#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3j s THR 2 N 0.00 2.32 0.11 1.12 -4.23 -1.26 -5.03 115.64 108.67 2b3j s THR 2 Ca 0.00 -2.20 -0.20 0.00 -1.18 0.00 0.00 61.69 58.11 2b3j s THR 2 Cb 0.00 -2.62 -0.07 0.00 1.34 0.00 0.00 72.50 71.14 2b3j s THR 2 CO 0.00 -0.23 1.73 0.78 -0.54 0.00 0.00 174.62 176.37 2b3j h ASN 3 N 2.03 0.24 -0.70 3.99 -0.26 -2.04 0.67 115.58 119.52 2b3j h ASN 3 Ca -0.42 -0.05 0.15 0.00 -0.56 0.00 0.00 56.30 55.42 2b3j h ASN 3 Cb 1.25 -0.06 -0.11 0.00 -1.06 0.00 0.00 38.32 38.34 2b3j h ASN 3 CO 0.69 0.23 0.14 0.44 -1.06 0.00 0.00 177.43 177.86 2b3j h ASP 4 N 0.24 -0.05 -0.25 5.81 3.32 -1.99 0.41 116.42 123.91 2b3j h ASP 4 Ca 0.07 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 2b3j h ASP 4 Cb 0.03 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2b3j h ASP 4 CO -0.01 -0.05 -0.05 0.40 -1.72 0.00 0.00 179.24 177.81 2b3j h ILE 5 N 0.24 1.28 0.25 0.35 5.03 -1.87 -1.84 117.51 120.93 2b3j h ILE 5 Ca 0.39 -1.04 0.01 0.00 -0.12 0.00 0.00 64.86 64.10 2b3j h ILE 5 Cb 0.64 1.44 -0.03 0.00 -3.03 0.00 0.00 36.82 35.84 2b3j h ILE 5 CO -0.50 0.32 -0.38 0.22 -0.68 0.00 0.00 178.15 177.14 2b3j h TYR 6 N 0.23 -1.03 -0.56 1.37 3.20 0.96 -1.18 116.97 119.96 2b3j h TYR 6 Ca 0.07 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.96 2b3j h TYR 6 Cb 0.50 0.42 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 2b3j h TYR 6 CO 0.05 -0.50 0.37 0.74 -1.64 0.00 0.00 178.16 177.18 2b3j h PHE 7 N -0.69 0.70 -0.40 -3.82 0.04 -0.30 -1.46 116.94 111.01 2b3j h PHE 7 Ca -0.00 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 2b3j h PHE 7 Cb 0.66 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 2b3j h PHE 7 CO -0.27 0.44 0.00 1.98 -0.60 0.00 0.00 178.31 179.86 2b3j h MET 8 N 0.75 0.63 -0.47 1.51 4.05 -0.75 -0.80 114.93 119.86 2b3j h MET 8 Ca 0.21 -0.15 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 2b3j h MET 8 Cb -0.07 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 2b3j h MET 8 CO -0.05 0.65 0.09 1.79 0.23 0.00 0.00 176.91 179.62 2b3j h THR 9 N 0.60 1.21 -0.07 -0.77 1.35 -0.16 0.80 112.91 115.87 2b3j h THR 9 Ca 0.12 -0.79 -0.08 0.00 -0.55 0.00 0.00 66.41 65.12 2b3j h THR 9 Cb 0.38 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 2b3j h THR 9 CO 0.01 0.29 -0.31 -0.07 -0.25 0.00 0.00 175.52 175.19 2b3j h LEU 10 N 0.69 0.13 -0.41 3.87 4.07 -0.86 -0.79 115.31 122.02 2b3j h LEU 10 Ca 0.15 -0.04 -0.18 0.00 0.08 0.00 0.00 57.88 57.89 2b3j h LEU 10 Cb 0.30 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 2b3j h LEU 10 CO 0.00 0.44 -0.72 0.00 -1.08 0.00 0.00 178.44 177.08 2b3j h ALA 11 N 1.57 0.60 -0.18 1.53 0.00 0.17 -2.54 119.26 120.40 2b3j h ALA 11 Ca 0.02 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 2b3j h ALA 11 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2b3j h ALA 11 CO 0.04 0.76 -0.32 0.82 0.00 0.00 0.00 179.25 180.56 2b3j h ILE 12 N 0.28 1.28 -0.70 0.00 2.04 -0.30 -0.38 117.51 119.73 2b3j h ILE 12 Ca -0.03 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 2b3j h ILE 12 Cb 1.29 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 2b3j h ILE 12 CO 0.12 0.41 0.27 -0.33 0.00 0.00 0.00 178.15 178.63 2b3j h GLU 13 N 0.31 1.04 -0.62 2.37 4.39 -0.91 -0.14 114.58 121.03 2b3j h GLU 13 Ca 0.04 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 2b3j h GLU 13 Cb 0.72 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2b3j h GLU 13 CO 0.05 0.87 0.13 0.93 -1.16 0.00 0.00 179.01 179.83 2b3j h GLU 14 N 0.99 1.01 -0.65 2.33 4.39 -1.00 -2.37 114.58 119.29 2b3j h GLU 14 Ca 0.23 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2b3j h GLU 14 Cb 0.22 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2b3j h GLU 14 CO -0.02 0.93 0.42 0.00 -1.16 0.00 0.00 179.01 179.17 2b3j h ALA 15 N 1.04 1.52 -0.28 3.43 0.00 -0.45 -1.88 119.26 122.63 2b3j h ALA 15 Ca 0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2b3j h ALA 15 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2b3j h ALA 15 CO 0.01 0.44 -0.29 0.87 0.00 0.00 0.00 179.25 180.27 2b3j h LYS 16 N 0.88 0.58 -0.52 0.00 1.57 -0.55 -1.86 116.57 116.66 2b3j h LYS 16 Ca 0.24 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2b3j h LYS 16 Cb -0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2b3j h LYS 16 CO -0.05 0.80 0.28 0.87 -0.57 0.00 0.00 179.45 180.79 2b3j h LYS 17 N 0.50 0.73 -0.91 3.15 1.57 -0.88 -0.80 116.57 119.92 2b3j h LYS 17 Ca 0.06 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2b3j h LYS 17 Cb 0.75 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 2b3j h LYS 17 CO 0.06 0.57 0.59 0.00 -0.57 0.00 0.00 179.45 180.10 2b3j h ALA 18 N 1.12 1.21 -0.40 3.86 0.00 -1.11 -0.49 119.26 123.46 2b3j h ALA 18 Ca 0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2b3j h ALA 18 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2b3j h ALA 18 CO -0.03 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.71 2b3j h ALA 19 N 1.38 1.35 0.00 0.00 0.00 -0.62 0.31 119.26 121.68 2b3j h ALA 19 Ca 0.37 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2b3j h ALA 19 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2b3j h ALA 19 CO -0.13 0.46 -0.36 1.96 0.00 0.00 0.00 179.25 181.18 2b3j h GLN 20 N 0.59 0.00 -0.00 0.00 4.20 0.30 -2.52 115.11 117.67 2b3j h GLN 20 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2b3j h GLN 20 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2b3j h GLN 20 CO 0.00 0.36 -0.16 1.28 -0.67 0.00 0.00 178.83 179.65 2b3j n LEU 21 N -3.74 0.59 0.00 1.46 4.77 -0.62 -4.91 117.00 114.55 2b3j n LEU 21 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2b3j n LEU 21 Cb 0.45 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2b3j n LEU 21 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2b3j n GLY 22 N 1.31 0.66 3.98 -0.72 0.00 -0.93 -4.96 105.19 104.54 2b3j n GLY 22 Ca 0.13 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.84 3.26 0.10 1.61 0.41 0.02 -5.01 118.70 118.26 2b3j s GLU 23 Ca 0.00 -0.86 -0.31 0.00 -0.41 0.00 0.00 54.97 53.39 2b3j s GLU 23 Cb 0.00 -2.83 -0.10 0.00 -1.78 0.00 0.00 34.13 29.42 2b3j s GLU 23 CO 0.00 0.20 1.87 0.08 -0.49 0.00 0.00 175.26 176.92 2b3j s VAL 24 N -2.12 2.65 -1.09 2.63 1.01 -1.26 -3.87 120.40 118.35 2b3j s VAL 24 Ca 0.41 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 2b3j s VAL 24 Cb -0.09 -3.02 -0.18 0.00 0.00 0.00 0.00 36.38 33.09 2b3j s VAL 24 CO 0.31 -0.00 2.08 -2.16 0.00 0.00 0.00 175.10 175.33 2b3j s PRO 25 N 3.20 1.59 -0.05 2.72 0.04 -1.26 -4.61 135.00 136.63 2b3j s PRO 25 Ca 0.83 -0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.31 2b3j s PRO 25 Cb -0.45 -5.04 0.02 0.00 0.04 0.00 0.00 34.50 29.07 2b3j s PRO 25 CO 0.38 -4.98 -0.05 0.42 0.04 0.00 0.00 177.00 172.81 2b3j s ILE 26 N 15.11 0.61 0.17 0.56 1.01 -1.26 -4.66 121.20 132.74 2b3j s ILE 26 Ca 0.78 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 61.35 2b3j s ILE 26 Cb -0.04 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2b3j s ILE 26 CO 0.16 0.24 -0.15 -0.83 0.00 0.00 0.00 174.94 174.36 2b3j s GLY 27 N 0.96 1.33 0.02 6.18 0.00 -1.25 -2.13 107.32 112.43 2b3j s GLY 27 Ca -0.10 -1.52 -0.01 0.00 0.00 0.00 0.00 44.72 43.09 2b3j s GLY 27 CO 0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 173.10 171.49 2b3j s ALA 28 N -2.52 0.10 -0.01 3.20 0.00 0.02 -1.74 121.76 120.82 2b3j s ALA 28 Ca 0.17 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2b3j s ALA 28 Cb -0.03 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2b3j s ALA 28 CO 0.06 -0.17 -0.01 0.42 0.00 0.00 0.00 175.76 176.05 2b3j s ILE 29 N -1.54 0.13 -0.08 0.00 -1.09 0.98 -1.13 121.20 118.48 2b3j s ILE 29 Ca -0.15 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.27 2b3j s ILE 29 Cb -0.09 -0.14 -0.00 0.00 -1.58 0.00 0.00 42.46 40.65 2b3j s ILE 29 CO -0.01 0.05 -0.22 -0.63 -1.23 0.00 0.00 174.94 172.91 2b3j s ILE 30 N 0.14 1.86 0.27 2.92 1.09 0.08 0.06 121.20 127.63 2b3j s ILE 30 Ca -0.01 -0.92 0.10 0.00 -1.10 0.00 0.00 60.65 58.72 2b3j s ILE 30 Cb -0.03 -1.60 -0.05 0.00 -1.06 0.00 0.00 42.46 39.71 2b3j s ILE 30 CO -0.00 0.52 -0.16 0.42 -0.10 0.00 0.00 174.94 175.61 2b3j s THR 31 N 0.26 2.20 -0.16 2.92 -4.23 0.12 -0.63 115.64 116.12 2b3j s THR 31 Ca -0.14 -2.31 -0.05 0.00 -1.18 0.00 0.00 61.69 58.01 2b3j s THR 31 Cb -0.16 -2.30 0.08 0.00 1.34 0.00 0.00 72.50 71.45 2b3j s THR 31 CO 0.06 -0.41 0.30 -0.75 -0.54 0.00 0.00 174.62 173.29 2b3j s LYS 32 N -3.57 0.21 -1.21 3.99 2.47 -0.72 -0.92 119.74 119.99 2b3j s LYS 32 Ca 0.29 0.76 -0.02 0.00 -1.56 0.00 0.00 55.97 55.44 2b3j s LYS 32 Cb -0.02 -0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.27 2b3j s LYS 32 CO 0.13 -0.33 0.20 -0.25 0.16 0.00 0.00 175.35 175.25 2b3j n ASP 33 N 5.36 -4.68 -2.79 1.43 10.43 -1.26 -1.91 116.55 123.12 2b3j n ASP 33 Ca -0.06 -0.10 -0.21 0.00 2.57 0.00 0.00 54.79 56.98 2b3j n ASP 33 Cb 0.50 -3.70 0.03 0.00 1.84 0.00 0.00 41.12 39.79 2b3j n ASP 33 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 2b3j n ASP 34 N -1.07 -5.91 -3.90 -2.24 3.85 -1.26 -4.99 116.55 101.04 2b3j n ASP 34 Ca -0.14 -0.24 -0.26 0.00 -0.71 0.00 0.00 54.79 53.44 2b3j n ASP 34 Cb 0.61 -4.75 -0.17 0.00 -1.35 0.00 0.00 41.12 35.46 2b3j n ASP 34 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 2b3j s GLU 35 N -5.56 1.42 0.07 0.11 2.12 -0.80 -5.10 118.70 110.96 2b3j s GLU 35 Ca 0.25 -0.22 -0.32 0.00 0.36 0.00 0.00 54.97 55.05 2b3j s GLU 35 Cb -0.11 -1.49 -0.11 0.00 0.26 0.00 0.00 34.13 32.68 2b3j s GLU 35 CO 0.31 -0.25 1.86 0.28 -0.54 0.00 0.00 175.26 176.92 2b3j n VAL 36 N 4.88 0.47 0.23 3.70 0.31 -1.26 -1.75 118.33 124.91 2b3j n VAL 36 Ca -0.13 -0.09 0.04 0.00 -0.01 0.00 0.00 64.34 64.15 2b3j n VAL 36 Cb 0.50 -2.09 -0.05 0.00 -0.91 0.00 0.00 33.84 31.29 2b3j n VAL 36 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2b3j n ILE 37 N 4.89 0.00 -3.57 2.52 -5.35 0.20 -4.95 119.36 113.10 2b3j n ILE 37 Ca 0.19 -0.28 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 2b3j n ILE 37 Cb 0.36 0.77 -0.05 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.97 -1.92 0.02 -1.28 0.00 -1.12 -4.67 121.76 110.81 2b3j s ALA 38 Ca 0.01 1.53 -0.13 0.00 0.00 0.00 0.00 51.96 53.37 2b3j s ALA 38 Cb 0.05 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2b3j s ALA 38 CO 0.31 -0.35 0.28 -0.98 0.00 0.00 0.00 175.76 175.01 2b3j s ARG 39 N -1.32 0.72 0.23 0.00 1.70 -1.26 -0.74 118.95 118.28 2b3j s ARG 39 Ca -0.01 -0.41 -0.22 0.00 -0.47 0.00 0.00 55.73 54.62 2b3j s ARG 39 Cb -0.00 0.31 0.05 0.00 -0.57 0.00 0.00 34.95 34.74 2b3j s ARG 39 CO 0.01 -0.21 0.87 0.00 -1.08 0.00 0.00 175.30 174.88 2b3j s ALA 40 N -2.05 -1.37 0.15 7.88 0.00 -0.28 -4.78 121.76 121.30 2b3j s ALA 40 Ca -0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 2b3j s ALA 40 Cb -0.03 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2b3j s ALA 40 CO -0.00 -1.04 0.23 -3.38 0.00 0.00 0.00 175.76 171.57 2b3j s HIS 41 N -3.21 0.43 0.21 0.00 -3.43 -1.26 -0.80 115.29 107.22 2b3j s HIS 41 Ca 0.14 -0.81 -0.32 0.00 -0.80 0.00 0.00 55.06 53.27 2b3j s HIS 41 Cb -0.04 -0.12 -0.13 0.00 -1.43 0.00 0.00 32.58 30.86 2b3j s HIS 41 CO 0.06 -0.66 1.52 -1.71 -2.00 0.00 0.00 174.74 171.94 2b3j n ASN 42 N -0.17 3.07 -0.44 7.38 5.15 -0.90 -4.35 115.26 125.00 2b3j n ASN 42 Ca -0.08 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.01 2b3j n ASN 42 Cb 0.63 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 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 2.82 0.00 -0.04 1.20 4.77 -0.75 -4.75 117.00 120.25 2b3j n LEU 43 Ca 0.14 -0.89 -0.08 0.00 -0.03 0.00 0.00 56.01 55.15 2b3j n LEU 43 Cb 0.31 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2b3j n LEU 43 CO 0.63 0.22 0.76 0.03 -1.33 0.00 0.00 177.39 177.71 2b3j h ARG 44 N 0.00 -0.13 -0.33 3.23 3.08 -1.79 -0.27 114.38 118.17 2b3j h ARG 44 Ca 0.00 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 2b3j h ARG 44 Cb 1.35 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 2b3j h ARG 44 CO 0.00 -0.09 -0.36 0.93 -1.07 0.00 0.00 179.97 179.39 2b3j h GLU 45 N -0.13 0.75 -0.37 0.04 4.39 -1.92 0.39 114.58 117.73 2b3j h GLU 45 Ca 0.12 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.39 2b3j h GLU 45 Cb 0.32 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2b3j h GLU 45 CO -0.29 0.99 -0.03 1.15 -1.16 0.00 0.00 179.01 179.66 2b3j h THR 46 N 0.62 1.27 -0.01 1.13 2.02 -1.86 -3.26 112.91 112.83 2b3j h THR 46 Ca 0.06 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2b3j h THR 46 Cb 0.89 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2b3j h THR 46 CO 0.08 0.35 -0.82 0.18 0.37 0.00 0.00 175.52 175.68 2b3j n LEU 47 N -4.45 1.33 -3.86 2.58 4.77 -0.14 -4.98 117.00 112.24 2b3j n LEU 47 Ca -0.02 -0.57 -0.25 0.00 -0.03 0.00 0.00 56.01 55.14 2b3j n LEU 47 Cb 0.30 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2b3j n LEU 47 CO 0.41 0.29 -0.08 0.00 -1.33 0.00 0.00 177.39 176.68 2b3j n GLN 48 N -1.02 -4.41 -4.50 3.23 1.13 0.14 -4.98 117.38 106.96 2b3j n GLN 48 Ca 0.06 0.53 -0.32 0.00 -1.94 0.00 0.00 57.00 55.33 2b3j n GLN 48 Cb 0.38 -5.04 -0.16 0.00 0.11 0.00 0.00 30.24 25.52 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 2.88 0.61 -1.09 -1.52 -1.16 -5.02 119.66 107.99 2b3j s GLN 49 Ca 0.20 -0.80 0.36 0.00 -1.95 0.00 0.00 55.36 53.17 2b3j s GLN 49 Cb -0.10 -2.38 1.98 0.00 -0.22 0.00 0.00 33.01 32.29 2b3j s GLN 49 CO 0.85 -0.07 2.25 -1.00 -0.25 0.00 0.00 175.29 177.06 2b3j h PRO 50 N 7.49 0.00 -0.01 2.91 0.13 -1.93 -2.48 132.00 138.11 2b3j h PRO 50 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2b3j h PRO 50 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2b3j h PRO 50 CO 0.56 0.02 -0.17 0.25 -0.23 0.00 0.00 178.00 178.44 2b3j n THR 51 N -3.39 0.00 0.16 1.56 -2.24 -1.26 -4.62 114.28 104.49 2b3j n THR 51 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2b3j n THR 51 Cb 0.13 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.04 2.27 -1.77 6.98 0.00 -0.93 -4.53 120.51 122.48 2b3j n ALA 52 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 2b3j n ALA 52 Cb 0.40 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 0.76 3.31 0.14 0.00 3.76 -1.26 -1.81 115.29 120.19 2b3j s HIS 53 Ca 0.00 1.46 -0.25 0.00 -0.15 0.00 0.00 55.06 56.12 2b3j s HIS 53 Cb 0.00 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.84 2b3j s HIS 53 CO 0.00 -0.70 1.62 0.00 -0.85 0.00 0.00 174.74 174.81 2b3j h ALA 54 N 0.50 -0.28 -0.45 -1.40 0.00 -1.83 -1.75 119.26 114.05 2b3j h ALA 54 Ca -0.46 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.54 2b3j h ALA 54 Cb 1.20 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 2b3j h ALA 54 CO 0.60 -0.75 0.20 0.93 0.00 0.00 0.00 179.25 180.23 2b3j h GLU 55 N -0.34 0.39 -0.54 0.00 3.07 -1.90 -0.70 114.58 114.55 2b3j h GLU 55 Ca 0.11 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.98 2b3j h GLU 55 Cb 0.52 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 2b3j h GLU 55 CO -0.38 0.26 0.31 1.25 -1.40 0.00 0.00 179.01 179.05 2b3j h HIS 56 N 0.40 0.59 -0.44 4.33 2.76 -1.76 0.98 115.15 122.01 2b3j h HIS 56 Ca 0.20 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 2b3j h HIS 56 Cb 0.15 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2b3j h HIS 56 CO -0.12 0.32 0.01 0.82 -1.30 0.00 0.00 177.93 177.65 2b3j h ILE 57 N 0.62 1.26 -0.56 6.26 2.04 -0.96 -2.58 117.51 123.58 2b3j h ILE 57 Ca 0.22 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2b3j h ILE 57 Cb 0.06 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2b3j h ILE 57 CO -0.11 0.35 0.30 0.00 0.00 0.00 0.00 178.15 178.69 2b3j h ALA 58 N 0.91 0.72 -0.42 1.87 0.00 -0.60 -1.78 119.26 119.95 2b3j h ALA 58 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2b3j h ALA 58 Cb 0.49 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2b3j h ALA 58 CO 0.02 0.24 0.22 0.82 0.00 0.00 0.00 179.25 180.55 2b3j h ILE 59 N 0.76 0.98 -0.25 0.00 2.04 -0.69 0.49 117.51 120.84 2b3j h ILE 59 Ca 0.20 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 2b3j h ILE 59 Cb 0.06 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2b3j h ILE 59 CO -0.03 0.08 -0.20 -0.33 0.00 0.00 0.00 178.15 177.67 2b3j h GLU 60 N 0.44 0.44 -0.42 2.37 5.08 -1.25 -0.79 114.58 120.44 2b3j h GLU 60 Ca 0.18 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2b3j h GLU 60 Cb 0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2b3j h GLU 60 CO -0.12 0.62 -0.28 0.00 -1.00 0.00 0.00 179.01 178.23 2b3j h ARG 61 N 0.40 0.91 -0.33 2.33 3.08 -0.68 -2.23 114.38 117.86 2b3j h ARG 61 Ca 0.07 -0.42 -0.13 0.00 0.07 0.00 0.00 59.98 59.57 2b3j h ARG 61 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2b3j h ARG 61 CO 0.04 1.07 -0.33 0.00 -1.07 0.00 0.00 179.97 179.68 2b3j h ALA 62 N 0.90 0.80 -0.66 0.04 0.00 -0.64 -1.98 119.26 117.73 2b3j h ALA 62 Ca 0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2b3j h ALA 62 Cb 0.85 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2b3j h ALA 62 CO 0.07 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.21 2b3j h ALA 63 N 1.02 1.19 -0.31 0.00 0.00 -0.99 0.26 119.26 120.43 2b3j h ALA 63 Ca 0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2b3j h ALA 63 Cb 0.85 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2b3j h ALA 63 CO 0.07 0.58 -0.15 -0.22 0.00 0.00 0.00 179.25 179.53 2b3j h LYS 64 N 0.95 0.66 -0.60 0.00 3.64 -1.17 -0.38 116.57 119.67 2b3j h LYS 64 Ca 0.22 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2b3j h LYS 64 Cb 0.22 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2b3j h LYS 64 CO -0.02 0.88 0.31 0.28 -2.27 0.00 0.00 179.45 178.64 2b3j h VAL 65 N 0.42 1.20 0.00 2.00 2.07 -0.95 -2.86 116.25 118.14 2b3j h VAL 65 Ca 0.07 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2b3j h VAL 65 Cb 0.68 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2b3j h VAL 65 CO 0.05 0.23 -0.16 0.18 0.02 0.00 0.00 177.57 177.88 2b3j n LEU 66 N -4.55 0.46 -0.83 2.57 4.77 0.04 -4.94 117.00 114.52 2b3j n LEU 66 Ca 0.04 0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 2b3j n LEU 66 Cb 0.10 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2b3j n LEU 66 CO 0.37 -0.06 -0.10 0.61 -1.33 0.00 0.00 177.39 176.89 2b3j n GLY 67 N 1.41 0.63 3.51 -0.72 0.00 -0.20 -5.01 105.19 104.81 2b3j n GLY 67 Ca 0.06 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 2b3j n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b3j s SER 68 N -2.78 -0.63 0.11 1.61 1.04 -0.91 -5.02 113.70 107.12 2b3j s SER 68 Ca 0.00 0.61 0.24 0.00 0.48 0.00 0.00 55.95 57.27 2b3j s SER 68 Cb 0.00 0.53 0.93 0.00 0.10 0.00 0.00 66.02 67.58 2b3j s SER 68 CO 0.00 -0.63 1.74 -2.67 0.98 0.00 0.00 173.24 172.65 2b3j n TRP 69 N 0.73 0.41 -3.12 5.02 4.27 -1.26 -4.51 117.44 118.98 2b3j n TRP 69 Ca -0.18 0.14 -0.43 0.00 -3.89 0.00 0.00 57.50 53.14 2b3j n TRP 69 Cb 0.58 -0.72 -0.07 0.00 -1.36 0.00 0.00 31.31 29.74 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 -3.09 3.29 -1.11 -2.67 0.52 -1.26 -4.50 118.95 110.13 2b3j s ARG 70 Ca 0.10 -0.36 -0.05 0.00 -0.52 0.00 0.00 55.73 54.90 2b3j s ARG 70 Cb 0.13 -3.94 0.13 0.00 0.52 0.00 0.00 34.95 31.79 2b3j s ARG 70 CO 0.46 -0.99 2.40 1.28 0.02 0.00 0.00 175.30 178.46 2b3j n LEU 71 N 6.23 7.66 -4.77 2.53 4.77 0.14 -4.99 117.00 128.57 2b3j n LEU 71 Ca -0.02 -4.78 -0.40 0.00 -0.03 0.00 0.00 56.01 50.78 2b3j n LEU 71 Cb 0.48 -1.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.27 2b3j n LEU 71 CO 0.53 1.99 1.04 -1.61 -1.33 0.00 0.00 177.39 178.01 2b3j s GLU 72 N -1.67 3.86 -0.07 3.23 2.02 -1.26 -2.59 118.70 122.22 2b3j s GLU 72 Ca 0.53 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.86 2b3j s GLU 72 Cb 0.23 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.72 2b3j s GLU 72 CO -0.13 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 174.91 2b3j n GLY 73 N 0.60 0.28 3.94 -1.39 0.00 -1.26 -5.00 105.19 102.36 2b3j n GLY 73 Ca 0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.89 1.50 -0.18 0.00 2.01 -0.09 -3.47 115.64 113.52 2b3j s THR 75 Ca 0.37 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 2b3j s THR 75 Cb -0.11 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 2b3j s THR 75 CO 0.29 0.43 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.42 2b3j s LEU 76 N 0.07 3.32 -0.16 4.42 2.96 -0.45 -0.70 118.68 128.13 2b3j s LEU 76 Ca -0.05 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2b3j s LEU 76 Cb -0.12 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2b3j s LEU 76 CO 0.03 0.13 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.77 2b3j s TYR 77 N 0.61 2.86 -0.02 5.38 2.02 0.11 -0.14 117.35 128.17 2b3j s TYR 77 Ca -0.01 -0.79 -0.02 0.00 -0.37 0.00 0.00 57.07 55.88 2b3j s TYR 77 Cb -0.14 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 2b3j s TYR 77 CO 0.02 -0.35 0.06 0.54 -1.57 0.00 0.00 175.55 174.26 2b3j s VAL 78 N 0.76 -0.00 0.38 0.71 0.11 -0.65 -0.01 120.40 121.70 2b3j s VAL 78 Ca -0.04 0.01 0.23 0.00 -2.93 0.00 0.00 61.98 59.24 2b3j s VAL 78 Cb -0.15 -0.10 0.23 0.00 -1.53 0.00 0.00 36.38 34.84 2b3j s VAL 78 CO 0.01 0.00 1.99 0.71 -3.33 0.00 0.00 175.10 174.49 2b3j h THR 79 N 5.09 0.77 -3.97 5.04 1.35 -1.65 -0.81 112.91 118.73 2b3j h THR 79 Ca -0.25 -0.74 -0.51 0.00 -0.55 0.00 0.00 66.41 64.37 2b3j h THR 79 Cb 1.20 1.45 -0.22 0.00 -1.73 0.00 0.00 68.15 68.84 2b3j h THR 79 CO 0.47 0.18 -0.81 -0.22 -0.25 0.00 0.00 175.52 174.89 2b3j s LEU 80 N -7.59 2.26 0.06 3.87 2.96 -1.26 -1.05 118.68 117.94 2b3j s LEU 80 Ca -0.03 -0.62 -0.33 0.00 -0.22 0.00 0.00 54.13 52.93 2b3j s LEU 80 Cb 0.13 -0.76 -0.12 0.00 0.50 0.00 0.00 46.19 45.95 2b3j s LEU 80 CO 0.63 0.03 1.75 1.21 -1.32 0.00 0.00 176.35 178.65 2b3j n GLU 81 N 1.32 2.32 -1.68 1.98 2.13 -0.28 -4.73 120.64 121.69 2b3j n GLU 81 Ca -0.20 0.84 -0.44 0.00 0.66 0.00 0.00 57.16 58.03 2b3j n GLU 81 Cb 0.54 -2.67 -0.02 0.00 0.27 0.00 0.00 31.44 29.56 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 5.10 2.09 -1.49 5.31 -0.02 -1.26 -4.68 135.00 140.04 2b3j n PRO 82 Ca 0.19 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 62.14 2b3j n PRO 82 Cb 0.31 -2.37 0.21 0.00 -0.02 0.00 0.00 33.50 31.63 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 -2.04 0.89 0.04 0.00 3.04 -1.91 0.17 116.25 116.43 2b3j h VAL 84 Ca -0.39 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2b3j h VAL 84 Cb 1.12 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2b3j h VAL 84 CO 0.27 0.10 -0.02 -0.03 -1.01 0.00 0.00 177.57 176.89 2b3j h MET 85 N 0.58 -0.05 -0.34 4.17 1.85 -1.96 -1.98 114.93 117.20 2b3j h MET 85 Ca 0.31 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.28 2b3j h MET 85 Cb 0.28 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 2b3j h MET 85 CO -0.23 0.21 -0.27 0.00 -0.40 0.00 0.00 176.91 176.22 2b3j h ALA 87 N 1.10 0.59 -0.44 0.00 0.00 -0.67 0.27 119.26 120.11 2b3j h ALA 87 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2b3j h ALA 87 Cb 0.76 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2b3j h ALA 87 CO 0.06 0.02 0.01 0.78 0.00 0.00 0.00 179.25 180.13 2b3j h GLY 88 N 0.62 0.77 1.54 0.00 0.00 -1.04 -1.95 103.07 103.01 2b3j h GLY 88 Ca 0.17 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2b3j h GLY 88 CO -0.05 0.46 -0.15 -0.84 0.00 0.00 0.00 176.54 175.96 2b3j h THR 89 N 0.68 1.25 -0.60 4.70 2.02 -0.35 -0.79 112.91 119.81 2b3j h THR 89 Ca 0.14 -1.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.12 2b3j h THR 89 Cb 0.40 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2b3j h THR 89 CO 0.01 0.36 0.04 0.40 0.37 0.00 0.00 175.52 176.71 2b3j h ILE 90 N 0.51 1.26 -0.40 3.11 2.04 -0.43 -1.73 117.51 121.87 2b3j h ILE 90 Ca 0.09 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 2b3j h ILE 90 Cb 0.56 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2b3j h ILE 90 CO 0.04 0.40 0.01 0.58 0.00 0.00 0.00 178.15 179.17 2b3j h VAL 91 N 0.95 1.26 0.00 1.67 2.07 -0.82 -2.05 116.25 119.33 2b3j h VAL 91 Ca 0.18 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2b3j h VAL 91 Cb 0.50 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2b3j h VAL 91 CO 0.02 0.34 0.00 0.24 0.02 0.00 0.00 177.57 178.19 2b3j h MET 92 N 0.54 0.00 -0.03 1.57 2.86 -0.96 -2.74 114.93 116.18 2b3j h MET 92 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2b3j h MET 92 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2b3j h MET 92 CO 0.02 0.00 -0.02 -1.13 1.06 0.00 0.00 176.91 176.84 2b3j n SER 93 N -2.83 2.78 -3.87 1.22 3.41 -0.67 -4.90 113.62 108.76 2b3j n SER 93 Ca 0.03 -1.89 -0.29 0.00 -0.26 0.00 0.00 58.87 56.46 2b3j n SER 93 Cb 0.38 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.17 -5.49 -2.16 4.33 3.00 -0.81 -0.68 116.66 116.02 2b3j n ARG 94 Ca 0.13 0.61 -0.42 0.00 -0.01 0.00 0.00 57.85 58.15 2b3j n ARG 94 Cb 0.54 -5.44 -0.03 0.00 0.00 0.00 0.00 32.46 27.53 2b3j n ARG 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2b3j s ILE 95 N -3.37 3.55 0.11 0.55 1.01 -1.00 -4.49 121.20 117.56 2b3j s ILE 95 Ca 0.55 0.96 0.20 0.00 0.00 0.00 0.00 60.65 62.35 2b3j s ILE 95 Cb -0.27 -3.62 0.15 0.00 0.01 0.00 0.00 42.46 38.73 2b3j s ILE 95 CO 0.83 0.00 1.71 1.55 0.00 0.00 0.00 174.94 179.03 2b3j h PRO 96 N 7.90 0.00 -3.58 2.79 0.13 -1.79 -3.42 132.00 134.04 2b3j h PRO 96 Ca -0.39 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.53 2b3j h PRO 96 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 2b3j h PRO 96 CO 0.91 0.35 -0.64 0.50 -0.23 0.00 0.00 178.00 178.88 2b3j s ARG 97 N -3.52 0.08 -0.07 0.86 3.52 -1.23 -0.76 118.95 117.84 2b3j s ARG 97 Ca 0.01 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 2b3j s ARG 97 Cb 0.10 0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.55 2b3j s ARG 97 CO 0.68 -0.01 -0.05 0.08 -0.81 0.00 0.00 175.30 175.19 2b3j s VAL 98 N 0.00 0.73 -0.17 7.11 1.01 0.02 -1.34 120.40 127.76 2b3j s VAL 98 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2b3j s VAL 98 Cb -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2b3j s VAL 98 CO 0.00 0.29 -0.18 -0.69 0.00 0.00 0.00 175.10 174.52 2b3j s VAL 99 N 1.34 2.30 0.24 2.92 1.01 0.80 -0.88 120.40 128.14 2b3j s VAL 99 Ca -0.03 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2b3j s VAL 99 Cb -0.14 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 2b3j s VAL 99 CO -0.03 0.53 -0.04 -0.72 0.00 0.00 0.00 175.10 174.84 2b3j s TYR 100 N 1.09 1.70 0.00 5.22 -0.85 -0.06 -1.63 117.35 122.82 2b3j s TYR 100 Ca -0.00 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 2b3j s TYR 100 Cb -0.14 -0.96 0.00 0.00 0.38 0.00 0.00 41.96 41.24 2b3j s TYR 100 CO -0.07 0.12 0.00 0.41 -1.52 0.00 0.00 175.55 174.49 2b3j n GLY 101 N -0.46 1.11 3.81 5.49 0.00 -0.31 -2.29 105.19 112.54 2b3j n GLY 101 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.00 3.07 0.60 4.61 0.00 -0.21 -1.79 121.76 124.03 2b3j s ALA 102 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 2b3j s ALA 102 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2b3j s ALA 102 CO 0.00 0.11 0.99 -0.51 0.00 0.00 0.00 175.76 176.35 2b3j s ASP 103 N -2.04 6.20 -0.39 0.00 1.11 -1.26 -1.13 116.67 119.16 2b3j s ASP 103 Ca 0.60 1.31 0.02 0.00 0.18 0.00 0.00 52.55 54.66 2b3j s ASP 103 Cb -0.12 -2.40 0.12 0.00 1.07 0.00 0.00 42.92 41.59 2b3j s ASP 103 CO 0.16 -0.84 0.16 -0.62 1.18 0.00 0.00 175.17 175.21 2b3j s ASP 104 N -4.17 4.09 0.33 0.27 -1.08 -1.26 -4.75 116.67 110.10 2b3j s ASP 104 Ca 0.54 -2.28 0.26 0.00 -0.52 0.00 0.00 52.55 50.55 2b3j s ASP 104 Cb -0.11 -1.19 1.14 0.00 -1.46 0.00 0.00 42.92 41.31 2b3j s ASP 104 CO 0.52 -0.33 1.77 1.55 0.52 0.00 0.00 175.17 179.20 2b3j h PRO 105 N 7.30 0.00 0.08 4.34 0.13 -1.96 0.19 132.00 142.08 2b3j h PRO 105 Ca -0.06 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.70 2b3j h PRO 105 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 2b3j h PRO 105 CO 0.51 0.00 -2.09 1.17 -0.23 0.00 0.00 178.00 177.37 2b3j n LYS 106 N -2.41 0.72 0.00 0.86 4.81 -1.26 -4.75 118.16 116.13 2b3j n LYS 106 Ca 0.01 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2b3j n LYS 106 Cb 0.20 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2b3j n LYS 106 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b3j n GLY 107 N 2.00 -0.20 3.71 3.14 0.00 -1.21 -4.99 105.19 107.64 2b3j n GLY 107 Ca -0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.12 1.52 -0.21 -0.02 0.00 0.67 -4.17 107.32 104.99 2b3j s GLY 108 Ca 0.00 1.35 0.11 0.00 0.00 0.00 0.00 44.72 46.18 2b3j s GLY 108 CO 0.00 2.75 1.22 0.00 0.00 0.00 0.00 173.10 177.07 2b3j n SER 110 N -1.08 1.66 0.00 0.00 7.64 -0.98 -1.17 113.62 119.69 2b3j n SER 110 Ca 0.21 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.92 2b3j n SER 110 Cb 0.71 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.51 1.79 0.00 0.23 0.00 0.24 -4.88 105.19 102.06 2b3j n GLY 111 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.17 1.61 7.64 -1.25 -4.51 113.62 117.27 2b3j n SER 112 Ca 0.00 0.01 0.03 0.00 1.01 0.00 0.00 58.87 59.92 2b3j n SER 112 Cb 0.00 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.00 -7.40 -3.43 4.07 -1.37 -3.47 115.31 103.71 2b3j h LEU 113 Ca 0.00 0.00 0.34 0.00 0.08 0.00 0.00 57.88 58.30 2b3j h LEU 113 Cb 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.63 2b3j h LEU 113 CO 0.00 0.46 0.87 0.00 -1.08 0.00 0.00 178.44 178.69 2b3j s MET 114 N -3.71 0.36 -0.44 1.13 0.23 -1.25 -5.05 119.30 110.56 2b3j s MET 114 Ca -0.01 -0.21 0.02 0.00 -1.03 0.00 0.00 55.69 54.46 2b3j s MET 114 Cb 0.12 0.11 0.13 0.00 -1.53 0.00 0.00 34.83 33.67 2b3j s MET 114 CO 0.72 -0.16 0.23 1.21 -2.03 0.00 0.00 175.02 174.99 2b3j s ASN 115 N -3.21 3.67 0.02 -1.18 3.84 -1.26 -0.59 114.94 116.23 2b3j s ASN 115 Ca 0.18 -2.61 0.16 0.00 0.21 0.00 0.00 52.86 50.80 2b3j s ASN 115 Cb 0.04 -1.04 0.67 0.00 -0.55 0.00 0.00 41.25 40.37 2b3j s ASN 115 CO -0.03 -0.27 1.50 0.18 -2.79 0.00 0.00 177.10 175.69 2b3j n LEU 116 N 3.57 0.04 -0.35 3.21 4.77 -0.32 -1.95 117.00 125.98 2b3j n LEU 116 Ca 0.08 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 2b3j n LEU 116 Cb 0.34 -0.50 0.48 0.00 -2.33 0.00 0.00 43.42 41.41 2b3j n LEU 116 CO 0.24 -0.26 0.79 0.18 -1.33 0.00 0.00 177.39 177.01 2b3j n LEU 117 N -1.55 1.20 -2.78 2.23 4.77 -1.26 -4.17 117.00 115.44 2b3j n LEU 117 Ca 0.04 -0.35 -0.17 0.00 -0.03 0.00 0.00 56.01 55.49 2b3j n LEU 117 Cb 0.18 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2b3j n LEU 117 CO 0.15 0.21 -0.05 0.00 -1.33 0.00 0.00 177.39 176.36 2b3j n GLN 118 N -0.27 1.81 -3.72 3.23 1.13 -0.82 -1.13 117.38 117.60 2b3j n GLN 118 Ca 0.16 -3.72 -0.37 0.00 -1.94 0.00 0.00 57.00 51.13 2b3j n GLN 118 Cb 0.34 -1.67 -0.11 0.00 0.11 0.00 0.00 30.24 28.91 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 -3.08 3.91 0.45 -1.09 -1.52 -1.26 -4.97 119.66 112.10 2b3j s GLN 119 Ca 0.37 -0.35 0.23 0.00 -1.95 0.00 0.00 55.36 53.65 2b3j s GLN 119 Cb 0.40 -3.47 1.04 0.00 -0.22 0.00 0.00 33.01 30.76 2b3j s GLN 119 CO -0.06 -0.05 1.90 0.66 -0.25 0.00 0.00 175.29 177.50 2b3j h SER 120 N 7.85 0.00 1.09 5.90 4.64 -1.96 -2.76 113.55 128.31 2b3j h SER 120 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2b3j h SER 120 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2b3j h SER 120 CO 0.61 0.24 -0.10 0.59 -0.87 0.00 0.00 176.83 177.30 2b3j n ASN 121 N -3.61 0.36 -4.90 4.97 5.03 -1.26 -4.85 115.26 110.99 2b3j n ASN 121 Ca -0.01 0.42 -0.28 0.00 0.87 0.00 0.00 54.58 55.58 2b3j n ASN 121 Cb 0.37 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 2b3j n ASN 121 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2b3j s PHE 122 N -3.04 3.57 -2.04 3.10 0.40 -1.04 -4.97 117.98 113.96 2b3j s PHE 122 Ca 0.12 0.93 0.11 0.00 -0.60 0.00 0.00 56.93 57.50 2b3j s PHE 122 Cb 0.16 -2.42 0.37 0.00 0.51 0.00 0.00 43.02 41.64 2b3j s PHE 122 CO 0.58 -0.40 1.28 0.27 0.70 0.00 0.00 175.22 177.65 2b3j n ASN 123 N -2.40 1.48 -3.65 1.36 6.94 -1.26 -4.83 115.26 112.91 2b3j n ASN 123 Ca 0.02 -1.93 -0.14 0.00 -0.02 0.00 0.00 54.58 52.51 2b3j n ASN 123 Cb 0.55 -0.17 -0.08 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.66 -0.72 0.05 -2.53 5.04 -1.26 -5.15 115.29 109.07 2b3j s HIS 124 Ca 0.21 1.73 0.03 0.00 -1.54 0.00 0.00 55.06 55.49 2b3j s HIS 124 Cb 0.11 0.25 -0.03 0.00 0.04 0.00 0.00 32.58 32.96 2b3j s HIS 124 CO 0.15 -0.36 -0.09 1.03 -2.34 0.00 0.00 174.74 173.14 2b3j s ARG 125 N 0.28 0.61 0.08 2.88 0.52 -1.26 -4.72 118.95 117.34 2b3j s ARG 125 Ca -0.01 -0.86 0.07 0.00 -0.52 0.00 0.00 55.73 54.42 2b3j s ARG 125 Cb -0.04 -0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.03 2b3j s ARG 125 CO 0.01 0.06 -0.19 0.00 0.02 0.00 0.00 175.30 175.20 2b3j s ALA 126 N -1.62 1.62 0.24 2.13 0.00 -0.29 -4.84 121.76 119.00 2b3j s ALA 126 Ca -0.06 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 2b3j s ALA 126 Cb -0.08 -0.24 -0.10 0.00 0.00 0.00 0.00 23.12 22.70 2b3j s ALA 126 CO 0.00 0.32 1.42 0.42 0.00 0.00 0.00 175.76 177.93 2b3j s ILE 127 N -1.06 2.74 -0.18 0.00 1.01 0.06 -4.75 121.20 119.03 2b3j s ILE 127 Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2b3j s ILE 127 Cb -0.09 -3.40 0.04 0.00 0.01 0.00 0.00 42.46 39.02 2b3j s ILE 127 CO 0.03 0.10 -0.10 -0.69 0.00 0.00 0.00 174.94 174.27 2b3j s VAL 128 N 0.03 1.53 -0.10 2.92 1.01 -1.26 -0.80 120.40 123.73 2b3j s VAL 128 Ca 0.59 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2b3j s VAL 128 Cb -0.41 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2b3j s VAL 128 CO 0.42 0.24 -0.17 -1.81 0.00 0.00 0.00 175.10 173.78 2b3j s ASP 129 N 1.46 3.74 0.50 3.32 1.01 -0.06 -5.01 116.67 121.63 2b3j s ASP 129 Ca 0.01 -0.36 0.02 0.00 0.71 0.00 0.00 52.55 52.93 2b3j s ASP 129 Cb -0.15 -1.28 -0.02 0.00 1.01 0.00 0.00 42.92 42.48 2b3j s ASP 129 CO -0.09 0.22 0.01 -1.59 0.21 0.00 0.00 175.17 173.93 2b3j s LYS 130 N 0.01 2.17 0.00 8.23 -2.85 -1.26 -0.88 119.74 125.15 2b3j s LYS 130 Ca -0.06 -2.37 0.00 0.00 -1.00 0.00 0.00 55.97 52.54 2b3j s LYS 130 Cb -0.15 -1.48 0.00 0.00 -2.06 0.00 0.00 37.83 34.14 2b3j s LYS 130 CO 0.05 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.56 2b3j n GLY 131 N -1.23 2.98 3.51 0.59 0.00 -0.74 -4.89 105.19 105.42 2b3j n GLY 131 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 2b3j n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b3j n VAL 132 N -2.00 0.17 -2.89 1.61 0.31 -1.19 -0.86 118.33 113.48 2b3j n VAL 132 Ca 0.00 -0.39 -0.21 0.00 -0.01 0.00 0.00 64.34 63.73 2b3j n VAL 132 Cb 0.00 -2.01 0.02 0.00 -0.91 0.00 0.00 33.84 30.94 2b3j n VAL 132 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2b3j n LEU 133 N 11.45 -2.18 -0.23 7.52 4.77 -1.26 -4.19 117.00 132.87 2b3j n LEU 133 Ca 0.39 -0.20 0.04 0.00 -0.03 0.00 0.00 56.01 56.22 2b3j n LEU 133 Cb 0.33 -2.74 0.29 0.00 -2.33 0.00 0.00 43.42 38.96 2b3j n LEU 133 CO 0.74 0.09 1.23 0.07 -1.33 0.00 0.00 177.39 178.19 2b3j h LYS 134 N -0.89 0.89 0.07 3.23 2.10 -1.22 -1.65 116.57 119.10 2b3j h LYS 134 Ca -0.48 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.14 2b3j h LYS 134 Cb 1.34 -0.20 -0.04 0.00 -0.90 0.00 0.00 32.23 32.43 2b3j h LYS 134 CO 0.54 0.59 -0.29 0.93 -2.00 0.00 0.00 179.45 179.22 2b3j h GLU 135 N 0.92 -0.46 -0.58 0.07 4.39 -1.90 0.50 114.58 117.52 2b3j h GLU 135 Ca 0.33 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 60.00 2b3j h GLU 135 Cb 0.13 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2b3j h GLU 135 CO -0.11 -0.31 0.14 0.00 -1.16 0.00 0.00 179.01 177.58 2b3j h ALA 136 N 0.24 0.76 -0.44 3.43 0.00 -1.89 -0.59 119.26 120.78 2b3j h ALA 136 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2b3j h ALA 136 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2b3j h ALA 136 CO -0.20 0.46 0.26 0.00 0.00 0.00 0.00 179.25 179.77 2b3j h SER 138 N 0.58 0.93 -0.78 0.00 0.87 0.18 -3.04 113.55 112.29 2b3j h SER 138 Ca 0.16 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2b3j h SER 138 Cb -0.00 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.66 2b3j h SER 138 CO -0.03 0.95 0.48 0.74 -0.53 0.00 0.00 176.83 178.44 2b3j h THR 139 N 0.90 1.07 -0.85 2.23 2.02 -0.81 -2.16 112.91 115.32 2b3j h THR 139 Ca 0.18 -0.31 0.09 0.00 0.77 0.00 0.00 66.41 67.13 2b3j h THR 139 Cb 0.45 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 66.86 2b3j h THR 139 CO 0.02 0.17 0.50 -0.07 0.37 0.00 0.00 175.52 176.51 2b3j h LEU 140 N 0.92 0.75 0.18 2.58 4.07 -1.37 -0.61 115.31 121.83 2b3j h LEU 140 Ca 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.31 2b3j h LEU 140 Cb 0.08 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2b3j h LEU 140 CO -0.14 0.44 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.50 2b3j h LEU 141 N 0.86 -0.21 -1.28 1.67 -0.00 -1.45 -1.83 115.31 113.08 2b3j h LEU 141 Ca 0.40 -0.28 0.04 0.00 -0.00 0.00 0.00 57.88 58.04 2b3j h LEU 141 Cb 0.32 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 40.98 2b3j h LEU 141 CO -0.23 0.20 0.51 0.71 -0.00 0.00 0.00 178.44 179.63 2b3j h THR 142 N -0.65 1.11 0.11 0.22 1.35 -1.28 -0.66 112.91 113.11 2b3j h THR 142 Ca -0.02 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 2b3j h THR 142 Cb 0.47 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 2b3j h THR 142 CO 0.04 0.17 -0.05 0.74 -0.25 0.00 0.00 175.52 176.17 2b3j h THR 143 N 0.93 1.05 -0.20 6.82 2.02 -1.13 -1.68 112.91 120.72 2b3j h THR 143 Ca 0.31 -0.63 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2b3j h THR 143 Cb 0.07 1.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 2b3j h THR 143 CO -0.09 0.15 -0.25 0.15 0.37 0.00 0.00 175.52 175.85 2b3j h PHE 144 N -0.44 -0.68 -0.07 3.16 3.57 -0.73 -1.44 116.94 120.31 2b3j h PHE 144 Ca -0.01 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2b3j h PHE 144 Cb 0.36 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2b3j h PHE 144 CO 0.02 -0.33 -0.29 0.74 -2.23 0.00 0.00 178.31 176.23 2b3j h PHE 145 N -0.28 0.14 -0.08 0.41 -1.00 -1.16 0.73 116.94 115.71 2b3j h PHE 145 Ca 0.12 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 2b3j h PHE 145 Cb 0.47 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 2b3j h PHE 145 CO -0.39 0.41 0.05 0.87 -1.61 0.00 0.00 178.31 177.64 2b3j h LYS 146 N 0.12 0.10 -0.40 1.51 1.57 -0.56 -0.98 116.57 117.93 2b3j h LYS 146 Ca 0.02 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 2b3j h LYS 146 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2b3j h LYS 146 CO 0.04 0.11 -0.24 -0.91 -0.57 0.00 0.00 179.45 177.88 2b3j h ASN 147 N 0.07 0.84 -0.08 0.86 4.21 -0.96 -1.48 115.58 119.04 2b3j h ASN 147 Ca 0.03 -0.31 0.02 0.00 1.21 0.00 0.00 56.30 57.25 2b3j h ASN 147 Cb 0.03 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 36.97 2b3j h ASN 147 CO -0.01 1.04 -0.07 0.25 -1.29 0.00 0.00 177.43 177.35 2b3j h LEU 148 N 0.71 -0.23 0.03 1.61 6.46 -0.56 -1.16 115.31 122.16 2b3j h LEU 148 Ca 0.09 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2b3j h LEU 148 Cb 0.77 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2b3j h LEU 148 CO 0.06 -0.10 -0.02 0.03 -0.62 0.00 0.00 178.44 177.79 2b3j h ARG 149 N -0.09 -0.04 -0.58 1.25 3.08 -1.11 -3.08 114.38 113.80 2b3j h ARG 149 Ca 0.06 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.22 2b3j h ARG 149 Cb 0.18 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 2b3j h ARG 149 CO -0.13 0.17 0.07 0.00 -1.07 0.00 0.00 179.97 179.00 2b3j h ALA 150 N 0.71 0.64 0.00 0.04 0.00 -1.12 -3.52 119.26 116.02 2b3j h ALA 150 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2b3j h ALA 150 Cb 0.23 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2b3j h ALA 150 CO 0.01 -0.35 0.00 0.27 0.00 0.00 0.00 179.25 179.18