#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 -0.96 0.27 4.61 0.00 -1.26 -5.14 121.76 119.28 2jmc s ALA 2 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.19 2jmc s ALA 2 Cb 0.00 0.71 -0.11 0.00 0.00 0.00 0.00 23.12 23.71 2jmc s ALA 2 CO 0.00 -1.01 0.10 -0.12 0.00 0.00 0.00 175.76 174.74 2jmc n MET 3 N -0.55 0.00 -1.98 0.00 1.56 -1.26 -4.79 117.12 110.10 2jmc n MET 3 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 2jmc n MET 3 Cb 0.60 -0.72 0.00 0.00 2.15 0.00 0.00 33.22 35.24 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 1.66 0.06 0.00 -5.12 0.00 -1.26 -4.88 105.19 95.64 2jmc n GLY 4 Ca 0.09 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 0.49 -0.97 1.61 -0.04 -1.26 -4.11 135.00 130.71 2jmc n PRO 5 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2jmc n PRO 5 Cb 0.00 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.00 -2.93 0.54 1.74 -1.26 -2.03 116.66 111.87 2jmc n ARG 6 Ca 0.08 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 2jmc n ARG 6 Cb 0.04 -1.08 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 2jmc n ARG 6 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jmc s GLU 7 N 5.21 3.74 -0.13 5.56 1.03 -1.26 -2.92 118.70 129.94 2jmc s GLU 7 Ca 0.91 0.33 -0.19 0.00 0.03 0.00 0.00 54.97 56.05 2jmc s GLU 7 Cb -1.01 -3.82 -0.04 0.00 -0.80 0.00 0.00 34.13 28.47 2jmc s GLU 7 CO 0.42 -0.89 0.51 0.54 -1.33 0.00 0.00 175.26 174.51 2jmc s VAL 8 N 3.19 5.16 0.05 1.83 0.11 -0.63 -4.74 120.40 125.37 2jmc s VAL 8 Ca 0.33 1.00 0.07 0.00 -2.93 0.00 0.00 61.98 60.45 2jmc s VAL 8 Cb -0.13 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 30.85 2jmc s VAL 8 CO 0.18 0.29 -0.18 0.42 -3.33 0.00 0.00 175.10 172.47 2jmc s THR 9 N 0.82 1.48 -0.29 5.04 -4.23 -1.26 -0.22 115.64 116.98 2jmc s THR 9 Ca 0.27 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 2jmc s THR 9 Cb -0.15 -1.32 0.05 0.00 1.34 0.00 0.00 72.50 72.42 2jmc s THR 9 CO 0.11 0.07 -0.03 -0.04 -0.54 0.00 0.00 174.62 174.20 2jmc s MET 10 N -1.33 2.44 -0.07 3.99 -1.94 -1.19 -4.90 119.30 116.29 2jmc s MET 10 Ca 0.05 -1.25 -0.19 0.00 -1.71 0.00 0.00 55.69 52.59 2jmc s MET 10 Cb -0.09 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 2jmc s MET 10 CO 0.02 -0.59 0.53 0.21 -0.01 0.00 0.00 175.02 175.18 2jmc s LYS 11 N 1.23 4.31 -0.11 2.03 2.20 -1.26 -2.25 119.74 125.90 2jmc s LYS 11 Ca -0.05 0.57 -0.39 0.00 -0.36 0.00 0.00 55.97 55.74 2jmc s LYS 11 Cb -0.19 -3.40 -0.17 0.00 -1.51 0.00 0.00 37.83 32.56 2jmc s LYS 11 CO -0.02 0.24 1.53 1.17 -0.36 0.00 0.00 175.35 177.91 2jmc n LYS 12 N 3.31 1.05 -2.35 4.03 4.81 -1.25 -1.86 118.16 125.89 2jmc n LYS 12 Ca -0.07 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2jmc n LYS 12 Cb 0.51 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.53 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 3.31 0.91 3.08 3.14 0.00 0.59 -4.98 105.19 111.24 2jmc n GLY 13 Ca 0.23 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.95 1.05 -0.10 1.61 -1.08 -0.78 -4.92 116.67 109.50 2jmc s ASP 14 Ca 0.00 -0.50 -0.10 0.00 -0.52 0.00 0.00 52.55 51.43 2jmc s ASP 14 Cb 0.00 -0.00 -0.05 0.00 -1.46 0.00 0.00 42.92 41.41 2jmc s ASP 14 CO 0.00 -0.13 0.22 -0.63 0.52 0.00 0.00 175.17 175.15 2jmc s ILE 15 N -1.17 5.36 -0.04 4.11 1.01 -1.26 -0.61 121.20 128.61 2jmc s ILE 15 Ca -0.06 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.98 2jmc s ILE 15 Cb -0.09 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.91 2jmc s ILE 15 CO 0.01 0.57 0.06 -0.76 0.00 0.00 0.00 174.94 174.82 2jmc s LEU 16 N -0.78 0.45 -0.46 2.97 1.02 -0.40 -4.97 118.68 116.50 2jmc s LEU 16 Ca 0.17 0.09 -0.45 0.00 0.02 0.00 0.00 54.13 53.96 2jmc s LEU 16 Cb -0.13 -0.07 -0.19 0.00 0.02 0.00 0.00 46.19 45.82 2jmc s LEU 16 CO 0.06 -0.21 1.77 0.41 0.02 0.00 0.00 176.35 178.40 2jmc n THR 17 N 4.90 0.05 -1.14 5.49 -1.04 -1.22 -2.66 114.28 118.66 2jmc n THR 17 Ca -0.12 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.58 2jmc n THR 17 Cb 0.50 -0.64 -0.11 0.00 -1.82 0.00 0.00 70.33 68.25 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 5.22 1.48 0.00 -4.42 0.00 0.17 -2.77 117.00 116.67 2jmc n LEU 18 Ca 0.36 -2.15 -0.22 0.00 0.00 0.00 0.00 56.01 54.00 2jmc n LEU 18 Cb -0.02 -1.19 0.21 0.00 0.00 0.00 0.00 43.42 42.43 2jmc n LEU 18 CO 0.88 -2.67 0.26 0.18 0.00 0.00 0.00 177.39 176.05 2jmc n LEU 19 N 14.35 0.00 -4.37 -1.96 4.32 0.25 -4.68 117.00 124.91 2jmc n LEU 19 Ca 0.44 -0.65 -0.52 0.00 -0.02 0.00 0.00 56.01 55.26 2jmc n LEU 19 Cb 0.44 -0.73 -0.11 0.00 -1.62 0.00 0.00 43.42 41.41 2jmc n LEU 19 CO 0.88 -2.45 1.88 0.59 -1.22 0.00 0.00 177.39 177.07 2jmc n ASN 20 N -5.04 1.00 -1.41 -1.43 4.13 -1.25 -4.37 115.26 106.88 2jmc n ASN 20 Ca 0.10 0.44 0.09 0.00 1.68 0.00 0.00 54.58 56.89 2jmc n ASN 20 Cb 0.44 -1.01 0.32 0.00 -1.54 0.00 0.00 39.78 37.98 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 9.15 4.14 -0.31 6.41 3.41 -1.26 -1.74 113.62 133.42 2jmc n SER 21 Ca 0.54 -2.28 0.23 0.00 -0.26 0.00 0.00 58.87 57.10 2jmc n SER 21 Cb 0.06 -0.52 0.43 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.16 -0.39 -2.14 6.66 5.66 -1.26 -4.17 114.28 119.79 2jmc n THR 22 Ca 0.23 1.97 -0.42 0.00 -3.05 0.00 0.00 64.05 62.77 2jmc n THR 22 Cb 0.74 -3.05 -0.03 0.00 -1.55 0.00 0.00 70.33 66.45 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 -4.75 6.76 0.18 1.09 -0.87 -1.22 -4.90 114.94 111.24 2jmc s ASN 23 Ca -0.10 2.09 -0.04 0.00 -1.57 0.00 0.00 52.86 53.24 2jmc s ASN 23 Cb 0.30 -2.54 0.08 0.00 -0.02 0.00 0.00 41.25 39.07 2jmc s ASN 23 CO 0.73 -0.85 1.49 0.11 -2.57 0.00 0.00 177.10 176.01 2jmc h LYS 24 N 8.90 0.61 -0.01 -0.60 1.57 -2.01 -2.91 116.57 122.13 2jmc h LYS 24 Ca -0.36 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 2jmc h LYS 24 Cb 1.16 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2jmc h LYS 24 CO 0.95 0.99 -0.04 -0.25 -0.57 0.00 0.00 179.45 180.53 2jmc n ASP 25 N -3.97 1.46 -3.67 0.86 8.00 -1.26 -4.80 116.55 113.17 2jmc n ASP 25 Ca -0.03 -1.42 -0.08 0.00 0.71 0.00 0.00 54.79 53.97 2jmc n ASP 25 Cb 0.60 0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.08 -0.82 -0.36 1.24 0.52 -1.10 -4.06 118.94 112.29 2jmc s TRP 26 Ca 0.36 1.61 -0.06 0.00 0.02 0.00 0.00 56.10 58.02 2jmc s TRP 26 Cb 0.21 0.39 0.05 0.00 -1.15 0.00 0.00 33.47 32.98 2jmc s TRP 26 CO 0.36 -0.45 0.14 -1.58 0.02 0.00 0.00 176.95 175.44 2jmc s TRP 27 N 2.00 3.30 0.24 -1.98 0.52 0.32 -3.37 118.94 119.97 2jmc s TRP 27 Ca -0.07 -1.55 -0.31 0.00 0.02 0.00 0.00 56.10 54.19 2jmc s TRP 27 Cb -0.09 -2.49 -0.12 0.00 -1.15 0.00 0.00 33.47 29.61 2jmc s TRP 27 CO -0.15 -0.78 1.64 1.17 0.02 0.00 0.00 176.95 178.85 2jmc n LYS 28 N 4.81 2.62 -3.80 4.98 4.81 -0.71 -3.54 118.16 127.33 2jmc n LYS 28 Ca -0.11 0.94 -0.13 0.00 -0.87 0.00 0.00 58.31 58.14 2jmc n LYS 28 Cb 0.44 -2.74 -0.12 0.00 0.02 0.00 0.00 35.03 32.63 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 0.61 -0.01 0.11 3.15 -7.23 -0.91 -0.59 120.40 115.54 2jmc s VAL 29 Ca 0.71 0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.84 2jmc s VAL 29 Cb -0.53 -0.28 -0.06 0.00 0.56 0.00 0.00 36.38 36.07 2jmc s VAL 29 CO 0.40 0.01 0.37 -0.70 -0.31 0.00 0.00 175.10 174.87 2jmc s GLU 30 N 0.24 3.65 -0.57 4.82 -6.30 -1.12 -3.19 118.70 116.23 2jmc s GLU 30 Ca -0.01 -0.02 0.07 0.00 -2.50 0.00 0.00 54.97 52.50 2jmc s GLU 30 Cb -0.02 -2.92 0.25 0.00 0.00 0.00 0.00 34.13 31.43 2jmc s GLU 30 CO -0.01 0.52 0.67 0.28 0.02 0.00 0.00 175.26 176.74 2jmc n VAL 31 N 0.44 1.47 0.00 3.70 0.31 0.37 -3.42 118.33 121.20 2jmc n VAL 31 Ca -0.05 -4.86 0.00 0.00 -0.01 0.00 0.00 64.34 59.42 2jmc n VAL 31 Cb 0.52 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 1.05 0.00 0.00 4.52 3.02 -1.26 -2.21 115.26 120.38 2jmc n ASN 32 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 2jmc n ASN 32 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 2.41 2.87 -4.58 6.41 8.00 -1.26 -4.98 116.55 125.41 2jmc n ASP 33 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 2jmc n ASP 33 Cb 0.00 0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.34 3.93 0.42 -1.24 0.52 -0.94 -4.43 118.95 115.86 2jmc s ARG 34 Ca 0.00 -0.33 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 2jmc s ARG 34 Cb 0.00 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 2jmc s ARG 34 CO 0.00 -0.15 0.13 -0.65 0.02 0.00 0.00 175.30 174.65 2jmc s GLN 35 N 1.64 1.97 0.00 3.54 -0.21 -1.26 0.14 119.66 125.47 2jmc s GLN 35 Ca 0.07 -2.21 0.00 0.00 0.02 0.00 0.00 55.36 53.24 2jmc s GLN 35 Cb -0.16 -0.63 0.00 0.00 1.00 0.00 0.00 33.01 33.22 2jmc s GLN 35 CO 0.09 -0.50 0.00 0.41 -2.12 0.00 0.00 175.29 173.18 2jmc n GLY 36 N -0.94 -0.07 3.81 3.09 0.00 -1.19 -3.96 105.19 105.93 2jmc n GLY 36 Ca -0.07 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.86 3.54 0.04 1.61 0.40 -1.26 -2.14 117.98 117.32 2jmc s PHE 37 Ca 0.00 0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 56.85 2jmc s PHE 37 Cb 0.00 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 2jmc s PHE 37 CO 0.00 0.54 -0.01 0.14 0.70 0.00 0.00 175.22 176.58 2jmc s VAL 38 N -0.45 0.18 -0.12 -0.44 -7.23 -1.23 -4.88 120.40 106.22 2jmc s VAL 38 Ca 0.14 -1.46 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 2jmc s VAL 38 Cb -0.12 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2jmc s VAL 38 CO 0.03 -0.81 1.54 -2.16 -0.31 0.00 0.00 175.10 173.40 2jmc s PRO 39 N -3.06 4.10 0.63 4.82 0.04 -1.26 0.12 135.00 140.39 2jmc s PRO 39 Ca -0.01 1.92 0.31 0.00 0.04 0.00 0.00 61.00 63.26 2jmc s PRO 39 Cb 0.02 -3.94 1.67 0.00 0.04 0.00 0.00 34.50 32.29 2jmc s PRO 39 CO -0.07 -0.92 1.99 0.00 0.04 0.00 0.00 177.00 178.04 2jmc h ALA 40 N 9.47 1.59 0.00 8.56 0.00 -1.87 0.26 119.26 137.26 2jmc h ALA 40 Ca -0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2jmc h ALA 40 Cb 1.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jmc h ALA 40 CO 0.97 -0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.77 2jmc h ALA 41 N 1.50 1.14 -0.00 0.00 0.00 -1.89 -1.38 119.26 118.62 2jmc h ALA 41 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jmc h ALA 41 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jmc h ALA 41 CO -0.00 0.08 -0.56 0.66 0.00 0.00 0.00 179.25 179.44 2jmc n TYR 42 N -3.37 0.00 -4.51 0.00 4.02 0.90 -4.75 117.16 109.45 2jmc n TYR 42 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.62 2jmc n TYR 42 Cb 0.22 -0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.79 0.63 -0.27 -0.72 -7.23 -0.52 0.10 120.40 109.61 2jmc s VAL 43 Ca 0.15 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.06 2jmc s VAL 43 Cb 0.18 -2.37 0.15 0.00 0.56 0.00 0.00 36.38 34.89 2jmc s VAL 43 CO 0.67 0.00 1.18 -0.75 -0.31 0.00 0.00 175.10 175.90 2jmc s LYS 44 N -3.72 0.34 0.34 4.82 2.36 -0.34 -4.77 119.74 118.77 2jmc s LYS 44 Ca 0.25 0.31 -0.29 0.00 -2.55 0.00 0.00 55.97 53.69 2jmc s LYS 44 Cb 0.03 0.17 -0.10 0.00 -1.05 0.00 0.00 37.83 36.87 2jmc s LYS 44 CO 0.15 -0.06 1.38 0.15 1.55 0.00 0.00 175.35 178.51 2jmc s LYS 45 N -0.17 4.27 -0.16 4.03 1.02 -1.26 0.02 119.74 127.49 2jmc s LYS 45 Ca 0.04 2.34 -0.12 0.00 0.02 0.00 0.00 55.97 58.24 2jmc s LYS 45 Cb -0.04 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 2jmc s LYS 45 CO -0.08 -0.32 0.24 -0.51 -0.92 0.00 0.00 175.35 173.77 2jmc s LEU 46 N -1.74 4.25 -0.60 3.17 1.43 -1.21 -4.82 118.68 119.17 2jmc s LEU 46 Ca 0.51 0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 53.79 2jmc s LEU 46 Cb -0.42 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2jmc s LEU 46 CO 0.55 0.14 1.81 -0.62 0.23 0.00 0.00 176.35 178.47 2jmc s ASP 47 N 0.31 5.38 0.00 2.29 2.15 -1.26 -4.66 116.67 120.89 2jmc s ASP 47 Ca 0.14 0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.48 2jmc s ASP 47 Cb -0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2jmc s ASP 47 CO 0.03 -2.29 0.00 -1.20 -0.17 0.00 0.00 175.17 171.54 2jmc n SER 48 N 12.31 2.22 -4.13 -0.34 7.64 -1.26 -5.04 113.62 125.03 2jmc n SER 48 Ca 0.19 -0.18 -0.32 0.00 1.01 0.00 0.00 58.87 59.57 2jmc n SER 48 Cb 0.51 0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 64.48 2jmc n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jmc n GLY 49 N 1.47 -0.33 0.00 0.23 0.00 -1.26 -4.83 105.19 100.47 2jmc n GLY 49 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.59 0.00 0.00 2.61 5.66 -1.26 -5.06 114.28 111.65 2jmc n THR 50 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2jmc n THR 50 Cb 0.67 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 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 2.49 2.32 3.75 1.09 0.00 -1.26 -5.10 105.19 108.48 2jmc n GLY 51 Ca 0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 2.14 -3.02 1.61 4.01 -1.26 -4.93 118.16 116.71 2jmc n LYS 52 Ca 0.00 0.76 -0.44 0.00 -0.51 0.00 0.00 58.31 58.12 2jmc n LYS 52 Cb 0.00 -2.57 -0.04 0.00 -0.51 0.00 0.00 35.03 31.92 2jmc n LYS 52 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2jmc s GLU 53 N -2.41 3.26 0.21 1.97 8.01 -1.26 -5.02 118.70 123.46 2jmc s GLU 53 Ca 0.62 -1.43 0.10 0.00 0.01 0.00 0.00 54.97 54.26 2jmc s GLU 53 Cb -0.46 -4.45 -0.05 0.00 -4.31 0.00 0.00 34.13 24.87 2jmc s GLU 53 CO 0.57 -1.65 -0.20 -0.48 0.01 0.00 0.00 175.26 173.52 2jmc s LEU 54 N 2.77 2.50 -0.14 1.80 0.05 -1.26 0.41 118.68 124.81 2jmc s LEU 54 Ca 0.20 -0.93 -0.08 0.00 0.05 0.00 0.00 54.13 53.37 2jmc s LEU 54 Cb -0.16 -0.97 0.05 0.00 -2.05 0.00 0.00 46.19 43.06 2jmc s LEU 54 CO 0.01 0.01 0.33 0.68 -0.55 0.00 0.00 176.35 176.83 2jmc s VAL 55 N -2.22 -0.03 0.35 1.48 -7.23 -1.09 -3.30 120.40 108.37 2jmc s VAL 55 Ca 0.22 0.10 -0.08 0.00 -1.81 0.00 0.00 61.98 60.41 2jmc s VAL 55 Cb -0.05 -0.49 -0.06 0.00 0.56 0.00 0.00 36.38 36.34 2jmc s VAL 55 CO 0.10 0.04 0.67 -0.22 -0.31 0.00 0.00 175.10 175.38 2jmc s LEU 56 N 1.16 3.94 -0.38 1.32 0.20 0.10 -1.27 118.68 123.75 2jmc s LEU 56 Ca -0.08 0.95 -0.19 0.00 0.69 0.00 0.00 54.13 55.50 2jmc s LEU 56 Cb -0.08 -3.80 0.01 0.00 -0.43 0.00 0.00 46.19 41.88 2jmc s LEU 56 CO -0.09 -0.30 0.55 0.00 -0.29 0.00 0.00 176.35 176.22 2jmc s ALA 57 N -2.22 3.44 0.04 5.97 0.00 0.22 -1.19 121.76 128.02 2jmc s ALA 57 Ca 0.48 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 2jmc s ALA 57 Cb -0.10 -3.10 -0.29 0.00 0.00 0.00 0.00 23.12 19.62 2jmc s ALA 57 CO 0.30 -1.41 1.03 -0.07 0.00 0.00 0.00 175.76 175.61 2jmc h LEU 58 N 9.25 0.48 -9.75 0.00 3.38 0.41 0.17 115.31 119.25 2jmc h LEU 58 Ca -0.27 -0.55 -0.62 0.00 0.09 0.00 0.00 57.88 56.52 2jmc h LEU 58 Cb 1.11 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 2jmc h LEU 58 CO 0.81 1.44 -0.51 -0.31 0.09 0.00 0.00 178.44 179.97 2jmc s TYR 59 N -2.63 1.80 -0.24 1.13 2.02 -0.76 -4.77 117.35 113.89 2jmc s TYR 59 Ca -0.06 -1.16 -0.11 0.00 -0.37 0.00 0.00 57.07 55.36 2jmc s TYR 59 Cb 0.07 -1.36 -0.05 0.00 -0.40 0.00 0.00 41.96 40.22 2jmc s TYR 59 CO 0.88 -0.08 0.18 0.16 -1.57 0.00 0.00 175.55 175.12 2jmc s ASP 60 N -3.75 6.12 0.34 2.29 1.47 -1.26 -3.82 116.67 118.07 2jmc s ASP 60 Ca 0.14 0.12 0.05 0.00 1.18 0.00 0.00 52.55 54.04 2jmc s ASP 60 Cb 0.01 -2.11 -0.07 0.00 -0.34 0.00 0.00 42.92 40.41 2jmc s ASP 60 CO 0.09 0.04 0.04 -0.47 0.68 0.00 0.00 175.17 175.55 2jmc s TYR 61 N 1.15 2.11 -0.21 2.11 6.14 -0.95 -4.98 117.35 122.71 2jmc s TYR 61 Ca 0.08 -0.86 -0.06 0.00 0.64 0.00 0.00 57.07 56.87 2jmc s TYR 61 Cb -0.14 -1.40 0.11 0.00 0.42 0.00 0.00 41.96 40.95 2jmc s TYR 61 CO 0.05 0.14 0.41 -1.14 0.64 0.00 0.00 175.55 175.66 2jmc s GLN 62 N -3.83 0.34 -0.07 4.97 2.00 -1.26 -3.15 119.66 118.65 2jmc s GLN 62 Ca 0.36 0.90 0.03 0.00 -2.00 0.00 0.00 55.36 54.65 2jmc s GLN 62 Cb 0.09 0.12 -0.02 0.00 0.80 0.00 0.00 33.01 34.00 2jmc s GLN 62 CO 0.16 -0.37 -0.17 -2.00 -0.50 0.00 0.00 175.29 172.41 2jmc s GLU 63 N 2.60 2.71 -0.63 1.67 -6.30 0.69 -5.00 118.70 114.44 2jmc s GLU 63 Ca 0.03 -0.75 -0.02 0.00 -2.50 0.00 0.00 54.97 51.73 2jmc s GLU 63 Cb -0.13 -2.38 0.16 0.00 0.00 0.00 0.00 34.13 31.79 2jmc s GLU 63 CO -0.14 0.47 0.44 -1.54 0.02 0.00 0.00 175.26 174.51 2jmc s SER 64 N -0.34 5.13 0.00 -1.70 1.04 -1.26 -1.61 113.70 114.96 2jmc s SER 64 Ca 0.03 -2.96 0.00 0.00 0.48 0.00 0.00 55.95 53.49 2jmc s SER 64 Cb -0.13 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2jmc s SER 64 CO 0.02 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2jmc n GLY 65 N 3.31 -1.95 2.77 7.32 0.00 -0.86 -4.82 105.19 110.97 2jmc n GLY 65 Ca 0.09 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 2jmc n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jmc n ASP 66 N 0.00 0.40 -4.35 1.61 9.92 -1.23 -4.88 116.55 118.02 2jmc n ASP 66 Ca 0.00 0.33 -0.24 0.00 -0.53 0.00 0.00 54.79 54.34 2jmc n ASP 66 Cb 0.00 -0.74 -0.12 0.00 -0.64 0.00 0.00 41.12 39.62 2jmc n ASP 66 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2jmc s ASN 67 N 6.28 2.90 0.26 -2.24 2.47 -1.26 -4.94 114.94 118.42 2jmc s ASN 67 Ca 1.05 -0.82 -0.30 0.00 0.42 0.00 0.00 52.86 53.22 2jmc s ASN 67 Cb -1.11 -0.18 -0.09 0.00 -1.45 0.00 0.00 41.25 38.41 2jmc s ASN 67 CO 0.46 0.04 1.04 0.00 -3.72 0.00 0.00 177.10 174.93 2jmc s ALA 68 N -1.67 3.38 -1.15 1.71 0.00 -1.26 -4.04 121.76 118.73 2jmc s ALA 68 Ca 0.15 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 52.68 2jmc s ALA 68 Cb -0.08 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 2jmc s ALA 68 CO 0.07 -0.03 1.94 -1.25 0.00 0.00 0.00 175.76 176.49 2jmc s PRO 69 N -1.34 2.50 0.00 0.00 0.04 -1.26 -4.67 135.00 130.27 2jmc s PRO 69 Ca 0.43 -1.06 0.27 0.00 0.04 0.00 0.00 61.00 60.69 2jmc s PRO 69 Cb -0.30 -5.22 0.93 0.00 0.04 0.00 0.00 34.50 29.95 2jmc s PRO 69 CO 0.38 -3.91 1.67 0.45 0.04 0.00 0.00 177.00 175.63 2jmc n SER 70 N 14.34 1.13 -4.25 6.66 2.88 -1.26 -4.91 113.62 128.21 2jmc n SER 70 Ca 0.44 -1.09 -0.19 0.00 -1.33 0.00 0.00 58.87 56.70 2jmc n SER 70 Cb 0.47 0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 2jmc n SER 70 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2jmc s TYR 71 N -2.30 1.68 0.59 0.66 -0.85 -1.26 -5.15 117.35 110.71 2jmc s TYR 71 Ca 0.30 -1.19 -0.17 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 41.49 2jmc s TYR 71 CO 0.44 -0.29 1.08 -1.54 -1.52 0.00 0.00 175.55 173.72 2jmc s SER 72 N -3.40 5.66 0.51 -0.18 1.04 -1.26 -5.01 113.70 111.05 2jmc s SER 72 Ca 0.35 1.96 -0.21 0.00 0.48 0.00 0.00 55.95 58.53 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 -1.25 1.14 -2.16 0.98 0.00 0.00 173.24 172.10 2jmc s PRO 73 N -3.80 3.54 0.57 4.02 0.04 -1.26 -5.01 135.00 133.10 2jmc s PRO 73 Ca 0.67 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 63.21 2jmc s PRO 73 Cb -0.19 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2jmc s PRO 73 CO 0.34 -0.71 1.12 -1.25 0.04 0.00 0.00 177.00 176.54 2jmc s PRO 74 N -3.02 3.24 0.04 0.56 0.04 -1.26 -4.98 135.00 129.62 2jmc s PRO 74 Ca 0.69 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.98 2jmc s PRO 74 Cb -0.26 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 2jmc s PRO 74 CO 0.30 -0.93 1.42 -1.25 0.04 0.00 0.00 177.00 176.58 2jmc s PRO 75 N -3.46 4.29 1.01 0.56 0.04 -1.26 -4.99 135.00 131.20 2jmc s PRO 75 Ca 0.71 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.66 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 0.30 -0.54 1.09 -1.25 0.04 0.00 0.00 177.00 176.64 2jmc s PRO 76 N 2.02 0.31 0.00 0.56 0.04 -1.26 -5.16 135.00 131.51 2jmc s PRO 76 Ca 0.65 0.48 0.16 0.00 0.04 0.00 0.00 61.00 62.33 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