#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 3.26 -1.14 4.61 0.00 -1.26 -4.95 121.76 122.27 2jmc s ALA 2 Ca 0.00 -2.66 -0.22 0.00 0.00 0.00 0.00 51.96 49.09 2jmc s ALA 2 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 2jmc s ALA 2 CO 0.00 -3.07 1.84 1.41 0.00 0.00 0.00 175.76 175.94 2jmc s MET 3 N 3.08 3.00 0.54 0.00 -2.45 -1.26 -4.77 119.30 117.44 2jmc s MET 3 Ca 0.34 -1.21 -0.22 0.00 -1.25 0.00 0.00 55.69 53.35 2jmc s MET 3 Cb -0.05 -5.30 -0.05 0.00 1.25 0.00 0.00 34.83 30.69 2jmc s MET 3 CO -0.09 -3.25 1.35 0.41 1.05 0.00 0.00 175.02 174.49 2jmc n GLY 4 N 6.01 0.75 0.21 2.11 0.00 -1.26 -4.86 105.19 108.14 2jmc n GLY 4 Ca 0.44 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.56 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 1.45 0.00 -5.40 1.61 0.13 -1.93 -3.12 132.00 124.74 2jmc h PRO 5 Ca -0.51 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.99 2jmc h PRO 5 Cb 1.30 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.30 2jmc h PRO 5 CO 0.57 0.30 0.08 -0.98 -0.23 0.00 0.00 178.00 177.74 2jmc s ARG 6 N -3.83 3.67 -0.22 0.86 3.03 -1.26 -4.88 118.95 116.32 2jmc s ARG 6 Ca -0.01 -0.01 -0.06 0.00 2.03 0.00 0.00 55.73 57.68 2jmc s ARG 6 Cb 0.12 -3.81 -0.03 0.00 -1.03 0.00 0.00 34.95 30.20 2jmc s ARG 6 CO 0.66 -0.70 0.04 -1.83 -1.13 0.00 0.00 175.30 172.35 2jmc s GLU 7 N 2.60 3.71 -0.26 3.89 1.03 -1.26 -2.70 118.70 125.71 2jmc s GLU 7 Ca 0.23 -0.46 -0.09 0.00 0.03 0.00 0.00 54.97 54.67 2jmc s GLU 7 Cb -0.15 -3.21 -0.04 0.00 -0.80 0.00 0.00 34.13 29.93 2jmc s GLU 7 CO 0.14 -0.01 0.14 0.54 -1.33 0.00 0.00 175.26 174.74 2jmc s VAL 8 N 1.11 4.90 -0.15 1.83 0.11 -0.39 -4.53 120.40 123.28 2jmc s VAL 8 Ca 0.04 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2jmc s VAL 8 Cb -0.14 -3.32 0.03 0.00 -1.53 0.00 0.00 36.38 31.42 2jmc s VAL 8 CO 0.03 0.29 -0.10 0.42 -3.33 0.00 0.00 175.10 172.40 2jmc s THR 9 N 1.66 1.36 0.15 5.04 -4.23 -1.26 0.04 115.64 118.39 2jmc s THR 9 Ca 0.07 -0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.79 2jmc s THR 9 Cb -0.15 -1.37 -0.07 0.00 1.34 0.00 0.00 72.50 72.25 2jmc s THR 9 CO 0.08 0.34 0.64 -0.04 -0.54 0.00 0.00 174.62 175.09 2jmc s MET 10 N 1.56 4.21 -0.01 3.99 -1.94 -1.00 -4.88 119.30 121.21 2jmc s MET 10 Ca 0.03 0.77 0.04 0.00 -1.71 0.00 0.00 55.69 54.82 2jmc s MET 10 Cb -0.14 -3.06 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 2jmc s MET 10 CO -0.09 0.52 -0.13 0.21 -0.01 0.00 0.00 175.02 175.51 2jmc s LYS 11 N -1.59 1.14 -0.33 2.03 2.36 -1.26 0.17 119.74 122.28 2jmc s LYS 11 Ca 0.36 -0.48 -0.39 0.00 -2.55 0.00 0.00 55.97 52.92 2jmc s LYS 11 Cb -0.18 -1.09 -0.14 0.00 -1.05 0.00 0.00 37.83 35.37 2jmc s LYS 11 CO 0.20 0.27 1.96 1.17 1.55 0.00 0.00 175.35 180.51 2jmc n LYS 12 N 2.83 1.02 -0.72 4.03 4.81 -1.22 -2.32 118.16 126.58 2jmc n LYS 12 Ca -0.15 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2jmc n LYS 12 Cb 0.55 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.42 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 5.46 0.62 3.07 3.14 0.00 -0.74 -5.03 105.19 111.72 2jmc n GLY 13 Ca 0.35 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.86 0.14 -0.25 1.61 -1.08 -0.98 -4.96 116.67 109.28 2jmc s ASP 14 Ca 0.00 -0.41 -0.04 0.00 -0.52 0.00 0.00 52.55 51.58 2jmc s ASP 14 Cb 0.00 0.18 0.01 0.00 -1.46 0.00 0.00 42.92 41.65 2jmc s ASP 14 CO 0.00 -0.39 -0.01 -0.63 0.52 0.00 0.00 175.17 174.66 2jmc s ILE 15 N -1.80 3.38 -0.11 4.11 1.01 -1.26 -0.55 121.20 125.98 2jmc s ILE 15 Ca -0.12 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2jmc s ILE 15 Cb -0.06 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2jmc s ILE 15 CO -0.01 0.23 -0.20 -0.76 0.00 0.00 0.00 174.94 174.20 2jmc s LEU 16 N 1.43 2.31 -0.16 2.97 1.02 -1.04 -4.96 118.68 120.26 2jmc s LEU 16 Ca 0.03 -0.48 -0.42 0.00 0.02 0.00 0.00 54.13 53.28 2jmc s LEU 16 Cb -0.16 -1.48 -0.19 0.00 0.02 0.00 0.00 46.19 44.38 2jmc s LEU 16 CO -0.02 0.16 1.31 0.41 0.02 0.00 0.00 176.35 178.23 2jmc n THR 17 N 3.51 0.02 -1.05 5.49 -1.04 -1.10 -2.64 114.28 117.48 2jmc n THR 17 Ca -0.19 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.42 2jmc n THR 17 Cb 0.53 -0.34 -0.05 0.00 -1.82 0.00 0.00 70.33 68.65 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 2.65 4.07 0.00 -4.42 -0.00 0.13 -2.38 117.00 117.04 2jmc n LEU 18 Ca 0.24 -2.82 -0.16 0.00 -0.00 0.00 0.00 56.01 53.26 2jmc n LEU 18 Cb 0.06 -1.08 0.15 0.00 -0.00 0.00 0.00 43.42 42.55 2jmc n LEU 18 CO 0.71 -0.27 0.18 0.18 -0.00 0.00 0.00 177.39 178.19 2jmc n LEU 19 N 6.97 0.00 -4.42 -1.96 4.32 -0.05 -4.58 117.00 117.28 2jmc n LEU 19 Ca 0.48 -0.46 -0.47 0.00 -0.02 0.00 0.00 56.01 55.54 2jmc n LEU 19 Cb 0.36 -0.61 -0.12 0.00 -1.62 0.00 0.00 43.42 41.43 2jmc n LEU 19 CO 0.99 -2.26 2.01 -3.20 -1.22 0.00 0.00 177.39 173.71 2jmc n ASN 20 N -3.20 0.84 -1.75 -1.43 5.15 -1.25 -4.40 115.26 109.22 2jmc n ASN 20 Ca 0.07 0.30 0.06 0.00 -0.60 0.00 0.00 54.58 54.41 2jmc n ASN 20 Cb 0.31 -1.02 0.36 0.00 -0.53 0.00 0.00 39.78 38.91 2jmc n ASN 20 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2jmc n SER 21 N 10.02 5.24 -0.20 1.20 3.41 -1.26 -1.70 113.62 130.32 2jmc n SER 21 Ca 0.57 -2.82 -0.00 0.00 -0.26 0.00 0.00 58.87 56.36 2jmc n SER 21 Cb 0.08 -0.66 0.07 0.00 -0.26 0.00 0.00 64.21 63.44 2jmc n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmc h THR 22 N 3.61 0.44 -1.95 6.66 1.03 -1.85 -3.39 112.91 117.45 2jmc h THR 22 Ca 0.00 -0.01 -0.59 0.00 -0.01 0.00 0.00 66.41 65.79 2jmc h THR 22 Cb 1.82 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 2jmc h THR 22 CO 0.44 0.01 1.37 0.59 -0.01 0.00 0.00 175.52 177.92 2jmc n ASN 23 N -5.36 3.34 0.24 0.00 4.13 -1.21 -4.83 115.26 111.57 2jmc n ASN 23 Ca 0.08 0.49 0.10 0.00 1.68 0.00 0.00 54.58 56.93 2jmc n ASN 23 Cb 0.33 -1.48 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 12.90 0.00 -0.02 3.52 2.10 -2.00 -2.10 116.57 130.96 2jmc h LYS 24 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 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 0.96 0.20 -0.26 -0.25 -2.00 0.00 0.00 179.45 178.10 2jmc n ASP 25 N -3.66 2.35 -3.66 7.07 9.92 -1.26 -4.87 116.55 122.44 2jmc n ASP 25 Ca -0.01 -1.68 -0.08 0.00 -0.53 0.00 0.00 54.79 52.49 2jmc n ASP 25 Cb 0.32 0.25 -0.08 0.00 -0.64 0.00 0.00 41.12 40.97 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 -2.27 -0.89 -0.35 1.24 0.52 -0.79 -4.21 118.94 112.19 2jmc s TRP 26 Ca 0.23 1.79 -0.05 0.00 0.02 0.00 0.00 56.10 58.10 2jmc s TRP 26 Cb 0.19 0.49 0.06 0.00 -1.15 0.00 0.00 33.47 33.06 2jmc s TRP 26 CO 0.45 -0.46 0.11 -1.58 0.02 0.00 0.00 176.95 175.49 2jmc s TRP 27 N 1.68 3.31 0.29 -1.98 0.52 0.25 -3.31 118.94 119.70 2jmc s TRP 27 Ca -0.09 -1.69 -0.30 0.00 0.02 0.00 0.00 56.10 54.04 2jmc s TRP 27 Cb -0.07 -2.44 -0.12 0.00 -1.15 0.00 0.00 33.47 29.69 2jmc s TRP 27 CO -0.17 -0.80 1.56 1.17 0.02 0.00 0.00 176.95 178.74 2jmc n LYS 28 N 4.74 2.60 -3.80 4.98 4.81 -0.69 -3.40 118.16 127.40 2jmc n LYS 28 Ca -0.11 0.92 -0.13 0.00 -0.87 0.00 0.00 58.31 58.13 2jmc n LYS 28 Cb 0.44 -2.69 -0.12 0.00 0.02 0.00 0.00 35.03 32.68 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 -0.06 -0.00 0.11 3.15 -7.23 -1.03 -0.87 120.40 114.47 2jmc s VAL 29 Ca 0.64 0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2jmc s VAL 29 Cb -0.52 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.09 2jmc s VAL 29 CO 0.49 0.01 0.29 -0.70 -0.31 0.00 0.00 175.10 174.88 2jmc s GLU 30 N 0.22 3.51 -0.57 4.82 2.12 -1.00 -2.99 118.70 124.81 2jmc s GLU 30 Ca -0.01 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.03 2jmc s GLU 30 Cb -0.02 -2.95 0.40 0.00 0.26 0.00 0.00 34.13 31.82 2jmc s GLU 30 CO -0.01 0.53 1.43 0.28 -0.54 0.00 0.00 175.26 176.96 2jmc n VAL 31 N 0.07 2.81 0.00 3.70 0.31 0.79 -2.70 118.33 123.32 2jmc n VAL 31 Ca -0.04 -4.65 0.00 0.00 -0.01 0.00 0.00 64.34 59.64 2jmc n VAL 31 Cb 0.52 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 -0.52 0.00 0.00 4.52 3.02 -1.26 -3.69 115.26 117.33 2jmc n ASN 32 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 2jmc n ASN 32 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 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 2.19 1.07 -3.40 6.41 9.92 -1.26 -5.09 116.55 126.39 2jmc n ASP 33 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 2jmc n ASP 33 Cb 0.00 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.55 2jmc n ASP 33 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2jmc n ARG 34 N -2.79 0.08 -3.73 -1.24 1.74 -1.24 -5.04 116.66 104.43 2jmc n ARG 34 Ca 0.00 -1.50 0.02 0.00 -0.77 0.00 0.00 57.85 55.60 2jmc n ARG 34 Cb 0.45 -0.43 0.01 0.00 -1.02 0.00 0.00 32.46 31.48 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 -2.12 0.24 0.00 5.56 10.64 -1.26 -0.15 117.38 130.29 2jmc n GLN 35 Ca 0.09 -0.80 0.00 0.00 -1.83 0.00 0.00 57.00 54.46 2jmc n GLN 35 Cb 0.33 1.26 0.00 0.00 -0.86 0.00 0.00 30.24 30.97 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 -0.79 2.73 3.68 2.61 0.00 -1.16 -3.14 105.19 109.12 2jmc n GLY 36 Ca 0.03 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 3.47 0.17 1.61 0.40 -1.25 -2.47 117.98 117.91 2jmc s PHE 37 Ca 0.00 1.48 0.08 0.00 -0.60 0.00 0.00 56.93 57.89 2jmc s PHE 37 Cb 0.00 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 2jmc s PHE 37 CO 0.00 -0.25 -0.16 0.14 0.70 0.00 0.00 175.22 175.65 2jmc s VAL 38 N 2.15 1.70 -0.09 -0.44 -7.23 -1.22 -4.89 120.40 110.38 2jmc s VAL 38 Ca 0.45 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 2jmc s VAL 38 Cb -0.17 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2jmc s VAL 38 CO 0.15 -0.45 1.52 -2.16 -0.31 0.00 0.00 175.10 173.85 2jmc s PRO 39 N -3.12 4.20 0.53 4.82 0.04 -1.26 0.88 135.00 141.08 2jmc s PRO 39 Ca 0.17 2.01 0.27 0.00 0.04 0.00 0.00 61.00 63.49 2jmc s PRO 39 Cb -0.04 -3.89 1.45 0.00 0.04 0.00 0.00 34.50 32.06 2jmc s PRO 39 CO 0.06 -0.79 1.79 0.00 0.04 0.00 0.00 177.00 178.10 2jmc h ALA 40 N 9.02 1.20 0.00 8.56 0.00 -1.87 0.25 119.26 136.41 2jmc h ALA 40 Ca -0.35 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 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 0.96 -0.20 -0.15 0.00 0.00 0.00 0.00 179.25 179.86 2jmc h ALA 41 N 1.50 1.05 -0.00 0.00 0.00 -1.90 -2.49 119.26 117.42 2jmc h ALA 41 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jmc h ALA 41 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jmc h ALA 41 CO 0.00 0.18 -0.62 0.66 0.00 0.00 0.00 179.25 179.47 2jmc n TYR 42 N -3.33 0.00 -4.43 0.00 4.02 0.86 -4.76 117.16 109.52 2jmc n TYR 42 Ca -0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 2jmc n TYR 42 Cb 0.37 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.40 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 -3.00 0.99 -0.28 -0.72 -7.23 -0.94 0.14 120.40 109.36 2jmc s VAL 43 Ca 0.10 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.09 2jmc s VAL 43 Cb 0.17 -2.71 0.10 0.00 0.56 0.00 0.00 36.38 34.50 2jmc s VAL 43 CO 0.74 0.00 0.81 -0.75 -0.31 0.00 0.00 175.10 175.59 2jmc s LYS 44 N -3.90 0.63 0.54 4.82 2.36 -0.67 -4.81 119.74 118.70 2jmc s LYS 44 Ca 0.35 0.97 -0.21 0.00 -2.55 0.00 0.00 55.97 54.53 2jmc s LYS 44 Cb 0.08 0.19 -0.06 0.00 -1.05 0.00 0.00 37.83 36.99 2jmc s LYS 44 CO 0.15 -0.11 1.13 1.63 1.55 0.00 0.00 175.35 179.70 2jmc n LYS 45 N 3.60 1.31 -3.49 4.03 5.02 -1.26 -1.91 118.16 125.46 2jmc n LYS 45 Ca -0.18 0.49 -0.21 0.00 -2.02 0.00 0.00 58.31 56.39 2jmc n LYS 45 Cb 0.58 -2.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.26 2jmc n LYS 45 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2jmc n LEU 46 N -0.61 0.00 -4.18 -0.35 4.77 -1.22 -4.83 117.00 110.58 2jmc n LEU 46 Ca 0.12 -2.17 -0.39 0.00 -0.03 0.00 0.00 56.01 53.54 2jmc n LEU 46 Cb 0.45 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2jmc n LEU 46 CO 0.52 -0.43 -0.10 -1.81 -1.33 0.00 0.00 177.39 174.25 2jmc s ASP 47 N -3.20 5.50 0.00 -1.43 1.01 -1.26 -4.94 116.67 112.35 2jmc s ASP 47 Ca 0.13 -1.90 0.00 0.00 0.71 0.00 0.00 52.55 51.49 2jmc s ASP 47 Cb -0.01 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 41.99 2jmc s ASP 47 CO 0.08 -0.61 0.00 -1.54 0.21 0.00 0.00 175.17 173.31 2jmc n SER 48 N 4.78 0.00 0.00 0.27 3.41 -1.26 -5.07 113.62 115.75 2jmc n SER 48 Ca -0.06 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2jmc n SER 48 Cb 0.41 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2jmc n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jmc n GLY 49 N 1.91 1.99 0.13 5.00 0.00 -1.26 -4.92 105.19 108.04 2jmc n GLY 49 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 0.94 0.00 2.61 1.03 -2.04 -3.45 112.91 111.99 2jmc h THR 50 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 2jmc h THR 50 Cb 0.00 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 67.78 2jmc h THR 50 CO 0.00 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.16 2jmc n GLY 51 N -1.19 0.00 3.86 2.99 0.00 -1.26 -5.16 105.19 104.43 2jmc n GLY 51 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.92 -0.79 1.61 -0.14 -1.26 -5.04 119.74 118.03 2jmc s LYS 52 Ca 0.00 0.57 -0.06 0.00 -1.36 0.00 0.00 55.97 55.13 2jmc s LYS 52 Cb 0.00 -2.44 0.20 0.00 -1.68 0.00 0.00 37.83 33.92 2jmc s LYS 52 CO 0.00 0.11 0.67 -1.21 -0.76 0.00 0.00 175.35 174.17 2jmc s GLU 53 N -3.23 3.16 0.26 1.68 8.01 -1.26 -4.80 118.70 122.53 2jmc s GLU 53 Ca 0.53 -2.80 0.09 0.00 0.01 0.00 0.00 54.97 52.80 2jmc s GLU 53 Cb -0.10 -4.03 -0.05 0.00 -4.31 0.00 0.00 34.13 25.63 2jmc s GLU 53 CO 0.22 -1.23 -0.14 -0.48 0.01 0.00 0.00 175.26 173.63 2jmc s LEU 54 N -0.50 2.58 -0.18 1.80 0.05 -1.26 0.17 118.68 121.33 2jmc s LEU 54 Ca 0.21 -1.08 -0.05 0.00 0.05 0.00 0.00 54.13 53.27 2jmc s LEU 54 Cb -0.13 -0.87 0.09 0.00 -2.05 0.00 0.00 46.19 43.23 2jmc s LEU 54 CO -0.08 -0.13 0.34 0.68 -0.55 0.00 0.00 176.35 176.61 2jmc s VAL 55 N -2.76 -0.53 0.56 1.48 -7.23 -1.08 -3.41 120.40 107.44 2jmc s VAL 55 Ca 0.28 0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 60.42 2jmc s VAL 55 Cb -0.01 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.28 2jmc s VAL 55 CO 0.12 0.04 1.09 -0.22 -0.31 0.00 0.00 175.10 175.81 2jmc s LEU 56 N 2.51 3.65 -0.45 1.32 0.20 -0.80 -2.49 118.68 122.61 2jmc s LEU 56 Ca 0.02 2.00 -0.20 0.00 0.69 0.00 0.00 54.13 56.64 2jmc s LEU 56 Cb -0.13 -4.56 0.03 0.00 -0.43 0.00 0.00 46.19 41.10 2jmc s LEU 56 CO -0.11 -1.17 0.59 0.00 -0.29 0.00 0.00 176.35 175.37 2jmc s ALA 57 N -2.09 3.37 0.16 5.97 0.00 0.29 -1.68 121.76 127.78 2jmc s ALA 57 Ca 0.68 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2jmc s ALA 57 Cb -0.19 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 2jmc s ALA 57 CO 0.30 -1.80 1.38 -0.07 0.00 0.00 0.00 175.76 175.57 2jmc h LEU 58 N 9.57 0.48 -9.67 0.00 3.38 0.93 -1.97 115.31 118.02 2jmc h LEU 58 Ca -0.26 -0.35 -0.61 0.00 0.09 0.00 0.00 57.88 56.75 2jmc h LEU 58 Cb 1.10 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 2jmc h LEU 58 CO 0.89 1.12 -0.50 -0.31 0.09 0.00 0.00 178.44 179.72 2jmc s TYR 59 N -3.43 1.79 -0.27 1.13 2.02 -0.69 -4.67 117.35 113.24 2jmc s TYR 59 Ca -0.05 -1.22 -0.10 0.00 -0.37 0.00 0.00 57.07 55.33 2jmc s TYR 59 Cb 0.10 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 2jmc s TYR 59 CO 0.85 -0.16 0.17 0.16 -1.57 0.00 0.00 175.55 175.00 2jmc s ASP 60 N -3.71 5.94 0.38 2.29 1.47 -1.26 -3.46 116.67 118.33 2jmc s ASP 60 Ca 0.16 -0.01 0.07 0.00 1.18 0.00 0.00 52.55 53.96 2jmc s ASP 60 Cb 0.01 -2.10 -0.07 0.00 -0.34 0.00 0.00 42.92 40.42 2jmc s ASP 60 CO 0.10 -0.02 -0.01 -0.47 0.68 0.00 0.00 175.17 175.45 2jmc s TYR 61 N 1.60 2.41 -0.16 2.11 6.14 0.13 -4.95 117.35 124.62 2jmc s TYR 61 Ca 0.07 -0.67 -0.05 0.00 0.64 0.00 0.00 57.07 57.06 2jmc s TYR 61 Cb -0.15 -1.61 0.08 0.00 0.42 0.00 0.00 41.96 40.69 2jmc s TYR 61 CO 0.09 0.42 0.29 -1.14 0.64 0.00 0.00 175.55 175.85 2jmc s GLN 62 N -3.71 0.19 -0.12 4.97 2.00 -1.26 -2.39 119.66 119.35 2jmc s GLN 62 Ca 0.34 0.72 0.03 0.00 -2.00 0.00 0.00 55.36 54.45 2jmc s GLN 62 Cb 0.08 -0.14 0.00 0.00 0.80 0.00 0.00 33.01 33.75 2jmc s GLN 62 CO 0.17 -0.35 -0.23 -2.00 -0.50 0.00 0.00 175.29 172.38 2jmc s GLU 63 N 2.45 3.01 -0.76 1.67 -6.30 0.11 -4.97 118.70 113.91 2jmc s GLU 63 Ca 0.02 -0.86 -0.03 0.00 -2.50 0.00 0.00 54.97 51.61 2jmc s GLU 63 Cb -0.13 -2.35 0.19 0.00 0.00 0.00 0.00 34.13 31.85 2jmc s GLU 63 CO -0.10 0.09 0.61 0.45 0.02 0.00 0.00 175.26 176.33 2jmc s SER 64 N 0.57 5.63 0.00 -1.70 0.15 -1.26 -1.26 113.70 115.83 2jmc s SER 64 Ca -0.13 -3.28 0.00 0.00 0.70 0.00 0.00 55.95 53.24 2jmc s SER 64 Cb -0.17 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2jmc s SER 64 CO 0.04 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2jmc n GLY 65 N 2.92 -0.60 2.77 9.45 0.00 -1.10 -4.19 105.19 114.45 2jmc n GLY 65 Ca 0.15 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 0.41 -4.38 1.61 2.03 -1.18 -4.27 116.55 110.77 2jmc n ASP 66 Ca 0.00 0.34 -0.23 0.00 0.52 0.00 0.00 54.79 55.41 2jmc n ASP 66 Cb 0.00 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 39.54 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 3.02 0.29 1.67 3.04 -1.26 -4.78 114.94 123.16 2jmc s ASN 67 Ca 1.05 -0.90 -0.29 0.00 0.04 0.00 0.00 52.86 52.76 2jmc s ASN 67 Cb -1.12 -0.20 -0.10 0.00 -1.54 0.00 0.00 41.25 38.29 2jmc s ASN 67 CO 0.47 0.01 1.11 0.00 -3.04 0.00 0.00 177.10 175.65 2jmc s ALA 68 N -2.09 3.40 -1.19 1.71 0.00 -1.26 -3.97 121.76 118.36 2jmc s ALA 68 Ca 0.20 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.85 2jmc s ALA 68 Cb -0.06 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 2jmc s ALA 68 CO 0.09 -0.20 1.94 -1.25 0.00 0.00 0.00 175.76 176.33 2jmc s PRO 69 N -1.53 2.48 0.00 0.00 0.04 -1.26 -4.66 135.00 130.08 2jmc s PRO 69 Ca 0.45 -1.18 0.28 0.00 0.04 0.00 0.00 61.00 60.59 2jmc s PRO 69 Cb -0.32 -5.25 0.98 0.00 0.04 0.00 0.00 34.50 29.96 2jmc s PRO 69 CO 0.41 -4.01 1.70 0.43 0.04 0.00 0.00 177.00 175.58 2jmc n SER 70 N 14.44 1.12 -4.25 6.66 7.64 -1.26 -4.90 113.62 133.07 2jmc n SER 70 Ca 0.45 -1.12 -0.19 0.00 1.01 0.00 0.00 58.87 59.02 2jmc n SER 70 Cb 0.47 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 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 -2.26 1.68 0.58 1.43 -0.85 -1.26 -5.15 117.35 111.52 2jmc s TYR 71 Ca 0.32 -1.19 -0.16 0.00 -0.52 0.00 0.00 57.07 55.52 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 0.43 -0.29 1.06 -1.54 -1.52 0.00 0.00 175.55 173.69 2jmc s SER 72 N -3.40 5.79 0.48 -0.18 1.04 -1.26 -5.01 113.70 111.15 2jmc s SER 72 Ca 0.35 1.87 -0.22 0.00 0.48 0.00 0.00 55.95 58.43 2jmc s SER 72 Cb 0.07 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.58 2jmc s SER 72 CO 0.15 -1.16 1.16 -2.16 0.98 0.00 0.00 173.24 172.21 2jmc s PRO 73 N -3.92 3.67 0.58 4.02 0.04 -1.26 -5.01 135.00 133.12 2jmc s PRO 73 Ca 0.65 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 2jmc s PRO 73 Cb -0.17 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2jmc s PRO 73 CO 0.34 -0.62 1.12 -1.25 0.04 0.00 0.00 177.00 176.64 2jmc s PRO 74 N -2.83 3.18 0.05 0.56 0.04 -1.26 -4.98 135.00 129.76 2jmc s PRO 74 Ca 0.66 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.93 2jmc s PRO 74 Cb -0.27 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 2jmc s PRO 74 CO 0.33 -0.97 1.41 -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 -4.98 135.00 131.12 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 -3.45 0.20 0.00 0.04 0.00 0.00 34.50 31.06 2jmc s PRO 75 CO 0.32 -0.53 1.09 -1.25 0.04 0.00 0.00 177.00 176.67 2jmc s PRO 76 N 1.91 0.30 0.00 0.56 0.04 -1.26 -5.16 135.00 131.40 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 -2.81 1.35 -0.35 0.04 0.00 0.00 177.00 175.51