#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 4.08 -2.79 1.61 7.64 -1.26 -4.42 113.62 118.48 2jhb n SER 2 Ca 0.00 -2.33 -0.10 0.00 1.01 0.00 0.00 58.87 57.45 2jhb n SER 2 Cb 0.00 -0.76 0.05 0.00 -1.01 0.00 0.00 64.21 62.49 2jhb n SER 2 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2jhb n MET 3 N 0.67 0.88 -0.05 1.43 0.00 -1.26 -4.95 117.12 113.84 2jhb n MET 3 Ca 0.07 -1.98 0.00 0.00 -0.00 0.00 0.00 57.70 55.79 2jhb n MET 3 Cb 0.59 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.51 2jhb n MET 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2jhb n PRO 4 N 1.07 0.85 0.00 2.12 -0.04 -1.26 -4.31 135.00 133.43 2jhb n PRO 4 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2jhb n PRO 4 Cb 0.65 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.11 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 -0.37 0.00 -4.62 0.54 5.12 -1.26 -4.43 116.66 111.65 2jhb n ARG 5 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 2jhb n ARG 5 Cb 0.00 -1.32 -0.08 0.00 -1.16 0.00 0.00 32.46 29.90 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 -0.32 0.80 0.29 1.55 -7.23 -1.26 -4.28 120.40 109.96 2jhb s VAL 6 Ca 0.00 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.27 2jhb s VAL 6 Cb 0.00 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 2jhb s VAL 6 CO 0.00 0.00 -0.13 0.68 -0.31 0.00 0.00 175.10 175.34 2jhb s VAL 7 N -3.07 2.14 0.61 1.32 -7.23 -0.81 -4.43 120.40 108.93 2jhb s VAL 7 Ca 0.16 -2.26 -0.19 0.00 -1.81 0.00 0.00 61.98 57.89 2jhb s VAL 7 Cb 0.02 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2jhb s VAL 7 CO 0.10 -0.33 1.23 -2.84 -0.31 0.00 0.00 175.10 172.95 2jhb s PRO 8 N -3.60 2.87 -1.02 4.82 0.02 -1.26 -3.90 135.00 132.92 2jhb s PRO 8 Ca 0.30 1.90 -0.18 0.00 0.02 0.00 0.00 61.00 63.04 2jhb s PRO 8 Cb -0.00 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.63 2jhb s PRO 8 CO 0.14 -1.30 0.65 -3.47 -0.33 0.00 0.00 177.00 172.68 2jhb n ASP 9 N -1.65 -4.52 -0.28 2.53 -0.08 -1.26 -4.74 116.55 106.54 2jhb n ASP 9 Ca 0.14 -1.13 0.09 0.00 -1.51 0.00 0.00 54.79 52.38 2jhb n ASP 9 Cb 0.49 -1.71 0.25 0.00 2.34 0.00 0.00 41.12 42.49 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2jhb h GLN 10 N -1.48 0.36 -0.06 -0.67 4.20 -1.91 0.28 115.11 115.83 2jhb h GLN 10 Ca -0.67 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 57.86 2jhb h GLN 10 Cb 1.40 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 2jhb h GLN 10 CO 0.44 0.24 -0.66 -0.09 -0.67 0.00 0.00 178.83 178.10 2jhb h ARG 11 N 0.37 0.24 -0.37 1.46 9.65 -1.94 0.14 114.38 123.93 2jhb h ARG 11 Ca 0.49 -0.18 -0.12 0.00 -1.10 0.00 0.00 59.98 59.07 2jhb h ARG 11 Cb 0.87 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 2jhb h ARG 11 CO -0.50 0.81 -0.25 1.03 2.80 0.00 0.00 179.97 183.86 2jhb h SER 12 N 0.17 0.77 -0.80 -3.80 0.87 -1.67 -2.91 113.55 106.18 2jhb h SER 12 Ca -0.01 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 2jhb h SER 12 Cb 1.19 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 2jhb h SER 12 CO 0.10 0.99 0.43 0.50 -0.53 0.00 0.00 176.83 178.32 2jhb h LYS 13 N 0.65 1.14 0.00 2.24 1.63 -0.30 -0.20 116.57 121.72 2jhb h LYS 13 Ca 0.09 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2jhb h LYS 13 Cb 0.76 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2jhb h LYS 13 CO 0.06 0.84 0.00 0.34 -3.45 0.00 0.00 179.45 177.25 2jhb n PHE 14 N -4.33 0.00 0.02 1.91 7.35 0.43 -1.15 117.46 121.69 2jhb n PHE 14 Ca 0.08 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.80 2jhb n PHE 14 Cb 0.11 -0.20 -0.03 0.00 0.35 0.00 0.00 39.48 39.71 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 -1.20 0.77 -0.05 -4.13 -0.58 -0.68 -4.83 120.64 109.93 2jhb n GLU 15 Ca 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 2jhb n GLU 15 Cb 0.05 -1.06 -0.01 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.00 -1.33 1.62 -0.26 0.47 -3.46 115.58 112.61 2jhb h ASN 16 Ca 0.00 -0.05 -0.68 0.00 -0.56 0.00 0.00 56.30 55.01 2jhb h ASN 16 Cb 0.20 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 2jhb h ASN 16 CO 0.00 0.55 1.24 -0.62 -1.06 0.00 0.00 177.43 177.54 2jhb n GLU 17 N -4.76 1.25 0.11 0.81 -0.58 -0.30 -4.80 120.64 112.36 2jhb n GLU 17 Ca -0.01 0.40 0.07 0.00 -0.42 0.00 0.00 57.16 57.19 2jhb n GLU 17 Cb 0.05 -2.38 0.35 0.00 -0.57 0.00 0.00 31.44 28.89 2jhb n GLU 17 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jhb n GLU 18 N 7.23 0.08 0.18 3.49 -0.58 -1.26 -2.14 120.64 127.65 2jhb n GLU 18 Ca 0.35 0.57 -0.16 0.00 -0.42 0.00 0.00 57.16 57.50 2jhb n GLU 18 Cb 0.21 -1.84 -0.09 0.00 -0.57 0.00 0.00 31.44 29.15 2jhb n GLU 18 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2jhb h PHE 19 N 0.00 -1.32 0.00 -0.32 3.04 -1.99 -3.17 116.94 113.19 2jhb h PHE 19 Ca 0.00 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.83 2jhb h PHE 19 Cb 0.12 0.54 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 2jhb h PHE 19 CO 0.00 -0.57 -0.91 0.27 -2.02 0.00 0.00 178.31 175.08 2jhb h PHE 20 N -0.79 0.00 0.00 0.41 -5.15 -1.82 -3.28 116.94 106.30 2jhb h PHE 20 Ca -0.03 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.71 2jhb h PHE 20 Cb 0.74 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.90 2jhb h PHE 20 CO -0.34 0.61 -0.14 0.00 -2.00 0.00 0.00 178.31 176.45 2jhb h ARG 21 N 0.00 0.00 -0.23 6.09 2.47 -1.54 0.44 114.38 121.61 2jhb h ARG 21 Ca -0.07 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.52 2jhb h ARG 21 Cb 1.53 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.84 2jhb h ARG 21 CO 0.07 0.14 -0.41 0.87 0.56 0.00 0.00 179.97 181.19 2jhb h LYS 22 N 0.00 0.56 0.02 0.04 1.57 -1.61 -3.20 116.57 113.95 2jhb h LYS 22 Ca -0.00 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.37 2jhb h LYS 22 Cb 0.28 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.61 2jhb h LYS 22 CO 0.02 0.87 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.22 2jhb h LEU 23 N 0.46 0.39 0.00 2.94 3.38 -1.07 -3.37 115.31 118.04 2jhb h LEU 23 Ca 0.04 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2jhb h LEU 23 Cb 0.92 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2jhb h LEU 23 CO 0.08 1.15 0.00 -1.54 0.09 0.00 0.00 178.44 178.22 2jhb n SER 24 N -4.33 -1.48 -3.57 -0.43 3.41 0.13 -4.61 113.62 102.74 2jhb n SER 24 Ca -0.11 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.24 2jhb n SER 24 Cb 0.62 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.77 2jhb n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jhb n ARG 25 N 0.00 -1.84 -1.39 4.33 1.74 -1.26 -2.42 116.66 115.82 2jhb n ARG 25 Ca 0.00 -1.70 -0.52 0.00 -0.77 0.00 0.00 57.85 54.86 2jhb n ARG 25 Cb 0.00 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 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 -3.86 0.52 -4.55 5.56 0.00 -1.26 -4.71 120.64 112.33 2jhb n GLU 26 Ca 0.14 0.12 -0.26 0.00 0.00 0.00 0.00 57.16 57.17 2jhb n GLU 26 Cb 0.51 -2.03 -0.10 0.00 0.00 0.00 0.00 31.44 29.82 2jhb n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb s GLU 28 N -3.81 4.08 0.21 0.00 2.56 -1.26 -0.45 118.70 120.03 2jhb s GLU 28 Ca 0.29 1.77 0.02 0.00 0.00 0.00 0.00 54.97 57.06 2jhb s GLU 28 Cb 0.07 -2.66 -0.05 0.00 2.00 0.00 0.00 34.13 33.50 2jhb s GLU 28 CO 0.14 -0.27 0.01 0.96 -0.56 0.00 0.00 175.26 175.54 2jhb s ILE 29 N -1.46 0.82 -0.03 -3.70 -4.36 0.29 -0.99 121.20 111.77 2jhb s ILE 29 Ca 0.57 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.95 2jhb s ILE 29 Cb -0.29 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.15 2jhb s ILE 29 CO 0.36 -0.33 0.03 -0.75 0.24 0.00 0.00 174.94 174.49 2jhb s LYS 30 N -3.91 0.08 0.28 0.37 2.47 0.41 -1.16 119.74 118.28 2jhb s LYS 30 Ca 0.28 0.20 -0.30 0.00 -1.56 0.00 0.00 55.97 54.60 2jhb s LYS 30 Cb 0.06 -0.43 -0.10 0.00 -1.46 0.00 0.00 37.83 35.90 2jhb s LYS 30 CO 0.08 -0.21 1.43 -0.47 0.16 0.00 0.00 175.35 176.33 2jhb s TYR 31 N 1.41 2.97 0.00 4.03 6.14 0.52 0.39 117.35 132.81 2jhb s TYR 31 Ca -0.05 1.10 0.00 0.00 0.64 0.00 0.00 57.07 58.77 2jhb s TYR 31 Cb -0.13 -3.82 0.00 0.00 0.42 0.00 0.00 41.96 38.43 2jhb s TYR 31 CO -0.03 -2.58 0.17 0.25 0.64 0.00 0.00 175.55 174.00 2jhb n THR 32 N 1.86 0.02 0.00 4.34 -2.24 -0.76 -4.82 114.28 112.69 2jhb n THR 32 Ca 0.05 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2jhb n THR 32 Cb 0.40 1.67 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 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 -0.01 0.10 0.30 3.38 0.00 -0.13 -4.56 105.19 104.26 2jhb n GLY 33 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 3.57 -1.96 -2.09 116.94 118.08 2jhb h PHE 34 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jhb h PHE 34 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2jhb h PHE 34 CO 0.00 0.00 0.00 2.89 -2.23 0.00 0.00 178.31 178.97 2jhb n ARG 35 N -4.40 0.08 -0.33 1.11 -4.01 -1.26 -1.10 116.66 106.74 2jhb n ARG 35 Ca 0.00 0.09 0.25 0.00 -1.04 0.00 0.00 57.85 57.15 2jhb n ARG 35 Cb 0.22 -1.50 0.54 0.00 -3.04 0.00 0.00 32.46 28.68 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 0.40 -3.91 2.89 1.82 -1.62 -3.42 116.42 112.59 2jhb h ASP 36 Ca 0.00 0.08 -0.51 0.00 -0.39 0.00 0.00 57.03 56.22 2jhb h ASP 36 Cb 0.01 0.02 0.04 0.00 0.68 0.00 0.00 39.33 40.08 2jhb h ASP 36 CO 0.00 0.06 0.51 -0.13 -1.61 0.00 0.00 179.24 178.06 2jhb s ARG 37 N -5.43 4.23 0.72 0.28 0.52 -0.26 -4.96 118.95 114.04 2jhb s ARG 37 Ca -0.08 1.85 -0.15 0.00 -0.52 0.00 0.00 55.73 56.83 2jhb s ARG 37 Cb 0.25 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.93 2jhb s ARG 37 CO 0.80 -0.17 1.17 -1.25 0.02 0.00 0.00 175.30 175.87 2jhb s PRO 38 N -2.07 2.29 0.27 3.54 0.04 -1.26 -4.93 135.00 132.87 2jhb s PRO 38 Ca 0.53 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.89 2jhb s PRO 38 Cb -0.31 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 2jhb s PRO 38 CO 0.40 -1.69 1.64 -1.01 0.04 0.00 0.00 177.00 176.38 2jhb s HIS 39 N -2.14 2.79 0.04 0.56 3.76 -1.26 -4.59 115.29 114.45 2jhb s HIS 39 Ca 0.71 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 56.26 2jhb s HIS 39 Cb -0.26 -4.10 0.00 0.00 1.11 0.00 0.00 32.58 29.33 2jhb s HIS 39 CO 0.45 -3.85 0.00 -1.91 -0.85 0.00 0.00 174.74 168.58 2jhb n GLU 40 N 2.74 0.00 -2.74 1.40 0.00 -1.26 -5.01 120.64 115.76 2jhb n GLU 40 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.19 2jhb n GLU 40 Cb 0.37 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.86 2jhb n GLU 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2jhb n GLU 41 N -2.27 0.78 -0.00 5.31 4.07 -1.26 -5.04 120.64 122.23 2jhb n GLU 41 Ca 0.00 -1.70 0.06 0.00 -0.06 0.00 0.00 57.16 55.45 2jhb n GLU 41 Cb 0.00 -1.36 -0.08 0.00 -0.06 0.00 0.00 31.44 29.94 2jhb n GLU 41 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2jhb n ARG 42 N 1.49 1.38 0.01 5.31 5.12 -1.26 -4.45 116.66 124.26 2jhb n ARG 42 Ca 0.08 -0.07 -0.19 0.00 -1.93 0.00 0.00 57.85 55.74 2jhb n ARG 42 Cb 0.64 -1.18 -0.14 0.00 -1.16 0.00 0.00 32.46 30.62 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 0.21 -0.15 5.56 7.50 -1.96 0.06 115.11 126.33 2jhb h GLN 43 Ca 0.00 -0.37 -0.02 0.00 0.50 0.00 0.00 58.65 58.76 2jhb h GLN 43 Cb 0.43 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.09 2jhb h GLN 43 CO 0.00 1.17 0.02 1.15 -1.50 0.00 0.00 178.83 179.67 2jhb h THR 44 N -0.50 1.23 -0.42 -0.54 2.02 -1.99 -2.73 112.91 109.98 2jhb h THR 44 Ca -0.17 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.26 2jhb h THR 44 Cb 1.54 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 2jhb h THR 44 CO 0.08 0.23 0.28 -0.09 0.37 0.00 0.00 175.52 176.38 2jhb h ARG 45 N 0.03 0.51 0.01 6.66 9.65 -1.78 -2.27 114.38 127.19 2jhb h ARG 45 Ca 0.05 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.92 2jhb h ARG 45 Cb 0.33 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 2jhb h ARG 45 CO 0.00 0.34 -0.13 0.35 2.80 0.00 0.00 179.97 183.33 2jhb h PHE 46 N 0.52 -0.33 -0.24 2.20 3.57 -0.70 0.43 116.94 122.40 2jhb h PHE 46 Ca 0.16 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2jhb h PHE 46 Cb 0.01 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2jhb h PHE 46 CO -0.00 -0.19 0.06 1.96 -2.23 0.00 0.00 178.31 177.91 2jhb h GLN 47 N -0.22 0.33 0.14 1.11 4.20 -1.14 -1.43 115.11 118.11 2jhb h GLN 47 Ca 0.04 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 2jhb h GLN 47 Cb 0.27 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.00 2jhb h GLN 47 CO -0.12 0.31 -1.33 -0.91 -0.67 0.00 0.00 178.83 176.11 2jhb h ASN 48 N 0.33 0.47 -0.05 1.46 2.35 -0.80 -2.93 115.58 116.43 2jhb h ASN 48 Ca 0.08 -0.53 -0.10 0.00 -0.55 0.00 0.00 56.30 55.21 2jhb h ASN 48 Cb 0.13 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2jhb h ASN 48 CO -0.00 1.42 -0.26 0.00 -1.65 0.00 0.00 177.43 176.94 2jhb h ALA 49 N 0.51 1.10 0.00 -0.83 0.00 -0.04 0.14 119.26 120.13 2jhb h ALA 49 Ca -0.17 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jhb h ALA 49 Cb 2.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2jhb h ALA 49 CO 0.21 0.56 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2jhb n ARG 51 N -2.65 0.24 0.27 0.00 0.63 0.21 -4.16 116.66 111.20 2jhb n ARG 51 Ca -0.00 -0.07 0.11 0.00 -0.92 0.00 0.00 57.85 56.97 2jhb n ARG 51 Cb 0.18 -1.51 0.72 0.00 0.45 0.00 0.00 32.46 32.30 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 3.58 -0.67 0.14 116.42 125.62 2jhb h ASP 52 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jhb h ASP 52 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2jhb h ASP 52 CO 0.00 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 2jhb n GLY 53 N -1.28 -0.13 3.59 -0.78 0.00 -1.26 -1.01 105.19 104.33 2jhb n GLY 53 Ca -0.03 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.14 -1.21 1.61 -4.01 -1.26 -4.16 116.66 106.49 2jhb n ARG 54 Ca 0.00 -0.28 0.00 0.00 -1.04 0.00 0.00 57.85 56.53 2jhb n ARG 54 Cb 0.00 -2.28 0.00 0.00 -3.04 0.00 0.00 32.46 27.14 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 -4.34 0.00 -3.68 2.89 2.88 0.93 -4.77 113.62 107.53 2jhb n SER 55 Ca 0.09 -0.71 -0.17 0.00 -1.33 0.00 0.00 58.87 56.74 2jhb n SER 55 Cb 0.53 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.83 2jhb n SER 55 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jhb s GLU 56 N -1.14 0.02 0.22 -1.46 2.12 -1.26 -1.52 118.70 115.67 2jhb s GLU 56 Ca 0.00 0.50 0.02 0.00 0.36 0.00 0.00 54.97 55.85 2jhb s GLU 56 Cb 0.00 -0.30 -0.05 0.00 0.26 0.00 0.00 34.13 34.04 2jhb s GLU 56 CO 0.00 -0.29 0.02 0.42 -0.54 0.00 0.00 175.26 174.87 2jhb s ILE 57 N 2.12 0.80 0.17 -3.70 1.01 -0.71 -0.96 121.20 119.93 2jhb s ILE 57 Ca 0.02 -2.01 0.02 0.00 0.00 0.00 0.00 60.65 58.68 2jhb s ILE 57 Cb -0.12 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2jhb s ILE 57 CO -0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 174.94 174.58 2jhb s ALA 58 N -3.58 1.32 0.71 9.38 0.00 0.16 -0.14 121.76 129.62 2jhb s ALA 58 Ca 0.29 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 2jhb s ALA 58 Cb 0.06 0.53 0.08 0.00 0.00 0.00 0.00 23.12 23.80 2jhb s ALA 58 CO 0.08 -0.32 1.00 -0.06 0.00 0.00 0.00 175.76 176.46 2jhb s PHE 59 N -3.66 2.55 -0.01 0.00 0.40 0.15 -0.45 117.98 116.96 2jhb s PHE 59 Ca 0.23 0.23 -0.00 0.00 -0.60 0.00 0.00 56.93 56.79 2jhb s PHE 59 Cb 0.06 -3.18 -0.00 0.00 0.51 0.00 0.00 43.02 40.41 2jhb s PHE 59 CO 0.03 -1.49 -0.01 0.28 0.70 0.00 0.00 175.22 174.73 2jhb n VAL 60 N -2.89 0.05 -0.20 -0.44 0.31 -0.16 -3.99 118.33 111.00 2jhb n VAL 60 Ca 0.10 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2jhb n VAL 60 Cb 0.60 -0.86 0.08 0.00 -0.91 0.00 0.00 33.84 32.75 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 -0.01 0.49 0.00 3.52 0.00 -1.91 -3.09 119.26 118.26 2jhb h ALA 61 Ca -0.02 0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2jhb h ALA 61 Cb 1.03 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2jhb h ALA 61 CO -0.01 -0.42 -1.54 2.41 0.00 0.00 0.00 179.25 179.69 2jhb n THR 62 N -5.35 0.54 -1.06 0.00 -1.04 -1.26 -5.11 114.28 101.01 2jhb n THR 62 Ca 0.08 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2jhb n THR 62 Cb 0.33 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 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 2.63 -0.32 3.15 3.41 0.00 -1.17 -5.08 105.19 107.81 2jhb n GLY 63 Ca -0.14 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.69 2.52 0.29 2.61 2.01 -1.26 -4.92 115.64 116.20 2jhb s THR 64 Ca 0.00 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 2jhb s THR 64 Cb 0.00 -2.26 -0.11 0.00 0.01 0.00 0.00 72.50 70.13 2jhb s THR 64 CO 0.00 0.25 1.61 0.21 -0.69 0.00 0.00 174.62 175.99 2jhb s ASN 65 N 1.27 6.36 -0.07 3.53 3.84 -1.26 -0.67 114.94 127.94 2jhb s ASN 65 Ca -0.00 2.95 -0.03 0.00 0.21 0.00 0.00 52.86 55.99 2jhb s ASN 65 Cb -0.16 -2.63 0.04 0.00 -0.55 0.00 0.00 41.25 37.94 2jhb s ASN 65 CO -0.07 -0.92 0.14 -1.48 -2.79 0.00 0.00 177.10 171.98 2jhb s LEU 66 N -0.39 0.65 -0.46 3.21 -0.00 0.81 -4.94 118.68 117.56 2jhb s LEU 66 Ca 0.64 0.29 -0.29 0.00 -0.00 0.00 0.00 54.13 54.77 2jhb s LEU 66 Cb -0.48 0.33 0.03 0.00 -0.00 0.00 0.00 46.19 46.07 2jhb s LEU 66 CO 0.47 -0.16 1.14 -0.44 -0.00 0.00 0.00 176.35 177.36 2jhb s SER 67 N 1.28 6.65 -0.11 1.48 0.01 -1.26 -1.75 113.70 120.01 2jhb s SER 67 Ca -0.08 0.53 -0.29 0.00 1.31 0.00 0.00 55.95 57.41 2jhb s SER 67 Cb -0.12 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 2jhb s SER 67 CO -0.06 -1.23 0.99 -0.76 0.41 0.00 0.00 173.24 172.60 2jhb s LEU 68 N 4.41 4.24 -0.31 2.44 1.43 -0.57 -4.93 118.68 125.39 2jhb s LEU 68 Ca 0.48 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 2jhb s LEU 68 Cb -0.08 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.71 2jhb s LEU 68 CO 0.30 -0.44 0.02 -1.10 0.23 0.00 0.00 176.35 175.37 2jhb s GLN 69 N 2.02 1.47 -1.36 1.70 -0.21 -1.26 -0.05 119.66 121.97 2jhb s GLN 69 Ca 0.47 -1.56 -0.09 0.00 0.02 0.00 0.00 55.36 54.21 2jhb s GLN 69 Cb -0.18 -2.88 0.11 0.00 1.00 0.00 0.00 33.01 31.06 2jhb s GLN 69 CO 0.17 -0.86 2.20 1.19 -2.12 0.00 0.00 175.29 175.88 2jhb n PHE 70 N 4.43 2.85 -3.64 0.91 3.72 -1.26 -4.52 117.46 119.95 2jhb n PHE 70 Ca -0.01 -2.86 -0.38 0.00 -0.05 0.00 0.00 57.45 54.15 2jhb n PHE 70 Cb 0.42 -2.06 -0.08 0.00 -0.94 0.00 0.00 39.48 36.82 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2jhb s PHE 71 N 0.52 3.59 0.90 1.38 -0.12 -1.26 -4.84 117.98 118.16 2jhb s PHE 71 Ca 0.48 -2.71 -0.13 0.00 -0.05 0.00 0.00 56.93 54.52 2jhb s PHE 71 Cb 0.14 -3.30 0.14 0.00 -0.63 0.00 0.00 43.02 39.36 2jhb s PHE 71 CO -0.05 -0.83 1.17 -1.25 -0.05 0.00 0.00 175.22 174.21 2jhb s PRO 72 N -0.41 1.20 -0.02 1.99 0.04 -1.26 -4.78 135.00 131.77 2jhb s PRO 72 Ca 0.20 0.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.34 2jhb s PRO 72 Cb -0.15 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2jhb s PRO 72 CO -0.06 -2.12 2.69 0.00 0.04 0.00 0.00 177.00 177.54 2jhb n ALA 73 N -3.68 5.05 -2.77 8.56 0.00 -1.26 -3.89 120.51 122.52 2jhb n ALA 73 Ca 0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 53.44 52.62 2jhb n ALA 73 Cb 0.60 -1.57 0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 1.87 -3.26 -4.15 0.00 2.88 -1.26 -5.17 113.62 104.53 2jhb n SER 74 Ca 0.19 -3.01 -0.12 0.00 -1.33 0.00 0.00 58.87 54.60 2jhb n SER 74 Cb 0.68 1.73 -0.10 0.00 -0.75 0.00 0.00 64.21 65.77 2jhb n SER 74 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2jhb s TRP 75 N 0.80 1.19 0.00 0.66 1.48 -1.25 -5.05 118.94 116.77 2jhb s TRP 75 Ca 0.31 -1.40 0.00 0.00 -1.06 0.00 0.00 56.10 53.95 2jhb s TRP 75 Cb 0.06 -0.57 0.00 0.00 -1.16 0.00 0.00 33.47 31.80 2jhb s TRP 75 CO -0.10 -0.65 0.00 0.00 -4.06 0.00 0.00 176.95 172.13 2jhb n GLN 76 N -0.29 4.21 0.00 3.25 -0.00 -1.26 -5.11 117.38 118.19 2jhb n GLN 76 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.02 2jhb n GLN 76 Cb 0.66 -0.65 0.00 0.00 -0.00 0.00 0.00 30.24 30.25 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 0.74 -1.39 3.34 2.61 0.00 -1.26 -5.14 105.19 104.09 2jhb n GLY 77 Ca 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 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 1.58 -0.38 1.61 2.02 -1.26 -4.90 118.70 117.37 2jhb s GLU 78 Ca 0.00 -1.90 -0.09 0.00 0.02 0.00 0.00 54.97 53.00 2jhb s GLU 78 Cb 0.00 -0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.11 2jhb s GLU 78 CO 0.00 -0.43 0.36 0.94 0.02 0.00 0.00 175.26 176.15 2jhb n GLN 79 N -0.58 -0.96 -1.63 1.61 0.00 -0.18 -4.72 117.38 110.93 2jhb n GLN 79 Ca 0.01 0.58 -0.47 0.00 -0.00 0.00 0.00 57.00 57.11 2jhb n GLN 79 Cb 0.65 -1.20 -0.04 0.00 0.00 0.00 0.00 30.24 29.66 2jhb n GLN 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2jhb n ARG 80 N -1.05 1.64 0.10 3.69 0.63 0.50 -4.92 116.66 117.25 2jhb n ARG 80 Ca -0.13 0.59 -0.04 0.00 -0.92 0.00 0.00 57.85 57.34 2jhb n ARG 80 Cb 0.39 -2.20 -0.02 0.00 0.45 0.00 0.00 32.46 31.08 2jhb n ARG 80 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2jhb h GLN 81 N 4.15 -0.27 -2.69 -0.14 4.15 -1.88 -3.43 115.11 115.00 2jhb h GLN 81 Ca -0.45 0.02 -0.60 0.00 0.77 0.00 0.00 58.65 58.40 2jhb h GLN 81 Cb 1.30 0.06 -0.39 0.00 0.21 0.00 0.00 27.48 28.66 2jhb h GLN 81 CO 0.75 -0.18 -0.82 0.99 -1.93 0.00 0.00 178.83 177.64 2jhb s THR 82 N -2.64 0.82 1.06 2.39 2.01 -1.26 -5.12 115.64 112.89 2jhb s THR 82 Ca -0.04 -2.44 -0.12 0.00 0.31 0.00 0.00 61.69 59.41 2jhb s THR 82 Cb 0.00 -1.57 0.23 0.00 0.01 0.00 0.00 72.50 71.17 2jhb s THR 82 CO 0.12 -1.03 1.08 -2.16 -0.69 0.00 0.00 174.62 171.95 2jhb s PRO 83 N 0.37 -0.11 0.79 4.92 0.05 -1.26 -5.04 135.00 134.72 2jhb s PRO 83 Ca 0.22 1.17 -0.11 0.00 0.05 0.00 0.00 61.00 62.33 2jhb s PRO 83 Cb -0.15 -1.62 0.07 0.00 0.05 0.00 0.00 34.50 32.84 2jhb s PRO 83 CO -0.06 -3.28 1.09 -1.12 0.05 0.00 0.00 177.00 173.68 2jhb s SER 84 N -2.56 4.51 0.06 6.66 0.01 -1.26 -4.79 113.70 116.33 2jhb s SER 84 Ca 0.68 1.42 -0.29 0.00 1.31 0.00 0.00 55.95 59.07 2jhb s SER 84 Cb -0.24 -2.17 -0.17 0.00 0.21 0.00 0.00 66.02 63.64 2jhb s SER 84 CO 0.62 -1.97 1.54 0.03 0.41 0.00 0.00 173.24 173.86 2jhb h ARG 85 N -1.09 -0.57 -0.59 12.44 3.08 -1.77 0.18 114.38 126.06 2jhb h ARG 85 Ca -0.47 0.04 0.15 0.00 0.07 0.00 0.00 59.98 59.77 2jhb h ARG 85 Cb 1.26 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 2jhb h ARG 85 CO 0.58 -0.33 0.41 1.49 -1.07 0.00 0.00 179.97 181.05 2jhb h GLU 86 N -0.69 0.12 0.00 0.04 4.57 -1.90 -3.14 114.58 113.58 2jhb h GLU 86 Ca -0.06 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2jhb h GLU 86 Cb 0.50 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2jhb h GLU 86 CO 0.10 0.08 0.00 0.98 -1.18 0.00 0.00 179.01 178.99 2jhb n TYR 87 N -4.41 0.00 -3.68 0.92 4.19 -0.72 -1.97 117.16 111.49 2jhb n TYR 87 Ca 0.11 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.18 2jhb n TYR 87 Cb 0.58 -0.35 -0.08 0.00 0.49 0.00 0.00 39.34 39.97 2jhb n TYR 87 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jhb s VAL 88 N -1.37 0.01 0.04 2.97 1.01 -0.03 -1.78 120.40 121.24 2jhb s VAL 88 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2jhb s VAL 88 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.62 2jhb s VAL 88 CO 0.00 -0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.39 2jhb n ASP 89 N 2.34 -6.21 -1.09 3.32 2.03 -1.26 -4.35 116.55 111.33 2jhb n ASP 89 Ca -0.15 0.99 -0.03 0.00 0.52 0.00 0.00 54.79 56.12 2jhb n ASP 89 Cb 0.56 -3.36 -0.03 0.00 -0.72 0.00 0.00 41.12 37.56 2jhb n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jhb n LEU 90 N 1.04 -0.27 0.00 -2.67 -0.00 -1.26 -4.42 117.00 109.42 2jhb n LEU 90 Ca 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 56.01 54.13 2jhb n LEU 90 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2jhb n LEU 90 CO 0.00 1.11 0.00 1.21 -0.00 0.00 0.00 177.39 179.71 2jhb n GLU 91 N 0.15 0.00 0.00 1.47 2.13 -1.26 -4.54 120.64 118.59 2jhb n GLU 91 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 2jhb n GLU 91 Cb 0.82 -2.93 0.00 0.00 0.27 0.00 0.00 31.44 29.60 2jhb n GLU 91 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jhb n ARG 92 N -1.64 0.00 -1.56 5.31 0.63 -1.26 -5.15 116.66 112.98 2jhb n ARG 92 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 2jhb n ARG 92 Cb 0.00 0.00 0.08 0.00 0.45 0.00 0.00 32.46 32.99 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2jhb n GLU 93 N 1.63 0.02 -1.80 -0.14 4.07 -1.11 -4.93 120.64 118.37 2jhb n GLU 93 Ca 0.00 -1.43 -0.20 0.00 -0.06 0.00 0.00 57.16 55.47 2jhb n GLU 93 Cb 0.00 -0.45 -0.06 0.00 -0.06 0.00 0.00 31.44 30.87 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 -3.20 1.15 0.00 4.31 0.00 -1.26 -3.81 121.76 118.95 2jhb s ALA 94 Ca 0.38 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2jhb s ALA 94 Cb -0.02 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2jhb s ALA 94 CO 0.25 -5.44 0.00 0.41 0.00 0.00 0.00 175.76 170.98 2jhb n GLY 95 N 6.78 0.00 3.54 0.00 0.00 -1.26 -4.88 105.19 109.36 2jhb n GLY 95 Ca 0.44 0.00 -0.25 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 -0.48 1.81 0.17 1.61 0.00 -1.25 -1.04 119.74 120.56 2jhb s LYS 96 Ca 0.00 -2.00 0.10 0.00 0.00 0.00 0.00 55.97 54.07 2jhb s LYS 96 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 37.83 36.46 2jhb s LYS 96 CO 0.00 -0.08 -0.16 0.54 0.00 0.00 0.00 175.35 175.65 2jhb s VAL 97 N -2.94 2.84 0.04 1.79 0.11 -0.18 -2.75 120.40 119.31 2jhb s VAL 97 Ca 0.35 -1.73 -0.01 0.00 -2.93 0.00 0.00 61.98 57.65 2jhb s VAL 97 Cb 0.09 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 2jhb s VAL 97 CO 0.17 -0.06 0.21 -0.31 -3.33 0.00 0.00 175.10 171.78 2jhb s TYR 98 N -1.54 3.53 0.04 1.54 1.51 -1.26 -1.03 117.35 120.13 2jhb s TYR 98 Ca 0.22 0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 56.53 2jhb s TYR 98 Cb -0.09 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 2jhb s TYR 98 CO 0.12 0.60 0.11 -0.51 -1.11 0.00 0.00 175.55 174.77 2jhb s LEU 99 N -2.29 1.73 -0.28 -1.29 1.43 0.05 -4.58 118.68 113.45 2jhb s LEU 99 Ca 0.32 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2jhb s LEU 99 Cb -0.13 0.65 0.12 0.00 0.03 0.00 0.00 46.19 46.86 2jhb s LEU 99 CO 0.24 -0.50 0.95 -0.75 0.23 0.00 0.00 176.35 176.52 2jhb s LYS 100 N -2.50 0.53 -0.12 1.70 2.20 -0.74 -1.20 119.74 119.62 2jhb s LYS 100 Ca -0.06 0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 56.16 2jhb s LYS 100 Cb -0.02 0.21 0.04 0.00 -1.51 0.00 0.00 37.83 36.55 2jhb s LYS 100 CO -0.04 -0.08 0.33 0.00 -0.36 0.00 0.00 175.35 175.20 2jhb s ALA 101 N 0.64 -0.81 0.03 3.13 0.00 -0.12 -4.49 121.76 120.15 2jhb s ALA 101 Ca -0.01 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 2jhb s ALA 101 Cb -0.05 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 2jhb s ALA 101 CO -0.09 -0.17 1.43 -1.25 0.00 0.00 0.00 175.76 175.68 2jhb s PRO 102 N 0.38 4.28 0.15 0.00 0.04 -1.26 -0.52 135.00 138.07 2jhb s PRO 102 Ca -0.02 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2jhb s PRO 102 Cb -0.04 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 2jhb s PRO 102 CO -0.01 -0.57 0.31 -1.64 0.04 0.00 0.00 177.00 175.13 2jhb s MET 103 N 2.21 3.47 -0.53 4.56 -1.94 0.22 -4.59 119.30 122.71 2jhb s MET 103 Ca 0.65 -0.47 0.06 0.00 -1.71 0.00 0.00 55.69 54.22 2jhb s MET 103 Cb -0.33 -2.93 0.20 0.00 2.01 0.00 0.00 34.83 33.78 2jhb s MET 103 CO 0.28 0.49 0.51 -0.89 -0.01 0.00 0.00 175.02 175.40 2jhb n ILE 104 N -0.45 0.41 -3.04 2.53 5.41 -1.25 -2.06 119.36 120.90 2jhb n ILE 104 Ca -0.06 -4.32 -0.41 0.00 1.00 0.00 0.00 62.75 58.96 2jhb n ILE 104 Cb 0.53 -1.96 -0.06 0.00 -0.71 0.00 0.00 39.64 37.45 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 -1.16 4.13 0.00 1.39 2.01 -1.09 -4.34 118.68 119.61 2jhb s LEU 105 Ca 0.33 0.50 0.00 0.00 0.01 0.00 0.00 54.13 54.97 2jhb s LEU 105 Cb 0.07 -2.93 0.00 0.00 0.01 0.00 0.00 46.19 43.34 2jhb s LEU 105 CO -0.13 -0.55 0.00 -3.20 1.01 0.00 0.00 176.35 173.47 2jhb n ASN 106 N 6.05 0.00 0.00 2.29 2.85 -1.26 -1.40 115.26 123.79 2jhb n ASN 106 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 2jhb n ASN 106 Cb 0.48 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.88 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 -1.96 1.41 3.49 8.20 0.00 -1.26 -4.49 105.19 110.59 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 5.27 -0.98 1.61 1.01 -0.49 -1.92 120.40 122.90 2jhb s VAL 108 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 2jhb s VAL 108 Cb 0.00 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2jhb s VAL 108 CO 0.00 -0.17 1.75 0.00 0.00 0.00 0.00 175.10 176.68 2jhb s VAL 110 N 7.96 4.09 -0.21 0.00 -7.23 -0.87 -1.72 120.40 122.41 2jhb s VAL 110 Ca 0.60 -0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.42 2jhb s VAL 110 Cb -0.03 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 33.33 2jhb s VAL 110 CO -0.03 -0.44 0.05 -0.63 -0.31 0.00 0.00 175.10 173.74 2jhb s ILE 111 N -2.67 4.42 -0.02 -0.62 1.01 0.68 -0.61 121.20 123.39 2jhb s ILE 111 Ca 0.49 -0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.71 2jhb s ILE 111 Cb -0.10 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2jhb s ILE 111 CO 0.40 0.40 0.91 0.86 0.00 0.00 0.00 174.94 177.52 2jhb s TRP 112 N 1.01 3.64 0.22 3.97 -0.00 0.33 -0.63 118.94 127.46 2jhb s TRP 112 Ca 0.03 1.59 0.03 0.00 -0.00 0.00 0.00 56.10 57.75 2jhb s TRP 112 Cb -0.14 -3.05 -0.05 0.00 -0.00 0.00 0.00 33.47 30.23 2jhb s TRP 112 CO 0.03 0.01 0.01 -1.59 -0.00 0.00 0.00 176.95 175.40 2jhb s LYS 113 N 0.99 1.28 0.00 5.86 -2.85 -0.56 -0.94 119.74 123.52 2jhb s LYS 113 Ca 0.48 -1.64 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 2jhb s LYS 113 Cb -0.20 -0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.09 2jhb s LYS 113 CO 0.25 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.99 2jhb n GLY 114 N -0.37 -1.51 2.97 0.59 0.00 -0.34 -1.04 105.19 105.48 2jhb n GLY 114 Ca -0.05 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 2jhb n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jhb s TRP 115 N -2.50 1.40 -0.35 1.61 -2.14 0.84 -0.77 118.94 117.04 2jhb s TRP 115 Ca 0.00 -0.58 -0.16 0.00 2.66 0.00 0.00 56.10 58.02 2jhb s TRP 115 Cb 0.00 -1.09 -0.01 0.00 -3.10 0.00 0.00 33.47 29.27 2jhb s TRP 115 CO 0.00 -0.36 0.39 0.42 -2.66 0.00 0.00 176.95 174.74 2jhb s ILE 116 N 1.09 5.14 0.16 0.66 -1.09 -0.20 -0.93 121.20 126.03 2jhb s ILE 116 Ca -0.07 0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 2jhb s ILE 116 Cb -0.14 -3.86 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 2jhb s ILE 116 CO -0.01 -0.13 1.25 -0.62 -1.23 0.00 0.00 174.94 174.20 2jhb s ASP 117 N 1.74 7.00 0.00 3.58 -1.08 0.12 -1.00 116.67 127.03 2jhb s ASP 117 Ca 0.13 2.25 0.17 0.00 -0.52 0.00 0.00 52.55 54.58 2jhb s ASP 117 Cb -0.16 -2.60 1.01 0.00 -1.46 0.00 0.00 42.92 39.71 2jhb s ASP 117 CO 0.12 -0.47 1.46 0.18 0.52 0.00 0.00 175.17 176.98 2jhb n LEU 118 N 2.98 0.00 0.40 -1.34 4.77 -0.20 -1.52 117.00 122.08 2jhb n LEU 118 Ca 0.07 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 2jhb n LEU 118 Cb 0.44 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2jhb n LEU 118 CO 0.57 -0.02 0.45 1.12 -1.33 0.00 0.00 177.39 178.18 2jhb h HIS 119 N 0.00 -0.95 0.00 -1.77 2.07 -1.90 -3.39 115.15 109.20 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 0.03 0.32 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2jhb h HIS 119 CO 0.00 -0.58 0.00 0.54 -3.07 0.00 0.00 177.93 174.82 2jhb n ARG 120 N -5.47 -0.44 -3.28 5.12 5.12 -1.25 -4.98 116.66 111.48 2jhb n ARG 120 Ca -0.13 -0.38 -0.17 0.00 -1.93 0.00 0.00 57.85 55.24 2jhb n ARG 120 Cb 0.41 -0.82 0.07 0.00 -1.16 0.00 0.00 32.46 30.97 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 -0.02 -3.50 0.00 0.55 7.99 -0.57 -4.89 117.00 116.56 2jhb n LEU 121 Ca 0.00 -0.49 -0.16 0.00 -0.01 0.00 0.00 56.01 55.35 2jhb n LEU 121 Cb 0.11 -2.67 0.04 0.00 -0.11 0.00 0.00 43.42 40.80 2jhb n LEU 121 CO 0.00 0.41 0.24 0.47 -1.51 0.00 0.00 177.39 177.00 2jhb n ASP 122 N -2.58 1.75 0.00 -1.43 9.92 -1.22 -0.36 116.55 122.63 2jhb n ASP 122 Ca -0.14 -2.22 0.00 0.00 -0.53 0.00 0.00 54.79 51.89 2jhb n ASP 122 Cb 0.61 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 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 -0.33 -0.31 3.22 0.44 0.00 -0.31 0.12 105.19 108.02 2jhb n GLY 123 Ca 0.10 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 1.78 0.25 1.61 -1.94 -0.10 -0.55 119.30 118.35 2jhb s MET 124 Ca 0.00 -0.75 -0.20 0.00 -1.71 0.00 0.00 55.69 53.03 2jhb s MET 124 Cb 0.00 -1.68 0.07 0.00 2.01 0.00 0.00 34.83 35.23 2jhb s MET 124 CO 0.00 0.42 0.95 0.20 -0.01 0.00 0.00 175.02 176.58 2jhb s GLY 125 N -0.41 0.18 -0.01 -0.03 0.00 0.40 -0.11 107.32 107.35 2jhb s GLY 125 Ca 0.06 -0.46 -0.24 0.00 0.00 0.00 0.00 44.72 44.08 2jhb s GLY 125 CO -0.00 1.38 1.08 0.00 0.00 0.00 0.00 173.10 175.56 2jhb s LEU 127 N 0.00 2.23 0.31 0.00 1.43 -1.02 -1.49 118.68 120.14 2jhb s LEU 127 Ca 0.25 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2jhb s LEU 127 Cb -0.01 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 2jhb s LEU 127 CO -0.00 0.24 0.15 -1.83 0.23 0.00 0.00 176.35 175.14 2jhb s GLU 128 N -1.40 1.60 0.80 1.70 -1.05 0.20 -4.66 118.70 115.88 2jhb s GLU 128 Ca 0.12 -1.91 -0.12 0.00 -0.15 0.00 0.00 54.97 52.92 2jhb s GLU 128 Cb -0.10 -0.16 0.07 0.00 -0.44 0.00 0.00 34.13 33.50 2jhb s GLU 128 CO 0.03 -0.43 1.11 0.12 0.95 0.00 0.00 175.26 177.04 2jhb s PHE 129 N -3.59 2.90 -0.39 4.83 5.36 -1.26 -0.23 117.98 125.59 2jhb s PHE 129 Ca 0.35 1.04 0.01 0.00 -0.96 0.00 0.00 56.93 57.37 2jhb s PHE 129 Cb 0.05 -3.19 0.13 0.00 -0.34 0.00 0.00 43.02 39.68 2jhb s PHE 129 CO 0.17 -1.73 0.22 0.34 -1.46 0.00 0.00 175.22 172.75 2jhb s ASP 130 N -4.09 3.37 0.30 6.13 -1.08 -0.70 -4.03 116.67 116.57 2jhb s ASP 130 Ca 0.61 -2.36 0.05 0.00 -0.52 0.00 0.00 52.55 50.33 2jhb s ASP 130 Cb -0.13 -0.74 0.75 0.00 -1.46 0.00 0.00 42.92 41.34 2jhb s ASP 130 CO 0.53 -0.30 1.72 -0.33 0.52 0.00 0.00 175.17 177.32 2jhb h GLU 131 N 6.96 0.51 0.17 4.34 5.08 -1.98 -0.52 114.58 129.15 2jhb h GLU 131 Ca 0.01 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 2jhb h GLU 131 Cb 0.95 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.09 2jhb h GLU 131 CO 0.39 0.34 -1.64 1.49 -1.00 0.00 0.00 179.01 178.59 2jhb h GLU 132 N 0.53 0.37 -0.24 2.33 4.81 -1.95 -2.24 114.58 118.18 2jhb h GLU 132 Ca 0.57 -0.63 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 2jhb h GLU 132 Cb 1.03 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2jhb h GLU 132 CO -0.47 1.30 -0.32 -0.09 -0.73 0.00 0.00 179.01 178.69 2jhb h ARG 133 N -0.00 0.51 -0.04 1.92 9.65 -1.92 0.27 114.38 124.77 2jhb h ARG 133 Ca -0.33 -0.22 0.03 0.00 -1.10 0.00 0.00 59.98 58.35 2jhb h ARG 133 Cb 2.01 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.55 2jhb h ARG 133 CO 0.15 0.78 -0.12 0.00 2.80 0.00 0.00 179.97 183.58 2jhb h ALA 134 N 1.21 -0.11 0.00 2.80 0.00 -1.11 0.11 119.26 122.17 2jhb h ALA 134 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jhb h ALA 134 Cb 0.78 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jhb h ALA 134 CO 0.06 -0.60 -0.08 1.96 0.00 0.00 0.00 179.25 180.59 2jhb h GLN 135 N -0.19 0.00 -0.05 0.00 4.20 -1.12 -0.22 115.11 117.73 2jhb h GLN 135 Ca 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2jhb h GLN 135 Cb 0.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2jhb h GLN 135 CO -0.15 0.08 -0.06 1.96 -0.67 0.00 0.00 178.83 179.98 2jhb h GLN 136 N 0.00 0.13 0.00 1.46 7.50 -0.15 -3.25 115.11 120.80 2jhb h GLN 136 Ca -0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.04 2jhb h GLN 136 Cb 0.73 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.26 2jhb h GLN 136 CO 0.01 0.61 -0.18 1.49 -1.50 0.00 0.00 178.83 179.26 2jhb h GLU 137 N -0.35 0.00 -0.38 1.46 4.57 -0.27 -0.69 114.58 118.92 2jhb h GLU 137 Ca 0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2jhb h GLU 137 Cb 0.59 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2jhb h GLU 137 CO 0.01 0.18 0.20 -0.44 -1.18 0.00 0.00 179.01 177.78 2jhb h ASP 138 N 0.00 0.46 -0.27 1.04 3.32 -1.12 0.18 116.42 120.03 2jhb h ASP 138 Ca -0.00 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 2jhb h ASP 138 Cb 0.34 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jhb h ASP 138 CO 0.02 0.38 -0.39 0.00 -1.72 0.00 0.00 179.24 177.54 2jhb h ALA 139 N 1.70 0.41 0.00 3.45 0.00 -1.18 -3.27 119.26 120.36 2jhb h ALA 139 Ca 0.14 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2jhb h ALA 139 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jhb h ALA 139 CO -0.02 0.50 -0.17 -0.07 0.00 0.00 0.00 179.25 179.49 2jhb h LEU 140 N 0.47 0.00 -1.59 0.00 3.38 -0.62 -1.59 115.31 115.36 2jhb h LEU 140 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jhb h LEU 140 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2jhb h LEU 140 CO 0.09 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.79 2jhb n ALA 141 N -2.25 1.90 -3.15 1.53 0.00 0.52 -4.70 120.51 114.35 2jhb n ALA 141 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 2jhb n ALA 141 Cb 0.32 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 0.54 -2.01 0.00 0.00 3.00 -1.23 -4.61 117.38 113.07 2jhb n GLN 142 Ca 0.00 1.71 0.00 0.00 -0.01 0.00 0.00 57.00 58.70 2jhb n GLN 142 Cb 0.20 -4.40 0.00 0.00 0.00 0.00 0.00 30.24 26.04 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00