#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhb s SER 2 N 0.00 -0.30 -0.39 1.61 1.04 -1.26 -5.14 113.70 109.27 2jhb s SER 2 Ca 0.00 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.96 2jhb s SER 2 Cb 0.00 0.63 0.14 0.00 0.10 0.00 0.00 66.02 66.89 2jhb s SER 2 CO 0.00 -1.15 0.22 0.00 0.98 0.00 0.00 173.24 173.29 2jhb s MET 3 N -3.88 0.86 0.12 4.02 0.00 -1.26 -5.09 119.30 114.07 2jhb s MET 3 Ca 0.10 -1.60 -0.02 0.00 0.00 0.00 0.00 55.69 54.17 2jhb s MET 3 Cb -0.03 -1.75 0.03 0.00 0.00 0.00 0.00 34.83 33.08 2jhb s MET 3 CO -0.00 -1.18 0.10 -0.35 0.00 0.00 0.00 175.02 173.59 2jhb n PRO 4 N 3.87 -1.47 0.00 3.16 -0.04 -1.26 -4.15 135.00 135.11 2jhb n PRO 4 Ca 0.10 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2jhb n PRO 4 Cb 0.36 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 2jhb n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jhb n ARG 5 N -1.96 0.00 -4.04 0.54 5.12 -1.26 -4.85 116.66 110.21 2jhb n ARG 5 Ca 0.01 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.84 2jhb n ARG 5 Cb 0.06 -2.08 -0.08 0.00 -1.16 0.00 0.00 32.46 29.20 2jhb n ARG 5 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jhb s VAL 6 N -0.54 0.09 0.42 1.55 -7.23 -1.26 -4.27 120.40 109.16 2jhb s VAL 6 Ca 0.00 -1.62 0.07 0.00 -1.81 0.00 0.00 61.98 58.62 2jhb s VAL 6 Cb 0.00 -1.88 -0.07 0.00 0.56 0.00 0.00 36.38 34.99 2jhb s VAL 6 CO 0.00 -0.42 0.05 0.68 -0.31 0.00 0.00 175.10 175.09 2jhb s VAL 7 N -3.99 2.01 -0.03 1.32 -7.23 0.30 -4.69 120.40 108.09 2jhb s VAL 7 Ca 0.19 -1.94 -0.16 0.00 -1.81 0.00 0.00 61.98 58.26 2jhb s VAL 7 Cb 0.05 -2.95 -0.09 0.00 0.56 0.00 0.00 36.38 33.95 2jhb s VAL 7 CO -0.00 0.00 0.67 1.55 -0.31 0.00 0.00 175.10 177.01 2jhb h PRO 8 N 1.67 -0.56 -1.78 4.82 0.13 -1.93 -3.35 132.00 131.00 2jhb h PRO 8 Ca -0.44 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2jhb h PRO 8 Cb 1.25 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2jhb h PRO 8 CO 0.78 -0.37 0.00 -0.25 -0.23 0.00 0.00 178.00 177.94 2jhb n ASP 9 N -5.16 3.06 -0.18 1.44 8.00 -1.26 -4.73 116.55 117.72 2jhb n ASP 9 Ca -0.07 -1.74 -0.06 0.00 0.71 0.00 0.00 54.79 53.62 2jhb n ASP 9 Cb 0.23 -0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 40.71 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2jhb h GLN 10 N 1.55 -0.18 0.00 -1.24 4.20 -1.88 0.18 115.11 117.74 2jhb h GLN 10 Ca 0.00 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 2jhb h GLN 10 Cb 0.67 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2jhb h GLN 10 CO 0.00 -0.12 -0.23 -0.09 -0.67 0.00 0.00 178.83 177.72 2jhb h ARG 11 N -0.19 0.00 0.09 1.46 9.65 -1.95 -0.83 114.38 122.60 2jhb h ARG 11 Ca 0.21 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.89 2jhb h ARG 11 Cb 0.55 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.15 2jhb h ARG 11 CO -0.64 0.23 -0.84 0.77 2.80 0.00 0.00 179.97 182.29 2jhb h SER 12 N 0.00 0.59 0.13 -3.80 0.02 -1.56 -3.33 113.55 105.59 2jhb h SER 12 Ca -0.00 -0.85 -0.03 0.00 -0.84 0.00 0.00 61.79 60.06 2jhb h SER 12 Cb 0.63 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2jhb h SER 12 CO 0.03 1.38 -0.14 0.50 -1.14 0.00 0.00 176.83 177.46 2jhb h LYS 13 N -0.12 0.04 -1.02 3.45 3.64 -0.04 0.20 116.57 122.73 2jhb h LYS 13 Ca -0.13 -0.01 0.32 0.00 -1.27 0.00 0.00 60.65 59.56 2jhb h LYS 13 Cb 1.58 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 33.25 2jhb h LYS 13 CO 0.16 0.19 0.59 0.35 -2.27 0.00 0.00 179.45 178.47 2jhb h PHE 14 N 0.04 0.92 0.00 1.91 3.57 -1.29 -2.07 116.94 120.02 2jhb h PHE 14 Ca 0.01 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 2jhb h PHE 14 Cb 0.28 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2jhb h PHE 14 CO 0.00 -0.15 -1.91 0.39 -2.23 0.00 0.00 178.31 174.41 2jhb n GLU 15 N -5.01 0.82 0.08 1.11 1.02 -0.30 -4.69 120.64 113.67 2jhb n GLU 15 Ca 0.31 -0.11 -0.21 0.00 -0.02 0.00 0.00 57.16 57.13 2jhb n GLU 15 Cb 0.98 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 30.84 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 0.00 0.64 -2.47 1.62 -0.26 -0.12 -3.44 115.58 111.57 2jhb h ASN 16 Ca -0.16 -0.90 -0.57 0.00 -0.56 0.00 0.00 56.30 54.12 2jhb h ASN 16 Cb 1.22 -0.21 0.06 0.00 -1.06 0.00 0.00 38.32 38.34 2jhb h ASN 16 CO 0.01 1.49 0.82 -0.62 -1.06 0.00 0.00 177.43 178.08 2jhb n GLU 17 N -3.98 2.30 -0.33 0.81 -0.58 -0.83 -4.89 120.64 113.14 2jhb n GLU 17 Ca -0.14 0.83 0.12 0.00 -0.42 0.00 0.00 57.16 57.55 2jhb n GLU 17 Cb 0.90 -2.60 0.33 0.00 -0.57 0.00 0.00 31.44 29.51 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 5.81 0.75 -0.01 3.49 4.39 -1.92 0.12 114.58 127.22 2jhb h GLU 18 Ca -0.45 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.22 2jhb h GLU 18 Cb 1.24 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 2jhb h GLU 18 CO 0.88 0.50 -0.07 0.35 -1.16 0.00 0.00 179.01 179.50 2jhb h PHE 19 N 0.78 -0.19 -0.36 4.33 3.04 -1.97 -0.83 116.94 121.73 2jhb h PHE 19 Ca 0.52 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 62.31 2jhb h PHE 19 Cb 0.79 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.38 2jhb h PHE 19 CO -0.00 -0.12 -0.42 0.74 -2.02 0.00 0.00 178.31 176.49 2jhb h PHE 20 N -0.13 1.12 0.00 0.41 0.04 -1.79 -3.13 116.94 113.46 2jhb h PHE 20 Ca 0.03 -0.35 -0.01 0.00 2.80 0.00 0.00 57.97 60.44 2jhb h PHE 20 Cb 0.17 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 2jhb h PHE 20 CO -0.15 1.18 -0.05 0.00 -0.60 0.00 0.00 178.31 178.70 2jhb h ARG 21 N 0.74 0.00 0.17 1.51 2.47 -0.61 0.18 114.38 118.83 2jhb h ARG 21 Ca 0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2jhb h ARG 21 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 2jhb h ARG 21 CO 0.10 0.05 -0.08 0.87 0.56 0.00 0.00 179.97 181.47 2jhb h LYS 22 N 0.00 -0.21 -0.08 0.04 1.57 -1.10 -3.20 116.57 113.59 2jhb h LYS 22 Ca -0.00 0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 2jhb h LYS 22 Cb 0.12 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2jhb h LYS 22 CO 0.01 -0.09 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.03 2jhb h LEU 23 N -0.29 0.45 0.00 2.94 3.38 -1.28 -3.43 115.31 117.08 2jhb h LEU 23 Ca -0.02 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2jhb h LEU 23 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jhb h LEU 23 CO 0.04 1.01 0.00 -0.24 0.09 0.00 0.00 178.44 179.34 2jhb n SER 24 N -3.85 0.00 -2.20 -0.43 2.88 0.51 -4.65 113.62 105.89 2jhb n SER 24 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2jhb n SER 24 Cb 0.69 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 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 8.43 1.86 -1.66 -1.46 1.74 -1.26 -2.72 116.66 121.59 2jhb n ARG 25 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 2jhb n ARG 25 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2jhb n ARG 25 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jhb s GLU 26 N 0.85 2.38 0.27 5.56 4.04 -1.26 -4.21 118.70 126.32 2jhb s GLU 26 Ca 0.00 1.36 0.03 0.00 0.04 0.00 0.00 54.97 56.40 2jhb s GLU 26 Cb 0.00 -4.51 -0.06 0.00 0.02 0.00 0.00 34.13 29.59 2jhb s GLU 26 CO 0.00 -2.97 0.06 0.00 -1.84 0.00 0.00 175.26 170.50 2jhb s GLU 28 N -3.94 4.70 0.16 0.00 2.12 -1.26 -1.02 118.70 119.47 2jhb s GLU 28 Ca 0.35 1.48 0.02 0.00 0.36 0.00 0.00 54.97 57.17 2jhb s GLU 28 Cb 0.08 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 2jhb s GLU 28 CO 0.13 0.37 -0.02 0.96 -0.54 0.00 0.00 175.26 176.16 2jhb s ILE 29 N -1.35 0.75 0.02 -3.70 -4.36 -0.07 -0.49 121.20 111.99 2jhb s ILE 29 Ca 0.45 -1.98 -0.22 0.00 -0.26 0.00 0.00 60.65 58.64 2jhb s ILE 29 Cb -0.24 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.47 2jhb s ILE 29 CO 0.30 -0.55 0.49 -0.75 0.24 0.00 0.00 174.94 174.67 2jhb s LYS 30 N -3.88 0.96 0.75 0.37 2.20 -0.31 -1.31 119.74 118.52 2jhb s LYS 30 Ca 0.22 -0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 55.49 2jhb s LYS 30 Cb 0.06 0.44 0.03 0.00 -1.51 0.00 0.00 37.83 36.84 2jhb s LYS 30 CO 0.03 -0.33 1.06 0.66 -0.36 0.00 0.00 175.35 176.41 2jhb n TYR 31 N 0.63 0.93 -1.04 4.03 4.02 0.18 0.15 117.16 126.06 2jhb n TYR 31 Ca -0.19 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2jhb n TYR 31 Cb 0.59 -2.10 0.00 0.00 -0.02 0.00 0.00 39.34 37.81 2jhb n TYR 31 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 2jhb n THR 32 N -2.74 0.00 0.00 -0.72 5.66 -0.75 -4.65 114.28 111.07 2jhb n THR 32 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 2jhb n THR 32 Cb 0.50 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 70.35 2jhb n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jhb n GLY 33 N 0.00 -1.26 0.32 1.09 0.00 0.45 -4.46 105.19 101.33 2jhb n GLY 33 Ca 0.00 -0.99 0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.00 0.00 1.61 3.04 -1.99 0.16 116.94 119.76 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 -2.13 -2.02 0.00 0.00 178.31 174.16 2jhb n ARG 35 N -3.00 0.75 -0.35 1.11 3.00 -1.26 -3.40 116.66 113.51 2jhb n ARG 35 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.85 2jhb n ARG 35 Cb 0.09 -1.22 0.09 0.00 0.00 0.00 0.00 32.46 31.41 2jhb n ARG 35 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2jhb n ASP 36 N -0.13 -0.47 -4.76 6.15 -0.08 0.54 -4.67 116.55 113.13 2jhb n ASP 36 Ca 0.00 1.64 -0.32 0.00 -1.51 0.00 0.00 54.79 54.60 2jhb n ASP 36 Cb 0.11 -0.44 0.07 0.00 2.34 0.00 0.00 41.12 43.20 2jhb n ASP 36 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jhb s ARG 37 N -6.05 2.48 0.99 -0.67 1.81 -1.22 -5.02 118.95 111.28 2jhb s ARG 37 Ca -0.14 1.34 -0.12 0.00 -1.72 0.00 0.00 55.73 55.09 2jhb s ARG 37 Cb 0.23 -1.91 0.19 0.00 -0.45 0.00 0.00 34.95 33.00 2jhb s ARG 37 CO 0.71 -1.49 1.08 -1.25 -0.68 0.00 0.00 175.30 173.67 2jhb s PRO 38 N -4.41 0.45 0.32 3.54 0.04 -1.26 -5.04 135.00 128.64 2jhb s PRO 38 Ca 0.65 0.84 0.11 0.00 0.04 0.00 0.00 61.00 62.64 2jhb s PRO 38 Cb -0.20 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2jhb s PRO 38 CO 0.48 -2.80 -0.14 -1.01 0.04 0.00 0.00 177.00 173.57 2jhb s HIS 39 N -2.78 2.36 0.00 0.56 0.09 -1.26 -4.93 115.29 109.33 2jhb s HIS 39 Ca 0.66 -0.43 0.00 0.00 -0.00 0.00 0.00 55.06 55.29 2jhb s HIS 39 Cb -0.20 -1.22 0.00 0.00 -0.00 0.00 0.00 32.58 31.15 2jhb s HIS 39 CO 0.59 0.64 0.00 -1.91 -0.00 0.00 0.00 174.74 174.06 2jhb n GLU 40 N -0.73 0.00 -2.46 1.40 2.13 -1.26 -4.94 120.64 114.78 2jhb n GLU 40 Ca -0.05 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.66 2jhb n GLU 40 Cb 0.62 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.37 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 0.00 2.61 -0.00 5.31 2.13 -1.26 -4.75 120.64 124.68 2jhb n GLU 41 Ca 0.00 -3.82 0.02 0.00 0.66 0.00 0.00 57.16 54.02 2jhb n GLU 41 Cb 0.00 -1.92 -0.03 0.00 0.27 0.00 0.00 31.44 29.76 2jhb n GLU 41 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jhb n ARG 42 N -0.64 3.91 -0.01 5.31 5.12 -1.26 -4.59 116.66 124.49 2jhb n ARG 42 Ca 0.24 -0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.02 2jhb n ARG 42 Cb 0.88 -0.82 -0.09 0.00 -1.16 0.00 0.00 32.46 31.27 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 0.04 -0.49 5.56 7.50 -1.91 0.17 115.11 125.98 2jhb h GLN 43 Ca 0.00 -0.02 -0.12 0.00 0.50 0.00 0.00 58.65 59.02 2jhb h GLN 43 Cb 0.13 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 2jhb h GLN 43 CO 0.00 0.43 -0.14 1.15 -1.50 0.00 0.00 178.83 178.77 2jhb h THR 44 N -0.35 1.27 -0.93 -0.54 2.02 -1.97 -2.79 112.91 109.62 2jhb h THR 44 Ca 0.00 -1.29 0.16 0.00 0.77 0.00 0.00 66.41 66.05 2jhb h THR 44 Cb 0.42 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.83 2jhb h THR 44 CO 0.00 0.45 0.60 -0.09 0.37 0.00 0.00 175.52 176.85 2jhb h ARG 45 N 0.82 0.70 -0.43 6.66 9.65 -1.80 -1.56 114.38 128.42 2jhb h ARG 45 Ca 0.12 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 2jhb h ARG 45 Cb 0.71 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 29.08 2jhb h ARG 45 CO 0.05 0.46 0.16 0.35 2.80 0.00 0.00 179.97 183.80 2jhb h PHE 46 N 0.72 0.28 -0.95 2.20 3.57 -0.37 0.31 116.94 122.70 2jhb h PHE 46 Ca 0.48 0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.11 2jhb h PHE 46 Cb 0.78 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 2jhb h PHE 46 CO -0.00 0.11 0.59 1.96 -2.23 0.00 0.00 178.31 178.74 2jhb h GLN 47 N 0.33 0.95 -0.25 1.11 7.50 -1.30 0.20 115.11 123.65 2jhb h GLN 47 Ca 0.20 -0.06 -0.13 0.00 0.50 0.00 0.00 58.65 59.16 2jhb h GLN 47 Cb 0.19 -0.21 -0.00 0.00 0.05 0.00 0.00 27.48 27.50 2jhb h GLN 47 CO -0.20 0.63 -0.35 -0.91 -1.50 0.00 0.00 178.83 176.50 2jhb h ASN 48 N 0.98 0.75 -0.29 1.46 -0.26 -0.58 -1.30 115.58 116.34 2jhb h ASN 48 Ca 0.46 -0.51 -0.08 0.00 -0.56 0.00 0.00 56.30 55.61 2jhb h ASN 48 Cb 0.38 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2jhb h ASN 48 CO -0.24 1.11 -0.08 0.00 -1.06 0.00 0.00 177.43 177.16 2jhb h ALA 49 N 0.66 1.12 0.00 -0.83 0.00 -0.25 -0.41 119.26 119.55 2jhb h ALA 49 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2jhb h ALA 49 Cb 0.94 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jhb h ALA 49 CO 0.08 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.80 2jhb n ARG 51 N -3.75 0.63 0.33 0.00 0.63 -0.51 -3.78 116.66 110.20 2jhb n ARG 51 Ca -0.02 0.11 0.18 0.00 -0.92 0.00 0.00 57.85 57.20 2jhb n ARG 51 Cb 0.18 -1.75 0.94 0.00 0.45 0.00 0.00 32.46 32.28 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 0.00 0.00 6.15 1.82 -0.71 -1.68 116.42 122.00 2jhb h ASP 52 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 2jhb h ASP 52 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 2jhb h ASP 52 CO 0.02 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.26 2jhb n GLY 53 N -1.19 0.51 3.51 -0.78 0.00 -1.24 -0.19 105.19 105.81 2jhb n GLY 53 Ca -0.02 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 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 0.10 -0.68 1.61 1.85 -1.26 -4.49 116.66 113.79 2jhb n ARG 54 Ca 0.00 0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2jhb n ARG 54 Cb 0.00 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.41 2jhb n ARG 54 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jhb n SER 55 N -1.38 0.00 -3.62 2.89 2.88 0.39 -4.93 113.62 109.85 2jhb n SER 55 Ca 0.10 -0.39 -0.21 0.00 -1.33 0.00 0.00 58.87 57.05 2jhb n SER 55 Cb 0.51 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.81 2jhb n SER 55 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jhb s GLU 56 N -0.16 0.04 -0.03 -1.46 2.02 -1.26 -2.02 118.70 115.83 2jhb s GLU 56 Ca 0.00 0.27 0.02 0.00 0.02 0.00 0.00 54.97 55.28 2jhb s GLU 56 Cb 0.00 -0.96 0.01 0.00 0.10 0.00 0.00 34.13 33.28 2jhb s GLU 56 CO 0.00 -0.48 -0.08 0.42 0.02 0.00 0.00 175.26 175.14 2jhb s ILE 57 N 2.22 0.72 0.40 -1.63 1.01 -0.20 -0.41 121.20 123.32 2jhb s ILE 57 Ca 0.04 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.45 2jhb s ILE 57 Cb -0.14 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2jhb s ILE 57 CO -0.07 0.23 0.36 0.00 0.00 0.00 0.00 174.94 175.46 2jhb s ALA 58 N 0.26 4.01 -0.09 9.38 0.00 0.12 -1.44 121.76 134.00 2jhb s ALA 58 Ca -0.04 -1.86 -0.12 0.00 0.00 0.00 0.00 51.96 49.94 2jhb s ALA 58 Cb -0.09 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 2jhb s ALA 58 CO 0.00 -0.19 0.28 -0.06 0.00 0.00 0.00 175.76 175.80 2jhb s PHE 59 N -2.45 3.60 -0.10 0.00 0.40 -0.38 -1.16 117.98 117.90 2jhb s PHE 59 Ca 0.47 0.71 -0.23 0.00 -0.60 0.00 0.00 56.93 57.28 2jhb s PHE 59 Cb -0.03 -2.19 -0.19 0.00 0.51 0.00 0.00 43.02 41.12 2jhb s PHE 59 CO 0.27 0.55 0.77 0.28 0.70 0.00 0.00 175.22 177.79 2jhb h VAL 60 N 4.10 1.27 -0.49 -0.44 2.07 -1.04 -1.92 116.25 119.80 2jhb h VAL 60 Ca -0.49 -1.69 0.10 0.00 0.82 0.00 0.00 66.70 65.43 2jhb h VAL 60 Cb 1.21 2.29 -0.10 0.00 -1.52 0.00 0.00 31.29 33.17 2jhb h VAL 60 CO 0.65 0.39 -0.17 0.00 0.02 0.00 0.00 177.57 178.45 2jhb h ALA 61 N -0.13 0.23 0.00 1.67 0.00 -1.76 -3.21 119.26 116.07 2jhb h ALA 61 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jhb h ALA 61 Cb 0.68 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jhb h ALA 61 CO 0.01 -0.50 -1.15 2.41 0.00 0.00 0.00 179.25 180.02 2jhb n THR 62 N -5.38 0.00 -2.30 0.00 -1.04 -1.26 -5.06 114.28 99.24 2jhb n THR 62 Ca 0.04 -0.19 -0.03 0.00 -2.04 0.00 0.00 64.05 61.83 2jhb n THR 62 Cb 0.29 0.45 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 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 1.94 -0.97 2.69 3.41 0.00 -0.72 -5.03 105.19 106.51 2jhb n GLY 63 Ca -0.01 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.29 0.15 0.12 2.61 2.01 -1.24 -4.91 115.64 112.10 2jhb s THR 64 Ca 0.09 -0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.78 2jhb s THR 64 Cb -0.03 -0.54 -0.09 0.00 0.01 0.00 0.00 72.50 71.85 2jhb s THR 64 CO 0.43 0.00 1.62 0.21 -0.69 0.00 0.00 174.62 176.20 2jhb s ASN 65 N 2.05 6.59 0.12 3.53 2.47 -1.26 -1.25 114.94 127.19 2jhb s ASN 65 Ca 0.03 2.56 0.04 0.00 0.42 0.00 0.00 52.86 55.91 2jhb s ASN 65 Cb -0.14 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.04 2jhb s ASN 65 CO -0.06 -0.86 -0.09 -1.48 -3.72 0.00 0.00 177.10 170.88 2jhb s LEU 66 N 1.94 2.50 -0.41 3.21 -0.00 -0.52 -4.96 118.68 120.45 2jhb s LEU 66 Ca 0.72 -0.97 -0.21 0.00 -0.00 0.00 0.00 54.13 53.68 2jhb s LEU 66 Cb -0.42 -0.27 0.02 0.00 -0.00 0.00 0.00 46.19 45.51 2jhb s LEU 66 CO 0.32 -0.35 0.64 -0.44 -0.00 0.00 0.00 176.35 176.53 2jhb s SER 67 N -2.98 6.36 0.65 1.48 0.01 -1.26 -1.03 113.70 116.92 2jhb s SER 67 Ca 0.13 -0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 2jhb s SER 67 Cb 0.02 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2jhb s SER 67 CO -0.01 -0.71 1.06 -0.76 0.41 0.00 0.00 173.24 173.23 2jhb s LEU 68 N 2.79 3.31 -0.50 2.44 1.43 -0.86 -4.91 118.68 122.39 2jhb s LEU 68 Ca 0.23 1.73 0.07 0.00 -1.03 0.00 0.00 54.13 55.13 2jhb s LEU 68 Cb -0.14 -4.52 0.19 0.00 0.03 0.00 0.00 46.19 41.75 2jhb s LEU 68 CO 0.18 -1.34 0.73 0.00 0.23 0.00 0.00 176.35 176.15 2jhb s GLN 69 N -4.55 1.01 -0.72 1.70 -2.07 -1.26 -0.46 119.66 113.31 2jhb s GLN 69 Ca 0.61 -0.93 -0.04 0.00 -1.82 0.00 0.00 55.36 53.18 2jhb s GLN 69 Cb -0.15 -0.03 0.11 0.00 -1.09 0.00 0.00 33.01 31.85 2jhb s GLN 69 CO 0.46 -1.27 2.58 1.19 -1.32 0.00 0.00 175.29 176.93 2jhb n PHE 70 N 3.12 2.00 -3.48 9.60 3.01 -1.26 -4.27 117.46 126.17 2jhb n PHE 70 Ca 0.17 -2.21 -0.18 0.00 1.01 0.00 0.00 57.45 56.24 2jhb n PHE 70 Cb 0.56 -1.47 -0.13 0.00 -0.01 0.00 0.00 39.48 38.44 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2jhb s PHE 71 N -1.87 -0.29 0.00 1.38 0.40 -1.26 -4.87 117.98 111.46 2jhb s PHE 71 Ca 0.56 0.20 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 2jhb s PHE 71 Cb 0.33 -0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.50 2jhb s PHE 71 CO -0.20 -0.63 0.00 -0.35 0.70 0.00 0.00 175.22 174.74 2jhb n PRO 72 N 5.32 0.00 -1.39 0.24 -0.04 -1.26 -4.00 135.00 133.88 2jhb n PRO 72 Ca -0.05 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 2jhb n PRO 72 Cb 0.49 -0.05 -0.05 0.00 -0.04 0.00 0.00 33.50 33.85 2jhb n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jhb n ALA 73 N -3.00 3.44 -1.13 0.55 0.00 -1.26 -4.86 120.51 114.25 2jhb n ALA 73 Ca 0.00 -3.37 -0.44 0.00 0.00 0.00 0.00 53.44 49.63 2jhb n ALA 73 Cb 0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 19.45 15.78 2jhb n ALA 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jhb n SER 74 N 8.17 0.62 -3.39 0.00 2.88 -1.26 -4.98 113.62 115.66 2jhb n SER 74 Ca 0.49 0.79 -0.31 0.00 -1.33 0.00 0.00 58.87 58.51 2jhb n SER 74 Cb 0.41 -0.59 0.28 0.00 -0.75 0.00 0.00 64.21 63.56 2jhb n SER 74 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2jhb s TRP 75 N 1.55 -0.62 -0.47 0.66 0.51 -1.26 -4.85 118.94 114.46 2jhb s TRP 75 Ca 0.68 0.47 0.05 0.00 -2.12 0.00 0.00 56.10 55.18 2jhb s TRP 75 Cb -0.97 -3.04 0.27 0.00 -0.81 0.00 0.00 33.47 28.92 2jhb s TRP 75 CO 0.51 -4.86 1.02 0.00 -0.51 0.00 0.00 176.95 173.11 2jhb n GLN 76 N -5.50 0.03 0.00 4.98 -0.00 -1.26 -4.77 117.38 110.86 2jhb n GLN 76 Ca 0.14 0.42 0.00 0.00 -0.00 0.00 0.00 57.00 57.56 2jhb n GLN 76 Cb 0.60 -1.79 0.00 0.00 -0.00 0.00 0.00 30.24 29.05 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 -1.32 2.59 3.30 2.61 0.00 -1.26 -5.11 105.19 105.99 2jhb n GLY 77 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 2jhb n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jhb s GLU 78 N 0.00 1.48 -0.64 1.61 8.01 -1.26 -4.49 118.70 123.41 2jhb s GLU 78 Ca 0.00 -1.72 -0.09 0.00 0.01 0.00 0.00 54.97 53.17 2jhb s GLU 78 Cb 0.00 0.33 0.01 0.00 -4.31 0.00 0.00 34.13 30.16 2jhb s GLU 78 CO 0.00 -0.54 0.54 1.04 0.01 0.00 0.00 175.26 176.31 2jhb n GLN 79 N -0.42 -1.45 -2.09 1.61 1.13 0.73 -4.91 117.38 111.98 2jhb n GLN 79 Ca 0.03 0.80 -0.38 0.00 -1.94 0.00 0.00 57.00 55.51 2jhb n GLN 79 Cb 0.64 -1.89 0.00 0.00 0.11 0.00 0.00 30.24 29.10 2jhb n GLN 79 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2jhb s ARG 80 N -3.99 3.72 -0.17 -1.09 6.06 -0.63 -4.98 118.95 117.87 2jhb s ARG 80 Ca 0.09 2.00 -0.18 0.00 -2.50 0.00 0.00 55.73 55.14 2jhb s ARG 80 Cb -0.01 -2.51 -0.22 0.00 0.06 0.00 0.00 34.95 32.26 2jhb s ARG 80 CO 0.79 -0.65 0.35 1.96 -2.50 0.00 0.00 175.30 175.24 2jhb h GLN 81 N 2.18 0.10 -2.98 5.12 1.08 -1.91 -3.45 115.11 115.25 2jhb h GLN 81 Ca -0.50 -0.17 -0.56 0.00 -1.45 0.00 0.00 58.65 55.98 2jhb h GLN 81 Cb 1.26 0.06 -0.40 0.00 -0.05 0.00 0.00 27.48 28.35 2jhb h GLN 81 CO 0.61 1.08 -0.78 0.99 -0.95 0.00 0.00 178.83 179.77 2jhb s THR 82 N -2.41 0.32 1.14 -0.54 2.01 -1.26 -5.15 115.64 109.75 2jhb s THR 82 Ca -0.25 -1.21 -0.17 0.00 0.31 0.00 0.00 61.69 60.37 2jhb s THR 82 Cb 0.05 -1.26 0.26 0.00 0.01 0.00 0.00 72.50 71.56 2jhb s THR 82 CO 0.67 -0.77 0.59 -2.65 -0.69 0.00 0.00 174.62 171.76 2jhb n PRO 83 N 4.83 -2.78 -1.80 4.92 -0.02 -1.26 -5.04 135.00 133.85 2jhb n PRO 83 Ca -0.01 -0.99 -0.30 0.00 -2.02 0.00 0.00 63.50 60.18 2jhb n PRO 83 Cb 0.41 -1.57 0.05 0.00 -0.02 0.00 0.00 33.50 32.37 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 -2.44 5.38 0.02 2.55 0.01 -1.26 -4.92 113.70 113.03 2jhb s SER 84 Ca 0.45 1.23 -0.12 0.00 1.31 0.00 0.00 55.95 58.83 2jhb s SER 84 Cb -0.08 -2.06 -0.07 0.00 0.21 0.00 0.00 66.02 64.03 2jhb s SER 84 CO 0.38 -1.40 1.18 -0.09 0.41 0.00 0.00 173.24 173.72 2jhb h ARG 85 N -0.69 -0.41 0.00 12.44 2.43 -1.92 -1.94 114.38 124.29 2jhb h ARG 85 Ca -0.45 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 2jhb h ARG 85 Cb 1.24 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2jhb h ARG 85 CO 0.62 -0.28 -0.06 1.49 -1.51 0.00 0.00 179.97 180.23 2jhb h GLU 86 N -0.43 0.00 0.63 0.20 4.57 -1.95 -3.11 114.58 114.49 2jhb h GLU 86 Ca -0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2jhb h GLU 86 Cb 0.33 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2jhb h GLU 86 CO 0.07 0.06 -0.30 1.88 -1.18 0.00 0.00 179.01 179.54 2jhb h TYR 87 N 0.00 -0.79 -2.98 0.92 -1.99 -1.68 -2.45 116.97 108.01 2jhb h TYR 87 Ca -0.00 -0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.57 2jhb h TYR 87 Cb 0.40 0.26 -0.25 0.00 2.00 0.00 0.00 36.73 39.14 2jhb h TYR 87 CO 0.00 -0.49 -0.34 0.08 -0.00 0.00 0.00 178.16 177.41 2jhb s VAL 88 N -4.41 0.00 -0.93 -2.88 1.01 -0.75 -2.52 120.40 109.91 2jhb s VAL 88 Ca -0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2jhb s VAL 88 Cb 0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2jhb s VAL 88 CO 0.37 -0.02 0.77 -0.67 0.00 0.00 0.00 175.10 175.55 2jhb n ASP 89 N 2.79 -6.50 0.03 3.32 2.03 -1.26 -4.56 116.55 112.41 2jhb n ASP 89 Ca -0.14 -0.60 -0.02 0.00 0.52 0.00 0.00 54.79 54.56 2jhb n ASP 89 Cb 0.58 -4.32 -0.01 0.00 -0.72 0.00 0.00 41.12 36.65 2jhb n ASP 89 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2jhb h LEU 90 N -0.65 -0.11 0.00 -2.67 -0.00 -1.88 -3.48 115.31 106.53 2jhb h LEU 90 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 2jhb h LEU 90 Cb 1.22 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2jhb h LEU 90 CO 0.39 0.12 0.00 1.21 -0.00 0.00 0.00 178.44 180.16 2jhb n GLU 91 N -3.40 0.00 0.00 0.17 2.13 -1.26 -4.98 120.64 113.29 2jhb n GLU 91 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2jhb n GLU 91 Cb 0.05 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.76 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 -0.78 0.00 -0.91 5.31 3.00 -1.26 -5.17 116.66 116.85 2jhb n ARG 92 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2jhb n ARG 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2jhb n GLU 93 N 2.28 1.42 -1.16 -0.14 0.00 -0.38 -4.97 120.64 117.69 2jhb n GLU 93 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.90 2jhb n GLU 93 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.32 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 0.43 -1.32 4.31 0.00 -1.26 -3.28 120.51 116.39 2jhb n ALA 94 Ca 0.00 -2.39 -0.13 0.00 0.00 0.00 0.00 53.44 50.92 2jhb n ALA 94 Cb 0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 19.45 15.93 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 5.68 1.21 3.24 0.00 0.00 -1.26 -4.94 105.19 109.11 2jhb n GLY 95 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 2jhb n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s LYS 96 N -2.98 1.05 0.13 1.61 -2.85 -1.21 -0.52 119.74 114.97 2jhb s LYS 96 Ca 0.00 -1.47 0.08 0.00 -1.00 0.00 0.00 55.97 53.58 2jhb s LYS 96 Cb 0.00 -0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 35.32 2jhb s LYS 96 CO 0.00 -0.03 -0.13 0.54 0.10 0.00 0.00 175.35 175.83 2jhb s VAL 97 N -3.51 3.13 0.41 1.79 0.11 -0.00 -1.25 120.40 121.08 2jhb s VAL 97 Ca 0.19 -1.45 -0.05 0.00 -2.93 0.00 0.00 61.98 57.75 2jhb s VAL 97 Cb 0.05 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 2jhb s VAL 97 CO 0.01 0.06 0.69 -0.31 -3.33 0.00 0.00 175.10 172.22 2jhb s TYR 98 N -1.30 3.52 0.03 1.54 1.51 -1.26 -0.49 117.35 120.91 2jhb s TYR 98 Ca 0.21 0.71 -0.06 0.00 -1.01 0.00 0.00 57.07 56.92 2jhb s TYR 98 Cb -0.10 -2.20 -0.01 0.00 -0.11 0.00 0.00 41.96 39.54 2jhb s TYR 98 CO 0.13 -0.09 0.11 -0.51 -1.11 0.00 0.00 175.55 174.08 2jhb s LEU 99 N -4.32 1.72 -0.29 -1.29 1.43 -0.00 -4.61 118.68 111.31 2jhb s LEU 99 Ca 0.46 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 2jhb s LEU 99 Cb -0.10 0.64 0.12 0.00 0.03 0.00 0.00 46.19 46.87 2jhb s LEU 99 CO 0.38 -0.48 0.78 -0.75 0.23 0.00 0.00 176.35 176.52 2jhb s LYS 100 N -2.30 0.55 -0.12 1.70 2.20 -0.92 -1.40 119.74 119.45 2jhb s LYS 100 Ca -0.07 1.11 -0.02 0.00 -0.36 0.00 0.00 55.97 56.63 2jhb s LYS 100 Cb -0.03 0.37 0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2jhb s LYS 100 CO -0.03 -0.14 0.01 0.00 -0.36 0.00 0.00 175.35 174.83 2jhb s ALA 101 N 2.04 0.82 0.23 3.13 0.00 -0.25 -4.31 121.76 123.43 2jhb s ALA 101 Ca -0.08 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2jhb s ALA 101 Cb -0.07 -0.90 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 2jhb s ALA 101 CO -0.18 -0.71 1.48 -1.25 0.00 0.00 0.00 175.76 175.10 2jhb s PRO 102 N 1.93 4.24 0.06 0.00 0.04 -1.26 -1.34 135.00 138.68 2jhb s PRO 102 Ca 0.03 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2jhb s PRO 102 Cb -0.14 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2jhb s PRO 102 CO -0.06 -0.48 -0.05 0.00 0.04 0.00 0.00 177.00 176.45 2jhb s MET 103 N -0.06 0.64 -0.55 4.56 0.23 0.08 -4.70 119.30 119.51 2jhb s MET 103 Ca 0.62 -1.14 0.07 0.00 -1.03 0.00 0.00 55.69 54.20 2jhb s MET 103 Cb -0.43 0.00 0.27 0.00 -1.53 0.00 0.00 34.83 33.14 2jhb s MET 103 CO 0.41 -0.05 0.70 -0.89 -2.03 0.00 0.00 175.02 173.16 2jhb n ILE 104 N 0.37 1.42 -3.04 3.16 5.41 -1.26 -0.95 119.36 124.47 2jhb n ILE 104 Ca -0.15 -4.88 -0.40 0.00 1.00 0.00 0.00 62.75 58.32 2jhb n ILE 104 Cb 0.60 -1.88 -0.05 0.00 -0.71 0.00 0.00 39.64 37.60 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 -2.21 4.34 0.00 1.39 2.01 -1.07 -4.06 118.68 119.09 2jhb s LEU 105 Ca 0.39 1.24 0.00 0.00 0.01 0.00 0.00 54.13 55.77 2jhb s LEU 105 Cb 0.18 -3.11 0.00 0.00 0.01 0.00 0.00 46.19 43.27 2jhb s LEU 105 CO -0.06 -0.09 0.00 -3.20 1.01 0.00 0.00 176.35 174.02 2jhb n ASN 106 N 3.56 0.00 0.00 2.29 2.85 -1.26 -0.60 115.26 122.11 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 0.51 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 41.24 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 -1.17 1.92 3.21 8.20 0.00 -1.26 -4.56 105.19 111.53 2jhb n GLY 107 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 2.79 -1.11 1.61 1.01 0.23 -0.54 120.40 122.39 2jhb s VAL 108 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 2jhb s VAL 108 Cb 0.00 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2jhb s VAL 108 CO 0.00 0.40 1.79 0.00 0.00 0.00 0.00 175.10 177.29 2jhb s VAL 110 N 7.95 2.20 -0.21 0.00 -7.23 -0.13 -0.96 120.40 122.03 2jhb s VAL 110 Ca 0.61 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 2jhb s VAL 110 Cb -0.01 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 33.97 2jhb s VAL 110 CO 0.04 0.00 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.05 2jhb s ILE 111 N -3.34 2.36 0.04 -0.62 1.01 0.35 -0.74 121.20 120.26 2jhb s ILE 111 Ca 0.61 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 2jhb s ILE 111 Cb -0.10 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2jhb s ILE 111 CO 0.46 0.40 1.01 0.86 0.00 0.00 0.00 174.94 177.66 2jhb s TRP 112 N 1.29 3.67 0.07 3.97 -0.00 -0.45 -0.19 118.94 127.30 2jhb s TRP 112 Ca 0.02 1.67 0.01 0.00 -0.00 0.00 0.00 56.10 57.80 2jhb s TRP 112 Cb -0.15 -3.15 -0.04 0.00 -0.00 0.00 0.00 33.47 30.14 2jhb s TRP 112 CO -0.09 -0.14 -0.05 -1.59 -0.00 0.00 0.00 176.95 175.07 2jhb s LYS 113 N 0.71 0.66 0.00 5.86 -2.85 -0.70 -1.09 119.74 122.32 2jhb s LYS 113 Ca 0.51 -1.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 2jhb s LYS 113 Cb -0.23 -0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.47 2jhb s LYS 113 CO 0.29 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.11 2jhb n GLY 114 N 0.45 -1.04 2.98 0.59 0.00 -0.49 -0.65 105.19 107.04 2jhb n GLY 114 Ca -0.16 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 0.48 -0.20 1.61 -2.14 0.63 -0.82 118.94 115.51 2jhb s TRP 115 Ca 0.00 -0.19 0.01 0.00 2.66 0.00 0.00 56.10 58.59 2jhb s TRP 115 Cb 0.00 -0.31 0.03 0.00 -3.10 0.00 0.00 33.47 30.10 2jhb s TRP 115 CO 0.00 -0.03 -0.17 0.42 -2.66 0.00 0.00 176.95 174.51 2jhb s ILE 116 N -0.43 2.11 0.40 0.66 -1.09 0.36 -0.83 121.20 122.38 2jhb s ILE 116 Ca -0.01 -1.12 -0.25 0.00 -2.23 0.00 0.00 60.65 57.04 2jhb s ILE 116 Cb -0.04 -1.98 -0.08 0.00 -1.58 0.00 0.00 42.46 38.77 2jhb s ILE 116 CO -0.00 0.38 1.13 -0.62 -1.23 0.00 0.00 174.94 174.61 2jhb s ASP 117 N 1.24 6.56 -0.71 3.58 -1.08 0.03 -0.82 116.67 125.47 2jhb s ASP 117 Ca 0.01 2.26 -0.06 0.00 -0.52 0.00 0.00 52.55 54.24 2jhb s ASP 117 Cb -0.15 -2.61 -0.05 0.00 -1.46 0.00 0.00 42.92 38.65 2jhb s ASP 117 CO -0.11 -0.64 2.98 0.18 0.52 0.00 0.00 175.17 178.10 2jhb n LEU 118 N -0.01 6.85 0.00 -1.34 4.77 0.32 -2.87 117.00 124.72 2jhb n LEU 118 Ca 0.05 -4.03 0.00 0.00 -0.03 0.00 0.00 56.01 52.00 2jhb n LEU 118 Cb 0.47 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2jhb n LEU 118 CO 0.49 1.85 0.00 0.00 -1.33 0.00 0.00 177.39 178.40 2jhb n HIS 119 N 2.02 0.00 0.23 -1.77 1.44 -1.26 -4.91 115.22 110.96 2jhb n HIS 119 Ca 0.55 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.38 2jhb n HIS 119 Cb 0.54 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.87 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 0.00 2.51 -2.87 -1.40 1.74 -1.26 -4.78 116.66 110.60 2jhb n ARG 120 Ca 0.00 -2.31 -0.13 0.00 -0.77 0.00 0.00 57.85 54.64 2jhb n ARG 120 Cb 0.00 -1.51 0.03 0.00 -1.02 0.00 0.00 32.46 29.96 2jhb n ARG 120 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jhb n LEU 121 N 1.48 -2.45 0.00 0.55 7.99 -1.14 -4.72 117.00 118.71 2jhb n LEU 121 Ca 0.19 -0.22 -0.24 0.00 -0.01 0.00 0.00 56.01 55.73 2jhb n LEU 121 Cb 0.60 -1.87 0.13 0.00 -0.11 0.00 0.00 43.42 42.18 2jhb n LEU 121 CO 0.16 0.24 0.61 0.47 -1.51 0.00 0.00 177.39 177.36 2jhb n ASP 122 N -0.76 1.14 0.00 -1.43 9.92 -1.26 -0.65 116.55 123.52 2jhb n ASP 122 Ca -0.03 -2.03 0.00 0.00 -0.53 0.00 0.00 54.79 52.20 2jhb n ASP 122 Cb 0.55 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 2jhb n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jhb n GLY 123 N -2.84 -0.09 3.07 0.44 0.00 -0.42 -0.79 105.19 104.56 2jhb n GLY 123 Ca 0.17 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 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 0.94 0.31 1.61 -1.94 -0.01 -0.90 119.30 117.31 2jhb s MET 124 Ca 0.00 -0.45 -0.18 0.00 -1.71 0.00 0.00 55.69 53.35 2jhb s MET 124 Cb 0.00 -0.91 0.03 0.00 2.01 0.00 0.00 34.83 35.95 2jhb s MET 124 CO 0.00 0.25 0.70 0.20 -0.01 0.00 0.00 175.02 176.16 2jhb s GLY 125 N -0.36 0.17 0.09 -0.03 0.00 -0.18 -0.26 107.32 106.74 2jhb s GLY 125 Ca 0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.20 2jhb s GLY 125 CO -0.00 -0.25 0.15 0.00 0.00 0.00 0.00 173.10 173.00 2jhb s LEU 127 N 0.00 3.75 0.35 0.00 1.43 -1.10 -1.72 118.68 121.38 2jhb s LEU 127 Ca 0.05 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2jhb s LEU 127 Cb -0.01 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2jhb s LEU 127 CO 0.04 0.03 0.46 -0.70 0.23 0.00 0.00 176.35 176.40 2jhb s GLU 128 N -3.40 1.91 0.09 1.70 2.56 0.74 -4.85 118.70 117.45 2jhb s GLU 128 Ca 0.31 -1.80 0.08 0.00 0.00 0.00 0.00 54.97 53.57 2jhb s GLU 128 Cb -0.09 0.43 -0.04 0.00 2.00 0.00 0.00 34.13 36.44 2jhb s GLU 128 CO 0.24 -0.79 -0.17 0.12 -0.56 0.00 0.00 175.26 174.10 2jhb s PHE 129 N -3.06 2.57 -0.71 5.30 5.36 -1.26 -0.50 117.98 125.68 2jhb s PHE 129 Ca 0.32 -0.24 -0.05 0.00 -0.96 0.00 0.00 56.93 55.99 2jhb s PHE 129 Cb -0.00 -1.40 0.18 0.00 -0.34 0.00 0.00 43.02 41.47 2jhb s PHE 129 CO 0.21 0.35 0.56 0.34 -1.46 0.00 0.00 175.22 175.23 2jhb s ASP 130 N -1.92 5.66 0.37 6.13 -1.08 -0.13 -4.52 116.67 121.18 2jhb s ASP 130 Ca 0.17 -2.96 0.06 0.00 -0.52 0.00 0.00 52.55 49.31 2jhb s ASP 130 Cb -0.11 -1.94 0.73 0.00 -1.46 0.00 0.00 42.92 40.15 2jhb s ASP 130 CO 0.09 -0.38 1.95 -0.08 0.52 0.00 0.00 175.17 177.27 2jhb h GLU 131 N 7.02 0.46 0.01 4.34 4.81 -1.98 0.20 114.58 129.45 2jhb h GLU 131 Ca 0.04 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jhb h GLU 131 Cb 0.95 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2jhb h GLU 131 CO 0.74 0.44 -0.01 1.49 -0.73 0.00 0.00 179.01 180.95 2jhb h GLU 132 N 0.46 -0.01 -0.47 1.92 4.81 -1.95 -3.05 114.58 116.28 2jhb h GLU 132 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2jhb h GLU 132 Cb 0.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2jhb h GLU 132 CO -0.00 0.79 0.29 -0.09 -0.73 0.00 0.00 179.01 179.27 2jhb h ARG 133 N -0.89 0.62 -0.32 1.92 9.65 -1.86 0.12 114.38 123.62 2jhb h ARG 133 Ca -0.00 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2jhb h ARG 133 Cb 0.81 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 2jhb h ARG 133 CO 0.00 0.43 0.19 0.00 2.80 0.00 0.00 179.97 183.39 2jhb h ALA 134 N 1.69 0.41 0.00 2.80 0.00 -1.05 0.20 119.26 123.31 2jhb h ALA 134 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2jhb h ALA 134 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jhb h ALA 134 CO -0.03 -0.09 -0.29 1.96 0.00 0.00 0.00 179.25 180.80 2jhb h GLN 135 N 0.41 0.00 0.01 0.00 4.20 -1.17 -0.95 115.11 117.60 2jhb h GLN 135 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2jhb h GLN 135 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2jhb h GLN 135 CO -0.02 0.29 -0.00 0.37 -0.67 0.00 0.00 178.83 178.79 2jhb h GLN 136 N 0.00 -0.01 -0.21 1.46 -0.00 -0.25 -2.80 115.11 113.30 2jhb h GLN 136 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.58 2jhb h GLN 136 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 2jhb h GLN 136 CO 0.04 0.64 -0.16 1.49 0.00 0.00 0.00 178.83 180.84 2jhb h GLU 137 N -0.67 0.36 0.10 1.69 4.57 -0.51 -0.59 114.58 119.52 2jhb h GLU 137 Ca -0.00 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2jhb h GLU 137 Cb 0.66 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2jhb h GLU 137 CO 0.00 0.52 -0.05 -0.44 -1.18 0.00 0.00 179.01 177.86 2jhb h ASP 138 N 0.33 -0.11 -0.92 1.04 3.32 -1.26 -1.52 116.42 117.30 2jhb h ASP 138 Ca 0.06 -0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.14 2jhb h ASP 138 Cb 0.48 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 2jhb h ASP 138 CO 0.03 -0.02 0.57 0.00 -1.72 0.00 0.00 179.24 178.10 2jhb h ALA 139 N 0.70 1.31 0.00 3.45 0.00 -1.11 -1.41 119.26 122.20 2jhb h ALA 139 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jhb h ALA 139 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jhb h ALA 139 CO 0.02 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.82 2jhb n LEU 140 N -4.62 0.45 -0.71 0.00 4.77 -0.29 -2.21 117.00 114.39 2jhb n LEU 140 Ca 0.15 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2jhb n LEU 140 Cb 0.24 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2jhb n LEU 140 CO 0.29 -0.51 0.24 0.00 -1.33 0.00 0.00 177.39 176.08 2jhb n ALA 141 N -1.69 2.07 -3.54 -1.18 0.00 -0.53 -4.67 120.51 110.97 2jhb n ALA 141 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 2jhb n ALA 141 Cb 0.19 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 0.38 -1.35 0.00 0.00 6.02 -1.25 -4.86 117.38 116.32 2jhb n GLN 142 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 2jhb n GLN 142 Cb 0.24 -4.22 0.00 0.00 1.02 0.00 0.00 30.24 27.28 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99