#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhb n SER 2 N 0.00 -0.50 -3.34 1.61 3.41 -1.26 -5.02 113.62 108.52 2jhb n SER 2 Ca 0.00 -0.16 -0.28 0.00 -0.26 0.00 0.00 58.87 58.18 2jhb n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2jhb n SER 2 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2jhb n MET 3 N -0.66 2.80 -1.81 4.33 0.00 -1.26 -5.10 117.12 115.42 2jhb n MET 3 Ca 0.00 -4.72 -0.31 0.00 -0.00 0.00 0.00 57.70 52.68 2jhb n MET 3 Cb 0.00 -2.27 0.03 0.00 0.00 0.00 0.00 33.22 30.98 2jhb n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2jhb s PRO 4 N -2.74 3.29 0.00 2.12 0.04 -1.26 -4.99 135.00 131.46 2jhb s PRO 4 Ca 0.42 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2jhb s PRO 4 Cb 0.18 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2jhb s PRO 4 CO -0.04 -0.79 0.00 0.54 0.04 0.00 0.00 177.00 176.75 2jhb n ARG 5 N -2.89 2.82 -4.04 4.56 5.12 -1.26 -5.04 116.66 115.93 2jhb n ARG 5 Ca 0.06 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.85 2jhb n ARG 5 Cb 0.55 -0.24 -0.13 0.00 -1.16 0.00 0.00 32.46 31.48 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 0.00 0.30 0.76 1.55 -7.23 -1.26 -4.40 120.40 110.12 2jhb s VAL 6 Ca 0.00 -0.47 -0.12 0.00 -1.81 0.00 0.00 61.98 59.58 2jhb s VAL 6 Cb 0.00 -0.32 0.05 0.00 0.56 0.00 0.00 36.38 36.67 2jhb s VAL 6 CO 0.00 -0.11 1.11 0.68 -0.31 0.00 0.00 175.10 176.47 2jhb s VAL 7 N -0.58 3.03 0.00 1.32 -7.23 0.15 -4.93 120.40 112.17 2jhb s VAL 7 Ca -0.04 0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 60.29 2jhb s VAL 7 Cb -0.05 -3.25 -0.10 0.00 0.56 0.00 0.00 36.38 33.55 2jhb s VAL 7 CO -0.00 -0.44 0.90 1.55 -0.31 0.00 0.00 175.10 176.80 2jhb h PRO 8 N -0.89 -0.62 -4.30 4.82 0.13 -1.99 -3.31 132.00 125.84 2jhb h PRO 8 Ca -0.46 0.04 -0.75 0.00 -0.87 0.00 0.00 66.00 63.96 2jhb h PRO 8 Cb 1.28 0.14 -0.22 0.00 0.13 0.00 0.00 31.00 32.32 2jhb h PRO 8 CO 0.63 -0.41 0.68 0.34 -0.23 0.00 0.00 178.00 179.00 2jhb s ASP 9 N -3.99 6.94 0.19 1.44 -1.08 -1.26 -4.89 116.67 114.02 2jhb s ASP 9 Ca -0.09 -2.82 -0.12 0.00 -0.52 0.00 0.00 52.55 49.00 2jhb s ASP 9 Cb 0.01 -2.31 0.19 0.00 -1.46 0.00 0.00 42.92 39.36 2jhb s ASP 9 CO 0.28 -0.67 1.75 1.56 0.52 0.00 0.00 175.17 178.61 2jhb h GLN 10 N 7.63 0.36 -0.53 4.34 4.20 -1.89 -2.07 115.11 127.14 2jhb h GLN 10 Ca 0.19 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2jhb h GLN 10 Cb 0.96 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 2jhb h GLN 10 CO 1.03 0.24 -0.01 -0.09 -0.67 0.00 0.00 178.83 179.32 2jhb h ARG 11 N 0.37 0.91 -0.46 1.46 9.65 -1.94 0.52 114.38 124.89 2jhb h ARG 11 Ca 0.25 -0.27 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 2jhb h ARG 11 Cb 0.28 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2jhb h ARG 11 CO -0.26 0.91 0.07 1.03 2.80 0.00 0.00 179.97 184.53 2jhb h SER 12 N 0.84 0.73 -0.62 -3.80 0.87 -1.96 -3.04 113.55 106.57 2jhb h SER 12 Ca 0.16 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 2jhb h SER 12 Cb 0.51 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2jhb h SER 12 CO 0.03 0.81 0.16 0.50 -0.53 0.00 0.00 176.83 177.79 2jhb h LYS 13 N 0.62 1.01 -0.94 2.24 1.63 -0.62 0.10 116.57 120.61 2jhb h LYS 13 Ca 0.14 -0.23 0.20 0.00 -0.85 0.00 0.00 60.65 59.92 2jhb h LYS 13 Cb 0.39 -0.14 -0.11 0.00 -0.60 0.00 0.00 32.23 31.76 2jhb h LYS 13 CO 0.01 0.90 0.51 0.35 -3.45 0.00 0.00 179.45 177.77 2jhb h PHE 14 N 0.97 0.88 0.20 1.91 3.57 -0.87 0.03 116.94 123.62 2jhb h PHE 14 Ca 0.21 0.04 -0.26 0.00 3.53 0.00 0.00 57.97 61.49 2jhb h PHE 14 Cb 0.34 -0.24 0.03 0.00 2.79 0.00 0.00 35.95 38.86 2jhb h PHE 14 CO 0.02 0.10 -1.13 1.05 -2.23 0.00 0.00 178.31 176.13 2jhb h GLU 15 N 0.59 0.42 0.08 1.11 -0.00 -1.33 -3.42 114.58 112.02 2jhb h GLU 15 Ca 0.57 -0.71 -0.11 0.00 -0.00 0.00 0.00 59.36 59.11 2jhb h GLU 15 Cb 0.98 0.26 0.01 0.00 -0.00 0.00 0.00 28.75 30.01 2jhb h GLU 15 CO -0.44 1.34 -0.47 -0.91 -0.00 0.00 0.00 179.01 178.53 2jhb h ASN 16 N -0.12 0.28 -1.62 3.06 2.35 0.31 -3.45 115.58 116.39 2jhb h ASN 16 Ca -0.20 -0.95 -0.66 0.00 -0.55 0.00 0.00 56.30 53.94 2jhb h ASN 16 Cb 1.89 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 40.17 2jhb h ASN 16 CO 0.21 1.21 1.20 -0.62 -1.65 0.00 0.00 177.43 177.78 2jhb n GLU 17 N -4.33 1.60 0.30 0.81 -0.58 -0.11 -4.84 120.64 113.48 2jhb n GLU 17 Ca -0.12 0.54 0.18 0.00 -0.42 0.00 0.00 57.16 57.33 2jhb n GLU 17 Cb 0.67 -2.52 0.90 0.00 -0.57 0.00 0.00 31.44 29.92 2jhb n GLU 17 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2jhb h GLU 18 N 10.33 0.00 -0.38 3.49 4.22 -1.90 0.60 114.58 130.93 2jhb h GLU 18 Ca -0.40 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.09 2jhb h GLU 18 Cb 1.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 2jhb h GLU 18 CO 0.98 0.04 0.07 0.35 -2.18 0.00 0.00 179.01 178.27 2jhb h PHE 19 N 0.00 0.11 0.00 0.92 3.04 -1.98 -1.22 116.94 117.82 2jhb h PHE 19 Ca -0.00 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.87 2jhb h PHE 19 Cb 0.24 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 2jhb h PHE 19 CO 0.00 0.01 -0.49 0.74 -2.02 0.00 0.00 178.31 176.54 2jhb h PHE 20 N 0.19 0.00 -0.69 0.41 0.04 -1.26 -3.02 116.94 112.62 2jhb h PHE 20 Ca 0.18 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 2jhb h PHE 20 Cb 0.22 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2jhb h PHE 20 CO -0.20 0.49 0.40 0.00 -0.60 0.00 0.00 178.31 178.40 2jhb h ARG 21 N 0.00 0.94 -0.31 1.51 2.47 -0.64 0.22 114.38 118.57 2jhb h ARG 21 Ca -0.00 -0.09 0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2jhb h ARG 21 Cb 1.14 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.24 2jhb h ARG 21 CO 0.06 0.67 0.15 0.87 0.56 0.00 0.00 179.97 182.28 2jhb h LYS 22 N 0.95 0.31 0.00 0.04 1.57 -1.11 -2.31 116.57 116.01 2jhb h LYS 22 Ca 0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2jhb h LYS 22 Cb -0.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2jhb h LYS 22 CO -0.04 0.20 0.00 -0.07 -0.57 0.00 0.00 179.45 178.97 2jhb h LEU 23 N 0.32 0.00 0.00 2.94 3.38 -1.46 -3.39 115.31 117.09 2jhb h LEU 23 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jhb h LEU 23 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jhb h LEU 23 CO -0.09 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.24 2jhb n SER 24 N -2.90 -4.45 -2.12 -0.43 7.64 0.73 -4.31 113.62 107.77 2jhb n SER 24 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2jhb n SER 24 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2jhb n SER 24 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jhb n ARG 25 N -1.36 0.38 -1.59 1.43 1.74 -1.26 -2.60 116.66 113.40 2jhb n ARG 25 Ca 0.00 0.00 -0.60 0.00 -0.77 0.00 0.00 57.85 56.48 2jhb n ARG 25 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.79 0.57 -4.15 5.56 0.00 -1.26 -4.63 120.64 115.94 2jhb n GLU 26 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 57.16 57.21 2jhb n GLU 26 Cb 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 31.44 29.52 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 -3.58 4.41 0.17 0.00 2.56 -1.26 -0.22 118.70 120.79 2jhb s GLU 28 Ca 0.34 1.19 0.01 0.00 0.00 0.00 0.00 54.97 56.51 2jhb s GLU 28 Cb 0.02 -2.58 -0.04 0.00 2.00 0.00 0.00 34.13 33.53 2jhb s GLU 28 CO 0.18 0.18 0.04 0.96 -0.56 0.00 0.00 175.26 176.06 2jhb s ILE 29 N -1.82 0.44 -0.02 -3.70 -4.36 0.32 -0.81 121.20 111.26 2jhb s ILE 29 Ca 0.54 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.98 2jhb s ILE 29 Cb -0.15 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.37 2jhb s ILE 29 CO 0.20 -0.37 -0.05 -0.75 0.24 0.00 0.00 174.94 174.21 2jhb s LYS 30 N -3.99 0.57 0.43 0.37 2.47 0.35 -1.53 119.74 118.41 2jhb s LYS 30 Ca 0.27 -0.15 -0.23 0.00 -1.56 0.00 0.00 55.97 54.30 2jhb s LYS 30 Cb 0.07 -0.58 -0.08 0.00 -1.46 0.00 0.00 37.83 35.77 2jhb s LYS 30 CO 0.05 0.04 1.08 -0.47 0.16 0.00 0.00 175.35 176.21 2jhb s TYR 31 N 0.30 3.11 -0.32 4.03 6.14 -0.02 -0.02 117.35 130.57 2jhb s TYR 31 Ca -0.03 1.60 0.18 0.00 0.64 0.00 0.00 57.07 59.46 2jhb s TYR 31 Cb -0.07 -3.19 0.46 0.00 0.42 0.00 0.00 41.96 39.58 2jhb s TYR 31 CO -0.00 -0.91 0.96 0.25 0.64 0.00 0.00 175.55 176.49 2jhb n THR 32 N -0.34 0.98 0.00 4.34 -2.24 -0.51 -4.80 114.28 111.71 2jhb n THR 32 Ca 0.06 -3.02 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 2jhb n THR 32 Cb 0.50 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.08 4.57 0.37 3.38 0.00 -1.17 -4.68 105.19 107.58 2jhb n GLY 33 Ca 0.09 -0.99 0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.98 -1.18 116.94 110.25 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 0.07 2.89 -2.00 0.00 0.00 178.31 179.27 2jhb n ARG 35 N -3.58 0.00 0.30 6.09 1.85 -1.26 -2.41 116.66 117.64 2jhb n ARG 35 Ca 0.04 0.37 0.20 0.00 -1.00 0.00 0.00 57.85 57.46 2jhb n ARG 35 Cb 0.50 -1.57 1.08 0.00 -1.05 0.00 0.00 32.46 31.41 2jhb n ARG 35 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 2jhb h ASP 36 N 0.00 0.00 -1.54 2.89 1.82 -1.59 -3.38 116.42 114.61 2jhb h ASP 36 Ca 0.00 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.01 2jhb h ASP 36 Cb 0.15 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 2jhb h ASP 36 CO 0.00 0.00 1.45 0.54 -1.61 0.00 0.00 179.24 179.62 2jhb n ARG 37 N -2.89 1.53 -1.66 0.28 3.00 -1.01 -4.89 116.66 111.01 2jhb n ARG 37 Ca -0.03 0.42 -0.44 0.00 -0.01 0.00 0.00 57.85 57.80 2jhb n ARG 37 Cb 0.06 -2.84 -0.01 0.00 0.00 0.00 0.00 32.46 29.67 2jhb n ARG 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2jhb n PRO 38 N 8.42 1.90 -1.65 5.56 -0.04 -1.26 -4.77 135.00 143.16 2jhb n PRO 38 Ca 0.35 0.67 -0.40 0.00 -0.04 0.00 0.00 63.50 64.08 2jhb n PRO 38 Cb 0.33 -2.22 0.02 0.00 -0.04 0.00 0.00 33.50 31.60 2jhb n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jhb n HIS 39 N 0.75 1.46 0.06 0.54 8.25 -1.26 -4.83 115.22 120.18 2jhb n HIS 39 Ca 0.08 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 2jhb n HIS 39 Cb 0.34 -2.26 0.00 0.00 1.12 0.00 0.00 29.99 29.18 2jhb n HIS 39 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2jhb n GLU 40 N -0.15 0.00 -2.71 -0.41 2.13 -1.26 -5.07 120.64 113.17 2jhb n GLU 40 Ca 0.09 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.87 2jhb n GLU 40 Cb 0.41 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.16 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 -2.76 0.39 0.00 5.31 4.07 -1.26 -5.02 120.64 121.37 2jhb n GLU 41 Ca 0.00 -1.37 0.00 0.00 -0.06 0.00 0.00 57.16 55.73 2jhb n GLU 41 Cb 0.00 -0.78 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 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 2.31 3.67 0.06 5.31 3.00 -1.26 -4.83 116.66 124.92 2jhb n ARG 42 Ca 0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.83 2jhb n ARG 42 Cb 0.63 -0.55 -0.06 0.00 0.00 0.00 0.00 32.46 32.48 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 -0.13 -0.43 5.56 7.50 -1.95 0.23 115.11 125.89 2jhb h GLN 43 Ca 0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 2jhb h GLN 43 Cb 0.00 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.54 2jhb h GLN 43 CO 0.00 -0.09 0.27 1.15 -1.50 0.00 0.00 178.83 178.66 2jhb h THR 44 N -0.13 1.12 -0.71 -0.54 2.02 -1.99 -1.37 112.91 111.30 2jhb h THR 44 Ca 0.01 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 66.99 2jhb h THR 44 Cb 0.15 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 2jhb h THR 44 CO -0.04 0.12 0.47 -0.09 0.37 0.00 0.00 175.52 176.35 2jhb h ARG 45 N 0.57 0.76 -0.08 6.66 9.65 -1.81 -0.29 114.38 129.86 2jhb h ARG 45 Ca 0.16 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2jhb h ARG 45 Cb -0.03 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 2jhb h ARG 45 CO -0.03 0.50 0.04 0.35 2.80 0.00 0.00 179.97 183.63 2jhb h PHE 46 N 0.78 0.07 0.00 2.20 3.57 0.51 0.37 116.94 124.45 2jhb h PHE 46 Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2jhb h PHE 46 Cb 0.18 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2jhb h PHE 46 CO -0.00 0.04 0.00 1.96 -2.23 0.00 0.00 178.31 178.08 2jhb h GLN 47 N 0.08 0.00 0.21 1.11 7.50 -0.68 -1.09 115.11 122.25 2jhb h GLN 47 Ca 0.03 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.85 2jhb h GLN 47 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.56 2jhb h GLN 47 CO -0.02 0.00 -1.50 -0.91 -1.50 0.00 0.00 178.83 174.90 2jhb h ASN 48 N 0.00 0.71 -0.16 1.46 2.35 0.02 -2.86 115.58 117.09 2jhb h ASN 48 Ca 0.00 -0.81 -0.12 0.00 -0.55 0.00 0.00 56.30 54.82 2jhb h ASN 48 Cb 0.48 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2jhb h ASN 48 CO 0.00 1.65 -0.30 0.00 -1.65 0.00 0.00 177.43 177.13 2jhb h ALA 49 N 0.24 0.89 -0.17 -0.83 0.00 -0.12 0.22 119.26 119.49 2jhb h ALA 49 Ca -0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 2jhb h ALA 49 Cb 2.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2jhb h ALA 49 CO 0.24 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 180.09 2jhb h ARG 51 N 0.25 0.58 -0.08 0.00 2.43 -1.02 -3.23 114.38 113.29 2jhb h ARG 51 Ca 0.06 -0.60 0.02 0.00 -0.81 0.00 0.00 59.98 58.65 2jhb h ARG 51 Cb 0.21 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2jhb h ARG 51 CO 0.01 1.22 0.11 0.22 -1.51 0.00 0.00 179.97 180.02 2jhb h ASP 52 N 0.33 0.00 0.00 -3.80 3.58 -0.12 0.16 116.42 116.57 2jhb h ASP 52 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2jhb h ASP 52 Cb 1.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.66 2jhb h ASP 52 CO 0.18 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.15 2jhb n GLY 53 N -1.33 0.26 3.48 -0.78 0.00 -1.02 -0.58 105.19 105.23 2jhb n GLY 53 Ca -0.01 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.12 -1.04 1.61 -4.01 -1.26 -4.49 116.66 107.35 2jhb n ARG 54 Ca 0.00 0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.83 2jhb n ARG 54 Cb 0.00 -1.97 0.00 0.00 -3.04 0.00 0.00 32.46 27.45 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 -1.59 0.00 -3.61 2.89 2.88 0.73 -4.92 113.62 109.99 2jhb n SER 55 Ca 0.09 -0.63 -0.29 0.00 -1.33 0.00 0.00 58.87 56.71 2jhb n SER 55 Cb 0.52 0.00 -0.15 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 -0.89 0.33 0.32 -1.46 2.12 -1.26 -0.80 118.70 117.05 2jhb s GLU 56 Ca 0.00 -0.57 0.10 0.00 0.36 0.00 0.00 54.97 54.86 2jhb s GLU 56 Cb 0.00 -1.53 -0.06 0.00 0.26 0.00 0.00 34.13 32.80 2jhb s GLU 56 CO 0.00 -0.92 -0.08 0.42 -0.54 0.00 0.00 175.26 174.14 2jhb s ILE 57 N 1.98 2.49 0.16 -3.70 1.01 -0.75 -1.42 121.20 120.97 2jhb s ILE 57 Ca 0.07 -2.15 0.02 0.00 0.00 0.00 0.00 60.65 58.58 2jhb s ILE 57 Cb -0.16 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 2jhb s ILE 57 CO -0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 174.94 174.41 2jhb s ALA 58 N -2.54 1.25 0.53 9.38 0.00 0.97 -0.33 121.76 131.02 2jhb s ALA 58 Ca 0.33 -1.55 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 2jhb s ALA 58 Cb -0.00 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2jhb s ALA 58 CO 0.17 -0.32 0.80 -0.06 0.00 0.00 0.00 175.76 176.35 2jhb s PHE 59 N -3.69 3.21 -0.14 0.00 0.40 -0.11 -0.49 117.98 117.16 2jhb s PHE 59 Ca 0.22 0.42 0.04 0.00 -0.60 0.00 0.00 56.93 57.01 2jhb s PHE 59 Cb 0.06 -2.57 -0.11 0.00 0.51 0.00 0.00 43.02 40.91 2jhb s PHE 59 CO 0.03 -0.64 -0.08 0.28 0.70 0.00 0.00 175.22 175.50 2jhb n VAL 60 N -2.36 0.82 -0.32 -0.44 0.31 0.01 -3.26 118.33 113.10 2jhb n VAL 60 Ca 0.03 -0.37 0.12 0.00 -0.01 0.00 0.00 64.34 64.12 2jhb n VAL 60 Cb 0.58 -0.92 0.30 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.17 1.50 0.00 3.52 0.00 -1.89 -3.16 119.26 119.40 2jhb h ALA 61 Ca -0.32 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jhb h ALA 61 Cb 1.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2jhb h ALA 61 CO -0.03 -0.22 0.00 2.41 0.00 0.00 0.00 179.25 181.41 2jhb n THR 62 N -4.93 0.00 -2.32 0.00 -1.04 -1.26 -5.07 114.28 99.65 2jhb n THR 62 Ca 0.22 -0.16 -0.06 0.00 -2.04 0.00 0.00 64.05 62.00 2jhb n THR 62 Cb 0.60 1.41 0.03 0.00 -1.82 0.00 0.00 70.33 70.55 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 0.13 0.11 3.01 3.41 0.00 -1.20 -5.01 105.19 105.64 2jhb n GLY 63 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2jhb n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s THR 64 N -3.15 2.05 0.20 2.61 2.01 -1.21 -4.84 115.64 113.31 2jhb s THR 64 Ca 0.12 -1.92 -0.32 0.00 0.31 0.00 0.00 61.69 59.87 2jhb s THR 64 Cb -0.02 -2.38 -0.12 0.00 0.01 0.00 0.00 72.50 69.99 2jhb s THR 64 CO 0.29 -0.36 1.73 -3.20 -0.69 0.00 0.00 174.62 172.38 2jhb n ASN 65 N 4.40 3.94 -3.84 3.53 2.85 -1.26 -0.93 115.26 123.95 2jhb n ASN 65 Ca -0.04 1.06 -0.14 0.00 -0.11 0.00 0.00 54.58 55.35 2jhb n ASN 65 Cb 0.42 -1.56 -0.15 0.00 1.24 0.00 0.00 39.78 39.73 2jhb n ASN 65 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2jhb s LEU 66 N 1.29 1.66 -0.46 1.20 -0.00 0.55 -4.95 118.68 117.97 2jhb s LEU 66 Ca 0.76 -0.00 -0.29 0.00 -0.00 0.00 0.00 54.13 54.60 2jhb s LEU 66 Cb -0.52 -0.07 0.03 0.00 -0.00 0.00 0.00 46.19 45.64 2jhb s LEU 66 CO 0.33 -0.04 1.13 -0.44 -0.00 0.00 0.00 176.35 177.33 2jhb s SER 67 N 0.39 6.67 0.33 1.48 0.01 -1.26 -1.81 113.70 119.52 2jhb s SER 67 Ca -0.03 0.54 -0.27 0.00 1.31 0.00 0.00 55.95 57.50 2jhb s SER 67 Cb -0.05 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 2jhb s SER 67 CO -0.01 -1.20 1.05 -0.76 0.41 0.00 0.00 173.24 172.73 2jhb s LEU 68 N 4.34 4.35 -0.31 2.44 1.43 0.02 -4.91 118.68 126.04 2jhb s LEU 68 Ca 0.47 2.10 -0.00 0.00 -1.03 0.00 0.00 54.13 55.68 2jhb s LEU 68 Cb -0.08 -3.91 0.10 0.00 0.03 0.00 0.00 46.19 42.33 2jhb s LEU 68 CO 0.29 -0.27 0.08 -1.10 0.23 0.00 0.00 176.35 175.59 2jhb s GLN 69 N -1.95 0.86 -1.11 1.70 -0.21 -1.26 -0.19 119.66 117.48 2jhb s GLN 69 Ca 0.51 -1.18 -0.09 0.00 0.02 0.00 0.00 55.36 54.62 2jhb s GLN 69 Cb -0.26 -2.20 -0.14 0.00 1.00 0.00 0.00 33.01 31.41 2jhb s GLN 69 CO 0.33 -0.96 3.17 1.19 -2.12 0.00 0.00 175.29 176.90 2jhb n PHE 70 N 4.75 1.66 -3.82 0.91 3.72 -1.26 -4.25 117.46 119.18 2jhb n PHE 70 Ca -0.02 -2.59 -0.36 0.00 -0.05 0.00 0.00 57.45 54.43 2jhb n PHE 70 Cb 0.42 -2.21 -0.13 0.00 -0.94 0.00 0.00 39.48 36.63 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 1.76 3.30 0.00 1.38 -0.71 -1.26 -4.82 117.98 117.62 2jhb s PHE 71 Ca 0.69 -1.73 0.00 0.00 -1.04 0.00 0.00 56.93 54.85 2jhb s PHE 71 Cb 0.22 -2.33 0.00 0.00 -1.21 0.00 0.00 43.02 39.71 2jhb s PHE 71 CO -0.04 -0.79 0.00 -0.35 -1.34 0.00 0.00 175.22 172.70 2jhb n PRO 72 N 4.71 1.82 0.12 1.99 -0.04 -1.26 -4.51 135.00 137.83 2jhb n PRO 72 Ca -0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 2jhb n PRO 72 Cb 0.44 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.81 2jhb n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jhb h ALA 73 N -2.00 -0.31 -3.09 0.55 0.00 -1.98 -3.44 119.26 108.99 2jhb h ALA 73 Ca 0.00 -0.17 -0.70 0.00 0.00 0.00 0.00 54.91 54.04 2jhb h ALA 73 Cb 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 17.79 17.60 2jhb h ALA 73 CO 0.00 -0.51 -0.56 -1.12 0.00 0.00 0.00 179.25 177.06 2jhb s SER 74 N -5.18 5.33 0.00 0.00 0.01 -1.26 -5.06 113.70 107.54 2jhb s SER 74 Ca -0.14 -1.51 0.01 0.00 1.31 0.00 0.00 55.95 55.61 2jhb s SER 74 Cb 0.03 -1.87 -0.00 0.00 0.21 0.00 0.00 66.02 64.38 2jhb s SER 74 CO 0.58 -0.44 -0.02 -1.66 0.41 0.00 0.00 173.24 172.11 2jhb s TRP 75 N 1.32 0.20 0.07 2.43 1.48 -1.26 -5.05 118.94 118.13 2jhb s TRP 75 Ca 0.02 -0.09 0.12 0.00 -1.06 0.00 0.00 56.10 55.09 2jhb s TRP 75 Cb -0.22 -0.13 0.12 0.00 -1.16 0.00 0.00 33.47 32.08 2jhb s TRP 75 CO 0.00 -0.02 1.46 -0.56 -4.06 0.00 0.00 176.95 173.77 2jhb h GLN 76 N 5.91 0.00 0.00 3.25 -0.00 -1.92 -3.48 115.11 118.87 2jhb h GLN 76 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2jhb h GLN 76 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.68 2jhb h GLN 76 CO 0.49 0.68 0.00 0.41 -0.00 0.00 0.00 178.83 180.41 2jhb n GLY 77 N 0.95 -1.78 0.00 0.06 0.00 -1.26 -5.13 105.19 98.03 2jhb n GLY 77 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2jhb n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jhb n GLU 78 N 0.00 0.00 -2.72 1.61 1.02 -1.26 -4.93 120.64 114.37 2jhb n GLU 78 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2jhb n GLU 78 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 2jhb n GLU 78 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2jhb n GLN 79 N 0.00 -2.42 -0.83 3.49 0.00 0.26 -4.77 117.38 113.11 2jhb n GLN 79 Ca 0.00 2.13 0.11 0.00 -0.00 0.00 0.00 57.00 59.24 2jhb n GLN 79 Cb 0.00 -5.29 -0.03 0.00 0.00 0.00 0.00 30.24 24.92 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 -0.11 -1.67 0.00 3.69 0.63 0.56 -4.94 116.66 114.81 2jhb n ARG 80 Ca 0.09 1.10 0.00 0.00 -0.92 0.00 0.00 57.85 58.12 2jhb n ARG 80 Cb 0.33 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.20 2jhb n ARG 80 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jhb n GLN 81 N -2.85 0.00 -3.85 -0.14 10.64 -1.26 -4.82 117.38 115.10 2jhb n GLN 81 Ca 0.01 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 2jhb n GLN 81 Cb 0.38 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.76 2jhb n GLN 81 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2jhb n THR 82 N 0.00 -2.91 -1.17 -0.39 5.66 -1.26 -4.96 114.28 109.25 2jhb n THR 82 Ca 0.00 -0.17 -0.30 0.00 -3.05 0.00 0.00 64.05 60.53 2jhb n THR 82 Cb 0.00 -2.56 0.23 0.00 -1.55 0.00 0.00 70.33 66.44 2jhb n THR 82 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2jhb s PRO 83 N -5.61 -0.83 0.69 1.09 0.04 -1.26 -5.05 135.00 124.06 2jhb s PRO 83 Ca 0.14 -0.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.06 2jhb s PRO 83 Cb -0.08 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.84 2jhb s PRO 83 CO 0.89 -3.46 1.07 -1.12 0.04 0.00 0.00 177.00 174.41 2jhb s SER 84 N -3.91 5.47 0.36 6.66 0.01 -1.26 -4.82 113.70 116.21 2jhb s SER 84 Ca 0.70 1.07 0.19 0.00 1.31 0.00 0.00 55.95 59.22 2jhb s SER 84 Cb -0.11 -1.89 0.31 0.00 0.21 0.00 0.00 66.02 64.54 2jhb s SER 84 CO 0.56 -1.30 1.57 0.03 0.41 0.00 0.00 173.24 174.51 2jhb h ARG 85 N -0.58 0.00 -0.14 12.44 3.08 -1.90 0.08 114.38 127.35 2jhb h ARG 85 Ca -0.45 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.42 2jhb h ARG 85 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 2jhb h ARG 85 CO 0.63 0.30 -0.66 1.49 -1.07 0.00 0.00 179.97 180.66 2jhb h GLU 86 N 0.00 0.56 0.00 0.04 4.57 -1.94 -3.40 114.58 114.41 2jhb h GLU 86 Ca -0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2jhb h GLU 86 Cb 1.15 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2jhb h GLU 86 CO 0.04 1.03 0.00 0.98 -1.18 0.00 0.00 179.01 179.88 2jhb n TYR 87 N -3.91 0.00 -3.72 0.92 4.19 -0.80 -2.36 117.16 111.47 2jhb n TYR 87 Ca -0.04 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.03 2jhb n TYR 87 Cb 0.67 -0.39 -0.09 0.00 0.49 0.00 0.00 39.34 40.02 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 -1.83 0.03 -0.41 2.97 1.01 -0.05 -1.87 120.40 120.25 2jhb s VAL 88 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 2jhb s VAL 88 Cb 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.74 2jhb s VAL 88 CO 0.00 -0.14 0.50 -0.67 0.00 0.00 0.00 175.10 174.80 2jhb n ASP 89 N 1.76 -7.90 -1.48 3.32 2.03 -1.26 -4.48 116.55 108.54 2jhb n ASP 89 Ca -0.18 0.66 -0.04 0.00 0.52 0.00 0.00 54.79 55.74 2jhb n ASP 89 Cb 0.56 -5.26 0.10 0.00 -0.72 0.00 0.00 41.12 35.80 2jhb n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jhb n LEU 90 N -0.13 2.96 -2.82 -2.67 -0.00 -1.26 -4.88 117.00 108.20 2jhb n LEU 90 Ca 0.09 -3.74 -0.21 0.00 -0.00 0.00 0.00 56.01 52.15 2jhb n LEU 90 Cb 0.40 -0.25 0.02 0.00 -0.00 0.00 0.00 43.42 43.58 2jhb n LEU 90 CO 0.47 1.43 -0.10 1.21 -0.00 0.00 0.00 177.39 180.41 2jhb n GLU 91 N -0.66 -3.65 -2.02 1.47 2.13 -1.26 -4.22 120.64 112.43 2jhb n GLU 91 Ca 0.23 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.94 2jhb n GLU 91 Cb 0.87 -5.67 0.00 0.00 0.27 0.00 0.00 31.44 26.91 2jhb n GLU 91 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jhb n ARG 92 N -3.63 -5.59 0.00 5.31 3.00 -1.26 -5.08 116.66 109.41 2jhb n ARG 92 Ca -0.15 4.00 0.00 0.00 -0.01 0.00 0.00 57.85 61.69 2jhb n ARG 92 Cb 0.63 -4.37 0.00 0.00 0.00 0.00 0.00 32.46 28.73 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 1.13 1.38 0.00 5.56 4.07 -1.23 -5.08 120.64 126.47 2jhb n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2jhb n GLU 93 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jhb n ALA 94 N -3.00 0.00 1.10 4.31 0.00 -1.26 -4.79 120.51 116.88 2jhb n ALA 94 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2jhb n ALA 94 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 1.38 -0.55 3.37 0.00 0.00 -1.26 -4.65 105.19 103.48 2jhb n GLY 95 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 1.40 0.26 1.61 0.00 -1.26 -1.20 119.74 118.55 2jhb s LYS 96 Ca 0.05 -1.59 0.06 0.00 0.00 0.00 0.00 55.97 54.49 2jhb s LYS 96 Cb 0.02 -1.32 -0.03 0.00 0.00 0.00 0.00 37.83 36.50 2jhb s LYS 96 CO 0.04 0.24 0.31 0.54 0.00 0.00 0.00 175.35 176.48 2jhb s VAL 97 N -2.66 4.77 0.07 1.79 0.11 -0.25 -3.56 120.40 120.67 2jhb s VAL 97 Ca 0.23 -1.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.16 2jhb s VAL 97 Cb -0.03 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2jhb s VAL 97 CO 0.09 -0.31 0.05 -0.31 -3.33 0.00 0.00 175.10 171.29 2jhb s TYR 98 N -2.07 3.13 0.01 1.54 1.51 -1.26 -1.43 117.35 118.78 2jhb s TYR 98 Ca 0.35 0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.45 2jhb s TYR 98 Cb -0.08 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 2jhb s TYR 98 CO 0.28 0.51 0.02 -0.51 -1.11 0.00 0.00 175.55 174.73 2jhb s LEU 99 N -2.21 2.05 -0.28 -1.29 1.43 0.16 -4.53 118.68 114.01 2jhb s LEU 99 Ca 0.27 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 2jhb s LEU 99 Cb -0.12 0.25 0.10 0.00 0.03 0.00 0.00 46.19 46.44 2jhb s LEU 99 CO 0.19 -0.31 0.76 -0.75 0.23 0.00 0.00 176.35 176.47 2jhb s LYS 100 N -1.37 0.63 -0.45 1.70 2.20 -0.78 -1.23 119.74 120.43 2jhb s LYS 100 Ca -0.15 1.09 0.07 0.00 -0.36 0.00 0.00 55.97 56.62 2jhb s LYS 100 Cb -0.09 0.12 0.18 0.00 -1.51 0.00 0.00 37.83 36.54 2jhb s LYS 100 CO -0.00 -0.13 0.64 0.00 -0.36 0.00 0.00 175.35 175.49 2jhb s ALA 101 N 1.57 -1.94 0.73 3.13 0.00 0.04 -4.56 121.76 120.72 2jhb s ALA 101 Ca -0.10 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 2jhb s ALA 101 Cb -0.05 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.49 2jhb s ALA 101 CO -0.19 -2.21 1.21 -1.25 0.00 0.00 0.00 175.76 173.32 2jhb s PRO 102 N 1.34 2.12 0.44 0.00 0.04 -1.26 -2.88 135.00 134.80 2jhb s PRO 102 Ca 0.22 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2jhb s PRO 102 Cb -0.03 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2jhb s PRO 102 CO -0.06 -1.85 0.08 -1.64 0.04 0.00 0.00 177.00 173.57 2jhb s MET 103 N -3.91 2.01 -0.38 4.56 1.00 -0.15 -4.46 119.30 117.97 2jhb s MET 103 Ca 0.74 -2.24 0.01 0.00 0.00 0.00 0.00 55.69 54.20 2jhb s MET 103 Cb -0.29 -0.97 0.13 0.00 0.00 0.00 0.00 34.83 33.70 2jhb s MET 103 CO 0.45 -0.41 0.19 0.42 0.00 0.00 0.00 175.02 175.68 2jhb s ILE 104 N -3.08 0.95 -0.25 2.53 1.01 -1.25 -3.97 121.20 117.13 2jhb s ILE 104 Ca 0.19 -2.03 -0.02 0.00 0.00 0.00 0.00 60.65 58.79 2jhb s ILE 104 Cb 0.03 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.83 2jhb s ILE 104 CO 0.11 -0.86 -0.05 -0.76 0.00 0.00 0.00 174.94 173.39 2jhb s LEU 105 N 0.88 3.26 0.00 2.97 2.01 -0.87 -4.55 118.68 122.39 2jhb s LEU 105 Ca 0.15 -0.85 0.00 0.00 0.01 0.00 0.00 54.13 53.44 2jhb s LEU 105 Cb -0.22 -1.69 0.00 0.00 0.01 0.00 0.00 46.19 44.29 2jhb s LEU 105 CO -0.07 -0.13 0.00 -3.20 1.01 0.00 0.00 176.35 173.96 2jhb n ASN 106 N 4.69 -4.81 0.00 2.29 2.85 -1.26 -0.91 115.26 118.11 2jhb n ASN 106 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2jhb n ASN 106 Cb 0.47 -3.09 0.00 0.00 1.24 0.00 0.00 39.78 38.40 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 0.63 1.48 3.12 8.20 0.00 -1.26 -4.52 105.19 112.83 2jhb n GLY 107 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 2.02 -1.21 1.61 1.01 -0.08 -0.67 120.40 121.07 2jhb s VAL 108 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 2jhb s VAL 108 Cb 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2jhb s VAL 108 CO 0.00 0.53 1.88 0.00 0.00 0.00 0.00 175.10 177.51 2jhb s VAL 110 N 7.34 4.72 -0.16 0.00 -7.23 -1.26 -1.26 120.40 122.55 2jhb s VAL 110 Ca 0.60 0.77 -0.20 0.00 -1.81 0.00 0.00 61.98 61.35 2jhb s VAL 110 Cb 0.03 -3.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 2jhb s VAL 110 CO 0.10 -0.67 0.56 -0.63 -0.31 0.00 0.00 175.10 174.15 2jhb s ILE 111 N -2.56 5.10 -0.08 -0.62 1.01 0.62 -0.97 121.20 123.70 2jhb s ILE 111 Ca 0.53 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 62.04 2jhb s ILE 111 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2jhb s ILE 111 CO 0.35 0.21 0.64 0.86 0.00 0.00 0.00 174.94 177.01 2jhb s TRP 112 N 1.29 3.57 0.24 3.97 -0.00 -1.14 -0.33 118.94 126.54 2jhb s TRP 112 Ca 0.28 1.16 0.04 0.00 -0.00 0.00 0.00 56.10 57.58 2jhb s TRP 112 Cb -0.16 -2.74 -0.05 0.00 -0.00 0.00 0.00 33.47 30.53 2jhb s TRP 112 CO 0.11 0.12 -0.01 -1.59 -0.00 0.00 0.00 176.95 175.58 2jhb s LYS 113 N 0.71 1.36 0.00 5.86 -2.85 -0.39 -0.78 119.74 123.65 2jhb s LYS 113 Ca 0.34 -1.69 0.00 0.00 -1.00 0.00 0.00 55.97 53.63 2jhb s LYS 113 Cb -0.17 -0.66 0.00 0.00 -2.06 0.00 0.00 37.83 34.93 2jhb s LYS 113 CO 0.16 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.93 2jhb n GLY 114 N -0.44 -0.83 2.97 0.59 0.00 -0.36 -0.89 105.19 106.24 2jhb n GLY 114 Ca -0.05 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 2.21 -0.23 1.61 -2.14 0.94 -0.66 118.94 118.66 2jhb s TRP 115 Ca 0.00 -1.42 -0.18 0.00 2.66 0.00 0.00 56.10 57.16 2jhb s TRP 115 Cb 0.00 -1.55 -0.03 0.00 -3.10 0.00 0.00 33.47 28.79 2jhb s TRP 115 CO 0.00 -0.70 0.51 0.42 -2.66 0.00 0.00 176.95 174.52 2jhb s ILE 116 N 1.47 5.09 0.36 0.66 -1.09 -0.52 -1.04 121.20 126.13 2jhb s ILE 116 Ca 0.00 0.91 -0.26 0.00 -2.23 0.00 0.00 60.65 59.07 2jhb s ILE 116 Cb -0.16 -3.83 -0.09 0.00 -1.58 0.00 0.00 42.46 36.80 2jhb s ILE 116 CO -0.08 0.14 1.04 -0.62 -1.23 0.00 0.00 174.94 174.18 2jhb s ASP 117 N 1.34 6.98 0.00 3.58 -1.08 0.40 -1.08 116.67 126.80 2jhb s ASP 117 Ca 0.22 2.04 0.24 0.00 -0.52 0.00 0.00 52.55 54.54 2jhb s ASP 117 Cb -0.15 -2.59 1.43 0.00 -1.46 0.00 0.00 42.92 40.15 2jhb s ASP 117 CO 0.09 -0.33 1.88 0.18 0.52 0.00 0.00 175.17 177.51 2jhb n LEU 118 N 0.32 0.00 0.30 -1.34 4.77 -0.34 -2.24 117.00 118.47 2jhb n LEU 118 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 2jhb n LEU 118 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 2jhb n LEU 118 CO 0.47 0.00 0.43 1.12 -1.33 0.00 0.00 177.39 178.08 2jhb h HIS 119 N 0.00 -0.71 0.00 -1.77 2.07 -1.91 -3.43 115.15 109.40 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 0.00 0.24 0.00 0.00 2.57 0.00 0.00 27.41 30.22 2jhb h HIS 119 CO 0.00 -0.44 0.00 0.54 -3.07 0.00 0.00 177.93 174.96 2jhb n ARG 120 N -4.43 0.00 -2.93 5.12 5.12 -1.25 -5.01 116.66 113.28 2jhb n ARG 120 Ca -0.10 -0.16 -0.10 0.00 -1.93 0.00 0.00 57.85 55.56 2jhb n ARG 120 Cb 0.30 -0.36 0.04 0.00 -1.16 0.00 0.00 32.46 31.28 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 -2.73 -4.95 0.55 7.99 -0.95 -4.92 117.00 111.99 2jhb n LEU 121 Ca 0.00 -0.26 -0.24 0.00 -0.01 0.00 0.00 56.01 55.50 2jhb n LEU 121 Cb 0.36 -1.69 0.02 0.00 -0.11 0.00 0.00 43.42 42.00 2jhb n LEU 121 CO 0.00 0.27 0.16 -1.81 -1.51 0.00 0.00 177.39 174.51 2jhb s ASP 122 N -3.27 4.79 0.00 -1.43 1.11 -1.26 -0.84 116.67 115.77 2jhb s ASP 122 Ca 0.21 -1.12 0.00 0.00 0.18 0.00 0.00 52.55 51.82 2jhb s ASP 122 Cb -0.09 0.41 0.00 0.00 1.07 0.00 0.00 42.92 44.31 2jhb s ASP 122 CO 0.34 -1.21 0.00 0.61 1.18 0.00 0.00 175.17 176.09 2jhb n GLY 123 N -1.95 -0.34 3.24 0.21 0.00 -0.58 -0.46 105.19 105.31 2jhb n GLY 123 Ca 0.05 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 2jhb n GLY 123 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jhb s MET 124 N -2.00 1.00 0.00 1.61 1.75 -0.20 -0.52 119.30 120.94 2jhb s MET 124 Ca 0.00 -1.07 0.00 0.00 -1.25 0.00 0.00 55.69 53.37 2jhb s MET 124 Cb 0.00 -1.16 0.00 0.00 2.84 0.00 0.00 34.83 36.51 2jhb s MET 124 CO 0.00 0.27 0.00 0.41 -0.65 0.00 0.00 175.02 175.05 2jhb n GLY 125 N 1.18 -0.76 1.08 2.11 0.00 0.70 -0.04 105.19 109.45 2jhb n GLY 125 Ca -0.20 -1.09 0.01 0.00 0.00 0.00 0.00 46.02 44.74 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 3.91 0.31 0.00 1.43 -1.07 -1.26 118.68 122.00 2jhb s LEU 127 Ca 0.09 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2jhb s LEU 127 Cb -0.00 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.71 2jhb s LEU 127 CO -0.01 -0.22 0.52 -0.70 0.23 0.00 0.00 176.35 176.17 2jhb s GLU 128 N -3.99 1.80 0.31 1.70 2.12 0.55 -4.66 118.70 116.53 2jhb s GLU 128 Ca 0.38 -1.49 -0.09 0.00 0.36 0.00 0.00 54.97 54.13 2jhb s GLU 128 Cb -0.08 0.48 -0.07 0.00 0.26 0.00 0.00 34.13 34.73 2jhb s GLU 128 CO 0.28 -0.77 0.64 0.12 -0.54 0.00 0.00 175.26 174.99 2jhb s PHE 129 N -3.36 3.45 -0.78 5.30 5.36 -1.26 -0.27 117.98 126.42 2jhb s PHE 129 Ca 0.25 0.90 -0.05 0.00 -0.96 0.00 0.00 56.93 57.06 2jhb s PHE 129 Cb -0.01 -2.30 0.20 0.00 -0.34 0.00 0.00 43.02 40.56 2jhb s PHE 129 CO 0.14 0.11 0.65 0.34 -1.46 0.00 0.00 175.22 175.00 2jhb s ASP 130 N -2.82 5.90 0.09 6.13 -1.08 -0.39 -4.21 116.67 120.29 2jhb s ASP 130 Ca 0.48 -3.12 -0.22 0.00 -0.52 0.00 0.00 52.55 49.17 2jhb s ASP 130 Cb -0.11 -1.97 -0.14 0.00 -1.46 0.00 0.00 42.92 39.25 2jhb s ASP 130 CO 0.26 -0.35 1.72 -0.08 0.52 0.00 0.00 175.17 177.24 2jhb h GLU 131 N 6.86 0.06 -0.16 4.34 4.81 -1.97 0.21 114.58 128.74 2jhb h GLU 131 Ca 0.07 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2jhb h GLU 131 Cb 0.93 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 2jhb h GLU 131 CO 0.78 0.07 -0.27 1.49 -0.73 0.00 0.00 179.01 180.35 2jhb h GLU 132 N 0.03 0.46 -0.35 1.92 4.81 -1.97 -0.55 114.58 118.93 2jhb h GLU 132 Ca 0.02 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.86 2jhb h GLU 132 Cb 0.03 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2jhb h GLU 132 CO -0.00 0.88 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.86 2jhb h ARG 133 N 0.09 0.67 -0.29 1.92 2.43 -1.94 -0.19 114.38 117.07 2jhb h ARG 133 Ca 0.01 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 2jhb h ARG 133 Cb 0.85 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2jhb h ARG 133 CO 0.06 0.83 0.15 0.00 -1.51 0.00 0.00 179.97 179.50 2jhb h ALA 134 N 1.18 0.37 -0.06 2.80 0.00 -0.50 0.53 119.26 123.58 2jhb h ALA 134 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jhb h ALA 134 Cb 0.68 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jhb h ALA 134 CO 0.05 -0.09 -0.01 1.96 0.00 0.00 0.00 179.25 181.17 2jhb h GLN 135 N 0.34 0.08 -0.02 0.00 4.20 -0.70 0.16 115.11 119.18 2jhb h GLN 135 Ca 0.10 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2jhb h GLN 135 Cb 0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2jhb h GLN 135 CO -0.01 0.10 -0.07 0.37 -0.67 0.00 0.00 178.83 178.55 2jhb h GLN 136 N 0.08 0.08 -0.12 1.46 5.75 -0.31 -2.93 115.11 119.12 2jhb h GLN 136 Ca 0.02 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.38 2jhb h GLN 136 Cb 0.07 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2jhb h GLN 136 CO 0.00 0.70 -0.30 1.49 -2.65 0.00 0.00 178.83 178.08 2jhb h GLU 137 N -0.54 0.23 -0.10 1.69 4.57 -0.61 -0.97 114.58 118.85 2jhb h GLU 137 Ca -0.00 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2jhb h GLU 137 Cb 0.71 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 2jhb h GLU 137 CO 0.01 0.51 -0.06 -0.44 -1.18 0.00 0.00 179.01 177.85 2jhb h ASP 138 N 0.20 -0.19 -0.46 1.04 3.32 -0.74 -1.02 116.42 118.57 2jhb h ASP 138 Ca 0.03 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2jhb h ASP 138 Cb 0.63 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2jhb h ASP 138 CO 0.05 -0.08 0.20 0.00 -1.72 0.00 0.00 179.24 177.69 2jhb h ALA 139 N 1.04 0.59 0.00 3.45 0.00 -1.26 -3.00 119.26 120.08 2jhb h ALA 139 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jhb h ALA 139 Cb 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jhb h ALA 139 CO -0.14 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2jhb n LEU 140 N -4.62 0.44 -0.45 0.00 4.77 -0.40 -1.59 117.00 115.14 2jhb n LEU 140 Ca 0.01 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 2jhb n LEU 140 Cb 0.13 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2jhb n LEU 140 CO 0.37 -0.66 0.08 0.00 -1.33 0.00 0.00 177.39 175.86 2jhb n ALA 141 N -1.70 1.49 -3.98 -1.18 0.00 -0.46 -4.71 120.51 109.97 2jhb n ALA 141 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 2jhb n ALA 141 Cb 0.11 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.27 -1.34 0.00 0.00 3.00 -1.11 -5.02 117.38 113.18 2jhb n GLN 142 Ca 0.00 0.26 0.13 0.00 -0.01 0.00 0.00 57.00 57.38 2jhb n GLN 142 Cb 0.07 -3.60 0.37 0.00 0.00 0.00 0.00 30.24 27.07 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00