#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 3.25 -0.01 1.61 0.15 -1.26 -4.90 113.70 112.54 2jhb s SER 2 Ca 0.00 -2.11 0.01 0.00 0.70 0.00 0.00 55.95 54.55 2jhb s SER 2 Cb 0.00 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.77 2jhb s SER 2 CO 0.00 -0.33 -0.02 -0.04 1.20 0.00 0.00 173.24 174.05 2jhb s MET 3 N 1.11 0.29 0.32 5.44 1.00 -1.26 -5.14 119.30 121.05 2jhb s MET 3 Ca 0.16 -0.07 -0.29 0.00 0.00 0.00 0.00 55.69 55.49 2jhb s MET 3 Cb -0.22 -0.33 -0.12 0.00 0.00 0.00 0.00 34.83 34.16 2jhb s MET 3 CO -0.06 0.02 1.44 -0.35 0.00 0.00 0.00 175.02 176.07 2jhb n PRO 4 N 3.31 2.39 0.00 2.03 -0.04 -1.26 -4.88 135.00 136.55 2jhb n PRO 4 Ca -0.17 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 2jhb n PRO 4 Cb 0.56 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 2jhb n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jhb n ARG 5 N 1.28 2.24 -3.98 0.54 3.00 -1.26 -4.99 116.66 113.49 2jhb n ARG 5 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.82 2jhb n ARG 5 Cb 0.36 -0.70 -0.11 0.00 0.00 0.00 0.00 32.46 32.01 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 -1.20 0.11 0.46 5.15 -7.23 -1.26 -4.49 120.40 111.94 2jhb s VAL 6 Ca 0.00 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2jhb s VAL 6 Cb 0.00 -0.37 0.01 0.00 0.56 0.00 0.00 36.38 36.58 2jhb s VAL 6 CO 0.00 -0.52 0.66 0.68 -0.31 0.00 0.00 175.10 175.61 2jhb s VAL 7 N -1.63 3.55 -0.03 1.32 -7.23 -0.01 -4.90 120.40 111.46 2jhb s VAL 7 Ca -0.14 -0.67 -0.06 0.00 -1.81 0.00 0.00 61.98 59.29 2jhb s VAL 7 Cb -0.08 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 2jhb s VAL 7 CO -0.01 -0.18 0.36 1.55 -0.31 0.00 0.00 175.10 176.51 2jhb h PRO 8 N 0.41 -0.21 -3.74 4.82 0.13 -2.00 -3.36 132.00 128.04 2jhb h PRO 8 Ca -0.44 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 2jhb h PRO 8 Cb 1.27 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2jhb h PRO 8 CO 0.54 -0.14 3.23 -3.47 -0.23 0.00 0.00 178.00 177.92 2jhb n ASP 9 N -3.80 5.16 -0.09 1.44 2.03 -1.26 -4.73 116.55 115.31 2jhb n ASP 9 Ca -0.03 -2.72 -0.09 0.00 0.52 0.00 0.00 54.79 52.47 2jhb n ASP 9 Cb 0.09 -1.54 -0.02 0.00 -0.72 0.00 0.00 41.12 38.92 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 5.93 0.40 -0.27 -0.67 4.20 -1.92 -0.37 115.11 122.42 2jhb h GLN 10 Ca 0.64 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 59.20 2jhb h GLN 10 Cb 0.52 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2jhb h GLN 10 CO 1.84 0.32 -0.30 -0.09 -0.67 0.00 0.00 178.83 179.94 2jhb h ARG 11 N 0.37 0.55 -0.34 1.46 9.65 -1.95 0.72 114.38 124.83 2jhb h ARG 11 Ca 0.11 -0.23 -0.13 0.00 -1.10 0.00 0.00 59.98 58.62 2jhb h ARG 11 Cb 0.02 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 2jhb h ARG 11 CO -0.02 0.79 -0.32 0.77 2.80 0.00 0.00 179.97 183.99 2jhb h SER 12 N 0.47 0.77 -0.73 -3.80 0.02 -1.89 -2.99 113.55 105.41 2jhb h SER 12 Ca 0.06 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 2jhb h SER 12 Cb 0.76 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2jhb h SER 12 CO 0.06 1.03 0.21 0.50 -1.14 0.00 0.00 176.83 177.49 2jhb h LYS 13 N 0.63 1.14 -1.02 3.45 1.63 -0.39 0.36 116.57 122.37 2jhb h LYS 13 Ca 0.07 -0.26 0.25 0.00 -0.85 0.00 0.00 60.65 59.86 2jhb h LYS 13 Cb 0.84 -0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 32.21 2jhb h LYS 13 CO 0.07 0.98 0.64 0.35 -3.45 0.00 0.00 179.45 178.05 2jhb h PHE 14 N 1.09 0.75 -0.00 1.91 3.57 -0.76 0.17 116.94 123.67 2jhb h PHE 14 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2jhb h PHE 14 Cb 0.33 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2jhb h PHE 14 CO 0.03 0.09 -0.53 0.39 -2.23 0.00 0.00 178.31 176.06 2jhb n GLU 15 N -4.67 2.07 -0.07 1.11 1.02 -0.91 -4.51 120.64 114.67 2jhb n GLU 15 Ca 0.25 -0.31 -0.07 0.00 -0.02 0.00 0.00 57.16 57.01 2jhb n GLU 15 Cb 0.81 -1.20 -0.04 0.00 -0.02 0.00 0.00 31.44 30.99 2jhb n GLU 15 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2jhb h ASN 16 N 0.68 0.00 -1.01 1.62 2.35 0.48 -3.46 115.58 116.24 2jhb h ASN 16 Ca 0.00 -0.19 -0.72 0.00 -0.55 0.00 0.00 56.30 54.84 2jhb h ASN 16 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2jhb h ASN 16 CO 0.00 0.80 1.20 -0.62 -1.65 0.00 0.00 177.43 177.17 2jhb n GLU 17 N -4.65 0.84 0.30 0.81 -0.58 -0.02 -4.82 120.64 112.52 2jhb n GLU 17 Ca -0.09 0.26 0.18 0.00 -0.42 0.00 0.00 57.16 57.10 2jhb n GLU 17 Cb 0.26 -2.11 0.97 0.00 -0.57 0.00 0.00 31.44 30.00 2jhb n GLU 17 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jhb h GLU 18 N 9.70 0.00 -0.20 3.49 5.08 -1.90 -0.79 114.58 129.96 2jhb h GLU 18 Ca -0.30 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2jhb h GLU 18 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2jhb h GLU 18 CO 1.01 0.03 0.11 0.35 -1.00 0.00 0.00 179.01 179.51 2jhb h PHE 19 N 0.00 0.21 -0.23 4.33 3.04 -1.97 -0.36 116.94 121.96 2jhb h PHE 19 Ca -0.00 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.82 2jhb h PHE 19 Cb 0.13 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 2jhb h PHE 19 CO 0.00 0.12 -0.43 0.74 -2.02 0.00 0.00 178.31 176.73 2jhb h PHE 20 N 0.23 0.67 -0.73 0.41 0.04 -1.48 -2.89 116.94 113.19 2jhb h PHE 20 Ca 0.08 -0.20 0.05 0.00 2.80 0.00 0.00 57.97 60.69 2jhb h PHE 20 Cb 0.00 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 2jhb h PHE 20 CO -0.08 0.89 0.48 0.00 -0.60 0.00 0.00 178.31 179.00 2jhb h ARG 21 N 0.46 0.82 -0.29 1.51 2.47 -0.92 0.14 114.38 118.56 2jhb h ARG 21 Ca 0.03 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2jhb h ARG 21 Cb 0.93 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.04 2jhb h ARG 21 CO 0.08 0.54 0.13 0.87 0.56 0.00 0.00 179.97 182.16 2jhb h LYS 22 N 0.84 0.28 0.00 0.04 1.57 -0.85 -2.70 116.57 115.74 2jhb h LYS 22 Ca 0.30 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 2jhb h LYS 22 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2jhb h LYS 22 CO -0.09 0.18 -0.57 -0.07 -0.57 0.00 0.00 179.45 178.33 2jhb h LEU 23 N 0.28 0.00 0.00 2.94 3.38 -1.32 -3.43 115.31 117.17 2jhb h LEU 23 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2jhb h LEU 23 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jhb h LEU 23 CO -0.10 0.57 0.00 -0.24 0.09 0.00 0.00 178.44 178.76 2jhb n SER 24 N -3.41 -2.30 -4.23 -0.43 2.88 0.40 -4.22 113.62 102.32 2jhb n SER 24 Ca 0.01 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2jhb n SER 24 Cb 0.69 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.27 2jhb n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jhb n ARG 25 N 0.00 -0.26 -1.35 -1.46 1.74 -1.26 -1.60 116.66 112.47 2jhb n ARG 25 Ca 0.00 -2.39 -0.54 0.00 -0.77 0.00 0.00 57.85 54.15 2jhb n ARG 25 Cb 0.00 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 30.61 2jhb n ARG 25 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2jhb n GLU 26 N -2.85 0.35 -4.21 5.56 0.28 -1.26 -4.69 120.64 113.82 2jhb n GLU 26 Ca 0.15 0.08 -0.20 0.00 -0.16 0.00 0.00 57.16 57.03 2jhb n GLU 26 Cb 0.54 -1.84 -0.07 0.00 1.43 0.00 0.00 31.44 31.49 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 -3.36 4.41 0.12 0.00 2.12 -1.26 -0.47 118.70 120.26 2jhb s GLU 28 Ca 0.34 1.13 -0.01 0.00 0.36 0.00 0.00 54.97 56.80 2jhb s GLU 28 Cb 0.02 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 2jhb s GLU 28 CO 0.24 0.27 0.04 0.96 -0.54 0.00 0.00 175.26 176.23 2jhb s ILE 29 N -1.67 0.19 -0.01 -3.70 -4.36 -0.11 -0.86 121.20 110.68 2jhb s ILE 29 Ca 0.50 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 2jhb s ILE 29 Cb -0.16 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.57 2jhb s ILE 29 CO 0.21 -0.54 -0.04 -0.75 0.24 0.00 0.00 174.94 174.06 2jhb s LYS 30 N -4.01 0.37 0.78 0.37 2.47 0.47 -1.56 119.74 118.63 2jhb s LYS 30 Ca 0.22 -0.13 -0.13 0.00 -1.56 0.00 0.00 55.97 54.37 2jhb s LYS 30 Cb 0.07 -0.38 0.07 0.00 -1.46 0.00 0.00 37.83 36.13 2jhb s LYS 30 CO 0.00 0.06 1.15 -0.47 0.16 0.00 0.00 175.35 176.25 2jhb s TYR 31 N 0.07 2.12 0.00 4.03 6.14 -0.07 -0.07 117.35 129.57 2jhb s TYR 31 Ca -0.00 1.64 0.09 0.00 0.64 0.00 0.00 57.07 59.44 2jhb s TYR 31 Cb -0.04 -3.30 0.15 0.00 0.42 0.00 0.00 41.96 39.19 2jhb s TYR 31 CO -0.00 -2.36 0.98 -2.37 0.64 0.00 0.00 175.55 172.43 2jhb n THR 32 N -3.28 0.00 0.00 4.34 5.66 -0.31 -4.71 114.28 115.99 2jhb n THR 32 Ca 0.12 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 2jhb n THR 32 Cb 0.52 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.89 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 0.17 0.38 0.39 1.09 0.00 -1.20 -4.86 105.19 101.16 2jhb n GLY 33 Ca -0.07 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.96 -1.67 116.94 109.77 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 0.02 2.89 -2.00 0.00 0.00 178.31 179.22 2jhb n ARG 35 N -4.30 0.00 -0.23 6.09 1.85 -1.26 -2.40 116.66 116.41 2jhb n ARG 35 Ca 0.10 0.45 0.22 0.00 -1.00 0.00 0.00 57.85 57.62 2jhb n ARG 35 Cb 0.62 -1.52 0.57 0.00 -1.05 0.00 0.00 32.46 31.08 2jhb n ARG 35 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2jhb h ASP 36 N 0.00 0.30 -2.51 2.89 3.32 -1.63 -3.37 116.42 115.42 2jhb h ASP 36 Ca 0.00 0.04 -0.55 0.00 0.02 0.00 0.00 57.03 56.54 2jhb h ASP 36 Cb 0.05 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2jhb h ASP 36 CO 0.00 0.11 1.17 -0.13 -1.72 0.00 0.00 179.24 178.67 2jhb s ARG 37 N -5.31 4.04 0.06 3.56 3.00 -1.01 -4.89 118.95 118.40 2jhb s ARG 37 Ca -0.07 2.25 -0.12 0.00 0.00 0.00 0.00 55.73 57.79 2jhb s ARG 37 Cb 0.23 -4.08 -0.03 0.00 0.00 0.00 0.00 34.95 31.07 2jhb s ARG 37 CO 0.78 -1.03 1.02 -2.30 0.00 0.00 0.00 175.30 173.77 2jhb n PRO 38 N 7.45 -0.17 0.00 3.54 -0.02 -1.26 -4.83 135.00 139.71 2jhb n PRO 38 Ca 0.19 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 2jhb n PRO 38 Cb 0.43 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2jhb n PRO 38 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2jhb n HIS 39 N -3.83 0.00 0.00 6.00 -0.00 -1.26 -5.06 115.22 111.07 2jhb n HIS 39 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2jhb n HIS 39 Cb 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 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 0.00 0.00 -2.96 1.57 2.13 -1.26 -4.69 120.64 115.43 2jhb n GLU 40 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2jhb n GLU 40 Cb 0.00 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 30.93 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 -2.00 0.81 0.00 5.31 4.07 -1.26 -4.98 120.64 122.59 2jhb n GLU 41 Ca 0.00 -2.49 0.00 0.00 -0.06 0.00 0.00 57.16 54.61 2jhb n GLU 41 Cb 0.00 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 2jhb n GLU 41 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2jhb n ARG 42 N 1.24 0.00 -0.27 5.31 3.00 -1.26 -4.86 116.66 119.82 2jhb n ARG 42 Ca 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.06 2jhb n ARG 42 Cb 0.61 -0.29 0.20 0.00 0.00 0.00 0.00 32.46 32.97 2jhb n ARG 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2jhb h GLN 43 N 0.00 0.52 0.00 -0.14 4.20 -1.93 0.12 115.11 117.88 2jhb h GLN 43 Ca 0.00 -0.03 -0.33 0.00 0.06 0.00 0.00 58.65 58.35 2jhb h GLN 43 Cb 0.00 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.60 2jhb h GLN 43 CO 0.00 0.35 -2.23 2.41 -0.67 0.00 0.00 178.83 178.69 2jhb n THR 44 N -4.93 1.23 -0.34 -0.54 -1.04 -1.26 -4.11 114.28 103.30 2jhb n THR 44 Ca 0.15 -0.64 0.21 0.00 -2.04 0.00 0.00 64.05 61.72 2jhb n THR 44 Cb 0.41 -0.83 0.43 0.00 -1.82 0.00 0.00 70.33 68.52 2jhb n THR 44 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2jhb h ARG 45 N 0.00 0.41 -0.36 -2.82 9.65 -1.87 -1.04 114.38 118.34 2jhb h ARG 45 Ca -0.48 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.45 2jhb h ARG 45 Cb 1.96 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 30.37 2jhb h ARG 45 CO -0.01 0.27 -0.21 0.35 2.80 0.00 0.00 179.97 183.17 2jhb h PHE 46 N 0.42 -0.53 -0.72 2.20 3.57 -0.90 0.23 116.94 121.20 2jhb h PHE 46 Ca 0.69 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 62.21 2jhb h PHE 46 Cb 1.46 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 2jhb h PHE 46 CO -0.02 -0.28 0.36 1.96 -2.23 0.00 0.00 178.31 178.10 2jhb h GLN 47 N -0.15 1.02 -0.20 1.11 7.50 -1.39 0.94 115.11 123.94 2jhb h GLN 47 Ca 0.18 -0.13 -0.11 0.00 0.50 0.00 0.00 58.65 59.09 2jhb h GLN 47 Cb 0.43 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 2jhb h GLN 47 CO -0.45 0.78 -0.36 -0.91 -1.50 0.00 0.00 178.83 176.38 2jhb h ASN 48 N 1.02 0.44 1.34 1.46 2.35 -0.21 0.11 115.58 122.10 2jhb h ASN 48 Ca 0.25 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.71 2jhb h ASN 48 Cb 0.08 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2jhb h ASN 48 CO -0.04 0.77 -0.55 0.00 -1.65 0.00 0.00 177.43 175.97 2jhb h ALA 49 N 1.25 0.67 0.00 -0.83 0.00 -0.44 -0.45 119.26 119.46 2jhb h ALA 49 Ca 0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2jhb h ALA 49 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jhb h ALA 49 CO 0.07 0.69 -0.23 0.00 0.00 0.00 0.00 179.25 179.77 2jhb n ARG 51 N -3.93 1.36 -0.21 0.00 0.63 0.35 -3.22 116.66 111.65 2jhb n ARG 51 Ca -0.02 -1.02 0.01 0.00 -0.92 0.00 0.00 57.85 55.90 2jhb n ARG 51 Cb 0.32 -1.44 0.12 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 2.45 0.20 0.00 6.15 1.82 -1.16 0.27 116.42 126.15 2jhb h ASP 52 Ca 0.00 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2jhb h ASP 52 Cb 0.73 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.82 2jhb h ASP 52 CO 0.00 0.11 0.00 0.61 -1.61 0.00 0.00 179.24 178.35 2jhb n GLY 53 N -1.30 0.20 3.46 -0.78 0.00 -1.20 -3.57 105.19 102.00 2jhb n GLY 53 Ca 0.09 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.29 -0.00 1.61 -4.01 -1.26 -4.66 116.66 108.04 2jhb n ARG 54 Ca 0.00 -0.04 0.00 0.00 -1.04 0.00 0.00 57.85 56.77 2jhb n ARG 54 Cb 0.00 -1.94 0.00 0.00 -3.04 0.00 0.00 32.46 27.48 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 -1.76 0.00 -3.65 2.89 2.88 0.11 -4.88 113.62 109.21 2jhb n SER 55 Ca 0.08 -0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 2jhb n SER 55 Cb 0.53 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.99 0.20 0.08 -1.46 2.12 -1.26 -1.35 118.70 118.01 2jhb s GLU 56 Ca 0.00 0.81 0.07 0.00 0.36 0.00 0.00 54.97 56.21 2jhb s GLU 56 Cb 0.00 0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 2jhb s GLU 56 CO 0.00 -0.29 -0.19 0.42 -0.54 0.00 0.00 175.26 174.66 2jhb s ILE 57 N 2.47 1.55 0.23 -3.70 1.01 -0.75 -1.16 121.20 120.85 2jhb s ILE 57 Ca 0.01 -1.37 0.06 0.00 0.00 0.00 0.00 60.65 59.35 2jhb s ILE 57 Cb -0.12 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2jhb s ILE 57 CO -0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 174.94 174.76 2jhb s ALA 58 N -1.05 1.98 0.16 9.38 0.00 0.90 -0.98 121.76 132.15 2jhb s ALA 58 Ca 0.05 -1.74 -0.07 0.00 0.00 0.00 0.00 51.96 50.21 2jhb s ALA 58 Cb -0.09 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 2jhb s ALA 58 CO 0.03 -0.08 0.42 -0.06 0.00 0.00 0.00 175.76 176.07 2jhb s PHE 59 N -3.15 3.47 -0.19 0.00 0.40 -0.87 -0.39 117.98 117.25 2jhb s PHE 59 Ca 0.25 0.67 -0.17 0.00 -0.60 0.00 0.00 56.93 57.08 2jhb s PHE 59 Cb 0.03 -2.09 -0.21 0.00 0.51 0.00 0.00 43.02 41.26 2jhb s PHE 59 CO 0.08 0.40 0.22 0.28 0.70 0.00 0.00 175.22 176.90 2jhb n VAL 60 N 0.13 1.60 0.14 -0.44 0.31 -0.04 -1.33 118.33 118.70 2jhb n VAL 60 Ca -0.02 -0.22 0.19 0.00 -0.01 0.00 0.00 64.34 64.28 2jhb n VAL 60 Cb 0.52 -1.95 0.78 0.00 -0.91 0.00 0.00 33.84 32.28 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 -0.36 1.96 0.00 3.52 0.00 -1.93 -3.10 119.26 119.34 2jhb h ALA 61 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jhb h ALA 61 Cb 1.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2jhb h ALA 61 CO -0.14 -0.52 0.00 2.41 0.00 0.00 0.00 179.25 181.00 2jhb n THR 62 N -3.67 0.00 -1.11 0.00 -1.04 -1.26 -5.06 114.28 102.14 2jhb n THR 62 Ca 0.05 -0.02 -0.04 0.00 -2.04 0.00 0.00 64.05 62.00 2jhb n THR 62 Cb 0.51 1.05 -0.02 0.00 -1.82 0.00 0.00 70.33 70.06 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 0.05 0.66 3.28 3.41 0.00 -0.45 -4.96 105.19 107.18 2jhb n GLY 63 Ca 0.00 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.13 4.96 0.03 2.61 2.01 -1.19 -4.69 115.64 117.24 2jhb s THR 64 Ca 0.00 -1.92 -0.30 0.00 0.31 0.00 0.00 61.69 59.77 2jhb s THR 64 Cb 0.00 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2jhb s THR 64 CO 0.00 -0.89 1.20 0.20 -0.69 0.00 0.00 174.62 174.44 2jhb s ASN 65 N 2.80 7.08 -0.17 3.53 -0.87 -1.26 -2.06 114.94 123.99 2jhb s ASN 65 Ca 0.08 1.95 -0.04 0.00 -1.57 0.00 0.00 52.86 53.29 2jhb s ASN 65 Cb -0.23 -2.57 0.08 0.00 -0.02 0.00 0.00 41.25 38.51 2jhb s ASN 65 CO -0.01 -0.50 0.24 -0.22 -2.57 0.00 0.00 177.10 174.04 2jhb s LEU 66 N 1.39 -0.20 -0.27 0.60 1.98 -0.15 -4.95 118.68 117.08 2jhb s LEU 66 Ca 0.58 0.13 -0.29 0.00 -2.89 0.00 0.00 54.13 51.66 2jhb s LEU 66 Cb -0.28 0.52 -0.03 0.00 0.66 0.00 0.00 46.19 47.06 2jhb s LEU 66 CO 0.27 -0.29 1.82 -0.44 -1.89 0.00 0.00 176.35 175.83 2jhb s SER 67 N 2.37 5.97 -0.05 3.68 0.01 -1.26 -1.81 113.70 122.60 2jhb s SER 67 Ca 0.05 1.52 -0.29 0.00 1.31 0.00 0.00 55.95 58.54 2jhb s SER 67 Cb -0.14 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 2jhb s SER 67 CO -0.10 -1.61 0.96 -0.22 0.41 0.00 0.00 173.24 172.68 2jhb s LEU 68 N 6.59 4.31 -0.19 2.44 0.20 -0.45 -4.94 118.68 126.64 2jhb s LEU 68 Ca 0.81 1.55 -0.00 0.00 0.69 0.00 0.00 54.13 57.18 2jhb s LEU 68 Cb -0.25 -3.51 0.05 0.00 -0.43 0.00 0.00 46.19 42.04 2jhb s LEU 68 CO 0.33 -0.33 -0.05 -1.10 -0.29 0.00 0.00 176.35 174.91 2jhb s GLN 69 N 1.45 1.47 -1.33 1.98 -0.21 -1.26 0.07 119.66 121.82 2jhb s GLN 69 Ca 0.49 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 55.06 2jhb s GLN 69 Cb -0.19 -2.18 0.07 0.00 1.00 0.00 0.00 33.01 31.71 2jhb s GLN 69 CO 0.23 -0.48 1.82 1.19 -2.12 0.00 0.00 175.29 175.92 2jhb n PHE 70 N 4.83 4.44 -3.37 0.91 3.01 -1.26 -4.35 117.46 121.66 2jhb n PHE 70 Ca -0.12 -2.89 -0.27 0.00 1.01 0.00 0.00 57.45 55.18 2jhb n PHE 70 Cb 0.47 -2.59 -0.08 0.00 -0.01 0.00 0.00 39.48 37.27 2jhb n PHE 70 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 2jhb n PHE 71 N 7.74 3.65 0.00 1.38 -1.74 -0.90 -4.65 117.46 122.94 2jhb n PHE 71 Ca 0.49 -4.14 0.00 0.00 -0.56 0.00 0.00 57.45 53.24 2jhb n PHE 71 Cb 0.44 -0.55 0.00 0.00 1.52 0.00 0.00 39.48 40.89 2jhb n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 2jhb n PRO 72 N 0.74 0.00 0.00 3.97 -0.05 -1.24 -4.37 135.00 134.05 2jhb n PRO 72 Ca 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.75 2jhb n PRO 72 Cb 0.41 -0.27 0.00 0.00 -0.05 0.00 0.00 33.50 33.59 2jhb n PRO 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2jhb n ALA 73 N -3.00 1.19 -3.88 0.55 0.00 -1.26 -4.94 120.51 109.17 2jhb n ALA 73 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2jhb n ALA 73 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2jhb n ALA 73 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jhb s SER 74 N -0.66 4.66 0.41 0.00 0.01 -1.26 -5.10 113.70 111.77 2jhb s SER 74 Ca 0.00 -2.87 -0.11 0.00 1.31 0.00 0.00 55.95 54.28 2jhb s SER 74 Cb 0.00 -1.71 -0.07 0.00 0.21 0.00 0.00 66.02 64.45 2jhb s SER 74 CO 0.00 -0.29 0.79 0.26 0.41 0.00 0.00 173.24 174.41 2jhb s TRP 75 N -0.09 3.47 -0.29 2.43 0.52 -1.26 -4.76 118.94 118.95 2jhb s TRP 75 Ca 0.16 1.09 -0.22 0.00 0.02 0.00 0.00 56.10 57.16 2jhb s TRP 75 Cb -0.24 -2.48 0.03 0.00 -1.15 0.00 0.00 33.47 29.64 2jhb s TRP 75 CO -0.02 -0.13 0.40 1.04 0.02 0.00 0.00 176.95 178.26 2jhb n GLN 76 N -1.31 -1.55 0.00 4.98 1.13 -1.26 -5.01 117.38 114.36 2jhb n GLN 76 Ca 0.03 1.38 0.00 0.00 -1.94 0.00 0.00 57.00 56.47 2jhb n GLN 76 Cb 0.54 -2.30 0.00 0.00 0.11 0.00 0.00 30.24 28.59 2jhb n GLN 76 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jhb n GLY 77 N 0.34 0.84 2.08 1.08 0.00 -1.26 -5.04 105.19 103.23 2jhb n GLY 77 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 0.72 -2.41 1.61 4.07 -1.26 -4.97 120.64 118.39 2jhb n GLU 78 Ca 0.00 -0.66 -0.01 0.00 -0.06 0.00 0.00 57.16 56.42 2jhb n GLU 78 Cb 0.00 0.25 -0.01 0.00 -0.06 0.00 0.00 31.44 31.62 2jhb n GLU 78 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2jhb n GLN 79 N -0.82 -2.97 -1.79 5.31 6.02 -1.23 -4.94 117.38 116.95 2jhb n GLN 79 Ca -0.10 2.44 0.00 0.00 -0.01 0.00 0.00 57.00 59.33 2jhb n GLN 79 Cb 0.70 -4.34 0.00 0.00 1.02 0.00 0.00 30.24 27.62 2jhb n GLN 79 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2jhb n ARG 80 N 0.77 -4.46 0.00 -1.09 0.63 0.96 -4.88 116.66 108.59 2jhb n ARG 80 Ca -0.09 3.25 0.00 0.00 -0.92 0.00 0.00 57.85 60.09 2jhb n ARG 80 Cb 0.15 -3.69 0.00 0.00 0.45 0.00 0.00 32.46 29.37 2jhb n ARG 80 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2jhb n GLN 81 N 0.04 0.00 -2.80 -0.14 7.27 -1.26 -4.86 117.38 115.63 2jhb n GLN 81 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.89 2jhb n GLN 81 Cb 0.00 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 2jhb n GLN 81 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2jhb n THR 82 N 0.00 1.26 -1.12 1.69 -1.04 -1.26 -5.04 114.28 108.77 2jhb n THR 82 Ca 0.00 -4.20 -0.29 0.00 -2.04 0.00 0.00 64.05 57.53 2jhb n THR 82 Cb 0.00 -0.26 0.19 0.00 -1.82 0.00 0.00 70.33 68.44 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 -3.07 0.24 0.82 -2.82 0.04 -1.26 -5.03 135.00 123.91 2jhb s PRO 83 Ca 0.38 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 2jhb s PRO 83 Cb 0.39 -1.72 0.09 0.00 0.04 0.00 0.00 34.50 33.30 2jhb s PRO 83 CO -0.06 -2.86 1.17 -1.12 0.04 0.00 0.00 177.00 174.17 2jhb s SER 84 N -3.39 4.39 0.09 6.66 0.01 -1.26 -4.72 113.70 115.48 2jhb s SER 84 Ca 0.66 0.81 -0.25 0.00 1.31 0.00 0.00 55.95 58.48 2jhb s SER 84 Cb -0.19 -1.32 -0.15 0.00 0.21 0.00 0.00 66.02 64.56 2jhb s SER 84 CO 0.58 -1.98 1.72 -0.09 0.41 0.00 0.00 173.24 173.87 2jhb h ARG 85 N -1.11 -0.18 0.00 12.44 2.43 -1.79 0.20 114.38 126.36 2jhb h ARG 85 Ca -0.47 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2jhb h ARG 85 Cb 1.33 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2jhb h ARG 85 CO 0.65 -0.12 -0.01 1.49 -1.51 0.00 0.00 179.97 180.47 2jhb h GLU 86 N -0.19 0.00 0.03 0.20 4.81 -1.91 -3.29 114.58 114.24 2jhb h GLU 86 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jhb h GLU 86 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jhb h GLU 86 CO 0.03 0.01 -0.02 1.88 -0.73 0.00 0.00 179.01 180.18 2jhb h TYR 87 N 0.00 -0.04 -3.56 0.92 -1.99 -1.54 -2.49 116.97 108.27 2jhb h TYR 87 Ca -0.00 -0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.49 2jhb h TYR 87 Cb 0.59 0.01 -0.30 0.00 2.00 0.00 0.00 36.73 39.04 2jhb h TYR 87 CO 0.00 -0.03 -0.67 0.08 -0.00 0.00 0.00 178.16 177.54 2jhb s VAL 88 N -1.77 -0.02 -0.04 -2.88 1.01 -0.02 -2.31 120.40 114.37 2jhb s VAL 88 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 2jhb s VAL 88 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.29 2jhb s VAL 88 CO 0.02 0.03 0.04 -0.67 0.00 0.00 0.00 175.10 174.51 2jhb n ASP 89 N 3.45 -2.11 -0.51 3.32 -0.08 -1.25 -4.33 116.55 115.03 2jhb n ASP 89 Ca -0.17 0.27 0.05 0.00 -1.51 0.00 0.00 54.79 53.43 2jhb n ASP 89 Cb 0.57 -1.84 0.09 0.00 2.34 0.00 0.00 41.12 42.27 2jhb n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jhb n LEU 90 N 0.28 1.43 0.00 -2.67 -0.00 -1.26 -4.50 117.00 110.28 2jhb n LEU 90 Ca -0.06 -2.37 0.00 0.00 -0.00 0.00 0.00 56.01 53.58 2jhb n LEU 90 Cb 0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2jhb n LEU 90 CO 0.08 0.64 0.00 1.21 -0.00 0.00 0.00 177.39 179.32 2jhb n GLU 91 N -0.62 0.00 0.00 1.47 2.13 -1.26 -4.34 120.64 118.02 2jhb n GLU 91 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2jhb n GLU 91 Cb 0.75 -3.39 0.00 0.00 0.27 0.00 0.00 31.44 29.06 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 -2.00 0.00 0.00 5.31 3.00 -1.26 -5.17 116.66 116.54 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 0.39 0.00 0.00 0.00 177.63 178.02 2jhb n GLU 93 N 2.25 3.30 -0.03 -0.14 -0.58 -0.74 -4.94 120.64 119.76 2jhb n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jhb n GLU 93 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jhb n ALA 94 N -3.00 0.93 -0.96 0.62 0.00 -1.26 -3.91 120.51 112.93 2jhb n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jhb n ALA 94 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 3.59 0.10 3.49 0.00 0.00 -1.26 -4.96 105.19 106.16 2jhb n GLY 95 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.54 1.82 0.06 1.61 0.00 -1.25 -2.44 119.74 118.00 2jhb s LYS 96 Ca 0.00 -2.08 0.08 0.00 0.00 0.00 0.00 55.97 53.97 2jhb s LYS 96 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 37.83 37.10 2jhb s LYS 96 CO 0.00 -0.37 -0.22 0.54 0.00 0.00 0.00 175.35 175.30 2jhb s VAL 97 N -3.26 1.75 0.15 1.79 0.11 -0.12 -1.79 120.40 119.03 2jhb s VAL 97 Ca 0.28 -1.33 -0.03 0.00 -2.93 0.00 0.00 61.98 57.97 2jhb s VAL 97 Cb 0.05 -1.54 -0.05 0.00 -1.53 0.00 0.00 36.38 33.31 2jhb s VAL 97 CO 0.14 0.15 0.36 -0.31 -3.33 0.00 0.00 175.10 172.11 2jhb s TYR 98 N -0.90 3.48 -0.18 1.54 1.51 -1.26 -0.96 117.35 120.58 2jhb s TYR 98 Ca 0.08 0.46 -0.07 0.00 -1.01 0.00 0.00 57.07 56.53 2jhb s TYR 98 Cb -0.09 -1.93 0.08 0.00 -0.11 0.00 0.00 41.96 39.90 2jhb s TYR 98 CO 0.03 0.44 0.39 -1.17 -1.11 0.00 0.00 175.55 174.12 2jhb s LEU 99 N -2.82 -0.47 -0.14 -1.29 1.98 -0.71 -4.68 118.68 110.54 2jhb s LEU 99 Ca 0.40 0.89 -0.09 0.00 -2.89 0.00 0.00 54.13 52.44 2jhb s LEU 99 Cb -0.12 1.22 0.05 0.00 0.66 0.00 0.00 46.19 48.00 2jhb s LEU 99 CO 0.26 -0.23 0.34 -0.75 -1.89 0.00 0.00 176.35 174.09 2jhb s LYS 100 N 2.35 0.34 -0.27 1.98 2.20 -0.98 -0.54 119.74 124.83 2jhb s LYS 100 Ca -0.03 0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 56.21 2jhb s LYS 100 Cb -0.11 0.00 0.13 0.00 -1.51 0.00 0.00 37.83 36.34 2jhb s LYS 100 CO -0.12 -0.13 0.29 0.00 -0.36 0.00 0.00 175.35 175.03 2jhb s ALA 101 N 1.05 -0.47 0.23 3.13 0.00 0.32 -4.36 121.76 121.65 2jhb s ALA 101 Ca -0.07 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 2jhb s ALA 101 Cb -0.07 -1.71 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 2jhb s ALA 101 CO -0.08 -1.60 1.48 -1.25 0.00 0.00 0.00 175.76 174.31 2jhb s PRO 102 N 2.37 4.25 0.17 0.00 0.04 -1.26 -1.63 135.00 138.93 2jhb s PRO 102 Ca 0.09 2.33 0.01 0.00 0.04 0.00 0.00 61.00 63.47 2jhb s PRO 102 Cb -0.14 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2jhb s PRO 102 CO -0.28 -0.48 0.02 0.00 0.04 0.00 0.00 177.00 176.30 2jhb s MET 103 N 0.00 1.08 -0.54 4.56 0.23 -0.20 -2.11 119.30 122.32 2jhb s MET 103 Ca 0.62 -1.52 0.06 0.00 -1.03 0.00 0.00 55.69 53.81 2jhb s MET 103 Cb -0.43 -0.16 0.21 0.00 -1.53 0.00 0.00 34.83 32.92 2jhb s MET 103 CO 0.40 -0.16 0.53 -0.89 -2.03 0.00 0.00 175.02 172.87 2jhb n ILE 104 N -0.22 0.58 -2.88 3.16 5.41 -1.26 -1.18 119.36 122.97 2jhb n ILE 104 Ca -0.06 -4.41 -0.39 0.00 1.00 0.00 0.00 62.75 58.90 2jhb n ILE 104 Cb 0.63 -1.98 -0.06 0.00 -0.71 0.00 0.00 39.64 37.52 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 -1.30 4.53 0.00 1.39 2.01 -1.09 -4.26 118.68 119.95 2jhb s LEU 105 Ca 0.33 1.76 0.00 0.00 0.01 0.00 0.00 54.13 56.23 2jhb s LEU 105 Cb 0.08 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.69 2jhb s LEU 105 CO -0.12 0.11 0.00 -3.20 1.01 0.00 0.00 176.35 174.15 2jhb n ASN 106 N 1.24 0.00 0.00 2.29 2.85 -1.26 -0.43 115.26 119.95 2jhb n ASN 106 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2jhb n ASN 106 Cb 0.49 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.80 2jhb n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jhb n GLY 107 N -1.81 1.76 2.86 8.20 0.00 -1.26 -4.65 105.19 110.30 2jhb n GLY 107 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.98 -0.77 1.61 1.01 0.42 -0.83 120.40 120.82 2jhb s VAL 108 Ca 0.00 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 2jhb s VAL 108 Cb 0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 2jhb s VAL 108 CO 0.00 0.10 1.65 0.00 0.00 0.00 0.00 175.10 176.86 2jhb s VAL 110 N 7.72 5.24 -0.38 0.00 -7.23 -0.33 -0.85 120.40 124.57 2jhb s VAL 110 Ca 0.56 -0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 60.00 2jhb s VAL 110 Cb -0.08 -3.78 0.03 0.00 0.56 0.00 0.00 36.38 33.11 2jhb s VAL 110 CO 0.10 -0.24 0.21 -0.63 -0.31 0.00 0.00 175.10 174.22 2jhb s ILE 111 N -1.92 4.51 0.06 -0.62 1.01 0.30 -1.03 121.20 123.50 2jhb s ILE 111 Ca 0.36 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.78 2jhb s ILE 111 Cb -0.10 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 2jhb s ILE 111 CO 0.30 -0.26 1.26 0.86 0.00 0.00 0.00 174.94 177.10 2jhb s TRP 112 N 1.53 3.32 0.08 3.97 -0.00 -0.65 -0.22 118.94 126.98 2jhb s TRP 112 Ca 0.02 1.16 0.02 0.00 -0.00 0.00 0.00 56.10 57.30 2jhb s TRP 112 Cb -0.20 -3.51 -0.04 0.00 -0.00 0.00 0.00 33.47 29.73 2jhb s TRP 112 CO 0.06 -1.66 -0.07 -1.59 -0.00 0.00 0.00 176.95 173.70 2jhb s LYS 113 N 1.27 0.76 0.00 5.86 -2.85 -0.16 -0.52 119.74 124.09 2jhb s LYS 113 Ca 0.60 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 2jhb s LYS 113 Cb -0.31 -0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.27 2jhb s LYS 113 CO 0.29 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 176.14 2jhb n GLY 114 N 0.26 -1.24 3.12 0.59 0.00 0.30 -0.82 105.19 107.40 2jhb n GLY 114 Ca -0.14 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 2jhb n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jhb s TRP 115 N -3.00 0.88 -0.15 1.61 -2.14 0.58 -1.74 118.94 114.98 2jhb s TRP 115 Ca 0.00 -0.57 0.02 0.00 2.66 0.00 0.00 56.10 58.21 2jhb s TRP 115 Cb 0.00 -0.50 0.01 0.00 -3.10 0.00 0.00 33.47 29.88 2jhb s TRP 115 CO 0.00 -0.05 -0.20 0.42 -2.66 0.00 0.00 176.95 174.46 2jhb s ILE 116 N -1.81 1.95 0.25 0.66 -1.09 -0.13 -1.46 121.20 119.57 2jhb s ILE 116 Ca -0.03 -0.90 -0.26 0.00 -2.23 0.00 0.00 60.65 57.23 2jhb s ILE 116 Cb -0.07 -1.75 -0.09 0.00 -1.58 0.00 0.00 42.46 38.97 2jhb s ILE 116 CO 0.00 0.53 0.87 -0.62 -1.23 0.00 0.00 174.94 174.49 2jhb s ASP 117 N 0.99 7.36 0.00 3.58 -1.08 0.99 -0.94 116.67 127.57 2jhb s ASP 117 Ca -0.04 1.74 0.21 0.00 -0.52 0.00 0.00 52.55 53.95 2jhb s ASP 117 Cb -0.15 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.72 2jhb s ASP 117 CO -0.05 0.06 1.67 0.18 0.52 0.00 0.00 175.17 177.55 2jhb n LEU 118 N 1.00 0.00 -0.06 -1.34 4.77 -1.02 -1.85 117.00 118.49 2jhb n LEU 118 Ca -0.01 0.43 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 2jhb n LEU 118 Cb 0.49 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2jhb n LEU 118 CO 0.46 -0.12 0.83 1.12 -1.33 0.00 0.00 177.39 178.34 2jhb h HIS 119 N 0.00 0.30 0.00 -1.77 2.07 -1.90 -3.40 115.15 110.45 2jhb h HIS 119 Ca 0.00 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 2jhb h HIS 119 Cb 0.31 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.20 2jhb h HIS 119 CO 0.00 0.39 0.00 0.54 -3.07 0.00 0.00 177.93 175.79 2jhb n ARG 120 N -4.81 0.00 -2.85 5.12 5.12 -1.24 -5.01 116.66 113.00 2jhb n ARG 120 Ca -0.04 -0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.70 2jhb n ARG 120 Cb 0.15 -0.36 0.03 0.00 -1.16 0.00 0.00 32.46 31.12 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 0.00 -2.43 -4.99 0.55 4.32 -0.77 -4.91 117.00 108.77 2jhb n LEU 121 Ca 0.00 -0.22 -0.21 0.00 -0.02 0.00 0.00 56.01 55.56 2jhb n LEU 121 Cb 0.26 -2.25 0.04 0.00 -1.62 0.00 0.00 43.42 39.85 2jhb n LEU 121 CO 0.00 0.20 0.24 -0.62 -1.22 0.00 0.00 177.39 175.99 2jhb s ASP 122 N -2.85 5.05 0.00 -1.43 -1.08 -1.25 -0.89 116.67 114.22 2jhb s ASP 122 Ca 0.24 -0.88 0.00 0.00 -0.52 0.00 0.00 52.55 51.38 2jhb s ASP 122 Cb -0.10 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 2jhb s ASP 122 CO 0.29 -1.19 0.00 0.61 0.52 0.00 0.00 175.17 175.40 2jhb n GLY 123 N -2.06 -0.50 3.15 2.66 0.00 -0.60 -0.01 105.19 107.84 2jhb n GLY 123 Ca 0.10 -0.60 -0.21 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 -1.97 1.01 0.11 1.61 -1.94 -0.54 -0.94 119.30 116.64 2jhb s MET 124 Ca 0.00 -0.74 -0.14 0.00 -1.71 0.00 0.00 55.69 53.10 2jhb s MET 124 Cb 0.00 -1.02 0.05 0.00 2.01 0.00 0.00 34.83 35.87 2jhb s MET 124 CO 0.00 0.26 0.68 0.41 -0.01 0.00 0.00 175.02 176.36 2jhb n GLY 125 N 2.01 0.82 0.62 -0.03 0.00 0.38 -0.31 105.19 108.68 2jhb n GLY 125 Ca -0.17 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 44.79 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 3.55 0.29 0.00 1.43 -0.63 -0.99 118.68 122.33 2jhb s LEU 127 Ca 0.05 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2jhb s LEU 127 Cb -0.00 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 2jhb s LEU 127 CO -0.00 -0.54 0.36 -0.70 0.23 0.00 0.00 176.35 175.70 2jhb s GLU 128 N -4.11 1.66 0.35 1.70 2.56 0.69 -4.59 118.70 116.95 2jhb s GLU 128 Ca 0.46 -1.69 -0.11 0.00 0.00 0.00 0.00 54.97 53.64 2jhb s GLU 128 Cb -0.06 0.39 -0.07 0.00 2.00 0.00 0.00 34.13 36.39 2jhb s GLU 128 CO 0.28 -0.65 0.71 0.12 -0.56 0.00 0.00 175.26 175.16 2jhb s PHE 129 N -3.54 3.44 -0.76 5.30 5.36 -1.26 -0.54 117.98 125.98 2jhb s PHE 129 Ca 0.33 1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 57.31 2jhb s PHE 129 Cb 0.02 -2.40 0.19 0.00 -0.34 0.00 0.00 43.02 40.48 2jhb s PHE 129 CO 0.18 0.02 0.60 0.34 -1.46 0.00 0.00 175.22 174.90 2jhb s ASP 130 N -2.83 5.51 0.45 6.13 -1.08 -0.03 -4.43 116.67 120.38 2jhb s ASP 130 Ca 0.51 -3.39 0.22 0.00 -0.52 0.00 0.00 52.55 49.36 2jhb s ASP 130 Cb -0.10 -1.85 1.04 0.00 -1.46 0.00 0.00 42.92 40.55 2jhb s ASP 130 CO 0.26 -0.24 1.91 1.05 0.52 0.00 0.00 175.17 178.67 2jhb h GLU 131 N 6.33 0.00 0.03 4.34 9.09 -1.97 -0.28 114.58 132.12 2jhb h GLU 131 Ca 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.49 2jhb h GLU 131 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 2jhb h GLU 131 CO 0.78 0.24 -0.02 1.49 0.05 0.00 0.00 179.01 181.55 2jhb h GLU 132 N 0.00 -0.04 -0.55 1.06 4.81 -1.96 -2.96 114.58 114.94 2jhb h GLU 132 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2jhb h GLU 132 Cb 0.59 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2jhb h GLU 132 CO 0.03 0.61 0.29 -0.09 -0.73 0.00 0.00 179.01 179.12 2jhb h ARG 133 N -0.78 0.77 -0.55 1.92 9.65 -1.91 -1.43 114.38 122.05 2jhb h ARG 133 Ca -0.00 -0.10 0.06 0.00 -1.10 0.00 0.00 59.98 58.84 2jhb h ARG 133 Cb 0.68 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 2jhb h ARG 133 CO 0.01 0.60 0.37 0.00 2.80 0.00 0.00 179.97 183.75 2jhb h ALA 134 N 1.13 1.86 -0.00 2.80 0.00 -1.16 0.39 119.26 124.27 2jhb h ALA 134 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jhb h ALA 134 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jhb h ALA 134 CO -0.03 0.05 -0.04 1.04 0.00 0.00 0.00 179.25 180.27 2jhb n GLN 135 N -4.47 0.44 -0.03 0.00 6.02 -0.65 -0.34 117.38 118.35 2jhb n GLN 135 Ca 0.07 -0.05 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 2jhb n GLN 135 Cb 0.24 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.86 2jhb n GLN 135 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2jhb n GLN 136 N -1.24 0.64 0.01 -1.09 -0.06 0.39 -4.39 117.38 111.64 2jhb n GLN 136 Ca 0.13 0.27 -0.08 0.00 -2.00 0.00 0.00 57.00 55.33 2jhb n GLN 136 Cb 0.26 -1.77 -0.13 0.00 -4.06 0.00 0.00 30.24 24.54 2jhb n GLN 136 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2jhb h GLU 137 N 0.00 0.00 -1.01 3.69 4.39 -0.01 0.11 114.58 121.75 2jhb h GLU 137 Ca -0.31 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.51 2jhb h GLU 137 Cb 2.04 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.60 2jhb h GLU 137 CO 0.07 0.63 0.63 -0.44 -1.16 0.00 0.00 179.01 178.75 2jhb h ASP 138 N 0.00 0.93 0.00 1.42 5.19 -0.91 0.16 116.42 123.22 2jhb h ASP 138 Ca -0.20 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.20 2jhb h ASP 138 Cb 1.92 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 41.29 2jhb h ASP 138 CO 0.09 0.49 -0.23 0.00 -3.12 0.00 0.00 179.24 176.48 2jhb h ALA 139 N 1.54 0.02 0.00 3.45 0.00 -1.68 -3.34 119.26 119.25 2jhb h ALA 139 Ca 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jhb h ALA 139 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jhb h ALA 139 CO -0.27 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.33 2jhb n LEU 140 N -4.52 0.44 -0.04 0.00 4.77 0.34 -0.81 117.00 117.18 2jhb n LEU 140 Ca -0.10 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2jhb n LEU 140 Cb 0.50 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2jhb n LEU 140 CO 0.39 -0.60 0.05 0.00 -1.33 0.00 0.00 177.39 175.89 2jhb n ALA 141 N -1.69 1.56 -2.90 -1.18 0.00 0.54 -4.80 120.51 112.03 2jhb n ALA 141 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2jhb n ALA 141 Cb 0.14 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.63 2jhb n ALA 141 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jhb n GLN 142 N -0.42 -1.60 0.00 0.00 7.27 -0.00 -4.95 117.38 117.67 2jhb n GLN 142 Ca 0.00 0.94 0.00 0.00 0.07 0.00 0.00 57.00 58.01 2jhb n GLN 142 Cb 0.00 -5.09 0.00 0.00 2.41 0.00 0.00 30.24 27.56 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07