#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 1.09 -2.94 1.61 2.88 -1.26 -5.00 113.62 110.00 2jhb n SER 2 Ca 0.00 -2.01 -0.04 0.00 -1.33 0.00 0.00 58.87 55.49 2jhb n SER 2 Cb 0.00 -0.33 -0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2jhb n SER 2 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2jhb s MET 3 N -1.21 0.98 0.68 -1.46 -2.45 -1.26 -5.16 119.30 109.42 2jhb s MET 3 Ca 0.30 -0.86 -0.12 0.00 -1.25 0.00 0.00 55.69 53.77 2jhb s MET 3 Cb 0.36 -0.08 0.00 0.00 1.25 0.00 0.00 34.83 36.36 2jhb s MET 3 CO -0.12 -1.29 1.06 -1.25 1.05 0.00 0.00 175.02 174.47 2jhb s PRO 4 N 1.15 3.00 0.00 4.11 0.04 -1.26 -4.91 135.00 137.13 2jhb s PRO 4 Ca 0.25 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2jhb s PRO 4 Cb -0.02 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2jhb s PRO 4 CO -0.06 -1.05 0.00 -2.13 0.04 0.00 0.00 177.00 173.80 2jhb n ARG 5 N -2.95 0.00 -4.33 4.56 3.00 -1.26 -5.04 116.66 110.64 2jhb n ARG 5 Ca 0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.75 2jhb n ARG 5 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.89 2jhb n ARG 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jhb s VAL 6 N -0.64 1.05 0.88 5.15 -7.23 -1.26 -4.62 120.40 113.74 2jhb s VAL 6 Ca 0.00 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.01 2jhb s VAL 6 Cb 0.00 -2.36 0.16 0.00 0.56 0.00 0.00 36.38 34.74 2jhb s VAL 6 CO 0.00 -0.32 1.23 0.68 -0.31 0.00 0.00 175.10 176.38 2jhb s VAL 7 N -3.41 2.04 0.00 1.32 -7.23 -0.56 -4.88 120.40 107.69 2jhb s VAL 7 Ca 0.29 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2jhb s VAL 7 Cb 0.06 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2jhb s VAL 7 CO 0.09 0.00 0.68 -2.65 -0.31 0.00 0.00 175.10 172.91 2jhb n PRO 8 N -3.50 0.00 -3.56 4.82 -0.02 -1.26 -4.41 135.00 127.07 2jhb n PRO 8 Ca 0.13 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 2jhb n PRO 8 Cb 0.60 -1.18 -0.06 0.00 -0.02 0.00 0.00 33.50 32.83 2jhb n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jhb s ASP 9 N -2.42 5.94 0.29 2.55 -1.08 -1.26 -4.92 116.67 115.77 2jhb s ASP 9 Ca 0.00 -2.99 0.03 0.00 -0.52 0.00 0.00 52.55 49.06 2jhb s ASP 9 Cb 0.00 -1.99 0.60 0.00 -1.46 0.00 0.00 42.92 40.07 2jhb s ASP 9 CO 0.00 -0.40 1.83 1.56 0.52 0.00 0.00 175.17 178.69 2jhb h GLN 10 N 7.07 0.92 -0.20 4.34 4.20 -1.90 -0.17 115.11 129.38 2jhb h GLN 10 Ca 0.06 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 2jhb h GLN 10 Cb 0.95 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2jhb h GLN 10 CO 0.76 0.61 -0.44 -0.09 -0.67 0.00 0.00 178.83 178.99 2jhb h ARG 11 N 0.95 0.65 0.00 1.46 9.65 -1.98 0.96 114.38 126.07 2jhb h ARG 11 Ca 0.50 -0.43 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 2jhb h ARG 11 Cb 0.55 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.19 2jhb h ARG 11 CO -0.27 1.05 -0.15 1.03 2.80 0.00 0.00 179.97 184.43 2jhb h SER 12 N 0.33 0.00 -0.37 -3.80 0.87 -1.94 -1.57 113.55 107.07 2jhb h SER 12 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2jhb h SER 12 Cb 1.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2jhb h SER 12 CO 0.10 0.15 0.07 0.50 -0.53 0.00 0.00 176.83 177.12 2jhb h LYS 13 N 0.00 0.61 0.00 2.24 1.63 -0.26 -0.96 116.57 119.83 2jhb h LYS 13 Ca -0.00 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2jhb h LYS 13 Cb 0.34 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2jhb h LYS 13 CO 0.02 0.66 0.00 0.34 -3.45 0.00 0.00 179.45 177.02 2jhb n PHE 14 N -4.57 0.00 0.14 1.91 7.35 0.26 -0.60 117.46 121.96 2jhb n PHE 14 Ca -0.01 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.70 2jhb n PHE 14 Cb 0.22 -0.22 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 2jhb n PHE 14 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 2jhb n GLU 15 N -1.22 3.43 -0.01 -4.13 0.28 -1.05 -4.83 120.64 113.11 2jhb n GLU 15 Ca 0.02 -0.02 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jhb n GLU 15 Cb 0.02 -0.88 -0.00 0.00 1.43 0.00 0.00 31.44 32.02 2jhb n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2jhb h ASN 16 N 0.00 0.00 -1.47 -1.84 2.35 0.55 -3.48 115.58 111.69 2jhb h ASN 16 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 2jhb h ASN 16 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2jhb h ASN 16 CO 0.00 0.12 1.27 -0.62 -1.65 0.00 0.00 177.43 176.55 2jhb n GLU 17 N -2.63 1.44 0.34 0.81 -0.58 -0.27 -4.82 120.64 114.93 2jhb n GLU 17 Ca -0.01 0.46 0.19 0.00 -0.42 0.00 0.00 57.16 57.39 2jhb n GLU 17 Cb 0.03 -2.52 1.03 0.00 -0.57 0.00 0.00 31.44 29.40 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 11.04 0.00 -0.02 3.49 4.81 -1.93 -2.45 114.58 129.52 2jhb h GLU 18 Ca -0.37 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2jhb h GLU 18 Cb 1.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 2jhb h GLU 18 CO 0.99 0.00 0.01 0.35 -0.73 0.00 0.00 179.01 179.63 2jhb h PHE 19 N 0.00 0.03 0.00 0.92 3.04 -2.00 -3.10 116.94 115.83 2jhb h PHE 19 Ca 0.00 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 2jhb h PHE 19 Cb 0.32 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 2jhb h PHE 19 CO 0.00 0.16 -0.38 0.27 -2.02 0.00 0.00 178.31 176.34 2jhb h PHE 20 N -0.11 0.00 -0.11 0.41 -5.15 -1.82 -2.81 116.94 107.35 2jhb h PHE 20 Ca 0.01 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.71 2jhb h PHE 20 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.30 2jhb h PHE 20 CO -0.03 0.38 -0.25 0.00 -2.00 0.00 0.00 178.31 176.41 2jhb h ARG 21 N 0.00 0.19 -0.37 6.09 2.47 -1.67 0.29 114.38 121.38 2jhb h ARG 21 Ca -0.00 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.56 2jhb h ARG 21 Cb 0.98 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 2jhb h ARG 21 CO 0.05 0.44 -0.15 0.87 0.56 0.00 0.00 179.97 181.74 2jhb h LYS 22 N 0.18 0.66 0.01 0.04 1.57 -1.51 -2.72 116.57 114.80 2jhb h LYS 22 Ca 0.03 -0.22 -0.21 0.00 -1.87 0.00 0.00 60.65 58.37 2jhb h LYS 22 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2jhb h LYS 22 CO 0.04 0.78 -0.93 -0.07 -0.57 0.00 0.00 179.45 178.70 2jhb h LEU 23 N 0.60 0.35 0.00 2.94 3.38 -1.38 -3.33 115.31 117.87 2jhb h LEU 23 Ca 0.10 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2jhb h LEU 23 Cb 0.59 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jhb h LEU 23 CO 0.04 1.11 0.00 -0.24 0.09 0.00 0.00 178.44 179.44 2jhb n SER 24 N -3.67 -3.83 -4.55 -0.43 2.88 0.94 -4.47 113.62 100.48 2jhb n SER 24 Ca -0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.20 2jhb n SER 24 Cb 0.84 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.43 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 1.38 -0.53 -1.46 0.52 -1.26 -2.79 118.95 114.81 2jhb s ARG 25 Ca 0.00 -0.17 -0.24 0.00 -0.52 0.00 0.00 55.73 54.79 2jhb s ARG 25 Cb 0.00 -1.93 -0.14 0.00 0.52 0.00 0.00 34.95 33.41 2jhb s ARG 25 CO 0.00 -1.94 1.65 -0.85 0.02 0.00 0.00 175.30 174.18 2jhb n GLU 26 N -3.49 0.00 -4.58 3.54 0.28 -1.26 -4.86 120.64 110.26 2jhb n GLU 26 Ca 0.11 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.85 2jhb n GLU 26 Cb 0.60 -1.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.37 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 4.53 0.16 0.00 2.12 -1.26 -0.29 118.70 120.16 2jhb s GLU 28 Ca 0.28 1.42 0.01 0.00 0.36 0.00 0.00 54.97 57.04 2jhb s GLU 28 Cb 0.07 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2jhb s GLU 28 CO 0.14 0.21 0.02 0.96 -0.54 0.00 0.00 175.26 176.04 2jhb s ILE 29 N -1.55 0.49 -0.19 -3.70 -4.36 -0.30 -0.81 121.20 110.78 2jhb s ILE 29 Ca 0.50 -1.95 -0.10 0.00 -0.26 0.00 0.00 60.65 58.84 2jhb s ILE 29 Cb -0.21 -2.08 0.07 0.00 1.25 0.00 0.00 42.46 41.49 2jhb s ILE 29 CO 0.27 -0.49 0.45 -0.75 0.24 0.00 0.00 174.94 174.66 2jhb s LYS 30 N -3.95 0.42 0.45 0.37 2.20 0.14 -0.94 119.74 118.43 2jhb s LYS 30 Ca 0.23 0.90 -0.25 0.00 -0.36 0.00 0.00 55.97 56.49 2jhb s LYS 30 Cb 0.07 0.07 -0.08 0.00 -1.51 0.00 0.00 37.83 36.38 2jhb s LYS 30 CO 0.03 -0.18 1.38 -0.47 -0.36 0.00 0.00 175.35 175.76 2jhb s TYR 31 N 1.68 2.53 -0.34 4.03 6.14 0.25 0.33 117.35 131.97 2jhb s TYR 31 Ca -0.08 1.32 0.01 0.00 0.64 0.00 0.00 57.07 58.96 2jhb s TYR 31 Cb -0.09 -3.83 0.14 0.00 0.42 0.00 0.00 41.96 38.60 2jhb s TYR 31 CO -0.14 -2.70 0.31 0.95 0.64 0.00 0.00 175.55 174.62 2jhb s THR 32 N -1.24 -0.26 0.00 4.34 -4.23 -0.84 -4.74 115.64 108.68 2jhb s THR 32 Ca 0.61 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2jhb s THR 32 Cb -0.42 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.57 2jhb s THR 32 CO 0.53 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2jhb n GLY 33 N 4.57 0.38 0.28 3.99 0.00 -1.26 -4.15 105.19 109.01 2jhb n GLY 33 Ca 0.07 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.64 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 0.32 0.00 1.61 -5.15 -1.97 -2.47 116.94 109.28 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 -0.10 0.00 0.00 0.22 0.00 0.00 35.95 36.07 2jhb h PHE 34 CO 0.00 0.23 0.01 2.89 -2.00 0.00 0.00 178.31 179.44 2jhb n ARG 35 N -4.46 0.00 0.30 6.09 -4.01 -1.26 -1.08 116.66 112.24 2jhb n ARG 35 Ca 0.01 0.40 0.19 0.00 -1.04 0.00 0.00 57.85 57.41 2jhb n ARG 35 Cb 0.10 -1.51 0.89 0.00 -3.04 0.00 0.00 32.46 28.91 2jhb n ARG 35 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 2jhb h ASP 36 N 0.00 0.00 -3.94 2.89 5.19 -1.78 -3.43 116.42 115.34 2jhb h ASP 36 Ca 0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 2jhb h ASP 36 Cb 0.01 0.00 0.19 0.00 0.18 0.00 0.00 39.33 39.72 2jhb h ASP 36 CO 0.00 0.00 0.07 0.54 -3.12 0.00 0.00 179.24 176.73 2jhb n ARG 37 N -3.08 0.01 -1.63 3.56 3.00 -0.24 -4.98 116.66 113.31 2jhb n ARG 37 Ca -0.01 0.07 -0.36 0.00 -0.01 0.00 0.00 57.85 57.54 2jhb n ARG 37 Cb 0.21 -2.25 0.08 0.00 0.00 0.00 0.00 32.46 30.50 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 -3.94 2.38 0.37 5.56 0.04 -1.26 -4.97 135.00 133.18 2jhb s PRO 38 Ca 0.69 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.50 2jhb s PRO 38 Cb -0.28 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2jhb s PRO 38 CO 0.56 -1.72 1.03 -1.01 0.04 0.00 0.00 177.00 175.90 2jhb s HIS 39 N -1.51 3.40 0.08 0.56 3.76 -1.26 -4.83 115.29 115.49 2jhb s HIS 39 Ca 0.81 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 57.40 2jhb s HIS 39 Cb -0.36 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.23 2jhb s HIS 39 CO 0.42 -0.42 0.00 -1.91 -0.85 0.00 0.00 174.74 171.97 2jhb n GLU 40 N 0.20 0.00 -2.96 1.40 2.13 -1.26 -5.00 120.64 115.15 2jhb n GLU 40 Ca 0.04 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.71 2jhb n GLU 40 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 2jhb n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jhb n GLU 41 N -2.39 0.81 -0.01 5.31 4.07 -1.26 -4.96 120.64 122.21 2jhb n GLU 41 Ca 0.00 -2.49 0.01 0.00 -0.06 0.00 0.00 57.16 54.62 2jhb n GLU 41 Cb 0.00 -1.35 -0.03 0.00 -0.06 0.00 0.00 31.44 30.01 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 1.25 1.29 -0.12 5.31 5.12 -1.26 -4.25 116.66 123.99 2jhb n ARG 42 Ca 0.15 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.95 2jhb n ARG 42 Cb 0.61 -1.08 -0.02 0.00 -1.16 0.00 0.00 32.46 30.80 2jhb n ARG 42 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2jhb h GLN 43 N 0.00 0.60 -0.16 5.56 4.20 -1.93 0.28 115.11 123.66 2jhb h GLN 43 Ca -0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2jhb h GLN 43 Cb 0.53 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2jhb h GLN 43 CO 0.00 0.67 0.05 1.15 -0.67 0.00 0.00 178.83 180.03 2jhb h THR 44 N 0.44 1.18 -0.72 -0.54 2.02 -2.00 -2.44 112.91 110.85 2jhb h THR 44 Ca 0.11 -0.56 0.08 0.00 0.77 0.00 0.00 66.41 66.81 2jhb h THR 44 Cb 0.36 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 2jhb h THR 44 CO 0.01 0.17 0.48 -0.09 0.37 0.00 0.00 175.52 176.46 2jhb h ARG 45 N 0.09 0.66 -0.34 6.66 9.65 -1.69 -1.72 114.38 127.68 2jhb h ARG 45 Ca 0.05 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 2jhb h ARG 45 Cb 0.22 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.61 2jhb h ARG 45 CO -0.00 0.44 0.08 0.35 2.80 0.00 0.00 179.97 183.63 2jhb h PHE 46 N 0.68 0.13 -0.81 2.20 3.57 0.03 0.39 116.94 123.13 2jhb h PHE 46 Ca 0.32 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 2jhb h PHE 46 Cb 0.38 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2jhb h PHE 46 CO -0.00 0.04 0.41 1.96 -2.23 0.00 0.00 178.31 178.49 2jhb h GLN 47 N 0.20 1.15 -0.58 1.11 7.50 -1.06 0.23 115.11 123.66 2jhb h GLN 47 Ca 0.16 -0.15 -0.10 0.00 0.50 0.00 0.00 58.65 59.06 2jhb h GLN 47 Cb 0.17 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.46 2jhb h GLN 47 CO -0.20 0.87 -0.03 -0.91 -1.50 0.00 0.00 178.83 177.06 2jhb h ASN 48 N 1.15 1.02 -0.00 1.46 2.35 -0.15 0.26 115.58 121.67 2jhb h ASN 48 Ca 0.28 -0.30 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 2jhb h ASN 48 Cb 0.08 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2jhb h ASN 48 CO -0.04 1.08 -0.48 0.00 -1.65 0.00 0.00 177.43 176.35 2jhb h ALA 49 N 1.01 0.78 0.00 -0.83 0.00 -0.18 0.11 119.26 120.15 2jhb h ALA 49 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jhb h ALA 49 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jhb h ALA 49 CO 0.03 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.95 2jhb n ARG 51 N -2.25 0.68 -0.04 0.00 0.63 0.05 -4.29 116.66 111.43 2jhb n ARG 51 Ca 0.01 -0.08 0.10 0.00 -0.92 0.00 0.00 57.85 56.96 2jhb n ARG 51 Cb 0.16 -1.53 0.50 0.00 0.45 0.00 0.00 32.46 32.04 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 0.35 0.00 6.15 1.82 -0.68 0.86 116.42 124.92 2jhb h ASP 52 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 2jhb h ASP 52 Cb 1.71 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.65 2jhb h ASP 52 CO 0.02 0.22 0.00 0.61 -1.61 0.00 0.00 179.24 178.48 2jhb n GLY 53 N -1.52 -0.04 3.47 -0.78 0.00 -1.25 -1.03 105.19 104.05 2jhb n GLY 53 Ca 0.07 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.59 -1.28 1.61 -4.01 -1.26 -4.21 116.66 106.92 2jhb n ARG 54 Ca 0.00 -0.13 0.00 0.00 -1.04 0.00 0.00 57.85 56.68 2jhb n ARG 54 Cb 0.00 -2.00 0.00 0.00 -3.04 0.00 0.00 32.46 27.42 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 -2.36 0.00 -3.61 2.89 2.88 0.25 -4.78 113.62 108.89 2jhb n SER 55 Ca 0.07 -0.77 -0.24 0.00 -1.33 0.00 0.00 58.87 56.60 2jhb n SER 55 Cb 0.54 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.32 0.05 0.25 -1.46 2.12 -1.26 -1.11 118.70 115.96 2jhb s GLU 56 Ca 0.00 0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.44 2jhb s GLU 56 Cb 0.00 -1.45 -0.05 0.00 0.26 0.00 0.00 34.13 32.89 2jhb s GLU 56 CO 0.00 -0.59 -0.02 0.42 -0.54 0.00 0.00 175.26 174.53 2jhb s ILE 57 N 2.17 1.23 0.21 -3.70 1.01 -0.07 -1.98 121.20 120.08 2jhb s ILE 57 Ca 0.03 -2.06 0.03 0.00 0.00 0.00 0.00 60.65 58.65 2jhb s ILE 57 Cb -0.15 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 2jhb s ILE 57 CO -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 174.94 174.58 2jhb s ALA 58 N -3.29 1.63 0.78 9.38 0.00 0.15 0.17 121.76 130.58 2jhb s ALA 58 Ca 0.29 -1.72 -0.09 0.00 0.00 0.00 0.00 51.96 50.44 2jhb s ALA 58 Cb 0.05 0.59 0.09 0.00 0.00 0.00 0.00 23.12 23.86 2jhb s ALA 58 CO 0.10 -0.30 1.11 -0.06 0.00 0.00 0.00 175.76 176.61 2jhb s PHE 59 N -3.56 2.64 -0.08 0.00 0.40 -0.53 -0.68 117.98 116.18 2jhb s PHE 59 Ca 0.28 0.48 0.03 0.00 -0.60 0.00 0.00 56.93 57.12 2jhb s PHE 59 Cb 0.06 -3.42 -0.07 0.00 0.51 0.00 0.00 43.02 40.10 2jhb s PHE 59 CO 0.08 -1.74 -0.03 0.28 0.70 0.00 0.00 175.22 174.51 2jhb n VAL 60 N -3.18 0.47 0.14 -0.44 0.31 0.01 -3.33 118.33 112.33 2jhb n VAL 60 Ca 0.10 -0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 2jhb n VAL 60 Cb 0.60 -0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 32.67 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 0.15 -0.94 0.00 3.52 0.00 -1.88 -3.04 119.26 117.07 2jhb h ALA 61 Ca -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jhb h ALA 61 Cb 1.35 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2jhb h ALA 61 CO -0.01 -0.97 -0.90 2.41 0.00 0.00 0.00 179.25 179.78 2jhb n THR 62 N -4.03 0.00 -1.06 0.00 -1.04 -1.25 -5.01 114.28 101.89 2jhb n THR 62 Ca -0.06 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2jhb n THR 62 Cb 0.25 0.79 0.00 0.00 -1.82 0.00 0.00 70.33 69.54 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 1.49 0.66 3.51 3.41 0.00 -1.15 -4.96 105.19 108.15 2jhb n GLY 63 Ca 0.04 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2jhb n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s THR 64 N -2.00 4.18 0.08 2.61 2.01 -1.21 -4.54 115.64 116.77 2jhb s THR 64 Ca 0.00 -0.69 -0.35 0.00 0.31 0.00 0.00 61.69 60.96 2jhb s THR 64 Cb 0.00 -4.89 -0.14 0.00 0.01 0.00 0.00 72.50 67.48 2jhb s THR 64 CO 0.00 -1.72 1.62 -3.20 -0.69 0.00 0.00 174.62 170.63 2jhb n ASN 65 N 8.12 2.96 -3.65 3.53 2.85 -1.26 -1.45 115.26 126.36 2jhb n ASN 65 Ca 0.18 1.06 -0.14 0.00 -0.11 0.00 0.00 54.58 55.58 2jhb n ASN 65 Cb 0.49 -1.37 -0.13 0.00 1.24 0.00 0.00 39.78 40.00 2jhb n ASN 65 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2jhb s LEU 66 N 1.64 -0.30 -0.53 1.20 0.20 0.13 -4.94 118.68 116.08 2jhb s LEU 66 Ca 0.83 0.55 -0.28 0.00 0.69 0.00 0.00 54.13 55.91 2jhb s LEU 66 Cb -0.73 0.69 0.02 0.00 -0.43 0.00 0.00 46.19 45.74 2jhb s LEU 66 CO 0.43 -0.25 1.30 -0.44 -0.29 0.00 0.00 176.35 177.10 2jhb s SER 67 N 2.42 6.35 0.49 3.68 0.01 -1.26 -0.89 113.70 124.50 2jhb s SER 67 Ca 0.02 0.36 -0.19 0.00 1.31 0.00 0.00 55.95 57.45 2jhb s SER 67 Cb -0.12 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.47 2jhb s SER 67 CO -0.09 -1.51 0.99 -0.76 0.41 0.00 0.00 173.24 172.28 2jhb s LEU 68 N 5.32 3.78 -0.33 2.44 1.43 -0.27 -4.92 118.68 126.13 2jhb s LEU 68 Ca 0.50 1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 55.30 2jhb s LEU 68 Cb -0.10 -4.53 0.11 0.00 0.03 0.00 0.00 46.19 41.70 2jhb s LEU 68 CO 0.28 -0.60 0.15 -1.10 0.23 0.00 0.00 176.35 175.30 2jhb s GLN 69 N -3.56 0.53 -1.26 1.70 -0.21 -1.26 -0.58 119.66 115.02 2jhb s GLN 69 Ca 0.62 -1.02 -0.08 0.00 0.02 0.00 0.00 55.36 54.90 2jhb s GLN 69 Cb -0.12 -1.55 0.18 0.00 1.00 0.00 0.00 33.01 32.52 2jhb s GLN 69 CO 0.23 -1.07 1.88 1.19 -2.12 0.00 0.00 175.29 175.39 2jhb n PHE 70 N 4.68 2.81 -3.85 0.91 3.72 -1.26 -4.16 117.46 120.32 2jhb n PHE 70 Ca 0.01 -2.76 -0.31 0.00 -0.05 0.00 0.00 57.45 54.34 2jhb n PHE 70 Cb 0.40 -1.86 -0.12 0.00 -0.94 0.00 0.00 39.48 36.97 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2jhb s PHE 71 N -0.10 3.47 1.24 1.38 -0.71 -1.26 -4.57 117.98 117.43 2jhb s PHE 71 Ca 0.40 -3.16 -0.17 0.00 -1.04 0.00 0.00 56.93 52.96 2jhb s PHE 71 Cb 0.10 -2.89 0.31 0.00 -1.21 0.00 0.00 43.02 39.32 2jhb s PHE 71 CO 0.01 -0.68 1.01 -2.14 -1.34 0.00 0.00 175.22 172.08 2jhb s PRO 72 N -0.87 -1.53 0.42 1.99 0.02 -1.26 -4.77 135.00 129.00 2jhb s PRO 72 Ca 0.21 0.45 0.10 0.00 0.02 0.00 0.00 61.00 61.78 2jhb s PRO 72 Cb -0.14 -1.51 0.92 0.00 0.02 0.00 0.00 34.50 33.78 2jhb s PRO 72 CO -0.09 -4.03 2.02 0.00 -0.33 0.00 0.00 177.00 174.57 2jhb h ALA 73 N -2.82 1.83 -0.99 -1.55 0.00 -2.00 -3.10 119.26 110.64 2jhb h ALA 73 Ca -0.54 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.75 2jhb h ALA 73 Cb 1.33 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 2jhb h ALA 73 CO 0.43 0.09 1.67 -1.12 0.00 0.00 0.00 179.25 180.31 2jhb s SER 74 N -6.46 6.48 0.32 0.00 0.01 -1.26 -5.01 113.70 107.79 2jhb s SER 74 Ca -0.08 -1.73 -0.29 0.00 1.31 0.00 0.00 55.95 55.16 2jhb s SER 74 Cb 0.19 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 2jhb s SER 74 CO 0.74 -1.52 1.42 0.26 0.41 0.00 0.00 173.24 174.55 2jhb s TRP 75 N 5.23 2.89 0.00 2.43 0.52 -1.17 -4.92 118.94 123.92 2jhb s TRP 75 Ca 0.51 1.18 0.00 0.00 0.02 0.00 0.00 56.10 57.81 2jhb s TRP 75 Cb 0.01 -3.84 0.00 0.00 -1.15 0.00 0.00 33.47 28.48 2jhb s TRP 75 CO -0.03 -2.54 0.02 1.04 0.02 0.00 0.00 176.95 175.46 2jhb n GLN 76 N 1.28 0.00 0.00 4.98 6.02 -1.26 -4.98 117.38 123.42 2jhb n GLN 76 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2jhb n GLN 76 Cb 0.40 -0.31 0.00 0.00 1.02 0.00 0.00 30.24 31.35 2jhb n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jhb n GLY 77 N 2.48 1.30 3.08 1.08 0.00 -1.26 -4.80 105.19 107.06 2jhb n GLY 77 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 0.57 -0.95 1.61 2.12 -1.26 -4.93 118.70 115.86 2jhb s GLU 78 Ca 0.00 -1.11 -0.13 0.00 0.36 0.00 0.00 54.97 54.08 2jhb s GLU 78 Cb 0.00 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.61 2jhb s GLU 78 CO 0.00 -0.11 0.25 1.04 -0.54 0.00 0.00 175.26 175.91 2jhb n GLN 79 N 0.33 -0.69 -0.34 4.30 1.13 -0.20 -4.63 117.38 117.29 2jhb n GLN 79 Ca -0.16 -0.04 0.05 0.00 -1.94 0.00 0.00 57.00 54.91 2jhb n GLN 79 Cb 0.60 -1.88 -0.01 0.00 0.11 0.00 0.00 30.24 29.06 2jhb n GLN 79 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2jhb n ARG 80 N -3.66 -0.69 0.05 -1.09 1.85 0.30 -4.92 116.66 108.49 2jhb n ARG 80 Ca -0.15 0.46 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 2jhb n ARG 80 Cb 0.43 -0.84 0.00 0.00 -1.05 0.00 0.00 32.46 31.00 2jhb n ARG 80 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2jhb n GLN 81 N -1.46 0.00 -2.99 2.89 -0.06 -1.26 -4.71 117.38 109.78 2jhb n GLN 81 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 2jhb n GLN 81 Cb 0.16 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.31 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 -2.74 -0.45 -2.30 1.69 -1.04 -1.26 -5.13 114.28 103.04 2jhb n THR 82 Ca 0.00 -1.99 -0.25 0.00 -2.04 0.00 0.00 64.05 59.77 2jhb n THR 82 Cb 0.00 -0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.50 2.05 0.83 -2.82 0.04 -1.26 -4.99 135.00 129.35 2jhb s PRO 83 Ca 0.31 -0.47 -0.12 0.00 0.04 0.00 0.00 61.00 60.76 2jhb s PRO 83 Cb 0.04 -2.22 0.10 0.00 0.04 0.00 0.00 34.50 32.46 2jhb s PRO 83 CO -0.12 -1.28 1.19 -1.12 0.04 0.00 0.00 177.00 175.71 2jhb s SER 84 N -4.56 4.33 0.13 6.66 0.01 -1.26 -4.80 113.70 114.20 2jhb s SER 84 Ca 0.62 0.70 -0.27 0.00 1.31 0.00 0.00 55.95 58.30 2jhb s SER 84 Cb -0.09 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 2jhb s SER 84 CO 0.44 -2.01 1.60 -0.09 0.41 0.00 0.00 173.24 173.60 2jhb h ARG 85 N -1.12 -0.45 -0.86 12.44 2.43 -1.78 -0.11 114.38 124.94 2jhb h ARG 85 Ca -0.46 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2jhb h ARG 85 Cb 1.32 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.93 2jhb h ARG 85 CO 0.62 -0.30 0.53 1.49 -1.51 0.00 0.00 179.97 180.81 2jhb h GLU 86 N -0.46 1.16 0.00 0.20 4.57 -1.93 -3.32 114.58 114.79 2jhb h GLU 86 Ca 0.07 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2jhb h GLU 86 Cb 0.58 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2jhb h GLU 86 CO -0.33 0.80 0.00 0.98 -1.18 0.00 0.00 179.01 179.28 2jhb n TYR 87 N -4.38 0.00 -3.78 0.92 4.19 -0.87 -2.36 117.16 110.88 2jhb n TYR 87 Ca 0.10 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.17 2jhb n TYR 87 Cb 0.05 -0.49 -0.15 0.00 0.49 0.00 0.00 39.34 39.24 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 -2.19 -0.04 0.25 2.97 1.01 -0.11 -2.88 120.40 119.41 2jhb s VAL 88 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2jhb s VAL 88 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.25 2jhb s VAL 88 CO 0.00 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.49 2jhb n ASP 89 N 3.93 -7.11 -1.00 3.32 2.03 -1.25 -4.43 116.55 112.05 2jhb n ASP 89 Ca -0.24 0.93 -0.01 0.00 0.52 0.00 0.00 54.79 55.99 2jhb n ASP 89 Cb 0.53 -3.22 -0.02 0.00 -0.72 0.00 0.00 41.12 37.69 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 0.30 -0.05 0.00 -2.67 -0.00 -1.26 -4.25 117.00 109.06 2jhb n LEU 90 Ca 0.00 -1.68 0.00 0.00 -0.00 0.00 0.00 56.01 54.33 2jhb n LEU 90 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2jhb n LEU 90 CO 0.00 0.91 0.00 1.21 -0.00 0.00 0.00 177.39 179.51 2jhb n GLU 91 N 0.16 0.00 0.00 1.47 2.13 -1.26 -4.38 120.64 118.76 2jhb n GLU 91 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2jhb n GLU 91 Cb 0.81 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.74 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 -1.46 0.00 -0.13 5.31 3.00 -1.26 -5.16 116.66 116.96 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 0.00 0.28 -1.48 -0.14 0.00 -0.68 -4.90 120.64 113.72 2jhb n GLU 93 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.77 2jhb n GLU 93 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb n ALA 94 N -3.00 3.00 -1.37 4.31 0.00 -1.26 -3.61 120.51 118.57 2jhb n ALA 94 Ca 0.00 -3.28 -0.13 0.00 0.00 0.00 0.00 53.44 50.04 2jhb n ALA 94 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 19.45 15.81 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 4.89 1.24 3.31 0.00 0.00 -1.26 -4.96 105.19 108.40 2jhb n GLY 95 Ca 0.48 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.04 1.25 0.17 1.61 -2.85 -1.24 -0.39 119.74 115.26 2jhb s LYS 96 Ca 0.00 -1.60 0.10 0.00 -1.00 0.00 0.00 55.97 53.46 2jhb s LYS 96 Cb 0.00 -0.65 -0.04 0.00 -2.06 0.00 0.00 37.83 35.08 2jhb s LYS 96 CO 0.00 -0.03 -0.15 0.54 0.10 0.00 0.00 175.35 175.80 2jhb s VAL 97 N -3.37 2.87 0.34 1.79 0.11 0.06 -1.69 120.40 120.52 2jhb s VAL 97 Ca 0.25 -1.74 0.02 0.00 -2.93 0.00 0.00 61.98 57.57 2jhb s VAL 97 Cb 0.04 -2.39 -0.03 0.00 -1.53 0.00 0.00 36.38 32.48 2jhb s VAL 97 CO 0.06 -0.07 0.52 -0.31 -3.33 0.00 0.00 175.10 171.97 2jhb s TYR 98 N -1.59 3.43 0.07 1.54 1.51 -1.26 -0.45 117.35 120.60 2jhb s TYR 98 Ca 0.22 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.36 2jhb s TYR 98 Cb -0.09 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 2jhb s TYR 98 CO 0.13 0.11 0.33 -0.51 -1.11 0.00 0.00 175.55 174.49 2jhb s LEU 99 N -4.28 0.77 -0.29 -1.29 1.43 0.26 -4.68 118.68 110.59 2jhb s LEU 99 Ca 0.40 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 2jhb s LEU 99 Cb -0.10 1.49 0.14 0.00 0.03 0.00 0.00 46.19 47.75 2jhb s LEU 99 CO 0.35 -0.70 0.90 -0.75 0.23 0.00 0.00 176.35 176.38 2jhb s LYS 100 N -3.04 0.44 -0.11 1.70 2.36 -1.00 -1.74 119.74 118.35 2jhb s LYS 100 Ca -0.02 0.85 -0.08 0.00 -2.55 0.00 0.00 55.97 54.17 2jhb s LYS 100 Cb 0.01 0.23 0.04 0.00 -1.05 0.00 0.00 37.83 37.05 2jhb s LYS 100 CO -0.06 -0.11 0.28 0.00 1.55 0.00 0.00 175.35 177.01 2jhb s ALA 101 N 1.75 -0.69 0.86 3.13 0.00 -0.26 -4.41 121.76 122.14 2jhb s ALA 101 Ca -0.08 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 2jhb s ALA 101 Cb -0.05 -0.58 0.10 0.00 0.00 0.00 0.00 23.12 22.58 2jhb s ALA 101 CO -0.17 -0.17 1.08 -2.30 0.00 0.00 0.00 175.76 174.20 2jhb n PRO 102 N 3.57 -0.09 -4.14 0.00 -0.02 -1.26 -0.53 135.00 132.53 2jhb n PRO 102 Ca -0.19 0.05 -0.23 0.00 -2.02 0.00 0.00 63.50 61.11 2jhb n PRO 102 Cb 0.56 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2jhb n PRO 102 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2jhb s MET 103 N -4.19 2.31 -0.45 -0.52 -1.94 0.13 -4.31 119.30 110.33 2jhb s MET 103 Ca 0.69 -1.61 0.07 0.00 -1.71 0.00 0.00 55.69 53.14 2jhb s MET 103 Cb -0.26 -2.12 0.24 0.00 2.01 0.00 0.00 34.83 34.70 2jhb s MET 103 CO 0.55 0.09 0.55 -0.89 -0.01 0.00 0.00 175.02 175.32 2jhb n ILE 104 N -1.13 -0.09 -2.58 2.53 5.41 -1.25 -3.38 119.36 118.87 2jhb n ILE 104 Ca -0.03 -4.22 -0.42 0.00 1.00 0.00 0.00 62.75 59.08 2jhb n ILE 104 Cb 0.62 -1.97 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 2jhb n ILE 104 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2jhb s LEU 105 N -1.35 4.32 0.00 1.39 2.01 -1.23 -4.27 118.68 119.55 2jhb s LEU 105 Ca 0.36 1.75 0.00 0.00 0.01 0.00 0.00 54.13 56.25 2jhb s LEU 105 Cb 0.15 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.79 2jhb s LEU 105 CO -0.10 -0.42 0.00 0.59 1.01 0.00 0.00 176.35 177.43 2jhb n ASN 106 N 4.41 0.00 0.00 2.29 4.13 -1.26 -0.92 115.26 123.92 2jhb n ASN 106 Ca 0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.34 2jhb n ASN 106 Cb 0.48 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 2jhb n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jhb n GLY 107 N -1.98 1.17 3.54 7.41 0.00 -1.26 -4.55 105.19 109.51 2jhb n GLY 107 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 5.02 -0.81 1.61 1.01 -0.09 -1.49 120.40 123.64 2jhb s VAL 108 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 2jhb s VAL 108 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2jhb s VAL 108 CO 0.00 0.23 1.70 0.00 0.00 0.00 0.00 175.10 177.03 2jhb s VAL 110 N 7.98 4.39 0.23 0.00 -7.23 -1.22 -3.74 120.40 120.80 2jhb s VAL 110 Ca 0.58 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.44 2jhb s VAL 110 Cb -0.07 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.59 2jhb s VAL 110 CO 0.07 -0.03 0.90 -0.63 -0.31 0.00 0.00 175.10 175.09 2jhb s ILE 111 N -1.62 4.15 -0.19 -0.62 1.01 0.69 0.18 121.20 124.80 2jhb s ILE 111 Ca 0.30 1.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.87 2jhb s ILE 111 Cb -0.11 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 2jhb s ILE 111 CO 0.22 0.49 0.01 0.86 0.00 0.00 0.00 174.94 176.52 2jhb s TRP 112 N -1.19 3.08 0.23 3.97 -0.00 0.31 -0.90 118.94 124.42 2jhb s TRP 112 Ca 0.40 -0.33 0.05 0.00 -0.00 0.00 0.00 56.10 56.22 2jhb s TRP 112 Cb -0.25 -2.08 -0.05 0.00 -0.00 0.00 0.00 33.47 31.09 2jhb s TRP 112 CO 0.30 -0.15 -0.04 -1.59 -0.00 0.00 0.00 176.95 175.47 2jhb s LYS 113 N 0.85 1.34 0.00 5.86 -2.85 -0.20 -1.10 119.74 123.63 2jhb s LYS 113 Ca 0.01 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.32 2jhb s LYS 113 Cb -0.14 -0.77 0.00 0.00 -2.06 0.00 0.00 37.83 34.86 2jhb s LYS 113 CO 0.02 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.86 2jhb n GLY 114 N -0.42 -1.73 3.08 0.59 0.00 -0.71 -1.20 105.19 104.80 2jhb n GLY 114 Ca -0.06 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.43 1.09 -0.26 1.61 -2.14 0.97 -0.58 118.94 117.21 2jhb s TRP 115 Ca 0.00 -0.21 0.03 0.00 2.66 0.00 0.00 56.10 58.58 2jhb s TRP 115 Cb 0.00 -0.70 0.06 0.00 -3.10 0.00 0.00 33.47 29.73 2jhb s TRP 115 CO 0.00 -0.02 -0.11 0.42 -2.66 0.00 0.00 176.95 174.58 2jhb s ILE 116 N -0.30 2.16 0.52 0.66 -1.09 0.41 -0.65 121.20 122.91 2jhb s ILE 116 Ca 0.05 -1.61 -0.23 0.00 -2.23 0.00 0.00 60.65 56.63 2jhb s ILE 116 Cb -0.05 -2.26 -0.06 0.00 -1.58 0.00 0.00 42.46 38.52 2jhb s ILE 116 CO -0.00 -0.01 1.39 -0.62 -1.23 0.00 0.00 174.94 174.47 2jhb s ASP 117 N 1.11 5.43 -1.22 3.58 2.15 0.02 -0.76 116.67 126.98 2jhb s ASP 117 Ca -0.08 2.83 -0.09 0.00 0.43 0.00 0.00 52.55 55.64 2jhb s ASP 117 Cb -0.20 -2.64 0.20 0.00 -0.30 0.00 0.00 42.92 39.98 2jhb s ASP 117 CO -0.05 -1.46 1.70 0.18 -0.17 0.00 0.00 175.17 175.36 2jhb n LEU 118 N -0.78 6.38 0.00 -1.34 4.77 0.48 -3.13 117.00 123.38 2jhb n LEU 118 Ca 0.09 -4.76 0.00 0.00 -0.03 0.00 0.00 56.01 51.30 2jhb n LEU 118 Cb 0.44 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 2jhb n LEU 118 CO 0.55 1.36 0.00 0.00 -1.33 0.00 0.00 177.39 177.97 2jhb n HIS 119 N 3.48 0.00 0.70 -1.77 1.44 -1.26 -4.92 115.22 112.89 2jhb n HIS 119 Ca 0.36 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.14 2jhb n HIS 119 Cb 0.36 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.46 2jhb n HIS 119 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2jhb n ARG 120 N -0.75 1.77 -2.08 -1.40 5.12 -1.26 -4.93 116.66 113.13 2jhb n ARG 120 Ca 0.00 -0.65 -0.01 0.00 -1.93 0.00 0.00 57.85 55.26 2jhb n ARG 120 Cb 0.00 -1.25 0.01 0.00 -1.16 0.00 0.00 32.46 30.05 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 -0.36 -2.15 -4.92 0.55 7.99 -1.18 -4.88 117.00 112.04 2jhb n LEU 121 Ca 0.06 -0.05 -0.22 0.00 -0.01 0.00 0.00 56.01 55.80 2jhb n LEU 121 Cb 0.31 -0.69 -0.00 0.00 -0.11 0.00 0.00 43.42 42.93 2jhb n LEU 121 CO 0.22 0.03 0.09 -1.81 -1.51 0.00 0.00 177.39 174.40 2jhb s ASP 122 N -3.10 5.02 0.00 -1.43 1.01 -1.26 -0.58 116.67 116.34 2jhb s ASP 122 Ca 0.00 -0.85 0.00 0.00 0.71 0.00 0.00 52.55 52.41 2jhb s ASP 122 Cb -0.00 -0.19 0.00 0.00 1.01 0.00 0.00 42.92 43.74 2jhb s ASP 122 CO 0.05 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.15 2jhb n GLY 123 N -1.75 -0.61 3.03 0.21 0.00 -0.11 -0.80 105.19 105.15 2jhb n GLY 123 Ca 0.05 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.34 0.74 0.10 1.61 -1.94 0.18 -1.15 119.30 117.48 2jhb s MET 124 Ca 0.00 -0.38 -0.22 0.00 -1.71 0.00 0.00 55.69 53.39 2jhb s MET 124 Cb 0.00 -0.70 0.07 0.00 2.01 0.00 0.00 34.83 36.21 2jhb s MET 124 CO 0.00 0.19 1.01 0.41 -0.01 0.00 0.00 175.02 176.62 2jhb n GLY 125 N 2.71 0.52 2.50 -0.03 0.00 0.60 -0.02 105.19 111.47 2jhb n GLY 125 Ca -0.14 -1.09 0.03 0.00 0.00 0.00 0.00 46.02 44.82 2jhb n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jhb s LEU 127 N 0.00 3.67 0.00 0.00 1.43 -1.12 -1.03 118.68 121.63 2jhb s LEU 127 Ca 0.20 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2jhb s LEU 127 Cb -0.00 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 2jhb s LEU 127 CO -0.02 -0.55 0.14 1.21 0.23 0.00 0.00 176.35 177.36 2jhb n GLU 128 N -1.62 0.20 -4.09 1.70 4.07 -0.08 -4.81 120.64 116.01 2jhb n GLU 128 Ca 0.03 -1.30 -0.35 0.00 -0.06 0.00 0.00 57.16 55.48 2jhb n GLU 128 Cb 0.59 1.12 -0.13 0.00 -0.06 0.00 0.00 31.44 32.96 2jhb n GLU 128 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2jhb s PHE 129 N -3.03 2.99 -0.82 4.31 5.36 -1.26 -0.23 117.98 125.30 2jhb s PHE 129 Ca 0.15 -0.61 -0.21 0.00 -0.96 0.00 0.00 56.93 55.30 2jhb s PHE 129 Cb 0.00 -2.07 0.09 0.00 -0.34 0.00 0.00 43.02 40.71 2jhb s PHE 129 CO 0.11 -0.32 1.10 -0.51 -1.46 0.00 0.00 175.22 174.14 2jhb s ASP 130 N 1.07 6.41 0.37 6.13 1.11 -1.25 -4.76 116.67 125.75 2jhb s ASP 130 Ca 0.02 -1.48 0.05 0.00 0.18 0.00 0.00 52.55 51.31 2jhb s ASP 130 Cb -0.14 -2.43 0.70 0.00 1.07 0.00 0.00 42.92 42.11 2jhb s ASP 130 CO 0.01 -1.30 1.98 1.05 1.18 0.00 0.00 175.17 178.09 2jhb h GLU 131 N 9.30 0.63 0.02 8.23 9.09 -1.97 0.55 114.58 140.43 2jhb h GLU 131 Ca -0.04 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.30 2jhb h GLU 131 Cb 1.04 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 2jhb h GLU 131 CO 1.18 0.49 -0.01 1.49 0.05 0.00 0.00 179.01 182.21 2jhb h GLU 132 N 0.64 -0.03 -0.55 1.06 4.22 -1.99 0.10 114.58 118.04 2jhb h GLU 132 Ca 0.16 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.54 2jhb h GLU 132 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2jhb h GLU 132 CO -0.02 0.35 0.10 -0.09 -2.18 0.00 0.00 179.01 177.16 2jhb h ARG 133 N -0.41 0.86 -0.58 1.92 9.65 -1.95 -0.25 114.38 123.61 2jhb h ARG 133 Ca -0.00 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 2jhb h ARG 133 Cb 0.39 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 2jhb h ARG 133 CO 0.00 0.80 0.35 0.00 2.80 0.00 0.00 179.97 183.92 2jhb h ALA 134 N 1.28 0.75 -0.72 2.80 0.00 -0.74 0.22 119.26 122.85 2jhb h ALA 134 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jhb h ALA 134 Cb 0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jhb h ALA 134 CO 0.01 0.23 0.45 1.96 0.00 0.00 0.00 179.25 181.90 2jhb h GLN 135 N 0.79 0.96 -0.16 0.00 4.20 -0.34 0.16 115.11 120.71 2jhb h GLN 135 Ca 0.21 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 2jhb h GLN 135 Cb -0.01 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.57 2jhb h GLN 135 CO -0.04 0.65 -0.51 1.96 -0.67 0.00 0.00 178.83 180.22 2jhb h GLN 136 N 0.98 0.63 -0.03 1.46 1.08 0.17 -2.76 115.11 116.64 2jhb h GLN 136 Ca 0.26 -0.46 -0.13 0.00 -1.45 0.00 0.00 58.65 56.87 2jhb h GLN 136 Cb -0.08 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2jhb h GLN 136 CO -0.05 1.08 -0.59 1.49 -0.95 0.00 0.00 178.83 179.82 2jhb h GLU 137 N 0.30 0.11 -0.88 1.46 4.57 -0.49 0.71 114.58 120.35 2jhb h GLU 137 Ca -0.02 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2jhb h GLU 137 Cb 1.14 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 2jhb h GLU 137 CO 0.11 0.66 0.58 -0.44 -1.18 0.00 0.00 179.01 178.74 2jhb h ASP 138 N 0.08 0.95 0.02 1.04 3.32 -0.68 0.11 116.42 121.25 2jhb h ASP 138 Ca -0.00 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 2jhb h ASP 138 Cb 1.06 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.40 2jhb h ASP 138 CO 0.08 0.65 -0.61 0.00 -1.72 0.00 0.00 179.24 177.64 2jhb h ALA 139 N 1.49 0.05 0.00 3.45 0.00 -1.16 -3.34 119.26 119.75 2jhb h ALA 139 Ca 0.35 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jhb h ALA 139 Cb 0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jhb h ALA 139 CO -0.10 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.77 2jhb n LEU 140 N -4.22 0.52 0.00 0.00 4.77 0.21 -0.81 117.00 117.48 2jhb n LEU 140 Ca -0.11 0.65 0.01 0.00 -0.03 0.00 0.00 56.01 56.53 2jhb n LEU 140 Cb 0.68 -0.60 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2jhb n LEU 140 CO 0.47 -0.58 0.16 0.00 -1.33 0.00 0.00 177.39 176.11 2jhb n ALA 141 N -1.72 1.66 -3.17 -1.18 0.00 0.33 -4.82 120.51 111.60 2jhb n ALA 141 Ca 0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2jhb n ALA 141 Cb 0.18 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.65 -1.96 0.00 0.00 3.00 -0.60 -4.92 117.38 112.26 2jhb n GLN 142 Ca 0.01 1.66 0.00 0.00 -0.01 0.00 0.00 57.00 58.66 2jhb n GLN 142 Cb 0.00 -4.37 0.00 0.00 0.00 0.00 0.00 30.24 25.88 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00