#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmc n ALA 2 N 0.00 -3.37 -2.44 4.61 0.00 -1.26 -5.02 120.51 113.03 2jmc n ALA 2 Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 53.44 52.10 2jmc n ALA 2 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 2jmc n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jmc s MET 3 N -2.75 1.04 0.00 0.00 -1.94 -1.26 -5.12 119.30 109.28 2jmc s MET 3 Ca 0.39 -1.30 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 2jmc s MET 3 Cb -0.01 -0.85 0.00 0.00 2.01 0.00 0.00 34.83 35.98 2jmc s MET 3 CO 0.54 0.15 0.00 0.41 -0.01 0.00 0.00 175.02 176.11 2jmc n GLY 4 N 0.34 3.91 0.19 -0.03 0.00 -1.26 -4.77 105.19 103.57 2jmc n GLY 4 Ca -0.14 -1.48 0.05 0.00 0.00 0.00 0.00 46.02 44.45 2jmc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jmc h PRO 5 N 0.00 0.00 -4.12 1.61 0.13 -2.00 -3.39 132.00 124.24 2jmc h PRO 5 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2jmc h PRO 5 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 2jmc h PRO 5 CO 0.00 0.36 -0.73 1.03 -0.23 0.00 0.00 178.00 178.44 2jmc s ARG 6 N -3.86 1.24 -0.12 0.86 0.52 -1.26 -4.95 118.95 111.37 2jmc s ARG 6 Ca -0.01 -1.66 0.01 0.00 -0.52 0.00 0.00 55.73 53.54 2jmc s ARG 6 Cb 0.12 -2.75 0.02 0.00 0.52 0.00 0.00 34.95 32.87 2jmc s ARG 6 CO 0.69 -0.98 -0.12 -1.21 0.02 0.00 0.00 175.30 173.70 2jmc s GLU 7 N 1.03 2.03 -0.23 3.54 2.02 -1.26 0.20 118.70 126.03 2jmc s GLU 7 Ca 0.11 -0.46 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 2jmc s GLU 7 Cb -0.19 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 2jmc s GLU 7 CO -0.13 -0.19 0.08 0.54 0.02 0.00 0.00 175.26 175.57 2jmc s VAL 8 N 1.39 4.53 0.02 2.63 0.11 -1.17 -4.61 120.40 123.30 2jmc s VAL 8 Ca 0.01 -0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 2jmc s VAL 8 Cb -0.13 -3.09 -0.02 0.00 -1.53 0.00 0.00 36.38 31.60 2jmc s VAL 8 CO -0.07 0.37 -0.18 0.42 -3.33 0.00 0.00 175.10 172.31 2jmc s THR 9 N 1.23 1.43 -0.33 5.04 -4.23 -1.26 -0.48 115.64 117.03 2jmc s THR 9 Ca 0.05 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.52 2jmc s THR 9 Cb -0.14 -1.23 0.04 0.00 1.34 0.00 0.00 72.50 72.50 2jmc s THR 9 CO 0.04 0.22 0.08 -0.04 -0.54 0.00 0.00 174.62 174.38 2jmc s MET 10 N -0.89 2.59 -0.20 3.99 -1.94 -1.03 -4.96 119.30 116.85 2jmc s MET 10 Ca 0.06 -1.19 -0.19 0.00 -1.71 0.00 0.00 55.69 52.65 2jmc s MET 10 Cb -0.08 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.33 2jmc s MET 10 CO 0.01 -0.65 0.57 0.21 -0.01 0.00 0.00 175.02 175.15 2jmc s LYS 11 N 1.37 4.19 -0.46 2.03 2.20 -1.26 -1.98 119.74 125.83 2jmc s LYS 11 Ca -0.02 0.50 -0.45 0.00 -0.36 0.00 0.00 55.97 55.64 2jmc s LYS 11 Cb -0.19 -3.58 -0.19 0.00 -1.51 0.00 0.00 37.83 32.36 2jmc s LYS 11 CO 0.02 -0.21 1.77 1.17 -0.36 0.00 0.00 175.35 177.74 2jmc n LYS 12 N 4.98 0.22 -0.71 4.03 4.81 -1.26 -2.62 118.16 127.62 2jmc n LYS 12 Ca -0.03 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2jmc n LYS 12 Cb 0.50 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.92 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 4.91 0.54 3.27 3.14 0.00 -0.46 -5.03 105.19 111.57 2jmc n GLY 13 Ca 0.36 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.83 -0.21 -0.32 1.61 2.15 -1.08 -4.95 116.67 112.03 2jmc s ASP 14 Ca 0.00 0.03 -0.09 0.00 0.43 0.00 0.00 52.55 52.93 2jmc s ASP 14 Cb 0.00 0.35 0.01 0.00 -0.30 0.00 0.00 42.92 42.98 2jmc s ASP 14 CO 0.00 -0.53 0.14 -0.63 -0.17 0.00 0.00 175.17 173.98 2jmc s ILE 15 N -1.81 4.35 -0.14 4.11 1.01 -1.26 -0.10 121.20 127.35 2jmc s ILE 15 Ca -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 2jmc s ILE 15 Cb -0.03 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 2jmc s ILE 15 CO 0.02 -0.01 -0.07 -0.76 0.00 0.00 0.00 174.94 174.11 2jmc s LEU 16 N 1.55 3.08 0.02 2.97 1.02 -0.38 -4.92 118.68 122.02 2jmc s LEU 16 Ca 0.03 -0.19 -0.39 0.00 0.02 0.00 0.00 54.13 53.60 2jmc s LEU 16 Cb -0.18 -1.72 -0.19 0.00 0.02 0.00 0.00 46.19 44.12 2jmc s LEU 16 CO 0.05 0.18 1.10 0.41 0.02 0.00 0.00 176.35 178.11 2jmc n THR 17 N 3.46 0.07 -0.99 5.49 -1.04 -1.17 -2.01 114.28 118.08 2jmc n THR 17 Ca -0.18 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.51 2jmc n THR 17 Cb 0.53 -0.16 -0.02 0.00 -1.82 0.00 0.00 70.33 68.85 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 1.71 5.86 0.00 -4.42 -0.00 0.15 -2.65 117.00 117.65 2jmc n LEU 18 Ca 0.20 -3.33 -0.11 0.00 -0.00 0.00 0.00 56.01 52.77 2jmc n LEU 18 Cb 0.11 -1.25 0.11 0.00 -0.00 0.00 0.00 43.42 42.39 2jmc n LEU 18 CO 0.61 0.87 0.13 0.18 -0.00 0.00 0.00 177.39 179.18 2jmc n LEU 19 N 4.62 0.00 -4.50 -1.96 4.32 -0.03 -4.48 117.00 114.97 2jmc n LEU 19 Ca 0.54 -0.32 -0.41 0.00 -0.02 0.00 0.00 56.01 55.80 2jmc n LEU 19 Cb 0.21 -0.53 -0.13 0.00 -1.62 0.00 0.00 43.42 41.35 2jmc n LEU 19 CO 0.80 -2.09 2.19 -3.20 -1.22 0.00 0.00 177.39 173.86 2jmc n ASN 20 N -1.69 0.64 -2.02 -1.43 5.15 -1.25 -4.36 115.26 110.30 2jmc n ASN 20 Ca 0.05 0.08 -0.15 0.00 -0.60 0.00 0.00 54.58 53.96 2jmc n ASN 20 Cb 0.22 -1.03 0.20 0.00 -0.53 0.00 0.00 39.78 38.65 2jmc n ASN 20 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2jmc n SER 21 N 11.31 4.01 0.02 1.20 7.64 -1.26 -1.73 113.62 134.81 2jmc n SER 21 Ca 0.61 -3.30 -0.10 0.00 1.01 0.00 0.00 58.87 57.08 2jmc n SER 21 Cb 0.11 -0.77 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.47 0.39 -1.79 0.44 1.03 -1.85 -3.40 112.91 109.21 2jmc h THR 22 Ca 0.45 0.00 -0.61 0.00 -0.01 0.00 0.00 66.41 66.24 2jmc h THR 22 Cb 2.49 0.39 -0.00 0.00 -1.07 0.00 0.00 68.15 69.96 2jmc h THR 22 CO 0.87 0.00 1.41 0.59 -0.01 0.00 0.00 175.52 178.38 2jmc n ASN 23 N -5.38 3.07 0.24 0.00 4.13 -1.20 -4.82 115.26 111.30 2jmc n ASN 23 Ca -0.03 0.40 0.08 0.00 1.68 0.00 0.00 54.58 56.70 2jmc n ASN 23 Cb 0.29 -1.46 0.59 0.00 -1.54 0.00 0.00 39.78 37.67 2jmc n ASN 23 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 2jmc h LYS 24 N 13.38 0.00 -0.02 3.52 2.10 -2.00 -1.10 116.57 132.44 2jmc h LYS 24 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2jmc h LYS 24 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2jmc h LYS 24 CO 0.97 0.14 -0.06 -0.25 -2.00 0.00 0.00 179.45 178.26 2jmc n ASP 25 N -4.16 2.31 -3.65 7.07 8.00 -1.26 -4.81 116.55 120.04 2jmc n ASP 25 Ca -0.02 -1.73 -0.05 0.00 0.71 0.00 0.00 54.79 53.70 2jmc n ASP 25 Cb 0.22 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 2jmc n ASP 25 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2jmc s TRP 26 N -2.07 -1.10 -0.28 1.24 0.52 -0.42 -4.16 118.94 112.67 2jmc s TRP 26 Ca 0.30 2.00 -0.07 0.00 0.02 0.00 0.00 56.10 58.36 2jmc s TRP 26 Cb 0.20 0.60 0.00 0.00 -1.15 0.00 0.00 33.47 33.12 2jmc s TRP 26 CO 0.35 -0.58 0.08 -1.58 0.02 0.00 0.00 176.95 175.24 2jmc s TRP 27 N 2.57 3.13 0.26 -1.98 0.52 0.36 -3.27 118.94 120.53 2jmc s TRP 27 Ca -0.05 -0.87 -0.30 0.00 0.02 0.00 0.00 56.10 54.90 2jmc s TRP 27 Cb -0.11 -2.25 -0.10 0.00 -1.15 0.00 0.00 33.47 29.86 2jmc s TRP 27 CO -0.17 -0.53 1.40 0.21 0.02 0.00 0.00 176.95 177.88 2jmc s LYS 28 N 1.52 4.29 -0.07 4.98 2.20 -0.71 -3.06 119.74 128.90 2jmc s LYS 28 Ca 0.03 2.26 -0.07 0.00 -0.36 0.00 0.00 55.97 57.84 2jmc s LYS 28 Cb -0.17 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2jmc s LYS 28 CO 0.02 -0.36 0.20 0.14 -0.36 0.00 0.00 175.35 174.99 2jmc s VAL 29 N -0.21 0.01 0.41 4.02 -7.23 -1.09 -0.85 120.40 115.46 2jmc s VAL 29 Ca 0.57 -0.06 0.08 0.00 -1.81 0.00 0.00 61.98 60.75 2jmc s VAL 29 Cb -0.41 -0.31 -0.00 0.00 0.56 0.00 0.00 36.38 36.22 2jmc s VAL 29 CO 0.45 -0.04 0.50 -0.70 -0.31 0.00 0.00 175.10 175.00 2jmc s GLU 30 N -0.04 2.79 0.00 4.82 2.12 -1.08 -3.65 118.70 123.66 2jmc s GLU 30 Ca -0.01 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.03 2jmc s GLU 30 Cb -0.02 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.71 2jmc s GLU 30 CO 0.00 -0.20 0.00 0.28 -0.54 0.00 0.00 175.26 174.81 2jmc n VAL 31 N -1.73 0.00 0.00 3.70 0.31 -1.21 -3.06 118.33 116.33 2jmc n VAL 31 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2jmc n VAL 31 Cb 0.60 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 2jmc n VAL 31 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2jmc n ASN 32 N -2.77 0.00 0.00 4.52 0.23 -1.26 -4.96 115.26 111.02 2jmc n ASN 32 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2jmc n ASN 32 Cb 0.38 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 2jmc n ASN 32 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2jmc n ASP 33 N -0.09 0.00 -3.66 0.53 2.03 -1.26 -5.13 116.55 108.98 2jmc n ASP 33 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 2jmc n ASP 33 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 2jmc n ASP 33 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jmc n ARG 34 N -1.03 0.76 -3.35 -0.67 1.74 -1.26 -5.04 116.66 107.80 2jmc n ARG 34 Ca 0.00 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 2jmc n ARG 34 Cb 0.00 -0.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.29 2jmc n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jmc n GLN 35 N -1.73 -3.26 -3.91 5.56 10.64 -1.26 -3.36 117.38 120.06 2jmc n GLN 35 Ca 0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 2jmc n GLN 35 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 2jmc n GLN 35 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jmc n GLY 36 N -0.34 -1.08 3.65 2.61 0.00 -1.24 -3.34 105.19 105.45 2jmc n GLY 36 Ca 0.00 -1.21 -0.38 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 -2.98 3.33 0.18 1.61 0.08 -1.26 -2.67 117.98 116.26 2jmc s PHE 37 Ca 0.00 0.44 0.08 0.00 0.12 0.00 0.00 56.93 57.57 2jmc s PHE 37 Cb 0.00 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 2jmc s PHE 37 CO 0.00 -0.03 -0.16 0.14 -0.10 0.00 0.00 175.22 175.07 2jmc s VAL 38 N 1.37 1.74 -0.20 -0.44 -7.23 -1.17 -4.88 120.40 109.58 2jmc s VAL 38 Ca 0.14 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 2jmc s VAL 38 Cb -0.15 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2jmc s VAL 38 CO 0.07 -0.46 1.60 -2.16 -0.31 0.00 0.00 175.10 173.84 2jmc s PRO 39 N -3.21 3.84 0.51 4.82 0.04 -1.26 0.14 135.00 139.89 2jmc s PRO 39 Ca 0.18 1.71 0.22 0.00 0.04 0.00 0.00 61.00 63.15 2jmc s PRO 39 Cb -0.03 -4.02 1.19 0.00 0.04 0.00 0.00 34.50 31.68 2jmc s PRO 39 CO 0.06 -1.23 1.63 0.00 0.04 0.00 0.00 177.00 177.50 2jmc h ALA 40 N 10.53 1.29 0.00 8.56 0.00 -1.87 0.33 119.26 138.09 2jmc h ALA 40 Ca -0.34 0.00 -0.07 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 1.00 -0.29 -0.32 0.00 0.00 0.00 0.00 179.25 179.64 2jmc h ALA 41 N 1.26 1.26 -0.00 0.00 0.00 -1.89 -2.35 119.26 117.53 2jmc h ALA 41 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jmc h ALA 41 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jmc h ALA 41 CO 0.00 0.40 -0.47 0.66 0.00 0.00 0.00 179.25 179.84 2jmc n TYR 42 N -3.85 0.00 -4.54 0.00 4.02 0.11 -4.73 117.16 108.17 2jmc n TYR 42 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 2jmc n TYR 42 Cb 0.40 -0.26 -0.08 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 0.79 -0.29 -0.72 -7.23 -0.88 0.93 120.40 110.01 2jmc s VAL 43 Ca 0.12 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.06 2jmc s VAL 43 Cb 0.18 -2.40 0.16 0.00 0.56 0.00 0.00 36.38 34.87 2jmc s VAL 43 CO 0.69 0.00 1.17 -0.75 -0.31 0.00 0.00 175.10 175.90 2jmc s LYS 44 N -3.76 0.30 0.66 4.82 2.20 -0.40 -4.78 119.74 118.78 2jmc s LYS 44 Ca 0.23 0.40 -0.17 0.00 -0.36 0.00 0.00 55.97 56.07 2jmc s LYS 44 Cb 0.03 0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2jmc s LYS 44 CO 0.13 -0.04 0.93 1.63 -0.36 0.00 0.00 175.35 177.63 2jmc n LYS 45 N 2.37 0.67 -4.23 4.03 5.02 -1.26 -0.10 118.16 124.66 2jmc n LYS 45 Ca -0.13 0.28 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 2jmc n LYS 45 Cb 0.56 -2.16 -0.07 0.00 -0.02 0.00 0.00 35.03 33.34 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 -2.35 3.15 -0.42 -0.35 1.43 -1.19 -4.69 118.68 114.27 2jmc s LEU 46 Ca 0.74 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 2jmc s LEU 46 Cb -0.38 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.31 2jmc s LEU 46 CO 0.49 -0.20 0.25 -1.81 0.23 0.00 0.00 176.35 175.31 2jmc s ASP 47 N -3.76 5.58 -0.14 2.29 1.11 -1.26 -4.88 116.67 115.61 2jmc s ASP 47 Ca 0.35 -1.58 -0.03 0.00 0.18 0.00 0.00 52.55 51.48 2jmc s ASP 47 Cb -0.03 -1.96 -0.07 0.00 1.07 0.00 0.00 42.92 41.92 2jmc s ASP 47 CO 0.21 -0.54 -0.14 -0.24 1.18 0.00 0.00 175.17 175.63 2jmc n SER 48 N 4.88 2.11 -0.21 0.27 2.88 -1.26 -5.05 113.62 117.23 2jmc n SER 48 Ca -0.09 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2jmc n SER 48 Cb 0.43 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2jmc n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jmc n GLY 49 N 2.54 0.94 0.00 0.46 0.00 -1.26 -4.97 105.19 102.90 2jmc n GLY 49 Ca -0.25 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2jmc n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jmc n THR 50 N -2.20 0.00 -0.11 2.61 -2.24 -1.26 -5.03 114.28 106.05 2jmc n THR 50 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2jmc n THR 50 Cb 0.34 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2jmc n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jmc n GLY 51 N 1.80 1.29 3.94 3.38 0.00 -1.26 -5.10 105.19 109.23 2jmc n GLY 51 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.57 3.26 -0.62 1.61 1.02 -1.26 -5.08 119.74 118.11 2jmc s LYS 52 Ca 0.00 -0.88 -0.07 0.00 0.02 0.00 0.00 55.97 55.04 2jmc s LYS 52 Cb 0.00 -2.79 0.16 0.00 -0.52 0.00 0.00 37.83 34.68 2jmc s LYS 52 CO 0.00 0.36 0.48 -1.21 -0.92 0.00 0.00 175.35 174.05 2jmc s GLU 53 N -3.98 2.74 0.28 1.68 2.02 -1.26 -5.01 118.70 115.18 2jmc s GLU 53 Ca 0.36 -2.27 0.09 0.00 0.02 0.00 0.00 54.97 53.16 2jmc s GLU 53 Cb -0.09 -3.93 -0.06 0.00 0.10 0.00 0.00 34.13 30.15 2jmc s GLU 53 CO 0.28 -1.20 -0.11 -0.48 0.02 0.00 0.00 175.26 173.77 2jmc s LEU 54 N 0.44 2.59 -0.17 1.80 0.05 -1.26 0.32 118.68 122.44 2jmc s LEU 54 Ca 0.14 -1.13 -0.06 0.00 0.05 0.00 0.00 54.13 53.13 2jmc s LEU 54 Cb -0.20 -0.84 0.08 0.00 -2.05 0.00 0.00 46.19 43.18 2jmc s LEU 54 CO -0.04 -0.19 0.36 0.68 -0.55 0.00 0.00 176.35 176.60 2jmc s VAL 55 N -2.79 -0.54 0.56 1.48 -7.23 -0.85 -3.16 120.40 107.87 2jmc s VAL 55 Ca 0.29 0.21 -0.16 0.00 -1.81 0.00 0.00 61.98 60.52 2jmc s VAL 55 Cb 0.01 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.32 2jmc s VAL 55 CO 0.13 0.09 1.02 -0.22 -0.31 0.00 0.00 175.10 175.81 2jmc s LEU 56 N 2.51 3.54 -0.37 1.32 0.20 0.86 -1.24 118.68 125.49 2jmc s LEU 56 Ca -0.01 1.68 -0.18 0.00 0.69 0.00 0.00 54.13 56.32 2jmc s LEU 56 Cb -0.12 -4.52 0.00 0.00 -0.43 0.00 0.00 46.19 41.12 2jmc s LEU 56 CO -0.11 -0.89 0.49 0.00 -0.29 0.00 0.00 176.35 175.55 2jmc s ALA 57 N -2.57 3.45 -0.03 5.97 0.00 0.86 -1.27 121.76 128.17 2jmc s ALA 57 Ca 0.61 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.26 2jmc s ALA 57 Cb -0.13 -3.03 -0.32 0.00 0.00 0.00 0.00 23.12 19.64 2jmc s ALA 57 CO 0.35 -1.33 0.80 -0.07 0.00 0.00 0.00 175.76 175.51 2jmc h LEU 58 N 9.10 0.63 -9.66 0.00 3.38 0.25 -1.21 115.31 117.80 2jmc h LEU 58 Ca -0.28 -0.92 -0.60 0.00 0.09 0.00 0.00 57.88 56.17 2jmc h LEU 58 Cb 1.12 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 2jmc h LEU 58 CO 0.78 1.66 -0.56 -0.31 0.09 0.00 0.00 178.44 180.10 2jmc s TYR 59 N -2.54 2.07 -0.07 1.13 2.02 -0.70 -4.77 117.35 114.49 2jmc s TYR 59 Ca -0.14 -0.93 -0.18 0.00 -0.37 0.00 0.00 57.07 55.45 2jmc s TYR 59 Cb 0.04 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 2jmc s TYR 59 CO 0.87 0.16 0.50 0.16 -1.57 0.00 0.00 175.55 175.66 2jmc s ASP 60 N -3.70 6.78 0.13 2.29 1.47 -1.26 -4.01 116.67 118.37 2jmc s ASP 60 Ca 0.24 0.93 -0.01 0.00 1.18 0.00 0.00 52.55 54.88 2jmc s ASP 60 Cb 0.06 -2.30 -0.04 0.00 -0.34 0.00 0.00 42.92 40.30 2jmc s ASP 60 CO 0.12 0.08 0.05 -0.47 0.68 0.00 0.00 175.17 175.63 2jmc s TYR 61 N 0.14 0.85 -0.20 2.11 6.14 -0.84 -4.97 117.35 120.58 2jmc s TYR 61 Ca 0.27 -1.22 -0.07 0.00 0.64 0.00 0.00 57.07 56.69 2jmc s TYR 61 Cb -0.16 -0.48 0.09 0.00 0.42 0.00 0.00 41.96 41.83 2jmc s TYR 61 CO 0.12 -0.50 0.42 -1.14 0.64 0.00 0.00 175.55 175.09 2jmc s GLN 62 N -4.04 0.32 0.22 4.97 2.00 -1.26 -2.47 119.66 119.41 2jmc s GLN 62 Ca 0.23 1.00 0.09 0.00 -2.00 0.00 0.00 55.36 54.69 2jmc s GLN 62 Cb 0.07 0.29 -0.04 0.00 0.80 0.00 0.00 33.01 34.13 2jmc s GLN 62 CO 0.01 -0.28 -0.04 -2.00 -0.50 0.00 0.00 175.29 172.48 2jmc s GLU 63 N 2.61 2.20 -0.42 1.67 -6.30 0.36 -4.99 118.70 113.83 2jmc s GLU 63 Ca -0.01 -1.33 0.02 0.00 -2.50 0.00 0.00 54.97 51.15 2jmc s GLU 63 Cb -0.12 -2.17 0.13 0.00 0.00 0.00 0.00 34.13 31.96 2jmc s GLU 63 CO -0.13 0.40 0.21 -1.54 0.02 0.00 0.00 175.26 174.23 2jmc s SER 64 N -3.26 3.74 0.01 -1.70 1.04 -1.26 -3.05 113.70 109.22 2jmc s SER 64 Ca 0.28 -2.49 0.00 0.00 0.48 0.00 0.00 55.95 54.23 2jmc s SER 64 Cb -0.08 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 65.00 2jmc s SER 64 CO 0.18 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2jmc n GLY 65 N 3.73 -3.35 2.94 7.32 0.00 0.54 -4.75 105.19 111.62 2jmc n GLY 65 Ca 0.07 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 0.28 0.42 -4.17 1.61 2.03 -1.21 -4.88 116.55 110.63 2jmc n ASP 66 Ca 0.00 0.34 -0.29 0.00 0.52 0.00 0.00 54.79 55.36 2jmc n ASP 66 Cb 0.00 -0.79 -0.17 0.00 -0.72 0.00 0.00 41.12 39.45 2jmc n ASP 66 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jmc s ASN 67 N 6.67 2.60 0.28 1.67 4.22 -1.26 -4.93 114.94 124.19 2jmc s ASN 67 Ca 1.12 -0.45 -0.30 0.00 -2.14 0.00 0.00 52.86 51.09 2jmc s ASN 67 Cb -1.18 -0.97 -0.13 0.00 1.28 0.00 0.00 41.25 40.25 2jmc s ASN 67 CO 0.49 0.15 1.33 0.00 -2.04 0.00 0.00 177.10 177.03 2jmc n ALA 68 N 3.36 1.03 -2.07 3.54 0.00 -1.26 -4.36 120.51 120.74 2jmc n ALA 68 Ca -0.19 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 2jmc n ALA 68 Cb 0.53 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.67 2jmc n ALA 68 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jmc s PRO 69 N -1.05 2.50 0.00 0.00 0.04 -1.26 -4.67 135.00 130.56 2jmc s PRO 69 Ca 0.63 -1.19 0.29 0.00 0.04 0.00 0.00 61.00 60.76 2jmc s PRO 69 Cb -0.63 -5.25 1.22 0.00 0.04 0.00 0.00 34.50 29.88 2jmc s PRO 69 CO 0.55 -3.99 1.85 0.43 0.04 0.00 0.00 177.00 175.89 2jmc n SER 70 N 14.35 0.55 -4.25 6.66 7.64 -1.26 -4.88 113.62 132.43 2jmc n SER 70 Ca 0.45 -0.67 -0.19 0.00 1.01 0.00 0.00 58.87 59.47 2jmc n SER 70 Cb 0.47 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.43 1.68 0.59 1.43 -0.85 -1.26 -5.15 117.35 111.36 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 -0.04 0.00 0.38 0.00 0.00 41.96 41.50 2jmc s TYR 71 CO 0.46 -0.30 1.06 -1.54 -1.52 0.00 0.00 175.55 173.72 2jmc s SER 72 N -3.40 5.79 0.52 -0.18 1.04 -1.26 -5.02 113.70 111.18 2jmc s SER 72 Ca 0.35 1.83 -0.21 0.00 0.48 0.00 0.00 55.95 58.41 2jmc s SER 72 Cb 0.07 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.59 2jmc s SER 72 CO 0.15 -1.16 1.14 -2.16 0.98 0.00 0.00 173.24 172.19 2jmc s PRO 73 N -4.03 3.48 0.60 4.02 0.04 -1.26 -5.02 135.00 132.84 2jmc s PRO 73 Ca 0.64 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 63.17 2jmc s PRO 73 Cb -0.16 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2jmc s PRO 73 CO 0.36 -0.75 1.12 -1.25 0.04 0.00 0.00 177.00 176.52 2jmc s PRO 74 N -3.10 3.08 0.04 0.56 0.04 -1.26 -4.98 135.00 129.37 2jmc s PRO 74 Ca 0.70 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.94 2jmc s PRO 74 Cb -0.25 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2jmc s PRO 74 CO 0.29 -1.05 1.42 -1.25 0.04 0.00 0.00 177.00 176.45 2jmc s PRO 75 N -3.69 4.29 1.02 0.56 0.04 -1.26 -4.98 135.00 130.98 2jmc s PRO 75 Ca 0.70 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 2jmc s PRO 75 Cb -0.22 -3.48 0.20 0.00 0.04 0.00 0.00 34.50 31.03 2jmc s PRO 75 CO 0.34 -0.54 1.09 -1.25 0.04 0.00 0.00 177.00 176.68 2jmc s PRO 76 N 2.03 0.29 0.00 0.56 0.04 -1.26 -5.15 135.00 131.51 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 -1.72 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 0.00 177.00 175.50