jmc s TYR 59 Cb 0.07 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 2jmc s TYR 59 CO 0.88 -0.15 0.27 0.34 -1.57 0.00 0.00 175.55 175.31 2jmc s ASP 60 N -3.68 6.26 0.21 2.29 2.15 -1.26 -3.58 116.67 119.06 2jmc s ASP 60 Ca 0.19 0.29 0.05 0.00 0.43 0.00 0.00 52.55 53.50 2jmc s ASP 60 Cb 0.02 -2.16 -0.05 0.00 -0.30 0.00 0.00 42.92 40.43 2jmc s ASP 60 CO 0.12 -0.01 -0.05 -0.47 -0.17 0.00 0.00 175.17 174.58 2jmc s TYR 61 N 1.25 1.52 -0.17 -5.34 6.14 -0.45 -4.98 117.35 115.31 2jmc s TYR 61 Ca 0.13 -0.81 -0.06 0.00 0.64 0.00 0.00 57.07 56.97 2jmc s TYR 61 Cb -0.14 -0.83 0.08 0.00 0.42 0.00 0.00 41.96 41.49 2jmc s TYR 61 CO 0.06 0.07 0.34 -1.14 0.64 0.00 0.00 175.55 175.52 2jmc s GLN 62 N -3.79 0.24 0.03 4.97 -0.44 -1.26 -2.23 119.66 117.18 2jmc s GLN 62 Ca 0.24 0.84 0.06 0.00 -2.50 0.00 0.00 55.36 54.01 2jmc s GLN 62 Cb 0.04 0.06 -0.03 0.00 -1.64 0.00 0.00 33.01 31.44 2jmc s GLN 62 CO 0.06 -0.31 -0.16 -2.00 0.50 0.00 0.00 175.29 173.39 2jmc s GLU 63 N 2.51 2.18 -0.34 1.67 -6.30 0.83 -5.00 118.70 114.25 2jmc s GLU 63 Ca 0.01 -0.92 0.02 0.00 -2.50 0.00 0.00 54.97 51.58 2jmc s GLU 63 Cb -0.12 -2.25 0.09 0.00 0.00 0.00 0.00 34.13 31.85 2jmc s GLU 63 CO -0.11 0.56 0.06 -1.54 0.02 0.00 0.00 175.26 174.25 2jmc s SER 64 N -1.38 4.85 -0.02 -1.70 1.04 -1.26 -2.34 113.70 112.90 2jmc s SER 64 Ca 0.15 -1.97 -0.01 0.00 0.48 0.00 0.00 55.95 54.59 2jmc s SER 64 Cb -0.11 -1.67 0.01 0.00 0.10 0.00 0.00 66.02 64.35 2jmc s SER 64 CO 0.05 -0.39 0.03 0.61 0.98 0.00 0.00 173.24 174.53 2jmc n GLY 65 N 4.38 -3.65 2.77 7.32 0.00 -1.03 -4.73 105.19 110.25 2jmc n GLY 65 Ca -0.01 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2jmc n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jmc n ASP 66 N 0.51 0.41 -4.36 1.61 2.03 -0.92 -4.88 116.55 110.94 2jmc n ASP 66 Ca -0.05 0.33 -0.24 0.00 0.52 0.00 0.00 54.79 55.35 2jmc n ASP 66 Cb 0.08 -0.74 -0.12 0.00 -0.72 0.00 0.00 41.12 39.62 2jmc n ASP 66 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2jmc s ASN 67 N 6.24 2.95 0.27 1.67 2.47 -1.26 -4.71 114.94 122.56 2jmc s ASN 67 Ca 1.05 -0.84 -0.29 0.00 0.42 0.00 0.00 52.86 53.20 2jmc s ASN 67 Cb -1.12 -0.19 -0.09 0.00 -1.45 0.00 0.00 41.25 38.40 2jmc s ASN 67 CO 0.46 0.04 1.01 0.00 -3.72 0.00 0.00 177.10 174.89 2jmc s ALA 68 N -1.77 3.34 -0.99 1.71 0.00 -1.26 -4.05 121.76 118.75 2jmc s ALA 68 Ca 0.16 0.73 -0.24 0.00 0.00 0.00 0.00 51.96 52.61 2jmc s ALA 68 Cb -0.07 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 2jmc s ALA 68 CO 0.07 0.04 1.95 -1.25 0.00 0.00 0.00 175.76 176.57 2jmc s PRO 69 N -1.42 2.53 0.00 0.00 0.04 -1.26 -4.70 135.00 130.18 2jmc s PRO 69 Ca 0.44 -0.54 0.25 0.00 0.04 0.00 0.00 61.00 61.19 2jmc s PRO 69 Cb -0.28 -5.11 0.53 0.00 0.04 0.00 0.00 34.50 29.68 2jmc s PRO 69 CO 0.35 -3.57 1.43 0.43 0.04 0.00 0.00 177.00 175.67 2jmc n SER 70 N 14.15 1.61 -4.25 6.66 7.64 -1.26 -4.94 113.62 133.23 2jmc n SER 70 Ca 0.42 -1.30 -0.19 0.00 1.01 0.00 0.00 58.87 58.81 2jmc n SER 70 Cb 0.47 0.20 -0.10 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.35 1.68 0.62 1.43 -0.85 -1.26 -5.15 117.35 111.47 2jmc s TYR 71 Ca 0.25 -1.19 -0.16 0.00 -0.52 0.00 0.00 57.07 55.46 2jmc s TYR 71 Cb 0.19 -1.01 -0.02 0.00 0.38 0.00 0.00 41.96 41.50 2jmc s TYR 71 CO 0.48 -0.29 1.09 -1.12 -1.52 0.00 0.00 175.55 174.18 2jmc s SER 72 N -3.40 5.46 0.49 -0.18 0.01 -1.26 -5.01 113.70 109.81 2jmc s SER 72 Ca 0.35 1.94 -0.22 0.00 1.31 0.00 0.00 55.95 59.33 2jmc s SER 72 Cb 0.07 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.68 2jmc s SER 72 CO 0.15 -1.39 1.15 -2.16 0.41 0.00 0.00 173.24 171.41 2jmc s PRO 73 N -4.01 3.62 0.58 12.44 0.04 -1.26 -5.01 135.00 141.40 2jmc s PRO 73 Ca 0.66 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 2jmc s PRO 73 Cb -0.19 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 2jmc s PRO 73 CO 0.38 -0.66 1.12 -1.25 0.04 0.00 0.00 177.00 176.63 2jmc s PRO 74 N -2.90 3.18 0.03 0.56 0.04 -1.26 -4.98 135.00 129.67 2jmc s PRO 74 Ca 0.67 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 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 0.32 -0.97 1.43 -1.25 0.04 0.00 0.00 177.00 176.56 2jmc s PRO 75 N -3.55 4.28 1.02 0.56 0.04 -1.26 -4.98 135.00 131.10 2jmc s PRO 75 Ca 0.71 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.65 2jmc s PRO 75 Cb -0.23 -3.52 0.20 0.00 0.04 0.00 0.00 34.50 30.99 2jmc s PRO 75 CO 0.32 -0.57 1.09 -1.25 0.04 0.00 0.00 177.00 176.63 2jmc s PRO 76 N 2.21 0.28 0.00 0.56 0.04 -1.26 -5.15 135.00 131.68 2jmc s PRO 76 Ca 0.65 0.48 0.16 0.00 0.04 0.00 0.00 61.00 62.33 2jmc s PRO 76 Cb -0.33 -1.72 0.93 0.00 0.04 0.00 0.00 34.50 33.41 2jmc s PRO 76 CO 0.28 -2.82 1.34 -0.35 0.04 0.00 0.00 177.00 175.49