#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3j h THR 2 N 0.00 1.30 -0.78 1.12 2.02 -2.05 -2.57 112.91 111.94 2b3j h THR 2 Ca 0.00 -1.68 0.04 0.00 0.77 0.00 0.00 66.41 65.54 2b3j h THR 2 Cb 0.00 1.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 2b3j h THR 2 CO 0.00 0.54 0.49 0.78 0.37 0.00 0.00 175.52 177.70 2b3j h ASN 3 N 0.51 0.81 -0.66 4.18 -0.26 -2.05 -0.04 115.58 118.06 2b3j h ASN 3 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2b3j h ASN 3 Cb 1.08 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 38.14 2b3j h ASN 3 CO 0.11 0.55 0.41 0.44 -1.06 0.00 0.00 177.43 177.89 2b3j h ASP 4 N 0.96 0.78 -0.26 5.81 3.45 -1.96 -1.28 116.42 123.92 2b3j h ASP 4 Ca 0.32 -0.05 -0.09 0.00 0.43 0.00 0.00 57.03 57.64 2b3j h ASP 4 Cb 0.04 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 2b3j h ASP 4 CO -0.12 0.59 -0.14 0.40 -1.57 0.00 0.00 179.24 178.41 2b3j h ILE 5 N 0.90 1.25 0.25 0.35 2.04 -0.99 0.10 117.51 121.42 2b3j h ILE 5 Ca 0.24 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2b3j h ILE 5 Cb -0.06 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2b3j h ILE 5 CO -0.05 0.39 -0.12 0.22 0.00 0.00 0.00 178.15 178.59 2b3j h TYR 6 N 0.61 -0.31 -0.34 1.37 5.03 -0.40 -1.19 116.97 121.74 2b3j h TYR 6 Ca 0.10 -0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.28 2b3j h TYR 6 Cb 0.59 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 2b3j h TYR 6 CO 0.03 -0.16 -0.28 0.74 -1.32 0.00 0.00 178.16 177.16 2b3j h PHE 7 N -0.39 0.82 -0.04 -3.82 0.04 -1.11 -2.67 116.94 109.76 2b3j h PHE 7 Ca -0.03 -0.20 -0.06 0.00 2.80 0.00 0.00 57.97 60.47 2b3j h PHE 7 Cb 0.30 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2b3j h PHE 7 CO -0.05 0.91 -0.25 1.98 -0.60 0.00 0.00 178.31 180.30 2b3j h MET 8 N 0.61 0.07 -0.49 1.51 4.05 -0.70 -1.57 114.93 118.41 2b3j h MET 8 Ca 0.07 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 2b3j h MET 8 Cb 0.79 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 2b3j h MET 8 CO 0.07 0.32 0.24 1.15 0.23 0.00 0.00 176.91 178.92 2b3j h THR 9 N 0.07 1.19 -0.19 -0.77 2.02 -0.88 0.33 112.91 114.67 2b3j h THR 9 Ca 0.01 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 2b3j h THR 9 Cb 0.49 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2b3j h THR 9 CO 0.03 0.21 -0.10 -0.07 0.37 0.00 0.00 175.52 175.96 2b3j h LEU 10 N 0.64 0.28 -0.47 2.58 3.38 -1.13 -0.91 115.31 119.68 2b3j h LEU 10 Ca 0.17 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 2b3j h LEU 10 Cb 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2b3j h LEU 10 CO -0.02 0.41 -0.58 0.00 0.09 0.00 0.00 178.44 178.34 2b3j h ALA 11 N 1.62 0.65 -0.57 1.53 0.00 -0.53 -1.94 119.26 120.01 2b3j h ALA 11 Ca 0.06 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2b3j h ALA 11 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2b3j h ALA 11 CO 0.02 0.70 -0.06 0.82 0.00 0.00 0.00 179.25 180.73 2b3j h ILE 12 N 0.43 1.27 -0.50 0.00 2.04 -0.45 -0.66 117.51 119.64 2b3j h ILE 12 Ca 0.00 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 2b3j h ILE 12 Cb 1.14 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2b3j h ILE 12 CO 0.11 0.44 0.28 -0.33 0.00 0.00 0.00 178.15 178.65 2b3j h GLU 13 N 0.94 0.69 -0.44 2.37 4.39 -0.95 -0.25 114.58 121.34 2b3j h GLU 13 Ca 0.16 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 2b3j h GLU 13 Cb 0.62 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2b3j h GLU 13 CO 0.04 0.50 0.01 0.93 -1.16 0.00 0.00 179.01 179.33 2b3j h GLU 14 N 0.70 0.77 -1.01 2.33 4.39 -0.61 -2.55 114.58 118.60 2b3j h GLU 14 Ca 0.18 -0.24 0.08 0.00 0.34 0.00 0.00 59.36 59.72 2b3j h GLU 14 Cb 0.01 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.52 2b3j h GLU 14 CO -0.03 0.84 0.65 0.00 -1.16 0.00 0.00 179.01 179.30 2b3j h ALA 15 N 0.91 1.44 -0.24 3.43 0.00 0.33 -0.49 119.26 124.64 2b3j h ALA 15 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2b3j h ALA 15 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2b3j h ALA 15 CO 0.02 0.38 0.01 0.87 0.00 0.00 0.00 179.25 180.53 2b3j h LYS 16 N 1.12 0.36 -0.40 0.00 1.57 -0.72 -1.73 116.57 116.77 2b3j h LYS 16 Ca 0.45 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.07 2b3j h LYS 16 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2b3j h LYS 16 CO -0.20 0.38 -0.17 0.87 -0.57 0.00 0.00 179.45 179.76 2b3j h LYS 17 N 0.35 0.75 -0.44 3.15 1.57 -0.73 -1.61 116.57 119.61 2b3j h LYS 17 Ca 0.08 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 2b3j h LYS 17 Cb 0.23 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2b3j h LYS 17 CO 0.00 0.87 0.11 0.00 -0.57 0.00 0.00 179.45 179.87 2b3j h ALA 18 N 1.14 0.57 -0.49 3.86 0.00 -0.95 -2.72 119.26 120.68 2b3j h ALA 18 Ca 0.10 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2b3j h ALA 18 Cb 0.66 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2b3j h ALA 18 CO 0.05 0.25 0.21 0.00 0.00 0.00 0.00 179.25 179.75 2b3j h ALA 19 N 0.97 0.61 0.00 0.00 0.00 -1.05 0.48 119.26 120.26 2b3j h ALA 19 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2b3j h ALA 19 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b3j h ALA 19 CO 0.00 -0.17 0.09 -0.56 0.00 0.00 0.00 179.25 178.61 2b3j h GLN 20 N 0.41 0.00 -0.00 0.00 -0.00 -0.99 0.36 115.11 114.89 2b3j h GLN 20 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 2b3j h GLN 20 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 2b3j h GLN 20 CO -0.20 0.00 -0.97 1.28 -0.00 0.00 0.00 178.83 178.94 2b3j n LEU 21 N -2.59 1.03 0.00 0.06 4.77 -0.00 -4.96 117.00 115.30 2b3j n LEU 21 Ca -0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2b3j n LEU 21 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2b3j n LEU 21 CO 0.13 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2b3j n GLY 22 N 1.49 0.84 3.90 -0.72 0.00 0.13 -4.99 105.19 105.83 2b3j n GLY 22 Ca 0.04 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2b3j n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b3j s GLU 23 N -0.68 3.66 0.11 1.61 0.41 -0.25 -4.97 118.70 118.60 2b3j s GLU 23 Ca 0.00 0.04 -0.34 0.00 -0.41 0.00 0.00 54.97 54.27 2b3j s GLU 23 Cb 0.00 -2.67 -0.13 0.00 -1.78 0.00 0.00 34.13 29.55 2b3j s GLU 23 CO 0.00 0.27 1.66 0.28 -0.49 0.00 0.00 175.26 176.98 2b3j n VAL 24 N -0.64 0.15 -1.87 2.63 0.31 -1.26 -3.59 118.33 114.05 2b3j n VAL 24 Ca -0.01 -0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 64.04 2b3j n VAL 24 Cb 0.53 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.75 2b3j n VAL 24 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2b3j s PRO 25 N 1.70 2.25 -0.03 5.55 0.02 -1.26 -4.67 135.00 138.56 2b3j s PRO 25 Ca 0.82 0.21 0.00 0.00 0.02 0.00 0.00 61.00 62.05 2b3j s PRO 25 Cb -0.66 -4.84 0.03 0.00 0.02 0.00 0.00 34.50 29.05 2b3j s PRO 25 CO 0.40 -3.58 0.00 0.42 -0.33 0.00 0.00 177.00 173.92 2b3j s ILE 26 N 11.46 0.15 0.21 2.83 1.01 -1.26 -4.74 121.20 130.86 2b3j s ILE 26 Ca 0.78 0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.58 2b3j s ILE 26 Cb -0.10 -0.25 -0.05 0.00 0.01 0.00 0.00 42.46 42.07 2b3j s ILE 26 CO 0.07 0.14 -0.07 -0.83 0.00 0.00 0.00 174.94 174.25 2b3j s GLY 27 N 1.00 1.41 0.03 6.18 0.00 -1.25 -1.20 107.32 113.49 2b3j s GLY 27 Ca -0.10 -1.67 -0.10 0.00 0.00 0.00 0.00 44.72 42.84 2b3j s GLY 27 CO -0.02 -1.69 0.22 0.00 0.00 0.00 0.00 173.10 171.61 2b3j s ALA 28 N -3.24 -0.45 -0.03 3.20 0.00 0.28 -1.73 121.76 119.80 2b3j s ALA 28 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2b3j s ALA 28 Cb 0.03 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.42 2b3j s ALA 28 CO 0.06 -0.35 0.07 0.42 0.00 0.00 0.00 175.76 175.96 2b3j s ILE 29 N -2.38 -0.00 -0.09 0.00 -1.09 0.11 -2.04 121.20 115.71 2b3j s ILE 29 Ca -0.06 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.41 2b3j s ILE 29 Cb -0.02 -0.11 0.00 0.00 -1.58 0.00 0.00 42.46 40.75 2b3j s ILE 29 CO -0.03 0.01 -0.21 -0.63 -1.23 0.00 0.00 174.94 172.85 2b3j s ILE 30 N 0.13 1.82 0.26 2.92 1.01 -0.67 0.56 121.20 127.23 2b3j s ILE 30 Ca -0.01 -0.88 0.11 0.00 0.00 0.00 0.00 60.65 59.87 2b3j s ILE 30 Cb -0.02 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 2b3j s ILE 30 CO -0.00 0.51 -0.17 0.42 0.00 0.00 0.00 174.94 175.69 2b3j s THR 31 N 0.39 2.65 -0.15 2.92 -4.23 -0.10 -1.17 115.64 115.95 2b3j s THR 31 Ca -0.17 -2.22 -0.07 0.00 -1.18 0.00 0.00 61.69 58.05 2b3j s THR 31 Cb -0.17 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.36 2b3j s THR 31 CO 0.07 -0.32 0.33 -0.75 -0.54 0.00 0.00 174.62 173.41 2b3j s LYS 32 N -3.33 0.28 -1.43 3.99 2.20 -0.30 -0.94 119.74 120.22 2b3j s LYS 32 Ca 0.28 0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 56.51 2b3j s LYS 32 Cb -0.06 -0.01 0.04 0.00 -1.51 0.00 0.00 37.83 36.29 2b3j s LYS 32 CO 0.15 -0.19 1.11 -0.25 -0.36 0.00 0.00 175.35 175.80 2b3j n ASP 33 N 4.55 -5.71 -1.77 1.43 9.92 -1.26 -1.60 116.55 122.10 2b3j n ASP 33 Ca -0.20 -0.64 -0.21 0.00 -0.53 0.00 0.00 54.79 53.22 2b3j n ASP 33 Cb 0.53 -4.58 -0.07 0.00 -0.64 0.00 0.00 41.12 36.36 2b3j n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2b3j n ASP 34 N -2.95 -5.57 -4.16 -2.24 5.75 -1.26 -4.98 116.55 101.14 2b3j n ASP 34 Ca 0.02 0.37 -0.25 0.00 -0.01 0.00 0.00 54.79 54.92 2b3j n ASP 34 Cb 0.55 -4.80 -0.16 0.00 -1.03 0.00 0.00 41.12 35.68 2b3j n ASP 34 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2b3j s GLU 35 N -4.07 1.51 0.13 0.11 1.03 -0.63 -5.10 118.70 111.69 2b3j s GLU 35 Ca 0.00 -0.63 -0.31 0.00 0.03 0.00 0.00 54.97 54.07 2b3j s GLU 35 Cb 0.00 -1.42 -0.08 0.00 -0.80 0.00 0.00 34.13 31.82 2b3j s GLU 35 CO 0.00 0.35 1.39 0.08 -1.33 0.00 0.00 175.26 175.75 2b3j s VAL 36 N -0.31 3.22 0.00 1.83 1.01 -1.26 -1.15 120.40 123.74 2b3j s VAL 36 Ca 0.04 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2b3j s VAL 36 Cb -0.08 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2b3j s VAL 36 CO -0.00 0.08 0.00 2.30 0.00 0.00 0.00 175.10 177.48 2b3j n ILE 37 N 3.71 0.00 -3.56 2.22 -5.35 -0.32 -4.93 119.36 111.13 2b3j n ILE 37 Ca 0.11 -0.45 -0.17 0.00 -0.27 0.00 0.00 62.75 61.97 2b3j n ILE 37 Cb 0.42 0.99 -0.06 0.00 -1.74 0.00 0.00 39.64 39.24 2b3j n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2b3j s ALA 38 N -0.95 -1.76 -0.01 -1.28 0.00 -1.18 -4.67 121.76 111.91 2b3j s ALA 38 Ca 0.00 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 53.42 2b3j s ALA 38 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2b3j s ALA 38 CO 0.00 -0.36 0.11 1.03 0.00 0.00 0.00 175.76 176.54 2b3j s ARG 39 N -0.72 0.36 0.10 0.00 0.52 -1.26 -1.67 118.95 116.27 2b3j s ARG 39 Ca -0.08 -0.26 -0.27 0.00 -0.52 0.00 0.00 55.73 54.61 2b3j s ARG 39 Cb -0.02 0.15 0.08 0.00 0.52 0.00 0.00 34.95 35.68 2b3j s ARG 39 CO 0.07 -0.08 0.99 0.00 0.02 0.00 0.00 175.30 176.30 2b3j s ALA 40 N -0.96 -1.76 0.16 2.13 0.00 -0.86 -4.77 121.76 115.69 2b3j s ALA 40 Ca -0.10 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 2b3j s ALA 40 Cb -0.06 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2b3j s ALA 40 CO 0.01 -0.96 0.33 -3.38 0.00 0.00 0.00 175.76 171.76 2b3j s HIS 41 N -3.14 0.19 0.16 0.00 -3.43 -1.26 -0.55 115.29 107.25 2b3j s HIS 41 Ca 0.11 -0.55 -0.33 0.00 -0.80 0.00 0.00 55.06 53.48 2b3j s HIS 41 Cb -0.01 0.07 -0.16 0.00 -1.43 0.00 0.00 32.58 31.06 2b3j s HIS 41 CO -0.01 -0.73 1.16 -1.71 -2.00 0.00 0.00 174.74 171.44 2b3j n ASN 42 N -0.22 1.22 -0.80 7.38 5.15 -0.34 -4.23 115.26 123.42 2b3j n ASN 42 Ca -0.10 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 2b3j n ASN 42 Cb 0.63 -1.19 -0.00 0.00 -0.53 0.00 0.00 39.78 38.68 2b3j n ASN 42 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2b3j n LEU 43 N 2.04 0.11 0.03 1.20 4.77 -0.43 -4.73 117.00 119.98 2b3j n LEU 43 Ca 0.16 -1.37 -0.10 0.00 -0.03 0.00 0.00 56.01 54.67 2b3j n LEU 43 Cb 0.23 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2b3j n LEU 43 CO 0.61 0.64 0.79 -0.09 -1.33 0.00 0.00 177.39 178.01 2b3j h ARG 44 N 0.24 -0.15 -0.19 3.23 2.43 -1.77 0.48 114.38 118.63 2b3j h ARG 44 Ca -0.13 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.92 2b3j h ARG 44 Cb 1.43 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 2b3j h ARG 44 CO -0.01 -0.10 -0.44 0.93 -1.51 0.00 0.00 179.97 178.83 2b3j h GLU 45 N -0.16 0.46 -0.40 0.20 4.39 -1.92 0.41 114.58 117.56 2b3j h GLU 45 Ca 0.06 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 2b3j h GLU 45 Cb 0.24 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2b3j h GLU 45 CO -0.15 0.81 -0.07 1.15 -1.16 0.00 0.00 179.01 179.59 2b3j h THR 46 N 0.38 1.27 0.00 1.13 2.02 -1.87 -3.27 112.91 112.57 2b3j h THR 46 Ca 0.03 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2b3j h THR 46 Cb 0.92 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2b3j h THR 46 CO 0.08 0.38 -1.08 0.18 0.37 0.00 0.00 175.52 175.46 2b3j n LEU 47 N -4.36 0.87 -3.78 2.58 4.77 0.13 -4.98 117.00 112.22 2b3j n LEU 47 Ca -0.01 -0.41 -0.26 0.00 -0.03 0.00 0.00 56.01 55.29 2b3j n LEU 47 Cb 0.34 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2b3j n LEU 47 CO 0.42 0.21 0.11 0.00 -1.33 0.00 0.00 177.39 176.80 2b3j n GLN 48 N -1.59 -6.04 -4.85 3.23 1.13 0.14 -4.99 117.38 104.41 2b3j n GLN 48 Ca 0.03 0.67 -0.30 0.00 -1.94 0.00 0.00 57.00 55.46 2b3j n GLN 48 Cb 0.36 -5.54 -0.17 0.00 0.11 0.00 0.00 30.24 25.00 2b3j n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2b3j s GLN 49 N -6.36 2.70 0.43 -1.09 -1.52 -1.20 -5.02 119.66 107.60 2b3j s GLN 49 Ca 0.49 -0.75 0.30 0.00 -1.95 0.00 0.00 55.36 53.44 2b3j s GLN 49 Cb -0.24 -2.13 1.43 0.00 -0.22 0.00 0.00 33.01 31.85 2b3j s GLN 49 CO 0.80 0.06 1.90 -1.00 -0.25 0.00 0.00 175.29 176.80 2b3j h PRO 50 N 7.03 0.00 0.00 2.91 0.13 -1.94 -2.50 132.00 137.63 2b3j h PRO 50 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2b3j h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2b3j h PRO 50 CO 0.50 0.00 -0.56 0.25 -0.23 0.00 0.00 178.00 177.95 2b3j n THR 51 N -2.62 0.00 -0.35 1.56 -2.24 -1.26 -4.65 114.28 104.73 2b3j n THR 51 Ca -0.00 -0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2b3j n THR 51 Cb 0.16 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 2b3j n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b3j n ALA 52 N -1.50 2.93 -2.50 6.98 0.00 -0.94 -4.50 120.51 120.98 2b3j n ALA 52 Ca 0.05 -0.59 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 2b3j n ALA 52 Cb 0.34 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 2b3j n ALA 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2b3j s HIS 53 N 2.11 3.44 0.18 0.00 3.76 -1.26 -1.31 115.29 122.21 2b3j s HIS 53 Ca 0.21 0.75 -0.22 0.00 -0.15 0.00 0.00 55.06 55.66 2b3j s HIS 53 Cb 0.10 -2.17 0.10 0.00 1.11 0.00 0.00 32.58 31.73 2b3j s HIS 53 CO 0.00 0.30 1.59 0.00 -0.85 0.00 0.00 174.74 175.77 2b3j h ALA 54 N 2.48 -0.10 -0.54 -1.40 0.00 -1.84 -0.42 119.26 117.44 2b3j h ALA 54 Ca -0.47 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2b3j h ALA 54 Cb 1.17 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 2b3j h ALA 54 CO 0.70 -0.70 0.34 0.93 0.00 0.00 0.00 179.25 180.52 2b3j h GLU 55 N -0.19 0.72 -0.23 0.00 3.07 -1.90 -0.45 114.58 115.61 2b3j h GLU 55 Ca 0.21 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2b3j h GLU 55 Cb 0.55 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2b3j h GLU 55 CO -0.65 0.50 0.12 1.25 -1.40 0.00 0.00 179.01 178.83 2b3j h HIS 56 N 0.73 0.32 -0.67 4.33 2.76 -1.67 0.67 115.15 121.62 2b3j h HIS 56 Ca 0.20 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 2b3j h HIS 56 Cb -0.05 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 2b3j h HIS 56 CO -0.03 0.29 0.20 0.82 -1.30 0.00 0.00 177.93 177.92 2b3j h ILE 57 N 0.25 1.25 -0.41 6.26 2.04 -0.96 -2.12 117.51 123.83 2b3j h ILE 57 Ca 0.08 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 2b3j h ILE 57 Cb 0.09 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2b3j h ILE 57 CO -0.01 0.34 -0.04 0.00 0.00 0.00 0.00 178.15 178.43 2b3j h ALA 58 N 1.09 1.17 -0.23 1.87 0.00 -0.78 -1.52 119.26 120.85 2b3j h ALA 58 Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2b3j h ALA 58 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2b3j h ALA 58 CO -0.01 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.61 2b3j h ILE 59 N 0.63 1.25 -0.47 0.00 2.04 -0.51 0.13 117.51 120.58 2b3j h ILE 59 Ca 0.12 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2b3j h ILE 59 Cb 0.46 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2b3j h ILE 59 CO 0.02 0.27 0.07 -0.33 0.00 0.00 0.00 178.15 178.18 2b3j h GLU 60 N 0.18 0.73 -0.47 2.37 5.08 -1.24 -0.35 114.58 120.87 2b3j h GLU 60 Ca 0.07 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2b3j h GLU 60 Cb 0.39 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2b3j h GLU 60 CO 0.01 0.69 -0.16 0.00 -1.00 0.00 0.00 179.01 178.55 2b3j h ARG 61 N 0.70 0.93 -0.68 2.33 3.08 -1.04 -2.12 114.38 117.58 2b3j h ARG 61 Ca 0.15 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 2b3j h ARG 61 Cb 0.32 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2b3j h ARG 61 CO 0.00 1.04 0.14 0.00 -1.07 0.00 0.00 179.97 180.09 2b3j h ALA 62 N 0.87 0.97 -0.67 0.04 0.00 -0.57 -2.10 119.26 117.80 2b3j h ALA 62 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2b3j h ALA 62 Cb 0.72 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2b3j h ALA 62 CO 0.06 0.66 0.30 0.00 0.00 0.00 0.00 179.25 180.26 2b3j h ALA 63 N 1.11 1.27 -0.50 0.00 0.00 -0.90 -1.34 119.26 118.89 2b3j h ALA 63 Ca 0.21 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2b3j h ALA 63 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2b3j h ALA 63 CO 0.01 0.55 -0.16 -0.22 0.00 0.00 0.00 179.25 179.43 2b3j h LYS 64 N 0.95 1.00 -0.64 0.00 3.64 -1.05 0.48 116.57 120.95 2b3j h LYS 64 Ca 0.23 -0.40 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 2b3j h LYS 64 Cb 0.14 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2b3j h LYS 64 CO -0.03 1.08 0.26 0.28 -2.27 0.00 0.00 179.45 178.77 2b3j h VAL 65 N 0.86 1.24 0.00 2.00 2.07 -0.86 -2.96 116.25 118.59 2b3j h VAL 65 Ca 0.12 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2b3j h VAL 65 Cb 0.74 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2b3j h VAL 65 CO 0.06 0.29 -0.37 0.18 0.02 0.00 0.00 177.57 177.75 2b3j n LEU 66 N -4.42 0.41 -2.49 2.57 4.77 -0.55 -4.94 117.00 112.35 2b3j n LEU 66 Ca 0.04 0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 56.01 2b3j n LEU 66 Cb 0.17 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2b3j n LEU 66 CO 0.39 0.05 -0.18 0.61 -1.33 0.00 0.00 177.39 176.93 2b3j n GLY 67 N 1.47 -0.47 3.28 -0.72 0.00 0.13 -4.98 105.19 103.90 2b3j n GLY 67 Ca 0.06 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2b3j n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2b3j s SER 68 N -2.28 -0.39 0.00 1.61 0.15 -1.02 -5.02 113.70 106.74 2b3j s SER 68 Ca 0.09 0.72 0.30 0.00 0.70 0.00 0.00 55.95 57.76 2b3j s SER 68 Cb -0.04 0.75 1.46 0.00 -1.71 0.00 0.00 66.02 66.48 2b3j s SER 68 CO 0.11 -0.17 2.02 -2.67 1.20 0.00 0.00 173.24 173.73 2b3j n TRP 69 N 2.68 0.00 -3.44 3.44 4.27 -1.26 -4.50 117.44 118.62 2b3j n TRP 69 Ca -0.14 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.05 2b3j n TRP 69 Cb 0.57 -0.30 -0.10 0.00 -1.36 0.00 0.00 31.31 30.13 2b3j n TRP 69 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 2b3j s ARG 70 N -2.61 3.16 -1.23 -2.67 0.52 -1.26 -4.50 118.95 110.36 2b3j s ARG 70 Ca 0.27 -0.84 -0.05 0.00 -0.52 0.00 0.00 55.73 54.59 2b3j s ARG 70 Cb 0.20 -3.93 0.11 0.00 0.52 0.00 0.00 34.95 31.85 2b3j s ARG 70 CO 0.47 -0.68 2.45 1.28 0.02 0.00 0.00 175.30 178.84 2b3j n LEU 71 N 5.25 7.90 -4.77 2.53 4.32 0.27 -4.99 117.00 127.52 2b3j n LEU 71 Ca -0.10 -4.78 -0.39 0.00 -0.02 0.00 0.00 56.01 50.71 2b3j n LEU 71 Cb 0.48 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 2b3j n LEU 71 CO 0.41 2.03 0.95 -1.61 -1.22 0.00 0.00 177.39 177.95 2b3j s GLU 72 N -1.12 3.85 0.00 3.23 2.02 -1.26 -2.71 118.70 122.71 2b3j s GLU 72 Ca 0.55 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.67 2b3j s GLU 72 Cb 0.21 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.77 2b3j s GLU 72 CO -0.11 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.00 2b3j n GLY 73 N 0.64 0.31 3.88 -1.39 0.00 -1.26 -4.99 105.19 102.38 2b3j n GLY 73 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2b3j n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3j s THR 75 N -1.63 1.75 -0.20 0.00 2.01 -0.11 -3.46 115.64 114.00 2b3j s THR 75 Ca 0.40 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 2b3j s THR 75 Cb -0.12 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 2b3j s THR 75 CO 0.22 0.49 0.10 -0.22 -0.69 0.00 0.00 174.62 174.53 2b3j s LEU 76 N 0.48 4.02 -0.15 4.42 2.96 0.25 -0.92 118.68 129.73 2b3j s LEU 76 Ca -0.17 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2b3j s LEU 76 Cb -0.17 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2b3j s LEU 76 CO 0.07 0.16 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.82 2b3j s TYR 77 N 0.46 2.81 -0.02 5.38 2.02 0.19 0.37 117.35 128.57 2b3j s TYR 77 Ca 0.06 -0.80 -0.02 0.00 -0.37 0.00 0.00 57.07 55.93 2b3j s TYR 77 Cb -0.12 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2b3j s TYR 77 CO -0.00 -0.33 0.06 0.54 -1.57 0.00 0.00 175.55 174.25 2b3j s VAL 78 N 0.61 0.02 -0.14 0.71 0.11 -0.60 0.07 120.40 121.17 2b3j s VAL 78 Ca -0.08 -0.13 0.30 0.00 -2.93 0.00 0.00 61.98 59.14 2b3j s VAL 78 Cb -0.16 -0.14 0.35 0.00 -1.53 0.00 0.00 36.38 34.91 2b3j s VAL 78 CO 0.03 -0.07 1.87 0.71 -3.33 0.00 0.00 175.10 174.30 2b3j h THR 79 N 4.96 0.00 -3.98 5.04 1.35 -1.65 -1.75 112.91 116.88 2b3j h THR 79 Ca -0.26 -0.49 -0.35 0.00 -0.55 0.00 0.00 66.41 64.76 2b3j h THR 79 Cb 1.21 1.43 -0.25 0.00 -1.73 0.00 0.00 68.15 68.80 2b3j h THR 79 CO 0.46 0.00 -0.76 -0.22 -0.25 0.00 0.00 175.52 174.75 2b3j s LEU 80 N -5.68 2.13 0.08 3.87 2.96 -1.26 -2.01 118.68 118.78 2b3j s LEU 80 Ca 0.03 -0.35 -0.36 0.00 -0.22 0.00 0.00 54.13 53.23 2b3j s LEU 80 Cb 0.09 -0.36 -0.15 0.00 0.50 0.00 0.00 46.19 46.27 2b3j s LEU 80 CO 0.52 -0.02 1.50 1.21 -1.32 0.00 0.00 176.35 178.25 2b3j n GLU 81 N 2.17 1.64 -1.71 1.98 2.13 -0.54 -4.81 120.64 121.50 2b3j n GLU 81 Ca -0.17 0.59 -0.42 0.00 0.66 0.00 0.00 57.16 57.81 2b3j n GLU 81 Cb 0.56 -2.31 -0.01 0.00 0.27 0.00 0.00 31.44 29.96 2b3j n GLU 81 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2b3j n PRO 82 N 3.38 2.24 -1.30 5.31 -0.02 -1.26 -4.73 135.00 138.62 2b3j n PRO 82 Ca 0.19 0.79 -0.22 0.00 -2.02 0.00 0.00 63.50 62.24 2b3j n PRO 82 Cb 0.23 -2.41 0.16 0.00 -0.02 0.00 0.00 33.50 31.46 2b3j n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b3j h VAL 84 N -1.70 0.97 -0.14 0.00 3.04 -1.91 0.14 116.25 116.65 2b3j h VAL 84 Ca -0.31 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2b3j h VAL 84 Cb 0.88 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2b3j h VAL 84 CO 0.22 0.09 0.04 -0.03 -1.01 0.00 0.00 177.57 176.88 2b3j h MET 85 N 0.50 0.22 -0.16 4.17 1.85 -1.96 -1.84 114.93 117.70 2b3j h MET 85 Ca 0.22 -0.05 -0.14 0.00 -0.61 0.00 0.00 59.70 59.12 2b3j h MET 85 Cb 0.12 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 2b3j h MET 85 CO -0.15 0.35 -0.51 0.00 -0.40 0.00 0.00 176.91 176.20 2b3j h ALA 87 N 1.10 0.82 -0.70 0.00 0.00 -0.70 -0.44 119.26 119.35 2b3j h ALA 87 Ca 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2b3j h ALA 87 Cb 1.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2b3j h ALA 87 CO 0.09 0.39 0.26 0.78 0.00 0.00 0.00 179.25 180.77 2b3j h GLY 88 N 0.87 1.14 1.48 0.00 0.00 -1.06 -2.25 103.07 103.25 2b3j h GLY 88 Ca 0.22 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 2b3j h GLY 88 CO -0.03 0.60 -0.03 -0.84 0.00 0.00 0.00 176.54 176.24 2b3j h THR 89 N 1.01 1.23 -0.62 4.70 2.02 -0.73 -1.04 112.91 119.47 2b3j h THR 89 Ca 0.23 -0.95 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 2b3j h THR 89 Cb 0.24 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2b3j h THR 89 CO -0.02 0.32 0.08 0.40 0.37 0.00 0.00 175.52 176.68 2b3j h ILE 90 N 0.60 1.26 -0.44 3.11 2.04 -0.83 -1.52 117.51 121.72 2b3j h ILE 90 Ca 0.12 -1.03 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 2b3j h ILE 90 Cb 0.43 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2b3j h ILE 90 CO 0.02 0.38 -0.10 0.58 0.00 0.00 0.00 178.15 179.03 2b3j h VAL 91 N 0.96 1.27 0.00 1.67 2.07 -0.82 -2.16 116.25 119.24 2b3j h VAL 91 Ca 0.19 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2b3j h VAL 91 Cb 0.44 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2b3j h VAL 91 CO 0.01 0.41 0.00 0.24 0.02 0.00 0.00 177.57 178.26 2b3j h MET 92 N 0.68 0.00 -0.02 1.57 2.86 -1.00 -2.66 114.93 116.37 2b3j h MET 92 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2b3j h MET 92 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2b3j h MET 92 CO 0.04 0.00 -0.08 -1.13 1.06 0.00 0.00 176.91 176.80 2b3j n SER 93 N -2.56 2.64 -3.90 1.22 3.41 -0.59 -4.89 113.62 108.94 2b3j n SER 93 Ca 0.03 -1.82 -0.30 0.00 -0.26 0.00 0.00 58.87 56.52 2b3j n SER 93 Cb 0.35 0.09 0.03 0.00 -0.26 0.00 0.00 64.21 64.42 2b3j n SER 93 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2b3j n ARG 94 N 0.98 -5.66 -2.06 4.33 1.74 -0.84 -0.56 116.66 114.60 2b3j n ARG 94 Ca 0.12 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 2b3j n ARG 94 Cb 0.52 -5.51 -0.03 0.00 -1.02 0.00 0.00 32.46 26.42 2b3j n ARG 94 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2b3j s ILE 95 N -3.30 3.08 -0.21 0.55 1.01 -1.07 -4.49 121.20 116.76 2b3j s ILE 95 Ca 0.67 0.71 0.24 0.00 0.00 0.00 0.00 60.65 62.27 2b3j s ILE 95 Cb -0.33 -3.46 0.29 0.00 0.01 0.00 0.00 42.46 38.97 2b3j s ILE 95 CO 0.82 0.04 1.68 1.55 0.00 0.00 0.00 174.94 179.03 2b3j h PRO 96 N 7.20 0.00 -3.11 2.79 0.13 -1.77 -3.42 132.00 133.83 2b3j h PRO 96 Ca -0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 2b3j h PRO 96 Cb 1.20 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 2b3j h PRO 96 CO 0.90 0.12 -0.50 0.50 -0.23 0.00 0.00 178.00 178.78 2b3j s ARG 97 N -3.30 0.19 -0.09 0.86 3.52 -1.22 -1.03 118.95 117.87 2b3j s ARG 97 Ca 0.05 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 56.13 2b3j s ARG 97 Cb 0.07 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 2b3j s ARG 97 CO 0.66 -0.14 -0.20 0.08 -0.81 0.00 0.00 175.30 174.89 2b3j s VAL 98 N 1.01 1.77 -0.18 7.11 1.01 0.16 -0.59 120.40 130.70 2b3j s VAL 98 Ca -0.07 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2b3j s VAL 98 Cb -0.09 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2b3j s VAL 98 CO -0.06 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.69 2b3j s VAL 99 N 0.49 1.78 0.18 2.92 1.01 0.16 -0.97 120.40 125.97 2b3j s VAL 99 Ca -0.17 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.01 2b3j s VAL 99 Cb -0.17 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2b3j s VAL 99 CO 0.06 0.38 -0.17 -0.72 0.00 0.00 0.00 175.10 174.65 2b3j s TYR 100 N 1.38 1.82 0.00 5.22 -0.85 -0.23 -1.55 117.35 123.14 2b3j s TYR 100 Ca 0.03 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 2b3j s TYR 100 Cb -0.14 -0.88 0.00 0.00 0.38 0.00 0.00 41.96 41.32 2b3j s TYR 100 CO -0.10 0.36 0.00 0.41 -1.52 0.00 0.00 175.55 174.70 2b3j n GLY 101 N 0.06 1.56 3.86 5.49 0.00 -0.66 -1.39 105.19 114.12 2b3j n GLY 101 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2b3j n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3j s ALA 102 N -4.09 3.54 0.65 4.61 0.00 -0.85 -2.20 121.76 123.42 2b3j s ALA 102 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2b3j s ALA 102 Cb 0.00 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2b3j s ALA 102 CO 0.00 0.47 1.05 -0.51 0.00 0.00 0.00 175.76 176.77 2b3j s ASP 103 N -2.17 5.87 -0.43 0.00 1.01 -1.26 -1.47 116.67 118.22 2b3j s ASP 103 Ca 0.46 1.43 0.03 0.00 0.71 0.00 0.00 52.55 55.18 2b3j s ASP 103 Cb -0.12 -2.40 0.12 0.00 1.01 0.00 0.00 42.92 41.53 2b3j s ASP 103 CO 0.20 -1.11 0.19 -0.62 0.21 0.00 0.00 175.17 174.05 2b3j s ASP 104 N -4.09 4.10 0.50 0.27 -1.08 -1.26 -4.72 116.67 110.39 2b3j s ASP 104 Ca 0.56 -2.53 0.16 0.00 -0.52 0.00 0.00 52.55 50.23 2b3j s ASP 104 Cb -0.12 -1.30 1.22 0.00 -1.46 0.00 0.00 42.92 41.25 2b3j s ASP 104 CO 0.54 -0.30 2.11 -0.65 0.52 0.00 0.00 175.17 177.40 2b3j h PRO 105 N 7.00 0.00 0.14 4.34 0.11 -1.96 0.27 132.00 141.89 2b3j h PRO 105 Ca -0.06 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.71 2b3j h PRO 105 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2b3j h PRO 105 CO 0.55 0.05 -1.81 0.87 -0.21 0.00 0.00 178.00 177.45 2b3j h LYS 106 N 0.00 0.29 0.00 1.05 6.56 -1.99 -3.43 116.57 119.04 2b3j h LYS 106 Ca -0.00 -0.49 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2b3j h LYS 106 Cb 0.08 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 2b3j h LYS 106 CO 0.01 1.17 0.00 0.41 -2.06 0.00 0.00 179.45 178.98 2b3j n GLY 107 N 1.85 -0.21 3.72 3.86 0.00 -1.21 -4.97 105.19 108.24 2b3j n GLY 107 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2b3j n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b3j s GLY 108 N -0.15 1.75 -0.19 -0.02 0.00 0.93 -4.25 107.32 105.40 2b3j s GLY 108 Ca 0.00 1.36 0.13 0.00 0.00 0.00 0.00 44.72 46.21 2b3j s GLY 108 CO 0.00 2.55 1.20 0.00 0.00 0.00 0.00 173.10 176.85 2b3j n SER 110 N -1.17 2.99 0.00 0.00 7.64 -1.06 -1.38 113.62 120.64 2b3j n SER 110 Ca 0.18 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.80 2b3j n SER 110 Cb 0.68 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2b3j n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b3j n GLY 111 N -0.66 2.27 0.00 0.23 0.00 0.10 -4.86 105.19 102.26 2b3j n GLY 111 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2b3j n GLY 111 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b3j n SER 112 N 0.00 0.00 0.11 1.61 7.64 -1.25 -4.48 113.62 117.25 2b3j n SER 112 Ca 0.00 0.23 -0.04 0.00 1.01 0.00 0.00 58.87 60.07 2b3j n SER 112 Cb 0.00 -0.25 0.11 0.00 -1.01 0.00 0.00 64.21 63.07 2b3j n SER 112 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2b3j h LEU 113 N 0.00 0.10 -7.63 -3.43 3.38 -1.36 -3.48 115.31 102.89 2b3j h LEU 113 Ca 0.00 -0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.18 2b3j h LEU 113 Cb 0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 2b3j h LEU 113 CO 0.00 0.74 0.74 0.00 0.09 0.00 0.00 178.44 180.01 2b3j s MET 114 N -3.53 0.72 -0.41 1.13 0.23 -1.25 -5.06 119.30 111.13 2b3j s MET 114 Ca -0.02 -0.43 0.01 0.00 -1.03 0.00 0.00 55.69 54.22 2b3j s MET 114 Cb 0.12 0.22 0.13 0.00 -1.53 0.00 0.00 34.83 33.77 2b3j s MET 114 CO 0.78 -0.33 0.22 1.21 -2.03 0.00 0.00 175.02 174.87 2b3j s ASN 115 N -3.27 3.55 0.00 -1.18 3.84 -1.26 0.00 114.94 116.62 2b3j s ASN 115 Ca 0.19 -2.45 0.18 0.00 0.21 0.00 0.00 52.86 50.99 2b3j s ASN 115 Cb 0.01 -0.89 0.85 0.00 -0.55 0.00 0.00 41.25 40.67 2b3j s ASN 115 CO -0.00 -0.29 1.56 0.18 -2.79 0.00 0.00 177.10 175.76 2b3j n LEU 116 N 3.76 0.00 -0.16 3.21 4.77 -0.48 -2.30 117.00 125.80 2b3j n LEU 116 Ca 0.08 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 2b3j n LEU 116 Cb 0.36 -0.38 0.38 0.00 -2.33 0.00 0.00 43.42 41.45 2b3j n LEU 116 CO 0.21 -0.15 0.64 0.18 -1.33 0.00 0.00 177.39 176.94 2b3j n LEU 117 N -1.38 0.78 -2.66 2.23 4.77 -1.26 -4.14 117.00 115.34 2b3j n LEU 117 Ca 0.07 -0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 2b3j n LEU 117 Cb 0.17 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2b3j n LEU 117 CO 0.15 0.15 -0.03 0.00 -1.33 0.00 0.00 177.39 176.33 2b3j n GLN 118 N -0.94 1.85 -3.38 3.23 1.13 -0.97 -0.68 117.38 117.61 2b3j n GLN 118 Ca 0.11 -3.67 -0.41 0.00 -1.94 0.00 0.00 57.00 51.08 2b3j n GLN 118 Cb 0.33 -1.60 -0.09 0.00 0.11 0.00 0.00 30.24 28.99 2b3j n GLN 118 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2b3j s GLN 119 N -3.19 3.44 0.58 -1.09 -1.52 -1.25 -4.96 119.66 111.66 2b3j s GLN 119 Ca 0.35 -0.51 0.27 0.00 -1.95 0.00 0.00 55.36 53.52 2b3j s GLN 119 Cb 0.43 -3.85 1.67 0.00 -0.22 0.00 0.00 33.01 31.04 2b3j s GLN 119 CO -0.04 -0.61 2.18 0.66 -0.25 0.00 0.00 175.29 177.23 2b3j h SER 120 N 8.53 0.00 0.77 5.90 4.64 -1.96 -0.96 113.55 130.47 2b3j h SER 120 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2b3j h SER 120 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2b3j h SER 120 CO 0.72 0.00 -0.14 0.59 -0.87 0.00 0.00 176.83 177.13 2b3j n ASN 121 N -3.96 0.18 -4.88 4.97 3.02 -1.26 -4.86 115.26 108.47 2b3j n ASN 121 Ca -0.01 0.15 -0.30 0.00 -0.03 0.00 0.00 54.58 54.39 2b3j n ASN 121 Cb 0.19 -0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 2b3j n ASN 121 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2b3j s PHE 122 N -2.91 3.46 -2.03 3.10 0.40 -0.37 -4.97 117.98 114.65 2b3j s PHE 122 Ca 0.16 0.96 0.17 0.00 -0.60 0.00 0.00 56.93 57.62 2b3j s PHE 122 Cb 0.19 -2.36 0.94 0.00 0.51 0.00 0.00 43.02 42.30 2b3j s PHE 122 CO 0.56 -0.01 1.62 0.27 0.70 0.00 0.00 175.22 178.36 2b3j n ASN 123 N -1.08 0.23 -3.68 1.36 6.94 -1.26 -4.76 115.26 113.01 2b3j n ASN 123 Ca 0.01 -1.52 -0.10 0.00 -0.02 0.00 0.00 54.58 52.95 2b3j n ASN 123 Cb 0.54 -0.02 -0.09 0.00 -2.36 0.00 0.00 39.78 37.85 2b3j n ASN 123 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2b3j s HIS 124 N -1.97 -0.74 0.06 -2.53 5.04 -1.26 -5.15 115.29 108.74 2b3j s HIS 124 Ca 0.26 1.61 0.05 0.00 -1.54 0.00 0.00 55.06 55.44 2b3j s HIS 124 Cb 0.12 0.36 -0.03 0.00 0.04 0.00 0.00 32.58 33.07 2b3j s HIS 124 CO 0.20 -0.38 -0.15 1.03 -2.34 0.00 0.00 174.74 173.10 2b3j s ARG 125 N 1.09 0.87 0.29 2.88 3.00 -1.26 -4.72 118.95 121.11 2b3j s ARG 125 Ca -0.06 -0.92 0.11 0.00 0.00 0.00 0.00 55.73 54.86 2b3j s ARG 125 Cb -0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 34.95 33.94 2b3j s ARG 125 CO -0.10 0.21 -0.17 0.00 0.00 0.00 0.00 175.30 175.23 2b3j s ALA 126 N -1.15 2.78 0.14 2.13 0.00 0.15 -4.89 121.76 120.92 2b3j s ALA 126 Ca -0.00 -1.92 -0.30 0.00 0.00 0.00 0.00 51.96 49.73 2b3j s ALA 126 Cb -0.09 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.75 2b3j s ALA 126 CO 0.02 0.23 1.02 0.42 0.00 0.00 0.00 175.76 177.45 2b3j s ILE 127 N -2.54 4.21 -0.18 0.00 1.01 -0.20 -4.74 121.20 118.75 2b3j s ILE 127 Ca 0.30 1.87 0.00 0.00 0.00 0.00 0.00 60.65 62.83 2b3j s ILE 127 Cb -0.03 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.29 2b3j s ILE 127 CO 0.15 0.30 -0.09 -0.69 0.00 0.00 0.00 174.94 174.61 2b3j s VAL 128 N -0.11 1.50 -0.13 2.92 1.01 -1.26 -0.66 120.40 123.66 2b3j s VAL 128 Ca 0.48 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2b3j s VAL 128 Cb -0.26 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2b3j s VAL 128 CO 0.32 0.19 -0.16 -1.81 0.00 0.00 0.00 175.10 173.64 2b3j s ASP 129 N 1.47 3.69 0.38 3.32 1.01 -0.14 -5.01 116.67 121.37 2b3j s ASP 129 Ca -0.00 -0.42 0.08 0.00 0.71 0.00 0.00 52.55 52.92 2b3j s ASP 129 Cb -0.16 -1.55 -0.07 0.00 1.01 0.00 0.00 42.92 42.16 2b3j s ASP 129 CO -0.08 0.14 -0.03 -1.59 0.21 0.00 0.00 175.17 173.82 2b3j s LYS 130 N 0.48 1.92 0.00 8.23 -2.85 -1.26 -1.06 119.74 125.19 2b3j s LYS 130 Ca -0.11 -1.99 0.00 0.00 -1.00 0.00 0.00 55.97 52.86 2b3j s LYS 130 Cb -0.16 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 2b3j s LYS 130 CO 0.05 0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.96 2b3j n GLY 131 N -0.90 0.77 3.66 0.59 0.00 -0.49 -4.91 105.19 103.91 2b3j n GLY 131 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2b3j n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b3j s VAL 132 N -2.78 4.22 -1.46 1.61 1.01 -1.21 -2.64 120.40 119.15 2b3j s VAL 132 Ca 0.00 1.49 -0.09 0.00 0.00 0.00 0.00 61.98 63.38 2b3j s VAL 132 Cb 0.00 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.46 2b3j s VAL 132 CO 0.00 -0.11 0.86 0.18 0.00 0.00 0.00 175.10 176.03 2b3j n LEU 133 N 6.45 -2.68 -0.17 3.92 4.32 -1.26 -4.12 117.00 123.46 2b3j n LEU 133 Ca 0.14 -0.51 -0.02 0.00 -0.02 0.00 0.00 56.01 55.60 2b3j n LEU 133 Cb 0.45 -2.75 0.08 0.00 -1.62 0.00 0.00 43.42 39.58 2b3j n LEU 133 CO 0.56 0.41 0.96 0.50 -1.22 0.00 0.00 177.39 178.60 2b3j h LYS 134 N -1.90 0.34 -0.17 3.23 3.64 -1.72 -1.22 116.57 118.78 2b3j h LYS 134 Ca -0.54 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2b3j h LYS 134 Cb 1.36 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2b3j h LYS 134 CO 0.59 0.22 0.09 0.93 -2.27 0.00 0.00 179.45 179.02 2b3j h GLU 135 N 0.35 0.23 -0.54 1.90 5.08 -1.90 0.23 114.58 119.94 2b3j h GLU 135 Ca 0.26 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2b3j h GLU 135 Cb 0.31 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2b3j h GLU 135 CO -0.28 0.23 0.25 0.00 -1.00 0.00 0.00 179.01 178.21 2b3j h ALA 136 N 0.99 0.69 -0.56 3.43 0.00 -1.90 0.55 119.26 122.46 2b3j h ALA 136 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2b3j h ALA 136 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2b3j h ALA 136 CO -0.01 0.27 0.17 0.00 0.00 0.00 0.00 179.25 179.68 2b3j h SER 138 N 0.79 0.54 -0.41 0.00 0.87 -0.81 -3.02 113.55 111.51 2b3j h SER 138 Ca 0.18 -0.35 0.05 0.00 -1.23 0.00 0.00 61.79 60.44 2b3j h SER 138 Cb 0.29 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2b3j h SER 138 CO -0.00 0.77 0.28 0.74 -0.53 0.00 0.00 176.83 178.08 2b3j h THR 139 N 0.31 0.97 -0.00 2.23 2.02 -0.74 -2.24 112.91 115.45 2b3j h THR 139 Ca 0.07 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2b3j h THR 139 Cb 0.52 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2b3j h THR 139 CO 0.03 0.06 -0.15 -0.07 0.37 0.00 0.00 175.52 175.75 2b3j h LEU 140 N 0.34 -0.45 -0.07 2.58 3.38 -1.27 -0.23 115.31 119.60 2b3j h LEU 140 Ca 0.18 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2b3j h LEU 140 Cb 0.28 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2b3j h LEU 140 CO -0.04 -0.21 -0.02 -0.07 0.09 0.00 0.00 178.44 178.19 2b3j h LEU 141 N -0.25 0.13 0.04 1.67 4.07 -1.51 -1.59 115.31 117.87 2b3j h LEU 141 Ca 0.05 -0.37 0.02 0.00 0.08 0.00 0.00 57.88 57.65 2b3j h LEU 141 Cb 0.32 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2b3j h LEU 141 CO -0.15 0.48 -0.13 0.74 -1.08 0.00 0.00 178.44 178.29 2b3j h THR 142 N -0.21 0.68 -0.95 0.22 2.02 -1.40 -1.63 112.91 111.64 2b3j h THR 142 Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.22 2b3j h THR 142 Cb 0.42 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 2b3j h THR 142 CO 0.01 0.00 0.63 0.74 0.37 0.00 0.00 175.52 177.27 2b3j h THR 143 N -0.24 1.21 0.42 3.16 2.02 -1.08 -0.91 112.91 117.48 2b3j h THR 143 Ca 0.03 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2b3j h THR 143 Cb 0.28 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2b3j h THR 143 CO -0.10 0.23 -0.31 0.15 0.37 0.00 0.00 175.52 175.85 2b3j h PHE 144 N 1.25 -0.82 -0.03 3.16 3.57 -0.71 -1.71 116.94 121.64 2b3j h PHE 144 Ca 0.36 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 2b3j h PHE 144 Cb -0.07 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2b3j h PHE 144 CO -0.00 -0.46 -0.47 0.74 -2.23 0.00 0.00 178.31 175.89 2b3j h PHE 145 N -0.72 0.09 -0.81 0.41 0.04 -1.16 -2.07 116.94 112.73 2b3j h PHE 145 Ca -0.04 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2b3j h PHE 145 Cb 0.61 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.71 2b3j h PHE 145 CO -0.14 0.53 0.39 0.87 -0.60 0.00 0.00 178.31 179.37 2b3j h LYS 146 N 0.06 1.16 -0.49 1.51 6.56 -1.02 -1.73 116.57 122.62 2b3j h LYS 146 Ca 0.00 -0.17 -0.07 0.00 -1.06 0.00 0.00 60.65 59.35 2b3j h LYS 146 Cb 0.85 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 2b3j h LYS 146 CO 0.06 0.89 0.01 -0.91 -2.06 0.00 0.00 179.45 177.45 2b3j h ASN 147 N 1.14 0.83 0.52 0.86 4.21 -0.95 -1.45 115.58 120.74 2b3j h ASN 147 Ca 0.28 -0.30 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 2b3j h ASN 147 Cb 0.11 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 2b3j h ASN 147 CO -0.04 0.93 -0.45 -0.07 -1.29 0.00 0.00 177.43 176.51 2b3j h LEU 148 N 0.71 -1.21 -0.39 1.61 3.38 -0.97 -1.01 115.31 117.43 2b3j h LEU 148 Ca 0.14 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.28 2b3j h LEU 148 Cb 0.49 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 2b3j h LEU 148 CO 0.02 -0.63 -0.10 0.03 0.09 0.00 0.00 178.44 177.85 2b3j h ARG 149 N -0.96 -0.00 -0.91 1.13 3.08 -1.33 -1.47 114.38 113.92 2b3j h ARG 149 Ca -0.06 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.13 2b3j h ARG 149 Cb 0.82 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.78 2b3j h ARG 149 CO -0.03 -0.00 0.53 0.00 -1.07 0.00 0.00 179.97 179.40 2b3j h ALA 150 N 1.39 1.40 -0.09 0.04 0.00 -1.02 -0.57 119.26 120.41 2b3j h ALA 150 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2b3j h ALA 150 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2b3j h ALA 150 CO -0.41 0.03 0.00 0.09 0.00 0.00 0.00 179.25 178.96 2b3j n ASN 151 N -4.77 1.53 0.00 0.00 3.02 -0.40 -5.09 115.26 109.55 2b3j n ASN 151 Ca 0.18 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2b3j n ASN 151 Cb 0.42 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2b3j n ASN 151 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93