#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 1.13 0.37 4.61 0.00 -1.26 -5.13 121.76 121.48 2jmc s ALA 2 Ca 0.00 -2.16 -0.21 0.00 0.00 0.00 0.00 51.96 49.59 2jmc s ALA 2 Cb 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 23.12 21.40 2jmc s ALA 2 CO 0.00 -2.03 0.89 0.00 0.00 0.00 0.00 175.76 174.62 2jmc s MET 3 N 0.49 4.25 0.37 0.00 0.00 -1.26 -4.98 119.30 118.17 2jmc s MET 3 Ca 0.27 1.05 -0.15 0.00 0.00 0.00 0.00 55.69 56.86 2jmc s MET 3 Cb -0.07 -2.39 -0.12 0.00 0.00 0.00 0.00 34.83 32.25 2jmc s MET 3 CO -0.11 0.09 -0.05 0.41 0.00 0.00 0.00 175.02 175.36 2jmc n GLY 4 N -0.27 -2.41 0.18 3.16 0.00 -1.26 -4.83 105.19 99.76 2jmc n GLY 4 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.07 0.00 -4.25 1.61 0.13 -1.93 -3.40 132.00 124.22 2jmc h PRO 5 Ca -0.31 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.19 2jmc h PRO 5 Cb 1.13 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 2jmc h PRO 5 CO 0.34 0.41 -0.74 -0.98 -0.23 0.00 0.00 178.00 176.80 2jmc s ARG 6 N -3.88 1.20 -0.33 0.86 1.70 -1.26 -4.95 118.95 112.29 2jmc s ARG 6 Ca -0.02 -1.54 -0.10 0.00 -0.47 0.00 0.00 55.73 53.60 2jmc s ARG 6 Cb 0.13 -2.72 0.00 0.00 -0.57 0.00 0.00 34.95 31.79 2jmc s ARG 6 CO 0.71 -0.94 0.16 -1.83 -1.08 0.00 0.00 175.30 172.32 2jmc s GLU 7 N 1.19 3.16 -0.16 3.89 -1.05 -1.26 0.44 118.70 124.92 2jmc s GLU 7 Ca 0.10 -0.84 -0.13 0.00 -0.15 0.00 0.00 54.97 53.94 2jmc s GLU 7 Cb -0.18 -3.61 -0.05 0.00 -0.44 0.00 0.00 34.13 29.85 2jmc s GLU 7 CO -0.14 -0.51 0.28 0.54 0.95 0.00 0.00 175.26 176.38 2jmc s VAL 8 N 1.59 5.31 -0.14 1.83 0.11 0.42 -4.85 120.40 124.67 2jmc s VAL 8 Ca 0.04 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 2jmc s VAL 8 Cb -0.18 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.08 2jmc s VAL 8 CO 0.06 0.41 -0.11 0.42 -3.33 0.00 0.00 175.10 172.55 2jmc s THR 9 N 0.36 1.34 -0.14 5.04 -4.23 -1.26 0.11 115.64 116.86 2jmc s THR 9 Ca 0.16 -0.50 -0.28 0.00 -1.18 0.00 0.00 61.69 59.89 2jmc s THR 9 Cb -0.13 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.40 2jmc s THR 9 CO 0.04 0.41 0.97 -0.04 -0.54 0.00 0.00 174.62 175.45 2jmc s MET 10 N 1.58 4.37 -0.17 3.99 -1.94 -1.06 -4.90 119.30 121.17 2jmc s MET 10 Ca 0.05 1.30 -0.12 0.00 -1.71 0.00 0.00 55.69 55.20 2jmc s MET 10 Cb -0.13 -3.56 -0.05 0.00 2.01 0.00 0.00 34.83 33.10 2jmc s MET 10 CO -0.10 -0.36 0.22 0.21 -0.01 0.00 0.00 175.02 174.98 2jmc s LYS 11 N 2.21 4.15 -0.30 2.03 2.20 -1.26 -1.48 119.74 127.29 2jmc s LYS 11 Ca 0.45 -0.03 -0.35 0.00 -0.36 0.00 0.00 55.97 55.68 2jmc s LYS 11 Cb -0.17 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.64 2jmc s LYS 11 CO 0.15 0.32 2.13 1.17 -0.36 0.00 0.00 175.35 178.76 2jmc n LYS 12 N 3.37 1.28 -0.89 4.03 4.81 -1.26 -1.26 118.16 128.24 2jmc n LYS 12 Ca -0.14 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 2jmc n LYS 12 Cb 0.52 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.04 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 6.09 1.17 3.20 3.14 0.00 0.92 -4.99 105.19 114.71 2jmc n GLY 13 Ca 0.37 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.40 2.26 -0.37 1.61 2.15 -0.39 -4.90 116.67 114.64 2jmc s ASP 14 Ca 0.00 -0.37 -0.21 0.00 0.43 0.00 0.00 52.55 52.40 2jmc s ASP 14 Cb 0.00 -0.24 0.01 0.00 -0.30 0.00 0.00 42.92 42.38 2jmc s ASP 14 CO 0.00 0.22 0.66 -0.63 -0.17 0.00 0.00 175.17 175.25 2jmc s ILE 15 N -0.50 4.86 -0.10 4.11 1.01 -1.26 -1.06 121.20 128.26 2jmc s ILE 15 Ca 0.07 0.56 0.02 0.00 0.00 0.00 0.00 60.65 61.30 2jmc s ILE 15 Cb -0.08 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2jmc s ILE 15 CO -0.00 -0.37 -0.15 -0.76 0.00 0.00 0.00 174.94 173.66 2jmc s LEU 16 N 2.78 2.63 0.01 2.97 1.02 -0.32 -4.93 118.68 122.84 2jmc s LEU 16 Ca 0.25 -0.33 -0.37 0.00 0.02 0.00 0.00 54.13 53.71 2jmc s LEU 16 Cb -0.14 -1.56 -0.16 0.00 0.02 0.00 0.00 46.19 44.34 2jmc s LEU 16 CO 0.16 0.21 1.49 0.41 0.02 0.00 0.00 176.35 178.64 2jmc n THR 17 N 3.18 0.10 -1.09 5.49 -1.04 -1.20 -1.63 114.28 118.10 2jmc n THR 17 Ca -0.18 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 2jmc n THR 17 Cb 0.53 -1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 67.90 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 3.47 3.42 0.00 -4.42 0.00 0.95 -2.71 117.00 117.71 2jmc n LEU 18 Ca 0.20 -2.64 -0.20 0.00 0.00 0.00 0.00 56.01 53.37 2jmc n LEU 18 Cb 0.20 -1.04 0.19 0.00 0.00 0.00 0.00 43.42 42.77 2jmc n LEU 18 CO 0.67 -0.79 0.23 0.18 0.00 0.00 0.00 177.39 177.67 2jmc n LEU 19 N 8.31 0.00 -4.37 -1.96 4.32 0.33 -4.64 117.00 118.99 2jmc n LEU 19 Ca 0.49 -0.57 -0.52 0.00 -0.02 0.00 0.00 56.01 55.38 2jmc n LEU 19 Cb 0.41 -0.69 -0.11 0.00 -1.62 0.00 0.00 43.42 41.41 2jmc n LEU 19 CO 1.04 -2.41 1.88 0.59 -1.22 0.00 0.00 177.39 177.27 2jmc n ASN 20 N -4.32 1.01 -1.23 -1.43 4.13 -1.25 -4.35 115.26 107.83 2jmc n ASN 20 Ca 0.09 0.44 0.11 0.00 1.68 0.00 0.00 54.58 56.90 2jmc n ASN 20 Cb 0.39 -1.02 0.29 0.00 -1.54 0.00 0.00 39.78 37.91 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 9.17 3.56 -0.23 6.41 3.41 -1.26 -1.70 113.62 132.97 2jmc n SER 21 Ca 0.54 -2.00 0.16 0.00 -0.26 0.00 0.00 58.87 57.31 2jmc n SER 21 Cb 0.06 -0.44 0.31 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.45 -0.29 -2.26 6.66 5.66 -1.26 -4.01 114.28 120.23 2jmc n THR 22 Ca 0.22 1.48 -0.43 0.00 -3.05 0.00 0.00 64.05 62.27 2jmc n THR 22 Cb 0.56 -2.27 -0.02 0.00 -1.55 0.00 0.00 70.33 67.05 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 -4.84 6.76 0.22 1.09 -0.87 -1.22 -4.90 114.94 111.18 2jmc s ASN 23 Ca -0.08 1.80 -0.03 0.00 -1.57 0.00 0.00 52.86 52.98 2jmc s ASN 23 Cb 0.22 -2.54 0.19 0.00 -0.02 0.00 0.00 41.25 39.11 2jmc s ASN 23 CO 0.54 -0.90 1.60 0.11 -2.57 0.00 0.00 177.10 175.88 2jmc h LYS 24 N 9.03 0.66 -0.01 -0.60 1.57 -2.00 -2.67 116.57 122.55 2jmc h LYS 24 Ca -0.31 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 2jmc h LYS 24 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2jmc h LYS 24 CO 0.98 0.91 -0.04 -0.25 -0.57 0.00 0.00 179.45 180.47 2jmc n ASP 25 N -4.07 1.35 -3.66 0.86 8.00 -1.26 -4.77 116.55 113.01 2jmc n ASP 25 Ca -0.01 -1.38 -0.07 0.00 0.71 0.00 0.00 54.79 54.04 2jmc n ASP 25 Cb 0.48 0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.87 -0.38 1.24 0.52 -1.00 -3.99 118.94 112.38 2jmc s TRP 26 Ca 0.36 1.64 -0.09 0.00 0.02 0.00 0.00 56.10 58.04 2jmc s TRP 26 Cb 0.21 0.38 0.05 0.00 -1.15 0.00 0.00 33.47 32.96 2jmc s TRP 26 CO 0.36 -0.50 0.19 -1.58 0.02 0.00 0.00 176.95 175.45 2jmc s TRP 27 N 2.54 3.29 0.27 -1.98 0.52 0.40 -3.40 118.94 120.58 2jmc s TRP 27 Ca -0.03 -1.33 -0.30 0.00 0.02 0.00 0.00 56.10 54.45 2jmc s TRP 27 Cb -0.12 -2.59 -0.12 0.00 -1.15 0.00 0.00 33.47 29.50 2jmc s TRP 27 CO -0.14 -0.75 1.62 1.17 0.02 0.00 0.00 176.95 178.87 2jmc n LYS 28 N 4.91 2.69 -3.80 4.98 4.81 -0.69 -3.32 118.16 127.74 2jmc n LYS 28 Ca -0.11 0.96 -0.13 0.00 -0.87 0.00 0.00 58.31 58.16 2jmc n LYS 28 Cb 0.44 -2.75 -0.12 0.00 0.02 0.00 0.00 35.03 32.62 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 0.22 -0.00 0.31 3.15 -7.23 -0.94 -0.52 120.40 115.39 2jmc s VAL 29 Ca 0.66 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.90 2jmc s VAL 29 Cb -0.50 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 2jmc s VAL 29 CO 0.45 0.00 0.45 -0.70 -0.31 0.00 0.00 175.10 174.99 2jmc s GLU 30 N 0.14 3.20 0.00 4.82 2.12 -1.10 -3.42 118.70 124.46 2jmc s GLU 30 Ca -0.00 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.39 2jmc s GLU 30 Cb -0.02 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.54 2jmc s GLU 30 CO 0.00 0.15 0.00 1.33 -0.54 0.00 0.00 175.26 176.20 2jmc n VAL 31 N -1.59 0.00 0.00 3.70 0.24 -1.21 -3.21 118.33 116.26 2jmc n VAL 31 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2jmc n VAL 31 Cb 0.58 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 2jmc n VAL 31 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2jmc n ASN 32 N -2.71 0.00 0.00 -1.34 0.23 -1.26 -4.98 115.26 105.21 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 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.03 0.00 -4.47 0.53 2.03 -1.26 -5.08 116.55 108.27 2jmc n ASP 33 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 2jmc n ASP 33 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 2jmc n ASP 33 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jmc s ARG 34 N -1.00 3.70 -0.07 -0.67 0.52 -1.26 -5.04 118.95 115.13 2jmc s ARG 34 Ca 0.00 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2jmc s ARG 34 Cb 0.00 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.15 2jmc s ARG 34 CO 0.00 -0.15 -0.12 1.14 0.02 0.00 0.00 175.30 176.19 2jmc s GLN 35 N 1.52 1.71 0.04 3.54 -2.07 -1.26 -3.33 119.66 119.81 2jmc s GLN 35 Ca 0.06 -0.41 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2jmc s GLN 35 Cb -0.15 -1.42 -0.00 0.00 -1.09 0.00 0.00 33.01 30.35 2jmc s GLN 35 CO 0.04 0.02 0.04 0.41 -1.32 0.00 0.00 175.29 174.48 2jmc n GLY 36 N 3.84 3.44 3.66 2.60 0.00 -1.22 -4.30 105.19 113.21 2jmc n GLY 36 Ca -0.23 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.57 3.37 0.20 1.61 0.40 -1.26 -2.22 117.98 116.51 2jmc s PHE 37 Ca 0.04 0.72 0.09 0.00 -0.60 0.00 0.00 56.93 57.18 2jmc s PHE 37 Cb 0.00 -2.63 -0.05 0.00 0.51 0.00 0.00 43.02 40.85 2jmc s PHE 37 CO 0.03 -0.08 -0.17 0.14 0.70 0.00 0.00 175.22 175.83 2jmc s VAL 38 N 1.56 1.92 -0.11 -0.44 -7.23 -1.21 -4.91 120.40 109.98 2jmc s VAL 38 Ca 0.23 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 2jmc s VAL 38 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2jmc s VAL 38 CO 0.09 -0.43 1.53 -2.16 -0.31 0.00 0.00 175.10 173.82 2jmc s PRO 39 N -3.24 4.14 0.52 4.82 0.04 -1.26 0.15 135.00 140.17 2jmc s PRO 39 Ca 0.21 1.96 0.23 0.00 0.04 0.00 0.00 61.00 63.44 2jmc s PRO 39 Cb -0.04 -3.93 1.27 0.00 0.04 0.00 0.00 34.50 31.84 2jmc s PRO 39 CO 0.08 -0.87 1.68 0.00 0.04 0.00 0.00 177.00 177.93 2jmc h ALA 40 N 9.32 1.27 0.00 8.56 0.00 -1.86 0.32 119.26 136.86 2jmc h ALA 40 Ca -0.35 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 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 -0.27 -0.37 0.00 0.00 0.00 0.00 179.25 179.58 2jmc h ALA 41 N 1.32 1.17 -0.00 0.00 0.00 -1.89 -2.56 119.26 117.30 2jmc h ALA 41 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jmc h ALA 41 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jmc h ALA 41 CO 0.00 0.46 -0.49 0.66 0.00 0.00 0.00 179.25 179.88 2jmc n TYR 42 N -3.77 0.00 -4.52 0.00 4.02 0.11 -4.73 117.16 108.27 2jmc n TYR 42 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.63 2jmc n TYR 42 Cb 0.45 -0.24 -0.09 0.00 -0.02 0.00 0.00 39.34 39.43 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 0.97 -0.29 -0.72 -7.23 -0.96 0.12 120.40 109.31 2jmc s VAL 43 Ca 0.12 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 2jmc s VAL 43 Cb 0.18 -2.54 0.16 0.00 0.56 0.00 0.00 36.38 34.73 2jmc s VAL 43 CO 0.69 0.00 1.09 -0.75 -0.31 0.00 0.00 175.10 175.82 2jmc s LYS 44 N -3.81 0.31 0.67 4.82 2.20 -0.31 -4.77 119.74 118.86 2jmc s LYS 44 Ca 0.27 0.48 -0.17 0.00 -0.36 0.00 0.00 55.97 56.19 2jmc s LYS 44 Cb 0.05 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 2jmc s LYS 44 CO 0.14 -0.06 0.97 1.63 -0.36 0.00 0.00 175.35 177.67 2jmc n LYS 45 N 3.03 0.68 -4.38 4.03 5.02 -1.26 -0.47 118.16 124.81 2jmc n LYS 45 Ca -0.16 0.28 -0.26 0.00 -2.02 0.00 0.00 58.31 56.16 2jmc n LYS 45 Cb 0.57 -2.20 -0.09 0.00 -0.02 0.00 0.00 35.03 33.28 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 -2.66 2.96 -0.65 -0.35 1.43 -1.17 -4.74 118.68 113.51 2jmc s LEU 46 Ca 0.75 -1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.44 2jmc s LEU 46 Cb -0.37 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2jmc s LEU 46 CO 0.48 -0.37 1.59 -1.81 0.23 0.00 0.00 176.35 176.47 2jmc s ASP 47 N -3.75 5.72 -0.77 2.29 1.11 -1.26 -4.88 116.67 115.13 2jmc s ASP 47 Ca 0.36 0.05 0.00 0.00 0.18 0.00 0.00 52.55 53.14 2jmc s ASP 47 Cb 0.04 -2.54 0.19 0.00 1.07 0.00 0.00 42.92 41.68 2jmc s ASP 47 CO 0.19 -2.08 0.61 -0.55 1.18 0.00 0.00 175.17 174.52 2jmc s SER 48 N 5.97 5.46 0.26 0.27 0.15 -1.26 -4.94 113.70 119.61 2jmc s SER 48 Ca 0.53 -3.55 -0.03 0.00 0.70 0.00 0.00 55.95 53.61 2jmc s SER 48 Cb -0.11 -1.82 0.52 0.00 -1.71 0.00 0.00 66.02 62.91 2jmc s SER 48 CO 0.19 -0.20 1.69 1.23 1.20 0.00 0.00 173.24 177.35 2jmc h GLY 49 N 6.09 1.14 -0.09 9.45 0.00 -1.95 0.94 103.07 118.65 2jmc h GLY 49 Ca 0.11 -0.06 0.24 0.00 0.00 0.00 0.00 47.33 47.62 2jmc h GLY 49 CO 0.78 -0.22 0.62 0.00 0.00 0.00 0.00 176.54 177.73 2jmc h THR 50 N 0.30 0.56 0.00 4.70 1.03 -2.02 -3.45 112.91 114.03 2jmc h THR 50 Ca 0.45 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.66 2jmc h THR 50 Cb 0.79 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 2jmc h THR 50 CO -0.52 0.10 0.00 0.61 -0.01 0.00 0.00 175.52 175.70 2jmc n GLY 51 N -1.37 1.48 4.00 2.99 0.00 0.33 -5.13 105.19 107.48 2jmc n GLY 51 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.26 2.70 -0.66 1.61 -0.14 -1.25 -5.07 119.74 116.67 2jmc s LYS 52 Ca 0.00 -1.16 -0.05 0.00 -1.36 0.00 0.00 55.97 53.40 2jmc s LYS 52 Cb 0.00 -2.68 0.17 0.00 -1.68 0.00 0.00 37.83 33.64 2jmc s LYS 52 CO 0.00 -0.44 0.49 -1.21 -0.76 0.00 0.00 175.35 173.44 2jmc s GLU 53 N -4.48 2.74 0.22 1.68 0.41 -1.26 -4.82 118.70 113.19 2jmc s GLU 53 Ca 0.56 -2.51 0.10 0.00 -0.41 0.00 0.00 54.97 52.71 2jmc s GLU 53 Cb -0.10 -3.85 -0.05 0.00 -1.78 0.00 0.00 34.13 28.36 2jmc s GLU 53 CO 0.35 -1.19 -0.18 -0.48 -0.49 0.00 0.00 175.26 173.26 2jmc s LEU 54 N -0.01 2.53 -0.14 1.80 0.05 -1.26 -0.03 118.68 121.61 2jmc s LEU 54 Ca 0.17 -0.97 -0.06 0.00 0.05 0.00 0.00 54.13 53.32 2jmc s LEU 54 Cb -0.19 -0.92 0.06 0.00 -2.05 0.00 0.00 46.19 43.10 2jmc s LEU 54 CO -0.04 -0.03 0.31 0.68 -0.55 0.00 0.00 176.35 176.71 2jmc s VAL 55 N -2.44 -0.27 0.45 1.48 -7.23 -0.64 -3.05 120.40 108.70 2jmc s VAL 55 Ca 0.23 0.19 -0.19 0.00 -1.81 0.00 0.00 61.98 60.40 2jmc s VAL 55 Cb -0.04 -0.49 -0.10 0.00 0.56 0.00 0.00 36.38 36.31 2jmc s VAL 55 CO 0.10 0.08 0.95 -0.22 -0.31 0.00 0.00 175.10 175.70 2jmc s LEU 56 N 1.92 3.85 -0.58 1.32 1.98 0.38 -1.17 118.68 126.38 2jmc s LEU 56 Ca -0.04 1.62 -0.20 0.00 -2.89 0.00 0.00 54.13 52.63 2jmc s LEU 56 Cb -0.11 -4.50 0.09 0.00 0.66 0.00 0.00 46.19 42.33 2jmc s LEU 56 CO -0.10 -0.42 0.73 0.00 -1.89 0.00 0.00 176.35 174.67 2jmc s ALA 57 N -2.31 3.36 0.18 5.97 0.00 -0.22 -1.16 121.76 127.57 2jmc s ALA 57 Ca 0.61 -2.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 2jmc s ALA 57 Cb -0.09 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.55 2jmc s ALA 57 CO 0.19 -2.32 1.61 -0.07 0.00 0.00 0.00 175.76 175.17 2jmc h LEU 58 N 10.13 1.03 -9.34 0.00 3.38 0.66 0.26 115.31 121.42 2jmc h LEU 58 Ca -0.29 -0.33 -0.51 0.00 0.09 0.00 0.00 57.88 56.84 2jmc h LEU 58 Cb 1.09 -0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.42 2jmc h LEU 58 CO 1.08 1.12 -0.60 -0.31 0.09 0.00 0.00 178.44 179.82 2jmc s TYR 59 N -4.87 2.09 -0.25 1.13 2.02 -0.68 -4.72 117.35 112.08 2jmc s TYR 59 Ca -0.11 -0.90 -0.19 0.00 -0.37 0.00 0.00 57.07 55.50 2jmc s TYR 59 Cb 0.13 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 2jmc s TYR 59 CO 0.86 0.10 0.56 0.16 -1.57 0.00 0.00 175.55 175.67 2jmc s ASP 60 N -3.55 6.52 0.41 2.29 -4.77 -1.26 -4.08 116.67 112.23 2jmc s ASP 60 Ca 0.35 0.63 0.07 0.00 -3.30 0.00 0.00 52.55 50.30 2jmc s ASP 60 Cb 0.09 -2.31 -0.07 0.00 -1.09 0.00 0.00 42.92 39.54 2jmc s ASP 60 CO 0.16 -0.30 0.04 -0.47 0.70 0.00 0.00 175.17 175.30 2jmc s TYR 61 N 2.26 2.54 -0.14 2.11 6.14 -0.55 -4.96 117.35 124.75 2jmc s TYR 61 Ca 0.24 -0.65 -0.05 0.00 0.64 0.00 0.00 57.07 57.25 2jmc s TYR 61 Cb -0.16 -1.81 0.07 0.00 0.42 0.00 0.00 41.96 40.49 2jmc s TYR 61 CO 0.09 0.40 0.26 -1.14 0.64 0.00 0.00 175.55 175.80 2jmc s GLN 62 N -3.75 0.15 -0.07 4.97 2.00 -1.26 -2.55 119.66 119.15 2jmc s GLN 62 Ca 0.36 0.68 0.05 0.00 -2.00 0.00 0.00 55.36 54.46 2jmc s GLN 62 Cb 0.09 -0.17 -0.01 0.00 0.80 0.00 0.00 33.01 33.72 2jmc s GLN 62 CO 0.19 -0.33 -0.24 -2.00 -0.50 0.00 0.00 175.29 172.40 2jmc s GLU 63 N 2.41 2.69 -0.41 1.67 -6.30 0.30 -4.98 118.70 114.07 2jmc s GLU 63 Ca 0.02 -0.89 -0.03 0.00 -2.50 0.00 0.00 54.97 51.58 2jmc s GLU 63 Cb -0.12 -2.21 0.11 0.00 0.00 0.00 0.00 34.13 31.90 2jmc s GLU 63 CO -0.09 0.34 0.21 0.45 0.02 0.00 0.00 175.26 176.18 2jmc s SER 64 N -0.05 5.23 0.03 -1.70 0.15 -1.26 -0.44 113.70 115.66 2jmc s SER 64 Ca -0.07 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 54.51 2jmc s SER 64 Cb -0.15 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2jmc s SER 64 CO 0.05 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2jmc n GLY 65 N 4.54 -4.04 2.76 9.45 0.00 0.17 -4.24 105.19 113.83 2jmc n GLY 65 Ca -0.02 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 0.67 0.40 -4.28 1.61 5.75 -1.12 -4.88 116.55 114.70 2jmc n ASP 66 Ca 0.00 0.33 -0.27 0.00 -0.01 0.00 0.00 54.79 54.84 2jmc n ASP 66 Cb 0.00 -0.74 -0.14 0.00 -1.03 0.00 0.00 41.12 39.20 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 6.25 2.70 0.31 -1.12 0.02 -1.26 -4.98 114.94 116.86 2jmc s ASN 67 Ca 1.05 -0.55 -0.28 0.00 -1.02 0.00 0.00 52.86 52.05 2jmc s ASN 67 Cb -1.12 -0.23 -0.09 0.00 0.02 0.00 0.00 41.25 39.83 2jmc s ASN 67 CO 0.46 0.19 1.12 0.00 0.02 0.00 0.00 177.10 178.89 2jmc s ALA 68 N -0.82 3.37 -1.19 0.60 0.00 -1.26 -3.98 121.76 118.48 2jmc s ALA 68 Ca 0.09 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 2jmc s ALA 68 Cb -0.09 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 2jmc s ALA 68 CO 0.02 -0.24 1.93 -0.35 0.00 0.00 0.00 175.76 177.12 2jmc n PRO 69 N 0.94 1.61 0.00 0.00 -0.04 -1.26 -4.65 135.00 131.59 2jmc n PRO 69 Ca -0.00 -2.47 0.14 0.00 -0.04 0.00 0.00 63.50 61.12 2jmc n PRO 69 Cb 0.45 -3.73 0.46 0.00 -0.04 0.00 0.00 33.50 30.64 2jmc n PRO 69 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jmc n SER 70 N 14.38 1.26 -4.25 3.54 7.64 -1.26 -4.91 113.62 130.02 2jmc n SER 70 Ca 0.45 -1.20 -0.19 0.00 1.01 0.00 0.00 58.87 58.94 2jmc n SER 70 Cb 0.46 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 -2.24 1.68 0.59 1.43 -0.85 -1.26 -5.15 117.35 111.55 2jmc s TYR 71 Ca 0.32 -1.18 -0.17 0.00 -0.52 0.00 0.00 57.07 55.51 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 0.42 -0.29 1.08 -1.54 -1.52 0.00 0.00 175.55 173.70 2jmc s SER 72 N -3.40 5.69 0.49 -0.18 1.04 -1.26 -5.01 113.70 111.06 2jmc s SER 72 Ca 0.35 1.93 -0.22 0.00 0.48 0.00 0.00 55.95 58.50 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 -1.23 1.15 -2.16 0.98 0.00 0.00 173.24 172.13 2jmc s PRO 73 N -3.83 3.63 0.55 4.02 0.04 -1.26 -5.01 135.00 133.13 2jmc s PRO 73 Ca 0.66 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 63.23 2jmc s PRO 73 Cb -0.18 -2.28 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2jmc s PRO 73 CO 0.34 -0.65 1.13 -1.25 0.04 0.00 0.00 177.00 176.61 2jmc s PRO 74 N -2.89 3.33 0.03 0.56 0.04 -1.26 -4.98 135.00 129.83 2jmc s PRO 74 Ca 0.67 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2jmc s PRO 74 Cb -0.27 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 2jmc s PRO 74 CO 0.32 -0.87 1.43 -1.25 0.04 0.00 0.00 177.00 176.67 2jmc s PRO 75 N -3.32 4.28 1.01 0.56 0.04 -1.26 -4.98 135.00 131.34 2jmc s PRO 75 Ca 0.73 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.67 2jmc s PRO 75 Cb -0.24 -3.52 0.20 0.00 0.04 0.00 0.00 34.50 30.97 2jmc s PRO 75 CO 0.28 -0.57 1.09 -1.25 0.04 0.00 0.00 177.00 176.59 2jmc s PRO 76 N 2.22 0.30 0.00 0.56 0.04 -1.26 -5.16 135.00 131.71 2jmc s PRO 76 Ca 0.65 0.48 0.15 0.00 0.04 0.00 0.00 61.00 62.33 2jmc s PRO 76 Cb -0.33 -1.73 0.92 0.00 0.04 0.00 0.00 34.50 33.41 2jmc s PRO 76 CO 0.28 -2.81 1.34 -0.35 0.04 0.00 0.00 177.00 175.50