#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhb n SER 2 N 0.00 -3.59 -3.56 1.61 7.64 -1.26 -4.93 113.62 109.53 2jhb n SER 2 Ca 0.00 -0.19 -0.27 0.00 1.01 0.00 0.00 58.87 59.42 2jhb n SER 2 Cb 0.00 -3.01 -0.10 0.00 -1.01 0.00 0.00 64.21 60.09 2jhb n SER 2 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2jhb n MET 3 N -3.41 0.92 0.00 1.43 0.00 -1.26 -5.06 117.12 109.74 2jhb n MET 3 Ca -0.05 -3.72 0.00 0.00 -0.00 0.00 0.00 57.70 53.93 2jhb n MET 3 Cb 0.56 -1.89 0.00 0.00 0.00 0.00 0.00 33.22 31.89 2jhb n MET 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2jhb n PRO 4 N 2.32 0.46 0.00 2.12 -0.04 -1.26 -4.39 135.00 134.21 2jhb n PRO 4 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2jhb n PRO 4 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2jhb n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jhb n ARG 5 N -0.52 0.00 -4.20 0.54 3.00 -1.26 -4.64 116.66 109.57 2jhb n ARG 5 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2jhb n ARG 5 Cb 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 32.46 31.21 2jhb n ARG 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jhb s VAL 6 N -0.23 0.02 0.35 5.15 -7.23 -1.26 -4.34 120.40 112.87 2jhb s VAL 6 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2jhb s VAL 6 Cb 0.00 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2jhb s VAL 6 CO 0.00 -0.02 0.23 0.68 -0.31 0.00 0.00 175.10 175.69 2jhb s VAL 7 N -4.14 3.10 0.00 1.32 -7.23 -0.14 -4.78 120.40 108.53 2jhb s VAL 7 Ca 0.38 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2jhb s VAL 7 Cb 0.07 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.95 2jhb s VAL 7 CO 0.12 -0.14 0.51 -0.81 -0.31 0.00 0.00 175.10 174.47 2jhb n PRO 8 N -1.29 0.00 -2.47 4.82 -0.04 -1.26 -4.15 135.00 130.61 2jhb n PRO 8 Ca -0.02 0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 63.44 2jhb n PRO 8 Cb 0.61 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 2jhb n PRO 8 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jhb s ASP 9 N -2.23 6.39 0.21 3.54 2.15 -1.26 -4.79 116.67 120.67 2jhb s ASP 9 Ca 0.00 -2.01 -0.08 0.00 0.43 0.00 0.00 52.55 50.89 2jhb s ASP 9 Cb 0.00 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.18 2jhb s ASP 9 CO 0.00 -1.63 1.74 1.56 -0.17 0.00 0.00 175.17 176.67 2jhb h GLN 10 N 8.60 1.17 -0.23 4.34 4.20 -1.89 -2.41 115.11 128.89 2jhb h GLN 10 Ca 0.34 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 2jhb h GLN 10 Cb 0.92 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2jhb h GLN 10 CO 1.40 0.99 -0.43 -0.09 -0.67 0.00 0.00 178.83 180.03 2jhb h ARG 11 N 1.12 0.56 0.00 1.46 9.65 -1.96 0.35 114.38 125.57 2jhb h ARG 11 Ca 0.24 -0.30 -0.07 0.00 -1.10 0.00 0.00 59.98 58.75 2jhb h ARG 11 Cb 0.31 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2jhb h ARG 11 CO -0.01 0.89 -0.80 1.03 2.80 0.00 0.00 179.97 183.88 2jhb h SER 12 N 0.46 0.00 0.34 -3.80 0.87 -1.98 -3.23 113.55 106.21 2jhb h SER 12 Ca 0.03 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 2jhb h SER 12 Cb 0.94 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 2jhb h SER 12 CO 0.08 0.29 -0.31 0.50 -0.53 0.00 0.00 176.83 176.86 2jhb h LYS 13 N 0.00 0.00 -0.18 2.24 1.63 -0.87 0.14 116.57 119.54 2jhb h LYS 13 Ca -0.05 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.80 2jhb h LYS 13 Cb 1.26 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2jhb h LYS 13 CO 0.03 0.31 0.23 0.35 -3.45 0.00 0.00 179.45 176.93 2jhb h PHE 14 N 0.00 0.00 0.00 1.91 3.57 -0.96 -0.24 116.94 121.22 2jhb h PHE 14 Ca -0.00 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.23 2jhb h PHE 14 Cb 0.56 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 2jhb h PHE 14 CO 0.00 0.00 -2.00 -0.85 -2.23 0.00 0.00 178.31 173.23 2jhb n GLU 15 N -3.62 1.59 0.09 1.11 0.28 -0.78 -4.71 120.64 114.61 2jhb n GLU 15 Ca 0.02 -0.01 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2jhb n GLU 15 Cb 0.35 -1.38 -0.02 0.00 1.43 0.00 0.00 31.44 31.82 2jhb n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2jhb h ASN 16 N 0.00 0.00 -2.30 -1.84 2.35 -0.28 -3.42 115.58 110.09 2jhb h ASN 16 Ca -0.39 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.79 2jhb h ASN 16 Cb 1.89 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.26 2jhb h ASN 16 CO 0.02 0.42 1.34 -1.61 -1.65 0.00 0.00 177.43 175.94 2jhb s GLU 17 N -3.03 3.55 0.63 0.81 0.41 -0.14 -4.86 118.70 116.06 2jhb s GLU 17 Ca 0.00 2.07 0.34 0.00 -0.41 0.00 0.00 54.97 56.97 2jhb s GLU 17 Cb 0.08 -4.24 1.94 0.00 -1.78 0.00 0.00 34.13 30.13 2jhb s GLU 17 CO 0.78 -1.62 2.19 1.49 -0.49 0.00 0.00 175.26 177.60 2jhb h GLU 18 N 12.85 0.00 0.06 1.61 4.81 -1.90 -0.77 114.58 131.24 2jhb h GLU 18 Ca -0.41 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2jhb h GLU 18 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2jhb h GLU 18 CO 0.97 0.00 -0.03 0.35 -0.73 0.00 0.00 179.01 179.57 2jhb h PHE 19 N 0.00 -0.08 -0.00 0.92 3.04 -1.95 -2.77 116.94 116.09 2jhb h PHE 19 Ca 0.03 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 2jhb h PHE 19 Cb 0.28 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 2jhb h PHE 19 CO 0.00 0.02 -0.25 0.74 -2.02 0.00 0.00 178.31 176.80 2jhb h PHE 20 N -0.16 0.01 -0.25 0.41 0.04 -1.46 -2.40 116.94 113.12 2jhb h PHE 20 Ca -0.01 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2jhb h PHE 20 Cb 0.14 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 2jhb h PHE 20 CO -0.05 0.25 0.15 0.00 -0.60 0.00 0.00 178.31 178.07 2jhb h ARG 21 N 0.01 0.34 -0.43 1.51 2.47 -1.21 0.26 114.38 117.32 2jhb h ARG 21 Ca -0.00 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2jhb h ARG 21 Cb 0.44 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2jhb h ARG 21 CO 0.03 0.24 0.23 0.87 0.56 0.00 0.00 179.97 181.90 2jhb h LYS 22 N 0.35 0.61 0.01 0.04 1.57 -1.18 -3.13 116.57 114.84 2jhb h LYS 22 Ca 0.09 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 2jhb h LYS 22 Cb -0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2jhb h LYS 22 CO -0.02 0.49 -0.92 -0.07 -0.57 0.00 0.00 179.45 178.37 2jhb h LEU 23 N 0.57 0.25 0.00 2.94 3.38 -1.30 -3.43 115.31 117.72 2jhb h LEU 23 Ca 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2jhb h LEU 23 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jhb h LEU 23 CO -0.02 1.04 0.00 -0.24 0.09 0.00 0.00 178.44 179.30 2jhb n SER 24 N -3.63 -1.30 -1.75 -0.43 2.88 0.81 -4.44 113.62 105.76 2jhb n SER 24 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2jhb n SER 24 Cb 0.83 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 2jhb n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jhb n ARG 25 N 0.00 1.10 -1.43 -1.46 1.74 -1.26 -2.35 116.66 112.99 2jhb n ARG 25 Ca 0.00 0.00 -0.54 0.00 -0.77 0.00 0.00 57.85 56.54 2jhb n ARG 25 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 2jhb n ARG 25 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2jhb n GLU 26 N -0.70 0.81 -4.15 5.56 0.00 -1.26 -4.63 120.64 116.28 2jhb n GLU 26 Ca 0.00 0.24 -0.16 0.00 0.00 0.00 0.00 57.16 57.23 2jhb n GLU 26 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 31.44 29.22 2jhb n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb s GLU 28 N -3.12 4.33 0.10 0.00 2.56 -1.26 -0.31 118.70 120.99 2jhb s GLU 28 Ca 0.34 1.31 -0.03 0.00 0.00 0.00 0.00 54.97 56.59 2jhb s GLU 28 Cb 0.00 -2.50 -0.03 0.00 2.00 0.00 0.00 34.13 33.60 2jhb s GLU 28 CO 0.23 0.04 0.06 0.96 -0.56 0.00 0.00 175.26 175.99 2jhb s ILE 29 N -1.83 0.15 -0.16 -3.70 -4.36 -0.20 -0.49 121.20 110.61 2jhb s ILE 29 Ca 0.57 -1.74 -0.13 0.00 -0.26 0.00 0.00 60.65 59.09 2jhb s ILE 29 Cb -0.16 -1.76 0.05 0.00 1.25 0.00 0.00 42.46 41.83 2jhb s ILE 29 CO 0.21 -0.66 0.41 -0.75 0.24 0.00 0.00 174.94 174.39 2jhb s LYS 30 N -3.97 0.45 0.45 0.37 2.20 -0.06 -1.57 119.74 117.61 2jhb s LYS 30 Ca 0.15 0.65 -0.25 0.00 -0.36 0.00 0.00 55.97 56.16 2jhb s LYS 30 Cb 0.07 0.15 -0.08 0.00 -1.51 0.00 0.00 37.83 36.46 2jhb s LYS 30 CO -0.04 -0.09 1.30 -0.47 -0.36 0.00 0.00 175.35 175.69 2jhb s TYR 31 N 0.61 2.68 0.00 4.03 6.14 0.55 0.18 117.35 131.55 2jhb s TYR 31 Ca -0.03 1.41 0.00 0.00 0.64 0.00 0.00 57.07 59.09 2jhb s TYR 31 Cb -0.05 -3.67 0.00 0.00 0.42 0.00 0.00 41.96 38.66 2jhb s TYR 31 CO -0.04 -2.24 0.00 0.25 0.64 0.00 0.00 175.55 174.16 2jhb n THR 32 N -0.25 0.00 0.00 4.34 -2.24 -0.97 -4.79 114.28 110.37 2jhb n THR 32 Ca 0.06 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2jhb n THR 32 Cb 0.44 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2jhb n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jhb n GLY 33 N 0.63 -0.68 0.22 3.38 0.00 -0.50 -4.72 105.19 103.53 2jhb n GLY 33 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.00 2jhb n GLY 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2jhb h PHE 34 N 0.00 0.00 0.00 1.61 -5.15 -1.97 -3.05 116.94 108.39 2jhb h PHE 34 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2jhb h PHE 34 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 2jhb h PHE 34 CO 0.00 0.00 0.27 0.07 -2.00 0.00 0.00 178.31 176.65 2jhb h ARG 35 N 0.00 0.00 0.00 6.09 -0.00 -1.92 -3.30 114.38 115.25 2jhb h ARG 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2jhb h ARG 35 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 2jhb h ARG 35 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 179.97 176.50 2jhb n ASP 36 N -2.64 0.04 -4.44 0.08 2.03 -1.15 -4.71 116.55 105.75 2jhb n ASP 36 Ca -0.02 0.51 -0.29 0.00 0.52 0.00 0.00 54.79 55.52 2jhb n ASP 36 Cb 0.31 -0.52 0.22 0.00 -0.72 0.00 0.00 41.12 40.41 2jhb n ASP 36 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jhb s ARG 37 N -3.03 -0.51 0.91 -0.67 3.00 -1.25 -5.02 118.95 112.39 2jhb s ARG 37 Ca 0.03 0.49 -0.10 0.00 0.00 0.00 0.00 55.73 56.15 2jhb s ARG 37 Cb 0.04 -1.63 0.14 0.00 0.00 0.00 0.00 34.95 33.51 2jhb s ARG 37 CO 0.13 -3.36 1.15 -0.35 0.00 0.00 0.00 175.30 172.87 2jhb n PRO 38 N -4.61 -0.42 -0.98 3.54 -0.04 -1.26 -5.02 135.00 126.22 2jhb n PRO 38 Ca 0.06 -0.05 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2jhb n PRO 38 Cb 0.57 -2.38 0.22 0.00 -0.04 0.00 0.00 33.50 31.87 2jhb n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jhb n HIS 39 N -4.19 -3.82 0.00 0.54 8.25 -1.26 -4.30 115.22 110.44 2jhb n HIS 39 Ca 0.12 -0.90 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 2jhb n HIS 39 Cb 0.52 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.61 2jhb n HIS 39 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2jhb n GLU 40 N -4.47 0.00 -3.18 -0.41 2.13 -1.26 -4.56 120.64 108.89 2jhb n GLU 40 Ca 0.14 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.74 2jhb n GLU 40 Cb 0.53 -0.20 -0.05 0.00 0.27 0.00 0.00 31.44 31.99 2jhb n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jhb n GLU 41 N -0.49 1.37 0.00 5.31 4.07 -1.26 -4.82 120.64 124.82 2jhb n GLU 41 Ca 0.00 -3.67 0.00 0.00 -0.06 0.00 0.00 57.16 53.43 2jhb n GLU 41 Cb 0.00 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 2jhb n GLU 41 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2jhb n ARG 42 N 0.62 1.56 0.12 5.31 3.00 -1.26 -4.85 116.66 121.16 2jhb n ARG 42 Ca 0.25 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.97 2jhb n ARG 42 Cb 0.56 -0.30 -0.08 0.00 0.00 0.00 0.00 32.46 32.64 2jhb n ARG 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2jhb h GLN 43 N 0.00 -0.30 -0.38 -0.14 7.50 -1.91 0.33 115.11 120.20 2jhb h GLN 43 Ca 0.00 0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.06 2jhb h GLN 43 Cb 0.00 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.58 2jhb h GLN 43 CO 0.00 0.01 -0.21 1.15 -1.50 0.00 0.00 178.83 178.28 2jhb h THR 44 N -0.64 1.27 -0.98 -0.54 2.02 -1.95 -1.45 112.91 110.64 2jhb h THR 44 Ca -0.03 -1.31 0.08 0.00 0.77 0.00 0.00 66.41 65.92 2jhb h THR 44 Cb 0.45 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 2jhb h THR 44 CO 0.05 0.44 0.63 -0.09 0.37 0.00 0.00 175.52 176.92 2jhb h ARG 45 N 0.66 1.06 -0.56 6.66 9.65 -1.91 -2.37 114.38 127.57 2jhb h ARG 45 Ca 0.09 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 2jhb h ARG 45 Cb 0.71 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 2jhb h ARG 45 CO 0.05 0.70 0.35 0.35 2.80 0.00 0.00 179.97 184.23 2jhb h PHE 46 N 1.10 0.66 -0.66 2.20 3.57 0.75 0.53 116.94 125.09 2jhb h PHE 46 Ca 0.44 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.92 2jhb h PHE 46 Cb 0.26 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2jhb h PHE 46 CO -0.01 0.39 0.24 1.96 -2.23 0.00 0.00 178.31 178.67 2jhb h GLN 47 N 0.70 0.98 0.00 1.11 7.50 -1.20 0.10 115.11 124.30 2jhb h GLN 47 Ca 0.22 -0.17 -0.14 0.00 0.50 0.00 0.00 58.65 59.06 2jhb h GLN 47 Cb -0.01 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.33 2jhb h GLN 47 CO -0.08 0.81 -0.65 -0.91 -1.50 0.00 0.00 178.83 176.50 2jhb h ASN 48 N 0.95 0.00 0.46 1.46 2.35 -0.60 -1.86 115.58 118.34 2jhb h ASN 48 Ca 0.22 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.70 2jhb h ASN 48 Cb 0.21 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.59 2jhb h ASN 48 CO -0.02 0.65 -1.20 0.00 -1.65 0.00 0.00 177.43 175.22 2jhb h ALA 49 N 1.35 0.12 0.00 -0.83 0.00 0.13 -0.41 119.26 119.62 2jhb h ALA 49 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2jhb h ALA 49 Cb 1.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2jhb h ALA 49 CO 0.09 0.87 0.00 0.00 0.00 0.00 0.00 179.25 180.20 2jhb n ARG 51 N -2.63 0.64 -0.04 0.00 0.63 -0.70 -4.23 116.66 110.33 2jhb n ARG 51 Ca 0.00 0.25 0.21 0.00 -0.92 0.00 0.00 57.85 57.39 2jhb n ARG 51 Cb 0.19 -1.77 0.68 0.00 0.45 0.00 0.00 32.46 32.01 2jhb n ARG 51 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2jhb h ASP 52 N 0.00 0.03 0.00 6.15 3.58 -0.75 0.15 116.42 125.58 2jhb h ASP 52 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2jhb h ASP 52 Cb 1.94 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.98 2jhb h ASP 52 CO 0.07 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.05 2jhb n GLY 53 N -1.64 0.15 3.47 -0.78 0.00 -1.25 -1.66 105.19 103.47 2jhb n GLY 53 Ca 0.11 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2jhb n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jhb n ARG 54 N 0.00 -0.27 -0.55 1.61 -4.01 -1.26 -4.62 116.66 107.57 2jhb n ARG 54 Ca 0.00 -0.03 0.00 0.00 -1.04 0.00 0.00 57.85 56.78 2jhb n ARG 54 Cb 0.00 -1.95 0.00 0.00 -3.04 0.00 0.00 32.46 27.47 2jhb n ARG 54 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2jhb n SER 55 N -1.76 0.00 -3.56 2.89 2.88 0.60 -4.93 113.62 109.75 2jhb n SER 55 Ca 0.08 -0.39 -0.22 0.00 -1.33 0.00 0.00 58.87 57.00 2jhb n SER 55 Cb 0.53 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 2jhb n SER 55 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jhb s GLU 56 N -0.18 0.12 0.02 -1.46 2.12 -1.26 -0.71 118.70 117.34 2jhb s GLU 56 Ca 0.00 0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.41 2jhb s GLU 56 Cb 0.00 -1.53 -0.01 0.00 0.26 0.00 0.00 34.13 32.85 2jhb s GLU 56 CO 0.00 -0.66 -0.08 0.42 -0.54 0.00 0.00 175.26 174.40 2jhb s ILE 57 N 2.23 0.60 0.36 -3.70 1.01 -0.19 -1.41 121.20 120.10 2jhb s ILE 57 Ca 0.04 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.14 2jhb s ILE 57 Cb -0.16 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 2jhb s ILE 57 CO -0.10 -0.04 0.10 0.00 0.00 0.00 0.00 174.94 174.90 2jhb s ALA 58 N -0.64 3.41 0.55 9.38 0.00 0.13 -1.36 121.76 133.23 2jhb s ALA 58 Ca -0.02 -1.96 -0.05 0.00 0.00 0.00 0.00 51.96 49.93 2jhb s ALA 58 Cb -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2jhb s ALA 58 CO 0.00 -0.01 0.84 -0.06 0.00 0.00 0.00 175.76 176.53 2jhb s PHE 59 N -2.51 3.28 -0.09 0.00 0.40 -0.46 -0.88 117.98 117.72 2jhb s PHE 59 Ca 0.38 0.58 -0.01 0.00 -0.60 0.00 0.00 56.93 57.27 2jhb s PHE 59 Cb 0.00 -2.61 -0.05 0.00 0.51 0.00 0.00 43.02 40.88 2jhb s PHE 59 CO 0.21 -0.68 -0.09 0.28 0.70 0.00 0.00 175.22 175.65 2jhb n VAL 60 N -2.45 0.48 0.07 -0.44 0.31 0.36 -2.78 118.33 113.87 2jhb n VAL 60 Ca 0.04 -0.16 0.20 0.00 -0.01 0.00 0.00 64.34 64.40 2jhb n VAL 60 Cb 0.57 -1.13 0.73 0.00 -0.91 0.00 0.00 33.84 33.10 2jhb n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jhb h ALA 61 N -0.13 2.26 0.00 3.52 0.00 -1.90 -3.15 119.26 119.87 2jhb h ALA 61 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jhb h ALA 61 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jhb h ALA 61 CO -0.07 -0.58 0.00 2.41 0.00 0.00 0.00 179.25 181.01 2jhb n THR 62 N -4.09 0.00 -0.96 0.00 -1.04 -1.26 -5.06 114.28 101.87 2jhb n THR 62 Ca 0.07 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2jhb n THR 62 Cb 0.55 1.33 0.00 0.00 -1.82 0.00 0.00 70.33 70.40 2jhb n THR 62 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jhb n GLY 63 N 0.04 0.50 3.38 3.41 0.00 -1.12 -4.97 105.19 106.45 2jhb n GLY 63 Ca 0.00 -0.90 -0.45 0.00 0.00 0.00 0.00 46.02 44.67 2jhb n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s THR 64 N -2.00 5.03 -0.07 2.61 2.01 -1.20 -4.65 115.64 117.38 2jhb s THR 64 Ca 0.00 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.10 2jhb s THR 64 Cb 0.00 -4.57 -0.07 0.00 0.01 0.00 0.00 72.50 67.87 2jhb s THR 64 CO 0.00 -1.21 1.89 0.21 -0.69 0.00 0.00 174.62 174.82 2jhb s ASN 65 N 3.20 6.31 0.14 3.53 2.47 -1.26 -1.36 114.94 127.96 2jhb s ASN 65 Ca 0.20 2.28 0.03 0.00 0.42 0.00 0.00 52.86 55.78 2jhb s ASN 65 Cb -0.14 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.09 2jhb s ASN 65 CO -0.03 -1.21 -0.06 -1.48 -3.72 0.00 0.00 177.10 170.60 2jhb s LEU 66 N 5.15 2.42 -0.35 3.21 -0.00 -0.47 -4.94 118.68 123.70 2jhb s LEU 66 Ca 0.85 -1.05 -0.19 0.00 -0.00 0.00 0.00 54.13 53.73 2jhb s LEU 66 Cb -0.36 -0.17 -0.00 0.00 -0.00 0.00 0.00 46.19 45.66 2jhb s LEU 66 CO 0.36 -0.45 0.58 -0.44 -0.00 0.00 0.00 176.35 176.40 2jhb s SER 67 N -3.12 6.38 0.51 1.48 0.01 -1.26 -1.02 113.70 116.68 2jhb s SER 67 Ca 0.17 0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.34 2jhb s SER 67 Cb 0.05 -2.30 -0.08 0.00 0.21 0.00 0.00 66.02 63.90 2jhb s SER 67 CO -0.01 -0.53 0.99 -0.76 0.41 0.00 0.00 173.24 173.35 2jhb s LEU 68 N 2.56 3.67 -0.41 2.44 1.43 0.12 -4.92 118.68 123.56 2jhb s LEU 68 Ca 0.22 1.65 0.04 0.00 -1.03 0.00 0.00 54.13 55.01 2jhb s LEU 68 Cb -0.15 -4.52 0.17 0.00 0.03 0.00 0.00 46.19 41.72 2jhb s LEU 68 CO 0.14 -0.66 0.35 -1.10 0.23 0.00 0.00 176.35 175.31 2jhb s GLN 69 N -3.88 0.90 -1.53 1.70 -0.21 -1.26 -0.29 119.66 115.08 2jhb s GLN 69 Ca 0.61 -2.04 -0.10 0.00 0.02 0.00 0.00 55.36 53.85 2jhb s GLN 69 Cb -0.11 -1.35 -0.02 0.00 1.00 0.00 0.00 33.01 32.53 2jhb s GLN 69 CO 0.29 -1.38 2.68 1.19 -2.12 0.00 0.00 175.29 175.95 2jhb n PHE 70 N 2.89 2.66 -3.71 0.91 3.72 -1.26 -3.89 117.46 118.78 2jhb n PHE 70 Ca 0.29 -3.01 -0.38 0.00 -0.05 0.00 0.00 57.45 54.29 2jhb n PHE 70 Cb 0.48 -2.36 -0.11 0.00 -0.94 0.00 0.00 39.48 36.55 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jhb s PHE 71 N 1.64 3.39 0.35 1.38 0.08 -1.26 -4.63 117.98 118.93 2jhb s PHE 71 Ca 0.62 -1.82 -0.25 0.00 0.12 0.00 0.00 56.93 55.59 2jhb s PHE 71 Cb 0.17 -2.86 -0.13 0.00 -0.57 0.00 0.00 43.02 39.63 2jhb s PHE 71 CO -0.07 -0.87 0.84 -2.30 -0.10 0.00 0.00 175.22 172.72 2jhb n PRO 72 N 4.77 1.02 0.29 0.24 -0.02 -1.26 -4.79 135.00 135.27 2jhb n PRO 72 Ca -0.08 0.36 0.19 0.00 -2.02 0.00 0.00 63.50 61.95 2jhb n PRO 72 Cb 0.43 -1.73 0.92 0.00 -0.02 0.00 0.00 33.50 33.10 2jhb n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jhb h ALA 73 N 1.46 1.00 -1.42 3.55 0.00 -1.99 -3.01 119.26 118.84 2jhb h ALA 73 Ca -0.40 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.86 2jhb h ALA 73 Cb 1.36 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 2jhb h ALA 73 CO 0.57 0.00 1.31 -1.12 0.00 0.00 0.00 179.25 180.00 2jhb s SER 74 N -5.31 6.60 0.88 0.00 0.01 -1.26 -5.04 113.70 109.58 2jhb s SER 74 Ca -0.02 -1.83 -0.11 0.00 1.31 0.00 0.00 55.95 55.31 2jhb s SER 74 Cb 0.11 -2.50 0.12 0.00 0.21 0.00 0.00 66.02 63.95 2jhb s SER 74 CO 0.46 -1.28 1.09 0.26 0.41 0.00 0.00 173.24 174.19 2jhb s TRP 75 N 3.90 2.27 0.00 2.43 0.52 -1.14 -5.04 118.94 121.88 2jhb s TRP 75 Ca 0.42 1.40 0.00 0.00 0.02 0.00 0.00 56.10 57.94 2jhb s TRP 75 Cb -0.02 -3.14 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 2jhb s TRP 75 CO -0.08 -2.34 0.00 0.00 0.02 0.00 0.00 176.95 174.55 2jhb n GLN 76 N -3.87 0.00 0.00 4.98 0.00 -1.26 -5.09 117.38 112.14 2jhb n GLN 76 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.08 2jhb n GLN 76 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.78 2jhb n GLN 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jhb n GLY 77 N 2.66 0.20 0.00 2.61 0.00 -1.26 -5.15 105.19 104.25 2jhb n GLY 77 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2jhb n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jhb n GLU 78 N 0.00 0.00 -2.40 1.61 1.02 -1.26 -4.97 120.64 114.64 2jhb n GLU 78 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2jhb n GLU 78 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 2jhb n GLU 78 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2jhb n GLN 79 N 0.00 -2.46 -1.75 3.49 7.27 -0.67 -4.35 117.38 118.91 2jhb n GLN 79 Ca 0.00 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.44 2jhb n GLN 79 Cb 0.00 -4.91 0.00 0.00 2.41 0.00 0.00 30.24 27.74 2jhb n GLN 79 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2jhb n ARG 80 N -2.62 -4.28 0.00 3.69 0.63 0.51 -4.77 116.66 109.82 2jhb n ARG 80 Ca -0.09 3.13 0.00 0.00 -0.92 0.00 0.00 57.85 59.97 2jhb n ARG 80 Cb 0.55 -3.57 0.00 0.00 0.45 0.00 0.00 32.46 29.89 2jhb n ARG 80 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2jhb n GLN 81 N -0.08 0.00 -3.39 -0.14 -0.06 -1.26 -5.02 117.38 107.43 2jhb n GLN 81 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.74 2jhb n GLN 81 Cb 0.00 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.09 2jhb n GLN 81 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2jhb n THR 82 N 0.00 -0.74 -0.36 1.69 -1.04 -1.26 -5.10 114.28 107.47 2jhb n THR 82 Ca 0.00 -3.74 0.00 0.00 -2.04 0.00 0.00 64.05 58.27 2jhb n THR 82 Cb 0.00 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 2jhb n THR 82 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2jhb n PRO 83 N 2.36 -0.40 -2.12 -2.82 -0.04 -1.26 -5.06 135.00 125.66 2jhb n PRO 83 Ca 0.27 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.46 2jhb n PRO 83 Cb 0.48 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.02 2jhb n PRO 83 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2jhb s SER 84 N -1.49 4.65 0.08 3.54 0.01 -1.26 -4.84 113.70 114.39 2jhb s SER 84 Ca 0.00 0.51 -0.27 0.00 1.31 0.00 0.00 55.95 57.50 2jhb s SER 84 Cb 0.00 -1.09 -0.16 0.00 0.21 0.00 0.00 66.02 64.98 2jhb s SER 84 CO 0.00 -1.73 1.69 0.03 0.41 0.00 0.00 173.24 173.63 2jhb h ARG 85 N -0.76 -0.39 0.00 12.44 3.08 -1.80 -0.71 114.38 126.23 2jhb h ARG 85 Ca -0.45 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2jhb h ARG 85 Cb 1.32 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.45 2jhb h ARG 85 CO 0.60 -0.26 0.00 -1.91 -1.07 0.00 0.00 179.97 177.34 2jhb n GLU 86 N -5.27 0.13 0.00 0.04 2.13 -1.26 -2.78 120.64 113.63 2jhb n GLU 86 Ca -0.10 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2jhb n GLU 86 Cb 0.18 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.10 2jhb n GLU 86 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2jhb n TYR 87 N -2.06 0.00 -3.65 4.31 4.02 -0.92 -1.67 117.16 117.19 2jhb n TYR 87 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.74 2jhb n TYR 87 Cb 0.15 -0.42 -0.15 0.00 -0.02 0.00 0.00 39.34 38.90 2jhb n TYR 87 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2jhb s VAL 88 N -0.88 -0.31 0.04 -0.72 1.01 -0.32 -2.72 120.40 116.51 2jhb s VAL 88 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2jhb s VAL 88 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.01 2jhb s VAL 88 CO 0.00 0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.53 2jhb n ASP 89 N 5.33 -3.70 0.00 3.32 -0.08 -1.24 -4.56 116.55 115.61 2jhb n ASP 89 Ca -0.05 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 2jhb n ASP 89 Cb 0.50 -1.99 0.00 0.00 2.34 0.00 0.00 41.12 41.97 2jhb n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jhb n LEU 90 N 0.46 0.00 -0.34 -2.67 -0.00 -1.26 -4.41 117.00 108.78 2jhb n LEU 90 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2jhb n LEU 90 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2jhb n LEU 90 CO 0.00 0.00 0.14 1.21 -0.00 0.00 0.00 177.39 178.74 2jhb n GLU 91 N 0.00 0.00 -2.26 1.47 2.13 -1.26 -5.08 120.64 115.64 2jhb n GLU 91 Ca 0.00 -0.07 -0.00 0.00 0.66 0.00 0.00 57.16 57.75 2jhb n GLU 91 Cb 0.00 0.06 -0.00 0.00 0.27 0.00 0.00 31.44 31.77 2jhb n GLU 91 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jhb n ARG 92 N 0.00 -3.11 -0.56 5.31 5.12 -1.26 -5.06 116.66 117.11 2jhb n ARG 92 Ca -0.02 2.26 -0.09 0.00 -1.93 0.00 0.00 57.85 58.07 2jhb n ARG 92 Cb 0.30 -3.04 0.06 0.00 -1.16 0.00 0.00 32.46 28.63 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2jhb n GLU 93 N 1.93 -0.48 -2.15 5.56 0.00 -0.37 -4.88 120.64 120.25 2jhb n GLU 93 Ca -0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 57.16 56.22 2jhb n GLU 93 Cb 0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 31.44 31.00 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb s ALA 94 N -3.92 2.02 0.00 4.31 0.00 -1.26 -2.83 121.76 120.08 2jhb s ALA 94 Ca 0.23 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 50.01 2jhb s ALA 94 Cb -0.01 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.46 2jhb s ALA 94 CO 0.16 -4.87 0.00 0.41 0.00 0.00 0.00 175.76 171.46 2jhb n GLY 95 N 5.92 0.17 3.33 0.00 0.00 -1.26 -4.96 105.19 108.40 2jhb n GLY 95 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 2jhb n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s LYS 96 N -1.30 1.79 0.12 1.61 -2.85 -1.13 -0.70 119.74 117.27 2jhb s LYS 96 Ca 0.00 -2.05 0.04 0.00 -1.00 0.00 0.00 55.97 52.95 2jhb s LYS 96 Cb 0.00 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 2jhb s LYS 96 CO 0.00 -0.62 -0.09 0.54 0.10 0.00 0.00 175.35 175.28 2jhb s VAL 97 N -3.40 0.97 -0.07 1.79 0.11 0.03 -1.24 120.40 118.59 2jhb s VAL 97 Ca 0.37 -1.85 0.01 0.00 -2.93 0.00 0.00 61.98 57.58 2jhb s VAL 97 Cb 0.02 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 2jhb s VAL 97 CO 0.25 -0.69 -0.09 -0.31 -3.33 0.00 0.00 175.10 170.93 2jhb s TYR 98 N -3.01 2.89 0.03 1.54 1.51 -1.26 -0.88 117.35 118.17 2jhb s TYR 98 Ca 0.11 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 2jhb s TYR 98 Cb 0.01 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 2jhb s TYR 98 CO -0.01 0.26 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.17 2jhb s LEU 99 N -0.69 2.25 -0.29 -1.29 1.43 -0.53 -4.58 118.68 114.98 2jhb s LEU 99 Ca 0.10 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 2jhb s LEU 99 Cb -0.11 0.21 0.13 0.00 0.03 0.00 0.00 46.19 46.45 2jhb s LEU 99 CO 0.01 -0.43 0.89 -0.75 0.23 0.00 0.00 176.35 176.30 2jhb s LYS 100 N -2.45 0.48 -0.12 1.70 2.20 -0.67 -0.92 119.74 119.96 2jhb s LYS 100 Ca -0.07 0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 56.34 2jhb s LYS 100 Cb -0.03 0.10 0.05 0.00 -1.51 0.00 0.00 37.83 36.45 2jhb s LYS 100 CO -0.04 -0.10 0.08 0.00 -0.36 0.00 0.00 175.35 174.93 2jhb s ALA 101 N 1.45 0.32 0.11 3.13 0.00 0.06 -4.40 121.76 122.42 2jhb s ALA 101 Ca -0.09 -0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 2jhb s ALA 101 Cb -0.04 -0.88 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 2jhb s ALA 101 CO -0.16 -0.90 1.48 -1.25 0.00 0.00 0.00 175.76 174.92 2jhb s PRO 102 N 2.16 4.27 0.35 0.00 0.04 -1.25 -1.50 135.00 139.06 2jhb s PRO 102 Ca 0.03 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.35 2jhb s PRO 102 Cb -0.14 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 2jhb s PRO 102 CO -0.07 -0.54 -0.08 0.00 0.04 0.00 0.00 177.00 176.35 2jhb s MET 103 N 1.47 1.85 -0.47 4.56 0.23 -0.28 -4.60 119.30 122.07 2jhb s MET 103 Ca 0.67 -1.94 0.03 0.00 -1.03 0.00 0.00 55.69 53.43 2jhb s MET 103 Cb -0.39 -1.71 0.16 0.00 -1.53 0.00 0.00 34.83 31.36 2jhb s MET 103 CO 0.30 0.13 0.34 0.42 -2.03 0.00 0.00 175.02 174.17 2jhb s ILE 104 N -2.61 1.01 -0.17 3.16 1.01 -1.26 -2.94 121.20 119.40 2jhb s ILE 104 Ca 0.33 -2.83 -0.08 0.00 0.00 0.00 0.00 60.65 58.07 2jhb s ILE 104 Cb 0.03 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2jhb s ILE 104 CO 0.17 -1.10 0.09 -0.76 0.00 0.00 0.00 174.94 173.34 2jhb s LEU 105 N -0.05 4.01 0.00 2.97 2.01 -1.07 -4.41 118.68 122.14 2jhb s LEU 105 Ca 0.27 0.19 0.00 0.00 0.01 0.00 0.00 54.13 54.60 2jhb s LEU 105 Cb -0.06 -2.01 0.00 0.00 0.01 0.00 0.00 46.19 44.12 2jhb s LEU 105 CO -0.13 0.22 0.00 -3.20 1.01 0.00 0.00 176.35 174.25 2jhb n ASN 106 N 3.22 0.00 0.00 2.29 2.85 -1.26 -0.97 115.26 121.39 2jhb n ASN 106 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2jhb n ASN 106 Cb 0.53 -0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.40 2jhb n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jhb n GLY 107 N -0.66 2.00 2.94 8.20 0.00 -1.26 -4.61 105.19 111.80 2jhb n GLY 107 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2jhb n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jhb s VAL 108 N -2.00 1.25 -1.06 1.61 1.01 -0.15 -0.97 120.40 120.10 2jhb s VAL 108 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 2jhb s VAL 108 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2jhb s VAL 108 CO 0.00 0.34 1.79 0.00 0.00 0.00 0.00 175.10 177.23 2jhb s VAL 110 N 8.17 3.84 -0.12 0.00 -7.23 -1.15 -1.10 120.40 122.81 2jhb s VAL 110 Ca 0.61 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 2jhb s VAL 110 Cb -0.02 -3.42 -0.01 0.00 0.56 0.00 0.00 36.38 33.49 2jhb s VAL 110 CO 0.02 -0.30 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.70 2jhb s ILE 111 N -2.59 2.61 0.14 -0.62 1.01 0.34 -1.13 121.20 120.97 2jhb s ILE 111 Ca 0.49 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 2jhb s ILE 111 Cb -0.10 -2.06 -0.07 0.00 0.01 0.00 0.00 42.46 40.24 2jhb s ILE 111 CO 0.38 0.54 0.88 0.86 0.00 0.00 0.00 174.94 177.60 2jhb s TRP 112 N 0.35 3.86 0.12 3.97 -0.00 -0.56 -0.67 118.94 126.01 2jhb s TRP 112 Ca -0.15 1.72 0.03 0.00 -0.00 0.00 0.00 56.10 57.71 2jhb s TRP 112 Cb -0.17 -2.93 -0.04 0.00 -0.00 0.00 0.00 33.47 30.33 2jhb s TRP 112 CO 0.07 0.34 -0.07 -1.59 -0.00 0.00 0.00 176.95 175.70 2jhb s LYS 113 N -0.53 0.95 0.00 5.86 0.00 -0.33 -0.76 119.74 124.93 2jhb s LYS 113 Ca 0.41 -1.40 0.00 0.00 0.00 0.00 0.00 55.97 54.99 2jhb s LYS 113 Cb -0.23 -0.38 0.00 0.00 0.00 0.00 0.00 37.83 37.22 2jhb s LYS 113 CO 0.28 0.01 0.00 0.41 0.00 0.00 0.00 175.35 176.05 2jhb n GLY 114 N -0.12 -1.33 3.24 0.59 0.00 -0.10 -0.96 105.19 106.50 2jhb n GLY 114 Ca -0.11 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 2jhb n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jhb s TRP 115 N -2.69 1.77 -0.21 1.61 -2.14 0.64 -1.46 118.94 116.46 2jhb s TRP 115 Ca 0.00 -0.37 0.02 0.00 2.66 0.00 0.00 56.10 58.41 2jhb s TRP 115 Cb 0.00 -1.07 0.04 0.00 -3.10 0.00 0.00 33.47 29.34 2jhb s TRP 115 CO 0.00 0.07 -0.14 0.42 -2.66 0.00 0.00 176.95 174.63 2jhb s ILE 116 N -0.74 1.97 0.62 0.66 -1.09 -0.06 -1.21 121.20 121.35 2jhb s ILE 116 Ca 0.07 -1.18 -0.17 0.00 -2.23 0.00 0.00 60.65 57.14 2jhb s ILE 116 Cb -0.09 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.83 2jhb s ILE 116 CO 0.01 0.25 1.15 -0.62 -1.23 0.00 0.00 174.94 174.50 2jhb s ASP 117 N 1.26 5.16 0.00 3.58 -1.08 0.12 -0.79 116.67 124.92 2jhb s ASP 117 Ca -0.01 2.19 0.27 0.00 -0.52 0.00 0.00 52.55 54.47 2jhb s ASP 117 Cb -0.16 -2.58 1.49 0.00 -1.46 0.00 0.00 42.92 40.21 2jhb s ASP 117 CO -0.09 -1.60 1.93 0.18 0.52 0.00 0.00 175.17 176.11 2jhb n LEU 118 N -1.97 0.00 -0.09 -1.34 4.77 0.12 -2.30 117.00 116.20 2jhb n LEU 118 Ca 0.12 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 2jhb n LEU 118 Cb 0.51 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2jhb n LEU 118 CO 0.45 -0.02 0.87 1.12 -1.33 0.00 0.00 177.39 178.49 2jhb h HIS 119 N 0.00 0.42 0.00 -1.77 2.07 -1.87 -3.37 115.15 110.63 2jhb h HIS 119 Ca 0.00 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 2jhb h HIS 119 Cb 0.10 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 29.96 2jhb h HIS 119 CO 0.00 0.43 0.00 -2.13 -3.07 0.00 0.00 177.93 173.16 2jhb n ARG 120 N -4.75 0.00 -3.03 5.12 0.63 -1.26 -4.99 116.66 108.39 2jhb n ARG 120 Ca -0.02 -0.18 -0.13 0.00 -0.92 0.00 0.00 57.85 56.59 2jhb n ARG 120 Cb 0.14 -0.26 0.06 0.00 0.45 0.00 0.00 32.46 32.85 2jhb n ARG 120 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jhb n LEU 121 N 0.00 -4.50 -4.30 6.15 7.99 -0.97 -4.76 117.00 116.60 2jhb n LEU 121 Ca 0.00 -0.55 -0.16 0.00 -0.01 0.00 0.00 56.01 55.29 2jhb n LEU 121 Cb 0.43 -2.70 -0.10 0.00 -0.11 0.00 0.00 43.42 40.93 2jhb n LEU 121 CO 0.00 0.17 -0.25 -0.62 -1.51 0.00 0.00 177.39 175.18 2jhb s ASP 122 N -3.62 1.02 0.00 -1.43 -1.08 -1.21 -0.33 116.67 110.02 2jhb s ASP 122 Ca 0.24 -1.39 0.00 0.00 -0.52 0.00 0.00 52.55 50.88 2jhb s ASP 122 Cb -0.03 0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.63 2jhb s ASP 122 CO 0.60 -0.75 0.00 0.61 0.52 0.00 0.00 175.17 176.15 2jhb n GLY 123 N -0.43 -0.46 2.97 2.66 0.00 -0.61 0.13 105.19 109.44 2jhb n GLY 123 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 2jhb n GLY 123 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jhb s MET 124 N -1.68 0.11 0.19 1.61 -2.45 -0.35 -1.04 119.30 115.69 2jhb s MET 124 Ca 0.00 0.12 -0.17 0.00 -1.25 0.00 0.00 55.69 54.39 2jhb s MET 124 Cb 0.00 0.05 0.06 0.00 1.25 0.00 0.00 34.83 36.19 2jhb s MET 124 CO 0.00 -0.01 0.85 0.41 1.05 0.00 0.00 175.02 177.31 2jhb n GLY 125 N 3.02 0.78 0.92 2.11 0.00 0.58 -0.26 105.19 112.33 2jhb n GLY 125 Ca -0.12 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.75 2jhb n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jhb s LEU 127 N 0.00 3.92 0.31 0.00 1.43 -0.99 -1.18 118.68 122.16 2jhb s LEU 127 Ca 0.06 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2jhb s LEU 127 Cb -0.01 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2jhb s LEU 127 CO 0.01 0.15 0.08 -1.83 0.23 0.00 0.00 176.35 175.00 2jhb s GLU 128 N -2.54 1.59 0.65 1.70 -1.05 0.16 -4.63 118.70 114.57 2jhb s GLU 128 Ca 0.31 -1.88 -0.10 0.00 -0.15 0.00 0.00 54.97 53.15 2jhb s GLU 128 Cb -0.12 -0.59 -0.00 0.00 -0.44 0.00 0.00 34.13 32.98 2jhb s GLU 128 CO 0.23 -0.26 1.02 0.12 0.95 0.00 0.00 175.26 177.32 2jhb s PHE 129 N -3.47 3.38 -0.31 4.83 5.36 -1.26 -0.50 117.98 126.01 2jhb s PHE 129 Ca 0.36 0.99 0.02 0.00 -0.96 0.00 0.00 56.93 57.34 2jhb s PHE 129 Cb 0.08 -2.87 0.09 0.00 -0.34 0.00 0.00 43.02 39.97 2jhb s PHE 129 CO 0.15 -0.94 0.03 0.34 -1.46 0.00 0.00 175.22 173.33 2jhb s ASP 130 N -4.29 4.44 0.24 6.13 -1.08 -0.26 -4.36 116.67 117.49 2jhb s ASP 130 Ca 0.56 -1.82 -0.05 0.00 -0.52 0.00 0.00 52.55 50.72 2jhb s ASP 130 Cb -0.11 -1.39 0.26 0.00 -1.46 0.00 0.00 42.92 40.22 2jhb s ASP 130 CO 0.50 -0.34 1.77 -0.08 0.52 0.00 0.00 175.17 177.54 2jhb h GLU 131 N 7.78 0.98 0.14 4.34 4.81 -1.98 0.70 114.58 131.35 2jhb h GLU 131 Ca -0.10 -0.22 -0.28 0.00 -0.13 0.00 0.00 59.36 58.63 2jhb h GLU 131 Cb 1.03 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.28 2jhb h GLU 131 CO 0.49 0.88 -1.26 1.49 -0.73 0.00 0.00 179.01 179.88 2jhb h GLU 132 N 0.94 0.35 -0.13 1.92 4.81 -1.96 -1.86 114.58 118.66 2jhb h GLU 132 Ca 0.20 -0.56 -0.13 0.00 -0.13 0.00 0.00 59.36 58.73 2jhb h GLU 132 Cb 0.34 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2jhb h GLU 132 CO 0.00 1.26 -0.51 0.00 -0.73 0.00 0.00 179.01 179.03 2jhb h ARG 133 N 0.11 0.34 -0.31 1.92 3.08 -1.93 0.25 114.38 117.84 2jhb h ARG 133 Ca -0.15 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 2jhb h ARG 133 Cb 1.97 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 2jhb h ARG 133 CO 0.22 0.77 0.12 0.00 -1.07 0.00 0.00 179.97 180.01 2jhb h ALA 134 N 1.20 0.40 -0.62 0.04 0.00 -0.74 0.23 119.26 119.76 2jhb h ALA 134 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2jhb h ALA 134 Cb 0.98 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2jhb h ALA 134 CO 0.08 -0.01 0.27 1.96 0.00 0.00 0.00 179.25 181.56 2jhb h GLN 135 N 0.34 0.89 0.08 0.00 4.20 -1.25 0.16 115.11 119.54 2jhb h GLN 135 Ca 0.10 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jhb h GLN 135 Cb 0.18 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2jhb h GLN 135 CO -0.01 0.71 -0.04 0.37 -0.67 0.00 0.00 178.83 179.20 2jhb h GLN 136 N 0.88 -0.11 -0.20 1.46 4.15 -0.54 -2.11 115.11 118.65 2jhb h GLN 136 Ca 0.21 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.52 2jhb h GLN 136 Cb 0.14 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2jhb h GLN 136 CO -0.02 0.12 -0.40 1.49 -1.93 0.00 0.00 178.83 178.09 2jhb h GLU 137 N -0.33 0.45 -0.81 1.69 4.57 -0.32 0.11 114.58 119.95 2jhb h GLU 137 Ca -0.01 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 57.97 2jhb h GLU 137 Cb 0.28 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 2jhb h GLU 137 CO 0.02 0.78 0.53 -0.44 -1.18 0.00 0.00 179.01 178.72 2jhb h ASP 138 N 0.38 0.89 -0.02 1.04 3.32 -0.67 0.18 116.42 121.54 2jhb h ASP 138 Ca 0.03 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 2jhb h ASP 138 Cb 0.86 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.21 2jhb h ASP 138 CO 0.07 0.63 -0.57 0.00 -1.72 0.00 0.00 179.24 177.65 2jhb h ALA 139 N 1.51 0.10 0.00 3.45 0.00 -0.67 -3.30 119.26 120.35 2jhb h ALA 139 Ca 0.31 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jhb h ALA 139 Cb -0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jhb h ALA 139 CO -0.08 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.80 2jhb n LEU 140 N -4.23 0.54 -0.98 0.00 4.77 0.33 -1.31 117.00 116.12 2jhb n LEU 140 Ca -0.10 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2jhb n LEU 140 Cb 0.65 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2jhb n LEU 140 CO 0.46 -0.54 0.19 0.00 -1.33 0.00 0.00 177.39 176.18 2jhb n ALA 141 N -1.72 1.88 -3.39 -1.18 0.00 0.58 -4.77 120.51 111.91 2jhb n ALA 141 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 2jhb n ALA 141 Cb 0.20 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.73 2jhb n ALA 141 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jhb n GLN 142 N 0.78 -4.92 0.00 0.00 7.27 -0.80 -4.79 117.38 114.91 2jhb n GLN 142 Ca 0.00 0.84 0.13 0.00 0.07 0.00 0.00 57.00 58.04 2jhb n GLN 142 Cb 0.19 -5.79 0.33 0.00 2.41 0.00 0.00 30.24 27.39 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07