#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 -6.00 -3.12 1.61 2.88 -1.26 -4.96 113.62 102.77 2jhb n SER 2 Ca 0.00 -0.22 -0.21 0.00 -1.33 0.00 0.00 58.87 57.11 2jhb n SER 2 Cb 0.00 -4.86 -0.04 0.00 -0.75 0.00 0.00 64.21 58.56 2jhb n SER 2 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2jhb n MET 3 N -3.73 0.77 -1.62 -1.46 -0.00 -1.26 -4.83 117.12 104.99 2jhb n MET 3 Ca -0.14 -3.03 -0.29 0.00 -0.00 0.00 0.00 57.70 54.24 2jhb n MET 3 Cb 0.63 -1.32 0.21 0.00 -0.00 0.00 0.00 33.22 32.75 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 1.22 -1.75 -0.44 3.17 -0.04 -1.26 -4.07 135.00 131.83 2jhb n PRO 4 Ca 0.20 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 2jhb n PRO 4 Cb 0.57 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -4.01 0.00 -4.09 0.54 0.63 -1.26 -4.79 116.66 103.68 2jhb n ARG 5 Ca 0.16 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.99 2jhb n ARG 5 Cb 0.56 -3.48 -0.09 0.00 0.45 0.00 0.00 32.46 29.90 2jhb n ARG 5 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2jhb s VAL 6 N -2.00 0.10 0.38 5.15 -7.23 -1.26 -4.33 120.40 111.21 2jhb s VAL 6 Ca 0.00 -1.76 0.07 0.00 -1.81 0.00 0.00 61.98 58.48 2jhb s VAL 6 Cb 0.00 -1.95 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 2jhb s VAL 6 CO 0.00 -0.46 -0.02 0.68 -0.31 0.00 0.00 175.10 174.99 2jhb s VAL 7 N -4.02 2.00 -0.01 1.32 -7.23 0.52 -4.65 120.40 108.34 2jhb s VAL 7 Ca 0.21 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 2jhb s VAL 7 Cb 0.06 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2jhb s VAL 7 CO 0.00 -0.06 0.60 1.55 -0.31 0.00 0.00 175.10 176.88 2jhb h PRO 8 N 1.88 -0.26 -4.22 4.82 0.14 -1.93 -3.33 132.00 129.09 2jhb h PRO 8 Ca -0.43 0.02 -0.69 0.00 0.14 0.00 0.00 66.00 65.03 2jhb h PRO 8 Cb 1.24 0.06 -0.03 0.00 0.14 0.00 0.00 31.00 32.42 2jhb h PRO 8 CO 0.77 -0.18 2.91 -0.25 0.14 0.00 0.00 178.00 181.39 2jhb n ASP 9 N -3.32 3.69 0.02 1.44 8.00 -1.26 -4.69 116.55 120.43 2jhb n ASP 9 Ca -0.03 -2.82 -0.12 0.00 0.71 0.00 0.00 54.79 52.53 2jhb n ASP 9 Cb 0.11 -1.57 -0.07 0.00 -0.02 0.00 0.00 41.12 39.56 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2jhb h GLN 10 N 6.48 0.03 -0.11 -1.24 4.20 -1.87 -0.35 115.11 122.25 2jhb h GLN 10 Ca 0.53 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.15 2jhb h GLN 10 Cb 0.66 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2jhb h GLN 10 CO 1.87 0.12 -0.33 -0.09 -0.67 0.00 0.00 178.83 179.72 2jhb h ARG 11 N -0.07 0.22 -0.14 1.46 9.65 -1.94 0.33 114.38 123.89 2jhb h ARG 11 Ca 0.01 -0.09 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 2jhb h ARG 11 Cb 0.10 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2jhb h ARG 11 CO -0.00 0.53 -0.26 0.77 2.80 0.00 0.00 179.97 183.81 2jhb h SER 12 N 0.19 0.47 -0.65 -3.80 0.02 -1.94 -3.28 113.55 104.56 2jhb h SER 12 Ca 0.02 -0.55 0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2jhb h SER 12 Cb 0.69 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2jhb h SER 12 CO 0.05 0.93 0.43 0.50 -1.14 0.00 0.00 176.83 177.60 2jhb h LYS 13 N 0.03 0.85 -0.89 3.45 1.63 -0.22 0.66 116.57 122.09 2jhb h LYS 13 Ca 0.01 -0.05 0.24 0.00 -0.85 0.00 0.00 60.65 60.00 2jhb h LYS 13 Cb 0.84 -0.19 -0.14 0.00 -0.60 0.00 0.00 32.23 32.14 2jhb h LYS 13 CO 0.06 0.57 0.30 0.35 -3.45 0.00 0.00 179.45 177.27 2jhb h PHE 14 N 0.88 0.47 0.00 1.91 3.57 -1.02 -0.24 116.94 122.51 2jhb h PHE 14 Ca 0.24 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2jhb h PHE 14 Cb -0.09 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.58 2jhb h PHE 14 CO -0.00 -0.18 -1.19 0.39 -2.23 0.00 0.00 178.31 175.10 2jhb n GLU 15 N -5.18 0.27 -0.08 1.11 -0.58 -0.36 -4.51 120.64 111.32 2jhb n GLU 15 Ca 0.23 -0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.81 2jhb n GLU 15 Cb 0.71 -1.55 -0.07 0.00 -0.57 0.00 0.00 31.44 29.96 2jhb n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2jhb h ASN 16 N 0.00 0.00 -1.74 1.62 2.35 0.05 -3.47 115.58 114.39 2jhb h ASN 16 Ca 0.00 -0.37 -0.68 0.00 -0.55 0.00 0.00 56.30 54.70 2jhb h ASN 16 Cb 0.71 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.13 2jhb h ASN 16 CO 0.00 1.02 0.59 -0.62 -1.65 0.00 0.00 177.43 176.77 2jhb n GLU 17 N -4.58 1.31 0.03 0.81 -0.58 -0.19 -4.88 120.64 112.55 2jhb n GLU 17 Ca -0.15 0.47 0.06 0.00 -0.42 0.00 0.00 57.16 57.12 2jhb n GLU 17 Cb 0.41 -2.15 0.48 0.00 -0.57 0.00 0.00 31.44 29.61 2jhb n GLU 17 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jhb h GLU 18 N 5.33 0.42 0.62 3.49 5.08 -1.92 -1.52 114.58 126.08 2jhb h GLU 18 Ca -0.47 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2jhb h GLU 18 Cb 1.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2jhb h GLU 18 CO 0.83 0.28 -0.31 0.35 -1.00 0.00 0.00 179.01 179.15 2jhb h PHE 19 N 0.43 -0.81 -0.62 4.33 3.04 -1.97 -0.88 116.94 120.47 2jhb h PHE 19 Ca 0.15 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 2jhb h PHE 19 Cb 0.07 0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 2jhb h PHE 19 CO -0.00 -0.50 0.24 0.74 -2.02 0.00 0.00 178.31 176.78 2jhb h PHE 20 N -0.85 0.90 -0.21 0.41 0.04 -1.80 -2.80 116.94 112.63 2jhb h PHE 20 Ca -0.08 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.55 2jhb h PHE 20 Cb 0.66 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2jhb h PHE 20 CO -0.04 0.70 -0.24 0.00 -0.60 0.00 0.00 178.31 178.12 2jhb h ARG 21 N 0.88 0.39 -0.37 1.51 2.47 -0.98 0.17 114.38 118.46 2jhb h ARG 21 Ca 0.21 -0.14 -0.10 0.00 -1.26 0.00 0.00 59.98 58.69 2jhb h ARG 21 Cb 0.18 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 2jhb h ARG 21 CO -0.02 0.62 -0.17 0.87 0.56 0.00 0.00 179.97 181.83 2jhb h LYS 22 N 0.35 0.69 0.00 0.04 1.57 -0.91 -2.78 116.57 115.53 2jhb h LYS 22 Ca 0.05 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 2jhb h LYS 22 Cb 0.62 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2jhb h LYS 22 CO 0.04 0.82 -0.77 -0.07 -0.57 0.00 0.00 179.45 178.90 2jhb h LEU 23 N 0.62 0.00 0.00 2.94 3.38 -1.20 -3.36 115.31 117.68 2jhb h LEU 23 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jhb h LEU 23 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jhb h LEU 23 CO 0.04 0.77 0.00 -0.24 0.09 0.00 0.00 178.44 179.10 2jhb n SER 24 N -3.55 -4.56 -4.08 -0.43 2.88 0.54 -4.49 113.62 99.93 2jhb n SER 24 Ca -0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2jhb n SER 24 Cb 0.76 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.41 2jhb n SER 24 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2jhb s ARG 25 N 0.00 0.56 -0.76 -1.46 0.52 -1.26 -1.57 118.95 114.99 2jhb s ARG 25 Ca 0.00 -0.50 -0.28 0.00 -0.52 0.00 0.00 55.73 54.44 2jhb s ARG 25 Cb 0.00 -1.86 -0.18 0.00 0.52 0.00 0.00 34.95 33.43 2jhb s ARG 25 CO 0.00 -2.45 2.17 -0.85 0.02 0.00 0.00 175.30 174.19 2jhb n GLU 26 N -3.77 0.00 -4.24 3.54 0.28 -1.26 -4.74 120.64 110.45 2jhb n GLU 26 Ca 0.16 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.92 2jhb n GLU 26 Cb 0.59 -1.25 -0.06 0.00 1.43 0.00 0.00 31.44 32.15 2jhb n GLU 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jhb s GLU 28 N -3.47 4.19 0.14 0.00 2.12 -1.26 -0.32 118.70 120.10 2jhb s GLU 28 Ca 0.15 0.77 -0.00 0.00 0.36 0.00 0.00 54.97 56.25 2jhb s GLU 28 Cb 0.01 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2jhb s GLU 28 CO 0.11 0.45 0.05 0.96 -0.54 0.00 0.00 175.26 176.28 2jhb s ILE 29 N -1.45 0.20 0.02 -3.70 -4.36 0.00 -0.90 121.20 111.01 2jhb s ILE 29 Ca 0.40 -1.93 -0.01 0.00 -0.26 0.00 0.00 60.65 58.85 2jhb s ILE 29 Cb -0.17 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 2jhb s ILE 29 CO 0.21 -0.44 -0.00 -0.54 0.24 0.00 0.00 174.94 174.40 2jhb s LYS 30 N -4.03 0.32 0.59 0.37 1.02 -0.31 -1.22 119.74 116.47 2jhb s LYS 30 Ca 0.25 -0.53 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 2jhb s LYS 30 Cb 0.07 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 2jhb s LYS 30 CO 0.03 -0.06 1.09 -0.47 -0.92 0.00 0.00 175.35 175.02 2jhb s TYR 31 N -1.34 2.81 -0.38 3.18 6.14 0.16 0.04 117.35 127.96 2jhb s TYR 31 Ca -0.15 1.54 0.03 0.00 0.64 0.00 0.00 57.07 59.13 2jhb s TYR 31 Cb -0.09 -3.12 0.16 0.00 0.42 0.00 0.00 41.96 39.33 2jhb s TYR 31 CO -0.01 -1.35 0.36 0.95 0.64 0.00 0.00 175.55 176.15 2jhb s THR 32 N -2.22 -0.18 0.00 4.34 -4.23 -1.09 -4.74 115.64 107.53 2jhb s THR 32 Ca 0.67 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 2jhb s THR 32 Cb -0.19 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.85 2jhb s THR 32 CO 0.34 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 2jhb n GLY 33 N 3.92 1.98 0.26 3.99 0.00 -1.26 -4.34 105.19 109.74 2jhb n GLY 33 Ca 0.14 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.12 1.61 -5.15 -1.98 -0.47 116.94 110.82 2jhb h PHE 34 Ca 0.00 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.81 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 0.35 0.07 -2.00 0.00 0.00 178.31 176.73 2jhb h ARG 35 N 0.00 0.00 0.00 6.09 -0.00 -1.92 -2.22 114.38 116.32 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 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.29 2jhb h ARG 35 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 179.72 2jhb n ASP 36 N -3.17 0.00 -4.49 0.08 8.00 -0.19 -4.70 116.55 112.08 2jhb n ASP 36 Ca 0.01 -0.15 -0.29 0.00 0.71 0.00 0.00 54.79 55.07 2jhb n ASP 36 Cb 0.44 -0.13 0.23 0.00 -0.02 0.00 0.00 41.12 41.64 2jhb n ASP 36 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jhb n ARG 37 N -1.13 -1.94 -0.89 -1.24 5.12 -0.84 -5.04 116.66 110.71 2jhb n ARG 37 Ca 0.07 -0.53 -0.31 0.00 -1.93 0.00 0.00 57.85 55.15 2jhb n ARG 37 Cb 0.06 -2.16 0.14 0.00 -1.16 0.00 0.00 32.46 29.35 2jhb n ARG 37 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2jhb s PRO 38 N -4.34 1.35 0.60 5.56 0.04 -1.26 -4.97 135.00 131.97 2jhb s PRO 38 Ca 0.67 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 2jhb s PRO 38 Cb -0.24 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2jhb s PRO 38 CO 0.64 -2.34 1.08 -1.01 0.04 0.00 0.00 177.00 175.41 2jhb s HIS 39 N -2.74 2.83 0.00 0.56 3.76 -1.26 -4.23 115.29 114.21 2jhb s HIS 39 Ca 0.65 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 57.09 2jhb s HIS 39 Cb -0.21 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.38 2jhb s HIS 39 CO 0.58 -1.33 0.00 -1.91 -0.85 0.00 0.00 174.74 171.22 2jhb n GLU 40 N -1.97 0.00 0.02 1.40 2.13 -1.26 -4.88 120.64 116.08 2jhb n GLU 40 Ca 0.10 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.73 2jhb n GLU 40 Cb 0.52 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.09 2jhb n GLU 40 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2jhb h GLU 41 N 0.00 0.24 0.00 5.31 4.81 -2.00 -3.38 114.58 119.56 2jhb h GLU 41 Ca 0.00 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2jhb h GLU 41 Cb 0.00 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jhb h GLU 41 CO 0.00 1.08 -0.02 0.07 -0.73 0.00 0.00 179.01 179.41 2jhb h ARG 42 N 0.06 0.00 0.44 1.92 0.11 -1.90 -0.84 114.38 114.18 2jhb h ARG 42 Ca -0.35 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.71 2jhb h ARG 42 Cb 2.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.12 2jhb h ARG 42 CO 0.12 0.02 -0.21 1.96 0.10 0.00 0.00 179.97 181.96 2jhb h GLN 43 N 0.00 -0.57 -0.19 0.08 4.20 -1.91 0.15 115.11 116.87 2jhb h GLN 43 Ca -0.00 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2jhb h GLN 43 Cb 0.11 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2jhb h GLN 43 CO 0.00 -0.28 -0.07 1.15 -0.67 0.00 0.00 178.83 178.97 2jhb h THR 44 N -0.82 1.30 -0.85 -0.54 2.02 -1.59 -2.99 112.91 109.44 2jhb h THR 44 Ca -0.06 -1.08 0.12 0.00 0.77 0.00 0.00 66.41 66.16 2jhb h THR 44 Cb 0.56 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 2jhb h THR 44 CO 0.10 0.33 0.55 -0.09 0.37 0.00 0.00 175.52 176.78 2jhb h ARG 45 N 0.09 0.69 0.06 6.66 9.65 -1.23 -0.95 114.38 129.34 2jhb h ARG 45 Ca 0.05 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 2jhb h ARG 45 Cb 0.53 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 2jhb h ARG 45 CO 0.02 0.45 -0.21 0.35 2.80 0.00 0.00 179.97 183.38 2jhb h PHE 46 N 0.71 -0.57 0.00 2.20 3.57 -0.56 0.46 116.94 122.75 2jhb h PHE 46 Ca 0.41 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2jhb h PHE 46 Cb 0.60 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2jhb h PHE 46 CO -0.00 -0.30 0.00 1.96 -2.23 0.00 0.00 178.31 177.73 2jhb h GLN 47 N -0.37 0.00 0.18 1.11 4.20 -1.24 0.61 115.11 119.60 2jhb h GLN 47 Ca 0.04 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.43 2jhb h GLN 47 Cb 0.42 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.22 2jhb h GLN 47 CO -0.16 0.00 -1.49 -0.91 -0.67 0.00 0.00 178.83 175.60 2jhb h ASN 48 N 0.00 0.60 0.01 1.46 -0.26 0.25 -2.88 115.58 114.76 2jhb h ASN 48 Ca 0.00 -0.72 -0.16 0.00 -0.56 0.00 0.00 56.30 54.86 2jhb h ASN 48 Cb 0.38 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2jhb h ASN 48 CO 0.00 1.58 -0.53 0.00 -1.06 0.00 0.00 177.43 177.42 2jhb h ALA 49 N 0.33 0.72 0.00 -0.83 0.00 0.24 0.81 119.26 120.52 2jhb h ALA 49 Ca -0.24 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2jhb h ALA 49 Cb 2.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2jhb h ALA 49 CO 0.22 0.68 -0.07 0.00 0.00 0.00 0.00 179.25 180.08 2jhb n ARG 51 N -4.04 0.62 -0.33 0.00 0.63 -0.51 -3.78 116.66 109.24 2jhb n ARG 51 Ca -0.03 0.10 0.08 0.00 -0.92 0.00 0.00 57.85 57.08 2jhb n ARG 51 Cb 0.15 -1.78 0.27 0.00 0.45 0.00 0.00 32.46 31.55 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 0.86 0.00 6.15 3.58 -0.66 0.48 116.42 126.83 2jhb h ASP 52 Ca -0.05 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jhb h ASP 52 Cb 1.15 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2jhb h ASP 52 CO 0.01 0.47 0.00 0.61 -2.88 0.00 0.00 179.24 177.45 2jhb n GLY 53 N -1.37 0.30 3.49 -0.78 0.00 -1.24 -2.01 105.19 103.57 2jhb n GLY 53 Ca 0.18 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.28 0.00 1.61 -4.01 -1.26 -4.34 116.66 108.38 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 -1.99 0.00 0.00 -3.04 0.00 0.00 32.46 27.43 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 -2.00 0.00 -3.74 2.89 2.88 0.21 -4.86 113.62 109.00 2jhb n SER 55 Ca 0.08 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.44 2jhb n SER 55 Cb 0.53 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.82 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 1.00 0.12 0.02 -1.46 2.12 -1.26 -0.89 118.70 118.35 2jhb s GLU 56 Ca 0.00 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.56 2jhb s GLU 56 Cb 0.00 -0.52 -0.01 0.00 0.26 0.00 0.00 34.13 33.86 2jhb s GLU 56 CO 0.00 -0.25 -0.03 0.42 -0.54 0.00 0.00 175.26 174.87 2jhb s ILE 57 N 1.64 0.15 0.39 -3.70 1.01 -0.04 -2.65 121.20 118.00 2jhb s ILE 57 Ca -0.01 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.09 2jhb s ILE 57 Cb -0.13 -0.24 -0.06 0.00 0.01 0.00 0.00 42.46 42.04 2jhb s ILE 57 CO -0.03 -0.30 0.07 0.00 0.00 0.00 0.00 174.94 174.68 2jhb s ALA 58 N -0.94 3.33 0.54 9.38 0.00 0.11 -1.35 121.76 132.83 2jhb s ALA 58 Ca -0.09 -2.15 0.04 0.00 0.00 0.00 0.00 51.96 49.76 2jhb s ALA 58 Cb -0.07 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.92 2jhb s ALA 58 CO -0.00 -0.09 0.74 -0.06 0.00 0.00 0.00 175.76 176.35 2jhb s PHE 59 N -2.62 2.51 -0.23 0.00 0.40 -0.54 -1.16 117.98 116.34 2jhb s PHE 59 Ca 0.37 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.42 2jhb s PHE 59 Cb 0.05 -2.61 -0.13 0.00 0.51 0.00 0.00 43.02 40.84 2jhb s PHE 59 CO 0.20 -0.88 -0.24 0.28 0.70 0.00 0.00 175.22 175.29 2jhb n VAL 60 N -2.24 1.28 -0.09 -0.44 0.31 -0.08 -3.74 118.33 113.33 2jhb n VAL 60 Ca 0.10 -0.43 -0.07 0.00 -0.01 0.00 0.00 64.34 63.93 2jhb n VAL 60 Cb 0.60 -1.47 0.01 0.00 -0.91 0.00 0.00 33.84 32.06 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 -0.30 0.35 0.00 3.52 0.00 -1.89 -2.43 119.26 118.51 2jhb h ALA 61 Ca -0.53 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jhb h ALA 61 Cb 1.68 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2jhb h ALA 61 CO -0.18 -0.33 -1.16 2.41 0.00 0.00 0.00 179.25 179.99 2jhb n THR 62 N -5.07 0.00 -2.54 0.00 -1.04 -1.26 -5.04 114.28 99.34 2jhb n THR 62 Ca 0.00 -0.25 -0.06 0.00 -2.04 0.00 0.00 64.05 61.71 2jhb n THR 62 Cb 0.13 0.58 0.03 0.00 -1.82 0.00 0.00 70.33 69.25 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 1.51 0.26 3.33 3.41 0.00 -0.92 -4.99 105.19 107.79 2jhb n GLY 63 Ca -0.00 -0.32 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.11 5.22 -0.04 2.61 2.01 -1.25 -4.77 115.64 116.31 2jhb s THR 64 Ca 0.04 -1.66 -0.30 0.00 0.31 0.00 0.00 61.69 60.09 2jhb s THR 64 Cb -0.02 -4.42 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 2jhb s THR 64 CO 0.23 -0.98 1.72 0.21 -0.69 0.00 0.00 174.62 175.10 2jhb s ASN 65 N 3.24 6.62 0.12 3.53 2.47 -1.26 -1.47 114.94 128.19 2jhb s ASN 65 Ca 0.09 2.31 0.05 0.00 0.42 0.00 0.00 52.86 55.73 2jhb s ASN 65 Cb -0.23 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.00 2jhb s ASN 65 CO 0.00 -0.96 -0.12 -1.48 -3.72 0.00 0.00 177.10 170.82 2jhb s LEU 66 N 4.16 2.43 -0.41 3.21 -0.00 -0.45 -4.95 118.68 122.66 2jhb s LEU 66 Ca 0.76 -0.85 -0.26 0.00 -0.00 0.00 0.00 54.13 53.78 2jhb s LEU 66 Cb -0.35 -0.42 0.02 0.00 -0.00 0.00 0.00 46.19 45.44 2jhb s LEU 66 CO 0.32 -0.23 0.94 -0.44 -0.00 0.00 0.00 176.35 176.94 2jhb s SER 67 N -2.60 6.61 0.48 1.48 0.01 -1.26 -0.86 113.70 117.56 2jhb s SER 67 Ca 0.09 0.40 -0.20 0.00 1.31 0.00 0.00 55.95 57.55 2jhb s SER 67 Cb -0.03 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.65 2jhb s SER 67 CO 0.01 -0.95 1.03 -0.76 0.41 0.00 0.00 173.24 172.98 2jhb s LEU 68 N 3.64 3.85 -0.45 2.44 1.43 -0.07 -4.92 118.68 124.61 2jhb s LEU 68 Ca 0.38 1.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.41 2jhb s LEU 68 Cb -0.11 -4.56 0.15 0.00 0.03 0.00 0.00 46.19 41.70 2jhb s LEU 68 CO 0.22 -0.74 0.30 -1.10 0.23 0.00 0.00 176.35 175.27 2jhb s GLN 69 N -3.24 1.20 -1.38 1.70 -0.21 -1.26 -0.62 119.66 115.85 2jhb s GLN 69 Ca 0.67 -2.09 -0.14 0.00 0.02 0.00 0.00 55.36 53.82 2jhb s GLN 69 Cb -0.15 -2.02 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 2jhb s GLN 69 CO 0.19 -1.25 2.34 1.19 -2.12 0.00 0.00 175.29 175.64 2jhb n PHE 70 N 3.22 2.96 -3.77 0.91 3.01 -1.26 -4.25 117.46 118.28 2jhb n PHE 70 Ca 0.17 -2.80 -0.30 0.00 1.01 0.00 0.00 57.45 55.53 2jhb n PHE 70 Cb 0.39 -2.39 -0.14 0.00 -0.01 0.00 0.00 39.48 37.33 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2jhb s PHE 71 N 3.23 2.13 0.68 1.38 0.40 -1.26 -4.36 117.98 120.18 2jhb s PHE 71 Ca 0.53 -2.16 -0.11 0.00 -0.60 0.00 0.00 56.93 54.58 2jhb s PHE 71 Cb 0.15 -1.97 0.16 0.00 0.51 0.00 0.00 43.02 41.87 2jhb s PHE 71 CO -0.05 -0.86 0.69 -0.35 0.70 0.00 0.00 175.22 175.34 2jhb n PRO 72 N 4.34 -1.80 0.16 0.24 -0.04 -1.26 -4.75 135.00 131.89 2jhb n PRO 72 Ca 0.02 -1.08 0.06 0.00 -0.04 0.00 0.00 63.50 62.46 2jhb n PRO 72 Cb 0.40 -0.91 0.55 0.00 -0.04 0.00 0.00 33.50 33.49 2jhb n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jhb h ALA 73 N -2.26 1.87 -1.70 0.55 0.00 -2.00 -2.97 119.26 112.76 2jhb h ALA 73 Ca -0.25 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.04 2jhb h ALA 73 Cb 0.72 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.33 2jhb h ALA 73 CO 0.16 0.11 0.65 0.45 0.00 0.00 0.00 179.25 180.63 2jhb s SER 74 N -6.92 6.28 0.51 0.00 0.15 -1.26 -5.04 113.70 107.42 2jhb s SER 74 Ca -0.06 -0.50 -0.20 0.00 0.70 0.00 0.00 55.95 55.88 2jhb s SER 74 Cb 0.17 -2.46 -0.07 0.00 -1.71 0.00 0.00 66.02 61.96 2jhb s SER 74 CO 0.69 -1.38 1.13 0.26 1.20 0.00 0.00 173.24 175.15 2jhb s TRP 75 N 4.27 2.76 0.10 3.44 0.52 -1.12 -4.94 118.94 123.96 2jhb s TRP 75 Ca 0.30 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.96 2jhb s TRP 75 Cb -0.13 -3.29 0.00 0.00 -1.15 0.00 0.00 33.47 28.90 2jhb s TRP 75 CO 0.17 -1.48 0.00 1.04 0.02 0.00 0.00 176.95 176.70 2jhb n GLN 76 N -1.04 0.00 0.00 4.98 3.00 -1.26 -5.02 117.38 118.04 2jhb n GLN 76 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2jhb n GLN 76 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 30.24 30.67 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 2.24 1.58 2.44 1.08 0.00 -1.26 -4.86 105.19 106.41 2jhb n GLY 77 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2jhb n GLY 77 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jhb n GLU 78 N -1.11 3.96 -3.62 1.61 0.28 -1.26 -4.68 120.64 115.82 2jhb n GLU 78 Ca 0.00 -2.77 -0.25 0.00 -0.16 0.00 0.00 57.16 53.98 2jhb n GLU 78 Cb 0.00 -2.79 0.02 0.00 1.43 0.00 0.00 31.44 30.11 2jhb n GLU 78 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2jhb n GLN 79 N 3.13 -1.25 -1.65 3.44 7.27 -0.85 -4.63 117.38 122.84 2jhb n GLN 79 Ca 0.68 0.70 0.00 0.00 0.07 0.00 0.00 57.00 58.45 2jhb n GLN 79 Cb 0.26 -3.89 0.00 0.00 2.41 0.00 0.00 30.24 29.02 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 -3.42 -3.17 0.00 3.69 0.63 0.16 -4.77 116.66 109.77 2jhb n ARG 80 Ca -0.13 2.32 0.00 0.00 -0.92 0.00 0.00 57.85 59.12 2jhb n ARG 80 Cb 0.60 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.73 2jhb n ARG 80 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2jhb n GLN 81 N 0.01 0.00 -3.56 -0.14 6.02 -1.26 -5.04 117.38 113.42 2jhb n GLN 81 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 2jhb n GLN 81 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 2jhb n GLN 81 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2jhb n THR 82 N 0.00 -0.11 -1.25 5.09 -1.04 -1.26 -5.10 114.28 110.62 2jhb n THR 82 Ca 0.00 -4.00 0.00 0.00 -2.04 0.00 0.00 64.05 58.01 2jhb n THR 82 Cb 0.00 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 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 2.40 1.22 -1.73 -2.82 -0.04 -1.26 -5.11 135.00 127.66 2jhb n PRO 83 Ca 0.26 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.44 2jhb n PRO 83 Cb 0.44 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.10 2jhb n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jhb n SER 84 N -1.29 -0.18 0.17 3.54 7.64 -1.26 -4.92 113.62 117.32 2jhb n SER 84 Ca 0.00 -1.42 -0.07 0.00 1.01 0.00 0.00 58.87 58.39 2jhb n SER 84 Cb 0.00 -0.98 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 2jhb n SER 84 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jhb h ARG 85 N 0.00 -0.43 -0.01 1.43 -0.00 -1.88 -3.25 114.38 110.24 2jhb h ARG 85 Ca -0.41 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 2jhb h ARG 85 Cb 1.15 0.10 -0.00 0.00 0.00 0.00 0.00 29.97 31.22 2jhb h ARG 85 CO 0.29 -0.29 0.02 1.49 0.00 0.00 0.00 179.97 181.48 2jhb h GLU 86 N -0.54 0.00 0.00 0.04 4.81 -1.94 -2.88 114.58 114.07 2jhb h GLU 86 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jhb h GLU 86 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2jhb h GLU 86 CO 0.07 0.00 0.00 0.98 -0.73 0.00 0.00 179.01 179.33 2jhb n TYR 87 N -3.92 0.00 -3.75 0.92 4.19 -1.25 -2.04 117.16 111.31 2jhb n TYR 87 Ca -0.03 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.06 2jhb n TYR 87 Cb 0.10 -0.44 -0.13 0.00 0.49 0.00 0.00 39.34 39.37 2jhb n TYR 87 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jhb s VAL 88 N -2.30 -0.03 -0.19 2.97 1.01 -1.09 -2.84 120.40 117.92 2jhb s VAL 88 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 2jhb s VAL 88 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2jhb s VAL 88 CO 0.00 0.04 0.06 -0.67 0.00 0.00 0.00 175.10 174.54 2jhb n ASP 89 N 3.85 -4.42 -1.68 3.32 2.03 -1.25 -4.66 116.55 113.75 2jhb n ASP 89 Ca -0.22 1.02 -0.11 0.00 0.52 0.00 0.00 54.79 56.01 2jhb n ASP 89 Cb 0.55 -4.14 0.08 0.00 -0.72 0.00 0.00 41.12 36.88 2jhb n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jhb n LEU 90 N 0.76 3.68 0.00 -2.67 -0.00 -1.26 -4.83 117.00 112.68 2jhb n LEU 90 Ca -0.11 -4.15 0.00 0.00 -0.00 0.00 0.00 56.01 51.75 2jhb n LEU 90 Cb 0.17 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 2jhb n LEU 90 CO 0.31 1.69 0.00 1.21 -0.00 0.00 0.00 177.39 180.60 2jhb n GLU 91 N -0.74 0.00 0.00 1.47 2.13 -1.26 -4.51 120.64 117.73 2jhb n GLU 91 Ca 0.30 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2jhb n GLU 91 Cb 0.88 -2.90 0.00 0.00 0.27 0.00 0.00 31.44 29.69 2jhb n GLU 91 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jhb n ARG 92 N -1.59 0.00 -1.79 5.31 0.63 -1.26 -5.15 116.66 112.81 2jhb n ARG 92 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 2jhb n ARG 92 Cb 0.00 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.04 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2jhb n GLU 93 N 1.32 -0.48 -1.35 -0.14 4.07 -0.40 -4.90 120.64 118.76 2jhb n GLU 93 Ca 0.00 -1.85 -0.22 0.00 -0.06 0.00 0.00 57.16 55.04 2jhb n GLU 93 Cb 0.00 -0.79 -0.12 0.00 -0.06 0.00 0.00 31.44 30.47 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jhb n ALA 94 N -3.30 0.41 -1.36 4.31 0.00 -1.26 -2.59 120.51 116.72 2jhb n ALA 94 Ca -0.15 -2.37 -0.13 0.00 0.00 0.00 0.00 53.44 50.79 2jhb n ALA 94 Cb 0.45 -3.45 -0.05 0.00 0.00 0.00 0.00 19.45 16.40 2jhb n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jhb n GLY 95 N 5.86 1.22 2.10 0.00 0.00 -1.26 -4.95 105.19 108.16 2jhb n GLY 95 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 2jhb n GLY 95 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jhb n LYS 96 N -1.11 0.36 -4.09 1.61 2.85 -1.07 -0.81 118.16 115.90 2jhb n LYS 96 Ca -0.13 -2.17 -0.08 0.00 -1.05 0.00 0.00 58.31 54.88 2jhb n LYS 96 Cb 0.60 1.64 -0.10 0.00 -0.65 0.00 0.00 35.03 36.53 2jhb n LYS 96 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2jhb s VAL 97 N -2.80 0.16 -0.01 0.58 0.11 -0.24 -1.28 120.40 116.93 2jhb s VAL 97 Ca 0.23 -1.80 0.05 0.00 -2.93 0.00 0.00 61.98 57.53 2jhb s VAL 97 Cb 0.01 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 2jhb s VAL 97 CO 0.16 -0.74 -0.14 -0.31 -3.33 0.00 0.00 175.10 170.74 2jhb s TYR 98 N -3.97 2.68 0.03 1.54 1.51 -1.26 -1.15 117.35 116.73 2jhb s TYR 98 Ca 0.14 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 2jhb s TYR 98 Cb 0.07 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 2jhb s TYR 98 CO -0.05 0.24 0.02 -0.51 -1.11 0.00 0.00 175.55 174.14 2jhb s LEU 99 N -1.13 2.09 -0.30 -1.29 1.43 0.09 -4.60 118.68 114.97 2jhb s LEU 99 Ca 0.14 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 2jhb s LEU 99 Cb -0.11 0.30 0.18 0.00 0.03 0.00 0.00 46.19 46.60 2jhb s LEU 99 CO 0.04 -0.40 0.94 -0.75 0.23 0.00 0.00 176.35 176.41 2jhb s LYS 100 N -2.06 0.26 -0.25 1.70 2.36 -0.87 -1.08 119.74 119.81 2jhb s LYS 100 Ca -0.10 0.34 -0.03 0.00 -2.55 0.00 0.00 55.97 53.63 2jhb s LYS 100 Cb -0.05 0.17 0.08 0.00 -1.05 0.00 0.00 37.83 36.98 2jhb s LYS 100 CO -0.03 -0.39 0.09 0.00 1.55 0.00 0.00 175.35 176.57 2jhb s ALA 101 N 2.93 0.84 0.17 3.13 0.00 0.43 -4.38 121.76 124.88 2jhb s ALA 101 Ca 0.15 -0.95 -0.32 0.00 0.00 0.00 0.00 51.96 50.84 2jhb s ALA 101 Cb -0.07 -1.31 -0.11 0.00 0.00 0.00 0.00 23.12 21.63 2jhb s ALA 101 CO -0.19 -1.44 1.65 -1.25 0.00 0.00 0.00 175.76 174.53 2jhb s PRO 102 N 1.96 4.17 0.19 0.00 0.04 -1.26 -1.36 135.00 138.75 2jhb s PRO 102 Ca 0.05 2.47 0.06 0.00 0.04 0.00 0.00 61.00 63.63 2jhb s PRO 102 Cb -0.16 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2jhb s PRO 102 CO -0.22 -0.69 0.09 -1.64 0.04 0.00 0.00 177.00 174.58 2jhb s MET 103 N 1.37 2.69 -0.53 4.56 1.00 -0.48 -4.72 119.30 123.19 2jhb s MET 103 Ca 0.73 -1.02 0.05 0.00 0.00 0.00 0.00 55.69 55.45 2jhb s MET 103 Cb -0.46 -2.50 0.18 0.00 0.00 0.00 0.00 34.83 32.05 2jhb s MET 103 CO 0.32 0.45 0.44 -0.89 0.00 0.00 0.00 175.02 175.34 2jhb n ILE 104 N -0.44 0.05 0.00 2.53 5.41 -1.26 -1.92 119.36 123.73 2jhb n ILE 104 Ca -0.09 -4.09 0.00 0.00 1.00 0.00 0.00 62.75 59.57 2jhb n ILE 104 Cb 0.56 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 2jhb n ILE 104 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jhb n LEU 105 N 2.27 1.21 0.16 1.39 7.99 -1.23 -4.45 117.00 124.35 2jhb n LEU 105 Ca 0.26 0.11 0.13 0.00 -0.01 0.00 0.00 56.01 56.49 2jhb n LEU 105 Cb 0.44 0.00 0.34 0.00 -0.11 0.00 0.00 43.42 44.08 2jhb n LEU 105 CO 0.18 0.00 0.86 -1.13 -1.51 0.00 0.00 177.39 175.79 2jhb h ASN 106 N 0.00 0.00 0.00 -1.43 -0.73 -1.95 -3.45 115.58 108.02 2jhb h ASN 106 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2jhb h ASN 106 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2jhb h ASN 106 CO 0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 2jhb n GLY 107 N 1.10 1.79 3.06 1.57 0.00 -1.26 -4.62 105.19 106.84 2jhb n GLY 107 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 1.85 -1.05 1.61 1.01 -1.26 -0.35 120.40 120.21 2jhb s VAL 108 Ca 0.00 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 2jhb s VAL 108 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2jhb s VAL 108 CO 0.00 0.41 1.78 0.00 0.00 0.00 0.00 175.10 177.29 2jhb s VAL 110 N 8.02 2.32 -0.20 0.00 -7.23 -0.81 -0.87 120.40 121.63 2jhb s VAL 110 Ca 0.61 -0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 60.55 2jhb s VAL 110 Cb -0.02 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2jhb s VAL 110 CO 0.01 -0.04 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.12 2jhb s ILE 111 N -3.31 3.88 0.04 -0.62 1.01 0.44 -1.38 121.20 121.26 2jhb s ILE 111 Ca 0.60 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 2jhb s ILE 111 Cb -0.11 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 2jhb s ILE 111 CO 0.46 0.43 0.74 0.86 0.00 0.00 0.00 174.94 177.43 2jhb s TRP 112 N 1.02 3.73 0.22 3.97 -0.00 -0.46 -0.08 118.94 127.34 2jhb s TRP 112 Ca 0.02 1.43 0.04 0.00 -0.00 0.00 0.00 56.10 57.59 2jhb s TRP 112 Cb -0.14 -2.79 -0.05 0.00 -0.00 0.00 0.00 33.47 30.49 2jhb s TRP 112 CO 0.01 0.29 -0.01 -1.59 -0.00 0.00 0.00 176.95 175.66 2jhb s LYS 113 N -0.11 1.31 0.00 5.86 -2.85 -0.00 -0.43 119.74 123.52 2jhb s LYS 113 Ca 0.37 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 2jhb s LYS 113 Cb -0.20 -0.60 0.00 0.00 -2.06 0.00 0.00 37.83 34.96 2jhb s LYS 113 CO 0.22 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.99 2jhb n GLY 114 N -0.40 -0.83 3.33 0.59 0.00 -0.24 -0.94 105.19 106.70 2jhb n GLY 114 Ca -0.05 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.00 2.65 -0.35 1.61 -2.14 0.86 -0.74 118.94 118.84 2jhb s TRP 115 Ca 0.00 -0.69 -0.09 0.00 2.66 0.00 0.00 56.10 57.98 2jhb s TRP 115 Cb 0.00 -1.73 0.03 0.00 -3.10 0.00 0.00 33.47 28.67 2jhb s TRP 115 CO 0.00 -0.20 0.16 0.42 -2.66 0.00 0.00 176.95 174.67 2jhb s ILE 116 N 0.08 4.31 0.37 0.66 -1.09 -0.30 -0.90 121.20 124.32 2jhb s ILE 116 Ca -0.08 -0.89 -0.27 0.00 -2.23 0.00 0.00 60.65 57.18 2jhb s ILE 116 Cb -0.15 -3.38 -0.10 0.00 -1.58 0.00 0.00 42.46 37.25 2jhb s ILE 116 CO 0.05 -0.17 1.35 -0.62 -1.23 0.00 0.00 174.94 174.32 2jhb s ASP 117 N 1.51 6.48 0.00 3.58 2.15 -0.62 -1.08 116.67 128.69 2jhb s ASP 117 Ca 0.01 2.76 0.20 0.00 0.43 0.00 0.00 52.55 55.96 2jhb s ASP 117 Cb -0.19 -2.65 1.17 0.00 -0.30 0.00 0.00 42.92 40.95 2jhb s ASP 117 CO 0.05 -0.74 1.61 0.18 -0.17 0.00 0.00 175.17 176.10 2jhb n LEU 118 N 0.45 0.00 0.10 -1.34 4.77 0.01 -1.95 117.00 119.04 2jhb n LEU 118 Ca 0.02 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2jhb n LEU 118 Cb 0.42 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 2jhb n LEU 118 CO 0.59 -0.02 0.74 1.12 -1.33 0.00 0.00 177.39 178.48 2jhb h HIS 119 N 0.00 -0.19 0.00 -1.77 2.07 -1.86 -3.34 115.15 110.06 2jhb h HIS 119 Ca 0.00 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2jhb h HIS 119 Cb 0.04 0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.08 2jhb h HIS 119 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 177.93 175.41 2jhb n ARG 120 N -5.11 -0.32 -2.77 5.12 5.12 -1.26 -4.99 116.66 112.45 2jhb n ARG 120 Ca -0.09 -0.26 -0.06 0.00 -1.93 0.00 0.00 57.85 55.51 2jhb n ARG 120 Cb 0.16 -0.72 0.02 0.00 -1.16 0.00 0.00 32.46 30.76 2jhb n ARG 120 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jhb n LEU 121 N -0.01 -2.35 -4.68 0.55 7.99 -0.82 -4.90 117.00 112.77 2jhb n LEU 121 Ca 0.00 -0.13 -0.26 0.00 -0.01 0.00 0.00 56.01 55.61 2jhb n LEU 121 Cb 0.16 -1.13 -0.09 0.00 -0.11 0.00 0.00 43.42 42.25 2jhb n LEU 121 CO 0.00 0.16 -0.23 -1.81 -1.51 0.00 0.00 177.39 174.00 2jhb s ASP 122 N -3.08 4.22 0.00 -1.43 1.01 -1.21 -0.67 116.67 115.51 2jhb s ASP 122 Ca 0.14 -1.13 0.00 0.00 0.71 0.00 0.00 52.55 52.27 2jhb s ASP 122 Cb -0.06 -0.47 0.00 0.00 1.01 0.00 0.00 42.92 43.39 2jhb s ASP 122 CO 0.18 -0.44 0.00 0.61 0.21 0.00 0.00 175.17 175.73 2jhb n GLY 123 N -1.10 -0.70 3.18 0.21 0.00 -0.36 -1.59 105.19 104.84 2jhb n GLY 123 Ca -0.03 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2jhb n GLY 123 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jhb s MET 124 N -1.12 1.05 0.00 1.61 -1.94 -0.08 -0.82 119.30 118.00 2jhb s MET 124 Ca 0.00 -0.85 -0.28 0.00 -1.71 0.00 0.00 55.69 52.85 2jhb s MET 124 Cb 0.00 -1.11 0.09 0.00 2.01 0.00 0.00 34.83 35.83 2jhb s MET 124 CO 0.00 0.27 1.26 0.20 -0.01 0.00 0.00 175.02 176.75 2jhb s GLY 125 N -1.26 -0.10 -0.02 -0.03 0.00 0.56 -0.10 107.32 106.38 2jhb s GLY 125 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.63 2jhb s GLY 125 CO 0.02 5.38 0.53 0.00 0.00 0.00 0.00 173.10 179.03 2jhb s LEU 127 N 0.00 3.86 0.33 0.00 1.43 -0.61 -0.82 118.68 122.87 2jhb s LEU 127 Ca 0.12 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2jhb s LEU 127 Cb -0.00 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 2jhb s LEU 127 CO -0.00 -0.08 0.23 -0.70 0.23 0.00 0.00 176.35 176.02 2jhb s GLU 128 N -3.88 1.72 0.16 1.70 2.56 0.88 -4.65 118.70 117.19 2jhb s GLU 128 Ca 0.34 -2.00 -0.06 0.00 0.00 0.00 0.00 54.97 53.24 2jhb s GLU 128 Cb -0.08 0.11 -0.06 0.00 2.00 0.00 0.00 34.13 36.10 2jhb s GLU 128 CO 0.26 -0.58 0.43 0.12 -0.56 0.00 0.00 175.26 174.93 2jhb s PHE 129 N -3.49 3.47 -0.84 5.30 5.36 -1.26 -0.42 117.98 126.09 2jhb s PHE 129 Ca 0.37 0.66 -0.07 0.00 -0.96 0.00 0.00 56.93 56.93 2jhb s PHE 129 Cb 0.03 -2.09 0.21 0.00 -0.34 0.00 0.00 43.02 40.84 2jhb s PHE 129 CO 0.23 0.39 0.74 0.34 -1.46 0.00 0.00 175.22 175.46 2jhb s ASP 130 N -2.37 6.23 0.55 6.13 -1.08 -0.05 -4.42 116.67 121.67 2jhb s ASP 130 Ca 0.42 -3.17 0.36 0.00 -0.52 0.00 0.00 52.55 49.64 2jhb s ASP 130 Cb -0.12 -2.03 1.79 0.00 -1.46 0.00 0.00 42.92 41.10 2jhb s ASP 130 CO 0.23 -0.36 2.09 -0.08 0.52 0.00 0.00 175.17 177.57 2jhb h GLU 131 N 6.90 0.00 0.01 4.34 4.81 -1.97 0.57 114.58 129.24 2jhb h GLU 131 Ca 0.10 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.08 2jhb h GLU 131 Cb 0.93 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 2jhb h GLU 131 CO 0.81 0.00 -1.36 -1.91 -0.73 0.00 0.00 179.01 175.82 2jhb n GLU 132 N -2.90 0.58 -0.19 1.92 2.13 -1.26 -3.73 120.64 117.19 2jhb n GLU 132 Ca -0.01 0.55 -0.01 0.00 0.66 0.00 0.00 57.16 58.35 2jhb n GLU 132 Cb 0.16 -1.73 0.22 0.00 0.27 0.00 0.00 31.44 30.35 2jhb n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jhb h ARG 133 N -0.94 0.94 -0.66 5.31 -0.00 -1.81 0.61 114.38 117.83 2jhb h ARG 133 Ca -0.37 -0.11 0.02 0.00 -0.50 0.00 0.00 59.98 59.02 2jhb h ARG 133 Cb 1.36 -0.19 -0.04 0.00 0.00 0.00 0.00 29.97 31.11 2jhb h ARG 133 CO -0.20 0.70 0.42 0.00 0.00 0.00 0.00 179.97 180.89 2jhb h ALA 134 N 1.45 0.85 -0.62 0.04 0.00 -1.07 0.30 119.26 120.20 2jhb h ALA 134 Ca 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2jhb h ALA 134 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2jhb h ALA 134 CO -0.04 0.21 0.19 1.96 0.00 0.00 0.00 179.25 181.58 2jhb h GLN 135 N 0.84 0.96 -0.50 0.00 4.20 -1.46 -1.44 115.11 117.70 2jhb h GLN 135 Ca 0.25 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 2jhb h GLN 135 Cb -0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2jhb h GLN 135 CO -0.08 0.85 -0.18 0.37 -0.67 0.00 0.00 178.83 179.12 2jhb h GLN 136 N 0.88 1.00 -0.07 1.46 4.15 -0.04 -1.37 115.11 121.12 2jhb h GLN 136 Ca 0.20 -0.41 -0.17 0.00 0.77 0.00 0.00 58.65 59.04 2jhb h GLN 136 Cb 0.29 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2jhb h GLN 136 CO -0.01 1.09 -0.70 1.49 -1.93 0.00 0.00 178.83 178.77 2jhb h GLU 137 N 0.87 0.35 -0.61 1.69 4.57 -0.39 0.52 114.58 121.59 2jhb h GLU 137 Ca 0.12 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 2jhb h GLU 137 Cb 0.75 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 2jhb h GLU 137 CO 0.06 0.92 0.26 -0.44 -1.18 0.00 0.00 179.01 178.63 2jhb h ASP 138 N 0.24 0.80 -0.01 1.04 3.32 -1.09 -1.14 116.42 119.58 2jhb h ASP 138 Ca -0.02 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2jhb h ASP 138 Cb 1.26 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 2jhb h ASP 138 CO 0.12 0.70 -0.01 0.00 -1.72 0.00 0.00 179.24 178.34 2jhb h ALA 139 N 1.42 0.02 0.00 3.45 0.00 -0.85 -3.25 119.26 120.05 2jhb h ALA 139 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jhb h ALA 139 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jhb h ALA 139 CO -0.02 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.24 2jhb n LEU 140 N -4.87 0.00 -0.99 0.00 4.77 0.14 -1.15 117.00 114.90 2jhb n LEU 140 Ca -0.08 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2jhb n LEU 140 Cb 0.22 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2jhb n LEU 140 CO 0.34 -0.30 0.25 0.00 -1.33 0.00 0.00 177.39 176.34 2jhb n ALA 141 N -1.42 2.00 -3.98 -1.18 0.00 -0.46 -4.73 120.51 110.73 2jhb n ALA 141 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 2jhb n ALA 141 Cb 0.09 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.55 2jhb n ALA 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jhb n GLN 142 N 0.73 -0.83 0.00 0.00 3.00 -1.16 -4.72 117.38 114.40 2jhb n GLN 142 Ca 0.00 0.21 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 2jhb n GLN 142 Cb 0.25 -3.24 0.16 0.00 0.00 0.00 0.00 30.24 27.40 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00