#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhs n ASN 32 N 0.00 2.18 -4.77 7.83 5.15 -1.26 -5.10 115.26 119.30 1jhs n ASN 32 Ca 0.00 -3.01 -0.37 0.00 -0.60 0.00 0.00 54.58 50.61 1jhs n ASN 32 Cb 0.00 -0.53 0.01 0.00 -0.53 0.00 0.00 39.78 38.73 1jhs n ASN 32 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1jhs s ASN 33 N -3.13 5.76 0.13 1.20 0.02 -1.26 -4.42 114.94 113.23 1jhs s ASN 33 Ca 0.34 2.36 0.10 0.00 -1.02 0.00 0.00 52.86 54.64 1jhs s ASN 33 Cb 0.42 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 39.05 1jhs s ASN 33 CO -0.03 -1.21 -0.23 -1.59 0.02 0.00 0.00 177.10 174.07 1jhs s LYS 34 N -2.98 1.59 0.34 -0.60 -2.85 0.12 -4.86 119.74 110.50 1jhs s LYS 34 Ca 0.69 -1.29 -0.29 0.00 -1.00 0.00 0.00 55.97 54.09 1jhs s LYS 34 Cb -0.30 -1.99 -0.10 0.00 -2.06 0.00 0.00 37.83 33.38 1jhs s LYS 34 CO 0.35 0.46 1.35 -2.00 0.10 0.00 0.00 175.35 175.61 1jhs s GLU 35 N -2.16 4.29 0.07 1.78 2.12 -1.26 -1.51 118.70 122.03 1jhs s GLU 35 Ca 0.16 2.31 0.02 0.00 0.36 0.00 0.00 54.97 57.83 1jhs s GLU 35 Cb -0.10 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 1jhs s GLU 35 CO 0.08 -0.28 -0.08 0.14 -0.54 0.00 0.00 175.26 174.58 1jhs s VAL 36 N -1.14 0.70 -0.18 3.70 -7.23 -0.06 -4.89 120.40 111.30 1jhs s VAL 36 Ca 0.50 -1.51 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 1jhs s VAL 36 Cb -0.42 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1jhs s VAL 36 CO 0.56 -0.58 0.09 -1.61 -0.31 0.00 0.00 175.10 173.24 1jhs s GLU 37 N -2.63 4.02 0.24 4.82 2.02 -1.26 -2.56 118.70 123.35 1jhs s GLU 37 Ca 0.01 -0.29 0.10 0.00 0.02 0.00 0.00 54.97 54.81 1jhs s GLU 37 Cb -0.03 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1jhs s GLU 37 CO -0.01 0.32 -0.06 -0.51 0.02 0.00 0.00 175.26 175.01 1jhs s LEU 38 N 0.28 3.05 -1.26 1.80 1.43 0.13 -4.68 118.68 119.43 1jhs s LEU 38 Ca 0.06 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 1jhs s LEU 38 Cb -0.12 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1jhs s LEU 38 CO -0.01 0.04 0.62 -1.22 0.23 0.00 0.00 176.35 176.01 1jhs n TYR 39 N -0.56 -1.74 -0.87 0.29 4.02 -1.26 -0.87 117.16 116.17 1jhs n TYR 39 Ca -0.08 0.53 0.00 0.00 -0.01 0.00 0.00 57.90 58.34 1jhs n TYR 39 Cb 0.58 -3.48 0.00 0.00 -0.02 0.00 0.00 39.34 36.42 1jhs n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jhs n GLY 40 N -1.86 0.34 0.00 2.72 0.00 -1.26 -2.48 105.19 102.65 1jhs n GLY 40 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1jhs n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jhs n GLY 41 N -1.40 0.91 0.22 -0.02 0.00 -0.05 -4.98 105.19 99.88 1jhs n GLY 41 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1jhs n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhs h ALA 42 N 0.00 0.96 -3.20 4.61 0.00 -1.10 -3.42 119.26 117.11 1jhs h ALA 42 Ca 0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 1jhs h ALA 42 Cb 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.55 1jhs h ALA 42 CO 0.00 0.17 -0.73 0.42 0.00 0.00 0.00 179.25 179.12 1jhs s ILE 43 N -3.42 0.38 0.09 0.00 1.01 -1.07 0.55 121.20 118.74 1jhs s ILE 43 Ca 0.03 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1jhs s ILE 43 Cb 0.08 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 1jhs s ILE 43 CO 0.64 -0.36 -0.13 0.42 0.00 0.00 0.00 174.94 175.51 1jhs s THR 44 N -1.24 1.11 0.00 2.92 -4.23 -0.37 0.22 115.64 114.05 1jhs s THR 44 Ca -0.10 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1jhs s THR 44 Cb -0.09 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1jhs s THR 44 CO -0.00 -0.34 0.00 1.07 -0.54 0.00 0.00 174.62 174.81 1jhs n THR 45 N 0.96 0.00 -4.22 3.99 5.66 -1.06 -1.04 114.28 118.58 1jhs n THR 45 Ca -0.19 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.65 1jhs n THR 45 Cb 0.56 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.23 1jhs n THR 45 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1jhs s VAL 46 N -2.97 1.16 0.05 1.08 -7.23 -1.26 -0.88 120.40 110.34 1jhs s VAL 46 Ca 0.00 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1jhs s VAL 46 Cb 0.00 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 1jhs s VAL 46 CO 0.00 -0.52 -0.02 0.68 -0.31 0.00 0.00 175.10 174.93 1jhs s VAL 47 N -2.44 0.20 0.70 1.32 -7.23 -0.57 -4.73 120.40 107.64 1jhs s VAL 47 Ca 0.09 -1.62 -0.13 0.00 -1.81 0.00 0.00 61.98 58.51 1jhs s VAL 47 Cb -0.03 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 35.64 1jhs s VAL 47 CO 0.02 -0.89 1.10 -2.84 -0.31 0.00 0.00 175.10 172.17 1jhs s PRO 48 N -3.47 2.63 0.59 4.82 0.02 -1.26 -0.70 135.00 137.63 1jhs s PRO 48 Ca 0.03 1.31 -0.19 0.00 0.02 0.00 0.00 61.00 62.17 1jhs s PRO 48 Cb 0.05 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 1jhs s PRO 48 CO -0.08 -1.37 1.19 -1.25 -0.33 0.00 0.00 177.00 175.16 1jhs s PRO 49 N -4.38 3.01 0.00 5.54 0.04 -1.26 -2.77 135.00 135.18 1jhs s PRO 49 Ca 0.65 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1jhs s PRO 49 Cb -0.19 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1jhs s PRO 49 CO 0.46 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1jhs n GLY 50 N 0.43 0.95 3.72 0.56 0.00 -1.26 -4.94 105.19 104.64 1jhs n GLY 50 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1jhs n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jhs s PHE 51 N -3.16 3.42 0.03 1.61 0.40 -1.11 -0.66 117.98 118.50 1jhs s PHE 51 Ca 0.00 0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 1jhs s PHE 51 Cb 0.00 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1jhs s PHE 51 CO 0.00 0.22 0.12 -1.50 0.70 0.00 0.00 175.22 174.76 1jhs s ILE 52 N 0.56 4.90 -0.41 0.64 2.07 -0.12 -4.86 121.20 123.97 1jhs s ILE 52 Ca 0.12 -0.47 -0.29 0.00 -1.41 0.00 0.00 60.65 58.60 1jhs s ILE 52 Cb -0.12 -3.31 0.02 0.00 0.13 0.00 0.00 42.46 39.17 1jhs s ILE 52 CO 0.02 0.24 1.22 -0.62 -1.91 0.00 0.00 174.94 173.89 1jhs s ASP 53 N -2.10 6.61 0.57 4.50 -1.08 -1.26 -1.11 116.67 122.79 1jhs s ASP 53 Ca 0.28 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 53.32 1jhs s ASP 53 Cb -0.12 -2.55 1.67 0.00 -1.46 0.00 0.00 42.92 40.47 1jhs s ASP 53 CO 0.20 -1.22 2.21 0.00 0.52 0.00 0.00 175.17 176.88 1jhs h ALA 54 N 9.43 1.58 0.00 3.66 0.00 -1.13 -1.60 119.26 131.20 1jhs h ALA 54 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jhs h ALA 54 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jhs h ALA 54 CO 1.09 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 179.24 1jhs n SER 55 N -3.95 0.00 -0.04 0.00 3.41 -1.25 -1.00 113.62 110.80 1jhs n SER 55 Ca -0.03 0.05 0.14 0.00 -0.26 0.00 0.00 58.87 58.78 1jhs n SER 55 Cb 0.10 -0.28 0.63 0.00 -0.26 0.00 0.00 64.21 64.41 1jhs n SER 55 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jhs n THR 56 N -1.28 0.00 0.00 6.66 -2.24 -0.60 -3.99 114.28 112.83 1jhs n THR 56 Ca 0.07 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1jhs n THR 56 Cb 0.12 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1jhs n THR 56 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jhs n LEU 57 N -1.24 0.00 -3.72 3.22 4.77 -0.50 -5.10 117.00 114.44 1jhs n LEU 57 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1jhs n LEU 57 Cb 0.28 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1jhs n LEU 57 CO 0.25 0.00 0.09 -0.13 -1.33 0.00 0.00 177.39 176.27 1jhs s ARG 58 N -1.23 0.79 0.26 3.23 0.52 -0.17 -5.14 118.95 117.21 1jhs s ARG 58 Ca 0.00 -0.26 -0.29 0.00 -0.52 0.00 0.00 55.73 54.66 1jhs s ARG 58 Cb 0.00 0.35 -0.09 0.00 0.52 0.00 0.00 34.95 35.73 1jhs s ARG 58 CO 0.00 -0.24 1.19 -1.21 0.02 0.00 0.00 175.30 175.05 1jhs s GLU 59 N -1.83 4.52 0.25 3.54 2.02 -1.26 -3.75 118.70 122.19 1jhs s GLU 59 Ca -0.10 1.93 0.11 0.00 0.02 0.00 0.00 54.97 56.93 1jhs s GLU 59 Cb -0.03 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 1jhs s GLU 59 CO 0.02 0.01 -0.18 0.14 0.02 0.00 0.00 175.26 175.26 1jhs s VAL 60 N -0.76 2.23 0.41 2.63 -7.23 -1.26 -5.00 120.40 111.42 1jhs s VAL 60 Ca 0.49 -2.33 -0.24 0.00 -1.81 0.00 0.00 61.98 58.09 1jhs s VAL 60 Cb -0.34 -2.20 -0.11 0.00 0.56 0.00 0.00 36.38 34.28 1jhs s VAL 60 CO 0.42 -0.45 0.84 -2.65 -0.31 0.00 0.00 175.10 172.95 1jhs n PRO 61 N -0.50 1.03 -0.19 4.82 -0.02 -1.26 -4.86 135.00 134.02 1jhs n PRO 61 Ca -0.06 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 1jhs n PRO 61 Cb 0.60 -1.82 0.47 0.00 -0.02 0.00 0.00 33.50 32.72 1jhs n PRO 61 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1jhs h ASP 62 N 1.27 0.46 -0.02 2.55 3.32 -2.02 -1.15 116.42 120.83 1jhs h ASP 62 Ca -0.42 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1jhs h ASP 62 Cb 1.36 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1jhs h ASP 62 CO 0.55 0.24 0.00 0.35 -1.72 0.00 0.00 179.24 178.66 1jhs n THR 63 N -4.50 0.01 -4.32 0.35 -2.24 -1.26 -4.93 114.28 97.39 1jhs n THR 63 Ca 0.15 -0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 1jhs n THR 63 Cb 0.50 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 1jhs n THR 63 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1jhs s GLN 64 N -1.99 1.93 -0.08 -0.78 -0.21 -0.43 -1.18 119.66 116.91 1jhs s GLN 64 Ca 0.41 -1.33 0.04 0.00 0.02 0.00 0.00 55.36 54.50 1jhs s GLN 64 Cb 0.21 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 32.13 1jhs s GLN 64 CO 0.34 0.43 -0.20 0.00 -2.12 0.00 0.00 175.29 173.73 1jhs s ALA 65 N -1.68 1.88 -0.08 6.09 0.00 -0.34 -4.76 121.76 122.86 1jhs s ALA 65 Ca 0.24 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1jhs s ALA 65 Cb -0.09 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1jhs s ALA 65 CO 0.14 0.25 -0.10 0.08 0.00 0.00 0.00 175.76 176.12 1jhs s VAL 66 N 0.37 1.09 -0.02 0.00 1.01 -1.26 -0.72 120.40 120.88 1jhs s VAL 66 Ca -0.16 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1jhs s VAL 66 Cb -0.17 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1jhs s VAL 66 CO 0.07 0.36 -0.21 -0.31 0.00 0.00 0.00 175.10 175.01 1jhs s TYR 67 N 1.05 1.87 0.05 5.22 1.51 0.14 -0.46 117.35 126.74 1jhs s TYR 67 Ca -0.07 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.66 1jhs s TYR 67 Cb -0.15 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1jhs s TYR 67 CO -0.01 -0.06 -0.19 0.14 -1.11 0.00 0.00 175.55 174.32 1jhs s VAL 68 N -0.40 1.49 -0.22 0.71 -7.23 -0.27 -0.44 120.40 114.05 1jhs s VAL 68 Ca 0.06 -1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 1jhs s VAL 68 Cb -0.09 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 1jhs s VAL 68 CO -0.00 0.09 1.61 0.21 -0.31 0.00 0.00 175.10 176.70 1jhs s ASN 69 N -1.29 6.39 -0.18 4.85 3.84 -0.66 -0.95 114.94 126.94 1jhs s ASN 69 Ca 0.05 1.64 0.16 0.00 0.21 0.00 0.00 52.86 54.92 1jhs s ASN 69 Cb -0.09 -2.53 0.52 0.00 -0.55 0.00 0.00 41.25 38.60 1jhs s ASN 69 CO 0.02 -1.24 1.42 -1.54 -2.79 0.00 0.00 177.10 172.96 1jhs n SER 70 N 8.39 3.76 -4.76 -4.21 3.41 0.17 -4.68 113.62 115.70 1jhs n SER 70 Ca 0.19 -3.06 -0.37 0.00 -0.26 0.00 0.00 58.87 55.37 1jhs n SER 70 Cb 0.45 -0.55 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1jhs n SER 70 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jhs s ARG 71 N -2.86 3.39 0.45 4.33 0.52 -1.20 -4.99 118.95 118.60 1jhs s ARG 71 Ca 0.42 1.83 -0.14 0.00 -0.52 0.00 0.00 55.73 57.32 1jhs s ARG 71 Cb 0.34 -2.19 -0.07 0.00 0.52 0.00 0.00 34.95 33.55 1jhs s ARG 71 CO 0.08 -0.87 0.87 1.03 0.02 0.00 0.00 175.30 176.43 1jhs s ARG 72 N -3.00 3.88 0.41 3.54 0.52 -1.26 -4.89 118.95 118.15 1jhs s ARG 72 Ca 0.70 0.72 0.09 0.00 -0.52 0.00 0.00 55.73 56.72 1jhs s ARG 72 Cb -0.30 -2.27 0.90 0.00 0.52 0.00 0.00 34.95 33.80 1jhs s ARG 72 CO 0.35 -0.14 2.02 -0.44 0.02 0.00 0.00 175.30 177.11 1jhs h ASP 73 N 1.14 0.46 -0.21 0.23 3.32 -1.98 -2.90 116.42 116.48 1jhs h ASP 73 Ca -0.47 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1jhs h ASP 73 Cb 1.19 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1jhs h ASP 73 CO 0.63 0.31 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.11 1jhs h GLU 74 N 0.53 0.39 -6.13 3.56 3.07 -2.04 -3.45 114.58 110.52 1jhs h GLU 74 Ca 0.21 -0.13 -0.71 0.00 -0.50 0.00 0.00 59.36 58.23 1jhs h GLU 74 Cb 0.18 -0.03 0.07 0.00 -0.84 0.00 0.00 28.75 28.13 1jhs h GLU 74 CO -0.06 0.60 0.04 0.39 -1.40 0.00 0.00 179.01 178.58 1jhs n GLU 75 N -4.65 0.47 -3.96 2.33 1.02 -1.10 -4.96 120.64 109.79 1jhs n GLU 75 Ca -0.04 0.17 -0.34 0.00 -0.02 0.00 0.00 57.16 56.92 1jhs n GLU 75 Cb 0.25 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 1jhs n GLU 75 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1jhs s GLU 76 N -0.28 2.75 0.06 3.49 2.02 -1.26 -4.92 118.70 120.55 1jhs s GLU 76 Ca 0.79 -1.04 0.07 0.00 0.02 0.00 0.00 54.97 54.82 1jhs s GLU 76 Cb -1.04 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 30.16 1jhs s GLU 76 CO 0.54 -0.44 -0.18 -0.06 0.02 0.00 0.00 175.26 175.15 1jhs s PHE 77 N 1.30 2.55 -1.40 1.61 0.40 -1.26 -5.00 117.98 116.19 1jhs s PHE 77 Ca -0.01 -0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.12 1jhs s PHE 77 Cb -0.17 -1.44 0.21 0.00 0.51 0.00 0.00 43.02 42.13 1jhs s PHE 77 CO -0.04 0.28 1.01 0.39 0.70 0.00 0.00 175.22 177.56 1jhs n GLU 78 N 1.39 1.80 -0.29 0.44 -0.58 -1.26 -4.31 120.64 117.84 1jhs n GLU 78 Ca -0.16 -0.83 -0.04 0.00 -0.42 0.00 0.00 57.16 55.71 1jhs n GLU 78 Cb 0.52 -1.44 0.10 0.00 -0.57 0.00 0.00 31.44 30.06 1jhs n GLU 78 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1jhs h ASP 79 N 1.19 1.07 0.00 1.62 3.45 -1.99 -3.47 116.42 118.28 1jhs h ASP 79 Ca 0.00 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1jhs h ASP 79 Cb 0.60 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1jhs h ASP 79 CO 0.07 0.90 0.00 0.61 -1.57 0.00 0.00 179.24 179.25 1jhs n GLY 80 N -1.02 0.67 3.91 2.75 0.00 -1.26 -4.88 105.19 105.36 1jhs n GLY 80 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1jhs n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhs s LEU 81 N 0.00 3.62 0.00 0.99 1.43 -1.26 -4.47 118.68 118.99 1jhs s LEU 81 Ca 0.00 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1jhs s LEU 81 Cb 0.00 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1jhs s LEU 81 CO 0.00 -0.60 0.00 0.00 0.23 0.00 0.00 176.35 175.98 1jhs n ALA 82 N -2.26 0.00 -0.99 4.21 0.00 -1.26 -4.99 120.51 115.22 1jhs n ALA 82 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1jhs n ALA 82 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 1jhs n ALA 82 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jhs n THR 83 N 0.00 0.28 -0.38 0.00 -2.24 -1.26 -4.88 114.28 105.80 1jhs n THR 83 Ca 0.00 -0.30 0.02 0.00 -2.27 0.00 0.00 64.05 61.50 1jhs n THR 83 Cb 0.00 0.76 0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1jhs n THR 83 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jhs n ASN 84 N -0.16 1.80 -4.84 3.42 6.94 -1.26 -4.64 115.26 116.51 1jhs n ASN 84 Ca 0.01 -2.11 -0.32 0.00 -0.02 0.00 0.00 54.58 52.14 1jhs n ASN 84 Cb 0.50 -0.09 -0.00 0.00 -2.36 0.00 0.00 39.78 37.82 1jhs n ASN 84 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1jhs s GLU 85 N -1.23 3.60 0.02 -3.83 8.01 -1.26 -4.66 118.70 119.34 1jhs s GLU 85 Ca 0.06 0.98 0.00 0.00 0.01 0.00 0.00 54.97 56.02 1jhs s GLU 85 Cb 0.05 -2.08 -0.02 0.00 -4.31 0.00 0.00 34.13 27.77 1jhs s GLU 85 CO 0.01 -0.57 -0.03 -1.54 0.01 0.00 0.00 175.26 173.14 1jhs s SER 86 N -3.31 0.26 -0.08 -0.19 1.04 -1.11 -1.66 113.70 108.65 1jhs s SER 86 Ca 0.59 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.58 1jhs s SER 86 Cb -0.12 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.10 1jhs s SER 86 CO 0.40 -0.28 -0.17 -0.63 0.98 0.00 0.00 173.24 173.55 1jhs s ILE 87 N -1.36 1.50 -0.06 -1.02 1.01 0.42 -0.92 121.20 120.76 1jhs s ILE 87 Ca -0.15 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1jhs s ILE 87 Cb -0.09 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.05 1jhs s ILE 87 CO -0.01 0.44 -0.16 -0.63 0.00 0.00 0.00 174.94 174.58 1jhs s ILE 88 N 0.61 1.39 -0.12 2.92 1.01 0.17 -0.68 121.20 126.50 1jhs s ILE 88 Ca -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1jhs s ILE 88 Cb -0.16 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1jhs s ILE 88 CO 0.05 0.41 -0.12 -0.69 0.00 0.00 0.00 174.94 174.58 1jhs s VAL 89 N 0.34 3.14 -0.05 2.92 1.01 0.10 -0.61 120.40 127.25 1jhs s VAL 89 Ca -0.10 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1jhs s VAL 89 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1jhs s VAL 89 CO 0.04 0.53 -0.06 -0.62 0.00 0.00 0.00 175.10 174.99 1jhs s ASP 90 N 0.20 1.11 -0.47 3.32 -1.08 0.05 -1.20 116.67 118.60 1jhs s ASP 90 Ca -0.07 -0.16 -0.20 0.00 -0.52 0.00 0.00 52.55 51.60 1jhs s ASP 90 Cb -0.15 -0.51 0.04 0.00 -1.46 0.00 0.00 42.92 40.83 1jhs s ASP 90 CO 0.05 -0.04 0.61 -0.76 0.52 0.00 0.00 175.17 175.55 1jhs s LEU 91 N 0.91 4.74 0.31 -1.34 1.43 -0.33 -1.15 118.68 123.26 1jhs s LEU 91 Ca -0.11 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1jhs s LEU 91 Cb -0.14 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1jhs s LEU 91 CO 0.00 -0.81 0.01 -0.76 0.23 0.00 0.00 176.35 175.02 1jhs s LEU 92 N 2.67 3.05 0.52 1.79 1.43 -0.48 -4.87 118.68 122.80 1jhs s LEU 92 Ca 0.18 -0.86 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 1jhs s LEU 92 Cb -0.17 -1.49 -0.07 0.00 0.03 0.00 0.00 46.19 44.50 1jhs s LEU 92 CO 0.15 -0.15 1.11 -1.61 0.23 0.00 0.00 176.35 176.08 1jhs s GLU 93 N -3.70 3.49 0.27 1.70 2.02 -1.26 -0.07 118.70 121.14 1jhs s GLU 93 Ca 0.34 1.56 -0.30 0.00 0.02 0.00 0.00 54.97 56.59 1jhs s GLU 93 Cb -0.03 -2.05 -0.11 0.00 0.10 0.00 0.00 34.13 32.05 1jhs s GLU 93 CO 0.20 -0.73 1.51 0.99 0.02 0.00 0.00 175.26 177.25 1jhs s THR 94 N -1.81 2.40 0.16 3.63 2.01 -1.03 -4.23 115.64 116.78 1jhs s THR 94 Ca 0.71 0.34 -0.19 0.00 0.31 0.00 0.00 61.69 62.86 1jhs s THR 94 Cb -0.22 -3.22 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 1jhs s THR 94 CO 0.26 0.05 0.65 0.54 -0.69 0.00 0.00 174.62 175.43 1jhs s VAL 95 N 0.03 4.66 -0.75 3.82 0.11 -1.26 -4.95 120.40 122.07 1jhs s VAL 95 Ca 0.61 1.19 -0.05 0.00 -2.93 0.00 0.00 61.98 60.80 1jhs s VAL 95 Cb -0.44 -3.86 -0.08 0.00 -1.53 0.00 0.00 36.38 30.46 1jhs s VAL 95 CO 0.45 0.32 2.22 -0.67 -3.33 0.00 0.00 175.10 174.09 1jhs n ASP 96 N 1.05 4.75 -3.82 3.54 2.03 -1.26 -4.73 116.55 118.11 1jhs n ASP 96 Ca -0.05 -2.28 -0.24 0.00 0.52 0.00 0.00 54.79 52.74 1jhs n ASP 96 Cb 0.51 -1.07 -0.17 0.00 -0.72 0.00 0.00 41.12 39.67 1jhs n ASP 96 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1jhs s LYS 97 N 2.96 0.91 0.11 -0.67 -0.14 -1.26 -5.06 119.74 116.60 1jhs s LYS 97 Ca 0.41 -0.02 -0.14 0.00 -1.36 0.00 0.00 55.97 54.87 1jhs s LYS 97 Cb 0.13 -1.15 -0.08 0.00 -1.68 0.00 0.00 37.83 35.05 1jhs s LYS 97 CO -0.03 -0.27 1.43 0.77 -0.76 0.00 0.00 175.35 176.49 1jhs h SER 98 N 8.19 0.83 -2.98 2.83 0.02 -1.99 -3.43 113.55 117.03 1jhs h SER 98 Ca -0.24 -0.48 -0.53 0.00 -0.84 0.00 0.00 61.79 59.70 1jhs h SER 98 Cb 1.13 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 63.45 1jhs h SER 98 CO 0.32 1.14 0.75 -0.62 -1.14 0.00 0.00 176.83 177.28 1jhs s ASP 99 N -6.66 6.83 0.11 3.07 -1.08 -1.26 -4.95 116.67 112.74 1jhs s ASP 99 Ca -0.12 2.28 -0.26 0.00 -0.52 0.00 0.00 52.55 53.93 1jhs s ASP 99 Cb 0.09 -2.58 -0.08 0.00 -1.46 0.00 0.00 42.92 38.89 1jhs s ASP 99 CO 0.85 -0.67 1.64 0.25 0.52 0.00 0.00 175.17 177.77 1jhs h LEU 100 N 7.15 -0.69 -1.09 -1.34 5.85 -1.87 -0.67 115.31 122.65 1jhs h LEU 100 Ca -0.41 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1jhs h LEU 100 Cb 1.20 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1jhs h LEU 100 CO 0.87 -0.33 0.50 0.50 -0.34 0.00 0.00 178.44 179.65 1jhs h LYS 101 N -0.43 1.12 -0.72 1.25 3.64 -1.98 -1.07 116.57 118.38 1jhs h LYS 101 Ca 0.04 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1jhs h LYS 101 Cb 0.47 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1jhs h LYS 101 CO -0.15 0.79 0.20 0.93 -2.27 0.00 0.00 179.45 178.95 1jhs h GLU 102 N 1.14 1.13 -0.72 1.90 5.08 -1.88 0.41 114.58 121.65 1jhs h GLU 102 Ca 0.30 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1jhs h GLU 102 Cb -0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1jhs h GLU 102 CO -0.06 0.97 0.18 0.00 -1.00 0.00 0.00 179.01 179.11 1jhs h ALA 103 N 1.14 0.94 -0.23 3.43 0.00 -0.55 -1.63 119.26 122.36 1jhs h ALA 103 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jhs h ALA 103 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1jhs h ALA 103 CO -0.00 0.66 0.07 2.35 0.00 0.00 0.00 179.25 182.33 1jhs h TRP 104 N 1.08 0.37 -0.87 0.00 7.01 -0.78 -1.86 115.95 120.90 1jhs h TRP 104 Ca 0.23 -0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.24 1jhs h TRP 104 Cb 0.36 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.26 1jhs h TRP 104 CO 0.03 0.44 0.57 1.96 -2.79 0.00 0.00 178.44 178.64 1jhs h GLN 105 N 0.21 0.98 -0.40 2.65 4.20 -0.68 0.91 115.11 122.98 1jhs h GLN 105 Ca 0.07 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1jhs h GLN 105 Cb 0.24 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1jhs h GLN 105 CO -0.00 0.65 0.23 0.35 -0.67 0.00 0.00 178.83 179.38 1jhs h PHE 106 N 1.01 0.55 -0.05 2.96 3.57 -0.96 -0.70 116.94 123.31 1jhs h PHE 106 Ca 0.37 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.74 1jhs h PHE 106 Cb 0.15 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1jhs h PHE 106 CO -0.00 0.41 -0.51 0.45 -2.23 0.00 0.00 178.31 176.43 1jhs h HIS 107 N 0.52 0.18 -0.31 0.41 3.86 -0.46 -2.44 115.15 116.90 1jhs h HIS 107 Ca 0.14 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1jhs h HIS 107 Cb 0.04 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1jhs h HIS 107 CO -0.03 0.63 0.03 0.28 0.86 0.00 0.00 177.93 179.70 1jhs h VAL 108 N 0.12 1.24 -0.61 2.45 2.07 -0.58 -2.91 116.25 118.03 1jhs h VAL 108 Ca 0.00 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1jhs h VAL 108 Cb 0.95 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 1jhs h VAL 108 CO 0.07 0.28 0.32 -0.08 0.02 0.00 0.00 177.57 178.18 1jhs h GLU 109 N 0.34 0.57 -0.80 1.57 4.57 -0.89 0.15 114.58 120.09 1jhs h GLU 109 Ca 0.09 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 1jhs h GLU 109 Cb 0.38 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 1jhs h GLU 109 CO 0.01 0.38 0.52 -0.44 -1.18 0.00 0.00 179.01 178.30 1jhs h ASP 110 N 0.59 0.79 -0.08 1.04 3.32 -1.35 0.16 116.42 120.89 1jhs h ASP 110 Ca 0.28 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 1jhs h ASP 110 Cb 0.21 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1jhs h ASP 110 CO -0.20 0.52 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.22 1jhs h LEU 111 N 0.91 0.62 -0.14 1.55 3.38 -1.06 -3.33 115.31 117.24 1jhs h LEU 111 Ca 0.33 -0.67 -0.23 0.00 0.09 0.00 0.00 57.88 57.40 1jhs h LEU 111 Cb 0.16 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jhs h LEU 111 CO -0.11 1.20 -0.91 0.71 0.09 0.00 0.00 178.44 179.41 1jhs h THR 112 N 0.10 1.33 -0.37 0.22 1.35 -0.72 -3.24 112.91 111.57 1jhs h THR 112 Ca -0.05 -2.23 0.11 0.00 -0.55 0.00 0.00 66.41 63.69 1jhs h THR 112 Cb 1.21 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 69.88 1jhs h THR 112 CO 0.11 0.68 0.30 -0.33 -0.25 0.00 0.00 175.52 176.04 1jhs h GLU 113 N 0.37 0.00 0.00 4.72 5.08 -0.82 0.04 114.58 123.97 1jhs h GLU 113 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1jhs h GLU 113 Cb 1.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 1jhs h GLU 113 CO 0.17 0.00 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.06 1jhs h LEU 114 N 0.00 0.00 -1.29 1.33 3.38 -1.67 -2.53 115.31 114.54 1jhs h LEU 114 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1jhs h LEU 114 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1jhs h LEU 114 CO -0.00 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.17 1jhs n ASN 115 N -3.18 1.96 0.00 -0.43 5.03 -0.01 -4.90 115.26 113.72 1jhs n ASN 115 Ca 0.00 -1.72 0.00 0.00 0.87 0.00 0.00 54.58 53.73 1jhs n ASN 115 Cb 0.31 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 1jhs n ASN 115 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jhs n GLY 116 N 1.21 0.71 3.74 7.41 0.00 -0.95 -4.98 105.19 112.33 1jhs n GLY 116 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1jhs n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jhs s THR 117 N -2.42 3.10 -0.09 2.61 2.01 -1.14 -0.73 115.64 118.97 1jhs s THR 117 Ca 0.00 0.91 0.08 0.00 0.31 0.00 0.00 61.69 62.99 1jhs s THR 117 Cb 0.00 -3.58 -0.11 0.00 0.01 0.00 0.00 72.50 68.81 1jhs s THR 117 CO 0.00 0.14 0.21 0.35 -0.69 0.00 0.00 174.62 174.63 1jhs n THR 118 N 2.51 0.00 -3.76 -0.82 -2.24 0.87 -4.32 114.28 106.53 1jhs n THR 118 Ca 0.06 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1jhs n THR 118 Cb 0.42 0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 1jhs n THR 118 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jhs s LYS 119 N -2.37 0.42 0.13 -0.78 1.02 -1.01 -4.97 119.74 112.18 1jhs s LYS 119 Ca -0.02 0.41 -0.02 0.00 0.02 0.00 0.00 55.97 56.37 1jhs s LYS 119 Cb 0.05 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1jhs s LYS 119 CO 0.33 -0.06 0.08 1.67 -0.92 0.00 0.00 175.35 176.44 1jhs s TRP 120 N 0.04 0.78 0.07 3.18 1.48 -1.26 -0.68 118.94 122.55 1jhs s TRP 120 Ca -0.01 -1.16 0.05 0.00 -1.06 0.00 0.00 56.10 53.91 1jhs s TRP 120 Cb -0.03 -0.42 -0.03 0.00 -1.16 0.00 0.00 33.47 31.83 1jhs s TRP 120 CO 0.01 -0.53 -0.14 -1.83 -4.06 0.00 0.00 176.95 170.40 1jhs s GLU 121 N -4.03 0.80 -0.43 3.25 -1.05 0.15 -4.86 118.70 112.53 1jhs s GLU 121 Ca 0.22 -0.92 -0.21 0.00 -0.15 0.00 0.00 54.97 53.91 1jhs s GLU 121 Cb 0.07 -0.79 0.02 0.00 -0.44 0.00 0.00 34.13 33.00 1jhs s GLU 121 CO 0.01 0.18 0.68 0.00 0.95 0.00 0.00 175.26 177.07 1jhs s ALA 122 N -1.24 3.34 0.26 -0.84 0.00 -1.26 -1.47 121.76 120.55 1jhs s ALA 122 Ca -0.02 -1.13 0.11 0.00 0.00 0.00 0.00 51.96 50.92 1jhs s ALA 122 Cb -0.10 -3.34 0.38 0.00 0.00 0.00 0.00 23.12 20.07 1jhs s ALA 122 CO 0.02 -1.79 1.62 -0.07 0.00 0.00 0.00 175.76 175.55 1jhs h LEU 123 N 9.78 0.00 -7.48 0.00 3.38 -1.05 -3.45 115.31 116.49 1jhs h LEU 123 Ca -0.25 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 1jhs h LEU 123 Cb 1.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 1jhs h LEU 123 CO 0.91 0.60 -0.26 -1.58 0.09 0.00 0.00 178.44 178.19 1jhs s GLN 124 N -3.61 0.66 -0.14 1.13 0.74 -1.22 -4.94 119.66 112.28 1jhs s GLN 124 Ca -0.01 -0.11 -0.29 0.00 0.05 0.00 0.00 55.36 55.00 1jhs s GLN 124 Cb 0.12 0.29 0.07 0.00 1.10 0.00 0.00 33.01 34.60 1jhs s GLN 124 CO 0.76 -0.18 0.71 -1.83 -0.55 0.00 0.00 175.29 174.20 1jhs s GLU 125 N -1.17 0.96 -0.15 1.67 -1.05 -1.26 -1.26 118.70 116.44 1jhs s GLU 125 Ca -0.12 0.55 -0.22 0.00 -0.15 0.00 0.00 54.97 55.03 1jhs s GLU 125 Cb -0.05 0.46 0.05 0.00 -0.44 0.00 0.00 34.13 34.15 1jhs s GLU 125 CO 0.04 -0.24 0.56 -0.51 0.95 0.00 0.00 175.26 176.06 1jhs s ASP 126 N -0.57 -0.55 -0.40 0.83 1.11 0.39 -4.97 116.67 112.51 1jhs s ASP 126 Ca -0.06 0.90 -0.21 0.00 0.18 0.00 0.00 52.55 53.36 1jhs s ASP 126 Cb -0.02 0.90 0.01 0.00 1.07 0.00 0.00 42.92 44.89 1jhs s ASP 126 CO 0.06 -0.33 0.66 -0.89 1.18 0.00 0.00 175.17 175.86 1jhs s THR 127 N -0.27 4.83 0.03 -1.27 2.01 -1.26 -1.33 115.64 118.38 1jhs s THR 127 Ca -0.04 0.40 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 1jhs s THR 127 Cb -0.03 -4.16 -0.30 0.00 0.01 0.00 0.00 72.50 68.02 1jhs s THR 127 CO 0.03 -0.48 0.98 0.58 -0.69 0.00 0.00 174.62 175.05 1jhs h VAL 128 N 5.80 1.30 -2.71 3.82 2.07 -1.21 -3.45 116.25 121.87 1jhs h VAL 128 Ca -0.26 -2.87 -0.18 0.00 0.82 0.00 0.00 66.70 64.21 1jhs h VAL 128 Cb 1.10 2.88 -0.31 0.00 -1.52 0.00 0.00 31.29 33.44 1jhs h VAL 128 CO 0.88 0.85 -0.48 -1.58 0.02 0.00 0.00 177.57 177.26 1jhs s GLN 129 N -2.63 0.21 0.20 1.57 0.74 -0.85 -4.97 119.66 113.93 1jhs s GLN 129 Ca -0.07 0.82 -0.32 0.00 0.05 0.00 0.00 55.36 55.84 1jhs s GLN 129 Cb 0.06 0.04 -0.15 0.00 1.10 0.00 0.00 33.01 34.07 1jhs s GLN 129 CO 0.88 -0.29 1.28 1.04 -0.55 0.00 0.00 175.29 177.65 1jhs n GLN 130 N 5.36 1.55 0.00 1.67 1.13 -1.26 -1.64 117.38 124.19 1jhs n GLN 130 Ca -0.07 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 1jhs n GLN 130 Cb 0.50 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.72 1jhs n GLN 130 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jhs n GLY 131 N 2.13 2.65 0.00 1.08 0.00 -1.26 -4.70 105.19 105.09 1jhs n GLY 131 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jhs n GLY 131 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jhs n THR 132 N -0.36 0.00 -3.96 2.61 -2.24 -0.71 -4.82 114.28 104.80 1jhs n THR 132 Ca 0.00 -0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.54 1jhs n THR 132 Cb 0.00 0.26 -0.17 0.00 -2.10 0.00 0.00 70.33 68.32 1jhs n THR 132 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jhs s LYS 133 N -0.99 1.01 -0.00 -0.78 1.02 -0.65 0.06 119.74 119.41 1jhs s LYS 133 Ca 0.00 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 55.92 1jhs s LYS 133 Cb 0.00 -1.15 -0.01 0.00 -0.52 0.00 0.00 37.83 36.15 1jhs s LYS 133 CO 0.00 -0.22 -0.06 0.12 -0.92 0.00 0.00 175.35 174.27 1jhs s PHE 134 N 1.55 0.57 0.07 3.18 5.36 -0.53 -0.59 117.98 127.60 1jhs s PHE 134 Ca -0.00 -0.12 0.03 0.00 -0.96 0.00 0.00 56.93 55.87 1jhs s PHE 134 Cb -0.13 -0.36 -0.03 0.00 -0.34 0.00 0.00 43.02 42.15 1jhs s PHE 134 CO -0.04 -0.01 -0.08 0.95 -1.46 0.00 0.00 175.22 174.57 1jhs s THR 135 N -0.21 0.72 0.02 0.12 -4.23 -0.44 -0.38 115.64 111.24 1jhs s THR 135 Ca 0.02 -1.49 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 1jhs s THR 135 Cb -0.03 -1.15 0.10 0.00 1.34 0.00 0.00 72.50 72.77 1jhs s THR 135 CO -0.00 -0.56 1.07 -0.83 -0.54 0.00 0.00 174.62 173.76 1jhs s GLY 136 N -2.24 -0.34 -0.09 3.99 0.00 -0.67 -0.46 107.32 107.50 1jhs s GLY 136 Ca 0.01 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.45 1jhs s GLY 136 CO -0.01 0.19 -0.09 1.08 0.00 0.00 0.00 173.10 174.27 1jhs s LEU 137 N -2.73 2.99 0.06 0.66 1.43 -0.39 -0.53 118.68 120.17 1jhs s LEU 137 Ca 0.11 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 1jhs s LEU 137 Cb 0.00 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1jhs s LEU 137 CO -0.03 0.29 -0.17 -0.69 0.23 0.00 0.00 176.35 175.97 1jhs s VAL 138 N -0.36 1.38 -0.10 -1.59 1.01 0.18 -0.34 120.40 120.57 1jhs s VAL 138 Ca 0.05 -1.23 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 1jhs s VAL 138 Cb -0.12 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.04 1jhs s VAL 138 CO 0.02 -0.01 0.27 -0.32 0.00 0.00 0.00 175.10 175.06 1jhs s MET 139 N -1.44 0.28 0.37 2.72 0.00 -0.54 -1.00 119.30 119.69 1jhs s MET 139 Ca 0.03 0.44 -0.27 0.00 0.00 0.00 0.00 55.69 55.89 1jhs s MET 139 Cb -0.09 0.05 -0.10 0.00 0.00 0.00 0.00 34.83 34.69 1jhs s MET 139 CO 0.02 -0.09 1.35 -2.00 0.00 0.00 0.00 175.02 174.31 1jhs s GLU 140 N 0.58 4.13 0.00 4.11 2.12 -1.26 -0.67 118.70 127.71 1jhs s GLU 140 Ca -0.04 2.29 0.00 0.00 0.36 0.00 0.00 54.97 57.58 1jhs s GLU 140 Cb -0.05 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1jhs s GLU 140 CO -0.03 -0.40 0.00 1.33 -0.54 0.00 0.00 175.26 175.61 1jhs n VAL 141 N 0.44 0.00 -3.76 3.70 0.24 0.15 -4.84 118.33 114.25 1jhs n VAL 141 Ca 0.02 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 1jhs n VAL 141 Cb 0.42 0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 33.42 1jhs n VAL 141 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jhs s ALA 142 N -1.34 -0.81 0.30 2.33 0.00 -0.95 -4.78 121.76 116.51 1jhs s ALA 142 Ca 0.00 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1jhs s ALA 142 Cb 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 1jhs s ALA 142 CO 0.00 -0.20 0.07 0.54 0.00 0.00 0.00 175.76 176.17 1jhs s ASN 143 N -0.46 1.86 0.43 0.00 2.20 -1.26 -0.09 114.94 117.62 1jhs s ASN 143 Ca -0.06 -1.38 0.30 0.00 -0.94 0.00 0.00 52.86 50.78 1jhs s ASN 143 Cb -0.04 0.02 1.47 0.00 -2.00 0.00 0.00 41.25 40.70 1jhs s ASN 143 CO 0.02 -0.66 1.90 0.07 -2.94 0.00 0.00 177.10 175.49 1jhs h LYS 144 N 2.23 0.00 -0.01 3.55 2.10 -1.25 -2.02 116.57 121.17 1jhs h LYS 144 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1jhs h LYS 144 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1jhs h LYS 144 CO 0.66 0.00 -0.21 0.91 -2.00 0.00 0.00 179.45 178.81 1jhs n TRP 145 N -2.59 0.00 -1.76 0.07 8.01 -1.26 -4.95 117.44 114.96 1jhs n TRP 145 Ca -0.01 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.08 1jhs n TRP 145 Cb 0.14 -0.06 -0.03 0.00 -2.01 0.00 0.00 31.31 29.35 1jhs n TRP 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jhs n GLY 146 N 1.32 0.57 2.39 6.99 0.00 -0.76 -4.97 105.19 110.72 1jhs n GLY 146 Ca 0.13 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 1jhs n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jhs n LYS 147 N -2.36 0.70 0.08 1.61 4.76 -1.26 -4.96 118.16 116.73 1jhs n LYS 147 Ca -0.12 -3.44 0.08 0.00 -2.87 0.00 0.00 58.31 51.96 1jhs n LYS 147 Cb 0.47 -1.64 0.36 0.00 -1.84 0.00 0.00 35.03 32.39 1jhs n LYS 147 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1jhs n PRO 148 N 2.15 0.09 -0.48 1.97 -0.04 -1.26 -2.04 135.00 135.40 1jhs n PRO 148 Ca 0.26 0.46 0.05 0.00 -0.04 0.00 0.00 63.50 64.23 1jhs n PRO 148 Cb 0.48 -1.73 0.22 0.00 -0.04 0.00 0.00 33.50 32.43 1jhs n PRO 148 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jhs n ASP 149 N -1.91 3.05 0.14 3.54 8.00 -1.26 -4.64 116.55 123.47 1jhs n ASP 149 Ca 0.01 -3.30 0.02 0.00 0.71 0.00 0.00 54.79 52.22 1jhs n ASP 149 Cb 0.11 -0.55 0.35 0.00 -0.02 0.00 0.00 41.12 41.01 1jhs n ASP 149 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1jhs h LEU 150 N 1.16 0.15 0.00 0.64 5.85 -1.83 -3.46 115.31 117.81 1jhs h LEU 150 Ca 0.07 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1jhs h LEU 150 Cb 1.40 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1jhs h LEU 150 CO 0.22 0.43 -0.05 0.00 -0.34 0.00 0.00 178.44 178.69 1jhs n ALA 151 N -2.48 -0.14 -1.61 1.25 0.00 -1.26 -5.14 120.51 111.13 1jhs n ALA 151 Ca -0.01 -0.58 -0.44 0.00 0.00 0.00 0.00 53.44 52.40 1jhs n ALA 151 Cb 0.36 0.47 -0.01 0.00 0.00 0.00 0.00 19.45 20.26 1jhs n ALA 151 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1jhs n GLN 152 N -0.21 1.50 -3.05 0.00 7.27 -1.26 -4.97 117.38 116.65 1jhs n GLN 152 Ca 0.00 0.53 -0.36 0.00 0.07 0.00 0.00 57.00 57.24 1jhs n GLN 152 Cb 0.21 -1.94 -0.06 0.00 2.41 0.00 0.00 30.24 30.86 1jhs n GLN 152 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1jhs s THR 153 N -1.05 4.53 -0.09 1.69 2.01 -1.26 -4.97 115.64 116.51 1jhs s THR 153 Ca 0.58 1.33 0.01 0.00 0.31 0.00 0.00 61.69 63.93 1jhs s THR 153 Cb -0.68 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.00 1jhs s THR 153 CO 0.60 0.16 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.89 1jhs s VAL 154 N -1.59 1.10 0.06 3.82 1.01 -1.26 -1.09 120.40 122.44 1jhs s VAL 154 Ca 0.45 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1jhs s VAL 154 Cb -0.16 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1jhs s VAL 154 CO 0.21 0.36 0.28 -0.69 0.00 0.00 0.00 175.10 175.26 1jhs s VAL 155 N 1.08 5.29 -0.09 2.92 1.01 -0.67 -4.53 120.40 125.40 1jhs s VAL 155 Ca -0.07 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1jhs s VAL 155 Cb -0.14 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1jhs s VAL 155 CO -0.01 0.23 -0.09 -0.63 0.00 0.00 0.00 175.10 174.59 1jhs s ILE 156 N -1.44 1.07 -0.00 2.22 1.01 -0.17 -0.90 121.20 122.99 1jhs s ILE 156 Ca 0.33 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 1jhs s ILE 156 Cb -0.13 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1jhs s ILE 156 CO 0.21 0.36 0.78 -0.83 0.00 0.00 0.00 174.94 175.46 1jhs s GLY 157 N 1.26 2.75 -0.06 6.18 0.00 0.43 -0.64 107.32 117.24 1jhs s GLY 157 Ca -0.03 0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.98 1jhs s GLY 157 CO -0.03 1.22 -0.10 0.14 0.00 0.00 0.00 173.10 174.33 1jhs s VAL 158 N 0.41 0.95 0.04 1.40 1.01 0.31 -1.05 120.40 123.47 1jhs s VAL 158 Ca 0.40 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1jhs s VAL 158 Cb -0.20 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1jhs s VAL 158 CO 0.22 0.31 -0.21 0.00 0.00 0.00 0.00 175.10 175.42 1jhs s ALA 159 N 0.74 1.80 -0.09 5.51 0.00 0.23 -1.67 121.76 128.28 1jhs s ALA 159 Ca -0.14 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1jhs s ALA 159 Cb -0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 1jhs s ALA 159 CO 0.03 0.40 -0.23 -1.17 0.00 0.00 0.00 175.76 174.79 1jhs s LEU 160 N -1.19 2.05 -0.22 0.00 2.96 0.49 -1.11 118.68 121.66 1jhs s LEU 160 Ca 0.08 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1jhs s LEU 160 Cb -0.09 -1.35 0.06 0.00 0.50 0.00 0.00 46.19 45.31 1jhs s LEU 160 CO 0.02 0.17 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.55 1jhs s ILE 161 N 0.22 1.37 -0.37 6.68 1.01 -0.10 -1.45 121.20 128.55 1jhs s ILE 161 Ca -0.14 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.20 1jhs s ILE 161 Cb -0.17 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.67 1jhs s ILE 161 CO 0.07 -0.08 0.79 -0.13 0.00 0.00 0.00 174.94 175.59 1jhs s ARG 162 N 1.47 3.73 -1.08 2.79 0.52 0.11 -0.50 118.95 125.99 1jhs s ARG 162 Ca -0.04 0.30 -0.05 0.00 -0.52 0.00 0.00 55.73 55.42 1jhs s ARG 162 Cb -0.18 -3.82 0.31 0.00 0.52 0.00 0.00 34.95 31.78 1jhs s ARG 162 CO -0.07 -0.88 1.45 1.28 0.02 0.00 0.00 175.30 177.10 1jhs n LEU 163 N 6.47 6.35 -0.34 2.53 4.77 0.96 -4.84 117.00 132.90 1jhs n LEU 163 Ca 0.03 -5.20 0.16 0.00 -0.03 0.00 0.00 56.01 50.97 1jhs n LEU 163 Cb 0.48 -1.29 0.38 0.00 -2.33 0.00 0.00 43.42 40.66 1jhs n LEU 163 CO 0.54 1.66 1.19 0.74 -1.33 0.00 0.00 177.39 180.20 1jhs h THR 164 N 3.44 0.64 0.00 -5.08 2.02 -1.93 0.32 112.91 112.33 1jhs h THR 164 Ca 0.20 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1jhs h THR 164 Cb 0.64 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1jhs h THR 164 CO 1.31 0.12 -0.01 -0.61 0.37 0.00 0.00 175.52 176.70 1jhs h GLN 165 N 0.65 0.00 0.00 6.66 4.15 -1.93 -2.38 115.11 122.26 1jhs h GLN 165 Ca 0.59 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.01 1jhs h GLN 165 Cb 1.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1jhs h GLN 165 CO -0.37 0.01 -0.01 1.19 -1.93 0.00 0.00 178.83 177.71 1jhs n PHE 166 N -3.69 0.00 -4.06 3.99 3.01 0.04 -4.99 117.46 111.76 1jhs n PHE 166 Ca -0.03 -0.79 -0.32 0.00 1.01 0.00 0.00 57.45 57.33 1jhs n PHE 166 Cb 0.09 -0.11 -0.01 0.00 -0.01 0.00 0.00 39.48 39.44 1jhs n PHE 166 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1jhs n ASP 167 N -1.05 -2.85 -4.06 4.37 2.03 -0.82 -4.95 116.55 109.22 1jhs n ASP 167 Ca 0.10 -0.95 -0.24 0.00 0.52 0.00 0.00 54.79 54.22 1jhs n ASP 167 Cb 0.50 -3.16 -0.16 0.00 -0.72 0.00 0.00 41.12 37.58 1jhs n ASP 167 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1jhs s THR 168 N -3.47 1.18 -0.32 5.18 2.01 -0.90 -2.47 115.64 116.85 1jhs s THR 168 Ca 0.51 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.89 1jhs s THR 168 Cb -0.27 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1jhs s THR 168 CO 0.89 0.36 0.11 -1.81 -0.69 0.00 0.00 174.62 173.48 1jhs s ASP 169 N 0.37 5.32 -0.16 3.53 1.01 0.90 -0.03 116.67 127.61 1jhs s ASP 169 Ca -0.09 -0.90 -0.25 0.00 0.71 0.00 0.00 52.55 52.02 1jhs s ASP 169 Cb -0.13 -1.91 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 1jhs s ASP 169 CO 0.03 -0.27 0.80 -0.69 0.21 0.00 0.00 175.17 175.24 1jhs s VAL 170 N 1.48 4.91 -0.19 -1.27 1.01 0.34 -1.38 120.40 125.31 1jhs s VAL 170 Ca 0.01 1.57 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 1jhs s VAL 170 Cb -0.18 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1jhs s VAL 170 CO 0.03 0.06 -0.13 -0.69 0.00 0.00 0.00 175.10 174.37 1jhs s VAL 171 N 1.95 2.68 -0.21 2.92 1.01 -0.30 -0.92 120.40 127.53 1jhs s VAL 171 Ca 0.37 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1jhs s VAL 171 Cb -0.17 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1jhs s VAL 171 CO 0.13 0.49 0.00 -0.63 0.00 0.00 0.00 175.10 175.10 1jhs s ILE 172 N 1.21 3.94 -0.02 2.22 1.01 -0.26 -0.77 121.20 128.52 1jhs s ILE 172 Ca 0.02 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1jhs s ILE 172 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1jhs s ILE 172 CO -0.06 0.42 -0.23 -0.94 0.00 0.00 0.00 174.94 174.12 1jhs s SER 173 N 1.10 2.76 -0.15 3.58 1.04 0.22 -0.60 113.70 121.65 1jhs s SER 173 Ca 0.02 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 56.02 1jhs s SER 173 Cb -0.14 -0.34 0.04 0.00 0.10 0.00 0.00 66.02 65.67 1jhs s SER 173 CO 0.01 0.28 -0.07 -0.63 0.98 0.00 0.00 173.24 173.82 1jhs s ILE 174 N -0.52 1.15 -0.05 -1.02 1.01 -0.22 -0.66 121.20 120.90 1jhs s ILE 174 Ca 0.08 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 1jhs s ILE 174 Cb -0.09 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1jhs s ILE 174 CO -0.01 0.22 0.56 0.20 0.00 0.00 0.00 174.94 175.92 1jhs s ASN 175 N 1.63 6.87 -0.41 3.58 0.01 -0.10 -0.43 114.94 126.10 1jhs s ASN 175 Ca 0.02 1.04 0.02 0.00 -0.71 0.00 0.00 52.86 53.23 1jhs s ASN 175 Cb -0.14 -2.34 0.12 0.00 0.41 0.00 0.00 41.25 39.30 1jhs s ASN 175 CO -0.08 0.05 0.18 -0.69 -1.51 0.00 0.00 177.10 175.05 1jhs s VAL 176 N 0.15 1.57 -0.25 1.60 1.01 -0.08 -2.74 120.40 121.66 1jhs s VAL 176 Ca 0.30 -2.36 -0.29 0.00 0.00 0.00 0.00 61.98 59.62 1jhs s VAL 176 Cb -0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1jhs s VAL 176 CO 0.15 -0.79 1.47 -2.84 0.00 0.00 0.00 175.10 173.09 1jhs s PRO 177 N 0.64 3.86 0.48 2.72 0.02 -1.26 -1.67 135.00 139.79 1jhs s PRO 177 Ca 0.15 1.48 -0.19 0.00 0.02 0.00 0.00 61.00 62.46 1jhs s PRO 177 Cb -0.22 -3.96 -0.09 0.00 0.02 0.00 0.00 34.50 30.25 1jhs s PRO 177 CO -0.07 -1.20 0.99 -0.51 -0.33 0.00 0.00 177.00 175.88 1jhs s LEU 178 N 4.78 3.78 0.79 -5.54 1.43 -0.25 -5.01 118.68 118.67 1jhs s LEU 178 Ca 0.64 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 1jhs s LEU 178 Cb -0.21 -4.53 0.07 0.00 0.03 0.00 0.00 46.19 41.55 1jhs s LEU 178 CO 0.26 -0.59 1.16 0.42 0.23 0.00 0.00 176.35 177.83 1jhs s THR 179 N -2.31 2.15 0.24 5.49 -4.23 -1.26 -4.59 115.64 111.13 1jhs s THR 179 Ca 0.62 0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 61.09 1jhs s THR 179 Cb -0.11 -3.04 0.22 0.00 1.34 0.00 0.00 72.50 70.90 1jhs s THR 179 CO 0.22 -0.05 1.88 0.50 -0.54 0.00 0.00 174.62 176.63 1jhs h LYS 180 N -0.99 1.07 -0.27 3.99 3.64 -1.99 -0.89 116.57 121.13 1jhs h LYS 180 Ca -0.46 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1jhs h LYS 180 Cb 1.32 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1jhs h LYS 180 CO 0.65 0.71 0.11 1.49 -2.27 0.00 0.00 179.45 180.15 1jhs h GLU 181 N 1.10 0.41 -0.34 1.90 4.57 -2.00 -2.01 114.58 118.21 1jhs h GLU 181 Ca 0.36 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.39 1jhs h GLU 181 Cb 0.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1jhs h GLU 181 CO -0.12 0.42 -0.10 0.93 -1.18 0.00 0.00 179.01 178.96 1jhs h GLU 182 N 0.30 0.58 -0.38 1.92 5.08 -1.84 -2.30 114.58 117.92 1jhs h GLU 182 Ca 0.09 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1jhs h GLU 182 Cb 0.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1jhs h GLU 182 CO -0.01 0.67 -0.17 0.00 -1.00 0.00 0.00 179.01 178.51 1jhs h ALA 183 N 1.36 0.99 -0.47 3.43 0.00 -0.97 -1.51 119.26 122.09 1jhs h ALA 183 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1jhs h ALA 183 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jhs h ALA 183 CO 0.03 0.60 0.16 0.77 0.00 0.00 0.00 179.25 180.81 1jhs h SER 184 N 0.63 0.67 0.06 0.00 0.02 -1.05 -0.59 113.55 113.30 1jhs h SER 184 Ca 0.10 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1jhs h SER 184 Cb 0.64 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1jhs h SER 184 CO 0.05 0.68 -0.07 1.56 -1.14 0.00 0.00 176.83 177.91 1jhs h GLN 185 N 0.62 -0.14 -0.69 3.45 4.20 -1.16 -0.87 115.11 120.51 1jhs h GLN 185 Ca 0.15 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.94 1jhs h GLN 185 Cb 0.24 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1jhs h GLN 185 CO -0.01 -0.10 0.38 0.00 -0.67 0.00 0.00 178.83 178.44 1jhs h ALA 186 N 0.78 0.94 0.00 3.87 0.00 -1.07 0.18 119.26 123.97 1jhs h ALA 186 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jhs h ALA 186 Cb 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jhs h ALA 186 CO -0.03 0.05 -0.09 0.66 0.00 0.00 0.00 179.25 179.84 1jhs h SER 187 N 0.69 0.00 -0.47 0.00 4.64 -0.82 -0.65 113.55 116.94 1jhs h SER 187 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1jhs h SER 187 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1jhs h SER 187 CO -0.20 0.09 0.00 -3.20 -0.87 0.00 0.00 176.83 172.65 1jhs n ASN 188 N -3.32 3.95 -1.65 4.97 5.15 0.20 -4.91 115.26 119.66 1jhs n ASN 188 Ca -0.01 -2.45 -0.18 0.00 -0.60 0.00 0.00 54.58 51.35 1jhs n ASN 188 Cb 0.29 -0.54 -0.05 0.00 -0.53 0.00 0.00 39.78 38.95 1jhs n ASN 188 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1jhs n LYS 189 N 0.68 -1.31 -4.42 1.20 5.02 -0.25 -5.00 118.16 114.07 1jhs n LYS 189 Ca 0.20 1.01 -0.34 0.00 -2.02 0.00 0.00 58.31 57.16 1jhs n LYS 189 Cb 0.78 -5.37 -0.11 0.00 -0.02 0.00 0.00 35.03 30.31 1jhs n LYS 189 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1jhs s GLU 190 N -4.09 3.35 -0.38 1.97 2.12 0.39 -4.98 118.70 117.08 1jhs s GLU 190 Ca 0.00 -0.49 -0.26 0.00 0.36 0.00 0.00 54.97 54.58 1jhs s GLU 190 Cb 0.00 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.57 1jhs s GLU 190 CO 0.00 0.43 0.94 -1.17 -0.54 0.00 0.00 175.26 174.92 1jhs s LEU 191 N -0.15 3.98 0.45 2.70 2.96 -1.26 -2.70 118.68 124.66 1jhs s LEU 191 Ca 0.03 0.53 -0.24 0.00 -0.22 0.00 0.00 54.13 54.24 1jhs s LEU 191 Cb -0.13 -3.27 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 1jhs s LEU 191 CO 0.02 -0.90 1.10 -2.65 -1.32 0.00 0.00 176.35 172.60 1jhs n PRO 192 N 6.87 1.47 -0.35 0.98 -0.02 -1.26 -4.83 135.00 137.87 1jhs n PRO 192 Ca 0.07 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 62.15 1jhs n PRO 192 Cb 0.48 -2.19 0.24 0.00 -0.02 0.00 0.00 33.50 32.01 1jhs n PRO 192 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jhs h ALA 193 N 1.53 1.52 -0.27 3.55 0.00 -1.97 -1.47 119.26 122.16 1jhs h ALA 193 Ca -0.46 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1jhs h ALA 193 Cb 1.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1jhs h ALA 193 CO 0.57 0.26 -0.14 -0.09 0.00 0.00 0.00 179.25 179.85 1jhs h ARG 194 N 1.01 0.45 -0.48 0.00 2.43 -1.90 -1.03 114.38 114.86 1jhs h ARG 194 Ca 0.47 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1jhs h ARG 194 Cb 0.41 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1jhs h ARG 194 CO -0.23 0.59 -0.04 0.00 -1.51 0.00 0.00 179.97 178.79 1jhs h HIS 196 N 0.76 0.92 -0.25 0.00 -0.00 -0.85 -0.27 115.15 115.47 1jhs h HIS 196 Ca 0.14 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 1jhs h HIS 196 Cb 0.51 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1jhs h HIS 196 CO 0.03 0.73 -0.13 0.00 -0.00 0.00 0.00 177.93 178.56 1jhs h ALA 197 N 1.34 0.35 -0.82 5.26 0.00 -0.53 -1.69 119.26 123.17 1jhs h ALA 197 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jhs h ALA 197 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1jhs h ALA 197 CO -0.01 0.22 0.48 0.28 0.00 0.00 0.00 179.25 180.22 1jhs h VAL 198 N 0.25 1.23 -0.28 0.00 2.07 -0.51 -1.07 116.25 117.94 1jhs h VAL 198 Ca 0.05 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1jhs h VAL 198 Cb 0.64 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1jhs h VAL 198 CO 0.04 0.25 -0.23 0.22 0.02 0.00 0.00 177.57 177.87 1jhs h TYR 199 N 1.14 0.59 -0.41 1.57 3.20 -0.86 0.49 116.97 122.68 1jhs h TYR 199 Ca 0.29 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1jhs h TYR 199 Cb -0.02 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1jhs h TYR 199 CO 0.01 0.72 -0.01 0.37 -1.64 0.00 0.00 178.16 177.60 1jhs h GLN 200 N 0.47 0.73 -0.35 1.82 4.15 -0.55 -1.46 115.11 119.92 1jhs h GLN 200 Ca 0.07 -0.24 0.02 0.00 0.77 0.00 0.00 58.65 59.28 1jhs h GLN 200 Cb 0.65 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1jhs h GLN 200 CO 0.05 0.82 0.18 1.25 -1.93 0.00 0.00 178.83 179.20 1jhs h LEU 201 N 0.56 0.27 -0.38 -2.39 5.85 -0.74 -0.41 115.31 118.07 1jhs h LEU 201 Ca 0.11 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1jhs h LEU 201 Cb 0.50 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1jhs h LEU 201 CO 0.02 0.20 0.11 0.25 -0.34 0.00 0.00 178.44 178.68 1jhs h LEU 202 N 0.37 0.08 -0.88 2.25 5.85 -0.70 0.35 115.31 122.63 1jhs h LEU 202 Ca 0.15 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1jhs h LEU 202 Cb 0.05 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1jhs h LEU 202 CO -0.10 0.08 0.02 1.56 -0.34 0.00 0.00 178.44 179.66 1jhs h GLN 203 N 0.25 0.85 -0.48 1.25 4.20 -0.90 -2.01 115.11 118.26 1jhs h GLN 203 Ca 0.18 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1jhs h GLN 203 Cb 0.19 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1jhs h GLN 203 CO -0.21 0.84 -0.04 0.93 -0.67 0.00 0.00 178.83 179.68 1jhs h GLU 204 N 0.79 0.83 -0.70 1.46 5.08 -0.25 -0.17 114.58 121.63 1jhs h GLU 204 Ca 0.16 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1jhs h GLU 204 Cb 0.45 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1jhs h GLU 204 CO 0.02 0.86 0.31 0.52 -1.00 0.00 0.00 179.01 179.71 1jhs h MET 205 N 0.77 1.02 -0.18 2.33 2.86 -0.61 0.05 114.93 121.18 1jhs h MET 205 Ca 0.14 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1jhs h MET 205 Cb 0.52 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1jhs h MET 205 CO 0.03 0.81 -0.18 0.28 1.06 0.00 0.00 176.91 178.91 1jhs h VAL 206 N 1.01 1.33 -0.10 -2.22 2.07 -0.92 -1.25 116.25 116.17 1jhs h VAL 206 Ca 0.24 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1jhs h VAL 206 Cb 0.15 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1jhs h VAL 206 CO -0.03 0.40 -0.26 0.03 0.02 0.00 0.00 177.57 177.74 1jhs h ARG 207 N 0.10 0.17 -0.01 1.57 3.08 -0.84 -2.85 114.38 115.60 1jhs h ARG 207 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1jhs h ARG 207 Cb 0.72 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1jhs h ARG 207 CO 0.04 0.43 -0.28 1.63 -1.07 0.00 0.00 179.97 180.72 1jhs n LYS 208 N -4.17 0.71 -1.88 0.04 4.76 -0.01 -4.93 118.16 112.67 1jhs n LYS 208 Ca -0.01 -0.41 -0.42 0.00 -2.87 0.00 0.00 58.31 54.60 1jhs n LYS 208 Cb 0.35 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 1jhs n LYS 208 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1jhs s PHE 209 N -2.57 2.27 -0.05 2.13 5.36 -0.48 -4.26 117.98 120.38 1jhs s PHE 209 Ca 0.23 0.20 -0.03 0.00 -0.96 0.00 0.00 56.93 56.37 1jhs s PHE 209 Cb 0.19 -4.02 0.03 0.00 -0.34 0.00 0.00 43.02 38.88 1jhs s PHE 209 CO 0.54 -4.15 0.12 -1.01 -1.46 0.00 0.00 175.22 169.26 1jhs s HIS 210 N 2.88 -0.12 -0.31 10.12 3.76 -0.20 -4.99 115.29 126.42 1jhs s HIS 210 Ca 0.76 0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 55.83 1jhs s HIS 210 Cb -0.41 -0.07 -0.00 0.00 1.11 0.00 0.00 32.58 33.21 1jhs s HIS 210 CO 0.33 -0.13 0.71 0.08 -0.85 0.00 0.00 174.74 174.89 1jhs s VAL 211 N 0.84 4.86 -0.15 -0.90 1.01 -1.26 -1.24 120.40 123.56 1jhs s VAL 211 Ca -0.07 1.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 1jhs s VAL 211 Cb -0.09 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 31.98 1jhs s VAL 211 CO -0.04 -0.20 0.28 0.52 0.00 0.00 0.00 175.10 175.66 1jhs n VAL 212 N 5.48 1.71 -3.88 2.92 0.31 0.19 -4.83 118.33 120.22 1jhs n VAL 212 Ca 0.01 -0.51 -0.30 0.00 -0.01 0.00 0.00 64.34 63.54 1jhs n VAL 212 Cb 0.48 -1.79 -0.15 0.00 -0.91 0.00 0.00 33.84 31.47 1jhs n VAL 212 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jhs s ASP 213 N -6.99 4.06 0.29 4.52 2.15 -0.79 -5.00 116.67 114.91 1jhs s ASP 213 Ca -0.25 -1.52 0.23 0.00 0.43 0.00 0.00 52.55 51.44 1jhs s ASP 213 Cb 0.07 -1.15 1.07 0.00 -0.30 0.00 0.00 42.92 42.61 1jhs s ASP 213 CO 0.71 -0.33 1.70 0.35 -0.17 0.00 0.00 175.17 177.43 1jhs n THR 214 N 4.65 0.91 0.22 1.71 -2.24 -1.26 -2.47 114.28 115.80 1jhs n THR 214 Ca -0.05 0.44 0.10 0.00 -2.27 0.00 0.00 64.05 62.27 1jhs n THR 214 Cb 0.43 -1.41 0.47 0.00 -2.10 0.00 0.00 70.33 67.73 1jhs n THR 214 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jhs n SER 215 N -2.26 0.49 0.26 3.42 3.41 -1.26 -0.74 113.62 116.94 1jhs n SER 215 Ca 0.01 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 1jhs n SER 215 Cb 0.15 -0.77 0.69 0.00 -0.26 0.00 0.00 64.21 64.02 1jhs n SER 215 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1jhs h LEU 216 N 0.00 0.00 -3.10 1.04 5.85 -1.88 -1.61 115.31 115.60 1jhs h LEU 216 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jhs h LEU 216 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1jhs h LEU 216 CO 0.00 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.63 1jhs n PHE 217 N -4.29 1.24 0.00 1.25 3.01 0.08 -5.22 117.46 113.53 1jhs n PHE 217 Ca -0.03 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.81 1jhs n PHE 217 Cb 0.12 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1jhs n PHE 217 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77