#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 -4.38 -3.81 1.61 2.88 -1.26 -4.94 113.62 103.72 2jhb n SER 2 Ca 0.00 -0.55 -0.28 0.00 -1.33 0.00 0.00 58.87 56.71 2jhb n SER 2 Cb 0.00 -3.56 -0.12 0.00 -0.75 0.00 0.00 64.21 59.78 2jhb n SER 2 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2jhb s MET 3 N -6.24 2.06 0.32 -1.46 1.00 -1.26 -5.10 119.30 108.61 2jhb s MET 3 Ca 0.50 -2.95 -0.26 0.00 0.00 0.00 0.00 55.69 52.98 2jhb s MET 3 Cb -0.26 -3.00 -0.10 0.00 0.00 0.00 0.00 34.83 31.48 2jhb s MET 3 CO 0.62 -1.27 0.95 -1.25 0.00 0.00 0.00 175.02 174.07 2jhb s PRO 4 N -0.92 4.59 0.00 2.03 0.04 -1.26 -4.88 135.00 134.60 2jhb s PRO 4 Ca 0.24 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2jhb s PRO 4 Cb -0.08 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2jhb s PRO 4 CO -0.14 0.29 0.00 0.54 0.04 0.00 0.00 177.00 177.73 2jhb n ARG 5 N 0.61 1.10 -3.99 4.56 5.12 -1.26 -5.03 116.66 117.77 2jhb n ARG 5 Ca 0.02 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.84 2jhb n ARG 5 Cb 0.50 -0.25 -0.06 0.00 -1.16 0.00 0.00 32.46 31.48 2jhb n ARG 5 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jhb s VAL 6 N -0.64 0.02 0.40 1.55 -7.23 -1.26 -4.29 120.40 108.94 2jhb s VAL 6 Ca 0.00 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 2jhb s VAL 6 Cb 0.00 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.78 2jhb s VAL 6 CO 0.00 -0.09 0.02 0.68 -0.31 0.00 0.00 175.10 175.40 2jhb s VAL 7 N -4.01 1.75 -0.02 1.32 -7.23 -1.24 -4.81 120.40 106.16 2jhb s VAL 7 Ca 0.22 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 2jhb s VAL 7 Cb 0.01 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2jhb s VAL 7 CO 0.06 0.00 0.50 1.55 -0.31 0.00 0.00 175.10 176.89 2jhb h PRO 8 N 1.82 -0.27 -2.60 4.82 0.13 -1.98 -3.35 132.00 130.58 2jhb h PRO 8 Ca -0.43 0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.25 2jhb h PRO 8 Cb 1.25 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2jhb h PRO 8 CO 0.78 -0.18 2.10 -0.25 -0.23 0.00 0.00 178.00 180.22 2jhb n ASP 9 N -3.65 7.22 0.05 1.44 9.92 -1.26 -4.59 116.55 125.67 2jhb n ASP 9 Ca -0.03 -2.52 -0.11 0.00 -0.53 0.00 0.00 54.79 51.60 2jhb n ASP 9 Cb 0.11 -1.48 -0.04 0.00 -0.64 0.00 0.00 41.12 39.06 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2jhb h GLN 10 N 4.22 -0.33 -0.25 -1.24 4.20 -1.89 -0.45 115.11 119.37 2jhb h GLN 10 Ca 0.59 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 59.21 2jhb h GLN 10 Cb 0.78 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2jhb h GLN 10 CO 1.14 -0.22 -0.32 -0.09 -0.67 0.00 0.00 178.83 178.67 2jhb h ARG 11 N -0.35 0.52 -0.14 1.46 9.65 -1.94 -1.40 114.38 122.18 2jhb h ARG 11 Ca 0.07 -0.23 -0.09 0.00 -1.10 0.00 0.00 59.98 58.63 2jhb h ARG 11 Cb 0.44 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 2jhb h ARG 11 CO -0.23 0.78 -0.32 1.03 2.80 0.00 0.00 179.97 184.03 2jhb h SER 12 N 0.45 0.28 0.43 -3.80 0.87 -1.88 -0.88 113.55 109.03 2jhb h SER 12 Ca 0.05 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2jhb h SER 12 Cb 0.78 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2jhb h SER 12 CO 0.06 0.60 0.00 1.17 -0.53 0.00 0.00 176.83 178.13 2jhb n LYS 13 N -4.09 0.16 0.00 2.24 4.81 -0.19 0.31 118.16 121.39 2jhb n LYS 13 Ca -0.01 0.15 0.07 0.00 -0.87 0.00 0.00 58.31 57.64 2jhb n LYS 13 Cb 0.42 -1.50 0.36 0.00 0.02 0.00 0.00 35.03 34.33 2jhb n LYS 13 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2jhb n PHE 14 N -1.36 0.00 0.00 5.64 7.35 -0.33 -1.76 117.46 126.99 2jhb n PHE 14 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2jhb n PHE 14 Cb 0.17 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 39.80 2jhb n PHE 14 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2jhb n GLU 15 N -1.19 0.00 0.00 -4.13 1.02 -0.01 -4.78 120.64 111.55 2jhb n GLU 15 Ca 0.08 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.26 2jhb n GLU 15 Cb 0.09 -0.50 0.21 0.00 -0.02 0.00 0.00 31.44 31.21 2jhb n GLU 15 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jhb n ASN 16 N -2.46 0.00 -4.52 1.62 3.02 0.15 -4.76 115.26 108.31 2jhb n ASN 16 Ca 0.00 0.02 -0.57 0.00 -0.03 0.00 0.00 54.58 54.00 2jhb n ASN 16 Cb 0.28 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.20 2jhb n ASN 16 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2jhb n GLU 17 N -1.18 0.28 -0.03 3.52 0.28 -0.72 -4.88 120.64 117.91 2jhb n GLU 17 Ca 0.04 0.10 -0.01 0.00 -0.16 0.00 0.00 57.16 57.13 2jhb n GLU 17 Cb 0.05 -1.63 -0.08 0.00 1.43 0.00 0.00 31.44 31.21 2jhb n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2jhb n GLU 18 N 1.74 1.69 0.15 3.44 2.13 -1.26 -4.53 120.64 124.00 2jhb n GLU 18 Ca 0.20 -0.04 -0.07 0.00 0.66 0.00 0.00 57.16 57.91 2jhb n GLU 18 Cb 0.11 -1.25 -0.03 0.00 0.27 0.00 0.00 31.44 30.54 2jhb n GLU 18 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2jhb h PHE 19 N 0.00 -0.41 0.00 4.31 3.04 -1.97 -3.35 116.94 118.56 2jhb h PHE 19 Ca -0.17 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.77 2jhb h PHE 19 Cb 1.21 0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.86 2jhb h PHE 19 CO 0.00 -0.25 0.00 0.74 -2.02 0.00 0.00 178.31 176.78 2jhb h PHE 20 N -0.87 0.00 -0.04 0.41 0.04 -1.94 -2.19 116.94 112.35 2jhb h PHE 20 Ca -0.04 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.74 2jhb h PHE 20 Cb 0.34 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 2jhb h PHE 20 CO 0.02 0.00 0.05 0.00 -0.60 0.00 0.00 178.31 177.78 2jhb h ARG 21 N 0.00 0.00 -0.26 1.51 2.47 -1.80 0.28 114.38 116.58 2jhb h ARG 21 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jhb h ARG 21 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2jhb h ARG 21 CO 0.00 0.00 0.17 0.87 0.56 0.00 0.00 179.97 181.57 2jhb h LYS 22 N 0.00 0.35 0.03 0.04 1.57 -1.61 -3.22 116.57 113.73 2jhb h LYS 22 Ca 0.02 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2jhb h LYS 22 Cb 0.12 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.37 2jhb h LYS 22 CO -0.00 0.25 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.40 2jhb h LEU 23 N 0.35 0.53 0.00 2.94 3.38 -1.13 -3.24 115.31 118.13 2jhb h LEU 23 Ca 0.10 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2jhb h LEU 23 Cb -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2jhb h LEU 23 CO -0.02 1.26 0.00 -1.54 0.09 0.00 0.00 178.44 178.23 2jhb n SER 24 N -4.19 -2.42 -2.94 -0.43 3.41 0.76 -4.70 113.62 103.12 2jhb n SER 24 Ca -0.11 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.36 2jhb n SER 24 Cb 0.71 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.76 2jhb n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jhb n ARG 25 N -0.52 -1.05 -1.03 4.33 1.74 -1.26 -1.98 116.66 116.90 2jhb n ARG 25 Ca 0.00 -0.94 -0.30 0.00 -0.77 0.00 0.00 57.85 55.84 2jhb n ARG 25 Cb 0.00 -0.69 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 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 -2.57 0.00 -4.60 5.56 0.28 -1.26 -4.74 120.64 113.31 2jhb n GLU 26 Ca 0.08 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.80 2jhb n GLU 26 Cb 0.28 -1.05 -0.09 0.00 1.43 0.00 0.00 31.44 32.01 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 -3.80 3.93 0.16 0.00 2.56 -1.26 -0.53 118.70 119.77 2jhb s GLU 28 Ca 0.21 0.49 -0.00 0.00 0.00 0.00 0.00 54.97 55.67 2jhb s GLU 28 Cb 0.04 -2.65 -0.04 0.00 2.00 0.00 0.00 34.13 33.48 2jhb s GLU 28 CO 0.11 0.30 0.06 0.96 -0.56 0.00 0.00 175.26 176.13 2jhb s ILE 29 N -1.78 0.26 -0.10 -3.70 -4.36 -0.00 -0.73 121.20 110.79 2jhb s ILE 29 Ca 0.47 -1.94 -0.03 0.00 -0.26 0.00 0.00 60.65 58.89 2jhb s ILE 29 Cb -0.12 -2.16 0.05 0.00 1.25 0.00 0.00 42.46 41.47 2jhb s ILE 29 CO 0.20 -0.37 0.10 -0.75 0.24 0.00 0.00 174.94 174.36 2jhb s LYS 30 N -4.03 0.00 0.29 0.37 2.47 -0.14 -2.69 119.74 116.01 2jhb s LYS 30 Ca 0.27 0.29 -0.30 0.00 -1.56 0.00 0.00 55.97 54.68 2jhb s LYS 30 Cb 0.07 -0.85 -0.11 0.00 -1.46 0.00 0.00 37.83 35.49 2jhb s LYS 30 CO 0.04 -0.44 1.47 -0.47 0.16 0.00 0.00 175.35 176.12 2jhb s TYR 31 N 2.20 2.90 0.00 4.03 6.14 0.62 0.34 117.35 133.58 2jhb s TYR 31 Ca 0.04 1.03 0.00 0.00 0.64 0.00 0.00 57.07 58.78 2jhb s TYR 31 Cb -0.13 -3.89 0.00 0.00 0.42 0.00 0.00 41.96 38.36 2jhb s TYR 31 CO -0.06 -2.84 0.16 -2.37 0.64 0.00 0.00 175.55 171.09 2jhb n THR 32 N 1.88 0.01 0.00 4.34 5.66 -0.78 -4.80 114.28 120.59 2jhb n THR 32 Ca 0.06 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2jhb n THR 32 Cb 0.40 1.68 0.00 0.00 -1.55 0.00 0.00 70.33 70.85 2jhb n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jhb n GLY 33 N -0.00 -0.32 0.37 1.09 0.00 -0.94 -4.59 105.19 100.79 2jhb n GLY 33 Ca 0.00 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 0.28 0.00 1.61 -5.15 -1.96 -2.85 116.94 108.87 2jhb h PHE 34 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 2jhb h PHE 34 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 36.08 2jhb h PHE 34 CO 0.00 0.12 0.00 2.89 -2.00 0.00 0.00 178.31 179.32 2jhb n ARG 35 N -4.44 0.10 0.00 6.09 -4.01 -1.26 -2.81 116.66 110.33 2jhb n ARG 35 Ca 0.11 0.23 0.05 0.00 -1.04 0.00 0.00 57.85 57.21 2jhb n ARG 35 Cb 0.51 -1.50 0.32 0.00 -3.04 0.00 0.00 32.46 28.75 2jhb n ARG 35 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2jhb n ASP 36 N -1.35 0.00 -4.47 2.89 2.03 -1.08 -4.74 116.55 109.84 2jhb n ASP 36 Ca 0.04 -0.36 -0.28 0.00 0.52 0.00 0.00 54.79 54.71 2jhb n ASP 36 Cb 0.09 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 40.75 2jhb n ASP 36 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jhb n ARG 37 N -0.99 -2.44 -1.00 -0.67 5.12 -1.12 -5.02 116.66 110.53 2jhb n ARG 37 Ca 0.08 -0.68 -0.33 0.00 -1.93 0.00 0.00 57.85 54.99 2jhb n ARG 37 Cb 0.04 -2.16 0.13 0.00 -1.16 0.00 0.00 32.46 29.31 2jhb n ARG 37 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2jhb n PRO 38 N -4.90 0.02 -3.33 5.56 -0.04 -1.26 -5.00 135.00 126.05 2jhb n PRO 38 Ca 0.03 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 2jhb n PRO 38 Cb 0.54 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.59 2jhb n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2jhb s HIS 39 N -2.24 3.65 0.00 0.54 3.76 -1.26 -4.81 115.29 114.93 2jhb s HIS 39 Ca 0.71 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 2jhb s HIS 39 Cb -0.28 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.00 2jhb s HIS 39 CO 0.54 0.46 0.00 -0.85 -0.85 0.00 0.00 174.74 174.04 2jhb n GLU 40 N 1.02 0.00 -2.74 1.40 0.00 -1.26 -5.01 120.64 114.05 2jhb n GLU 40 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.07 2jhb n GLU 40 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.98 2jhb n GLU 40 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2jhb s GLU 41 N -1.52 0.58 0.03 3.44 2.56 -1.26 -4.95 118.70 117.58 2jhb s GLU 41 Ca 0.00 -0.54 0.22 0.00 0.00 0.00 0.00 54.97 54.65 2jhb s GLU 41 Cb 0.00 -0.02 -0.05 0.00 2.00 0.00 0.00 34.13 36.06 2jhb s GLU 41 CO 0.00 -0.73 0.94 0.54 -0.56 0.00 0.00 175.26 175.45 2jhb n ARG 42 N 2.88 0.27 0.35 4.30 3.00 -1.26 -4.70 116.66 121.50 2jhb n ARG 42 Ca 0.14 -0.03 -0.14 0.00 -0.01 0.00 0.00 57.85 57.81 2jhb n ARG 42 Cb 0.61 -1.56 -0.07 0.00 0.00 0.00 0.00 32.46 31.44 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 -0.87 -0.40 5.56 7.50 -1.92 0.25 115.11 125.23 2jhb h GLN 43 Ca 0.00 0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.17 2jhb h GLN 43 Cb 0.71 0.20 -0.02 0.00 0.05 0.00 0.00 27.48 28.43 2jhb h GLN 43 CO 0.00 -0.58 0.11 1.15 -1.50 0.00 0.00 178.83 178.01 2jhb h THR 44 N -0.97 1.22 -0.93 -0.54 2.02 -1.98 -2.19 112.91 109.54 2jhb h THR 44 Ca -0.09 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.39 2jhb h THR 44 Cb 0.69 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 2jhb h THR 44 CO 0.15 0.26 0.60 -0.09 0.37 0.00 0.00 175.52 176.81 2jhb h ARG 45 N 0.50 1.11 -0.13 6.66 9.65 -1.83 0.20 114.38 130.52 2jhb h ARG 45 Ca 0.13 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 2jhb h ARG 45 Cb 0.29 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 2jhb h ARG 45 CO -0.00 0.73 0.02 0.35 2.80 0.00 0.00 179.97 183.88 2jhb h PHE 46 N 1.14 0.04 0.00 2.20 3.57 0.10 0.45 116.94 124.44 2jhb h PHE 46 Ca 0.38 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 2jhb h PHE 46 Cb 0.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2jhb h PHE 46 CO -0.01 0.01 -0.20 1.96 -2.23 0.00 0.00 178.31 177.84 2jhb h GLN 47 N 0.08 0.00 0.00 1.11 7.50 -0.92 0.76 115.11 123.64 2jhb h GLN 47 Ca 0.06 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 59.02 2jhb h GLN 47 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.56 2jhb h GLN 47 CO -0.08 0.20 -0.86 -0.91 -1.50 0.00 0.00 178.83 175.68 2jhb h ASN 48 N 0.00 0.11 0.54 1.46 -0.26 0.89 0.13 115.58 118.44 2jhb h ASN 48 Ca -0.00 -0.09 -0.28 0.00 -0.56 0.00 0.00 56.30 55.36 2jhb h ASN 48 Cb 0.44 -0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.68 2jhb h ASN 48 CO 0.03 0.92 -1.27 0.00 -1.06 0.00 0.00 177.43 176.04 2jhb h ALA 49 N 1.08 0.06 -0.57 -0.83 0.00 0.23 0.15 119.26 119.38 2jhb h ALA 49 Ca -0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 2jhb h ALA 49 Cb 1.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2jhb h ALA 49 CO 0.12 0.91 -0.03 0.00 0.00 0.00 0.00 179.25 180.25 2jhb h ARG 51 N 0.92 0.77 0.00 0.00 2.43 -0.66 -1.35 114.38 116.49 2jhb h ARG 51 Ca 0.16 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2jhb h ARG 51 Cb 0.57 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2jhb h ARG 51 CO 0.03 0.76 0.08 -0.25 -1.51 0.00 0.00 179.97 179.08 2jhb n ASP 52 N -4.23 0.33 0.00 -3.80 9.92 0.52 -0.81 116.55 118.48 2jhb n ASP 52 Ca 0.03 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 2jhb n ASP 52 Cb 0.28 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 2jhb n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jhb n GLY 53 N -1.34 0.75 3.56 0.44 0.00 -0.51 -0.64 105.19 107.45 2jhb n GLY 53 Ca -0.01 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 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 0.67 -0.07 1.61 -4.01 -1.26 -4.42 116.66 109.18 2jhb n ARG 54 Ca 0.00 0.27 0.00 0.00 -1.04 0.00 0.00 57.85 57.08 2jhb n ARG 54 Cb 0.00 -2.03 0.00 0.00 -3.04 0.00 0.00 32.46 27.39 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 -0.59 0.00 -3.50 2.89 2.88 0.94 -4.86 113.62 111.37 2jhb n SER 55 Ca 0.13 -0.05 -0.22 0.00 -1.33 0.00 0.00 58.87 57.40 2jhb n SER 55 Cb 0.48 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.81 2jhb n SER 55 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jhb s GLU 56 N 0.84 0.20 -0.02 -1.46 2.02 -1.26 -1.21 118.70 117.80 2jhb s GLU 56 Ca 0.00 -0.07 0.05 0.00 0.02 0.00 0.00 54.97 54.96 2jhb s GLU 56 Cb 0.00 -1.18 -0.01 0.00 0.10 0.00 0.00 34.13 33.04 2jhb s GLU 56 CO 0.00 -0.82 -0.16 0.42 0.02 0.00 0.00 175.26 174.72 2jhb s ILE 57 N 2.25 1.30 0.41 -1.63 1.01 -0.84 -1.86 121.20 121.85 2jhb s ILE 57 Ca 0.07 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.12 2jhb s ILE 57 Cb -0.15 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 2jhb s ILE 57 CO -0.21 0.37 0.39 0.00 0.00 0.00 0.00 174.94 175.49 2jhb s ALA 58 N -0.18 4.09 0.36 9.38 0.00 0.15 -1.16 121.76 134.40 2jhb s ALA 58 Ca 0.02 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.21 2jhb s ALA 58 Cb -0.08 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2jhb s ALA 58 CO 0.00 -0.21 0.40 -0.06 0.00 0.00 0.00 175.76 175.90 2jhb s PHE 59 N -2.44 2.91 -0.21 0.00 0.40 -0.74 -0.97 117.98 116.93 2jhb s PHE 59 Ca 0.48 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 56.56 2jhb s PHE 59 Cb -0.04 -2.02 -0.21 0.00 0.51 0.00 0.00 43.02 41.26 2jhb s PHE 59 CO 0.28 -0.02 -0.00 0.28 0.70 0.00 0.00 175.22 176.46 2jhb n VAL 60 N -1.56 1.50 -0.31 -0.44 0.31 0.09 -3.05 118.33 114.87 2jhb n VAL 60 Ca 0.01 -0.69 0.17 0.00 -0.01 0.00 0.00 64.34 63.82 2jhb n VAL 60 Cb 0.60 -1.10 0.35 0.00 -0.91 0.00 0.00 33.84 32.78 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 0.42 1.50 0.00 3.52 0.00 -1.83 -2.98 119.26 119.89 2jhb h ALA 61 Ca -0.53 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jhb h ALA 61 Cb 2.04 0.28 0.00 0.00 0.00 0.00 0.00 17.79 20.11 2jhb h ALA 61 CO -0.02 -0.52 -0.15 2.41 0.00 0.00 0.00 179.25 180.98 2jhb n THR 62 N -5.19 0.00 -2.53 0.00 -1.04 -1.22 -5.01 114.28 99.30 2jhb n THR 62 Ca 0.25 -0.13 -0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2jhb n THR 62 Cb 0.79 0.72 0.00 0.00 -1.82 0.00 0.00 70.33 70.02 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 0.63 -0.92 2.98 3.41 0.00 -1.13 -5.03 105.19 105.13 2jhb n GLY 63 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.99 2.27 0.06 2.61 2.01 -1.25 -4.87 115.64 113.48 2jhb s THR 64 Ca 0.00 -2.54 -0.34 0.00 0.31 0.00 0.00 61.69 59.13 2jhb s THR 64 Cb -0.00 -2.65 -0.13 0.00 0.01 0.00 0.00 72.50 69.73 2jhb s THR 64 CO 0.50 -0.66 1.71 -3.20 -0.69 0.00 0.00 174.62 172.28 2jhb n ASN 65 N 4.00 3.29 -3.68 3.53 5.15 -1.26 -1.79 115.26 124.50 2jhb n ASN 65 Ca 0.04 1.03 -0.27 0.00 -0.60 0.00 0.00 54.58 54.78 2jhb n ASN 65 Cb 0.40 -1.41 -0.16 0.00 -0.53 0.00 0.00 39.78 38.07 2jhb n ASN 65 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2jhb s LEU 66 N 2.25 0.96 -0.36 1.20 1.98 -0.31 -4.93 118.68 119.46 2jhb s LEU 66 Ca 0.84 -0.87 -0.27 0.00 -2.89 0.00 0.00 54.13 50.93 2jhb s LEU 66 Cb -0.67 -0.49 -0.04 0.00 0.66 0.00 0.00 46.19 45.65 2jhb s LEU 66 CO 0.43 -0.34 2.12 -0.44 -1.89 0.00 0.00 176.35 176.23 2jhb s SER 67 N 1.94 5.29 0.36 3.68 0.01 -1.26 -1.98 113.70 121.74 2jhb s SER 67 Ca 0.02 1.35 -0.26 0.00 1.31 0.00 0.00 55.95 58.37 2jhb s SER 67 Cb -0.17 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.46 2jhb s SER 67 CO -0.13 -2.18 1.08 -0.22 0.41 0.00 0.00 173.24 172.21 2jhb s LEU 68 N 9.01 4.27 -0.31 2.44 0.20 -0.35 -4.85 118.68 129.10 2jhb s LEU 68 Ca 0.91 2.16 -0.03 0.00 0.69 0.00 0.00 54.13 57.86 2jhb s LEU 68 Cb -0.24 -3.99 0.11 0.00 -0.43 0.00 0.00 46.19 41.64 2jhb s LEU 68 CO 0.31 -0.42 0.14 -1.10 -0.29 0.00 0.00 176.35 174.99 2jhb s GLN 69 N -2.14 0.35 -0.99 1.98 -0.21 -1.26 -0.04 119.66 117.35 2jhb s GLN 69 Ca 0.54 -0.77 -0.20 0.00 0.02 0.00 0.00 55.36 54.95 2jhb s GLN 69 Cb -0.27 -1.34 0.10 0.00 1.00 0.00 0.00 33.01 32.50 2jhb s GLN 69 CO 0.34 -1.04 1.28 -0.06 -2.12 0.00 0.00 175.29 173.68 2jhb s PHE 70 N 1.83 2.93 -0.61 0.91 0.40 -1.26 -3.88 117.98 118.29 2jhb s PHE 70 Ca 0.11 -1.26 0.05 0.00 -0.60 0.00 0.00 56.93 55.23 2jhb s PHE 70 Cb -0.17 -4.44 0.17 0.00 0.51 0.00 0.00 43.02 39.08 2jhb s PHE 70 CO -0.29 -1.65 0.45 1.19 0.70 0.00 0.00 175.22 175.63 2jhb n PHE 71 N 7.35 1.94 -0.73 0.36 3.72 -1.24 -4.74 117.46 124.13 2jhb n PHE 71 Ca 0.29 -3.99 -0.32 0.00 -0.05 0.00 0.00 57.45 53.37 2jhb n PHE 71 Cb 0.49 -0.35 0.15 0.00 -0.94 0.00 0.00 39.48 38.83 2jhb n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jhb n PRO 72 N 2.21 -0.57 0.21 -1.08 -0.04 -1.26 -4.74 135.00 129.71 2jhb n PRO 72 Ca 0.23 -0.12 0.15 0.00 -0.04 0.00 0.00 63.50 63.72 2jhb n PRO 72 Cb 0.39 -2.02 0.70 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.78 1.00 -0.50 0.55 0.00 -1.98 -3.13 119.26 113.42 2jhb h ALA 73 Ca -0.45 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.85 2jhb h ALA 73 Cb 1.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2jhb h ALA 73 CO 0.37 0.00 2.19 -1.13 0.00 0.00 0.00 179.25 180.68 2jhb n SER 74 N -2.54 4.07 -4.77 0.00 3.41 -1.26 -5.00 113.62 107.53 2jhb n SER 74 Ca -0.00 -2.83 -0.34 0.00 -0.26 0.00 0.00 58.87 55.44 2jhb n SER 74 Cb 0.14 -1.66 0.03 0.00 -0.26 0.00 0.00 64.21 62.46 2jhb n SER 74 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2jhb s TRP 75 N 5.50 2.59 0.00 7.33 0.52 -1.19 -4.93 118.94 128.77 2jhb s TRP 75 Ca 0.56 1.55 0.00 0.00 0.02 0.00 0.00 56.10 58.23 2jhb s TRP 75 Cb 0.06 -3.24 0.00 0.00 -1.15 0.00 0.00 33.47 29.14 2jhb s TRP 75 CO 0.06 -1.73 0.00 0.00 0.02 0.00 0.00 176.95 175.30 2jhb n GLN 76 N -2.04 0.00 0.00 4.98 -0.00 -1.26 -5.10 117.38 113.96 2jhb n GLN 76 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 2jhb n GLN 76 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.75 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 3.49 -2.29 0.38 2.61 0.00 -1.26 -5.13 105.19 102.99 2jhb n GLY 77 Ca 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 46.02 46.81 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 1.53 -1.94 1.61 1.02 -1.26 -4.70 120.64 116.89 2jhb n GLU 78 Ca 0.00 -0.39 -0.16 0.00 -0.02 0.00 0.00 57.16 56.59 2jhb n GLU 78 Cb 0.00 0.14 -0.03 0.00 -0.02 0.00 0.00 31.44 31.52 2jhb n GLU 78 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jhb n GLN 79 N -0.12 -1.22 -1.31 3.49 1.13 0.19 -4.81 117.38 114.73 2jhb n GLN 79 Ca -0.02 0.91 0.15 0.00 -1.94 0.00 0.00 57.00 56.11 2jhb n GLN 79 Cb 0.07 -5.22 -0.07 0.00 0.11 0.00 0.00 30.24 25.13 2jhb n GLN 79 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2jhb n ARG 80 N -2.55 -2.73 0.00 -1.09 0.63 0.01 -4.83 116.66 106.11 2jhb n ARG 80 Ca -0.18 2.12 0.00 0.00 -0.92 0.00 0.00 57.85 58.87 2jhb n ARG 80 Cb 0.60 -3.31 0.00 0.00 0.45 0.00 0.00 32.46 30.20 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 -4.03 0.00 -3.33 -0.14 -0.06 -1.26 -4.94 117.38 103.61 2jhb n GLN 81 Ca -0.05 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.69 2jhb n GLN 81 Cb 0.63 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.72 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 -0.41 -1.01 1.69 -1.04 -1.26 -5.11 114.28 107.14 2jhb n THR 82 Ca 0.00 -3.99 -0.29 0.00 -2.04 0.00 0.00 64.05 57.73 2jhb n THR 82 Cb 0.00 -1.88 0.21 0.00 -1.82 0.00 0.00 70.33 66.83 2jhb n THR 82 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jhb s PRO 83 N -0.91 -0.30 0.59 -2.82 0.04 -1.26 -5.07 135.00 125.27 2jhb s PRO 83 Ca 0.34 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 2jhb s PRO 83 Cb 0.11 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 33.01 2jhb s PRO 83 CO -0.14 -3.21 0.88 -1.54 0.04 0.00 0.00 177.00 173.04 2jhb s SER 84 N -3.35 5.41 0.28 6.66 1.04 -1.26 -4.85 113.70 117.63 2jhb s SER 84 Ca 0.67 0.51 0.01 0.00 0.48 0.00 0.00 55.95 57.62 2jhb s SER 84 Cb -0.18 -1.44 0.66 0.00 0.10 0.00 0.00 66.02 65.16 2jhb s SER 84 CO 0.59 -1.15 1.69 -0.09 0.98 0.00 0.00 173.24 175.26 2jhb h ARG 85 N -0.17 0.33 -0.00 4.02 2.43 -1.82 -0.65 114.38 118.52 2jhb h ARG 85 Ca -0.45 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.51 2jhb h ARG 85 Cb 1.27 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2jhb h ARG 85 CO 0.59 0.22 -0.86 1.49 -1.51 0.00 0.00 179.97 179.90 2jhb h GLU 86 N 0.34 0.22 0.00 0.20 4.57 -1.92 -3.35 114.58 114.64 2jhb h GLU 86 Ca 0.52 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2jhb h GLU 86 Cb 0.98 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2jhb h GLU 86 CO -0.54 0.95 0.00 0.66 -1.18 0.00 0.00 179.01 178.90 2jhb n TYR 87 N -3.69 0.00 -3.78 0.92 4.02 -0.36 -3.42 117.16 110.84 2jhb n TYR 87 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.73 2jhb n TYR 87 Cb 0.79 -0.47 -0.08 0.00 -0.02 0.00 0.00 39.34 39.56 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 -2.27 0.08 -0.06 -0.72 1.01 -0.54 -2.51 120.40 115.37 2jhb s VAL 88 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2jhb s VAL 88 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2jhb s VAL 88 CO 0.00 -0.36 0.03 -0.67 0.00 0.00 0.00 175.10 174.11 2jhb n ASP 89 N 0.93 -3.11 -0.77 3.32 -0.08 -1.26 -4.26 116.55 111.32 2jhb n ASP 89 Ca -0.20 0.22 0.03 0.00 -1.51 0.00 0.00 54.79 53.33 2jhb n ASP 89 Cb 0.58 -1.80 0.04 0.00 2.34 0.00 0.00 41.12 42.28 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 -0.05 0.87 0.00 -2.67 -0.00 -1.26 -4.61 117.00 109.29 2jhb n LEU 90 Ca 0.01 -1.86 0.00 0.00 -0.00 0.00 0.00 56.01 54.16 2jhb n LEU 90 Cb 0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2jhb n LEU 90 CO 0.08 0.50 0.00 1.21 -0.00 0.00 0.00 177.39 179.18 2jhb n GLU 91 N -0.14 0.00 0.00 1.47 2.13 -1.26 -4.40 120.64 118.45 2jhb n GLU 91 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2jhb n GLU 91 Cb 0.83 -2.95 0.00 0.00 0.27 0.00 0.00 31.44 29.59 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 -1.66 0.00 -0.05 5.31 3.00 -1.26 -5.15 116.66 116.85 2jhb n ARG 92 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2jhb n ARG 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2jhb n GLU 93 N 1.73 0.17 -2.03 -0.14 4.07 -0.98 -4.91 120.64 118.54 2jhb n GLU 93 Ca 0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.83 2jhb n GLU 93 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jhb s ALA 94 N -3.89 1.66 0.00 4.31 0.00 -1.26 -3.91 121.76 118.68 2jhb s ALA 94 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2jhb s ALA 94 Cb 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2jhb s ALA 94 CO 0.00 -5.13 0.00 0.41 0.00 0.00 0.00 175.76 171.04 2jhb n GLY 95 N 6.29 0.49 3.45 0.00 0.00 -1.26 -4.93 105.19 109.23 2jhb n GLY 95 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.53 1.63 0.22 1.61 0.00 -1.25 -1.35 119.74 120.08 2jhb s LYS 96 Ca 0.00 -1.89 0.09 0.00 0.00 0.00 0.00 55.97 54.16 2jhb s LYS 96 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 37.83 36.87 2jhb s LYS 96 CO 0.00 -0.15 0.00 0.54 0.00 0.00 0.00 175.35 175.75 2jhb s VAL 97 N -3.24 3.60 0.11 1.79 0.11 0.11 -2.33 120.40 120.55 2jhb s VAL 97 Ca 0.35 -1.68 -0.10 0.00 -2.93 0.00 0.00 61.98 57.63 2jhb s VAL 97 Cb 0.08 -2.87 -0.06 0.00 -1.53 0.00 0.00 36.38 32.00 2jhb s VAL 97 CO 0.15 -0.26 0.43 -0.31 -3.33 0.00 0.00 175.10 171.78 2jhb s TYR 98 N -2.04 3.56 -0.22 1.54 1.51 -1.26 -1.61 117.35 118.83 2jhb s TYR 98 Ca 0.29 0.80 -0.08 0.00 -1.01 0.00 0.00 57.07 57.08 2jhb s TYR 98 Cb -0.08 -2.17 0.10 0.00 -0.11 0.00 0.00 41.96 39.70 2jhb s TYR 98 CO 0.19 0.47 0.47 -1.17 -1.11 0.00 0.00 175.55 174.41 2jhb s LEU 99 N -2.10 -0.72 -0.28 -1.29 1.98 -0.97 -4.71 118.68 110.59 2jhb s LEU 99 Ca 0.36 1.11 -0.20 0.00 -2.89 0.00 0.00 54.13 52.52 2jhb s LEU 99 Cb -0.14 1.56 0.11 0.00 0.66 0.00 0.00 46.19 48.38 2jhb s LEU 99 CO 0.19 -0.23 0.87 -0.75 -1.89 0.00 0.00 176.35 174.55 2jhb s LYS 100 N 2.59 0.57 -0.23 1.98 2.20 -1.05 -1.08 119.74 124.73 2jhb s LYS 100 Ca -0.03 0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 56.35 2jhb s LYS 100 Cb -0.12 0.18 0.10 0.00 -1.51 0.00 0.00 37.83 36.49 2jhb s LYS 100 CO -0.14 -0.10 0.50 0.00 -0.36 0.00 0.00 175.35 175.25 2jhb s ALA 101 N 1.01 -1.44 -0.33 3.13 0.00 0.45 -4.39 121.76 120.20 2jhb s ALA 101 Ca -0.05 1.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.40 2jhb s ALA 101 Cb -0.05 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2jhb s ALA 101 CO -0.12 -0.77 1.17 -1.25 0.00 0.00 0.00 175.76 174.79 2jhb s PRO 102 N 2.60 3.98 0.54 0.00 0.04 -1.25 -0.81 135.00 140.10 2jhb s PRO 102 Ca -0.04 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2jhb s PRO 102 Cb -0.12 -3.81 0.03 0.00 0.04 0.00 0.00 34.50 30.64 2jhb s PRO 102 CO -0.15 -1.03 0.77 -1.64 0.04 0.00 0.00 177.00 175.00 2jhb s MET 103 N 3.93 2.66 -0.32 4.56 -1.94 0.31 -3.61 119.30 124.89 2jhb s MET 103 Ca 0.50 -0.64 -0.02 0.00 -1.71 0.00 0.00 55.69 53.82 2jhb s MET 103 Cb -0.13 -2.47 0.12 0.00 2.01 0.00 0.00 34.83 34.35 2jhb s MET 103 CO 0.20 -0.65 0.16 0.42 -0.01 0.00 0.00 175.02 175.14 2jhb s ILE 104 N -2.76 0.08 -0.12 2.53 1.01 -1.26 -3.09 121.20 117.60 2jhb s ILE 104 Ca 0.55 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2jhb s ILE 104 Cb -0.10 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.29 2jhb s ILE 104 CO 0.39 -0.83 -0.22 -0.76 0.00 0.00 0.00 174.94 173.52 2jhb s LEU 105 N 1.66 2.14 -1.41 2.97 2.01 -0.69 -4.62 118.68 120.74 2jhb s LEU 105 Ca 0.13 -0.57 -0.11 0.00 0.01 0.00 0.00 54.13 53.58 2jhb s LEU 105 Cb -0.19 -1.44 0.09 0.00 0.01 0.00 0.00 46.19 44.66 2jhb s LEU 105 CO -0.21 0.12 0.63 -3.20 1.01 0.00 0.00 176.35 174.70 2jhb n ASN 106 N 3.77 -3.96 0.00 2.29 2.85 -1.26 -1.21 115.26 117.75 2jhb n ASN 106 Ca -0.19 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 2jhb n ASN 106 Cb 0.52 -3.24 0.00 0.00 1.24 0.00 0.00 39.78 38.30 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 -1.31 0.48 3.61 8.20 0.00 -1.26 -4.64 105.19 110.27 2jhb n GLY 107 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.36 4.68 -1.13 1.61 1.01 -0.35 -3.59 120.40 120.28 2jhb s VAL 108 Ca 0.00 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.95 2jhb s VAL 108 Cb 0.00 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2jhb s VAL 108 CO 0.00 -0.41 1.80 0.00 0.00 0.00 0.00 175.10 176.49 2jhb s VAL 110 N 7.94 4.68 -0.22 0.00 -7.23 -1.18 -1.09 120.40 123.29 2jhb s VAL 110 Ca 0.61 0.46 -0.06 0.00 -1.81 0.00 0.00 61.98 61.18 2jhb s VAL 110 Cb -0.01 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.09 2jhb s VAL 110 CO 0.05 -0.93 0.02 -0.63 -0.31 0.00 0.00 175.10 173.31 2jhb s ILE 111 N -2.95 4.05 -0.06 -0.62 1.01 0.54 -0.53 121.20 122.64 2jhb s ILE 111 Ca 0.51 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 2jhb s ILE 111 Cb -0.11 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2jhb s ILE 111 CO 0.49 0.39 1.16 0.86 0.00 0.00 0.00 174.94 177.84 2jhb s TRP 112 N 1.29 3.26 -0.01 3.97 -0.00 0.01 -0.37 118.94 127.10 2jhb s TRP 112 Ca 0.04 1.30 -0.03 0.00 -0.00 0.00 0.00 56.10 57.41 2jhb s TRP 112 Cb -0.15 -3.37 -0.00 0.00 -0.00 0.00 0.00 33.47 29.95 2jhb s TRP 112 CO 0.02 -1.08 0.06 -1.59 -0.00 0.00 0.00 176.95 174.36 2jhb s LYS 113 N 2.15 0.27 0.00 5.86 0.00 -0.01 -0.41 119.74 127.59 2jhb s LYS 113 Ca 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 55.97 56.26 2jhb s LYS 113 Cb -0.23 0.11 0.00 0.00 0.00 0.00 0.00 37.83 37.70 2jhb s LYS 113 CO 0.21 -0.05 0.00 0.41 0.00 0.00 0.00 175.35 175.92 2jhb n GLY 114 N 2.16 -0.61 2.76 0.59 0.00 -0.24 -0.99 105.19 108.86 2jhb n GLY 114 Ca -0.19 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.00 0.14 -0.37 1.61 -2.14 0.14 -2.30 118.94 113.01 2jhb s TRP 115 Ca 0.00 0.11 -0.17 0.00 2.66 0.00 0.00 56.10 58.70 2jhb s TRP 115 Cb 0.00 -0.37 0.00 0.00 -3.10 0.00 0.00 33.47 30.00 2jhb s TRP 115 CO 0.00 -0.14 0.46 0.42 -2.66 0.00 0.00 176.95 175.04 2jhb s ILE 116 N 1.37 5.06 0.62 0.66 -1.09 -0.63 -1.42 121.20 125.76 2jhb s ILE 116 Ca -0.05 0.06 -0.19 0.00 -2.23 0.00 0.00 60.65 58.24 2jhb s ILE 116 Cb -0.13 -3.97 -0.02 0.00 -1.58 0.00 0.00 42.46 36.76 2jhb s ILE 116 CO -0.03 -0.27 1.31 -0.62 -1.23 0.00 0.00 174.94 174.11 2jhb s ASP 117 N 1.79 4.82 0.11 3.58 -1.08 0.42 -0.71 116.67 125.59 2jhb s ASP 117 Ca 0.15 2.67 0.26 0.00 -0.52 0.00 0.00 52.55 55.11 2jhb s ASP 117 Cb -0.16 -2.62 0.97 0.00 -1.46 0.00 0.00 42.92 39.65 2jhb s ASP 117 CO 0.13 -1.87 1.79 0.18 0.52 0.00 0.00 175.17 175.93 2jhb n LEU 118 N -1.63 0.40 0.38 -1.34 4.77 -0.45 -3.12 117.00 116.00 2jhb n LEU 118 Ca 0.14 0.55 -0.15 0.00 -0.03 0.00 0.00 56.01 56.52 2jhb n LEU 118 Cb 0.47 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2jhb n LEU 118 CO 0.49 -0.16 0.43 1.12 -1.33 0.00 0.00 177.39 177.93 2jhb h HIS 119 N 0.00 -0.90 0.00 -1.77 2.07 -1.90 -3.38 115.15 109.26 2jhb h HIS 119 Ca 0.00 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2jhb h HIS 119 Cb 0.55 0.30 0.00 0.00 2.57 0.00 0.00 27.41 30.83 2jhb h HIS 119 CO 0.00 -0.56 0.00 0.54 -3.07 0.00 0.00 177.93 174.84 2jhb n ARG 120 N -5.11 -0.14 -3.29 5.12 5.12 -1.26 -4.99 116.66 112.11 2jhb n ARG 120 Ca -0.12 -0.43 -0.16 0.00 -1.93 0.00 0.00 57.85 55.21 2jhb n ARG 120 Cb 0.38 -0.78 0.07 0.00 -1.16 0.00 0.00 32.46 30.98 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 -0.05 -3.60 0.00 0.55 7.99 -1.18 -4.83 117.00 115.87 2jhb n LEU 121 Ca 0.00 -0.51 -0.03 0.00 -0.01 0.00 0.00 56.01 55.46 2jhb n LEU 121 Cb 0.16 -2.74 0.00 0.00 -0.11 0.00 0.00 43.42 40.73 2jhb n LEU 121 CO 0.00 0.39 0.02 0.47 -1.51 0.00 0.00 177.39 176.77 2jhb n ASP 122 N -2.70 0.91 0.00 -1.43 8.00 -1.26 -0.28 116.55 119.79 2jhb n ASP 122 Ca -0.18 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.09 2jhb n ASP 122 Cb 0.62 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 2jhb n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jhb n GLY 123 N 4.11 0.29 3.42 0.44 0.00 -1.09 -0.44 105.19 111.92 2jhb n GLY 123 Ca 0.01 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.00 1.81 -0.04 1.61 -1.94 -0.51 -0.82 119.30 117.41 2jhb s MET 124 Ca 0.00 -1.13 -0.30 0.00 -1.71 0.00 0.00 55.69 52.56 2jhb s MET 124 Cb 0.00 -2.06 0.11 0.00 2.01 0.00 0.00 34.83 34.89 2jhb s MET 124 CO 0.00 0.50 1.33 0.20 -0.01 0.00 0.00 175.02 177.04 2jhb s GLY 125 N -1.65 -0.26 -0.02 -0.03 0.00 0.31 -0.69 107.32 104.98 2jhb s GLY 125 Ca 0.14 0.33 -0.07 0.00 0.00 0.00 0.00 44.72 45.12 2jhb s GLY 125 CO 0.06 3.88 0.33 0.00 0.00 0.00 0.00 173.10 177.37 2jhb s LEU 127 N 0.00 3.33 0.25 0.00 1.43 -0.84 -0.83 118.68 122.02 2jhb s LEU 127 Ca 0.08 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2jhb s LEU 127 Cb -0.00 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2jhb s LEU 127 CO -0.01 0.10 0.17 -0.70 0.23 0.00 0.00 176.35 176.14 2jhb s GLU 128 N -2.89 1.42 0.06 1.70 2.56 0.51 -4.63 118.70 117.44 2jhb s GLU 128 Ca 0.27 -1.79 -0.10 0.00 0.00 0.00 0.00 54.97 53.36 2jhb s GLU 128 Cb -0.09 0.20 -0.06 0.00 2.00 0.00 0.00 34.13 36.18 2jhb s GLU 128 CO 0.19 -0.46 0.38 0.12 -0.56 0.00 0.00 175.26 174.93 2jhb s PHE 129 N -3.86 3.59 -0.54 5.30 5.36 -1.26 -0.34 117.98 126.23 2jhb s PHE 129 Ca 0.39 0.77 -0.11 0.00 -0.96 0.00 0.00 56.93 57.03 2jhb s PHE 129 Cb 0.05 -2.15 0.14 0.00 -0.34 0.00 0.00 43.02 40.73 2jhb s PHE 129 CO 0.17 0.54 0.44 0.34 -1.46 0.00 0.00 175.22 175.25 2jhb s ASP 130 N -1.70 5.90 0.39 6.13 -1.08 -0.25 -4.68 116.67 121.38 2jhb s ASP 130 Ca 0.32 -2.05 0.21 0.00 -0.52 0.00 0.00 52.55 50.50 2jhb s ASP 130 Cb -0.14 -2.07 0.64 0.00 -1.46 0.00 0.00 42.92 39.89 2jhb s ASP 130 CO 0.17 -0.69 1.70 1.05 0.52 0.00 0.00 175.17 177.93 2jhb h GLU 131 N 8.36 0.00 0.09 4.34 4.11 -1.98 -1.12 114.58 128.38 2jhb h GLU 131 Ca -0.18 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 2jhb h GLU 131 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2jhb h GLU 131 CO 0.88 0.29 -0.04 1.49 0.07 0.00 0.00 179.01 181.69 2jhb h GLU 132 N 0.00 -0.12 0.00 1.06 4.81 -1.97 -3.29 114.58 115.07 2jhb h GLU 132 Ca -0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2jhb h GLU 132 Cb 0.94 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2jhb h GLU 132 CO 0.04 0.31 -0.39 0.00 -0.73 0.00 0.00 179.01 178.24 2jhb h ARG 133 N -0.95 0.00 0.03 1.92 2.47 -1.87 0.14 114.38 116.12 2jhb h ARG 133 Ca -0.01 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 2jhb h ARG 133 Cb 0.48 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 2jhb h ARG 133 CO 0.02 0.39 -0.12 0.00 0.56 0.00 0.00 179.97 180.82 2jhb h ALA 134 N 1.61 -0.16 -0.74 0.04 0.00 -1.41 0.48 119.26 119.08 2jhb h ALA 134 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jhb h ALA 134 Cb 0.84 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2jhb h ALA 134 CO 0.05 -0.62 0.49 1.96 0.00 0.00 0.00 179.25 181.13 2jhb h GLN 135 N -0.22 0.87 -0.11 0.00 4.20 -0.91 0.25 115.11 119.19 2jhb h GLN 135 Ca 0.03 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.49 2jhb h GLN 135 Cb 0.26 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2jhb h GLN 135 CO -0.10 0.57 -0.74 0.37 -0.67 0.00 0.00 178.83 178.26 2jhb h GLN 136 N 0.89 0.57 -0.01 1.46 4.15 -0.51 -2.18 115.11 119.48 2jhb h GLN 136 Ca 0.30 -0.46 -0.13 0.00 0.77 0.00 0.00 58.65 59.12 2jhb h GLN 136 Cb 0.07 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2jhb h GLN 136 CO -0.09 1.09 -0.62 1.49 -1.93 0.00 0.00 178.83 178.77 2jhb h GLU 137 N 0.39 0.05 -0.62 1.69 4.57 -0.64 -1.73 114.58 118.29 2jhb h GLU 137 Ca -0.04 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2jhb h GLU 137 Cb 1.34 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.91 2jhb h GLU 137 CO 0.14 0.65 0.24 -0.44 -1.18 0.00 0.00 179.01 178.42 2jhb h ASP 138 N 0.04 0.84 -0.41 1.04 5.19 -0.72 0.03 116.42 122.43 2jhb h ASP 138 Ca -0.01 -0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.24 2jhb h ASP 138 Cb 1.10 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 2jhb h ASP 138 CO 0.08 0.76 0.07 0.00 -3.12 0.00 0.00 179.24 177.03 2jhb h ALA 139 N 1.36 0.54 0.00 3.45 0.00 -1.18 -3.05 119.26 120.37 2jhb h ALA 139 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jhb h ALA 139 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jhb h ALA 139 CO -0.02 0.25 -0.03 -0.07 0.00 0.00 0.00 179.25 179.38 2jhb h LEU 140 N 0.53 0.00 -2.10 0.00 3.38 -0.38 0.52 115.31 117.25 2jhb h LEU 140 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2jhb h LEU 140 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jhb h LEU 140 CO 0.01 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.57 2jhb n ALA 141 N -2.22 2.35 -2.91 1.53 0.00 -0.09 -4.80 120.51 114.36 2jhb n ALA 141 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 2jhb n ALA 141 Cb 0.14 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 18.62 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 0.71 -3.52 0.00 0.00 7.27 0.06 -5.04 117.38 116.85 2jhb n GLN 142 Ca 0.00 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.68 2jhb n GLN 142 Cb 0.38 -4.78 0.00 0.00 2.41 0.00 0.00 30.24 28.25 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07