#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhb s SER 2 N 0.00 -0.26 -0.35 1.61 0.15 -1.26 -5.12 113.70 108.47 2jhb s SER 2 Ca 0.00 0.86 -0.00 0.00 0.70 0.00 0.00 55.95 57.51 2jhb s SER 2 Cb 0.00 0.97 0.12 0.00 -1.71 0.00 0.00 66.02 65.40 2jhb s SER 2 CO 0.00 -0.21 0.16 -0.32 1.20 0.00 0.00 173.24 174.06 2jhb s MET 3 N 2.04 0.80 0.65 5.44 -2.45 -1.26 -5.13 119.30 119.39 2jhb s MET 3 Ca -0.05 -1.32 -0.13 0.00 -1.25 0.00 0.00 55.69 52.94 2jhb s MET 3 Cb -0.11 -1.90 -0.01 0.00 1.25 0.00 0.00 34.83 34.07 2jhb s MET 3 CO -0.12 -1.07 1.06 -1.25 1.05 0.00 0.00 175.02 174.69 2jhb s PRO 4 N 1.22 3.07 0.00 4.11 0.04 -1.26 -4.87 135.00 137.31 2jhb s PRO 4 Ca 0.13 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2jhb s PRO 4 Cb -0.20 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2jhb s PRO 4 CO -0.15 -1.00 0.00 0.54 0.04 0.00 0.00 177.00 176.43 2jhb n ARG 5 N -2.66 2.32 -4.39 4.56 5.12 -1.26 -5.06 116.66 115.29 2jhb n ARG 5 Ca 0.08 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.80 2jhb n ARG 5 Cb 0.53 -0.54 -0.10 0.00 -1.16 0.00 0.00 32.46 31.19 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 -0.71 1.40 0.75 1.55 -7.23 -1.26 -4.32 120.40 110.57 2jhb s VAL 6 Ca 0.00 -2.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.07 2jhb s VAL 6 Cb 0.00 -2.42 0.15 0.00 0.56 0.00 0.00 36.38 34.67 2jhb s VAL 6 CO 0.00 -0.30 1.02 1.33 -0.31 0.00 0.00 175.10 176.84 2jhb n VAL 7 N -0.53 0.00 0.00 1.32 0.24 0.54 -4.76 118.33 115.15 2jhb n VAL 7 Ca -0.05 -1.51 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 2jhb n VAL 7 Cb 0.64 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 2jhb n VAL 7 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jhb n PRO 8 N -2.92 0.00 -2.66 7.34 -0.04 -1.26 -4.43 135.00 131.03 2jhb n PRO 8 Ca 0.16 0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.35 2jhb n PRO 8 Cb 0.59 -0.90 -0.00 0.00 -0.04 0.00 0.00 33.50 33.14 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 -1.81 6.84 0.31 3.54 -1.08 -1.26 -4.81 116.67 118.40 2jhb s ASP 9 Ca 0.00 -2.43 0.03 0.00 -0.52 0.00 0.00 52.55 49.63 2jhb s ASP 9 Cb 0.00 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.53 2jhb s ASP 9 CO 0.00 -1.13 1.89 1.56 0.52 0.00 0.00 175.17 178.01 2jhb h GLN 10 N 7.77 0.91 -0.48 4.34 4.20 -1.87 -2.35 115.11 127.64 2jhb h GLN 10 Ca 0.39 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 59.00 2jhb h GLN 10 Cb 0.89 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2jhb h GLN 10 CO 1.41 0.60 0.12 -0.09 -0.67 0.00 0.00 178.83 180.20 2jhb h ARG 11 N 0.94 0.76 -0.64 1.46 9.65 -1.97 0.23 114.38 124.81 2jhb h ARG 11 Ca 0.42 -0.18 -0.08 0.00 -1.10 0.00 0.00 59.98 59.04 2jhb h ARG 11 Cb 0.38 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 2jhb h ARG 11 CO -0.18 0.74 0.09 0.77 2.80 0.00 0.00 179.97 184.19 2jhb h SER 12 N 0.64 1.02 0.47 -3.80 0.02 -1.92 -2.81 113.55 107.17 2jhb h SER 12 Ca 0.15 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 2jhb h SER 12 Cb 0.32 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2jhb h SER 12 CO 0.00 1.02 -0.58 0.50 -1.14 0.00 0.00 176.83 176.63 2jhb h LYS 13 N 0.99 0.12 -1.01 3.45 1.63 -0.97 0.56 116.57 121.33 2jhb h LYS 13 Ca 0.19 -0.08 0.14 0.00 -0.85 0.00 0.00 60.65 60.06 2jhb h LYS 13 Cb 0.45 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.00 2jhb h LYS 13 CO 0.01 0.67 0.63 0.35 -3.45 0.00 0.00 179.45 177.66 2jhb h PHE 14 N 0.09 1.12 -0.01 1.91 3.57 -0.32 0.70 116.94 124.00 2jhb h PHE 14 Ca -0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2jhb h PHE 14 Cb 1.06 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2jhb h PHE 14 CO 0.01 0.38 -0.16 0.93 -2.23 0.00 0.00 178.31 177.24 2jhb h GLU 15 N 0.92 0.13 0.00 1.11 4.39 -1.25 -3.41 114.58 116.47 2jhb h GLU 15 Ca 0.53 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 60.05 2jhb h GLU 15 Cb 0.63 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2jhb h GLU 15 CO -0.31 0.84 -0.76 -0.91 -1.16 0.00 0.00 179.01 176.71 2jhb h ASN 16 N -0.53 0.00 -1.32 1.42 2.35 -0.07 -3.43 115.58 113.99 2jhb h ASN 16 Ca -0.02 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.08 2jhb h ASN 16 Cb 0.88 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 2jhb h ASN 16 CO 0.03 0.20 1.44 -0.62 -1.65 0.00 0.00 177.43 176.83 2jhb n GLU 17 N -2.91 1.31 0.30 0.81 -0.58 0.16 -4.83 120.64 114.90 2jhb n GLU 17 Ca -0.01 0.35 0.18 0.00 -0.42 0.00 0.00 57.16 57.27 2jhb n GLU 17 Cb 0.63 -2.66 0.96 0.00 -0.57 0.00 0.00 31.44 29.80 2jhb n GLU 17 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2jhb h GLU 18 N 13.08 0.00 0.08 3.49 4.81 -1.90 -1.88 114.58 132.27 2jhb h GLU 18 Ca -0.31 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2jhb h GLU 18 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2jhb h GLU 18 CO 1.00 0.03 -0.12 0.35 -0.73 0.00 0.00 179.01 179.54 2jhb h PHE 19 N 0.00 -0.32 -0.23 0.92 3.04 -1.96 -0.87 116.94 117.52 2jhb h PHE 19 Ca -0.00 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 2jhb h PHE 19 Cb 0.16 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 2jhb h PHE 19 CO 0.00 -0.19 -0.31 0.74 -2.02 0.00 0.00 178.31 176.53 2jhb h PHE 20 N -0.25 0.55 0.00 0.41 0.04 -1.68 -2.30 116.94 113.71 2jhb h PHE 20 Ca 0.02 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.66 2jhb h PHE 20 Cb 0.26 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2jhb h PHE 20 CO -0.15 0.74 0.00 0.00 -0.60 0.00 0.00 178.31 178.31 2jhb h ARG 21 N 0.42 0.00 0.09 1.51 2.47 -0.93 0.32 114.38 118.25 2jhb h ARG 21 Ca 0.05 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.63 2jhb h ARG 21 Cb 0.75 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.08 2jhb h ARG 21 CO 0.06 0.00 -0.66 0.87 0.56 0.00 0.00 179.97 180.80 2jhb h LYS 22 N 0.00 0.19 0.00 0.04 1.57 -0.60 -3.35 116.57 114.42 2jhb h LYS 22 Ca 0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2jhb h LYS 22 Cb 0.13 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2jhb h LYS 22 CO 0.00 1.16 0.00 1.28 -0.57 0.00 0.00 179.45 181.32 2jhb n LEU 23 N -4.26 0.34 -4.70 2.94 4.77 -0.67 -4.59 117.00 110.83 2jhb n LEU 23 Ca -0.15 0.54 -0.33 0.00 -0.03 0.00 0.00 56.01 56.05 2jhb n LEU 23 Cb 0.72 -0.45 0.12 0.00 -2.33 0.00 0.00 43.42 41.49 2jhb n LEU 23 CO 0.42 -0.16 0.76 -0.94 -1.33 0.00 0.00 177.39 176.13 2jhb s SER 24 N -3.63 3.66 0.30 -1.43 1.04 0.10 -3.81 113.70 109.93 2jhb s SER 24 Ca 0.11 2.31 0.00 0.00 0.48 0.00 0.00 55.95 58.84 2jhb s SER 24 Cb 0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2jhb s SER 24 CO 0.49 -2.62 0.00 0.54 0.98 0.00 0.00 173.24 172.63 2jhb n ARG 25 N -3.34 -2.23 -2.61 4.02 1.74 -1.26 -4.73 116.66 108.26 2jhb n ARG 25 Ca 0.13 1.55 -0.43 0.00 -0.77 0.00 0.00 57.85 58.33 2jhb n ARG 25 Cb 0.51 -2.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.18 2jhb n ARG 25 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jhb s GLU 26 N -2.46 3.80 0.24 5.56 -1.05 -1.26 -4.26 118.70 119.27 2jhb s GLU 26 Ca 0.00 0.68 0.01 0.00 -0.15 0.00 0.00 54.97 55.51 2jhb s GLU 26 Cb 0.00 -3.87 -0.05 0.00 -0.44 0.00 0.00 34.13 29.77 2jhb s GLU 26 CO 0.00 -1.27 0.10 0.00 0.95 0.00 0.00 175.26 175.04 2jhb s GLU 28 N -4.06 3.37 0.07 0.00 2.56 -1.26 -0.65 118.70 118.71 2jhb s GLU 28 Ca 0.38 1.44 -0.01 0.00 0.00 0.00 0.00 54.97 56.79 2jhb s GLU 28 Cb 0.08 -2.02 -0.04 0.00 2.00 0.00 0.00 34.13 34.14 2jhb s GLU 28 CO 0.13 -0.81 -0.02 0.96 -0.56 0.00 0.00 175.26 174.96 2jhb s ILE 29 N -2.03 0.26 0.04 -3.70 -4.36 0.19 -0.75 121.20 110.84 2jhb s ILE 29 Ca 0.69 -1.84 0.01 0.00 -0.26 0.00 0.00 60.65 59.25 2jhb s ILE 29 Cb -0.20 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 2jhb s ILE 29 CO 0.29 -0.92 -0.05 -0.54 0.24 0.00 0.00 174.94 173.97 2jhb s LYS 30 N -3.93 0.48 0.83 0.37 1.02 0.12 -1.08 119.74 117.56 2jhb s LYS 30 Ca 0.10 -0.84 -0.12 0.00 0.02 0.00 0.00 55.97 55.13 2jhb s LYS 30 Cb 0.08 -0.03 0.10 0.00 -0.52 0.00 0.00 37.83 37.45 2jhb s LYS 30 CO -0.08 -0.03 1.19 -0.47 -0.92 0.00 0.00 175.35 175.04 2jhb s TYR 31 N -2.08 1.78 0.00 3.18 5.04 0.79 -0.06 117.35 126.00 2jhb s TYR 31 Ca -0.07 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 2jhb s TYR 31 Cb -0.05 -3.44 0.00 0.00 0.35 0.00 0.00 41.96 38.82 2jhb s TYR 31 CO -0.02 -2.81 0.18 -2.37 -1.34 0.00 0.00 175.55 169.19 2jhb n THR 32 N -3.51 0.00 -0.08 4.34 5.66 -0.66 -4.59 114.28 115.44 2jhb n THR 32 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 2jhb n THR 32 Cb 0.51 1.44 0.00 0.00 -1.55 0.00 0.00 70.33 70.72 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 1.30 0.27 1.09 0.00 0.14 -4.88 105.19 103.11 2jhb n GLY 33 Ca 0.00 -1.53 0.18 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.98 -2.72 116.94 108.70 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 0.29 -0.09 -2.00 0.00 0.00 178.31 176.51 2jhb h ARG 35 N 0.00 0.00 0.00 6.09 1.12 -1.95 -2.99 114.38 116.65 2jhb h ARG 35 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2jhb h ARG 35 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 2jhb h ARG 35 CO 0.00 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.61 2jhb n ASP 36 N -2.68 0.00 -4.34 -3.80 9.92 -1.03 -4.60 116.55 110.02 2jhb n ASP 36 Ca -0.02 -0.21 -0.32 0.00 -0.53 0.00 0.00 54.79 53.71 2jhb n ASP 36 Cb 0.33 -0.06 0.17 0.00 -0.64 0.00 0.00 41.12 40.93 2jhb n ASP 36 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2jhb n ARG 37 N -1.06 -1.43 -1.03 -1.24 3.00 -1.13 -5.01 116.66 108.77 2jhb n ARG 37 Ca 0.07 -0.39 -0.29 0.00 -0.01 0.00 0.00 57.85 57.22 2jhb n ARG 37 Cb 0.04 -1.82 0.17 0.00 0.00 0.00 0.00 32.46 30.86 2jhb n ARG 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2jhb s PRO 38 N -3.65 0.63 0.97 5.56 0.04 -1.26 -5.03 135.00 132.26 2jhb s PRO 38 Ca 0.58 0.82 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 2jhb s PRO 38 Cb -0.16 -1.74 0.24 0.00 0.04 0.00 0.00 34.50 32.89 2jhb s PRO 38 CO 0.66 -2.67 0.88 1.58 0.04 0.00 0.00 177.00 177.49 2jhb n HIS 39 N -4.18 -3.72 -0.82 0.56 -0.00 -1.26 -4.54 115.22 101.26 2jhb n HIS 39 Ca 0.06 -0.80 0.00 0.00 0.46 0.00 0.00 57.72 57.45 2jhb n HIS 39 Cb 0.55 -0.91 0.00 0.00 -0.12 0.00 0.00 29.99 29.52 2jhb n HIS 39 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2jhb n GLU 40 N -4.14 0.00 -1.14 1.57 4.07 -1.26 -4.64 120.64 115.10 2jhb n GLU 40 Ca 0.12 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2jhb n GLU 40 Cb 0.47 -2.22 -0.01 0.00 -0.06 0.00 0.00 31.44 29.62 2jhb n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2jhb n GLU 41 N -2.36 0.00 -0.10 5.31 4.07 -1.26 -4.99 120.64 121.31 2jhb n GLU 41 Ca 0.00 -1.40 -0.14 0.00 -0.06 0.00 0.00 57.16 55.56 2jhb n GLU 41 Cb 0.00 0.11 -0.14 0.00 -0.06 0.00 0.00 31.44 31.36 2jhb n GLU 41 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2jhb n ARG 42 N 0.24 0.67 -0.12 5.31 1.74 -1.26 -4.46 116.66 118.78 2jhb n ARG 42 Ca -0.07 0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 2jhb n ARG 42 Cb 0.90 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 30.75 2jhb n ARG 42 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2jhb h GLN 43 N 0.01 0.60 -0.04 5.56 7.50 -1.94 0.27 115.11 127.06 2jhb h GLN 43 Ca -0.53 -0.17 -0.25 0.00 0.50 0.00 0.00 58.65 58.21 2jhb h GLN 43 Cb 2.06 -0.07 0.02 0.00 0.05 0.00 0.00 27.48 29.54 2jhb h GLN 43 CO -0.01 0.68 -0.95 1.15 -1.50 0.00 0.00 178.83 178.20 2jhb h THR 44 N 0.43 1.29 -0.62 -0.54 2.02 -1.99 -3.09 112.91 110.41 2jhb h THR 44 Ca 0.11 -2.19 0.08 0.00 0.77 0.00 0.00 66.41 65.17 2jhb h THR 44 Cb 0.38 2.27 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 2jhb h THR 44 CO 0.01 0.68 0.41 -0.09 0.37 0.00 0.00 175.52 176.90 2jhb h ARG 45 N 0.42 0.52 -0.05 6.66 9.65 -1.69 -1.54 114.38 128.34 2jhb h ARG 45 Ca -0.10 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2jhb h ARG 45 Cb 1.60 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 30.04 2jhb h ARG 45 CO 0.19 0.35 -0.05 0.35 2.80 0.00 0.00 179.97 183.60 2jhb h PHE 46 N 0.54 -0.12 -0.61 2.20 3.57 -0.39 0.29 116.94 122.43 2jhb h PHE 46 Ca 0.27 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 2jhb h PHE 46 Cb 0.38 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2jhb h PHE 46 CO -0.00 -0.08 0.13 1.96 -2.23 0.00 0.00 178.31 178.09 2jhb h GLN 47 N -0.06 0.96 -0.11 1.11 7.50 -1.39 -0.18 115.11 122.93 2jhb h GLN 47 Ca 0.04 -0.22 -0.15 0.00 0.50 0.00 0.00 58.65 58.82 2jhb h GLN 47 Cb 0.12 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 2jhb h GLN 47 CO -0.09 0.87 -0.58 -0.91 -1.50 0.00 0.00 178.83 176.61 2jhb h ASN 48 N 0.92 0.41 1.19 1.46 2.35 -0.42 0.26 115.58 121.75 2jhb h ASN 48 Ca 0.19 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 2jhb h ASN 48 Cb 0.35 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2jhb h ASN 48 CO 0.00 0.90 -0.43 0.00 -1.65 0.00 0.00 177.43 176.25 2jhb h ALA 49 N 1.10 0.82 -0.35 -0.83 0.00 -0.37 0.67 119.26 120.30 2jhb h ALA 49 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2jhb h ALA 49 Cb 1.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2jhb h ALA 49 CO 0.10 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.97 2jhb h ARG 51 N 0.41 0.38 0.00 0.00 1.12 -0.56 -0.67 114.38 115.06 2jhb h ARG 51 Ca 0.11 -0.15 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 2jhb h ARG 51 Cb 0.31 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 2jhb h ARG 51 CO 0.00 0.64 0.04 -0.25 -3.11 0.00 0.00 179.97 177.30 2jhb n ASP 52 N -4.11 0.27 0.00 -3.80 9.92 0.19 -1.54 116.55 117.49 2jhb n ASP 52 Ca -0.01 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 2jhb n ASP 52 Cb 0.42 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 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 -1.38 0.39 3.55 0.44 0.00 -0.26 -0.56 105.19 107.38 2jhb n GLY 53 Ca -0.01 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 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 0.46 -0.36 1.61 -4.01 -1.26 -4.58 116.66 108.51 2jhb n ARG 54 Ca 0.00 0.20 0.00 0.00 -1.04 0.00 0.00 57.85 57.01 2jhb n ARG 54 Cb 0.00 -2.04 0.00 0.00 -3.04 0.00 0.00 32.46 27.38 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 -0.98 0.00 -3.71 2.89 2.88 0.72 -4.95 113.62 110.47 2jhb n SER 55 Ca 0.12 -0.20 -0.26 0.00 -1.33 0.00 0.00 58.87 57.20 2jhb n SER 55 Cb 0.49 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.41 0.48 0.04 -1.46 2.02 -1.26 -0.61 118.70 118.33 2jhb s GLU 56 Ca 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 54.97 54.80 2jhb s GLU 56 Cb 0.00 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.40 2jhb s GLU 56 CO 0.00 -0.58 -0.13 0.42 0.02 0.00 0.00 175.26 174.99 2jhb s ILE 57 N 1.95 0.99 0.36 -1.63 1.01 -0.15 -0.68 121.20 123.05 2jhb s ILE 57 Ca 0.01 -1.03 0.09 0.00 0.00 0.00 0.00 60.65 59.72 2jhb s ILE 57 Cb -0.16 -0.93 -0.07 0.00 0.01 0.00 0.00 42.46 41.32 2jhb s ILE 57 CO -0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 174.94 174.70 2jhb s ALA 58 N -0.97 2.97 0.62 9.38 0.00 0.92 -0.90 121.76 133.78 2jhb s ALA 58 Ca -0.01 -2.13 0.02 0.00 0.00 0.00 0.00 51.96 49.84 2jhb s ALA 58 Cb -0.08 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.13 2jhb s ALA 58 CO 0.01 0.03 0.86 -0.06 0.00 0.00 0.00 175.76 176.60 2jhb s PHE 59 N -2.65 2.13 -0.09 0.00 0.40 -0.75 -0.70 117.98 116.32 2jhb s PHE 59 Ca 0.33 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2jhb s PHE 59 Cb 0.04 -2.77 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 2jhb s PHE 59 CO 0.17 -1.24 -0.10 0.28 0.70 0.00 0.00 175.22 175.02 2jhb n VAL 60 N -2.52 0.48 0.16 -0.44 0.31 0.07 -3.11 118.33 113.29 2jhb n VAL 60 Ca 0.12 -0.14 0.18 0.00 -0.01 0.00 0.00 64.34 64.49 2jhb n VAL 60 Cb 0.60 -1.38 0.79 0.00 -0.91 0.00 0.00 33.84 32.95 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 -0.22 1.94 0.00 3.52 0.00 -1.94 -3.23 119.26 119.32 2jhb h ALA 61 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jhb h ALA 61 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jhb h ALA 61 CO -0.10 -0.41 -0.58 0.25 0.00 0.00 0.00 179.25 178.40 2jhb n THR 62 N -3.83 0.00 -2.86 0.00 -2.24 -1.26 -5.07 114.28 99.02 2jhb n THR 62 Ca 0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 2jhb n THR 62 Cb 0.42 -0.46 0.06 0.00 -2.10 0.00 0.00 70.33 68.24 2jhb n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jhb n GLY 63 N 2.25 -0.49 3.54 3.38 0.00 -1.18 -5.01 105.19 107.68 2jhb n GLY 63 Ca 0.00 0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.28 5.27 -0.14 2.61 2.01 -1.26 -4.86 115.64 115.99 2jhb s THR 64 Ca 0.25 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 2jhb s THR 64 Cb -0.03 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 2jhb s THR 64 CO 0.54 -0.01 1.90 0.21 -0.69 0.00 0.00 174.62 176.57 2jhb s ASN 65 N 1.73 6.14 0.17 3.53 3.84 -1.26 -1.80 114.94 127.28 2jhb s ASN 65 Ca 0.07 2.03 0.09 0.00 0.21 0.00 0.00 52.86 55.26 2jhb s ASN 65 Cb -0.17 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 37.96 2jhb s ASN 65 CO 0.11 -1.39 -0.10 -1.48 -2.79 0.00 0.00 177.10 171.45 2jhb s LEU 66 N 5.84 2.97 -0.48 3.21 -0.00 -0.08 -4.98 118.68 125.17 2jhb s LEU 66 Ca 0.85 -0.56 -0.14 0.00 -0.00 0.00 0.00 54.13 54.28 2jhb s LEU 66 Cb -0.33 -1.67 0.09 0.00 -0.00 0.00 0.00 46.19 44.28 2jhb s LEU 66 CO 0.35 0.11 0.39 -0.44 -0.00 0.00 0.00 176.35 176.76 2jhb s SER 67 N -2.73 6.05 0.55 1.48 0.01 -1.26 -0.98 113.70 116.82 2jhb s SER 67 Ca 0.24 -1.47 -0.18 0.00 1.31 0.00 0.00 55.95 55.85 2jhb s SER 67 Cb -0.09 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 2jhb s SER 67 CO 0.15 -0.67 1.06 -0.76 0.41 0.00 0.00 173.24 173.43 2jhb s LEU 68 N 1.59 3.65 -0.33 2.44 1.43 0.22 -4.81 118.68 122.87 2jhb s LEU 68 Ca 0.04 1.92 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 2jhb s LEU 68 Cb -0.25 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.54 2jhb s LEU 68 CO 0.05 -1.06 0.17 -1.10 0.23 0.00 0.00 176.35 174.63 2jhb s GLN 69 N -3.66 0.49 -1.59 1.70 -0.21 -1.26 -0.20 119.66 114.94 2jhb s GLN 69 Ca 0.66 -1.05 -0.09 0.00 0.02 0.00 0.00 55.36 54.90 2jhb s GLN 69 Cb -0.18 -1.41 -0.06 0.00 1.00 0.00 0.00 33.01 32.36 2jhb s GLN 69 CO 0.30 -1.11 2.88 1.19 -2.12 0.00 0.00 175.29 176.43 2jhb n PHE 70 N 4.55 2.45 -3.99 0.91 3.01 -1.26 -3.81 117.46 119.32 2jhb n PHE 70 Ca 0.03 -3.06 -0.31 0.00 1.01 0.00 0.00 57.45 55.12 2jhb n PHE 70 Cb 0.39 -2.41 -0.15 0.00 -0.01 0.00 0.00 39.48 37.30 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 2jhb s PHE 71 N 1.73 3.13 0.00 1.38 -0.71 -1.26 -4.87 117.98 117.38 2jhb s PHE 71 Ca 0.68 -2.42 0.00 0.00 -1.04 0.00 0.00 56.93 54.15 2jhb s PHE 71 Cb 0.18 -2.23 0.00 0.00 -1.21 0.00 0.00 43.02 39.76 2jhb s PHE 71 CO -0.06 -0.89 0.00 -0.35 -1.34 0.00 0.00 175.22 172.58 2jhb n PRO 72 N 4.45 2.04 0.12 1.99 -0.04 -1.26 -4.47 135.00 137.83 2jhb n PRO 72 Ca -0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.21 2jhb n PRO 72 Cb 0.42 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.75 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 -2.00 0.01 -2.22 0.55 0.00 -1.99 -3.43 119.26 110.18 2jhb h ALA 73 Ca 0.00 -0.85 -0.76 0.00 0.00 0.00 0.00 54.91 53.30 2jhb h ALA 73 Cb 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 17.79 17.63 2jhb h ALA 73 CO 0.00 0.82 -0.14 -1.12 0.00 0.00 0.00 179.25 178.82 2jhb s SER 74 N -7.34 6.30 0.07 0.00 0.01 -1.26 -5.03 113.70 106.45 2jhb s SER 74 Ca -0.07 -1.95 -0.06 0.00 1.31 0.00 0.00 55.95 55.19 2jhb s SER 74 Cb 0.06 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 64.06 2jhb s SER 74 CO 0.91 -0.82 0.11 -1.66 0.41 0.00 0.00 173.24 172.20 2jhb s TRP 75 N 1.39 0.25 -0.03 2.43 1.48 -1.26 -5.07 118.94 118.13 2jhb s TRP 75 Ca 0.06 -0.68 -0.24 0.00 -1.06 0.00 0.00 56.10 54.19 2jhb s TRP 75 Cb -0.26 -0.16 -0.22 0.00 -1.16 0.00 0.00 33.47 31.67 2jhb s TRP 75 CO 0.01 -0.46 1.09 -0.56 -4.06 0.00 0.00 176.95 172.97 2jhb h GLN 76 N 3.06 0.21 0.00 3.25 -0.00 -1.96 -3.49 115.11 116.18 2jhb h GLN 76 Ca -0.34 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 2jhb h GLN 76 Cb 1.18 0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 2jhb h GLN 76 CO 0.57 0.89 0.00 0.41 -0.00 0.00 0.00 178.83 180.70 2jhb n GLY 77 N 0.89 -1.37 3.19 0.06 0.00 -1.26 -5.12 105.19 101.59 2jhb n GLY 77 Ca -0.09 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 2jhb n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jhb s GLU 78 N 0.00 0.97 -0.19 1.61 2.12 -1.26 -4.96 118.70 117.00 2jhb s GLU 78 Ca 0.00 -1.45 -0.00 0.00 0.36 0.00 0.00 54.97 53.88 2jhb s GLU 78 Cb 0.00 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.31 2jhb s GLU 78 CO 0.00 -0.15 0.00 0.94 -0.54 0.00 0.00 175.26 175.52 2jhb n GLN 79 N -0.14 -2.27 -1.59 4.30 7.27 0.28 -4.91 117.38 120.31 2jhb n GLN 79 Ca -0.08 2.02 -0.49 0.00 0.07 0.00 0.00 57.00 58.53 2jhb n GLN 79 Cb 0.63 -3.65 -0.04 0.00 2.41 0.00 0.00 30.24 29.59 2jhb n GLN 79 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2jhb n ARG 80 N 0.97 1.31 0.19 3.69 5.12 -0.59 -4.87 116.66 122.48 2jhb n ARG 80 Ca -0.01 0.47 0.09 0.00 -1.93 0.00 0.00 57.85 56.47 2jhb n ARG 80 Cb 0.20 -2.01 0.18 0.00 -1.16 0.00 0.00 32.46 29.67 2jhb n ARG 80 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 2jhb h GLN 81 N 3.69 0.00 -1.27 5.56 3.07 -1.91 -3.44 115.11 120.82 2jhb h GLN 81 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 2jhb h GLN 81 Cb 1.33 0.00 -0.24 0.00 0.08 0.00 0.00 27.48 28.65 2jhb h GLN 81 CO 0.72 0.21 -0.36 0.99 0.09 0.00 0.00 178.83 180.48 2jhb s THR 82 N -3.19 -0.88 1.32 1.86 2.01 -1.26 -5.17 115.64 110.33 2jhb s THR 82 Ca 0.05 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 2jhb s THR 82 Cb 0.07 -0.96 0.33 0.00 0.01 0.00 0.00 72.50 71.95 2jhb s THR 82 CO 0.69 -0.05 1.01 -2.84 -0.69 0.00 0.00 174.62 172.73 2jhb s PRO 83 N 2.76 -2.18 0.71 4.92 0.02 -1.26 -5.07 135.00 134.90 2jhb s PRO 83 Ca 0.16 0.07 -0.11 0.00 0.02 0.00 0.00 61.00 61.14 2jhb s PRO 83 Cb -0.14 -1.47 0.02 0.00 0.02 0.00 0.00 34.50 32.92 2jhb s PRO 83 CO -0.21 -4.37 1.08 -1.12 -0.33 0.00 0.00 177.00 172.05 2jhb s SER 84 N -3.45 5.35 0.17 2.53 0.01 -1.26 -4.93 113.70 112.12 2jhb s SER 84 Ca 0.70 1.25 -0.18 0.00 1.31 0.00 0.00 55.95 59.03 2jhb s SER 84 Cb -0.12 -2.08 0.11 0.00 0.21 0.00 0.00 66.02 64.14 2jhb s SER 84 CO 0.57 -1.42 1.65 -0.09 0.41 0.00 0.00 173.24 174.36 2jhb h ARG 85 N -0.71 -0.07 -0.00 12.44 2.43 -1.79 -2.42 114.38 124.26 2jhb h ARG 85 Ca -0.45 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.54 2jhb h ARG 85 Cb 1.24 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 2jhb h ARG 85 CO 0.62 -0.05 -0.82 1.49 -1.51 0.00 0.00 179.97 179.71 2jhb h GLU 86 N -0.07 0.12 0.31 0.20 4.57 -1.94 -3.33 114.58 114.44 2jhb h GLU 86 Ca 0.21 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2jhb h GLU 86 Cb 0.39 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2jhb h GLU 86 CO -0.47 0.87 -0.15 1.88 -1.18 0.00 0.00 179.01 179.96 2jhb h TYR 87 N 0.07 -0.39 -3.35 0.92 -1.99 -1.65 -2.96 116.97 107.62 2jhb h TYR 87 Ca -0.03 -0.01 -0.16 0.00 2.00 0.00 0.00 58.73 60.54 2jhb h TYR 87 Cb 1.43 0.13 -0.23 0.00 2.00 0.00 0.00 36.73 40.05 2jhb h TYR 87 CO 0.02 -0.13 -0.47 0.08 -0.00 0.00 0.00 178.16 177.66 2jhb s VAL 88 N -3.31 0.04 -0.15 -2.88 1.01 -0.95 -2.58 120.40 111.58 2jhb s VAL 88 Ca -0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2jhb s VAL 88 Cb 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2jhb s VAL 88 CO 0.31 -0.20 0.04 -0.67 0.00 0.00 0.00 175.10 174.58 2jhb n ASP 89 N 2.11 -4.11 0.00 3.32 2.03 -1.25 -4.34 116.55 114.31 2jhb n ASP 89 Ca -0.18 0.79 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2jhb n ASP 89 Cb 0.57 -3.41 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 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 0.55 0.00 -2.71 -2.67 -0.00 -1.25 -4.51 117.00 106.41 2jhb n LEU 90 Ca -0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.87 2jhb n LEU 90 Cb 0.11 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.63 2jhb n LEU 90 CO 0.24 0.00 0.46 1.21 -0.00 0.00 0.00 177.39 179.30 2jhb n GLU 91 N 0.00 1.04 -3.11 1.47 2.13 -1.26 -5.06 120.64 115.85 2jhb n GLU 91 Ca 0.00 -1.77 -0.03 0.00 0.66 0.00 0.00 57.16 56.02 2jhb n GLU 91 Cb 0.00 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 31.28 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 -0.18 -1.11 -0.96 5.31 5.12 -1.26 -4.98 116.66 118.60 2jhb n ARG 92 Ca -0.01 1.27 -0.30 0.00 -1.93 0.00 0.00 57.85 56.87 2jhb n ARG 92 Cb 0.78 -2.07 0.26 0.00 -1.16 0.00 0.00 32.46 30.26 2jhb n ARG 92 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jhb s GLU 93 N -1.28 -1.81 -0.87 5.56 2.56 -0.95 -4.76 118.70 117.15 2jhb s GLU 93 Ca 0.04 -0.16 -0.23 0.00 0.00 0.00 0.00 54.97 54.62 2jhb s GLU 93 Cb -0.00 -1.54 -0.19 0.00 2.00 0.00 0.00 34.13 34.40 2jhb s GLU 93 CO 0.25 -4.08 2.13 0.00 -0.56 0.00 0.00 175.26 173.00 2jhb n ALA 94 N -5.01 0.34 -1.06 6.30 0.00 -1.26 -2.67 120.51 117.15 2jhb n ALA 94 Ca 0.15 -1.69 -0.07 0.00 0.00 0.00 0.00 53.44 51.83 2jhb n ALA 94 Cb 0.60 -2.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 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 6.20 0.62 3.33 0.00 0.00 -1.26 -4.92 105.19 109.16 2jhb n GLY 95 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.30 1.37 0.11 1.61 -2.85 -1.09 -1.02 119.74 115.58 2jhb s LYS 96 Ca 0.00 -1.71 0.10 0.00 -1.00 0.00 0.00 55.97 53.36 2jhb s LYS 96 Cb 0.00 -0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 35.24 2jhb s LYS 96 CO 0.00 -0.17 -0.25 0.54 0.10 0.00 0.00 175.35 175.57 2jhb s VAL 97 N -3.54 2.08 0.44 1.79 0.11 -0.07 -2.24 120.40 118.97 2jhb s VAL 97 Ca 0.32 -1.66 -0.08 0.00 -2.93 0.00 0.00 61.98 57.62 2jhb s VAL 97 Cb 0.07 -1.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.01 2jhb s VAL 97 CO 0.10 0.07 0.78 -0.31 -3.33 0.00 0.00 175.10 172.41 2jhb s TYR 98 N -1.07 3.51 0.05 1.54 1.51 -1.26 -0.72 117.35 120.91 2jhb s TYR 98 Ca 0.12 0.95 -0.09 0.00 -1.01 0.00 0.00 57.07 57.04 2jhb s TYR 98 Cb -0.10 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 2jhb s TYR 98 CO 0.05 -0.18 0.19 -0.51 -1.11 0.00 0.00 175.55 173.99 2jhb s LEU 99 N -4.20 1.40 -0.28 -1.29 1.43 0.10 -4.69 118.68 111.15 2jhb s LEU 99 Ca 0.50 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 2jhb s LEU 99 Cb -0.10 0.96 0.09 0.00 0.03 0.00 0.00 46.19 47.17 2jhb s LEU 99 CO 0.37 -0.59 0.85 -0.75 0.23 0.00 0.00 176.35 176.46 2jhb s LYS 100 N -2.84 0.69 -0.29 1.70 2.20 -1.07 -1.74 119.74 118.40 2jhb s LYS 100 Ca -0.03 0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 56.41 2jhb s LYS 100 Cb 0.00 0.33 0.18 0.00 -1.51 0.00 0.00 37.83 36.84 2jhb s LYS 100 CO -0.05 -0.08 0.57 0.00 -0.36 0.00 0.00 175.35 175.42 2jhb s ALA 101 N 0.36 -2.09 -0.13 3.13 0.00 -0.13 -4.37 121.76 118.53 2jhb s ALA 101 Ca 0.01 1.66 -0.29 0.00 0.00 0.00 0.00 51.96 53.34 2jhb s ALA 101 Cb -0.05 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 2jhb s ALA 101 CO -0.03 -1.35 1.39 -1.25 0.00 0.00 0.00 175.76 174.53 2jhb s PRO 102 N 2.81 4.22 0.79 0.00 0.04 -1.25 -1.07 135.00 140.54 2jhb s PRO 102 Ca 0.19 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 2jhb s PRO 102 Cb -0.15 -3.83 0.13 0.00 0.04 0.00 0.00 34.50 30.69 2jhb s PRO 102 CO -0.21 -0.75 1.11 -1.64 0.04 0.00 0.00 177.00 175.55 2jhb s MET 103 N 3.65 1.52 -0.11 4.56 -1.94 0.53 -4.56 119.30 122.95 2jhb s MET 103 Ca 0.61 -0.59 -0.04 0.00 -1.71 0.00 0.00 55.69 53.96 2jhb s MET 103 Cb -0.26 -2.12 0.06 0.00 2.01 0.00 0.00 34.83 34.52 2jhb s MET 103 CO 0.20 -1.69 0.15 0.42 -0.01 0.00 0.00 175.02 174.08 2jhb s ILE 104 N -3.42 -0.23 0.00 2.53 1.01 -1.26 -3.79 121.20 116.04 2jhb s ILE 104 Ca 0.67 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.51 2jhb s ILE 104 Cb -0.07 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.01 2jhb s ILE 104 CO 0.47 0.02 0.00 0.18 0.00 0.00 0.00 174.94 175.61 2jhb n LEU 105 N 5.31 0.00 0.14 2.97 7.99 -1.21 -4.84 117.00 127.37 2jhb n LEU 105 Ca -0.05 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.06 2jhb n LEU 105 Cb 0.50 0.00 0.53 0.00 -0.11 0.00 0.00 43.42 44.33 2jhb n LEU 105 CO 0.06 0.00 0.83 0.59 -1.51 0.00 0.00 177.39 177.36 2jhb n ASN 106 N 0.00 0.59 0.00 -1.43 3.02 -1.26 -4.66 115.26 111.52 2jhb n ASN 106 Ca 0.00 0.71 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 2jhb n ASN 106 Cb 0.00 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 2jhb n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jhb n GLY 107 N -0.66 0.69 2.83 7.41 0.00 -1.26 -4.43 105.19 109.76 2jhb n GLY 107 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.03 0.50 -1.11 1.61 1.01 -1.26 -0.34 120.40 119.77 2jhb s VAL 108 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 2jhb s VAL 108 Cb 0.00 -0.59 0.19 0.00 0.00 0.00 0.00 36.38 35.98 2jhb s VAL 108 CO 0.00 0.26 1.25 0.00 0.00 0.00 0.00 175.10 176.61 2jhb s VAL 110 N 1.02 4.76 -0.20 0.00 -7.23 -1.25 -3.06 120.40 114.44 2jhb s VAL 110 Ca 0.36 0.67 -0.15 0.00 -1.81 0.00 0.00 61.98 61.06 2jhb s VAL 110 Cb -0.05 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 2jhb s VAL 110 CO -0.04 -0.80 0.33 -0.63 -0.31 0.00 0.00 175.10 173.65 2jhb s ILE 111 N -2.72 5.25 -0.06 -0.62 1.01 0.15 -0.34 121.20 123.87 2jhb s ILE 111 Ca 0.52 0.59 -0.22 0.00 0.00 0.00 0.00 60.65 61.54 2jhb s ILE 111 Cb -0.10 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2jhb s ILE 111 CO 0.41 0.30 0.66 0.86 0.00 0.00 0.00 174.94 177.17 2jhb s TRP 112 N 1.04 3.60 0.18 3.97 -0.00 -0.24 -0.04 118.94 127.46 2jhb s TRP 112 Ca 0.17 1.20 0.03 0.00 -0.00 0.00 0.00 56.10 57.50 2jhb s TRP 112 Cb -0.14 -2.74 -0.05 0.00 -0.00 0.00 0.00 33.47 30.54 2jhb s TRP 112 CO 0.06 0.16 -0.03 -1.59 -0.00 0.00 0.00 176.95 175.55 2jhb s LYS 113 N 0.55 1.17 0.00 5.86 -2.85 -0.41 -0.96 119.74 123.10 2jhb s LYS 113 Ca 0.35 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 2jhb s LYS 113 Cb -0.18 -0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.11 2jhb s LYS 113 CO 0.17 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.97 2jhb n GLY 114 N -0.28 -1.56 3.08 0.59 0.00 -0.71 -0.87 105.19 105.44 2jhb n GLY 114 Ca -0.07 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.24 2.85 -0.49 1.61 -2.14 0.73 -0.72 118.94 118.54 2jhb s TRP 115 Ca 0.00 -1.83 -0.21 0.00 2.66 0.00 0.00 56.10 56.71 2jhb s TRP 115 Cb 0.00 -1.86 0.04 0.00 -3.10 0.00 0.00 33.47 28.55 2jhb s TRP 115 CO 0.00 -0.81 0.73 0.42 -2.66 0.00 0.00 176.95 174.63 2jhb s ILE 116 N 1.26 4.71 0.38 0.66 -1.09 0.10 -1.21 121.20 126.01 2jhb s ILE 116 Ca -0.00 -0.00 -0.28 0.00 -2.23 0.00 0.00 60.65 58.13 2jhb s ILE 116 Cb -0.16 -4.33 -0.11 0.00 -1.58 0.00 0.00 42.46 36.28 2jhb s ILE 116 CO -0.10 -0.81 1.49 -0.62 -1.23 0.00 0.00 174.94 173.67 2jhb s ASP 117 N 2.45 6.34 0.08 3.58 -1.08 -0.14 -0.89 116.67 127.01 2jhb s ASP 117 Ca 0.23 3.05 0.20 0.00 -0.52 0.00 0.00 52.55 55.51 2jhb s ASP 117 Cb -0.15 -2.67 0.83 0.00 -1.46 0.00 0.00 42.92 39.47 2jhb s ASP 117 CO 0.17 -0.88 1.63 0.18 0.52 0.00 0.00 175.17 176.79 2jhb n LEU 118 N 0.45 0.24 0.25 -1.34 4.77 -0.19 -1.75 117.00 119.43 2jhb n LEU 118 Ca 0.01 0.55 0.10 0.00 -0.03 0.00 0.00 56.01 56.64 2jhb n LEU 118 Cb 0.39 -0.50 0.66 0.00 -2.33 0.00 0.00 43.42 41.63 2jhb n LEU 118 CO 0.64 -0.28 0.97 1.12 -1.33 0.00 0.00 177.39 178.50 2jhb h HIS 119 N 0.00 0.00 0.00 -1.77 2.07 -1.87 -3.34 115.15 110.24 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 0.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.34 2jhb h HIS 119 CO 0.00 0.12 0.00 -2.13 -3.07 0.00 0.00 177.93 172.85 2jhb n ARG 120 N -3.99 0.00 -3.28 5.12 0.63 -1.25 -4.99 116.66 108.89 2jhb n ARG 120 Ca -0.02 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.74 2jhb n ARG 120 Cb 0.21 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.18 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 -3.16 -4.76 6.15 7.99 -0.72 -4.77 117.00 117.73 2jhb n LEU 121 Ca 0.00 -0.42 -0.26 0.00 -0.01 0.00 0.00 56.01 55.32 2jhb n LEU 121 Cb 0.24 -2.43 -0.07 0.00 -0.11 0.00 0.00 43.42 41.05 2jhb n LEU 121 CO 0.00 0.46 -0.14 -1.81 -1.51 0.00 0.00 177.39 174.39 2jhb s ASP 122 N -3.40 4.43 0.00 -1.43 1.01 -1.22 -0.15 116.67 115.90 2jhb s ASP 122 Ca 0.36 -1.15 0.00 0.00 0.71 0.00 0.00 52.55 52.47 2jhb s ASP 122 Cb -0.16 -0.29 0.00 0.00 1.01 0.00 0.00 42.92 43.48 2jhb s ASP 122 CO 0.55 -0.64 0.00 0.61 0.21 0.00 0.00 175.17 175.90 2jhb n GLY 123 N -1.30 -0.54 3.20 0.21 0.00 -0.24 -0.96 105.19 105.55 2jhb n GLY 123 Ca -0.03 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.76 1.18 0.13 1.61 -1.94 -0.35 -0.64 119.30 117.53 2jhb s MET 124 Ca 0.00 -0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 52.96 2jhb s MET 124 Cb 0.00 -1.24 0.06 0.00 2.01 0.00 0.00 34.83 35.66 2jhb s MET 124 CO 0.00 0.31 0.83 0.41 -0.01 0.00 0.00 175.02 176.56 2jhb n GLY 125 N 1.88 0.71 1.57 -0.03 0.00 0.17 -0.19 105.19 109.30 2jhb n GLY 125 Ca -0.17 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 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 4.14 0.00 0.00 1.43 -1.25 -1.29 118.68 121.71 2jhb s LEU 127 Ca 0.08 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2jhb s LEU 127 Cb -0.01 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 2jhb s LEU 127 CO 0.03 -0.25 0.36 1.21 0.23 0.00 0.00 176.35 177.93 2jhb n GLU 128 N -1.56 0.51 -5.23 1.70 2.13 0.95 -4.54 120.64 114.61 2jhb n GLU 128 Ca -0.05 -3.10 -0.31 0.00 0.66 0.00 0.00 57.16 54.36 2jhb n GLU 128 Cb 0.57 2.69 -0.16 0.00 0.27 0.00 0.00 31.44 34.82 2jhb n GLU 128 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2jhb s PHE 129 N -3.18 2.29 -0.50 4.31 5.36 -1.26 -0.68 117.98 124.33 2jhb s PHE 129 Ca 0.36 -0.58 -0.06 0.00 -0.96 0.00 0.00 56.93 55.69 2jhb s PHE 129 Cb 0.01 -1.50 0.13 0.00 -0.34 0.00 0.00 43.02 41.32 2jhb s PHE 129 CO 0.25 -0.14 0.33 0.34 -1.46 0.00 0.00 175.22 174.55 2jhb s ASP 130 N -0.32 5.50 0.21 6.13 -1.08 -1.17 -4.77 116.67 121.17 2jhb s ASP 130 Ca 0.02 -2.19 -0.09 0.00 -0.52 0.00 0.00 52.55 49.78 2jhb s ASP 130 Cb -0.12 -1.92 0.16 0.00 -1.46 0.00 0.00 42.92 39.58 2jhb s ASP 130 CO 0.02 -0.57 1.82 -0.08 0.52 0.00 0.00 175.17 176.87 2jhb h GLU 131 N 7.98 1.13 -0.19 4.34 4.81 -1.98 0.56 114.58 131.23 2jhb h GLU 131 Ca -0.13 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 58.78 2jhb h GLU 131 Cb 1.04 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2jhb h GLU 131 CO 0.77 0.86 -0.56 1.49 -0.73 0.00 0.00 179.01 180.83 2jhb h GLU 132 N 1.11 0.72 -0.37 1.92 4.81 -1.98 0.23 114.58 121.03 2jhb h GLU 132 Ca 0.28 -0.52 -0.08 0.00 -0.13 0.00 0.00 59.36 58.91 2jhb h GLU 132 Cb 0.08 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2jhb h GLU 132 CO -0.04 1.14 -0.11 0.00 -0.73 0.00 0.00 179.01 179.27 2jhb h ARG 133 N 0.43 0.64 -0.32 1.92 2.47 -1.92 -1.17 114.38 116.42 2jhb h ARG 133 Ca -0.02 -0.19 -0.17 0.00 -1.26 0.00 0.00 59.98 58.34 2jhb h ARG 133 Cb 1.18 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2jhb h ARG 133 CO 0.12 0.73 -0.48 0.00 0.56 0.00 0.00 179.97 180.91 2jhb h ALA 134 N 1.30 0.54 -0.88 0.04 0.00 -0.60 0.20 119.26 119.85 2jhb h ALA 134 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jhb h ALA 134 Cb 0.53 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2jhb h ALA 134 CO 0.03 0.68 0.56 1.96 0.00 0.00 0.00 179.25 182.49 2jhb h GLN 135 N 0.69 1.16 -0.09 0.00 4.20 -0.90 0.21 115.11 120.39 2jhb h GLN 135 Ca 0.03 -0.08 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 2jhb h GLN 135 Cb 1.07 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2jhb h GLN 135 CO 0.11 0.78 -0.70 0.37 -0.67 0.00 0.00 178.83 178.73 2jhb h GLN 136 N 1.19 0.42 0.00 1.46 4.15 -0.53 -2.25 115.11 119.55 2jhb h GLN 136 Ca 0.32 -0.32 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 2jhb h GLN 136 Cb -0.11 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2jhb h GLN 136 CO -0.07 0.96 -0.71 1.49 -1.93 0.00 0.00 178.83 178.57 2jhb h GLU 137 N 0.29 0.00 -0.61 1.69 4.57 -0.34 0.65 114.58 120.83 2jhb h GLU 137 Ca -0.02 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2jhb h GLU 137 Cb 1.26 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.82 2jhb h GLU 137 CO 0.12 0.71 0.39 -0.44 -1.18 0.00 0.00 179.01 178.60 2jhb h ASP 138 N 0.00 0.64 -0.33 1.04 5.19 -0.90 0.76 116.42 122.82 2jhb h ASP 138 Ca -0.01 -0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 2jhb h ASP 138 Cb 1.26 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.62 2jhb h ASP 138 CO 0.09 0.46 -0.38 0.00 -3.12 0.00 0.00 179.24 176.29 2jhb h ALA 139 N 1.25 0.49 0.00 3.45 0.00 -0.94 -3.20 119.26 120.31 2jhb h ALA 139 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jhb h ALA 139 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jhb h ALA 139 CO -0.08 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.68 2jhb h LEU 140 N 0.62 0.00 -3.85 0.00 3.38 -0.67 -1.58 115.31 113.21 2jhb h LEU 140 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2jhb h LEU 140 Cb 0.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2jhb h LEU 140 CO 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.56 2jhb n ALA 141 N -2.02 4.00 -3.86 1.53 0.00 0.24 -4.72 120.51 115.68 2jhb n ALA 141 Ca 0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 2jhb n ALA 141 Cb 0.34 -1.84 0.01 0.00 0.00 0.00 0.00 19.45 17.96 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 2.20 -2.30 0.00 0.00 6.02 -1.18 -4.98 117.38 117.14 2jhb n GLN 142 Ca 0.16 0.40 0.09 0.00 -0.01 0.00 0.00 57.00 57.64 2jhb n GLN 142 Cb 0.50 -4.23 0.07 0.00 1.02 0.00 0.00 30.24 27.60 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99