#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1j s ASP 3 N 0.00 5.23 0.00 0.00 3.68 -1.26 -4.75 116.67 119.57 2b1j s ASP 3 Ca 0.00 1.68 0.00 0.00 2.13 0.00 0.00 52.55 56.36 2b1j s ASP 3 Cb 0.00 -2.51 0.00 0.00 -1.45 0.00 0.00 42.92 38.96 2b1j s ASP 3 CO 0.00 -2.16 0.35 0.29 0.13 0.00 0.00 175.17 173.78 2b1j n LYS 4 N 8.82 0.00 0.00 4.34 4.76 -1.26 0.11 118.16 134.92 2b1j n LYS 4 Ca 0.31 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.87 2b1j n LYS 4 Cb 0.47 -1.49 0.11 0.00 -1.84 0.00 0.00 35.03 32.28 2b1j n LYS 4 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2b1j n GLU 5 N -0.85 1.03 -1.65 1.97 4.07 -1.26 -4.19 120.64 119.76 2b1j n GLU 5 Ca 0.00 -0.79 -0.49 0.00 -0.06 0.00 0.00 57.16 55.81 2b1j n GLU 5 Cb 0.00 -1.48 -0.05 0.00 -0.06 0.00 0.00 31.44 29.85 2b1j n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2b1j n LEU 6 N -0.29 2.61 -4.58 4.31 7.94 0.30 -4.80 117.00 122.48 2b1j n LEU 6 Ca 0.10 1.08 -0.43 0.00 -1.11 0.00 0.00 56.01 55.65 2b1j n LEU 6 Cb 0.42 -1.31 -0.04 0.00 0.53 0.00 0.00 43.42 43.02 2b1j n LEU 6 CO 0.28 -0.51 0.69 -0.75 -1.11 0.00 0.00 177.39 175.99 2b1j s LYS 7 N 1.51 3.70 0.07 1.96 2.20 -1.26 -4.49 119.74 123.42 2b1j s LYS 7 Ca 0.85 0.34 -0.11 0.00 -0.36 0.00 0.00 55.97 56.69 2b1j s LYS 7 Cb -0.81 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 31.60 2b1j s LYS 7 CO 0.46 -1.01 0.40 -0.06 -0.36 0.00 0.00 175.35 174.77 2b1j s PHE 8 N 3.44 3.60 -0.26 4.03 0.40 0.05 -1.36 117.98 127.88 2b1j s PHE 8 Ca 0.35 0.82 -0.02 0.00 -0.60 0.00 0.00 56.93 57.48 2b1j s PHE 8 Cb -0.12 -2.18 0.03 0.00 0.51 0.00 0.00 43.02 41.27 2b1j s PHE 8 CO 0.21 0.54 -0.04 -1.17 0.70 0.00 0.00 175.22 175.45 2b1j s LEU 9 N -1.79 3.40 -0.27 -0.37 2.96 -0.39 -0.14 118.68 122.08 2b1j s LEU 9 Ca 0.32 -0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 53.15 2b1j s LEU 9 Cb -0.14 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2b1j s LEU 9 CO 0.17 -0.16 0.17 -0.69 -1.32 0.00 0.00 176.35 174.52 2b1j s VAL 10 N 1.31 5.18 -0.19 1.68 1.01 0.16 -1.47 120.40 128.09 2b1j s VAL 10 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2b1j s VAL 10 Cb -0.17 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2b1j s VAL 10 CO -0.03 0.27 -0.14 -0.69 0.00 0.00 0.00 175.10 174.51 2b1j s VAL 11 N 1.66 2.64 -0.28 2.92 1.01 0.31 -1.14 120.40 127.53 2b1j s VAL 11 Ca 0.07 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 2b1j s VAL 11 Cb -0.16 -2.15 0.12 0.00 0.00 0.00 0.00 36.38 34.20 2b1j s VAL 11 CO 0.09 0.50 1.01 -0.62 0.00 0.00 0.00 175.10 176.08 2b1j s ASP 12 N 1.24 -0.47 0.50 3.32 -1.08 -0.97 0.04 116.67 119.24 2b1j s ASP 12 Ca 0.03 0.88 0.32 0.00 -0.52 0.00 0.00 52.55 53.26 2b1j s ASP 12 Cb -0.14 0.94 1.25 0.00 -1.46 0.00 0.00 42.92 43.52 2b1j s ASP 12 CO -0.07 -0.15 1.93 -2.24 0.52 0.00 0.00 175.17 175.16 2b1j h ASP 13 N 4.53 0.00 -3.28 -0.34 2.03 -1.80 -3.40 116.42 114.16 2b1j h ASP 13 Ca -0.28 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.35 2b1j h ASP 13 Cb 1.18 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.38 2b1j h ASP 13 CO 0.12 0.00 -0.79 0.72 -1.03 0.00 0.00 179.24 178.26 2b1j s PHE 14 N -3.59 2.83 0.27 4.15 -0.12 -1.26 -5.01 117.98 115.25 2b1j s PHE 14 Ca 0.02 -1.06 -0.07 0.00 -0.05 0.00 0.00 56.93 55.77 2b1j s PHE 14 Cb 0.09 -1.94 0.48 0.00 -0.63 0.00 0.00 43.02 41.01 2b1j s PHE 14 CO 0.53 -0.51 1.57 0.77 -0.05 0.00 0.00 175.22 177.53 2b1j h SER 15 N 7.54 -0.79 -0.86 1.98 0.02 -2.00 -1.09 113.55 118.35 2b1j h SER 15 Ca -0.36 0.28 0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2b1j h SER 15 Cb 1.18 0.56 -0.07 0.00 0.14 0.00 0.00 62.40 64.21 2b1j h SER 15 CO 0.59 -0.31 0.56 0.74 -1.14 0.00 0.00 176.83 177.26 2b1j h THR 16 N 0.01 0.84 -0.08 -2.27 2.02 -1.98 0.60 112.91 112.05 2b1j h THR 16 Ca 0.47 -0.22 -0.19 0.00 0.77 0.00 0.00 66.41 67.24 2b1j h THR 16 Cb 0.78 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2b1j h THR 16 CO -0.95 0.12 -0.75 -0.03 0.37 0.00 0.00 175.52 174.28 2b1j h MET 17 N 0.64 0.43 -0.28 6.66 -1.53 -1.61 -1.31 114.93 117.93 2b1j h MET 17 Ca 0.43 -0.36 -0.11 0.00 -3.44 0.00 0.00 59.70 56.22 2b1j h MET 17 Cb 0.72 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.84 2b1j h MET 17 CO -0.18 1.00 -0.29 0.00 0.14 0.00 0.00 176.91 177.58 2b1j h ARG 18 N 0.29 0.57 -0.26 0.39 3.08 -1.01 -1.75 114.38 115.70 2b1j h ARG 18 Ca -0.04 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 2b1j h ARG 18 Cb 1.33 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 2b1j h ARG 18 CO 0.13 0.79 0.03 -0.09 -1.07 0.00 0.00 179.97 179.76 2b1j h ARG 19 N 0.49 0.44 -0.14 0.04 9.65 -0.79 0.10 114.38 124.16 2b1j h ARG 19 Ca 0.06 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2b1j h ARG 19 Cb 0.75 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 2b1j h ARG 19 CO 0.06 0.57 0.00 0.82 2.80 0.00 0.00 179.97 184.23 2b1j h ILE 20 N 0.24 0.91 -0.42 1.20 2.04 -1.02 0.94 117.51 121.40 2b1j h ILE 20 Ca 0.08 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2b1j h ILE 20 Cb 0.36 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2b1j h ILE 20 CO 0.01 0.01 0.20 0.58 0.00 0.00 0.00 178.15 178.95 2b1j h VAL 21 N 0.06 1.18 -0.46 1.67 2.07 -1.24 -0.12 116.25 119.41 2b1j h VAL 21 Ca 0.07 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.14 2b1j h VAL 21 Cb 0.08 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2b1j h VAL 21 CO -0.11 0.19 0.17 -0.09 0.02 0.00 0.00 177.57 177.76 2b1j h ARG 22 N 0.54 0.34 -0.41 1.57 2.43 -0.30 -0.25 114.38 118.31 2b1j h ARG 22 Ca 0.14 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2b1j h ARG 22 Cb 0.12 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2b1j h ARG 22 CO -0.02 0.23 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.67 2b1j h ASN 23 N 0.36 0.70 0.14 -3.80 2.35 -0.50 -0.37 115.58 114.45 2b1j h ASN 23 Ca 0.21 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 2b1j h ASN 23 Cb 0.20 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2b1j h ASN 23 CO -0.21 0.83 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.91 2b1j h LEU 24 N 0.65 0.38 -0.19 1.61 3.38 -0.42 -0.12 115.31 120.61 2b1j h LEU 24 Ca 0.12 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2b1j h LEU 24 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2b1j h LEU 24 CO 0.03 0.76 -0.13 -0.07 0.09 0.00 0.00 178.44 179.13 2b1j h LEU 25 N 0.30 0.44 -0.39 1.67 3.38 -0.73 -2.17 115.31 117.81 2b1j h LEU 25 Ca 0.03 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.60 2b1j h LEU 25 Cb 0.87 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2b1j h LEU 25 CO 0.07 0.78 0.13 0.50 0.09 0.00 0.00 178.44 180.01 2b1j h LYS 26 N 0.10 0.27 -0.01 1.13 3.64 -0.86 0.13 116.57 120.98 2b1j h LYS 26 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2b1j h LYS 26 Cb 0.63 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2b1j h LYS 26 CO 0.03 0.18 0.01 1.49 -2.27 0.00 0.00 179.45 178.89 2b1j h GLU 27 N 0.28 0.00 -0.00 1.90 4.81 -0.89 0.13 114.58 120.80 2b1j h GLU 27 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2b1j h GLU 27 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2b1j h GLU 27 CO -0.19 0.00 -0.40 1.28 -0.73 0.00 0.00 179.01 178.97 2b1j n LEU 28 N -3.76 0.79 0.00 1.64 4.77 0.24 -4.94 117.00 115.75 2b1j n LEU 28 Ca -0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2b1j n LEU 28 Cb 0.09 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2b1j n LEU 28 CO 0.27 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2b1j n GLY 29 N 1.42 1.03 3.32 -0.72 0.00 0.45 -5.07 105.19 105.62 2b1j n GLY 29 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2b1j n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b1j s PHE 30 N -2.00 3.27 -0.41 1.61 0.08 0.00 -4.77 117.98 115.76 2b1j s PHE 30 Ca 0.00 -1.23 0.16 0.00 0.12 0.00 0.00 56.93 55.99 2b1j s PHE 30 Cb 0.00 -2.51 -0.21 0.00 -0.57 0.00 0.00 43.02 39.73 2b1j s PHE 30 CO 0.00 -0.72 0.53 0.09 -0.10 0.00 0.00 175.22 175.02 2b1j n ASN 31 N 4.93 0.98 -4.51 1.36 3.02 -1.26 -2.71 115.26 117.06 2b1j n ASN 31 Ca -0.12 -0.46 -0.43 0.00 -0.03 0.00 0.00 54.58 53.54 2b1j n ASN 31 Cb 0.45 1.35 -0.01 0.00 -0.61 0.00 0.00 39.78 40.96 2b1j n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2b1j s ASN 32 N -3.16 6.75 -0.06 6.41 2.47 -1.26 -4.94 114.94 121.15 2b1j s ASN 32 Ca 0.00 -2.21 0.04 0.00 0.42 0.00 0.00 52.86 51.12 2b1j s ASN 32 Cb 0.11 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 2b1j s ASN 32 CO 0.67 -1.13 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.05 2b1j s VAL 33 N 3.42 1.52 0.13 -5.21 1.01 -1.26 -0.77 120.40 119.23 2b1j s VAL 33 Ca 0.44 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.77 2b1j s VAL 33 Cb -0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2b1j s VAL 33 CO -0.03 0.44 -0.20 -1.61 0.00 0.00 0.00 175.10 173.69 2b1j s GLU 34 N 0.20 1.68 0.04 2.72 0.41 0.81 -4.97 118.70 119.59 2b1j s GLU 34 Ca -0.09 -1.25 0.07 0.00 -0.41 0.00 0.00 54.97 53.30 2b1j s GLU 34 Cb -0.14 -2.04 -0.03 0.00 -1.78 0.00 0.00 34.13 30.14 2b1j s GLU 34 CO 0.04 0.47 -0.18 -1.21 -0.49 0.00 0.00 175.26 173.89 2b1j s GLU 35 N -2.18 2.09 0.02 1.61 2.02 -1.26 0.40 118.70 121.40 2b1j s GLU 35 Ca 0.17 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.21 2b1j s GLU 35 Cb -0.10 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 2b1j s GLU 35 CO 0.09 0.54 -0.05 0.00 0.02 0.00 0.00 175.26 175.86 2b1j s ALA 36 N -0.93 0.41 -0.17 5.21 0.00 -0.29 -4.92 121.76 121.07 2b1j s ALA 36 Ca 0.15 -0.45 0.17 0.00 0.00 0.00 0.00 51.96 51.83 2b1j s ALA 36 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2b1j s ALA 36 CO 0.05 0.02 1.13 0.93 0.00 0.00 0.00 175.76 177.89 2b1j h GLU 37 N 5.30 0.00 -2.75 0.00 5.08 -1.87 -2.59 114.58 117.75 2b1j h GLU 37 Ca -0.31 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2b1j h GLU 37 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2b1j h GLU 37 CO 0.46 0.32 0.42 0.16 -1.00 0.00 0.00 179.01 179.36 2b1j s ASP 38 N -6.01 -0.03 0.20 1.42 1.47 -1.26 -3.06 116.67 109.40 2b1j s ASP 38 Ca 0.01 -0.85 -0.12 0.00 1.18 0.00 0.00 52.55 52.76 2b1j s ASP 38 Cb 0.08 0.67 0.24 0.00 -0.34 0.00 0.00 42.92 43.57 2b1j s ASP 38 CO 0.78 -1.31 1.66 1.23 0.68 0.00 0.00 175.17 178.21 2b1j h GLY 39 N 2.00 0.56 0.90 2.12 0.00 -1.16 0.31 103.07 107.81 2b1j h GLY 39 Ca -0.29 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2b1j h GLY 39 CO 0.36 -0.18 -0.11 -2.08 0.00 0.00 0.00 176.54 174.52 2b1j h VAL 40 N 0.09 0.80 -0.96 4.60 2.07 -1.88 -0.42 116.25 120.56 2b1j h VAL 40 Ca 0.29 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.67 2b1j h VAL 40 Cb 0.46 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2b1j h VAL 40 CO -0.50 0.05 0.62 -0.78 0.02 0.00 0.00 177.57 176.97 2b1j h ASP 41 N -0.42 0.97 0.08 0.57 3.58 -1.86 0.81 116.42 120.13 2b1j h ASP 41 Ca -0.03 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2b1j h ASP 41 Cb 0.32 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2b1j h ASP 41 CO 0.05 0.61 -0.04 0.00 -2.88 0.00 0.00 179.24 176.99 2b1j h ALA 42 N 1.49 -0.10 -0.97 -0.78 0.00 -0.08 -1.60 119.26 117.22 2b1j h ALA 42 Ca 0.42 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2b1j h ALA 42 Cb 0.21 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2b1j h ALA 42 CO -0.17 -0.49 0.63 -0.07 0.00 0.00 0.00 179.25 179.15 2b1j h LEU 43 N -0.23 1.07 -1.40 0.00 3.38 -0.24 0.33 115.31 118.22 2b1j h LEU 43 Ca -0.01 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2b1j h LEU 43 Cb 0.19 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2b1j h LEU 43 CO 0.02 0.75 0.43 0.78 0.09 0.00 0.00 178.44 180.51 2b1j h ASN 44 N 1.25 0.68 0.34 -0.43 4.21 -0.59 -1.65 115.58 119.38 2b1j h ASN 44 Ca 0.37 -0.01 -0.33 0.00 1.21 0.00 0.00 56.30 57.55 2b1j h ASN 44 Cb -0.05 -0.16 0.02 0.00 -1.12 0.00 0.00 38.32 37.01 2b1j h ASN 44 CO -0.11 0.47 -1.53 0.11 -1.29 0.00 0.00 177.43 175.08 2b1j h LYS 45 N 0.79 0.41 -0.02 0.81 1.57 -0.18 -3.31 116.57 116.64 2b1j h LYS 45 Ca 0.26 -0.70 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2b1j h LYS 45 Cb 0.06 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2b1j h LYS 45 CO -0.07 1.32 0.01 -0.07 -0.57 0.00 0.00 179.45 180.07 2b1j h LEU 46 N 0.11 0.00 -1.54 2.94 3.38 0.05 -1.69 115.31 118.56 2b1j h LEU 46 Ca -0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2b1j h LEU 46 Cb 2.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 2b1j h LEU 46 CO 0.22 0.00 0.31 1.56 0.09 0.00 0.00 178.44 180.62 2b1j h GLN 47 N 0.00 0.62 0.00 1.13 4.20 -1.40 0.27 115.11 119.92 2b1j h GLN 47 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2b1j h GLN 47 Cb 0.03 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2b1j h GLN 47 CO -0.00 0.41 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 2b1j n ALA 48 N -2.47 1.37 -1.45 3.87 0.00 -0.63 -4.93 120.51 116.27 2b1j n ALA 48 Ca 0.04 -0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.66 2b1j n ALA 48 Cb 0.06 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 2b1j n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b1j n GLY 49 N -1.08 -2.36 0.79 0.00 0.00 0.08 -4.94 105.19 97.68 2b1j n GLY 49 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2b1j n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b1j n GLY 50 N -4.28 0.71 3.80 -0.02 0.00 -1.26 -4.98 105.19 99.16 2b1j n GLY 50 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2b1j n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b1j s TYR 51 N -2.39 3.72 -0.61 1.61 2.02 -1.26 -4.61 117.35 115.83 2b1j s TYR 51 Ca 0.00 1.11 0.06 0.00 -0.37 0.00 0.00 57.07 57.88 2b1j s TYR 51 Cb 0.00 -2.45 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 2b1j s TYR 51 CO 0.00 0.52 0.53 0.41 -1.57 0.00 0.00 175.55 175.43 2b1j n GLY 52 N 2.07 -0.31 3.62 0.71 0.00 -0.46 -4.98 105.19 105.84 2b1j n GLY 52 Ca -0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2b1j n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2b1j s PHE 53 N -0.95 -0.81 -0.09 1.61 2.19 -1.17 -4.36 117.98 114.40 2b1j s PHE 53 Ca 0.06 1.93 0.03 0.00 0.33 0.00 0.00 56.93 59.28 2b1j s PHE 53 Cb 0.05 0.30 0.01 0.00 -1.31 0.00 0.00 43.02 42.07 2b1j s PHE 53 CO 0.15 -0.39 -0.18 0.08 1.83 0.00 0.00 175.22 176.71 2b1j s VAL 54 N 0.50 1.58 -0.28 3.12 1.01 -0.74 -1.27 120.40 124.31 2b1j s VAL 54 Ca -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2b1j s VAL 54 Cb -0.05 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.98 2b1j s VAL 54 CO -0.01 0.45 -0.04 -0.63 0.00 0.00 0.00 175.10 174.88 2b1j s ILE 55 N 0.58 2.77 -0.02 2.22 1.01 -0.54 -0.36 121.20 126.86 2b1j s ILE 55 Ca -0.15 -1.40 0.08 0.00 0.00 0.00 0.00 60.65 59.17 2b1j s ILE 55 Cb -0.17 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 2b1j s ILE 55 CO 0.05 -0.05 -0.26 -0.55 0.00 0.00 0.00 174.94 174.13 2b1j s SER 56 N 1.22 3.08 0.93 3.58 0.15 -0.59 -0.53 113.70 121.54 2b1j s SER 56 Ca -0.06 -0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.01 2b1j s SER 56 Cb -0.19 -0.39 0.15 0.00 -1.71 0.00 0.00 66.02 63.87 2b1j s SER 56 CO -0.02 0.32 1.11 -0.62 1.20 0.00 0.00 173.24 175.22 2b1j s ASP 57 N -0.58 3.29 -0.17 5.45 2.15 0.11 -0.85 116.67 126.06 2b1j s ASP 57 Ca 0.09 1.17 -0.14 0.00 0.43 0.00 0.00 52.55 54.11 2b1j s ASP 57 Cb -0.10 -1.82 -0.07 0.00 -0.30 0.00 0.00 42.92 40.63 2b1j s ASP 57 CO -0.01 -2.71 -0.20 1.87 -0.17 0.00 0.00 175.17 173.96 2b1j n TRP 58 N -3.90 0.59 -2.94 -5.34 -0.00 -1.26 -3.66 117.44 100.93 2b1j n TRP 58 Ca 0.06 0.26 -0.43 0.00 -0.00 0.00 0.00 57.50 57.39 2b1j n TRP 58 Cb 0.57 -0.75 -0.05 0.00 -0.00 0.00 0.00 31.31 31.09 2b1j n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2b1j s ASN 59 N -6.06 6.46 0.00 5.87 0.01 -1.26 -0.02 114.94 119.94 2b1j s ASN 59 Ca -0.23 0.03 -0.10 0.00 -0.71 0.00 0.00 52.86 51.85 2b1j s ASN 59 Cb 0.04 -2.40 0.01 0.00 0.41 0.00 0.00 41.25 39.31 2b1j s ASN 59 CO 0.35 -0.90 0.21 -0.04 -1.51 0.00 0.00 177.10 175.21 2b1j s MET 60 N 3.33 0.58 0.77 -0.60 -1.94 -1.26 -4.64 119.30 115.54 2b1j s MET 60 Ca 0.31 -0.36 -0.12 0.00 -1.71 0.00 0.00 55.69 53.82 2b1j s MET 60 Cb -0.12 0.25 0.06 0.00 2.01 0.00 0.00 34.83 37.02 2b1j s MET 60 CO 0.22 -0.15 1.13 -1.25 -0.01 0.00 0.00 175.02 174.95 2b1j s PRO 61 N -1.53 2.28 0.00 2.03 0.04 -1.26 -3.54 135.00 133.02 2b1j s PRO 61 Ca -0.13 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2b1j s PRO 61 Cb -0.06 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2b1j s PRO 61 CO 0.02 -1.42 0.00 0.09 0.04 0.00 0.00 177.00 175.73 2b1j n ASN 62 N -3.25 0.00 -3.15 6.66 3.02 -1.26 -4.42 115.26 112.86 2b1j n ASN 62 Ca 0.07 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.67 2b1j n ASN 62 Cb 0.58 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.74 2b1j n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2b1j s MET 63 N 0.00 0.45 1.14 3.52 1.75 -1.26 -4.83 119.30 120.08 2b1j s MET 63 Ca 0.00 0.71 -0.17 0.00 -1.25 0.00 0.00 55.69 54.98 2b1j s MET 63 Cb 0.00 0.38 0.26 0.00 2.84 0.00 0.00 34.83 38.31 2b1j s MET 63 CO 0.00 -0.57 1.12 0.16 -0.65 0.00 0.00 175.02 175.08 2b1j s ASP 64 N 2.88 1.42 0.10 1.11 1.47 -1.23 -0.77 116.67 121.65 2b1j s ASP 64 Ca 0.14 0.73 -0.29 0.00 1.18 0.00 0.00 52.55 54.32 2b1j s ASP 64 Cb -0.12 -1.06 -0.11 0.00 -0.34 0.00 0.00 42.92 41.29 2b1j s ASP 64 CO -0.20 -3.83 1.63 1.23 0.68 0.00 0.00 175.17 174.69 2b1j h GLY 65 N -2.38 -0.61 0.38 2.12 0.00 -0.51 -1.24 103.07 100.84 2b1j h GLY 65 Ca -0.47 0.33 0.11 0.00 0.00 0.00 0.00 47.33 47.29 2b1j h GLY 65 CO 0.40 -0.25 0.33 -2.00 0.00 0.00 0.00 176.54 175.02 2b1j h LEU 66 N -0.57 0.39 -0.62 3.11 5.85 -1.85 0.30 115.31 121.93 2b1j h LEU 66 Ca 0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2b1j h LEU 66 Cb 0.54 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2b1j h LEU 66 CO -0.09 0.21 0.22 -0.08 -0.34 0.00 0.00 178.44 178.37 2b1j h GLU 67 N 0.54 0.94 -0.42 1.25 4.57 -1.89 0.04 114.58 119.62 2b1j h GLU 67 Ca 0.36 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2b1j h GLU 67 Cb 0.43 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2b1j h GLU 67 CO -0.30 0.82 0.27 1.25 -1.18 0.00 0.00 179.01 179.86 2b1j h LEU 68 N 0.87 0.45 0.34 1.64 5.85 0.17 0.01 115.31 124.63 2b1j h LEU 68 Ca 0.20 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2b1j h LEU 68 Cb 0.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2b1j h LEU 68 CO -0.01 0.32 -0.16 0.25 -0.34 0.00 0.00 178.44 178.50 2b1j h LEU 69 N 0.54 -0.38 -0.87 2.25 5.85 -0.08 0.70 115.31 123.32 2b1j h LEU 69 Ca 0.16 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.97 2b1j h LEU 69 Cb -0.03 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 2b1j h LEU 69 CO -0.05 -0.25 0.52 0.11 -0.34 0.00 0.00 178.44 178.43 2b1j h LYS 70 N -0.48 0.83 -0.35 1.25 1.57 -0.79 0.12 116.57 118.71 2b1j h LYS 70 Ca -0.05 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2b1j h LYS 70 Cb 0.37 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2b1j h LYS 70 CO 0.08 0.55 0.11 1.15 -0.57 0.00 0.00 179.45 180.77 2b1j h THR 71 N 0.85 1.21 -0.11 -0.16 2.02 -0.66 -1.26 112.91 114.80 2b1j h THR 71 Ca 0.42 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2b1j h THR 71 Cb 0.39 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2b1j h THR 71 CO -0.25 0.23 0.07 0.40 0.37 0.00 0.00 175.52 176.34 2b1j h ILE 72 N 0.42 1.02 0.00 3.11 2.04 0.19 -1.94 117.51 122.34 2b1j h ILE 72 Ca 0.11 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2b1j h ILE 72 Cb 0.24 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2b1j h ILE 72 CO -0.00 0.03 -0.09 0.03 0.00 0.00 0.00 178.15 178.11 2b1j h ARG 73 N 0.14 0.00 0.00 2.37 2.47 -0.65 -2.16 114.38 116.55 2b1j h ARG 73 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2b1j h ARG 73 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2b1j h ARG 73 CO -0.01 0.09 -0.75 0.00 0.56 0.00 0.00 179.97 179.86 2b1j n ALA 74 N -2.32 3.05 -2.71 0.04 0.00 -0.49 -4.62 120.51 113.46 2b1j n ALA 74 Ca -0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 2b1j n ALA 74 Cb 0.19 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2b1j n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2b1j s ASP 75 N -4.15 7.32 0.34 0.00 -1.08 -0.77 -4.94 116.67 113.39 2b1j s ASP 75 Ca 0.05 1.59 0.04 0.00 -0.52 0.00 0.00 52.55 53.71 2b1j s ASP 75 Cb 0.14 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.71 2b1j s ASP 75 CO 0.74 -0.24 1.95 1.23 0.52 0.00 0.00 175.17 179.38 2b1j h GLY 76 N 6.78 1.05 1.32 2.66 0.00 -1.88 0.24 103.07 113.23 2b1j h GLY 76 Ca -0.41 -0.34 -0.32 0.00 0.00 0.00 0.00 47.33 46.25 2b1j h GLY 76 CO 0.75 0.27 -1.41 0.00 0.00 0.00 0.00 176.54 176.14 2b1j h ALA 77 N 1.57 -0.10 -0.00 3.60 0.00 -1.92 -3.35 119.26 119.06 2b1j h ALA 77 Ca 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2b1j h ALA 77 Cb 0.18 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2b1j h ALA 77 CO -0.11 0.73 -0.59 -1.33 0.00 0.00 0.00 179.25 177.96 2b1j n MET 78 N -3.70 0.20 -0.23 0.00 2.81 -1.15 -4.61 117.12 110.44 2b1j n MET 78 Ca -0.15 -0.13 0.08 0.00 -1.81 0.00 0.00 57.70 55.68 2b1j n MET 78 Cb 1.08 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 32.25 2b1j n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2b1j n SER 79 N -1.28 -0.12 -0.49 7.83 2.88 0.83 -0.07 113.62 123.19 2b1j n SER 79 Ca 0.06 1.10 0.14 0.00 -1.33 0.00 0.00 58.87 58.84 2b1j n SER 79 Cb 0.34 -0.38 0.51 0.00 -0.75 0.00 0.00 64.21 63.94 2b1j n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b1j n ALA 80 N -3.47 2.57 -1.68 -1.46 0.00 -1.26 -4.55 120.51 110.66 2b1j n ALA 80 Ca 0.14 -0.45 -0.45 0.00 0.00 0.00 0.00 53.44 52.67 2b1j n ALA 80 Cb 0.44 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 2b1j n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2b1j n LEU 81 N 0.19 3.72 -4.76 0.00 7.94 0.90 -4.91 117.00 120.08 2b1j n LEU 81 Ca 0.19 0.96 -0.41 0.00 -1.11 0.00 0.00 56.01 55.64 2b1j n LEU 81 Cb 0.35 -1.45 -0.02 0.00 0.53 0.00 0.00 43.42 42.84 2b1j n LEU 81 CO 0.16 0.04 1.13 -2.84 -1.11 0.00 0.00 177.39 174.77 2b1j s PRO 82 N 3.70 4.20 -0.16 1.96 0.02 -1.26 -4.92 135.00 138.54 2b1j s PRO 82 Ca 0.89 2.43 -0.02 0.00 0.02 0.00 0.00 61.00 64.33 2b1j s PRO 82 Cb -0.58 -3.04 0.05 0.00 0.02 0.00 0.00 34.50 30.94 2b1j s PRO 82 CO 0.45 -0.47 -0.00 0.08 -0.33 0.00 0.00 177.00 176.73 2b1j s VAL 83 N -0.44 0.72 -0.31 3.83 1.01 -1.26 -1.79 120.40 122.15 2b1j s VAL 83 Ca 0.57 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 2b1j s VAL 83 Cb -0.44 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2b1j s VAL 83 CO 0.51 0.01 0.20 -0.22 0.00 0.00 0.00 175.10 175.60 2b1j s LEU 84 N 1.79 4.23 -0.02 3.92 2.96 0.51 -0.75 118.68 131.33 2b1j s LEU 84 Ca 0.01 -0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.33 2b1j s LEU 84 Cb -0.15 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 2b1j s LEU 84 CO -0.07 -0.16 0.97 -0.04 -1.32 0.00 0.00 176.35 175.73 2b1j s MET 85 N 1.71 4.53 -0.51 1.98 -1.94 -0.54 -1.55 119.30 122.98 2b1j s MET 85 Ca 0.06 1.39 0.07 0.00 -1.71 0.00 0.00 55.69 55.50 2b1j s MET 85 Cb -0.17 -3.48 0.26 0.00 2.01 0.00 0.00 34.83 33.46 2b1j s MET 85 CO 0.10 -0.10 0.65 0.28 -0.01 0.00 0.00 175.02 175.94 2b1j n VAL 86 N 4.02 0.89 -3.26 -6.03 0.31 -0.03 -0.16 118.33 114.06 2b1j n VAL 86 Ca 0.06 -4.66 -0.21 0.00 -0.01 0.00 0.00 64.34 59.53 2b1j n VAL 86 Cb 0.51 -1.92 0.03 0.00 -0.91 0.00 0.00 33.84 31.54 2b1j n VAL 86 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2b1j s THR 87 N -1.97 2.23 -0.18 2.52 -1.32 -0.94 -4.59 115.64 111.39 2b1j s THR 87 Ca 0.38 -1.14 -0.25 0.00 -1.21 0.00 0.00 61.69 59.48 2b1j s THR 87 Cb 0.17 -2.37 -0.22 0.00 -1.51 0.00 0.00 72.50 68.57 2b1j s THR 87 CO -0.06 0.00 0.46 0.00 -2.21 0.00 0.00 174.62 172.80 2b1j h ALA 88 N 0.46 0.14 -2.65 11.08 0.00 -1.85 0.54 119.26 126.99 2b1j h ALA 88 Ca -0.34 -0.88 -0.52 0.00 0.00 0.00 0.00 54.91 53.16 2b1j h ALA 88 Cb 1.29 0.41 0.03 0.00 0.00 0.00 0.00 17.79 19.51 2b1j h ALA 88 CO 0.47 0.38 0.65 -1.83 0.00 0.00 0.00 179.25 178.92 2b1j s GLU 89 N -2.29 4.39 -0.24 0.00 -1.05 -1.26 -4.58 118.70 113.66 2b1j s GLU 89 Ca -0.24 2.02 0.10 0.00 -0.15 0.00 0.00 54.97 56.70 2b1j s GLU 89 Cb 0.02 -3.22 0.46 0.00 -0.44 0.00 0.00 34.13 30.95 2b1j s GLU 89 CO 0.63 -0.26 1.32 0.00 0.95 0.00 0.00 175.26 177.90 2b1j n ALA 90 N 2.88 3.93 -1.65 -0.84 0.00 -1.26 -4.99 120.51 118.58 2b1j n ALA 90 Ca 0.07 -3.24 -0.45 0.00 0.00 0.00 0.00 53.44 49.82 2b1j n ALA 90 Cb 0.43 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 2b1j n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2b1j n LYS 91 N -1.12 1.82 -0.19 0.00 5.02 -1.26 -4.85 118.16 117.57 2b1j n LYS 91 Ca 0.25 0.65 0.05 0.00 -2.02 0.00 0.00 58.31 57.24 2b1j n LYS 91 Cb 0.84 -2.25 0.33 0.00 -0.02 0.00 0.00 35.03 33.93 2b1j n LYS 91 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2b1j h LYS 92 N 3.77 0.79 0.00 1.97 3.64 -2.00 -1.81 116.57 122.93 2b1j h LYS 92 Ca -0.44 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 58.77 2b1j h LYS 92 Cb 1.29 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 2b1j h LYS 92 CO 0.73 0.52 -0.56 0.93 -2.27 0.00 0.00 179.45 178.79 2b1j h GLU 93 N 0.81 0.00 -0.70 1.90 4.39 -1.99 -1.67 114.58 117.31 2b1j h GLU 93 Ca 0.31 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.96 2b1j h GLU 93 Cb 0.20 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2b1j h GLU 93 CO -0.10 0.56 0.24 -0.91 -1.16 0.00 0.00 179.01 177.64 2b1j h ASN 94 N 0.00 1.00 -0.18 1.42 2.35 -1.71 0.18 115.58 118.64 2b1j h ASN 94 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2b1j h ASN 94 Cb 1.21 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 2b1j h ASN 94 CO 0.07 0.93 0.11 0.40 -1.65 0.00 0.00 177.43 177.30 2b1j h ILE 95 N 1.02 1.06 0.23 2.81 1.08 -1.26 0.19 117.51 122.65 2b1j h ILE 95 Ca 0.23 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.55 2b1j h ILE 95 Cb 0.27 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2b1j h ILE 95 CO -0.01 0.06 -0.18 0.40 -0.69 0.00 0.00 178.15 177.73 2b1j h ILE 96 N 0.23 0.61 -0.22 -0.67 1.08 -0.95 -1.17 117.51 116.42 2b1j h ILE 96 Ca 0.07 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 2b1j h ILE 96 Cb 0.00 0.61 -0.05 0.00 -3.07 0.00 0.00 36.82 34.31 2b1j h ILE 96 CO -0.01 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 177.32 2b1j h ALA 97 N 0.32 0.06 -0.59 1.87 0.00 -0.42 0.19 119.26 120.68 2b1j h ALA 97 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2b1j h ALA 97 Cb 0.37 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2b1j h ALA 97 CO -0.01 -0.54 0.34 0.00 0.00 0.00 0.00 179.25 179.04 2b1j h ALA 98 N 1.07 0.78 -0.46 0.00 0.00 -0.49 0.42 119.26 120.59 2b1j h ALA 98 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2b1j h ALA 98 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2b1j h ALA 98 CO -0.29 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 178.97 2b1j h ALA 99 N 1.29 1.11 0.05 0.00 0.00 -0.77 0.28 119.26 121.21 2b1j h ALA 99 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2b1j h ALA 99 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2b1j h ALA 99 CO -0.14 0.57 -0.02 0.37 0.00 0.00 0.00 179.25 180.02 2b1j h GLN 100 N 0.71 -0.06 0.00 0.00 4.15 0.73 -2.04 115.11 118.60 2b1j h GLN 100 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2b1j h GLN 100 Cb 0.47 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2b1j h GLN 100 CO 0.02 0.15 0.00 0.00 -1.93 0.00 0.00 178.83 177.07 2b1j n ALA 101 N -2.22 1.25 -0.24 3.38 0.00 0.13 -4.83 120.51 117.98 2b1j n ALA 101 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2b1j n ALA 101 Cb 0.14 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2b1j n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b1j n GLY 102 N -0.91 1.64 3.77 0.00 0.00 -0.69 -4.70 105.19 104.31 2b1j n GLY 102 Ca 0.01 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2b1j n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b1j s ALA 103 N -2.00 3.49 0.09 4.61 0.00 0.90 -4.83 121.76 124.01 2b1j s ALA 103 Ca 0.00 1.33 0.14 0.00 0.00 0.00 0.00 51.96 53.43 2b1j s ALA 103 Cb 0.00 -3.51 0.26 0.00 0.00 0.00 0.00 23.12 19.87 2b1j s ALA 103 CO 0.00 -0.75 1.53 0.77 0.00 0.00 0.00 175.76 177.31 2b1j h SER 104 N 3.22 0.00 -5.55 0.00 0.02 -1.27 -3.44 113.55 106.53 2b1j h SER 104 Ca -0.49 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2b1j h SER 104 Cb 1.23 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.68 2b1j h SER 104 CO 0.65 0.59 0.66 -0.83 -1.14 0.00 0.00 176.83 176.76 2b1j s GLY 105 N -4.48 -0.27 -0.03 -3.77 0.00 -1.20 -4.89 107.32 92.67 2b1j s GLY 105 Ca 0.01 0.32 -0.01 0.00 0.00 0.00 0.00 44.72 45.04 2b1j s GLY 105 CO 0.75 0.52 0.06 -0.47 0.00 0.00 0.00 173.10 173.96 2b1j s TYR 106 N -2.76 -0.04 -0.04 1.90 6.14 -1.26 -1.47 117.35 119.82 2b1j s TYR 106 Ca 0.15 0.22 0.01 0.00 0.64 0.00 0.00 57.07 58.09 2b1j s TYR 106 Cb 0.01 -0.14 0.02 0.00 0.42 0.00 0.00 41.96 42.27 2b1j s TYR 106 CO -0.00 -0.09 -0.05 0.08 0.64 0.00 0.00 175.55 176.13 2b1j s VAL 107 N 0.85 0.54 -0.21 3.14 1.01 0.77 -4.96 120.40 121.54 2b1j s VAL 107 Ca -0.07 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 2b1j s VAL 107 Cb -0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2b1j s VAL 107 CO -0.03 0.22 0.52 -0.69 0.00 0.00 0.00 175.10 175.12 2b1j s VAL 108 N 0.76 5.10 0.39 2.92 1.01 -1.25 -2.21 120.40 127.11 2b1j s VAL 108 Ca -0.10 0.95 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 2b1j s VAL 108 Cb -0.13 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 2b1j s VAL 108 CO 0.00 0.16 0.86 -1.59 0.00 0.00 0.00 175.10 174.53 2b1j s LYS 109 N 1.77 4.11 0.30 2.72 -2.85 0.19 -3.83 119.74 122.15 2b1j s LYS 109 Ca 0.24 0.90 -0.27 0.00 -1.00 0.00 0.00 55.97 55.84 2b1j s LYS 109 Cb -0.15 -2.29 -0.10 0.00 -2.06 0.00 0.00 37.83 33.23 2b1j s LYS 109 CO 0.09 0.03 0.93 -1.25 0.10 0.00 0.00 175.35 175.26 2b1j s PRO 110 N -3.18 4.63 0.33 1.78 0.04 -1.26 -4.50 135.00 132.84 2b1j s PRO 110 Ca 0.58 1.34 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2b1j s PRO 110 Cb -0.10 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.46 2b1j s PRO 110 CO 0.16 0.34 0.02 -0.59 0.04 0.00 0.00 177.00 176.97 2b1j s PHE 111 N -1.51 2.06 0.40 0.56 -0.12 -1.25 -5.16 117.98 112.97 2b1j s PHE 111 Ca 0.48 -0.83 0.08 0.00 -0.05 0.00 0.00 56.93 56.60 2b1j s PHE 111 Cb -0.20 -1.32 -0.03 0.00 -0.63 0.00 0.00 43.02 40.83 2b1j s PHE 111 CO 0.25 0.17 0.30 0.95 -0.05 0.00 0.00 175.22 176.84 2b1j s THR 112 N -3.11 2.65 0.27 -4.49 -4.23 -1.26 -5.00 115.64 100.48 2b1j s THR 112 Ca 0.34 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.36 2b1j s THR 112 Cb 0.08 -3.01 0.27 0.00 1.34 0.00 0.00 72.50 71.18 2b1j s THR 112 CO 0.15 -0.03 1.90 0.00 -0.54 0.00 0.00 174.62 176.10 2b1j h ALA 113 N 1.19 1.41 -0.18 3.99 0.00 -1.99 -1.66 119.26 122.02 2b1j h ALA 113 Ca -0.42 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2b1j h ALA 113 Cb 1.26 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2b1j h ALA 113 CO 0.61 0.46 0.05 0.00 0.00 0.00 0.00 179.25 180.37 2b1j h ALA 114 N 1.46 0.19 -0.66 0.00 0.00 -1.98 0.27 119.26 118.53 2b1j h ALA 114 Ca 0.41 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 2b1j h ALA 114 Cb 0.12 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2b1j h ALA 114 CO -0.15 -0.39 0.29 1.15 0.00 0.00 0.00 179.25 180.16 2b1j h THR 115 N 0.13 1.23 -0.25 0.00 2.02 -1.81 -0.34 112.91 113.89 2b1j h THR 115 Ca 0.08 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 2b1j h THR 115 Cb 0.06 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2b1j h THR 115 CO -0.10 0.28 0.02 0.25 0.37 0.00 0.00 175.52 176.35 2b1j h LEU 116 N 0.93 0.41 -0.55 2.58 5.85 -0.98 -1.16 115.31 122.39 2b1j h LEU 116 Ca 0.22 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.74 2b1j h LEU 116 Cb 0.16 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 2b1j h LEU 116 CO -0.02 0.59 0.19 -0.08 -0.34 0.00 0.00 178.44 178.78 2b1j h GLU 117 N 0.22 0.35 0.39 1.25 4.81 -0.24 0.18 114.58 121.55 2b1j h GLU 117 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2b1j h GLU 117 Cb 0.37 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2b1j h GLU 117 CO 0.01 0.23 -0.46 1.49 -0.73 0.00 0.00 179.01 179.55 2b1j h GLU 118 N 0.36 -0.83 -0.51 1.92 4.81 -0.75 -0.32 114.58 119.26 2b1j h GLU 118 Ca 0.27 0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.63 2b1j h GLU 118 Cb 0.32 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 2b1j h GLU 118 CO -0.29 -0.56 0.18 0.87 -0.73 0.00 0.00 179.01 178.49 2b1j h LYS 119 N -0.87 0.35 -0.87 1.92 1.79 -0.68 -1.45 116.57 116.76 2b1j h LYS 119 Ca -0.05 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2b1j h LYS 119 Cb 0.77 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.30 2b1j h LYS 119 CO -0.09 0.23 0.52 -0.07 -1.08 0.00 0.00 179.45 178.95 2b1j h LEU 120 N 0.36 1.05 -0.61 2.94 3.38 -0.50 -2.05 115.31 119.87 2b1j h LEU 120 Ca 0.25 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2b1j h LEU 120 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2b1j h LEU 120 CO -0.25 0.81 0.31 0.78 0.09 0.00 0.00 178.44 180.18 2b1j h ASN 121 N 1.19 0.77 0.14 -0.43 2.35 -0.11 0.17 115.58 119.67 2b1j h ASN 121 Ca 0.31 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 2b1j h ASN 121 Cb -0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2b1j h ASN 121 CO -0.06 0.66 -0.33 0.50 -1.65 0.00 0.00 177.43 176.56 2b1j h LYS 122 N 0.83 0.28 0.01 0.81 3.64 -1.03 -1.16 116.57 119.95 2b1j h LYS 122 Ca 0.21 -0.11 -0.26 0.00 -1.27 0.00 0.00 60.65 59.22 2b1j h LYS 122 Cb 0.08 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2b1j h LYS 122 CO -0.03 0.58 -1.05 0.82 -2.27 0.00 0.00 179.45 177.50 2b1j h ILE 123 N 0.24 1.31 -0.01 2.00 2.04 -0.99 0.18 117.51 122.28 2b1j h ILE 123 Ca 0.03 -2.32 -0.06 0.00 1.00 0.00 0.00 64.86 63.51 2b1j h ILE 123 Cb 0.70 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 2b1j h ILE 123 CO 0.05 0.71 -0.29 -0.26 0.00 0.00 0.00 178.15 178.36 2b1j h PHE 124 N 0.35 0.02 0.15 1.37 0.04 -0.50 -2.37 116.94 116.00 2b1j h PHE 124 Ca -0.13 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 2b1j h PHE 124 Cb 1.70 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.85 2b1j h PHE 124 CO 0.09 0.31 -0.07 1.49 -0.60 0.00 0.00 178.31 179.53 2b1j h GLU 125 N 0.01 -0.20 -1.48 1.51 4.57 -1.09 -2.08 114.58 115.82 2b1j h GLU 125 Ca -0.00 0.01 0.43 0.00 -1.18 0.00 0.00 59.36 58.63 2b1j h GLU 125 Cb 0.52 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 2b1j h GLU 125 CO 0.04 -0.13 1.05 -0.22 -1.18 0.00 0.00 179.01 178.57 2b1j h LYS 126 N -0.70 0.03 0.00 1.92 1.63 -0.65 -3.34 116.57 115.46 2b1j h LYS 126 Ca -0.02 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2b1j h LYS 126 Cb 0.16 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2b1j h LYS 126 CO 0.03 0.02 0.00 1.28 -3.45 0.00 0.00 179.45 177.34 2b1j n LEU 127 N -4.18 0.00 0.00 5.20 4.32 -0.89 -5.09 117.00 116.36 2b1j n LEU 127 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 2b1j n LEU 127 Cb 1.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 43.33 2b1j n LEU 127 CO 0.39 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 2b1j n GLY 128 N 4.92 -1.89 0.00 -0.72 0.00 -0.80 -5.03 105.19 101.67 2b1j n GLY 128 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2b1j n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35