#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 0.33 -4.70 1.61 7.64 -1.26 -4.88 113.62 112.35 2jhb n SER 2 Ca 0.00 1.15 -0.42 0.00 1.01 0.00 0.00 58.87 60.61 2jhb n SER 2 Cb 0.00 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.16 2jhb n SER 2 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2jhb s MET 3 N -0.04 4.26 0.14 1.43 -2.45 -1.26 -4.98 119.30 116.40 2jhb s MET 3 Ca 0.85 2.18 -0.31 0.00 -1.25 0.00 0.00 55.69 57.16 2jhb s MET 3 Cb -1.13 -3.37 -0.10 0.00 1.25 0.00 0.00 34.83 31.48 2jhb s MET 3 CO 0.54 -0.57 1.66 -1.25 1.05 0.00 0.00 175.02 176.45 2jhb s PRO 4 N 1.72 4.18 0.00 4.11 0.04 -1.26 -4.77 135.00 139.02 2jhb s PRO 4 Ca 0.68 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.15 2jhb s PRO 4 Cb -0.38 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2jhb s PRO 4 CO 0.30 -0.70 0.00 -2.13 0.04 0.00 0.00 177.00 174.51 2jhb n ARG 5 N 4.69 2.33 -4.28 4.56 0.00 -1.26 -5.07 116.66 117.63 2jhb n ARG 5 Ca 0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.78 2jhb n ARG 5 Cb 0.38 -0.67 -0.07 0.00 0.00 0.00 0.00 32.46 32.10 2jhb n ARG 5 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2jhb n VAL 6 N -0.83 0.00 -4.46 5.15 0.24 -1.26 -4.46 118.33 112.70 2jhb n VAL 6 Ca 0.00 -2.37 -0.26 0.00 -2.04 0.00 0.00 64.34 59.67 2jhb n VAL 6 Cb 0.11 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.40 2jhb n VAL 6 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2jhb s VAL 7 N -3.20 2.27 0.00 3.34 -7.23 -0.98 -4.53 120.40 110.08 2jhb s VAL 7 Ca 0.30 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 2jhb s VAL 7 Cb 0.01 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.12 2jhb s VAL 7 CO 0.21 -0.11 0.21 -0.81 -0.31 0.00 0.00 175.10 174.28 2jhb n PRO 8 N -0.94 0.00 -1.73 4.82 -0.04 -1.26 -4.45 135.00 131.40 2jhb n PRO 8 Ca -0.04 0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 63.26 2jhb n PRO 8 Cb 0.64 -0.89 -0.01 0.00 -0.04 0.00 0.00 33.50 33.21 2jhb n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jhb n ASP 9 N -1.25 5.58 -0.33 3.54 2.03 -1.26 -4.79 116.55 120.07 2jhb n ASP 9 Ca 0.00 -2.83 0.03 0.00 0.52 0.00 0.00 54.79 52.51 2jhb n ASP 9 Cb 0.00 -1.59 0.18 0.00 -0.72 0.00 0.00 41.12 38.99 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jhb h GLN 10 N 5.61 0.96 0.00 -0.67 4.20 -1.95 -0.96 115.11 122.30 2jhb h GLN 10 Ca 0.63 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 59.22 2jhb h GLN 10 Cb 0.52 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2jhb h GLN 10 CO 1.80 0.63 -0.31 -0.09 -0.67 0.00 0.00 178.83 180.19 2jhb h ARG 11 N 0.99 0.00 0.04 1.46 9.65 -1.97 0.89 114.38 125.43 2jhb h ARG 11 Ca 0.42 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 59.06 2jhb h ARG 11 Cb 0.28 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 2jhb h ARG 11 CO -0.21 0.31 -1.15 0.77 2.80 0.00 0.00 179.97 182.50 2jhb h SER 12 N 0.00 0.13 -0.68 -3.80 0.02 -1.67 -3.18 113.55 104.37 2jhb h SER 12 Ca -0.00 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 2jhb h SER 12 Cb 0.70 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 2jhb h SER 12 CO 0.04 1.12 0.17 0.50 -1.14 0.00 0.00 176.83 177.52 2jhb h LYS 13 N 0.02 1.10 0.00 3.45 1.63 -0.62 0.10 116.57 122.26 2jhb h LYS 13 Ca -0.08 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2jhb h LYS 13 Cb 1.85 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 2jhb h LYS 13 CO 0.15 0.97 0.00 0.34 -3.45 0.00 0.00 179.45 177.46 2jhb n PHE 14 N -4.23 0.02 -0.01 1.91 7.35 0.25 -0.61 117.46 122.14 2jhb n PHE 14 Ca 0.05 0.01 0.04 0.00 -0.76 0.00 0.00 57.45 56.79 2jhb n PHE 14 Cb 0.26 -0.52 -0.08 0.00 0.35 0.00 0.00 39.48 39.49 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 -1.52 0.65 -0.08 -4.13 -0.58 -0.75 -4.81 120.64 109.41 2jhb n GLU 15 Ca 0.00 -0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.47 2jhb n GLU 15 Cb 0.01 -1.25 -0.12 0.00 -0.57 0.00 0.00 31.44 29.51 2jhb n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2jhb h ASN 16 N 0.00 0.03 -0.91 1.62 2.35 0.89 -3.44 115.58 116.11 2jhb h ASN 16 Ca -0.04 -0.70 -0.22 0.00 -0.55 0.00 0.00 56.30 54.79 2jhb h ASN 16 Cb 0.66 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 2jhb h ASN 16 CO 0.00 1.34 0.72 -1.61 -1.65 0.00 0.00 177.43 176.23 2jhb s GLU 17 N -2.33 1.89 0.22 0.81 0.41 0.22 -4.80 118.70 115.12 2jhb s GLU 17 Ca -0.25 0.77 0.11 0.00 -0.41 0.00 0.00 54.97 55.19 2jhb s GLU 17 Cb 0.03 -4.71 0.60 0.00 -1.78 0.00 0.00 34.13 28.27 2jhb s GLU 17 CO 0.64 -3.88 1.26 -1.91 -0.49 0.00 0.00 175.26 170.88 2jhb n GLU 18 N 8.91 0.07 -0.26 1.61 0.00 -1.26 -1.27 120.64 128.45 2jhb n GLU 18 Ca 0.41 0.53 -0.05 0.00 0.00 0.00 0.00 57.16 58.05 2jhb n GLU 18 Cb 0.48 -1.90 0.00 0.00 0.00 0.00 0.00 31.44 30.02 2jhb n GLU 18 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2jhb h PHE 19 N 0.00 -1.10 0.00 4.31 3.04 -1.99 -3.05 116.94 118.15 2jhb h PHE 19 Ca 0.00 0.09 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 2jhb h PHE 19 Cb 0.31 0.58 -0.00 0.00 2.56 0.00 0.00 35.95 39.40 2jhb h PHE 19 CO 0.00 -0.40 -0.16 0.27 -2.02 0.00 0.00 178.31 176.00 2jhb h PHE 20 N -0.13 0.00 -0.96 0.41 -5.15 -1.59 -3.34 116.94 106.18 2jhb h PHE 20 Ca 0.24 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 58.05 2jhb h PHE 20 Cb 0.56 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.68 2jhb h PHE 20 CO -0.73 0.16 0.63 0.00 -2.00 0.00 0.00 178.31 176.37 2jhb h ARG 21 N 0.00 1.18 0.00 6.09 2.47 -1.70 0.48 114.38 122.90 2jhb h ARG 21 Ca -0.00 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.54 2jhb h ARG 21 Cb 1.05 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 2jhb h ARG 21 CO 0.02 0.78 -0.50 0.87 0.56 0.00 0.00 179.97 181.71 2jhb h LYS 22 N 1.22 0.00 0.01 0.04 1.57 -1.74 -2.50 116.57 115.17 2jhb h LYS 22 Ca 0.38 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.96 2jhb h LYS 22 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2jhb h LYS 22 CO -0.12 0.50 -0.91 -0.07 -0.57 0.00 0.00 179.45 178.27 2jhb h LEU 23 N 0.00 0.19-10.34 2.94 3.38 -1.26 -3.44 115.31 106.78 2jhb h LEU 23 Ca -0.00 -0.17 -0.46 0.00 0.09 0.00 0.00 57.88 57.34 2jhb h LEU 23 Cb 1.25 -0.06 0.16 0.00 0.09 0.00 0.00 40.66 42.10 2jhb h LEU 23 CO 0.06 1.01 0.20 -0.94 0.09 0.00 0.00 178.44 178.86 2jhb s SER 24 N -6.89 2.74 0.42 -0.43 1.04 0.15 -4.27 113.70 106.46 2jhb s SER 24 Ca -0.02 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2jhb s SER 24 Cb 0.10 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.27 2jhb s SER 24 CO 0.83 -3.07 0.00 0.54 0.98 0.00 0.00 173.24 172.52 2jhb n ARG 25 N -4.14 -2.34 -1.87 4.02 5.12 -1.26 -4.79 116.66 111.40 2jhb n ARG 25 Ca 0.06 1.90 -0.42 0.00 -1.93 0.00 0.00 57.85 57.45 2jhb n ARG 25 Cb 0.57 -2.83 -0.03 0.00 -1.16 0.00 0.00 32.46 29.01 2jhb n ARG 25 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2jhb s GLU 26 N -4.64 4.14 0.34 5.56 4.04 -1.26 -4.51 118.70 122.38 2jhb s GLU 26 Ca 0.00 2.35 -0.08 0.00 0.04 0.00 0.00 54.97 57.28 2jhb s GLU 26 Cb 0.00 -4.06 0.01 0.00 0.02 0.00 0.00 34.13 30.10 2jhb s GLU 26 CO 0.00 -0.91 0.56 0.00 -1.84 0.00 0.00 175.26 173.06 2jhb s GLU 28 N -3.03 4.42 0.18 0.00 2.56 -1.26 -0.35 118.70 121.21 2jhb s GLU 28 Ca 0.25 1.38 0.02 0.00 0.00 0.00 0.00 54.97 56.62 2jhb s GLU 28 Cb -0.02 -2.67 -0.05 0.00 2.00 0.00 0.00 34.13 33.40 2jhb s GLU 28 CO 0.16 0.12 -0.00 0.96 -0.56 0.00 0.00 175.26 175.94 2jhb s ILE 29 N -1.68 0.72 -0.06 -3.70 -4.36 0.19 -0.81 121.20 111.50 2jhb s ILE 29 Ca 0.54 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.83 2jhb s ILE 29 Cb -0.19 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.41 2jhb s ILE 29 CO 0.24 -0.47 0.26 -0.75 0.24 0.00 0.00 174.94 174.46 2jhb s LYS 30 N -3.91 0.44 0.32 0.37 2.20 0.09 -1.46 119.74 117.79 2jhb s LYS 30 Ca 0.24 0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.65 2jhb s LYS 30 Cb 0.06 0.20 -0.10 0.00 -1.51 0.00 0.00 37.83 36.48 2jhb s LYS 30 CO 0.04 -0.09 1.41 -0.47 -0.36 0.00 0.00 175.35 175.88 2jhb s TYR 31 N -0.52 2.91 0.00 4.03 6.14 0.03 -0.23 117.35 129.71 2jhb s TYR 31 Ca -0.06 1.21 0.00 0.00 0.64 0.00 0.00 57.07 58.85 2jhb s TYR 31 Cb -0.04 -3.83 0.00 0.00 0.42 0.00 0.00 41.96 38.51 2jhb s TYR 31 CO 0.02 -2.47 0.00 0.25 0.64 0.00 0.00 175.55 173.99 2jhb n THR 32 N 1.23 0.00 0.00 4.34 -2.24 -0.58 -4.80 114.28 112.23 2jhb n THR 32 Ca 0.03 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2jhb n THR 32 Cb 0.40 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 2jhb n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jhb n GLY 33 N 1.36 -1.94 0.35 3.38 0.00 -0.38 -4.72 105.19 103.24 2jhb n GLY 33 Ca 0.00 -1.18 0.17 0.00 0.00 0.00 0.00 46.02 45.01 2jhb n GLY 33 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jhb h PHE 34 N -0.10 0.00 0.00 1.61 3.04 -1.95 -2.55 116.94 117.00 2jhb h PHE 34 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jhb h PHE 34 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 2jhb h PHE 34 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 178.31 179.18 2jhb n ARG 35 N -3.17 0.07 0.27 1.11 -4.01 -1.26 -0.93 116.66 108.74 2jhb n ARG 35 Ca 0.00 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 56.94 2jhb n ARG 35 Cb 0.41 -1.05 0.77 0.00 -3.04 0.00 0.00 32.46 29.54 2jhb n ARG 35 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 2jhb h ASP 36 N 0.00 0.00 -3.96 2.89 1.82 -1.74 -3.43 116.42 112.00 2jhb h ASP 36 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.10 2jhb h ASP 36 Cb 0.00 0.00 0.11 0.00 0.68 0.00 0.00 39.33 40.12 2jhb h ASP 36 CO 0.00 0.07 0.76 -0.13 -1.61 0.00 0.00 179.24 178.33 2jhb s ARG 37 N -4.51 3.94 0.89 0.28 1.81 -0.11 -4.98 118.95 116.27 2jhb s ARG 37 Ca -0.04 2.53 -0.11 0.00 -1.72 0.00 0.00 55.73 56.40 2jhb s ARG 37 Cb 0.15 -2.85 0.12 0.00 -0.45 0.00 0.00 34.95 31.92 2jhb s ARG 37 CO 0.59 -0.65 1.10 -1.25 -0.68 0.00 0.00 175.30 174.41 2jhb s PRO 38 N -2.24 1.32 0.93 3.54 0.04 -1.26 -4.97 135.00 132.36 2jhb s PRO 38 Ca 0.56 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 2jhb s PRO 38 Cb -0.46 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.44 2jhb s PRO 38 CO 0.61 -2.30 1.09 -1.01 0.04 0.00 0.00 177.00 175.44 2jhb s HIS 39 N -2.79 2.26 0.00 0.56 3.76 -1.26 -4.62 115.29 113.20 2jhb s HIS 39 Ca 0.64 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 2jhb s HIS 39 Cb -0.20 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.28 2jhb s HIS 39 CO 0.58 -2.57 0.00 -1.91 -0.85 0.00 0.00 174.74 169.99 2jhb n GLU 40 N -3.98 0.00 0.00 1.40 2.13 -1.26 -4.89 120.64 114.04 2jhb n GLU 40 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2jhb n GLU 40 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 2jhb n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jhb n GLU 41 N -0.02 0.00 0.17 5.31 2.13 -1.26 -4.94 120.64 122.03 2jhb n GLU 41 Ca 0.00 -0.24 0.09 0.00 0.66 0.00 0.00 57.16 57.67 2jhb n GLU 41 Cb 0.00 -0.26 0.09 0.00 0.27 0.00 0.00 31.44 31.53 2jhb n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jhb h ARG 42 N 0.00 0.00 -0.38 5.31 -0.00 -1.90 -3.38 114.38 114.03 2jhb h ARG 42 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.41 2jhb h ARG 42 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.92 2jhb h ARG 42 CO 0.00 0.11 -0.03 1.96 0.00 0.00 0.00 179.97 182.01 2jhb h GLN 43 N 0.00 0.69 0.11 0.04 7.50 -1.92 0.24 115.11 121.78 2jhb h GLN 43 Ca -0.01 -0.24 -0.31 0.00 0.50 0.00 0.00 58.65 58.59 2jhb h GLN 43 Cb 1.11 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.58 2jhb h GLN 43 CO 0.02 0.81 -1.58 1.15 -1.50 0.00 0.00 178.83 177.72 2jhb h THR 44 N 0.50 1.08 -0.49 -0.54 2.02 -1.99 -3.32 112.91 110.17 2jhb h THR 44 Ca 0.10 -2.75 0.08 0.00 0.77 0.00 0.00 66.41 64.62 2jhb h THR 44 Cb 0.52 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.61 2jhb h THR 44 CO 0.03 0.80 0.33 -0.09 0.37 0.00 0.00 175.52 176.96 2jhb h ARG 45 N 0.06 0.33 -0.24 6.66 9.65 -1.69 -0.81 114.38 128.34 2jhb h ARG 45 Ca -0.26 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.66 2jhb h ARG 45 Cb 2.02 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 30.46 2jhb h ARG 45 CO 0.15 0.22 -0.18 0.35 2.80 0.00 0.00 179.97 183.31 2jhb h PHE 46 N 0.34 -0.46 -0.42 2.20 3.57 -0.62 0.48 116.94 122.02 2jhb h PHE 46 Ca 0.22 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2jhb h PHE 46 Cb 0.44 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2jhb h PHE 46 CO -0.00 -0.26 0.22 1.96 -2.23 0.00 0.00 178.31 178.00 2jhb h GLN 47 N -0.17 0.57 -0.01 1.11 7.50 -1.32 -1.04 115.11 121.75 2jhb h GLN 47 Ca 0.14 -0.06 -0.18 0.00 0.50 0.00 0.00 58.65 59.06 2jhb h GLN 47 Cb 0.38 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 2jhb h GLN 47 CO -0.35 0.43 -0.79 -0.91 -1.50 0.00 0.00 178.83 175.72 2jhb h ASN 48 N 0.58 0.18 0.08 1.46 2.35 0.06 0.44 115.58 120.74 2jhb h ASN 48 Ca 0.15 -0.14 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 2jhb h ASN 48 Cb 0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2jhb h ASN 48 CO -0.02 0.89 -0.54 0.00 -1.65 0.00 0.00 177.43 176.11 2jhb h ALA 49 N 1.10 0.75 0.00 -0.83 0.00 0.07 0.35 119.26 120.70 2jhb h ALA 49 Ca -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2jhb h ALA 49 Cb 1.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jhb h ALA 49 CO 0.11 0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.95 2jhb n ARG 51 N -3.50 0.43 -0.28 0.00 0.63 0.13 -3.53 116.66 110.54 2jhb n ARG 51 Ca -0.01 -0.06 0.09 0.00 -0.92 0.00 0.00 57.85 56.95 2jhb n ARG 51 Cb 0.25 -1.58 0.33 0.00 0.45 0.00 0.00 32.46 31.90 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 0.75 0.00 6.15 3.58 -0.29 0.26 116.42 126.86 2jhb h ASP 52 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2jhb h ASP 52 Cb 0.83 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2jhb h ASP 52 CO 0.00 0.42 0.00 0.61 -2.88 0.00 0.00 179.24 177.39 2jhb n GLY 53 N -1.41 0.75 3.49 -0.78 0.00 -1.23 -0.62 105.19 105.38 2jhb n GLY 53 Ca 0.16 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 -4.01 1.61 -4.01 -1.26 -3.89 116.66 103.10 2jhb n ARG 54 Ca 0.00 -0.55 -0.14 0.00 -1.04 0.00 0.00 57.85 56.13 2jhb n ARG 54 Cb 0.00 -2.17 -0.02 0.00 -3.04 0.00 0.00 32.46 27.23 2jhb n ARG 54 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 2jhb s SER 55 N -2.40 0.79 -0.24 2.89 0.01 0.80 -4.66 113.70 110.89 2jhb s SER 55 Ca 0.67 -1.46 0.02 0.00 1.31 0.00 0.00 55.95 56.49 2jhb s SER 55 Cb -0.24 0.74 0.04 0.00 0.21 0.00 0.00 66.02 66.77 2jhb s SER 55 CO 0.64 -1.45 -0.12 -1.61 0.41 0.00 0.00 173.24 171.10 2jhb s GLU 56 N -2.67 2.54 0.19 12.44 2.02 -1.26 -0.77 118.70 131.19 2jhb s GLU 56 Ca 0.27 -1.15 0.11 0.00 0.02 0.00 0.00 54.97 54.21 2jhb s GLU 56 Cb -0.02 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 2jhb s GLU 56 CO 0.19 -0.45 -0.22 0.42 0.02 0.00 0.00 175.26 175.22 2jhb s ILE 57 N 1.19 2.21 0.28 -1.63 1.01 -0.58 -1.25 121.20 122.43 2jhb s ILE 57 Ca -0.04 -2.02 0.05 0.00 0.00 0.00 0.00 60.65 58.65 2jhb s ILE 57 Cb -0.18 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.18 2jhb s ILE 57 CO -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 174.94 174.66 2jhb s ALA 58 N -1.82 2.28 -0.08 9.38 0.00 0.67 -0.16 121.76 132.03 2jhb s ALA 58 Ca 0.20 -1.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.06 2jhb s ALA 58 Cb -0.07 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 2jhb s ALA 58 CO 0.09 -0.16 0.46 -0.06 0.00 0.00 0.00 175.76 176.10 2jhb s PHE 59 N -3.14 3.57 0.23 0.00 0.40 -1.02 -0.73 117.98 117.29 2jhb s PHE 59 Ca 0.31 0.93 0.06 0.00 -0.60 0.00 0.00 56.93 57.63 2jhb s PHE 59 Cb 0.05 -2.49 0.22 0.00 0.51 0.00 0.00 43.02 41.31 2jhb s PHE 59 CO 0.12 0.29 1.53 0.28 0.70 0.00 0.00 175.22 178.14 2jhb h VAL 60 N 4.45 1.44 0.00 -0.44 2.07 -1.23 0.35 116.25 122.89 2jhb h VAL 60 Ca -0.44 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 64.89 2jhb h VAL 60 Cb 1.19 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2jhb h VAL 60 CO 0.72 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.95 2jhb n ALA 61 N -2.45 1.04 0.00 1.67 0.00 -0.82 -4.02 120.51 115.93 2jhb n ALA 61 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2jhb n ALA 61 Cb 0.66 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2jhb n ALA 61 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jhb n THR 62 N -2.27 0.00 -2.33 0.00 -1.04 -1.23 -5.04 114.28 102.36 2jhb n THR 62 Ca -0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.96 2jhb n THR 62 Cb 0.04 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.56 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 -0.45 -0.47 3.14 3.41 0.00 0.12 -5.04 105.19 105.91 2jhb n GLY 63 Ca 0.00 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.09 3.01 -0.04 2.61 2.01 -1.24 -4.93 115.64 113.96 2jhb s THR 64 Ca 0.11 -1.68 -0.30 0.00 0.31 0.00 0.00 61.69 60.13 2jhb s THR 64 Cb -0.01 -2.87 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 2jhb s THR 64 CO 0.37 -0.33 1.61 0.21 -0.69 0.00 0.00 174.62 175.79 2jhb s ASN 65 N 1.39 6.69 -0.15 3.53 2.47 -1.26 -2.43 114.94 125.18 2jhb s ASN 65 Ca 0.00 2.23 -0.03 0.00 0.42 0.00 0.00 52.86 55.49 2jhb s ASN 65 Cb -0.21 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.10 2jhb s ASN 65 CO -0.03 -0.89 0.03 -0.22 -3.72 0.00 0.00 177.10 172.28 2jhb s LEU 66 N 3.63 0.86 -0.74 3.21 0.20 0.78 -4.97 118.68 121.65 2jhb s LEU 66 Ca 0.71 -0.55 -0.27 0.00 0.69 0.00 0.00 54.13 54.72 2jhb s LEU 66 Cb -0.33 -0.49 0.02 0.00 -0.43 0.00 0.00 46.19 44.96 2jhb s LEU 66 CO 0.29 -0.28 1.41 -0.44 -0.29 0.00 0.00 176.35 177.05 2jhb s SER 67 N 1.94 6.00 0.36 3.68 0.01 -1.26 -1.53 113.70 122.89 2jhb s SER 67 Ca 0.01 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.63 2jhb s SER 67 Cb -0.15 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 2jhb s SER 67 CO -0.07 -1.93 1.04 -0.76 0.41 0.00 0.00 173.24 171.92 2jhb s LEU 68 N 6.39 4.28 -0.46 2.44 1.43 0.05 -4.89 118.68 127.92 2jhb s LEU 68 Ca 0.43 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.61 2jhb s LEU 68 Cb -0.08 -4.02 0.15 0.00 0.03 0.00 0.00 46.19 42.27 2jhb s LEU 68 CO 0.14 -0.33 0.30 -1.10 0.23 0.00 0.00 176.35 175.59 2jhb s GLN 69 N -2.16 1.30 -1.26 1.70 -0.21 -1.26 -0.14 119.66 117.63 2jhb s GLN 69 Ca 0.53 -2.16 -0.18 0.00 0.02 0.00 0.00 55.36 53.57 2jhb s GLN 69 Cb -0.24 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.59 2jhb s GLN 69 CO 0.30 -1.24 1.97 1.19 -2.12 0.00 0.00 175.29 175.40 2jhb n PHE 70 N 3.20 3.55 -3.54 0.91 3.01 -1.25 -4.35 117.46 118.98 2jhb n PHE 70 Ca 0.16 -2.54 -0.16 0.00 1.01 0.00 0.00 57.45 55.92 2jhb n PHE 70 Cb 0.38 -2.46 -0.13 0.00 -0.01 0.00 0.00 39.48 37.26 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 4.92 -0.33 0.70 1.38 -0.71 -1.26 -4.70 117.98 117.98 2jhb s PHE 71 Ca 0.54 0.48 -0.14 0.00 -1.04 0.00 0.00 56.93 56.77 2jhb s PHE 71 Cb 0.09 -0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.67 2jhb s PHE 71 CO 0.03 -0.51 1.13 -1.25 -1.34 0.00 0.00 175.22 173.28 2jhb s PRO 72 N 2.36 2.49 0.48 1.99 0.04 -1.26 -4.67 135.00 136.43 2jhb s PRO 72 Ca 0.05 1.47 0.28 0.00 0.04 0.00 0.00 61.00 62.84 2jhb s PRO 72 Cb -0.14 -1.90 1.06 0.00 0.04 0.00 0.00 34.50 33.55 2jhb s PRO 72 CO -0.11 -1.51 1.88 0.00 0.04 0.00 0.00 177.00 177.30 2jhb h ALA 73 N -0.25 1.01 -2.33 8.56 0.00 -1.99 -3.27 119.26 121.00 2jhb h ALA 73 Ca -0.46 -0.12 -0.65 0.00 0.00 0.00 0.00 54.91 53.68 2jhb h ALA 73 Cb 1.26 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 2jhb h ALA 73 CO 0.52 0.16 0.04 -1.12 0.00 0.00 0.00 179.25 178.85 2jhb s SER 74 N -6.01 6.33 0.12 0.00 0.01 -1.26 -5.03 113.70 107.87 2jhb s SER 74 Ca 0.01 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.01 2jhb s SER 74 Cb 0.10 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 64.04 2jhb s SER 74 CO 0.60 -0.61 0.30 -1.66 0.41 0.00 0.00 173.24 172.28 2jhb s TRP 75 N 2.58 0.09 0.00 2.43 1.48 -1.24 -5.11 118.94 119.18 2jhb s TRP 75 Ca 0.21 -0.47 0.00 0.00 -1.06 0.00 0.00 56.10 54.78 2jhb s TRP 75 Cb -0.15 0.06 0.00 0.00 -1.16 0.00 0.00 33.47 32.23 2jhb s TRP 75 CO 0.15 -0.66 0.71 0.00 -4.06 0.00 0.00 176.95 173.10 2jhb n GLN 76 N -0.16 0.00 0.00 3.25 0.00 -1.26 -4.97 117.38 114.24 2jhb n GLN 76 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 57.00 57.14 2jhb n GLN 76 Cb 0.63 -1.23 0.00 0.00 0.00 0.00 0.00 30.24 29.64 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 -0.53 -0.40 1.46 2.61 0.00 -1.26 -5.14 105.19 101.93 2jhb n GLY 77 Ca 0.00 0.55 0.20 0.00 0.00 0.00 0.00 46.02 46.77 2jhb n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jhb n GLU 78 N 0.00 -2.94 -4.03 1.61 2.13 -1.26 -4.90 120.64 111.24 2jhb n GLU 78 Ca 0.00 1.94 -0.44 0.00 0.66 0.00 0.00 57.16 59.32 2jhb n GLU 78 Cb 0.00 -3.59 0.02 0.00 0.27 0.00 0.00 31.44 28.14 2jhb n GLU 78 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2jhb n GLN 79 N -4.28 -0.46 -1.61 5.31 -0.06 0.21 -4.71 117.38 111.77 2jhb n GLN 79 Ca 0.01 0.14 -0.48 0.00 -2.00 0.00 0.00 57.00 54.67 2jhb n GLN 79 Cb 0.67 -2.85 -0.04 0.00 -4.06 0.00 0.00 30.24 23.97 2jhb n GLN 79 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2jhb n ARG 80 N -4.90 1.47 0.04 3.69 1.74 0.90 -4.89 116.66 114.70 2jhb n ARG 80 Ca -0.12 0.52 -0.13 0.00 -0.77 0.00 0.00 57.85 57.36 2jhb n ARG 80 Cb 0.57 -2.09 -0.08 0.00 -1.02 0.00 0.00 32.46 29.84 2jhb n ARG 80 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 2jhb h GLN 81 N 3.80 -0.06 -2.77 5.56 3.07 -1.89 -3.41 115.11 119.41 2jhb h GLN 81 Ca -0.44 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.16 2jhb h GLN 81 Cb 1.32 0.01 -0.28 0.00 0.08 0.00 0.00 27.48 28.62 2jhb h GLN 81 CO 0.73 0.13 -0.37 0.99 0.09 0.00 0.00 178.83 180.40 2jhb s THR 82 N -5.46 -0.05 0.00 1.86 2.01 -1.26 -5.18 115.64 107.55 2jhb s THR 82 Ca -0.14 0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2jhb s THR 82 Cb 0.04 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 72.02 2jhb s THR 82 CO 0.66 0.05 0.00 -2.65 -0.69 0.00 0.00 174.62 171.98 2jhb n PRO 83 N 4.29 -1.65 -2.22 4.92 -0.02 -1.26 -5.06 135.00 134.00 2jhb n PRO 83 Ca -0.24 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 60.96 2jhb n PRO 83 Cb 0.54 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.05 2jhb n PRO 83 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jhb s SER 84 N -1.92 5.77 -0.01 2.55 0.01 -1.26 -4.94 113.70 113.90 2jhb s SER 84 Ca 0.00 0.97 -0.24 0.00 1.31 0.00 0.00 55.95 57.99 2jhb s SER 84 Cb 0.00 -1.98 -0.16 0.00 0.21 0.00 0.00 66.02 64.09 2jhb s SER 84 CO 0.00 -1.02 1.15 -0.09 0.41 0.00 0.00 173.24 173.69 2jhb h ARG 85 N -0.26 -0.33 0.00 12.44 2.43 -1.84 -0.90 114.38 125.92 2jhb h ARG 85 Ca -0.45 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 2jhb h ARG 85 Cb 1.24 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2jhb h ARG 85 CO 0.62 0.02 -0.08 1.49 -1.51 0.00 0.00 179.97 180.51 2jhb h GLU 86 N -0.76 0.00 0.21 0.20 4.57 -1.92 -3.08 114.58 113.80 2jhb h GLU 86 Ca -0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2jhb h GLU 86 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2jhb h GLU 86 CO 0.06 0.08 -0.10 1.88 -1.18 0.00 0.00 179.01 179.74 2jhb h TYR 87 N 0.00 -0.26 -2.95 0.92 -1.99 -1.64 -2.61 116.97 108.44 2jhb h TYR 87 Ca -0.00 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.63 2jhb h TYR 87 Cb 0.41 0.09 -0.18 0.00 2.00 0.00 0.00 36.73 39.05 2jhb h TYR 87 CO 0.00 -0.16 -0.15 0.08 -0.00 0.00 0.00 178.16 177.93 2jhb s VAL 88 N -2.77 0.05 -0.25 -2.88 1.01 -0.39 -1.72 120.40 113.45 2jhb s VAL 88 Ca -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 2jhb s VAL 88 Cb 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.55 2jhb s VAL 88 CO 0.12 -0.24 0.17 -0.67 0.00 0.00 0.00 175.10 174.48 2jhb n ASP 89 N 0.81 -6.17 -2.17 3.32 2.03 -1.26 -4.26 116.55 108.85 2jhb n ASP 89 Ca -0.20 0.75 -0.08 0.00 0.52 0.00 0.00 54.79 55.78 2jhb n ASP 89 Cb 0.58 -4.03 0.05 0.00 -0.72 0.00 0.00 41.12 37.00 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 0.15 2.94 -0.06 -2.67 -0.00 -1.26 -4.70 117.00 111.39 2jhb n LEU 90 Ca 0.03 -3.68 -0.01 0.00 -0.00 0.00 0.00 56.01 52.36 2jhb n LEU 90 Cb 0.13 0.02 -0.00 0.00 -0.00 0.00 0.00 43.42 43.56 2jhb n LEU 90 CO 0.32 1.44 -0.01 1.21 -0.00 0.00 0.00 177.39 180.35 2jhb n GLU 91 N -0.58 -1.34 -1.50 1.47 2.13 -1.26 -4.15 120.64 115.40 2jhb n GLU 91 Ca 0.23 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2jhb n GLU 91 Cb 0.89 -4.40 0.00 0.00 0.27 0.00 0.00 31.44 28.20 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 -0.40 -3.91 0.00 5.31 5.12 -1.26 -5.07 116.66 116.45 2jhb n ARG 92 Ca -0.01 2.87 0.00 0.00 -1.93 0.00 0.00 57.85 58.78 2jhb n ARG 92 Cb 0.35 -3.03 0.00 0.00 -1.16 0.00 0.00 32.46 28.62 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2jhb n GLU 93 N 0.87 0.21 -1.85 5.56 4.07 0.09 -4.87 120.64 124.72 2jhb n GLU 93 Ca 0.00 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.88 2jhb n GLU 93 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 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 -3.72 1.17 -0.07 4.31 0.00 -1.26 -3.73 121.76 118.46 2jhb s ALA 94 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2jhb s ALA 94 Cb 0.00 -4.69 0.00 0.00 0.00 0.00 0.00 23.12 18.43 2jhb s ALA 94 CO 0.00 -6.05 0.00 0.41 0.00 0.00 0.00 175.76 170.12 2jhb n GLY 95 N 5.95 0.06 3.51 0.00 0.00 -1.26 -4.95 105.19 108.50 2jhb n GLY 95 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 2jhb n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s LYS 96 N -1.81 1.76 -0.02 1.61 -2.85 -1.24 -1.32 119.74 115.86 2jhb s LYS 96 Ca 0.00 -1.98 0.07 0.00 -1.00 0.00 0.00 55.97 53.06 2jhb s LYS 96 Cb 0.00 -1.15 -0.02 0.00 -2.06 0.00 0.00 37.83 34.61 2jhb s LYS 96 CO 0.00 -0.13 -0.23 0.54 0.10 0.00 0.00 175.35 175.63 2jhb s VAL 97 N -3.08 1.84 0.30 1.79 0.11 0.21 -0.73 120.40 120.85 2jhb s VAL 97 Ca 0.36 -0.99 -0.21 0.00 -2.93 0.00 0.00 61.98 58.21 2jhb s VAL 97 Cb 0.09 -1.53 -0.09 0.00 -1.53 0.00 0.00 36.38 33.31 2jhb s VAL 97 CO 0.16 0.52 0.82 -0.31 -3.33 0.00 0.00 175.10 172.97 2jhb s TYR 98 N -0.47 3.55 0.01 1.54 1.51 -1.26 -0.36 117.35 121.87 2jhb s TYR 98 Ca 0.07 1.50 -0.04 0.00 -1.01 0.00 0.00 57.07 57.59 2jhb s TYR 98 Cb -0.10 -2.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.02 2jhb s TYR 98 CO -0.00 0.18 0.07 -0.51 -1.11 0.00 0.00 175.55 174.17 2jhb s LEU 99 N -2.39 1.84 -0.28 -1.29 1.43 -0.51 -4.53 118.68 112.95 2jhb s LEU 99 Ca 0.50 -0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 2jhb s LEU 99 Cb -0.15 0.41 0.10 0.00 0.03 0.00 0.00 46.19 46.58 2jhb s LEU 99 CO 0.20 -0.31 0.85 -0.75 0.23 0.00 0.00 176.35 176.57 2jhb s LYS 100 N -1.27 0.66 -0.16 1.70 2.20 -0.70 -1.22 119.74 120.95 2jhb s LYS 100 Ca -0.14 0.85 -0.04 0.00 -0.36 0.00 0.00 55.97 56.28 2jhb s LYS 100 Cb -0.08 0.29 0.08 0.00 -1.51 0.00 0.00 37.83 36.61 2jhb s LYS 100 CO 0.00 -0.09 0.27 0.00 -0.36 0.00 0.00 175.35 175.17 2jhb s ALA 101 N 0.56 -0.56 0.18 3.13 0.00 0.15 -4.40 121.76 120.82 2jhb s ALA 101 Ca -0.01 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 2jhb s ALA 101 Cb -0.05 -1.18 -0.10 0.00 0.00 0.00 0.00 23.12 21.80 2jhb s ALA 101 CO -0.06 -0.85 1.48 -1.25 0.00 0.00 0.00 175.76 175.09 2jhb s PRO 102 N 2.42 4.26 0.57 0.00 0.04 -1.26 -0.90 135.00 140.12 2jhb s PRO 102 Ca 0.04 2.27 0.07 0.00 0.04 0.00 0.00 61.00 63.42 2jhb s PRO 102 Cb -0.13 -3.16 0.08 0.00 0.04 0.00 0.00 34.50 31.32 2jhb s PRO 102 CO -0.10 -0.51 0.79 -1.64 0.04 0.00 0.00 177.00 175.58 2jhb s MET 103 N 0.68 2.29 -0.29 4.56 -1.94 0.51 -4.67 119.30 120.44 2jhb s MET 103 Ca 0.65 -1.44 -0.04 0.00 -1.71 0.00 0.00 55.69 53.15 2jhb s MET 103 Cb -0.41 -2.60 0.10 0.00 2.01 0.00 0.00 34.83 33.92 2jhb s MET 103 CO 0.34 -0.86 0.13 0.42 -0.01 0.00 0.00 175.02 175.05 2jhb s ILE 104 N -2.70 -0.06 -0.24 2.53 1.01 -1.26 -4.00 121.20 116.48 2jhb s ILE 104 Ca 0.61 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2jhb s ILE 104 Cb -0.07 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.45 2jhb s ILE 104 CO 0.39 -0.74 -0.10 -0.76 0.00 0.00 0.00 174.94 173.72 2jhb s LEU 105 N 2.05 3.04 0.00 2.97 2.01 -0.91 -4.64 118.68 123.20 2jhb s LEU 105 Ca 0.09 -0.98 0.00 0.00 0.01 0.00 0.00 54.13 53.26 2jhb s LEU 105 Cb -0.16 -1.59 0.00 0.00 0.01 0.00 0.00 46.19 44.44 2jhb s LEU 105 CO -0.35 -0.12 0.00 0.59 1.01 0.00 0.00 176.35 177.48 2jhb n ASN 106 N 4.59 0.00 0.00 2.29 3.02 -1.26 -1.40 115.26 122.51 2jhb n ASN 106 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2jhb n ASN 106 Cb 0.46 -1.91 0.00 0.00 -0.61 0.00 0.00 39.78 37.72 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 -1.83 1.00 3.59 7.41 0.00 -1.26 -4.38 105.19 109.71 2jhb n GLY 107 Ca 0.00 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 -2.00 4.83 -1.20 1.61 1.01 -0.49 -2.31 120.40 121.85 2jhb s VAL 108 Ca 0.00 0.84 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 2jhb s VAL 108 Cb 0.00 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2jhb s VAL 108 CO 0.00 -0.31 1.89 0.00 0.00 0.00 0.00 175.10 176.68 2jhb s VAL 110 N 7.05 4.61 -0.04 0.00 -7.23 -1.26 -1.88 120.40 121.66 2jhb s VAL 110 Ca 0.60 1.03 -0.20 0.00 -1.81 0.00 0.00 61.98 61.61 2jhb s VAL 110 Cb 0.05 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 2jhb s VAL 110 CO 0.09 -0.44 0.55 -0.63 -0.31 0.00 0.00 175.10 174.36 2jhb s ILE 111 N -2.31 5.00 -0.17 -0.62 1.01 0.57 -0.36 121.20 124.32 2jhb s ILE 111 Ca 0.56 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 62.23 2jhb s ILE 111 Cb -0.10 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2jhb s ILE 111 CO 0.24 0.40 0.24 0.86 0.00 0.00 0.00 174.94 176.68 2jhb s TRP 112 N -0.02 3.45 0.15 3.97 -0.00 -0.08 -0.59 118.94 125.82 2jhb s TRP 112 Ca 0.29 0.51 0.03 0.00 -0.00 0.00 0.00 56.10 56.93 2jhb s TRP 112 Cb -0.17 -2.27 -0.04 0.00 -0.00 0.00 0.00 33.47 30.98 2jhb s TRP 112 CO 0.15 0.27 -0.05 -1.59 -0.00 0.00 0.00 176.95 175.74 2jhb s LYS 113 N 0.37 1.03 0.00 5.86 -2.85 -0.39 -0.67 119.74 123.08 2jhb s LYS 113 Ca 0.14 -1.46 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 2jhb s LYS 113 Cb -0.12 -0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.27 2jhb s LYS 113 CO 0.02 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.85 2jhb n GLY 114 N -0.18 -1.25 3.02 0.59 0.00 -0.36 -0.80 105.19 106.21 2jhb n GLY 114 Ca -0.09 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 1.00 -0.40 1.61 -2.14 0.72 -1.42 118.94 115.31 2jhb s TRP 115 Ca 0.00 -0.24 -0.10 0.00 2.66 0.00 0.00 56.10 58.42 2jhb s TRP 115 Cb 0.00 -0.70 0.05 0.00 -3.10 0.00 0.00 33.47 29.73 2jhb s TRP 115 CO 0.00 -0.09 0.24 0.42 -2.66 0.00 0.00 176.95 174.86 2jhb s ILE 116 N 0.09 4.42 0.16 0.66 -1.09 0.52 -0.89 121.20 125.07 2jhb s ILE 116 Ca -0.02 -1.13 -0.34 0.00 -2.23 0.00 0.00 60.65 56.93 2jhb s ILE 116 Cb -0.08 -3.58 -0.15 0.00 -1.58 0.00 0.00 42.46 37.07 2jhb s ILE 116 CO 0.00 -0.38 1.46 -0.67 -1.23 0.00 0.00 174.94 174.13 2jhb n ASP 117 N 4.96 2.57 0.00 3.58 -0.08 0.66 -0.62 116.55 127.62 2jhb n ASP 117 Ca -0.11 1.11 0.10 0.00 -1.51 0.00 0.00 54.79 54.38 2jhb n ASP 117 Cb 0.44 -1.36 0.58 0.00 2.34 0.00 0.00 41.12 43.12 2jhb n ASP 117 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2jhb n LEU 118 N 2.88 0.00 0.30 -2.67 4.77 -0.44 -2.13 117.00 119.72 2jhb n LEU 118 Ca 0.16 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 2jhb n LEU 118 Cb 0.27 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2jhb n LEU 118 CO 0.63 -0.04 0.50 1.12 -1.33 0.00 0.00 177.39 178.27 2jhb h HIS 119 N 0.00 -0.72 0.00 -1.77 2.07 -1.89 -3.38 115.15 109.46 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 0.08 0.24 0.00 0.00 2.57 0.00 0.00 27.41 30.30 2jhb h HIS 119 CO 0.00 -0.39 0.00 0.54 -3.07 0.00 0.00 177.93 175.01 2jhb n ARG 120 N -5.34 1.60 -3.03 5.12 5.12 -1.26 -4.98 116.66 113.89 2jhb n ARG 120 Ca -0.12 -0.32 -0.13 0.00 -1.93 0.00 0.00 57.85 55.36 2jhb n ARG 120 Cb 0.34 -0.81 0.05 0.00 -1.16 0.00 0.00 32.46 30.88 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 -0.32 -2.99 0.00 0.55 7.99 -0.90 -4.90 117.00 116.43 2jhb n LEU 121 Ca 0.00 -0.34 -0.19 0.00 -0.01 0.00 0.00 56.01 55.47 2jhb n LEU 121 Cb 0.01 -2.03 0.03 0.00 -0.11 0.00 0.00 43.42 41.32 2jhb n LEU 121 CO 0.00 0.32 0.19 -0.67 -1.51 0.00 0.00 177.39 175.73 2jhb n ASP 122 N -1.62 2.13 0.00 -1.43 -0.08 -1.21 -0.79 116.55 113.55 2jhb n ASP 122 Ca -0.07 -2.46 0.00 0.00 -1.51 0.00 0.00 54.79 50.76 2jhb n ASP 122 Cb 0.56 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.81 2jhb n ASP 122 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jhb n GLY 123 N -0.86 -0.20 3.30 0.27 0.00 -0.53 -0.25 105.19 106.92 2jhb n GLY 123 Ca 0.07 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 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 1.46 0.36 1.61 -1.94 -0.07 -0.64 119.30 118.08 2jhb s MET 124 Ca 0.00 -1.07 -0.13 0.00 -1.71 0.00 0.00 55.69 52.78 2jhb s MET 124 Cb 0.00 -1.66 0.04 0.00 2.01 0.00 0.00 34.83 35.22 2jhb s MET 124 CO 0.00 0.42 0.70 0.20 -0.01 0.00 0.00 175.02 176.33 2jhb s GLY 125 N -1.41 0.57 0.00 -0.03 0.00 0.52 -0.20 107.32 106.76 2jhb s GLY 125 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2jhb s GLY 125 CO 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 173.10 172.68 2jhb s LEU 127 N 0.00 2.55 0.31 0.00 1.43 -1.26 -1.27 118.68 120.44 2jhb s LEU 127 Ca 0.00 -1.00 0.05 0.00 -1.03 0.00 0.00 54.13 52.16 2jhb s LEU 127 Cb 0.00 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2jhb s LEU 127 CO 0.00 -0.01 0.26 -0.70 0.23 0.00 0.00 176.35 176.13 2jhb s GLU 128 N -3.40 1.66 0.29 1.70 2.56 0.25 -4.64 118.70 117.12 2jhb s GLU 128 Ca 0.26 -1.94 -0.01 0.00 0.00 0.00 0.00 54.97 53.29 2jhb s GLU 128 Cb -0.04 0.32 -0.04 0.00 2.00 0.00 0.00 34.13 36.37 2jhb s GLU 128 CO 0.12 -0.61 0.50 0.12 -0.56 0.00 0.00 175.26 174.83 2jhb s PHE 129 N -3.57 3.49 -0.30 5.30 5.36 -1.26 -0.31 117.98 126.68 2jhb s PHE 129 Ca 0.40 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 2jhb s PHE 129 Cb 0.03 -1.90 0.09 0.00 -0.34 0.00 0.00 43.02 40.90 2jhb s PHE 129 CO 0.25 0.22 0.07 0.34 -1.46 0.00 0.00 175.22 174.63 2jhb s ASP 130 N -3.65 4.11 0.25 6.13 -1.08 -0.79 -4.56 116.67 117.09 2jhb s ASP 130 Ca 0.40 -1.66 -0.04 0.00 -0.52 0.00 0.00 52.55 50.73 2jhb s ASP 130 Cb -0.10 -1.04 0.40 0.00 -1.46 0.00 0.00 42.92 40.72 2jhb s ASP 130 CO 0.33 -0.39 1.82 -0.08 0.52 0.00 0.00 175.17 177.37 2jhb h GLU 131 N 7.98 0.81 0.15 4.34 4.81 -1.99 -0.73 114.58 129.95 2jhb h GLU 131 Ca -0.12 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.86 2jhb h GLU 131 Cb 1.03 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 30.25 2jhb h GLU 131 CO 0.47 0.53 -0.89 1.49 -0.73 0.00 0.00 179.01 179.88 2jhb h GLU 132 N 0.83 0.34 -0.18 1.92 4.81 -1.96 -1.03 114.58 119.31 2jhb h GLU 132 Ca 0.40 -0.57 -0.12 0.00 -0.13 0.00 0.00 59.36 58.94 2jhb h GLU 132 Cb 0.34 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2jhb h GLU 132 CO -0.24 1.27 -0.41 0.00 -0.73 0.00 0.00 179.01 178.90 2jhb h ARG 133 N -0.29 0.42 -0.17 1.92 2.47 -1.92 0.12 114.38 116.94 2jhb h ARG 133 Ca -0.15 -0.21 0.01 0.00 -1.26 0.00 0.00 59.98 58.36 2jhb h ARG 133 Cb 1.70 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.01 2jhb h ARG 133 CO 0.17 0.77 0.08 0.00 0.56 0.00 0.00 179.97 181.54 2jhb h ALA 134 N 1.21 0.20 -0.05 0.04 0.00 -1.15 -0.99 119.26 118.52 2jhb h ALA 134 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jhb h ALA 134 Cb 0.87 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jhb h ALA 134 CO 0.07 -0.35 -0.19 1.96 0.00 0.00 0.00 179.25 180.75 2jhb h GLN 135 N 0.18 0.07 0.24 0.00 4.20 -0.78 -0.07 115.11 118.95 2jhb h GLN 135 Ca 0.07 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2jhb h GLN 135 Cb 0.02 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2jhb h GLN 135 CO -0.05 0.26 -0.11 1.96 -0.67 0.00 0.00 178.83 180.22 2jhb h GLN 136 N 0.07 -0.31 -0.18 1.46 7.50 -0.27 -2.45 115.11 120.94 2jhb h GLN 136 Ca 0.01 0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.12 2jhb h GLN 136 Cb 0.38 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 2jhb h GLN 136 CO 0.03 -0.15 -0.18 1.49 -1.50 0.00 0.00 178.83 178.52 2jhb h GLU 137 N -0.40 0.30 -0.43 1.46 4.57 -0.52 -0.32 114.58 119.24 2jhb h GLU 137 Ca -0.03 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 2jhb h GLU 137 Cb 0.30 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2jhb h GLU 137 CO 0.05 0.48 0.07 -0.44 -1.18 0.00 0.00 179.01 177.99 2jhb h ASP 138 N 0.28 0.68 -0.60 1.04 3.32 -1.03 -0.12 116.42 119.99 2jhb h ASP 138 Ca 0.05 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 2jhb h ASP 138 Cb 0.48 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2jhb h ASP 138 CO 0.03 0.76 0.02 0.00 -1.72 0.00 0.00 179.24 178.34 2jhb h ALA 139 N 0.94 0.88 0.00 3.45 0.00 -0.92 -2.97 119.26 120.65 2jhb h ALA 139 Ca 0.13 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2jhb h ALA 139 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jhb h ALA 139 CO 0.01 0.66 -0.27 -0.07 0.00 0.00 0.00 179.25 179.58 2jhb h LEU 140 N 0.97 0.00 -5.88 0.00 3.38 -0.86 -1.20 115.31 111.71 2jhb h LEU 140 Ca 0.18 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.62 2jhb h LEU 140 Cb 0.53 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.30 2jhb h LEU 140 CO 0.03 0.27 2.59 0.00 0.09 0.00 0.00 178.44 181.42 2jhb n ALA 141 N -2.33 4.35 -4.14 1.53 0.00 -0.08 -4.50 120.51 115.35 2jhb n ALA 141 Ca -0.01 -2.75 -0.41 0.00 0.00 0.00 0.00 53.44 50.27 2jhb n ALA 141 Cb 0.38 -3.32 -0.02 0.00 0.00 0.00 0.00 19.45 16.50 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 5.46 -0.44 0.00 0.00 3.00 -1.25 -5.00 117.38 119.14 2jhb n GLN 142 Ca 0.49 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 2jhb n GLN 142 Cb 0.27 -2.66 0.00 0.00 0.00 0.00 0.00 30.24 27.84 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00