#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh0 s GLU 2 N 0.00 1.37 0.04 0.00 -1.05 -1.26 -5.04 118.70 112.76 1jh0 s GLU 2 Ca 0.00 -0.41 -0.24 0.00 -0.15 0.00 0.00 54.97 54.17 1jh0 s GLU 2 Cb 0.00 -2.01 -0.05 0.00 -0.44 0.00 0.00 34.13 31.62 1jh0 s GLU 2 CO 0.00 -1.86 0.73 -0.47 0.95 0.00 0.00 175.26 174.60 1jh0 s TYR 3 N -3.57 3.73 -0.53 4.83 5.04 -1.26 -4.97 117.35 120.61 1jh0 s TYR 3 Ca 0.68 1.41 0.22 0.00 -2.44 0.00 0.00 57.07 56.94 1jh0 s TYR 3 Cb -0.07 -2.77 -0.21 0.00 0.35 0.00 0.00 41.96 39.27 1jh0 s TYR 3 CO 0.49 0.30 0.77 1.04 -1.34 0.00 0.00 175.55 176.81 1jh0 n GLN 4 N 2.76 0.32 -2.94 4.97 1.13 -1.26 -5.02 117.38 117.34 1jh0 n GLN 4 Ca -0.04 -0.08 -0.15 0.00 -1.94 0.00 0.00 57.00 54.80 1jh0 n GLN 4 Cb 0.50 -1.53 0.04 0.00 0.11 0.00 0.00 30.24 29.36 1jh0 n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1jh0 n ASN 5 N -1.91 -4.71 -0.03 1.08 5.15 -1.26 -4.93 115.26 108.65 1jh0 n ASN 5 Ca 0.00 -0.25 -0.21 0.00 -0.60 0.00 0.00 54.58 53.52 1jh0 n ASN 5 Cb 0.45 -3.47 -0.13 0.00 -0.53 0.00 0.00 39.78 36.09 1jh0 n ASN 5 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jh0 n ILE 6 N -4.12 1.71 -4.85 -1.44 2.08 -1.26 -4.90 119.36 106.59 1jh0 n ILE 6 Ca -0.04 -0.63 -0.26 0.00 0.56 0.00 0.00 62.75 62.38 1jh0 n ILE 6 Cb 0.56 -1.67 -0.16 0.00 -0.75 0.00 0.00 39.64 37.63 1jh0 n ILE 6 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1jh0 s PHE 7 N -2.55 1.66 0.66 1.39 0.08 -1.26 -4.81 117.98 113.16 1jh0 s PHE 7 Ca -0.25 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.23 1jh0 s PHE 7 Cb 0.07 -1.10 -0.00 0.00 -0.57 0.00 0.00 43.02 41.42 1jh0 s PHE 7 CO 0.73 -0.10 1.19 -1.12 -0.10 0.00 0.00 175.22 175.82 1jh0 s SER 8 N -0.19 4.78 0.01 1.36 0.01 -0.58 -4.96 113.70 114.12 1jh0 s SER 8 Ca 0.01 2.32 0.18 0.00 1.31 0.00 0.00 55.95 59.77 1jh0 s SER 8 Cb -0.09 -2.59 -0.18 0.00 0.21 0.00 0.00 66.02 63.37 1jh0 s SER 8 CO 0.01 -1.87 0.65 0.00 0.41 0.00 0.00 173.24 172.44 1jh0 n GLN 9 N -2.17 0.64 -3.68 12.44 6.02 -1.26 -4.88 117.38 124.49 1jh0 n GLN 9 Ca 0.13 0.11 -0.10 0.00 -0.01 0.00 0.00 57.00 57.13 1jh0 n GLN 9 Cb 0.50 -1.72 -0.11 0.00 1.02 0.00 0.00 30.24 29.94 1jh0 n GLN 9 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jh0 s VAL 10 N -2.96 -0.35 0.42 5.09 1.01 -1.26 -5.15 120.40 117.20 1jh0 s VAL 10 Ca -0.05 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 1jh0 s VAL 10 Cb 0.09 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1jh0 s VAL 10 CO 0.83 0.07 0.71 -1.10 0.00 0.00 0.00 175.10 175.61 1jh0 s GLN 11 N 2.07 3.58 -0.06 2.72 -0.21 -1.26 -5.09 119.66 121.41 1jh0 s GLN 11 Ca -0.04 0.13 -0.02 0.00 0.02 0.00 0.00 55.36 55.44 1jh0 s GLN 11 Cb -0.11 -2.46 0.04 0.00 1.00 0.00 0.00 33.01 31.48 1jh0 s GLN 11 CO -0.12 -0.06 0.12 0.08 -2.12 0.00 0.00 175.29 173.18 1jh0 s VAL 12 N -2.53 -0.09 0.03 1.09 1.01 -1.26 -5.16 120.40 113.49 1jh0 s VAL 12 Ca 0.46 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1jh0 s VAL 12 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1jh0 s VAL 12 CO 0.39 0.10 -0.22 -0.60 0.00 0.00 0.00 175.10 174.77 1jh0 s ARG 13 N 1.41 1.56 0.00 2.72 3.52 -1.26 -5.07 118.95 121.83 1jh0 s ARG 13 Ca -0.06 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 1jh0 s ARG 13 Cb -0.12 -1.63 0.00 0.00 -1.56 0.00 0.00 34.95 31.64 1jh0 s ARG 13 CO -0.05 0.43 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 1jh0 n GLY 14 N 2.05 6.20 3.76 8.12 0.00 -1.26 -5.11 105.19 118.95 1jh0 n GLY 14 Ca -0.17 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1jh0 n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jh0 s PRO 15 N 1.00 4.22 0.18 1.61 0.02 -1.26 -4.90 135.00 135.86 1jh0 s PRO 15 Ca 0.00 2.41 -0.33 0.00 0.02 0.00 0.00 61.00 63.10 1jh0 s PRO 15 Cb 0.00 -3.04 -0.16 0.00 0.02 0.00 0.00 34.50 31.33 1jh0 s PRO 15 CO 0.00 -0.42 1.16 0.00 -0.33 0.00 0.00 177.00 177.40 1jh0 n ALA 16 N 1.26 -0.76 -2.55 -1.55 0.00 -1.26 -4.90 120.51 110.75 1jh0 n ALA 16 Ca 0.03 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 1jh0 n ALA 16 Cb 0.40 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 1jh0 n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jh0 s ASP 17 N -0.02 6.44 0.00 0.00 -1.08 -1.26 -4.92 116.67 115.84 1jh0 s ASP 17 Ca 0.73 -0.01 0.28 0.00 -0.52 0.00 0.00 52.55 53.03 1jh0 s ASP 17 Cb -0.85 -2.40 1.60 0.00 -1.46 0.00 0.00 42.92 39.81 1jh0 s ASP 17 CO 0.52 -0.91 1.99 0.18 0.52 0.00 0.00 175.17 177.47 1jh0 n LEU 18 N 6.75 0.00 -0.53 -1.34 7.99 -1.26 -4.69 117.00 123.92 1jh0 n LEU 18 Ca 0.03 0.07 0.07 0.00 -0.01 0.00 0.00 56.01 56.17 1jh0 n LEU 18 Cb 0.48 -0.07 -0.03 0.00 -0.11 0.00 0.00 43.42 43.70 1jh0 n LEU 18 CO 0.59 -0.01 -0.17 0.61 -1.51 0.00 0.00 177.39 176.90 1jh0 n GLY 19 N 0.81 -2.20 3.74 -0.72 0.00 -1.26 -4.92 105.19 100.63 1jh0 n GLY 19 Ca 0.19 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 1jh0 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jh0 s MET 20 N -2.46 1.88 -0.07 1.61 -1.94 -1.26 -5.02 119.30 112.04 1jh0 s MET 20 Ca 0.00 1.34 -0.08 0.00 -1.71 0.00 0.00 55.69 55.24 1jh0 s MET 20 Cb 0.00 -1.84 -0.03 0.00 2.01 0.00 0.00 34.83 34.97 1jh0 s MET 20 CO 0.00 -1.95 -0.16 2.41 -0.01 0.00 0.00 175.02 175.30 1jh0 n THR 21 N -3.64 0.88 -2.13 2.05 -1.04 -1.26 -4.98 114.28 104.15 1jh0 n THR 21 Ca 0.10 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1jh0 n THR 21 Cb 0.52 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 1jh0 n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jh0 n GLU 22 N -3.56 0.00 -0.79 -2.82 -0.58 -1.26 -1.87 120.64 109.77 1jh0 n GLU 22 Ca -0.07 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.65 1jh0 n GLU 22 Cb 0.24 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.37 1jh0 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1jh0 n ASP 23 N 1.39 4.30 -4.78 1.62 8.00 -0.99 -4.96 116.55 121.13 1jh0 n ASP 23 Ca 0.00 -2.90 -0.37 0.00 0.71 0.00 0.00 54.79 52.23 1jh0 n ASP 23 Cb 0.00 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.38 1jh0 n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jh0 s VAL 24 N -2.43 3.58 -0.89 2.53 1.01 -0.78 -4.92 120.40 118.51 1jh0 s VAL 24 Ca 0.43 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 63.41 1jh0 s VAL 24 Cb 0.34 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 33.18 1jh0 s VAL 24 CO 0.11 0.01 1.21 0.21 0.00 0.00 0.00 175.10 176.63 1jh0 s ASN 25 N -1.51 6.46 0.00 3.32 3.84 -1.26 -4.87 114.94 120.91 1jh0 s ASN 25 Ca 0.59 -1.51 0.00 0.00 0.21 0.00 0.00 52.86 52.15 1jh0 s ASN 25 Cb -0.24 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1jh0 s ASN 25 CO 0.29 -1.35 0.68 0.18 -2.79 0.00 0.00 177.10 174.12 1jh0 n LEU 26 N 7.76 0.00 0.10 3.21 4.77 -1.26 -1.36 117.00 130.22 1jh0 n LEU 26 Ca 0.19 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.52 1jh0 n LEU 26 Cb 0.49 -0.22 0.35 0.00 -2.33 0.00 0.00 43.42 41.71 1jh0 n LEU 26 CO 0.60 -0.22 0.78 0.00 -1.33 0.00 0.00 177.39 177.21 1jh0 n ALA 27 N -1.18 2.41 0.25 -1.18 0.00 -1.26 -3.57 120.51 115.98 1jh0 n ALA 27 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1jh0 n ALA 27 Cb 0.05 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 1jh0 n ALA 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jh0 n ASN 28 N -2.26 0.46 -4.70 0.00 3.02 -0.46 -4.92 115.26 106.39 1jh0 n ASN 28 Ca 0.05 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 1jh0 n ASN 28 Cb 0.44 1.19 -0.03 0.00 -0.61 0.00 0.00 39.78 40.77 1jh0 n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1jh0 s ARG 29 N -3.35 4.38 0.00 3.52 0.52 -1.23 -2.54 118.95 120.24 1jh0 s ARG 29 Ca -0.02 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.00 1jh0 s ARG 29 Cb 0.13 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1jh0 s ARG 29 CO 0.85 -0.37 0.00 -1.13 0.02 0.00 0.00 175.30 174.66 1jh0 n SER 30 N 4.46 -0.42 -4.84 0.23 3.41 -0.35 -4.97 113.62 111.14 1jh0 n SER 30 Ca 0.10 -0.56 -0.34 0.00 -0.26 0.00 0.00 58.87 57.81 1jh0 n SER 30 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1jh0 n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jh0 s GLY 31 N -2.33 2.10 -0.19 5.00 0.00 -1.26 -4.63 107.32 106.00 1jh0 s GLY 31 Ca 0.00 -0.78 -0.40 0.00 0.00 0.00 0.00 44.72 43.53 1jh0 s GLY 31 CO 0.00 -0.64 1.53 -0.62 0.00 0.00 0.00 173.10 173.38 1jh0 n VAL 32 N 1.27 0.14 -0.86 1.40 0.31 -1.26 -4.64 118.33 114.68 1jh0 n VAL 32 Ca -0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1jh0 n VAL 32 Cb 0.53 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1jh0 n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jh0 n GLY 33 N 3.41 -1.38 2.36 2.92 0.00 -0.87 -4.95 105.19 106.67 1jh0 n GLY 33 Ca 0.24 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 1jh0 n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jh0 n PRO 34 N -1.06 -2.64 -4.94 1.61 -0.04 -1.26 -4.59 135.00 122.08 1jh0 n PRO 34 Ca 0.00 -1.17 -0.33 0.00 -0.04 0.00 0.00 63.50 61.97 1jh0 n PRO 34 Cb 0.00 -1.13 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 1jh0 n PRO 34 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jh0 s PHE 35 N -2.28 2.70 -0.27 0.54 0.40 -1.26 -2.16 117.98 115.64 1jh0 s PHE 35 Ca 0.48 -0.64 -0.09 0.00 -0.60 0.00 0.00 56.93 56.08 1jh0 s PHE 35 Cb -0.05 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 1jh0 s PHE 35 CO 0.37 -0.18 0.12 0.45 0.70 0.00 0.00 175.22 176.68 1jh0 s SER 36 N 0.10 5.45 0.38 1.36 0.15 0.22 -4.93 113.70 116.42 1jh0 s SER 36 Ca -0.08 -0.25 0.16 0.00 0.70 0.00 0.00 55.95 56.48 1jh0 s SER 36 Cb -0.15 -1.99 0.75 0.00 -1.71 0.00 0.00 66.02 62.92 1jh0 s SER 36 CO 0.05 -0.08 1.80 0.74 1.20 0.00 0.00 173.24 176.95 1jh0 h THR 37 N 5.54 1.09 0.00 6.45 2.02 -1.98 -2.12 112.91 123.91 1jh0 h THR 37 Ca -0.36 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1jh0 h THR 37 Cb 1.17 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1jh0 h THR 37 CO 0.58 0.37 0.00 -0.11 0.37 0.00 0.00 175.52 176.73 1jh0 n LEU 38 N -3.82 0.01 0.17 2.58 7.94 -1.26 -2.62 117.00 119.99 1jh0 n LEU 38 Ca -0.01 0.94 0.18 0.00 -1.11 0.00 0.00 56.01 56.01 1jh0 n LEU 38 Cb 0.45 -0.48 0.68 0.00 0.53 0.00 0.00 43.42 44.60 1jh0 n LEU 38 CO 0.38 -0.48 1.16 -0.07 -1.11 0.00 0.00 177.39 177.26 1jh0 h LEU 39 N 0.00 0.00 -0.75 -1.96 3.38 -1.86 -1.04 115.31 113.07 1jh0 h LEU 39 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jh0 h LEU 39 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1jh0 h LEU 39 CO 0.00 0.00 0.44 1.23 0.09 0.00 0.00 178.44 180.20 1jh0 h GLY 40 N 0.00 1.10 2.00 0.83 0.00 -1.13 0.69 103.07 106.56 1jh0 h GLY 40 Ca 0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1jh0 h GLY 40 CO -0.00 0.45 -0.02 1.49 0.00 0.00 0.00 176.54 178.46 1jh0 h TRP 41 N 1.03 0.00 0.00 5.60 4.06 -1.15 -3.30 115.95 122.19 1jh0 h TRP 41 Ca 0.27 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.13 1jh0 h TRP 41 Cb -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1jh0 h TRP 41 CO -0.01 0.02 -1.17 0.34 -3.56 0.00 0.00 178.44 174.06 1jh0 n PHE 42 N -3.64 0.00 -0.61 0.49 7.35 -0.79 -1.53 117.46 118.73 1jh0 n PHE 42 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1jh0 n PHE 42 Cb 0.11 -0.51 0.00 0.00 0.35 0.00 0.00 39.48 39.43 1jh0 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jh0 n GLY 43 N 1.76 5.42 3.80 7.13 0.00 0.24 -4.90 105.19 118.63 1jh0 n GLY 43 Ca -0.19 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 1jh0 n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jh0 s ASN 44 N 1.00 5.93 0.14 1.61 0.01 -1.26 -4.09 114.94 118.29 1jh0 s ASN 44 Ca 0.00 1.88 0.22 0.00 -0.71 0.00 0.00 52.86 54.25 1jh0 s ASN 44 Cb 0.00 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.03 1jh0 s ASN 44 CO 0.00 -1.06 0.90 0.00 -1.51 0.00 0.00 177.10 175.43 1jh0 n ALA 45 N -1.66 2.55 -2.60 0.60 0.00 -1.26 -4.17 120.51 113.97 1jh0 n ALA 45 Ca 0.09 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1jh0 n ALA 45 Cb 0.53 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 1jh0 n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jh0 s GLN 46 N -3.37 4.10 0.08 0.00 0.74 -1.26 -0.61 119.66 119.34 1jh0 s GLN 46 Ca -0.02 1.21 -0.15 0.00 0.05 0.00 0.00 55.36 56.45 1jh0 s GLN 46 Cb 0.10 -3.74 -0.06 0.00 1.10 0.00 0.00 33.01 30.41 1jh0 s GLN 46 CO 0.82 -0.86 0.50 -0.51 -0.55 0.00 0.00 175.29 174.69 1jh0 s LEU 47 N 3.64 4.42 0.30 3.68 1.43 -0.92 -4.92 118.68 126.32 1jh0 s LEU 47 Ca 0.47 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1jh0 s LEU 47 Cb -0.14 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1jh0 s LEU 47 CO 0.14 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1jh0 n GLY 48 N 1.30 -2.08 3.83 -3.19 0.00 -1.26 -2.05 105.19 101.74 1jh0 n GLY 48 Ca -0.09 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 1jh0 n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jh0 s PRO 49 N -2.39 2.24 0.11 1.61 0.04 -1.26 -4.59 135.00 130.77 1jh0 s PRO 49 Ca 0.00 0.55 0.09 0.00 0.04 0.00 0.00 61.00 61.68 1jh0 s PRO 49 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1jh0 s PRO 49 CO 0.00 -1.49 -0.22 -1.50 0.04 0.00 0.00 177.00 173.83 1jh0 s ILE 50 N -3.24 1.85 -0.29 0.56 -1.16 -1.26 -4.93 121.20 112.73 1jh0 s ILE 50 Ca 0.60 -1.60 -0.13 0.00 -0.51 0.00 0.00 60.65 59.01 1jh0 s ILE 50 Cb -0.13 -1.67 -0.04 0.00 0.61 0.00 0.00 42.46 41.23 1jh0 s ILE 50 CO 0.53 -0.03 0.28 -0.47 -2.81 0.00 0.00 174.94 172.44 1jh0 s TYR 51 N -1.15 3.23 0.00 3.50 5.04 -1.26 -1.21 117.35 125.49 1jh0 s TYR 51 Ca 0.08 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 1jh0 s TYR 51 Cb -0.10 -2.49 0.00 0.00 0.35 0.00 0.00 41.96 39.72 1jh0 s TYR 51 CO 0.05 -0.23 0.00 1.28 -1.34 0.00 0.00 175.55 175.31 1jh0 n LEU 52 N 5.19 0.31 0.00 6.97 4.77 -1.05 -4.90 117.00 128.29 1jh0 n LEU 52 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1jh0 n LEU 52 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1jh0 n LEU 52 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1jh0 n GLY 53 N 2.94 -2.46 0.15 -0.72 0.00 -1.26 -3.17 105.19 100.68 1jh0 n GLY 53 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 1jh0 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jh0 h SER 54 N 0.00 0.34 -0.47 1.61 0.02 -2.00 -2.15 113.55 110.90 1jh0 h SER 54 Ca 0.00 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1jh0 h SER 54 Cb 0.00 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1jh0 h SER 54 CO 0.00 0.25 -0.09 0.25 -1.14 0.00 0.00 176.83 176.09 1jh0 h LEU 55 N 0.42 0.93 -0.66 5.07 5.85 -1.96 -1.28 115.31 123.69 1jh0 h LEU 55 Ca 0.13 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1jh0 h LEU 55 Cb -0.01 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1jh0 h LEU 55 CO -0.05 1.05 0.40 1.23 -0.34 0.00 0.00 178.44 180.72 1jh0 h GLY 56 N 0.96 0.95 0.90 3.75 0.00 -1.43 -2.24 103.07 105.97 1jh0 h GLY 56 Ca 0.14 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1jh0 h GLY 56 CO 0.04 0.23 -0.49 -2.08 0.00 0.00 0.00 176.54 174.24 1jh0 h VAL 57 N 0.76 1.35 -0.32 4.60 2.07 -1.17 -1.38 116.25 122.16 1jh0 h VAL 57 Ca 0.28 -1.78 0.06 0.00 0.82 0.00 0.00 66.70 66.08 1jh0 h VAL 57 Cb 0.08 2.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1jh0 h VAL 57 CO -0.13 0.54 -0.09 0.25 0.02 0.00 0.00 177.57 178.16 1jh0 h LEU 58 N 0.18 -0.34 0.46 2.57 5.85 -1.13 0.05 115.31 122.95 1jh0 h LEU 58 Ca -0.02 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1jh0 h LEU 58 Cb 1.12 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1jh0 h LEU 58 CO 0.10 -0.12 -0.25 -1.28 -0.34 0.00 0.00 178.44 176.55 1jh0 h SER 59 N -0.02 -0.61 -1.25 1.25 0.87 -1.42 -0.74 113.55 111.62 1jh0 h SER 59 Ca 0.16 0.03 0.36 0.00 -1.23 0.00 0.00 61.79 61.11 1jh0 h SER 59 Cb 0.26 0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 1jh0 h SER 59 CO -0.34 -0.40 0.94 0.25 -0.53 0.00 0.00 176.83 176.75 1jh0 h LEU 60 N -0.65 0.00 0.06 2.23 5.85 -1.07 0.36 115.31 122.09 1jh0 h LEU 60 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1jh0 h LEU 60 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1jh0 h LEU 60 CO 0.08 0.00 -0.03 0.15 -0.34 0.00 0.00 178.44 178.30 1jh0 h PHE 61 N 0.00 -0.08 -0.71 1.25 3.57 -0.68 -3.02 116.94 117.27 1jh0 h PHE 61 Ca 0.59 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.23 1jh0 h PHE 61 Cb 2.47 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 41.14 1jh0 h PHE 61 CO 0.00 0.33 0.22 0.77 -2.23 0.00 0.00 178.31 177.39 1jh0 h SER 62 N -0.98 0.12 -0.89 0.41 0.02 0.48 -0.54 113.55 112.18 1jh0 h SER 62 Ca -0.01 0.12 0.14 0.00 -0.84 0.00 0.00 61.79 61.21 1jh0 h SER 62 Cb 0.44 0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.03 1jh0 h SER 62 CO 0.01 0.03 0.49 1.23 -1.14 0.00 0.00 176.83 177.46 1jh0 h GLY 63 N 0.34 1.46 1.76 -3.77 0.00 -0.46 0.61 103.07 103.02 1jh0 h GLY 63 Ca 0.39 -0.30 -0.22 0.00 0.00 0.00 0.00 47.33 47.21 1jh0 h GLY 63 CO -0.44 0.00 -0.99 1.41 0.00 0.00 0.00 176.54 176.52 1jh0 h LEU 64 N 0.71 0.28 -0.51 3.11 3.38 -1.02 -2.47 115.31 118.78 1jh0 h LEU 64 Ca 0.48 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1jh0 h LEU 64 Cb 0.64 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1jh0 h LEU 64 CO -0.34 1.11 0.23 0.24 0.09 0.00 0.00 178.44 179.77 1jh0 h MET 65 N 0.09 0.75 -0.01 1.13 2.86 0.08 0.43 114.93 120.27 1jh0 h MET 65 Ca -0.06 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1jh0 h MET 65 Cb 1.67 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.19 1jh0 h MET 65 CO 0.15 0.64 -0.01 2.35 1.06 0.00 0.00 176.91 181.10 1jh0 h TRP 66 N 0.69 -0.02 -0.71 -0.22 7.01 -0.94 0.23 115.95 121.99 1jh0 h TRP 66 Ca 0.17 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1jh0 h TRP 66 Cb 0.15 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 1jh0 h TRP 66 CO -0.00 -0.02 0.35 0.35 -2.79 0.00 0.00 178.44 176.33 1jh0 h PHE 67 N -0.01 0.99 0.01 2.65 3.57 -1.01 -2.59 116.94 120.54 1jh0 h PHE 67 Ca 0.01 -0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.22 1jh0 h PHE 67 Cb 0.02 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.47 1jh0 h PHE 67 CO -0.09 0.72 -1.02 0.74 -2.23 0.00 0.00 178.31 176.42 1jh0 h PHE 68 N 1.00 0.88 -0.85 0.41 0.04 0.13 -2.94 116.94 115.62 1jh0 h PHE 68 Ca 0.25 -0.49 0.06 0.00 2.80 0.00 0.00 57.97 60.60 1jh0 h PHE 68 Cb 0.09 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 1jh0 h PHE 68 CO 0.01 1.32 0.52 1.15 -0.60 0.00 0.00 178.31 180.71 1jh0 h THR 69 N 0.33 1.03 0.33 -1.55 2.02 -0.31 0.23 112.91 114.99 1jh0 h THR 69 Ca -0.11 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1jh0 h THR 69 Cb 1.67 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1jh0 h THR 69 CO 0.19 0.17 -0.16 0.40 0.37 0.00 0.00 175.52 176.49 1jh0 h ILE 70 N 0.94 0.69 -0.84 3.11 1.08 -1.53 -3.16 117.51 117.80 1jh0 h ILE 70 Ca 0.37 -0.39 0.15 0.00 -0.39 0.00 0.00 64.86 64.61 1jh0 h ILE 70 Cb 0.19 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 1jh0 h ILE 70 CO -0.18 0.08 0.55 1.23 -0.69 0.00 0.00 178.15 179.13 1jh0 h GLY 71 N -0.66 0.98 0.86 5.37 0.00 -1.19 0.12 103.07 108.55 1jh0 h GLY 71 Ca -0.05 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1jh0 h GLY 71 CO 0.07 0.07 0.51 -2.22 0.00 0.00 0.00 176.54 174.97 1jh0 h ILE 72 N 0.56 1.11 -0.54 2.60 2.04 -0.55 -0.86 117.51 121.88 1jh0 h ILE 72 Ca 0.42 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.83 1jh0 h ILE 72 Cb 0.80 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1jh0 h ILE 72 CO -0.17 0.18 -0.12 -0.25 0.00 0.00 0.00 178.15 177.80 1jh0 h TRP 73 N 0.98 1.14 -0.41 1.37 2.91 -0.77 -1.88 115.95 119.30 1jh0 h TRP 73 Ca 0.32 -0.24 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 1jh0 h TRP 73 Cb 0.02 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.38 1jh0 h TRP 73 CO -0.03 1.06 0.15 0.74 -1.03 0.00 0.00 178.44 179.33 1jh0 h PHE 74 N 0.90 0.63 -0.76 2.65 -1.00 -0.81 -1.81 116.94 116.75 1jh0 h PHE 74 Ca 0.14 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1jh0 h PHE 74 Cb 0.68 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 40.02 1jh0 h PHE 74 CO 0.05 0.57 0.50 -1.49 -1.61 0.00 0.00 178.31 176.32 1jh0 h TRP 75 N 0.51 0.97 -0.25 -0.55 4.06 -1.11 -1.80 115.95 117.78 1jh0 h TRP 75 Ca 0.13 0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.16 1jh0 h TRP 75 Cb 0.21 -0.33 -0.06 0.00 -1.00 0.00 0.00 29.16 27.98 1jh0 h TRP 75 CO 0.00 0.62 -0.15 -0.92 -3.56 0.00 0.00 178.44 174.44 1jh0 h TYR 76 N 1.04 -0.37 0.00 0.49 3.20 -0.80 -0.14 116.97 120.39 1jh0 h TYR 76 Ca 0.28 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1jh0 h TYR 76 Cb -0.10 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1jh0 h TYR 76 CO -0.02 -0.22 -0.03 1.96 -1.64 0.00 0.00 178.16 178.22 1jh0 h GLN 77 N -0.13 0.00 -0.13 1.82 4.20 -0.96 -1.75 115.11 118.16 1jh0 h GLN 77 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1jh0 h GLN 77 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1jh0 h GLN 77 CO -0.33 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 177.86 1jh0 n ALA 78 N -2.12 2.54 -2.61 3.87 0.00 -0.13 -4.90 120.51 117.16 1jh0 n ALA 78 Ca -0.01 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.78 1jh0 n ALA 78 Cb 0.23 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1jh0 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jh0 n GLY 79 N 1.06 -0.51 2.50 0.00 0.00 -0.66 -1.56 105.19 106.02 1jh0 n GLY 79 Ca 0.16 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1jh0 n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jh0 n TRP 80 N -4.15 -0.11 -3.16 1.61 7.02 -0.81 -4.93 117.44 112.91 1jh0 n TRP 80 Ca -0.20 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 55.87 1jh0 n TRP 80 Cb 0.66 -2.68 -0.07 0.00 -2.42 0.00 0.00 31.31 26.81 1jh0 n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1jh0 s ASN 81 N -2.24 6.51 0.27 -0.99 3.84 -0.60 -4.97 114.94 116.76 1jh0 s ASN 81 Ca 0.00 0.58 -0.02 0.00 0.21 0.00 0.00 52.86 53.64 1jh0 s ASN 81 Cb 0.00 -2.31 0.44 0.00 -0.55 0.00 0.00 41.25 38.83 1jh0 s ASN 81 CO 0.00 -0.36 1.88 -0.65 -2.79 0.00 0.00 177.10 175.18 1jh0 h PRO 82 N 8.00 1.11 -0.54 0.43 0.11 -1.91 -1.75 132.00 137.44 1jh0 h PRO 82 Ca -0.28 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 1jh0 h PRO 82 Cb 1.13 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1jh0 h PRO 82 CO 0.76 0.73 -0.06 0.00 -0.21 0.00 0.00 178.00 179.22 1jh0 h ALA 83 N 1.47 0.73 0.27 -0.75 0.00 -1.95 -2.50 119.26 116.54 1jh0 h ALA 83 Ca 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jh0 h ALA 83 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jh0 h ALA 83 CO -0.17 0.61 -0.13 0.28 0.00 0.00 0.00 179.25 179.83 1jh0 h VAL 84 N 0.87 0.77 -0.84 0.00 2.07 -1.81 -0.95 116.25 116.36 1jh0 h VAL 84 Ca 0.15 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.17 1jh0 h VAL 84 Cb 0.62 1.09 -0.13 0.00 -1.52 0.00 0.00 31.29 31.35 1jh0 h VAL 84 CO 0.04 0.12 -0.46 0.15 0.02 0.00 0.00 177.57 177.44 1jh0 h PHE 85 N -0.70 -1.38 -0.78 1.57 3.57 -1.33 0.44 116.94 118.32 1jh0 h PHE 85 Ca -0.04 0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1jh0 h PHE 85 Cb 0.48 0.72 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 1jh0 h PHE 85 CO 0.02 -0.40 0.48 -0.07 -2.23 0.00 0.00 178.31 176.11 1jh0 h LEU 86 N -0.09 0.93 0.01 0.59 -0.00 -1.40 -0.70 115.31 114.65 1jh0 h LEU 86 Ca 0.23 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1jh0 h LEU 86 Cb 0.53 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1jh0 h LEU 86 CO -0.86 0.71 -0.00 -0.09 -0.00 0.00 0.00 178.44 178.19 1jh0 h ARG 87 N 1.07 -0.01 -0.58 1.13 2.43 0.12 -3.18 114.38 115.35 1jh0 h ARG 87 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1jh0 h ARG 87 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1jh0 h ARG 87 CO -0.05 0.15 0.00 -0.25 -1.51 0.00 0.00 179.97 178.30 1jh0 n ASP 88 N -5.02 5.57 -0.39 -3.80 8.00 0.49 -4.64 116.55 116.77 1jh0 n ASP 88 Ca -0.08 -2.86 0.35 0.00 0.71 0.00 0.00 54.79 52.92 1jh0 n ASP 88 Cb 0.11 -0.67 0.70 0.00 -0.02 0.00 0.00 41.12 41.23 1jh0 n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1jh0 h LEU 89 N 3.99 0.13 0.00 0.64 5.85 -1.10 0.49 115.31 125.31 1jh0 h LEU 89 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1jh0 h LEU 89 Cb 1.89 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 1jh0 h LEU 89 CO 0.45 -0.01 -0.24 -0.26 -0.34 0.00 0.00 178.44 178.04 1jh0 h PHE 90 N 0.09 0.00 0.00 1.25 -1.00 -1.86 -3.35 116.94 112.07 1jh0 h PHE 90 Ca 0.65 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.38 1jh0 h PHE 90 Cb 2.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.89 1jh0 h PHE 90 CO -0.00 0.10 -1.69 1.19 -1.61 0.00 0.00 178.31 176.29 1jh0 n PHE 91 N -3.07 0.38 -0.55 -0.55 3.01 0.17 -2.18 117.46 114.68 1jh0 n PHE 91 Ca 0.03 0.12 -0.30 0.00 1.01 0.00 0.00 57.45 58.31 1jh0 n PHE 91 Cb 0.57 -0.75 0.22 0.00 -0.01 0.00 0.00 39.48 39.52 1jh0 n PHE 91 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1jh0 n PHE 92 N -2.50 -1.52 -3.63 1.38 3.72 -1.00 -4.80 117.46 109.11 1jh0 n PHE 92 Ca -0.06 -0.06 -0.07 0.00 -0.05 0.00 0.00 57.45 57.21 1jh0 n PHE 92 Cb 0.65 -1.60 -0.07 0.00 -0.94 0.00 0.00 39.48 37.52 1jh0 n PHE 92 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jh0 s SER 93 N -2.13 -0.27 -0.61 4.37 0.15 -1.26 -4.59 113.70 109.36 1jh0 s SER 93 Ca 0.62 0.48 -0.06 0.00 0.70 0.00 0.00 55.95 57.69 1jh0 s SER 93 Cb -0.18 0.47 0.16 0.00 -1.71 0.00 0.00 66.02 64.76 1jh0 s SER 93 CO 0.65 -0.12 0.46 -0.22 1.20 0.00 0.00 173.24 175.22 1jh0 s LEU 94 N -0.10 5.64 0.64 3.45 2.96 -0.52 -4.97 118.68 125.78 1jh0 s LEU 94 Ca 0.04 -2.56 -0.12 0.00 -0.22 0.00 0.00 54.13 51.27 1jh0 s LEU 94 Cb -0.04 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1jh0 s LEU 94 CO -0.09 -0.49 1.05 -1.61 -1.32 0.00 0.00 176.35 173.89 1jh0 s GLU 95 N 0.38 3.21 0.84 1.98 0.41 -1.26 -2.22 118.70 122.04 1jh0 s GLU 95 Ca 0.14 0.98 -0.13 0.00 -0.41 0.00 0.00 54.97 55.56 1jh0 s GLU 95 Cb -0.20 -2.03 0.11 0.00 -1.78 0.00 0.00 34.13 30.23 1jh0 s GLU 95 CO -0.04 -0.88 1.21 -1.25 -0.49 0.00 0.00 175.26 173.81 1jh0 s PRO 96 N -4.75 1.66 0.83 0.39 0.04 -1.26 -4.25 135.00 127.66 1jh0 s PRO 96 Ca 0.59 -0.00 -0.13 0.00 0.04 0.00 0.00 61.00 61.50 1jh0 s PRO 96 Cb -0.14 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.56 1jh0 s PRO 96 CO 0.48 -1.79 1.09 -0.35 0.04 0.00 0.00 177.00 176.47 1jh0 n PRO 97 N -3.43 0.04 -1.20 0.56 -0.04 -1.25 -4.48 135.00 125.21 1jh0 n PRO 97 Ca 0.10 0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 63.34 1jh0 n PRO 97 Cb 0.61 -2.34 0.11 0.00 -0.04 0.00 0.00 33.50 31.83 1jh0 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jh0 s ALA 98 N -2.22 2.04 0.30 0.55 0.00 -1.25 -3.88 121.76 117.31 1jh0 s ALA 98 Ca 0.71 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1jh0 s ALA 98 Cb -0.28 -3.27 0.73 0.00 0.00 0.00 0.00 23.12 20.30 1jh0 s ALA 98 CO 0.54 -1.97 1.78 -1.35 0.00 0.00 0.00 175.76 174.75 1jh0 h PRO 99 N -1.28 0.74 -0.56 0.00 0.11 -1.94 -2.94 132.00 126.14 1jh0 h PRO 99 Ca -0.45 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.73 1jh0 h PRO 99 Cb 1.24 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.08 1jh0 h PRO 99 CO 0.51 0.49 -0.20 0.93 -0.21 0.00 0.00 178.00 179.52 1jh0 h GLU 100 N 0.76 -0.06 0.00 1.05 3.07 -1.99 -0.45 114.58 116.96 1jh0 h GLU 100 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 1jh0 h GLU 100 Cb 0.89 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1jh0 h GLU 100 CO -0.38 -0.04 0.00 0.66 -1.40 0.00 0.00 179.01 177.85 1jh0 n TYR 101 N -5.42 0.28 -1.29 4.33 4.01 -1.11 -4.92 117.16 113.04 1jh0 n TYR 101 Ca 0.06 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1jh0 n TYR 101 Cb 0.32 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 1jh0 n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jh0 n GLY 102 N -1.07 2.92 2.16 2.72 0.00 -0.18 -2.18 105.19 109.56 1jh0 n GLY 102 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1jh0 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jh0 n LEU 103 N 0.00 6.79 -4.92 0.99 4.77 -1.21 -2.87 117.00 120.55 1jh0 n LEU 103 Ca 0.00 -3.66 -0.21 0.00 -0.03 0.00 0.00 56.01 52.11 1jh0 n LEU 103 Cb 0.00 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 1jh0 n LEU 103 CO 0.00 1.15 -0.08 -0.94 -1.33 0.00 0.00 177.39 176.19 1jh0 s SER 104 N -1.22 6.06 -0.03 -1.43 1.04 -0.93 -5.00 113.70 112.19 1jh0 s SER 104 Ca 0.54 -0.04 0.21 0.00 0.48 0.00 0.00 55.95 57.15 1jh0 s SER 104 Cb 0.44 -1.71 0.67 0.00 0.10 0.00 0.00 66.02 65.53 1jh0 s SER 104 CO 0.06 -0.06 1.57 0.49 0.98 0.00 0.00 173.24 176.27 1jh0 n PHE 105 N -1.34 1.12 0.00 5.02 3.01 -1.26 -4.44 117.46 119.57 1jh0 n PHE 105 Ca -0.09 -0.52 -0.09 0.00 1.01 0.00 0.00 57.45 57.76 1jh0 n PHE 105 Cb 0.57 -0.07 0.06 0.00 -0.01 0.00 0.00 39.48 40.04 1jh0 n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jh0 h ALA 106 N 4.30 0.71 -0.83 4.37 0.00 -1.94 -3.47 119.26 122.39 1jh0 h ALA 106 Ca 0.00 -0.50 -0.57 0.00 0.00 0.00 0.00 54.91 53.84 1jh0 h ALA 106 Cb 1.11 -0.09 0.09 0.00 0.00 0.00 0.00 17.79 18.90 1jh0 h ALA 106 CO 0.06 0.68 -0.39 0.00 0.00 0.00 0.00 179.25 179.61 1jh0 n ALA 107 N -2.52 -2.63 -1.52 0.00 0.00 -1.26 -4.89 120.51 107.70 1jh0 n ALA 107 Ca -0.03 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.45 1jh0 n ALA 107 Cb 0.59 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.74 1jh0 n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jh0 s PRO 108 N -0.74 2.68 0.16 0.00 0.04 -1.26 -4.13 135.00 131.75 1jh0 s PRO 108 Ca 0.56 1.57 -0.24 0.00 0.04 0.00 0.00 61.00 62.93 1jh0 s PRO 108 Cb -0.81 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 31.86 1jh0 s PRO 108 CO 0.47 -1.37 1.60 -0.07 0.04 0.00 0.00 177.00 177.66 1jh0 h LEU 109 N 0.15 -1.12 0.00 -3.56 3.38 -1.91 -1.57 115.31 110.68 1jh0 h LEU 109 Ca -0.48 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1jh0 h LEU 109 Cb 1.27 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1jh0 h LEU 109 CO 0.53 -0.33 0.00 0.29 0.09 0.00 0.00 178.44 179.02 1jh0 n LYS 110 N -5.42 0.14 -2.77 1.13 5.02 -1.26 -2.43 118.16 112.58 1jh0 n LYS 110 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 1jh0 n LYS 110 Cb 0.34 -1.29 0.07 0.00 -0.02 0.00 0.00 35.03 34.13 1jh0 n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jh0 n GLU 111 N -0.79 1.54 0.00 1.97 1.02 -0.69 -4.97 120.64 118.72 1jh0 n GLU 111 Ca 0.02 -2.74 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 1jh0 n GLU 111 Cb 0.01 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1jh0 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jh0 n GLY 112 N -0.82 1.85 0.12 0.62 0.00 -1.15 -3.79 105.19 102.02 1jh0 n GLY 112 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jh0 n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jh0 h GLY 113 N 0.00 0.33 1.74 -0.02 0.00 -1.20 -2.05 103.07 101.88 1jh0 h GLY 113 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.04 1jh0 h GLY 113 CO 0.00 0.29 0.10 -2.00 0.00 0.00 0.00 176.54 174.93 1jh0 h LEU 114 N -0.06 0.00 -0.14 3.11 5.85 -1.70 0.18 115.31 122.55 1jh0 h LEU 114 Ca 0.03 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1jh0 h LEU 114 Cb 0.60 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1jh0 h LEU 114 CO 0.03 0.00 -0.20 -0.25 -0.34 0.00 0.00 178.44 177.68 1jh0 h TRP 115 N 0.00 0.47 -0.55 1.25 7.01 -1.76 -2.08 115.95 120.30 1jh0 h TRP 115 Ca 0.05 -0.16 -0.04 0.00 2.11 0.00 0.00 58.89 60.86 1jh0 h TRP 115 Cb 0.25 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 1jh0 h TRP 115 CO 0.00 0.82 0.19 -0.07 -2.79 0.00 0.00 178.44 176.59 1jh0 h LEU 116 N -0.01 0.74 0.52 0.65 3.38 -0.23 0.56 115.31 120.93 1jh0 h LEU 116 Ca 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1jh0 h LEU 116 Cb 0.76 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1jh0 h LEU 116 CO 0.05 0.68 -0.28 0.40 0.09 0.00 0.00 178.44 179.38 1jh0 h ILE 117 N 0.79 0.00 -0.44 1.22 1.08 -0.68 -2.18 117.51 117.30 1jh0 h ILE 117 Ca 0.19 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.71 1jh0 h ILE 117 Cb 0.20 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.86 1jh0 h ILE 117 CO -0.01 0.00 -0.52 0.00 -0.69 0.00 0.00 178.15 176.93 1jh0 h ALA 118 N -1.58 -0.65 -0.93 1.87 0.00 -1.10 -0.31 119.26 116.56 1jh0 h ALA 118 Ca -0.07 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.08 1jh0 h ALA 118 Cb 0.57 1.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.31 1jh0 h ALA 118 CO 0.10 -0.99 0.48 0.77 0.00 0.00 0.00 179.25 179.61 1jh0 h SER 119 N -0.36 0.51 -0.12 0.00 0.02 -0.92 0.24 113.55 112.93 1jh0 h SER 119 Ca 0.10 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1jh0 h SER 119 Cb 0.59 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1jh0 h SER 119 CO -0.61 0.09 -0.14 0.15 -1.14 0.00 0.00 176.83 175.18 1jh0 h PHE 120 N 0.53 -0.34 -0.99 3.45 3.57 -0.39 0.65 116.94 123.41 1jh0 h PHE 120 Ca 0.57 0.02 0.05 0.00 3.53 0.00 0.00 57.97 62.14 1jh0 h PHE 120 Cb 1.03 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 1jh0 h PHE 120 CO -0.08 -0.20 0.65 0.74 -2.23 0.00 0.00 178.31 177.19 1jh0 h PHE 121 N -0.17 1.21 -0.01 0.41 0.04 -0.22 -1.09 116.94 117.10 1jh0 h PHE 121 Ca 0.09 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.76 1jh0 h PHE 121 Cb 0.30 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 1jh0 h PHE 121 CO -0.25 0.66 -0.58 1.98 -0.60 0.00 0.00 178.31 179.53 1jh0 h MET 122 N 1.22 0.02 -0.35 1.51 4.05 0.29 -0.79 114.93 120.88 1jh0 h MET 122 Ca 0.41 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.68 1jh0 h MET 122 Cb 0.08 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1jh0 h MET 122 CO -0.14 0.59 -0.34 0.35 0.23 0.00 0.00 176.91 177.59 1jh0 h PHE 123 N 0.02 0.92 0.23 1.39 3.04 0.14 -2.07 116.94 120.60 1jh0 h PHE 123 Ca -0.01 -0.25 -0.01 0.00 3.98 0.00 0.00 57.97 61.68 1jh0 h PHE 123 Cb 1.02 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1jh0 h PHE 123 CO 0.00 1.01 -0.11 0.28 -2.02 0.00 0.00 178.31 177.48 1jh0 h VAL 124 N 0.65 0.74 -0.78 1.41 2.07 -1.12 -3.12 116.25 116.10 1jh0 h VAL 124 Ca 0.07 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.77 1jh0 h VAL 124 Cb 0.89 1.19 -0.12 0.00 -1.52 0.00 0.00 31.29 31.73 1jh0 h VAL 124 CO 0.08 0.17 -0.51 0.00 0.02 0.00 0.00 177.57 177.32 1jh0 h ALA 125 N -0.31 -0.43 -1.42 1.67 0.00 -1.13 -1.50 119.26 116.13 1jh0 h ALA 125 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jh0 h ALA 125 Cb 0.51 1.17 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1jh0 h ALA 125 CO 0.05 -0.90 0.00 0.28 0.00 0.00 0.00 179.25 178.68 1jh0 n VAL 126 N -5.35 0.00 -0.30 0.00 0.31 -0.78 -1.83 118.33 110.38 1jh0 n VAL 126 Ca 0.02 1.26 0.12 0.00 -0.01 0.00 0.00 64.34 65.73 1jh0 n VAL 126 Cb 0.32 -2.16 0.26 0.00 -0.91 0.00 0.00 33.84 31.35 1jh0 n VAL 126 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 1jh0 h TRP 127 N 0.00 0.09 -0.71 3.52 4.06 -1.50 0.66 115.95 122.07 1jh0 h TRP 127 Ca 0.00 0.06 0.04 0.00 2.06 0.00 0.00 58.89 61.05 1jh0 h TRP 127 Cb 0.00 0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 28.21 1jh0 h TRP 127 CO -0.00 -0.31 0.43 0.66 -3.56 0.00 0.00 178.44 175.66 1jh0 h SER 128 N 0.10 0.68 0.08 -3.49 4.64 -1.30 0.19 113.55 114.44 1jh0 h SER 128 Ca 0.54 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.84 1jh0 h SER 128 Cb 1.07 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1jh0 h SER 128 CO -0.76 0.46 -0.12 -0.25 -0.87 0.00 0.00 176.83 175.28 1jh0 h TRP 129 N 0.82 0.10 0.67 4.77 2.91 0.10 -0.55 115.95 124.77 1jh0 h TRP 129 Ca 0.30 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.28 1jh0 h TRP 129 Cb 0.10 -0.03 0.01 0.00 -0.51 0.00 0.00 29.16 28.73 1jh0 h TRP 129 CO -0.05 0.22 -0.32 2.35 -1.03 0.00 0.00 178.44 179.60 1jh0 h TRP 130 N 0.09 -0.83 -0.95 2.65 7.01 0.89 -1.96 115.95 122.85 1jh0 h TRP 130 Ca 0.02 -0.02 0.24 0.00 2.11 0.00 0.00 58.89 61.24 1jh0 h TRP 130 Cb 0.27 0.28 -0.18 0.00 -2.10 0.00 0.00 29.16 27.43 1jh0 h TRP 130 CO 0.00 -0.49 -0.03 0.78 -2.79 0.00 0.00 178.44 175.91 1jh0 h GLY 131 N -1.16 1.07 0.46 2.65 0.00 -0.35 0.27 103.07 106.01 1jh0 h GLY 131 Ca -0.09 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1jh0 h GLY 131 CO 0.15 -0.45 -0.13 -0.09 0.00 0.00 0.00 176.54 176.03 1jh0 h ARG 132 N 0.02 -0.13 0.00 4.80 2.43 -0.85 0.40 114.38 121.05 1jh0 h ARG 132 Ca 0.54 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1jh0 h ARG 132 Cb 1.04 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1jh0 h ARG 132 CO -0.90 -0.08 0.00 0.25 -1.51 0.00 0.00 179.97 177.72 1jh0 n THR 133 N -5.28 0.91 -0.12 0.20 -2.24 0.89 -1.34 114.28 107.30 1jh0 n THR 133 Ca -0.02 0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.73 1jh0 n THR 133 Cb 0.20 -1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 67.24 1jh0 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jh0 n TYR 134 N -1.33 0.49 -0.19 4.78 4.19 -0.02 -4.24 117.16 120.83 1jh0 n TYR 134 Ca 0.04 0.20 -0.04 0.00 3.31 0.00 0.00 57.90 61.41 1jh0 n TYR 134 Cb 0.08 -1.05 0.14 0.00 0.49 0.00 0.00 39.34 39.00 1jh0 n TYR 134 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1jh0 h LEU 135 N -0.88 0.91 -1.42 2.98 3.38 -0.68 -2.45 115.31 117.14 1jh0 h LEU 135 Ca -0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1jh0 h LEU 135 Cb 1.53 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1jh0 h LEU 135 CO -0.29 0.85 0.26 0.03 0.09 0.00 0.00 178.44 179.37 1jh0 h ARG 136 N 0.94 0.65 -0.02 1.13 2.47 -1.44 -1.21 114.38 116.91 1jh0 h ARG 136 Ca 0.21 -0.06 -0.21 0.00 -1.26 0.00 0.00 59.98 58.66 1jh0 h ARG 136 Cb 0.27 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1jh0 h ARG 136 CO -0.01 0.48 -0.87 0.00 0.56 0.00 0.00 179.97 180.13 1jh0 h ALA 137 N 1.63 0.45 -0.51 0.04 0.00 -1.65 -2.97 119.26 116.24 1jh0 h ALA 137 Ca 0.17 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1jh0 h ALA 137 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jh0 h ALA 137 CO -0.03 0.81 -0.08 0.37 0.00 0.00 0.00 179.25 180.32 1jh0 h GLN 138 N 0.23 0.95 -0.82 0.00 4.15 -0.99 0.15 115.11 118.79 1jh0 h GLN 138 Ca -0.06 -0.35 0.01 0.00 0.77 0.00 0.00 58.65 59.02 1jh0 h GLN 138 Cb 1.49 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 29.07 1jh0 h GLN 138 CO 0.15 1.01 0.54 0.00 -1.93 0.00 0.00 178.83 178.60 1jh0 h ALA 139 N 0.91 1.43 -0.00 3.38 0.00 -1.22 -1.29 119.26 122.46 1jh0 h ALA 139 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jh0 h ALA 139 Cb 0.64 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jh0 h ALA 139 CO 0.04 0.53 -0.28 1.28 0.00 0.00 0.00 179.25 180.82 1jh0 n LEU 140 N -4.41 0.46 -0.50 0.00 4.77 -1.06 -2.34 117.00 113.91 1jh0 n LEU 140 Ca 0.09 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 1jh0 n LEU 140 Cb 0.03 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1jh0 n LEU 140 CO 0.36 0.10 -0.06 0.61 -1.33 0.00 0.00 177.39 177.07 1jh0 n GLY 141 N 1.43 0.46 4.01 -0.72 0.00 -0.03 -4.97 105.19 105.37 1jh0 n GLY 141 Ca 0.09 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 1jh0 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jh0 s MET 142 N -3.37 2.63 0.92 1.61 -1.94 0.31 -5.00 119.30 114.47 1jh0 s MET 142 Ca 0.00 -1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 52.65 1jh0 s MET 142 Cb 0.00 -2.67 0.15 0.00 2.01 0.00 0.00 34.83 34.31 1jh0 s MET 142 CO 0.00 -0.51 1.09 0.20 -0.01 0.00 0.00 175.02 175.79 1jh0 s GLY 143 N -4.44 1.62 -0.05 -0.03 0.00 -1.26 -4.51 107.32 98.66 1jh0 s GLY 143 Ca 0.57 0.06 0.13 0.00 0.00 0.00 0.00 44.72 45.48 1jh0 s GLY 143 CO 0.36 0.56 1.33 0.28 0.00 0.00 0.00 173.10 175.62 1jh0 n LYS 144 N -4.05 2.54 -0.19 2.90 4.76 -1.26 -4.59 118.16 118.27 1jh0 n LYS 144 Ca 0.07 -1.80 -0.09 0.00 -2.87 0.00 0.00 58.31 53.63 1jh0 n LYS 144 Cb 0.54 -1.57 -0.04 0.00 -1.84 0.00 0.00 35.03 32.13 1jh0 n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jh0 h HIS 145 N 2.69 -1.25 -1.00 2.13 3.86 -1.97 -0.64 115.15 118.98 1jh0 h HIS 145 Ca 0.00 0.08 0.13 0.00 -1.16 0.00 0.00 60.37 59.42 1jh0 h HIS 145 Cb 0.89 0.62 -0.09 0.00 1.06 0.00 0.00 27.41 29.90 1jh0 h HIS 145 CO 0.44 -0.42 0.63 1.15 0.86 0.00 0.00 177.93 180.58 1jh0 h THR 146 N -0.24 0.89 -0.42 2.45 2.02 -1.91 0.15 112.91 115.84 1jh0 h THR 146 Ca 0.17 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1jh0 h THR 146 Cb 0.57 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1jh0 h THR 146 CO -0.66 0.17 -0.01 0.00 0.37 0.00 0.00 175.52 175.39 1jh0 h ALA 147 N 1.55 0.57 -0.36 6.16 0.00 -1.36 -2.37 119.26 123.45 1jh0 h ALA 147 Ca 0.51 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1jh0 h ALA 147 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jh0 h ALA 147 CO -0.28 0.37 -0.08 -1.49 0.00 0.00 0.00 179.25 177.77 1jh0 h TRP 148 N 0.59 0.77 0.00 0.00 -0.00 0.07 -2.47 115.95 114.91 1jh0 h TRP 148 Ca 0.12 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.89 58.81 1jh0 h TRP 148 Cb 0.50 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 29.47 1jh0 h TRP 148 CO 0.04 0.83 -0.16 0.00 -0.00 0.00 0.00 178.44 179.16 1jh0 h ALA 149 N 0.82 1.36 -0.01 1.49 0.00 -0.74 -1.77 119.26 120.43 1jh0 h ALA 149 Ca 0.09 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1jh0 h ALA 149 Cb 0.58 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1jh0 h ALA 149 CO 0.03 0.20 -0.78 0.35 0.00 0.00 0.00 179.25 179.05 1jh0 h PHE 150 N 0.00 0.13 -0.74 0.00 3.57 -1.20 -3.07 116.94 115.63 1jh0 h PHE 150 Ca -0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1jh0 h PHE 150 Cb 0.37 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1jh0 h PHE 150 CO 0.00 0.83 0.48 1.25 -2.23 0.00 0.00 178.31 178.64 1jh0 h LEU 151 N 0.06 0.86 -0.82 0.59 5.85 -0.86 -0.85 115.31 120.15 1jh0 h LEU 151 Ca -0.02 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.82 1jh0 h LEU 151 Cb 1.37 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 1jh0 h LEU 151 CO 0.11 0.64 0.38 -1.28 -0.34 0.00 0.00 178.44 177.95 1jh0 h SER 152 N 1.01 0.42 -0.27 1.25 0.87 -1.47 0.64 113.55 115.99 1jh0 h SER 152 Ca 0.27 0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.78 1jh0 h SER 152 Cb -0.09 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1jh0 h SER 152 CO -0.06 0.15 -0.43 0.00 -0.53 0.00 0.00 176.83 175.96 1jh0 h ALA 153 N 1.57 0.42 -0.98 6.23 0.00 -1.45 -2.93 119.26 122.14 1jh0 h ALA 153 Ca 0.46 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1jh0 h ALA 153 Cb 0.70 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1jh0 h ALA 153 CO -0.40 0.55 0.63 0.82 0.00 0.00 0.00 179.25 180.85 1jh0 h ILE 154 N 0.53 1.08 -0.38 0.00 2.04 0.62 -2.39 117.51 119.00 1jh0 h ILE 154 Ca 0.02 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1jh0 h ILE 154 Cb 1.03 -0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 1jh0 h ILE 154 CO 0.10 0.21 -0.50 -0.25 0.00 0.00 0.00 178.15 177.71 1jh0 h TRP 155 N 1.14 -1.48 -0.38 1.37 -0.00 0.34 0.85 115.95 117.78 1jh0 h TRP 155 Ca 0.42 0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 59.37 1jh0 h TRP 155 Cb 0.16 0.70 -0.02 0.00 -0.00 0.00 0.00 29.16 30.01 1jh0 h TRP 155 CO -0.01 -0.47 0.16 1.25 -0.00 0.00 0.00 178.44 179.37 1jh0 h LEU 156 N -0.38 0.51 -0.29 0.65 5.85 -1.53 -0.05 115.31 120.07 1jh0 h LEU 156 Ca 0.10 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1jh0 h LEU 156 Cb 0.60 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1jh0 h LEU 156 CO -0.57 0.53 -0.09 -0.25 -0.34 0.00 0.00 178.44 177.71 1jh0 h TRP 157 N 0.47 -0.21 -0.96 1.25 7.01 -0.82 -0.81 115.95 121.88 1jh0 h TRP 157 Ca 0.13 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.17 1jh0 h TRP 157 Cb 0.17 0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.32 1jh0 h TRP 157 CO -0.01 -0.15 0.64 0.52 -2.79 0.00 0.00 178.44 176.65 1jh0 h MET 158 N -0.03 1.26 0.60 2.65 2.86 0.11 -2.95 114.93 119.42 1jh0 h MET 158 Ca 0.14 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1jh0 h MET 158 Cb 0.25 -0.28 0.01 0.00 0.06 0.00 0.00 31.60 31.63 1jh0 h MET 158 CO -0.32 0.84 -0.29 0.28 1.06 0.00 0.00 176.91 178.48 1jh0 h VAL 159 N 1.30 0.27 -0.79 -2.22 2.07 -0.29 0.18 116.25 116.78 1jh0 h VAL 159 Ca 0.36 -0.32 0.18 0.00 0.82 0.00 0.00 66.70 67.73 1jh0 h VAL 159 Cb -0.14 0.36 -0.14 0.00 -1.52 0.00 0.00 31.29 29.84 1jh0 h VAL 159 CO -0.08 0.03 -0.08 -0.07 0.02 0.00 0.00 177.57 177.39 1jh0 h LEU 160 N -1.05 -0.53 0.00 2.57 3.38 -1.11 -0.57 115.31 118.01 1jh0 h LEU 160 Ca -0.08 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jh0 h LEU 160 Cb 0.67 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jh0 h LEU 160 CO 0.13 -0.23 -1.53 0.61 0.09 0.00 0.00 178.44 177.52 1jh0 n GLY 161 N -1.47 -0.56 0.63 0.83 0.00 -1.12 -4.39 105.19 99.12 1jh0 n GLY 161 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1jh0 n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jh0 n PHE 162 N -1.91 0.00 -0.17 1.61 7.35 -0.19 -4.56 117.46 119.59 1jh0 n PHE 162 Ca -0.02 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.64 1jh0 n PHE 162 Cb 0.32 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.19 1jh0 n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1jh0 h ILE 163 N 0.00 0.38 -0.20 -2.13 1.08 -0.77 -1.84 117.51 114.04 1jh0 h ILE 163 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 1jh0 h ILE 163 Cb 0.00 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 34.13 1jh0 h ILE 163 CO 0.00 0.00 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.19 1jh0 h ARG 164 N -0.06 0.47 0.00 2.37 2.43 -1.31 -2.58 114.38 115.71 1jh0 h ARG 164 Ca 0.25 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1jh0 h ARG 164 Cb 0.45 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1jh0 h ARG 164 CO -0.58 0.81 -0.05 -1.35 -1.51 0.00 0.00 179.97 177.29 1jh0 h PRO 165 N 0.14 0.00 -0.01 0.20 0.11 -1.70 -1.47 132.00 129.27 1jh0 h PRO 165 Ca 0.03 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.90 1jh0 h PRO 165 Cb 0.72 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.85 1jh0 h PRO 165 CO 0.05 0.05 -0.94 0.82 -0.21 0.00 0.00 178.00 177.77 1jh0 h ILE 166 N 0.00 1.31 0.00 4.15 1.08 -1.25 -2.64 117.51 120.17 1jh0 h ILE 166 Ca -0.00 -2.19 0.00 0.00 -0.39 0.00 0.00 64.86 62.28 1jh0 h ILE 166 Cb 0.16 2.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.31 1jh0 h ILE 166 CO 0.01 0.67 0.00 0.18 -0.69 0.00 0.00 178.15 178.32 1jh0 n LEU 167 N -3.94 0.44 -0.06 1.44 4.77 -0.81 -3.30 117.00 115.53 1jh0 n LEU 167 Ca -0.11 0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 1jh0 n LEU 167 Cb 0.83 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 41.30 1jh0 n LEU 167 CO 0.54 -0.28 -0.88 0.23 -1.33 0.00 0.00 177.39 175.67 1jh0 n MET 168 N -1.94 0.66 0.00 3.23 2.81 -0.62 -4.97 117.12 116.29 1jh0 n MET 168 Ca 0.04 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1jh0 n MET 168 Cb 0.29 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1jh0 n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jh0 n GLY 169 N 1.66 0.81 3.46 3.03 0.00 -1.06 -5.10 105.19 107.98 1jh0 n GLY 169 Ca -0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1jh0 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jh0 s SER 170 N -1.61 -0.56 0.00 1.61 1.04 -1.02 -3.33 113.70 109.84 1jh0 s SER 170 Ca 0.00 0.81 0.22 0.00 0.48 0.00 0.00 55.95 57.46 1jh0 s SER 170 Cb 0.00 0.79 1.19 0.00 0.10 0.00 0.00 66.02 68.09 1jh0 s SER 170 CO 0.00 -0.41 1.71 0.79 0.98 0.00 0.00 173.24 176.31 1jh0 n TRP 171 N 1.76 0.00 0.77 5.02 5.03 -1.14 -2.95 117.44 125.93 1jh0 n TRP 171 Ca -0.17 0.00 0.10 0.00 3.03 0.00 0.00 57.50 60.45 1jh0 n TRP 171 Cb 0.56 -0.19 0.45 0.00 -1.03 0.00 0.00 31.31 31.10 1jh0 n TRP 171 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 1jh0 n SER 172 N -1.19 0.00 -0.29 -0.99 3.41 -1.25 -2.70 113.62 110.61 1jh0 n SER 172 Ca 0.13 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 1jh0 n SER 172 Cb 0.14 -0.42 0.19 0.00 -0.26 0.00 0.00 64.21 63.85 1jh0 n SER 172 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jh0 n GLU 173 N -1.42 0.83 -1.90 4.33 -0.58 -1.15 -4.95 120.64 115.79 1jh0 n GLU 173 Ca 0.06 -0.59 -0.30 0.00 -0.42 0.00 0.00 57.16 55.91 1jh0 n GLU 173 Cb 0.20 -1.49 0.17 0.00 -0.57 0.00 0.00 31.44 29.76 1jh0 n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jh0 s ALA 174 N -2.58 2.24 0.12 0.62 0.00 -1.10 -4.86 121.76 116.20 1jh0 s ALA 174 Ca 0.20 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1jh0 s ALA 174 Cb 0.18 -2.81 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 1jh0 s ALA 174 CO 0.58 -2.36 0.56 0.08 0.00 0.00 0.00 175.76 174.62 1jh0 s VAL 175 N -3.82 4.81 0.21 0.00 1.01 -1.26 -4.90 120.40 116.45 1jh0 s VAL 175 Ca 0.72 0.99 -0.15 0.00 0.00 0.00 0.00 61.98 63.54 1jh0 s VAL 175 Cb -0.05 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 1jh0 s VAL 175 CO 0.53 0.37 0.63 -2.16 0.00 0.00 0.00 175.10 174.46 1jh0 s PRO 176 N -1.62 4.04 -0.60 2.72 0.04 -1.26 -4.83 135.00 133.48 1jh0 s PRO 176 Ca 0.34 0.60 -0.25 0.00 0.04 0.00 0.00 61.00 61.73 1jh0 s PRO 176 Cb -0.17 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.63 1jh0 s PRO 176 CO 0.19 0.37 1.04 0.71 0.04 0.00 0.00 177.00 179.36 1jh0 s TYR 177 N -1.63 2.67 -0.25 0.56 2.02 -0.94 -4.36 117.35 115.41 1jh0 s TYR 177 Ca 0.44 -0.02 -0.28 0.00 -0.37 0.00 0.00 57.07 56.84 1jh0 s TYR 177 Cb -0.14 -4.28 0.17 0.00 -0.40 0.00 0.00 41.96 37.31 1jh0 s TYR 177 CO 0.20 -1.55 1.26 0.20 -1.57 0.00 0.00 175.55 174.08 1jh0 s GLY 178 N 3.12 0.02 -0.00 0.71 0.00 -1.26 -1.44 107.32 108.48 1jh0 s GLY 178 Ca 0.32 2.73 -0.02 0.00 0.00 0.00 0.00 44.72 47.76 1jh0 s GLY 178 CO 0.18 1.28 0.64 -2.22 0.00 0.00 0.00 173.10 172.99 1jh0 h ILE 179 N 2.47 0.00 -0.53 0.90 2.04 -1.81 -2.74 117.51 117.84 1jh0 h ILE 179 Ca -0.15 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1jh0 h ILE 179 Cb 1.18 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1jh0 h ILE 179 CO 0.23 0.00 0.06 -0.26 0.00 0.00 0.00 178.15 178.18 1jh0 h PHE 180 N -0.09 0.96 -0.40 1.37 0.04 -1.75 -3.17 116.94 113.90 1jh0 h PHE 180 Ca -0.01 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.66 1jh0 h PHE 180 Cb 0.05 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1jh0 h PHE 180 CO 0.13 0.87 0.27 0.66 -0.60 0.00 0.00 178.31 179.63 1jh0 h SER 181 N 0.77 0.32 1.52 2.17 4.64 -1.78 0.46 113.55 121.65 1jh0 h SER 181 Ca 0.16 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1jh0 h SER 181 Cb 0.44 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1jh0 h SER 181 CO 0.02 0.22 0.00 1.12 -0.87 0.00 0.00 176.83 177.31 1jh0 h HIS 182 N 0.37 0.00 0.02 4.77 2.07 -1.45 -1.48 115.15 119.44 1jh0 h HIS 182 Ca 0.17 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.50 1jh0 h HIS 182 Cb 0.20 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.20 1jh0 h HIS 182 CO -0.00 0.00 -0.76 -0.07 -3.07 0.00 0.00 177.93 174.03 1jh0 h LEU 183 N 0.00 0.64 -0.55 6.12 3.38 -0.97 -2.84 115.31 121.10 1jh0 h LEU 183 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1jh0 h LEU 183 Cb 0.76 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1jh0 h LEU 183 CO 0.00 1.33 0.35 0.44 0.09 0.00 0.00 178.44 180.65 1jh0 h ASP 184 N 0.02 0.65 -0.59 -0.43 3.32 -1.10 -2.20 116.42 116.08 1jh0 h ASP 184 Ca -0.10 -0.04 0.08 0.00 0.02 0.00 0.00 57.03 56.99 1jh0 h ASP 184 Cb 1.46 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.79 1jh0 h ASP 184 CO 0.15 0.50 0.25 -0.25 -1.72 0.00 0.00 179.24 178.16 1jh0 h TRP 185 N 0.74 0.44 0.29 4.55 7.01 -1.30 -1.75 115.95 125.93 1jh0 h TRP 185 Ca 0.20 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1jh0 h TRP 185 Cb -0.04 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 1jh0 h TRP 185 CO -0.03 0.15 -0.25 1.15 -2.79 0.00 0.00 178.44 176.67 1jh0 h THR 186 N 0.45 0.46 -0.74 2.65 2.02 -1.16 -0.07 112.91 116.53 1jh0 h THR 186 Ca 0.29 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.60 1jh0 h THR 186 Cb 0.31 0.46 -0.09 0.00 -1.74 0.00 0.00 68.15 67.10 1jh0 h THR 186 CO -0.26 0.00 0.31 -1.13 0.37 0.00 0.00 175.52 174.81 1jh0 h ASN 187 N -0.56 0.32 -0.17 4.18 -1.24 -1.10 -1.80 115.58 115.21 1jh0 h ASN 187 Ca -0.02 0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1jh0 h ASN 187 Cb 0.50 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 1jh0 h ASN 187 CO -0.03 0.14 0.07 0.78 -1.29 0.00 0.00 177.43 177.10 1jh0 h ASN 188 N 0.48 0.23 -0.96 1.15 -0.26 -0.93 -2.50 115.58 112.78 1jh0 h ASN 188 Ca 0.39 -0.16 0.28 0.00 -0.56 0.00 0.00 56.30 56.26 1jh0 h ASN 188 Cb 0.56 -0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.72 1jh0 h ASN 188 CO -0.37 0.33 0.69 0.15 -1.06 0.00 0.00 177.43 177.17 1jh0 h PHE 189 N 0.12 0.01 0.15 1.19 3.04 -0.14 -1.08 116.94 120.23 1jh0 h PHE 189 Ca 0.06 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1jh0 h PHE 189 Cb 0.16 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1jh0 h PHE 189 CO -0.02 0.00 -0.07 1.03 -2.02 0.00 0.00 178.31 177.23 1jh0 h SER 190 N 0.00 -0.17 -0.38 0.41 0.87 -1.15 -3.16 113.55 109.98 1jh0 h SER 190 Ca 0.46 -0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 1jh0 h SER 190 Cb 1.83 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 63.76 1jh0 h SER 190 CO -0.01 0.39 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.44 1jh0 h LEU 191 N -0.99 -0.58 -1.87 2.23 3.38 -1.02 0.60 115.31 117.05 1jh0 h LEU 191 Ca -0.02 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1jh0 h LEU 191 Cb 0.40 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1jh0 h LEU 191 CO 0.03 -0.20 0.19 0.58 0.09 0.00 0.00 178.44 179.13 1jh0 h VAL 192 N -0.10 0.95 -0.72 1.22 2.07 -1.39 -2.08 116.25 116.20 1jh0 h VAL 192 Ca 0.19 -0.05 -0.27 0.00 0.82 0.00 0.00 66.70 67.38 1jh0 h VAL 192 Cb 0.39 0.78 -0.16 0.00 -1.52 0.00 0.00 31.29 30.77 1jh0 h VAL 192 CO -0.44 0.03 0.31 1.41 0.02 0.00 0.00 177.57 178.89 1jh0 n HIS 193 N -4.49 2.33 -3.18 1.57 8.25 -0.65 -4.83 115.22 114.23 1jh0 n HIS 193 Ca 0.03 -1.40 -0.15 0.00 -0.26 0.00 0.00 57.72 55.94 1jh0 n HIS 193 Cb 0.23 -0.70 0.06 0.00 1.12 0.00 0.00 29.99 30.70 1jh0 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jh0 n GLY 194 N -0.56 -0.11 2.01 -1.41 0.00 -0.78 -1.24 105.19 103.10 1jh0 n GLY 194 Ca 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.39 1jh0 n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jh0 n ASN 195 N -1.97 -3.10 0.12 1.61 2.85 0.11 -3.68 115.26 111.19 1jh0 n ASN 195 Ca -0.07 0.91 0.08 0.00 -0.11 0.00 0.00 54.58 55.40 1jh0 n ASN 195 Cb 0.57 -3.51 0.44 0.00 1.24 0.00 0.00 39.78 38.52 1jh0 n ASN 195 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1jh0 n LEU 196 N 1.04 0.42 0.09 1.20 4.32 -1.26 -2.02 117.00 120.79 1jh0 n LEU 196 Ca -0.16 0.69 0.07 0.00 -0.02 0.00 0.00 56.01 56.60 1jh0 n LEU 196 Cb 0.24 -0.74 0.37 0.00 -1.62 0.00 0.00 43.42 41.67 1jh0 n LEU 196 CO 0.15 -0.82 0.73 0.49 -1.22 0.00 0.00 177.39 176.71 1jh0 n PHE 197 N -2.06 0.45 1.03 -1.77 3.72 -1.26 -0.47 117.46 117.09 1jh0 n PHE 197 Ca -0.01 0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.72 1jh0 n PHE 197 Cb 0.04 -0.84 0.11 0.00 -0.94 0.00 0.00 39.48 37.84 1jh0 n PHE 197 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1jh0 n TYR 198 N -1.94 0.00 -2.61 1.38 4.01 -0.85 -4.81 117.16 112.33 1jh0 n TYR 198 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1jh0 n TYR 198 Cb 0.07 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 1jh0 n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jh0 s ASN 199 N -2.91 6.91 0.52 7.72 3.84 0.38 -4.82 114.94 126.58 1jh0 s ASN 199 Ca 0.12 1.11 0.23 0.00 0.21 0.00 0.00 52.86 54.53 1jh0 s ASN 199 Cb 0.17 -2.54 1.40 0.00 -0.55 0.00 0.00 41.25 39.73 1jh0 s ASN 199 CO 0.73 -0.89 2.10 1.55 -2.79 0.00 0.00 177.10 177.80 1jh0 h PRO 200 N 8.20 0.00 0.05 0.43 0.13 -1.87 0.10 132.00 139.04 1jh0 h PRO 200 Ca -0.21 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.70 1jh0 h PRO 200 Cb 1.07 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.22 1jh0 h PRO 200 CO 1.03 0.10 -0.90 0.74 -0.23 0.00 0.00 178.00 178.74 1jh0 h PHE 201 N 0.00 0.80 -0.34 1.56 0.04 -1.91 -1.73 116.94 115.36 1jh0 h PHE 201 Ca -0.00 -0.47 0.01 0.00 2.80 0.00 0.00 57.97 60.31 1jh0 h PHE 201 Cb 0.22 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1jh0 h PHE 201 CO 0.00 1.32 0.20 1.25 -0.60 0.00 0.00 178.31 180.47 1jh0 h HIS 202 N 0.06 0.37 -0.84 -0.55 2.76 -1.77 0.60 115.15 115.78 1jh0 h HIS 202 Ca -0.13 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.20 1jh0 h HIS 202 Cb 1.60 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 30.38 1jh0 h HIS 202 CO 0.14 0.22 0.55 0.78 -1.30 0.00 0.00 177.93 178.32 1jh0 h GLY 203 N 0.40 1.03 1.11 5.26 0.00 -0.81 -1.87 103.07 108.20 1jh0 h GLY 203 Ca 0.13 -0.26 -0.25 0.00 0.00 0.00 0.00 47.33 46.95 1jh0 h GLY 203 CO -0.06 0.08 -1.00 -2.00 0.00 0.00 0.00 176.54 173.56 1jh0 h LEU 204 N 0.60 0.82 -0.08 3.11 5.85 -0.30 -2.96 115.31 122.36 1jh0 h LEU 204 Ca 0.42 -0.77 0.03 0.00 0.84 0.00 0.00 57.88 58.40 1jh0 h LEU 204 Cb 0.76 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1jh0 h LEU 204 CO -0.17 1.49 -0.47 -1.28 -0.34 0.00 0.00 178.44 177.67 1jh0 h SER 205 N 0.24 -1.45 -0.81 1.25 0.87 0.93 0.48 113.55 115.07 1jh0 h SER 205 Ca -0.14 0.18 0.17 0.00 -1.23 0.00 0.00 61.79 60.78 1jh0 h SER 205 Cb 1.68 0.57 -0.05 0.00 -0.44 0.00 0.00 62.40 64.16 1jh0 h SER 205 CO 0.20 -0.47 0.54 0.40 -0.53 0.00 0.00 176.83 176.97 1jh0 h ILE 206 N -0.57 0.74 -0.08 2.23 5.03 -1.44 -0.83 117.51 122.58 1jh0 h ILE 206 Ca 0.05 -0.13 0.01 0.00 -0.12 0.00 0.00 64.86 64.67 1jh0 h ILE 206 Cb 0.67 0.33 -0.01 0.00 -3.03 0.00 0.00 36.82 34.78 1jh0 h ILE 206 CO -0.38 0.07 0.04 0.00 -0.68 0.00 0.00 178.15 177.19 1jh0 h ALA 207 N 1.63 0.09 -0.30 1.87 0.00 -0.75 -1.21 119.26 120.59 1jh0 h ALA 207 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 1jh0 h ALA 207 Cb 1.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jh0 h ALA 207 CO -0.13 -0.43 -0.53 0.74 0.00 0.00 0.00 179.25 178.90 1jh0 h PHE 208 N 0.08 1.09 -0.55 0.00 0.04 -0.59 0.24 116.94 117.25 1jh0 h PHE 208 Ca 0.03 -0.38 0.05 0.00 2.80 0.00 0.00 57.97 60.48 1jh0 h PHE 208 Cb 0.01 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 37.90 1jh0 h PHE 208 CO -0.09 1.21 0.27 1.25 -0.60 0.00 0.00 178.31 180.35 1jh0 h LEU 209 N 0.67 0.38 -0.58 1.54 5.85 -1.04 1.75 115.31 123.89 1jh0 h LEU 209 Ca 0.02 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 1jh0 h LEU 209 Cb 1.13 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1jh0 h LEU 209 CO 0.12 0.26 -0.36 1.88 -0.34 0.00 0.00 178.44 179.99 1jh0 h TYR 210 N 0.52 0.87 -0.55 1.25 0.05 -1.16 -2.83 116.97 115.12 1jh0 h TYR 210 Ca 0.25 -0.24 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1jh0 h TYR 210 Cb 0.17 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1jh0 h TYR 210 CO -0.11 0.99 0.17 0.78 -1.05 0.00 0.00 178.16 178.94 1jh0 h GLY 211 N 0.95 0.93 1.01 3.88 0.00 0.24 -0.87 103.07 109.20 1jh0 h GLY 211 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1jh0 h GLY 211 CO 0.08 0.52 0.55 1.76 0.00 0.00 0.00 176.54 179.44 1jh0 h SER 212 N 0.77 0.98 0.48 0.19 0.02 0.25 0.22 113.55 116.47 1jh0 h SER 212 Ca 0.18 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1jh0 h SER 212 Cb 0.29 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1jh0 h SER 212 CO -0.01 0.73 -0.36 0.00 -1.14 0.00 0.00 176.83 176.06 1jh0 h ALA 213 N 1.30 1.26 -0.02 3.77 0.00 -1.22 -2.27 119.26 122.07 1jh0 h ALA 213 Ca 0.31 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jh0 h ALA 213 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jh0 h ALA 213 CO -0.06 0.45 -0.14 1.25 0.00 0.00 0.00 179.25 180.74 1jh0 h LEU 214 N 0.00 0.16 -0.23 0.00 5.85 0.29 -3.17 115.31 118.20 1jh0 h LEU 214 Ca -0.00 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1jh0 h LEU 214 Cb 0.70 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1jh0 h LEU 214 CO 0.05 0.82 0.15 0.25 -0.34 0.00 0.00 178.44 179.37 1jh0 h LEU 215 N -0.49 0.25 -0.33 2.25 5.85 -0.52 -1.02 115.31 121.30 1jh0 h LEU 215 Ca -0.01 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1jh0 h LEU 215 Cb 0.83 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1jh0 h LEU 215 CO 0.03 0.18 0.08 0.15 -0.34 0.00 0.00 178.44 178.54 1jh0 h PHE 216 N 0.30 0.55 -0.29 1.25 3.04 -1.57 0.75 116.94 120.97 1jh0 h PHE 216 Ca 0.09 -0.07 0.07 0.00 3.98 0.00 0.00 57.97 62.04 1jh0 h PHE 216 Cb -0.03 -0.15 -0.07 0.00 2.56 0.00 0.00 35.95 38.25 1jh0 h PHE 216 CO -0.07 0.57 -0.22 0.00 -2.02 0.00 0.00 178.31 176.57 1jh0 h ALA 217 N 0.92 -0.04 0.48 2.41 0.00 -1.48 1.22 119.26 122.76 1jh0 h ALA 217 Ca 0.10 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jh0 h ALA 217 Cb 0.29 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1jh0 h ALA 217 CO 0.00 -0.62 -0.35 0.52 0.00 0.00 0.00 179.25 178.80 1jh0 h MET 218 N -0.20 -0.76 -0.52 0.00 2.86 -0.73 -0.12 114.93 115.46 1jh0 h MET 218 Ca 0.15 0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 1jh0 h MET 218 Cb 0.43 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 32.20 1jh0 h MET 218 CO -0.40 -0.51 0.14 1.25 1.06 0.00 0.00 176.91 178.45 1jh0 h HIS 219 N -0.79 0.24 0.18 -0.22 -0.00 0.96 -0.01 115.15 115.51 1jh0 h HIS 219 Ca -0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1jh0 h HIS 219 Cb 0.65 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1jh0 h HIS 219 CO -0.10 0.04 -0.11 0.78 -0.00 0.00 0.00 177.93 178.54 1jh0 h GLY 220 N 0.30 -0.51 -0.66 5.26 0.00 0.15 -1.73 103.07 105.88 1jh0 h GLY 220 Ca 0.26 0.21 0.33 0.00 0.00 0.00 0.00 47.33 48.13 1jh0 h GLY 220 CO -0.30 -0.18 0.49 0.00 0.00 0.00 0.00 176.54 176.55 1jh0 h ALA 221 N -1.75 1.88 0.79 3.60 0.00 -0.87 -1.53 119.26 121.38 1jh0 h ALA 221 Ca -0.02 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1jh0 h ALA 221 Cb 0.21 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jh0 h ALA 221 CO 0.03 -0.66 -0.38 1.15 0.00 0.00 0.00 179.25 179.39 1jh0 h THR 222 N 0.21 0.12 -0.48 0.00 2.02 -0.74 -0.99 112.91 113.05 1jh0 h THR 222 Ca 0.73 -0.15 0.14 0.00 0.77 0.00 0.00 66.41 67.91 1jh0 h THR 222 Cb 1.73 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1jh0 h THR 222 CO -0.67 0.01 0.36 0.40 0.37 0.00 0.00 175.52 175.98 1jh0 h ILE 223 N -1.19 0.73 0.00 3.11 1.08 -0.38 0.23 117.51 121.09 1jh0 h ILE 223 Ca -0.11 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.20 1jh0 h ILE 223 Cb 0.83 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1jh0 h ILE 223 CO 0.18 0.00 -0.76 -0.07 -0.69 0.00 0.00 178.15 176.81 1jh0 h LEU 224 N 0.00 0.00 -0.79 1.44 3.38 -1.17 -2.43 115.31 115.75 1jh0 h LEU 224 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jh0 h LEU 224 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1jh0 h LEU 224 CO -0.00 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1jh0 h ALA 225 N 1.24 1.00 0.00 1.53 0.00 0.83 -3.05 119.26 120.81 1jh0 h ALA 225 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jh0 h ALA 225 Cb 1.53 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1jh0 h ALA 225 CO 0.10 0.00 -0.35 1.33 0.00 0.00 0.00 179.25 180.33 1jh0 n VAL 226 N -2.92 1.69 0.16 0.00 0.24 -0.91 -4.59 118.33 112.00 1jh0 n VAL 226 Ca 0.02 -2.37 0.01 0.00 -2.04 0.00 0.00 64.34 59.96 1jh0 n VAL 226 Cb 0.38 -0.06 0.27 0.00 -1.47 0.00 0.00 33.84 32.95 1jh0 n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1jh0 h SER 227 N 0.51 0.00 0.00 -1.34 4.64 -1.31 -2.39 113.55 113.66 1jh0 h SER 227 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1jh0 h SER 227 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1jh0 h SER 227 CO 0.01 0.49 0.00 -2.11 -0.87 0.00 0.00 176.83 174.35 1jh0 n ARG 228 N -3.82 0.06 -0.04 4.77 1.85 -1.26 0.37 116.66 118.59 1jh0 n ARG 228 Ca -0.01 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.85 1jh0 n ARG 228 Cb 0.53 -1.40 0.01 0.00 -1.05 0.00 0.00 32.46 30.54 1jh0 n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1jh0 n PHE 229 N -0.90 0.00 -2.51 2.89 3.72 -0.93 -5.00 117.46 114.72 1jh0 n PHE 229 Ca 0.01 -0.28 -0.02 0.00 -0.05 0.00 0.00 57.45 57.11 1jh0 n PHE 229 Cb 0.01 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 1jh0 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jh0 n GLY 230 N -0.31 0.79 0.25 1.37 0.00 0.16 -4.50 105.19 102.95 1jh0 n GLY 230 Ca 0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1jh0 n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jh0 h GLY 231 N -0.18 0.93 1.95 -0.02 0.00 -1.55 -3.11 103.07 101.09 1jh0 h GLY 231 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1jh0 h GLY 231 CO 0.04 0.83 0.02 -1.84 0.00 0.00 0.00 176.54 175.59 1jh0 n GLU 232 N -4.16 0.12 -1.27 4.80 0.00 -1.26 -2.71 120.64 116.15 1jh0 n GLU 232 Ca -0.02 0.61 -0.21 0.00 0.00 0.00 0.00 57.16 57.54 1jh0 n GLU 232 Cb 0.50 -1.90 -0.11 0.00 0.00 0.00 0.00 31.44 29.93 1jh0 n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1jh0 n ARG 233 N -2.13 2.42 -0.34 3.44 1.74 -1.18 -4.75 116.66 115.87 1jh0 n ARG 233 Ca -0.01 -1.74 -0.06 0.00 -0.77 0.00 0.00 57.85 55.26 1jh0 n ARG 233 Cb 0.05 -2.14 -0.03 0.00 -1.02 0.00 0.00 32.46 29.32 1jh0 n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1jh0 h GLU 234 N 3.22 -0.07 -0.76 5.56 5.08 -1.79 -2.48 114.58 123.34 1jh0 h GLU 234 Ca 0.34 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.87 1jh0 h GLU 234 Cb 1.06 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 1jh0 h GLU 234 CO 0.66 -0.05 0.26 -0.07 -1.00 0.00 0.00 179.01 178.81 1jh0 h LEU 235 N -0.07 0.17 -0.45 1.33 3.38 -1.92 0.28 115.31 118.04 1jh0 h LEU 235 Ca 0.24 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1jh0 h LEU 235 Cb 0.53 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1jh0 h LEU 235 CO -0.88 0.03 0.00 -0.08 0.09 0.00 0.00 178.44 177.60 1jh0 h GLU 236 N 0.36 0.00 0.00 1.13 4.57 -1.85 -1.93 114.58 116.86 1jh0 h GLU 236 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1jh0 h GLU 236 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1jh0 h GLU 236 CO -0.46 0.00 -0.16 1.04 -1.18 0.00 0.00 179.01 178.25 1jh0 n GLN 237 N -2.83 0.06 -0.08 1.92 1.13 0.79 -0.86 117.38 117.50 1jh0 n GLN 237 Ca 0.03 0.04 -0.13 0.00 -1.94 0.00 0.00 57.00 55.00 1jh0 n GLN 237 Cb 0.42 -1.56 -0.09 0.00 0.11 0.00 0.00 30.24 29.13 1jh0 n GLN 237 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1jh0 h ILE 238 N 0.00 0.97 0.00 5.09 1.08 -0.18 -3.17 117.51 121.30 1jh0 h ILE 238 Ca 0.00 -1.88 -0.11 0.00 -0.39 0.00 0.00 64.86 62.48 1jh0 h ILE 238 Cb 0.55 1.98 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 1jh0 h ILE 238 CO 0.00 0.33 -0.52 0.00 -0.69 0.00 0.00 178.15 177.26 1jh0 h ALA 239 N -0.46 0.89 -2.11 1.87 0.00 -1.49 -3.39 119.26 114.56 1jh0 h ALA 239 Ca -0.11 -0.48 -0.52 0.00 0.00 0.00 0.00 54.91 53.80 1jh0 h ALA 239 Cb 0.86 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.22 1jh0 h ALA 239 CO -0.07 0.65 -0.91 -3.47 0.00 0.00 0.00 179.25 175.45 1jh0 n ASP 240 N -3.57 -0.91 -4.56 0.00 2.03 -0.04 -5.10 116.55 104.40 1jh0 n ASP 240 Ca -0.00 -2.48 -0.60 0.00 0.52 0.00 0.00 54.79 52.23 1jh0 n ASP 240 Cb 0.61 -0.20 -0.08 0.00 -0.72 0.00 0.00 41.12 40.73 1jh0 n ASP 240 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1jh0 n ARG 241 N 2.75 0.17 -4.40 -0.67 0.63 -1.20 -4.45 116.66 109.49 1jh0 n ARG 241 Ca 0.27 0.06 -0.29 0.00 -0.92 0.00 0.00 57.85 56.98 1jh0 n ARG 241 Cb 0.50 -1.58 -0.06 0.00 0.45 0.00 0.00 32.46 31.76 1jh0 n ARG 241 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1jh0 s GLY 242 N 0.71 2.66 0.58 5.14 0.00 -1.26 -4.99 107.32 110.16 1jh0 s GLY 242 Ca 0.93 -1.20 0.28 0.00 0.00 0.00 0.00 44.72 44.73 1jh0 s GLY 242 CO 0.61 -2.06 2.04 0.00 0.00 0.00 0.00 173.10 173.68 1jh0 h THR 243 N 1.27 0.47 0.20 0.90 1.03 -1.93 -1.69 112.91 113.17 1jh0 h THR 243 Ca -0.42 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.97 1jh0 h THR 243 Cb 1.29 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 1jh0 h THR 243 CO 0.70 0.00 -0.10 0.00 -0.01 0.00 0.00 175.52 176.11 1jh0 h ALA 244 N 1.69 -0.27 0.00 0.00 0.00 -1.89 -1.07 119.26 117.71 1jh0 h ALA 244 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1jh0 h ALA 244 Cb 0.70 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jh0 h ALA 244 CO -0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 179.25 178.43 1jh0 h ALA 245 N 0.50 1.00 0.06 0.00 0.00 -1.68 -2.11 119.26 117.03 1jh0 h ALA 245 Ca -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jh0 h ALA 245 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jh0 h ALA 245 CO 0.05 0.22 -0.03 0.93 0.00 0.00 0.00 179.25 180.42 1jh0 h GLU 246 N 0.00 -0.07 -0.79 0.00 5.08 -1.34 -1.99 114.58 115.48 1jh0 h GLU 246 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1jh0 h GLU 246 Cb 0.74 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1jh0 h GLU 246 CO 0.02 0.54 0.39 0.00 -1.00 0.00 0.00 179.01 178.96 1jh0 h ARG 247 N -0.85 1.12 -0.03 2.33 3.08 -1.22 0.19 114.38 119.00 1jh0 h ARG 247 Ca -0.01 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1jh0 h ARG 247 Cb 0.64 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1jh0 h ARG 247 CO 0.01 0.85 -0.13 0.00 -1.07 0.00 0.00 179.97 179.63 1jh0 h ALA 248 N 1.32 -0.13 -0.72 0.04 0.00 -1.45 -0.03 119.26 118.29 1jh0 h ALA 248 Ca 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jh0 h ALA 248 Cb 0.09 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1jh0 h ALA 248 CO -0.04 -0.61 0.37 0.00 0.00 0.00 0.00 179.25 178.97 1jh0 h ALA 249 N 0.78 0.93 0.00 0.00 0.00 -0.64 -3.03 119.26 117.29 1jh0 h ALA 249 Ca 0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1jh0 h ALA 249 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jh0 h ALA 249 CO -0.15 0.48 -0.35 -0.07 0.00 0.00 0.00 179.25 179.16 1jh0 h LEU 250 N 1.01 0.00 -0.35 0.00 3.38 -0.25 -1.78 115.31 117.32 1jh0 h LEU 250 Ca 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1jh0 h LEU 250 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jh0 h LEU 250 CO -0.04 0.35 -0.07 0.15 0.09 0.00 0.00 178.44 178.93 1jh0 h PHE 251 N 0.00 0.75 0.00 1.13 3.04 -0.89 -2.03 116.94 118.94 1jh0 h PHE 251 Ca -0.00 -0.15 -0.10 0.00 3.98 0.00 0.00 57.97 61.69 1jh0 h PHE 251 Cb 0.83 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1jh0 h PHE 251 CO 0.00 0.81 -0.48 -1.49 -2.02 0.00 0.00 178.31 175.14 1jh0 h TRP 252 N 0.46 0.00 0.15 0.41 4.06 -1.52 -1.71 115.95 117.80 1jh0 h TRP 252 Ca 0.09 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.03 1jh0 h TRP 252 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1jh0 h TRP 252 CO 0.05 0.48 -0.07 -0.09 -3.56 0.00 0.00 178.44 175.24 1jh0 h ARG 253 N 0.00 -0.19 -0.70 0.49 2.43 -1.26 -1.58 114.38 113.57 1jh0 h ARG 253 Ca -0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1jh0 h ARG 253 Cb 1.19 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 1jh0 h ARG 253 CO 0.06 0.24 0.46 -1.49 -1.51 0.00 0.00 179.97 177.73 1jh0 h TRP 254 N -0.74 0.73 0.09 2.20 6.55 -1.40 0.25 115.95 123.63 1jh0 h TRP 254 Ca -0.02 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.83 1jh0 h TRP 254 Cb 0.52 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 1jh0 h TRP 254 CO 0.08 0.40 -0.04 1.15 -1.05 0.00 0.00 178.44 178.97 1jh0 h THR 255 N 0.73 0.00 -0.47 1.49 2.02 -1.29 -3.40 112.91 111.99 1jh0 h THR 255 Ca 0.30 -0.14 -0.17 0.00 0.77 0.00 0.00 66.41 67.16 1jh0 h THR 255 Cb 0.23 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.54 1jh0 h THR 255 CO -0.09 0.00 0.10 1.15 0.37 0.00 0.00 175.52 177.04 1jh0 n MET 256 N -2.71 2.57 0.00 6.66 0.00 -0.60 -4.98 117.12 118.06 1jh0 n MET 256 Ca -0.01 -3.05 0.00 0.00 0.00 0.00 0.00 57.70 54.64 1jh0 n MET 256 Cb 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 33.22 31.32 1jh0 n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jh0 n GLY 257 N -0.76 2.57 3.28 3.17 0.00 0.86 -4.95 105.19 109.36 1jh0 n GLY 257 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 1jh0 n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jh0 s PHE 258 N -0.50 0.87 0.17 1.61 -0.00 -1.25 -4.86 117.98 114.01 1jh0 s PHE 258 Ca 0.00 -1.16 -0.01 0.00 -0.00 0.00 0.00 56.93 55.76 1jh0 s PHE 258 Cb 0.00 -0.34 0.01 0.00 -0.00 0.00 0.00 43.02 42.68 1jh0 s PHE 258 CO 0.00 -0.70 0.24 0.27 -0.00 0.00 0.00 175.22 175.03 1jh0 n ASN 259 N -0.26 -0.68 -3.95 1.98 0.23 -1.26 -3.65 115.26 107.67 1jh0 n ASN 259 Ca -0.01 -1.90 -0.25 0.00 -0.53 0.00 0.00 54.58 51.88 1jh0 n ASN 259 Cb 0.64 1.26 -0.06 0.00 -2.08 0.00 0.00 39.78 39.54 1jh0 n ASN 259 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jh0 n ALA 260 N -1.89 0.44 -2.31 -2.53 0.00 -1.26 -5.07 120.51 107.89 1jh0 n ALA 260 Ca -0.07 -1.91 -0.22 0.00 0.00 0.00 0.00 53.44 51.24 1jh0 n ALA 260 Cb 0.28 1.16 -0.05 0.00 0.00 0.00 0.00 19.45 20.85 1jh0 n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jh0 s THR 261 N -2.76 2.53 0.40 0.00 -4.23 -1.26 -4.73 115.64 105.58 1jh0 s THR 261 Ca 0.10 -1.49 0.20 0.00 -1.18 0.00 0.00 61.69 59.31 1jh0 s THR 261 Cb 0.00 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 71.05 1jh0 s THR 261 CO 0.07 -0.00 1.97 -0.03 -0.54 0.00 0.00 174.62 176.08 1jh0 h MET 262 N 1.20 0.00 0.11 3.99 4.05 -1.90 -2.40 114.93 119.98 1jh0 h MET 262 Ca -0.42 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 58.64 1jh0 h MET 262 Cb 1.26 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 1jh0 h MET 262 CO 0.63 0.21 -1.96 -1.91 0.23 0.00 0.00 176.91 174.11 1jh0 n GLU 263 N -3.93 0.75 0.01 0.39 2.13 -1.26 -4.44 120.64 114.28 1jh0 n GLU 263 Ca -0.02 0.27 -0.11 0.00 0.66 0.00 0.00 57.16 57.96 1jh0 n GLU 263 Cb 0.30 -1.72 -0.05 0.00 0.27 0.00 0.00 31.44 30.23 1jh0 n GLU 263 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1jh0 h GLY 264 N 1.36 0.09 -0.96 8.31 0.00 -1.92 -2.77 103.07 107.17 1jh0 h GLY 264 Ca -0.41 -0.01 0.42 0.00 0.00 0.00 0.00 47.33 47.34 1jh0 h GLY 264 CO 0.09 0.00 1.00 1.19 0.00 0.00 0.00 176.54 178.83 1jh0 h ILE 265 N 0.05 0.25 0.00 2.60 6.09 -1.65 0.74 117.51 125.60 1jh0 h ILE 265 Ca 0.03 -0.02 -0.19 0.00 -1.37 0.00 0.00 64.86 63.32 1jh0 h ILE 265 Cb 0.03 0.18 -0.02 0.00 0.47 0.00 0.00 36.82 37.48 1jh0 h ILE 265 CO -0.04 0.01 -0.85 0.45 -3.07 0.00 0.00 178.15 174.65 1jh0 h HIS 266 N 0.06 0.17 -0.20 2.19 3.86 -1.72 -0.51 115.15 119.00 1jh0 h HIS 266 Ca 0.73 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.77 1jh0 h HIS 266 Cb 2.69 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 31.13 1jh0 h HIS 266 CO -0.00 0.90 -0.21 0.00 0.86 0.00 0.00 177.93 179.48 1jh0 h ARG 267 N 0.06 0.36 0.33 2.45 3.08 0.49 0.34 114.38 121.48 1jh0 h ARG 267 Ca -0.03 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1jh0 h ARG 267 Cb 1.47 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1jh0 h ARG 267 CO 0.12 0.56 -0.16 -1.49 -1.07 0.00 0.00 179.97 177.94 1jh0 h TRP 268 N 0.33 -0.41 -0.55 3.04 4.06 -1.13 -2.92 115.95 118.36 1jh0 h TRP 268 Ca 0.05 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.11 1jh0 h TRP 268 Cb 0.56 0.13 -0.10 0.00 -1.00 0.00 0.00 29.16 28.76 1jh0 h TRP 268 CO 0.01 -0.06 -0.07 0.00 -3.56 0.00 0.00 178.44 174.76 1jh0 h ALA 269 N -0.40 0.45 -0.97 1.49 0.00 -0.72 0.36 119.26 119.46 1jh0 h ALA 269 Ca -0.04 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jh0 h ALA 269 Cb 0.52 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1jh0 h ALA 269 CO 0.07 -0.42 0.63 0.97 0.00 0.00 0.00 179.25 180.50 1jh0 h ILE 270 N 0.05 1.25 0.02 0.00 6.09 -0.36 -3.15 117.51 121.42 1jh0 h ILE 270 Ca 0.28 -0.49 -0.00 0.00 -1.37 0.00 0.00 64.86 63.28 1jh0 h ILE 270 Cb 0.43 -0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.56 1jh0 h ILE 270 CO -0.52 0.25 -0.01 -0.50 -3.07 0.00 0.00 178.15 174.30 1jh0 h TRP 271 N 1.32 -0.03 -0.77 2.19 4.06 -1.14 -2.80 115.95 118.79 1jh0 h TRP 271 Ca 0.35 -0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.42 1jh0 h TRP 271 Cb -0.13 0.01 -0.12 0.00 -1.00 0.00 0.00 29.16 27.92 1jh0 h TRP 271 CO 0.00 0.63 -0.31 -0.12 -3.56 0.00 0.00 178.44 175.09 1jh0 n MET 272 N -4.71 -0.19 -0.01 0.49 1.56 0.04 -1.10 117.12 113.20 1jh0 n MET 272 Ca -0.07 1.18 -0.13 0.00 -0.27 0.00 0.00 57.70 58.41 1jh0 n MET 272 Cb 0.33 -1.75 -0.10 0.00 2.15 0.00 0.00 33.22 33.84 1jh0 n MET 272 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1jh0 h ALA 273 N 1.02 -0.03 -1.00 -5.12 0.00 -1.68 -3.28 119.26 109.17 1jh0 h ALA 273 Ca 0.26 -0.26 0.24 0.00 0.00 0.00 0.00 54.91 55.14 1jh0 h ALA 273 Cb 0.45 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 1jh0 h ALA 273 CO -0.76 -0.25 0.59 0.28 0.00 0.00 0.00 179.25 179.11 1jh0 h VAL 274 N -0.57 0.56 0.00 0.00 2.07 -0.83 -0.29 116.25 117.19 1jh0 h VAL 274 Ca -0.00 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1jh0 h VAL 274 Cb 0.54 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1jh0 h VAL 274 CO 0.01 0.11 -0.11 -0.07 0.02 0.00 0.00 177.57 177.53 1jh0 h LEU 275 N 0.61 0.00 0.15 2.57 3.38 -1.18 -2.54 115.31 118.30 1jh0 h LEU 275 Ca 0.64 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.62 1jh0 h LEU 275 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1jh0 h LEU 275 CO -0.46 0.11 -0.35 0.58 0.09 0.00 0.00 178.44 178.40 1jh0 h VAL 276 N 0.00 0.27 -0.00 1.22 2.07 -1.14 -0.23 116.25 118.44 1jh0 h VAL 276 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jh0 h VAL 276 Cb 0.36 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1jh0 h VAL 276 CO 0.01 0.00 -0.14 0.35 0.02 0.00 0.00 177.57 177.81 1jh0 n THR 277 N -5.44 0.00 0.04 2.57 -2.24 -1.18 -1.93 114.28 106.10 1jh0 n THR 277 Ca -0.07 -0.03 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 1jh0 n THR 277 Cb 0.35 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 1jh0 n THR 277 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jh0 h LEU 278 N 0.31 -0.17 -0.60 3.22 5.85 -0.92 -1.90 115.31 121.10 1jh0 h LEU 278 Ca 0.00 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1jh0 h LEU 278 Cb 0.41 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1jh0 h LEU 278 CO 0.00 0.35 0.10 0.71 -0.34 0.00 0.00 178.44 179.27 1jh0 h THR 279 N -1.03 1.26 -0.47 1.05 1.35 -1.17 -2.39 112.91 111.51 1jh0 h THR 279 Ca -0.02 -0.98 0.05 0.00 -0.55 0.00 0.00 66.41 64.91 1jh0 h THR 279 Cb 0.27 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.40 1jh0 h THR 279 CO 0.03 0.36 0.31 1.23 -0.25 0.00 0.00 175.52 177.21 1jh0 h GLY 280 N 0.89 0.54 0.75 5.82 0.00 -1.49 -0.94 103.07 108.63 1jh0 h GLY 280 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1jh0 h GLY 280 CO 0.01 0.15 0.00 -1.33 0.00 0.00 0.00 176.54 175.37 1jh0 h GLY 281 N 0.45 0.09 0.55 4.60 0.00 -0.81 -2.68 103.07 105.27 1jh0 h GLY 281 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1jh0 h GLY 281 CO -0.05 0.06 -0.48 -2.22 0.00 0.00 0.00 176.54 173.84 1jh0 h ILE 282 N -0.18 0.05 -0.98 2.60 1.08 -1.27 -1.29 117.51 117.51 1jh0 h ILE 282 Ca 0.01 0.00 0.34 0.00 -0.39 0.00 0.00 64.86 64.82 1jh0 h ILE 282 Cb 0.30 0.05 -0.16 0.00 -3.07 0.00 0.00 36.82 33.93 1jh0 h ILE 282 CO 0.00 0.00 0.45 1.23 -0.69 0.00 0.00 178.15 179.14 1jh0 h GLY 283 N -0.98 1.95 1.95 5.37 0.00 -1.18 0.37 103.07 110.55 1jh0 h GLY 283 Ca -0.06 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1jh0 h GLY 283 CO -0.05 -0.58 -0.82 -2.22 0.00 0.00 0.00 176.54 172.86 1jh0 h ILE 284 N 0.16 1.31 -0.21 2.60 1.08 -1.15 -3.25 117.51 118.06 1jh0 h ILE 284 Ca 0.73 -2.87 -0.16 0.00 -0.39 0.00 0.00 64.86 62.17 1jh0 h ILE 284 Cb 1.74 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 38.13 1jh0 h ILE 284 CO -0.70 0.75 -0.54 0.25 -0.69 0.00 0.00 178.15 177.22 1jh0 h LEU 285 N 0.00 0.68 -0.25 1.44 5.85 0.85 -2.90 115.31 120.98 1jh0 h LEU 285 Ca -0.02 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1jh0 h LEU 285 Cb 1.61 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1jh0 h LEU 285 CO 0.10 1.08 0.00 0.18 -0.34 0.00 0.00 178.44 179.46 1jh0 n LEU 286 N -3.97 0.38 -4.46 2.25 4.77 -0.38 -4.46 117.00 111.13 1jh0 n LEU 286 Ca -0.03 -0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1jh0 n LEU 286 Cb 0.60 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1jh0 n LEU 286 CO 0.47 0.08 -0.08 -0.44 -1.33 0.00 0.00 177.39 176.10 1jh0 s SER 287 N -1.35 6.07 0.00 -1.43 0.01 -1.10 -1.94 113.70 113.96 1jh0 s SER 287 Ca 0.20 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1jh0 s SER 287 Cb 0.09 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1jh0 s SER 287 CO 0.15 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1jh0 n GLY 288 N 5.14 2.88 0.12 3.44 0.00 0.04 -4.83 105.19 111.98 1jh0 n GLY 288 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1jh0 n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jh0 n THR 289 N -2.00 1.47 0.00 2.61 -2.24 -1.26 -4.82 114.28 108.05 1jh0 n THR 289 Ca 0.00 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1jh0 n THR 289 Cb 0.00 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 1jh0 n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1jh0 n VAL 290 N -3.13 0.00 -3.83 2.28 0.31 -1.24 -5.00 118.33 107.71 1jh0 n VAL 290 Ca -0.42 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.55 1jh0 n VAL 290 Cb 1.04 -0.73 -0.13 0.00 -0.91 0.00 0.00 33.84 33.11 1jh0 n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jh0 s VAL 291 N -1.88 3.70 -0.09 2.52 1.01 -0.82 -4.98 120.40 119.86 1jh0 s VAL 291 Ca 0.00 -0.56 0.15 0.00 0.00 0.00 0.00 61.98 61.56 1jh0 s VAL 291 Cb 0.00 -2.79 -0.12 0.00 0.00 0.00 0.00 36.38 33.47 1jh0 s VAL 291 CO 0.00 0.26 0.98 0.44 0.00 0.00 0.00 175.10 176.79 1jh0 h ASP 292 N 8.17 0.00 -2.79 3.32 3.32 -1.89 0.15 116.42 126.69 1jh0 h ASP 292 Ca -0.36 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.53 1jh0 h ASP 292 Cb 1.15 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.40 1jh0 h ASP 292 CO 0.59 0.68 -0.45 0.21 -1.72 0.00 0.00 179.24 178.56 1jh0 s ASN 293 N -6.08 0.01 0.08 6.45 3.84 -1.26 -4.41 114.94 113.56 1jh0 s ASN 293 Ca -0.01 0.77 0.26 0.00 0.21 0.00 0.00 52.86 54.08 1jh0 s ASN 293 Cb 0.08 0.94 1.01 0.00 -0.55 0.00 0.00 41.25 42.73 1jh0 s ASN 293 CO 0.80 -0.23 1.80 0.79 -2.79 0.00 0.00 177.10 177.47 1jh0 n TRP 294 N 5.21 0.34 -0.06 0.43 7.02 -0.37 -1.99 117.44 128.01 1jh0 n TRP 294 Ca -0.10 0.11 -0.15 0.00 -1.02 0.00 0.00 57.50 56.34 1jh0 n TRP 294 Cb 0.50 -0.67 -0.13 0.00 -2.42 0.00 0.00 31.31 28.59 1jh0 n TRP 294 CO 0.00 0.00 0.00 -0.92 -2.02 0.00 0.00 177.69 174.75 1jh0 h TYR 295 N 0.00 0.05 0.50 -5.99 3.20 -1.80 -2.20 116.97 110.73 1jh0 h TYR 295 Ca 0.00 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1jh0 h TYR 295 Cb 0.52 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1jh0 h TYR 295 CO 0.00 1.04 -0.36 0.28 -1.64 0.00 0.00 178.16 177.47 1jh0 h VAL 296 N -0.94 0.26 -0.57 1.81 2.07 -1.91 -2.06 116.25 114.92 1jh0 h VAL 296 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1jh0 h VAL 296 Cb 1.06 0.26 -0.11 0.00 -1.52 0.00 0.00 31.29 30.98 1jh0 h VAL 296 CO 0.01 0.00 -0.19 -0.25 0.02 0.00 0.00 177.57 177.17 1jh0 h TRP 297 N -0.84 -0.44 0.00 1.57 7.01 -1.54 0.63 115.95 122.35 1jh0 h TRP 297 Ca -0.05 0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1jh0 h TRP 297 Cb 0.71 0.28 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1jh0 h TRP 297 CO -0.14 -0.28 0.36 0.78 -2.79 0.00 0.00 178.44 176.37 1jh0 h GLY 298 N -0.05 0.00 1.05 2.65 0.00 -0.72 1.55 103.07 107.56 1jh0 h GLY 298 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.30 1jh0 h GLY 298 CO -0.61 0.00 -1.66 1.46 0.00 0.00 0.00 176.54 175.73 1jh0 h GLN 299 N 0.00 0.09 0.00 4.80 1.08 0.85 -3.42 115.11 118.51 1jh0 h GLN 299 Ca 0.00 -0.15 -0.18 0.00 -1.45 0.00 0.00 58.65 56.87 1jh0 h GLN 299 Cb 0.73 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 1jh0 h GLN 299 CO 0.00 0.78 -1.67 0.09 -0.95 0.00 0.00 178.83 177.08 1jh0 n ASN 300 N -3.22 3.07 0.00 1.46 3.02 0.55 -5.13 115.26 115.01 1jh0 n ASN 300 Ca -0.18 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1jh0 n ASN 300 Cb 1.04 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1jh0 n ASN 300 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05