#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2j n GLU 25 N 0.00 0.00 0.15 0.54 -0.58 -1.26 -4.06 120.64 115.43 2a2j n GLU 25 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 2a2j n GLU 25 Cb 0.00 0.00 0.51 0.00 -0.57 0.00 0.00 31.44 31.38 2a2j n GLU 25 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2a2j h LYS 26 N 0.00 0.22 -0.57 3.49 1.57 -1.90 0.40 116.57 119.78 2a2j h LYS 26 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2a2j h LYS 26 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2a2j h LYS 26 CO 0.00 0.20 0.00 -0.40 -0.57 0.00 0.00 179.45 178.68 2a2j n ASP 27 N -4.45 3.54 -2.07 0.86 3.85 -1.21 -4.54 116.55 112.52 2a2j n ASP 27 Ca -0.01 -1.99 -0.12 0.00 -0.71 0.00 0.00 54.79 51.96 2a2j n ASP 27 Cb 0.12 -0.38 0.04 0.00 -1.35 0.00 0.00 41.12 39.56 2a2j n ASP 27 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2a2j n GLY 28 N 1.22 0.15 2.53 6.12 0.00 0.14 -5.13 105.19 110.22 2a2j n GLY 28 Ca 0.19 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2a2j n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a2j n GLY 30 N -1.28 1.62 3.73 -0.02 0.00 -1.26 -5.04 105.19 102.93 2a2j n GLY 30 Ca -0.00 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 2a2j n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a2j s ASP 31 N -3.41 6.63 0.30 1.61 1.01 -1.26 -4.98 116.67 116.57 2a2j s ASP 31 Ca 0.40 2.61 -0.29 0.00 0.71 0.00 0.00 52.55 55.99 2a2j s ASP 31 Cb -0.03 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 2a2j s ASP 31 CO 0.26 -0.77 1.30 -0.22 0.21 0.00 0.00 175.17 175.96 2a2j s LEU 32 N 0.56 4.43 0.24 1.23 2.96 -1.26 -4.99 118.68 121.85 2a2j s LEU 32 Ca 0.66 2.61 -0.11 0.00 -0.22 0.00 0.00 54.13 57.07 2a2j s LEU 32 Cb -0.42 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.62 2a2j s LEU 32 CO 0.36 -0.52 0.43 -0.62 -1.32 0.00 0.00 176.35 174.68 2a2j s ASP 33 N -0.31 -0.06 0.44 3.68 -1.08 -1.26 -4.87 116.67 113.21 2a2j s ASP 33 Ca 0.51 -0.99 0.21 0.00 -0.52 0.00 0.00 52.55 51.76 2a2j s ASP 33 Cb -0.39 0.56 1.18 0.00 -1.46 0.00 0.00 42.92 42.81 2a2j s ASP 33 CO 0.49 -1.10 1.82 -0.26 0.52 0.00 0.00 175.17 176.63 2a2j h PHE 34 N 2.30 0.48 0.00 -5.34 0.04 -2.00 0.96 116.94 113.39 2a2j h PHE 34 Ca -0.27 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.47 2a2j h PHE 34 Cb 1.25 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 2a2j h PHE 34 CO 0.39 0.08 -0.21 0.38 -0.60 0.00 0.00 178.31 178.35 2a2j h ASP 35 N 0.32 0.00 0.18 2.17 2.03 -1.98 -1.44 116.42 117.69 2a2j h ASP 35 Ca 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 2a2j h ASP 35 Cb 1.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.98 2a2j h ASP 35 CO -0.19 0.21 0.00 -0.50 -1.03 0.00 0.00 179.24 177.73 2a2j h TRP 36 N 0.00 0.00 -0.04 4.15 4.06 -1.19 -1.62 115.95 121.31 2a2j h TRP 36 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2a2j h TRP 36 Cb 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 2a2j h TRP 36 CO 0.00 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.16 2a2j n LEU 37 N -3.04 1.87 -0.32 -4.49 7.99 -0.55 -4.64 117.00 113.84 2a2j n LEU 37 Ca -0.02 -0.65 0.18 0.00 -0.01 0.00 0.00 56.01 55.51 2a2j n LEU 37 Cb 0.11 -0.02 0.37 0.00 -0.11 0.00 0.00 43.42 43.77 2a2j n LEU 37 CO 0.21 0.32 0.94 0.44 -1.51 0.00 0.00 177.39 177.79 2a2j h ASP 38 N 2.88 -0.03 -0.66 -1.43 3.45 -1.33 0.49 116.42 119.79 2a2j h ASP 38 Ca 0.00 0.23 -0.28 0.00 0.43 0.00 0.00 57.03 57.42 2a2j h ASP 38 Cb 0.61 0.32 -0.17 0.00 -0.56 0.00 0.00 39.33 39.54 2a2j h ASP 38 CO 0.00 -0.27 0.35 0.47 -1.57 0.00 0.00 179.24 178.22 2a2j n ASP 39 N -5.30 3.85 0.00 6.45 8.00 -1.26 -5.04 116.55 123.24 2a2j n ASP 39 Ca 0.26 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.70 2a2j n ASP 39 Cb 0.86 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2a2j n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a2j n GLY 40 N -0.39 -0.81 0.32 0.44 0.00 0.17 -4.32 105.19 100.60 2a2j n GLY 40 Ca 0.38 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 2a2j n GLY 40 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2a2j h TRP 41 N 0.00 1.01 -0.66 1.61 5.08 -1.96 -3.06 115.95 117.98 2a2j h TRP 41 Ca 0.00 -0.08 0.04 0.00 1.08 0.00 0.00 58.89 59.92 2a2j h TRP 41 Cb 0.00 -0.30 -0.04 0.00 -3.00 0.00 0.00 29.16 25.81 2a2j h TRP 41 CO 0.00 0.80 0.40 1.25 -1.28 0.00 0.00 178.44 179.60 2a2j h LEU 42 N 0.96 0.64 -0.60 0.11 6.46 -1.93 -0.40 115.31 120.54 2a2j h LEU 42 Ca 0.22 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.83 2a2j h LEU 42 Cb 0.24 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2a2j h LEU 42 CO -0.01 0.44 -0.61 0.74 -0.62 0.00 0.00 178.44 178.38 2a2j h THR 43 N 0.77 1.37 -0.01 1.05 2.02 -1.74 -1.35 112.91 115.03 2a2j h THR 43 Ca 0.27 -1.97 -0.09 0.00 0.77 0.00 0.00 66.41 65.39 2a2j h THR 43 Cb 0.06 1.98 0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2a2j h THR 43 CO -0.12 0.59 -0.34 0.25 0.37 0.00 0.00 175.52 176.26 2a2j h LEU 44 N 0.23 0.32 -0.76 2.58 5.85 -1.29 -1.40 115.31 120.84 2a2j h LEU 44 Ca -0.01 -0.74 0.13 0.00 0.84 0.00 0.00 57.88 58.10 2a2j h LEU 44 Cb 1.13 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.97 2a2j h LEU 44 CO 0.10 1.02 0.34 0.25 -0.34 0.00 0.00 178.44 179.81 2a2j h LEU 45 N -0.34 0.36 -0.77 2.25 5.85 -1.09 0.11 115.31 121.68 2a2j h LEU 45 Ca -0.04 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2a2j h LEU 45 Cb 1.06 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2a2j h LEU 45 CO 0.07 0.16 0.41 0.03 -0.34 0.00 0.00 178.44 178.77 2a2j h ARG 46 N 0.51 1.08 -0.20 1.25 3.08 -1.17 -0.45 114.38 118.49 2a2j h ARG 46 Ca 0.41 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 2a2j h ARG 46 Cb 0.58 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2a2j h ARG 46 CO -0.37 0.81 0.09 -0.09 -1.07 0.00 0.00 179.97 179.35 2a2j h ARG 47 N 1.07 0.29 -0.76 0.04 9.65 -0.32 -1.36 114.38 122.99 2a2j h ARG 47 Ca 0.27 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.08 2a2j h ARG 47 Cb 0.05 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.54 2a2j h ARG 47 CO -0.04 0.31 0.36 -1.49 2.80 0.00 0.00 179.97 181.91 2a2j h TRP 48 N 0.19 1.10 -0.29 2.20 4.06 -0.52 0.39 115.95 123.08 2a2j h TRP 48 Ca 0.07 -0.06 0.02 0.00 2.06 0.00 0.00 58.89 60.98 2a2j h TRP 48 Cb 0.12 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 27.92 2a2j h TRP 48 CO -0.02 0.81 0.13 1.25 -3.56 0.00 0.00 178.44 177.05 2a2j h LEU 49 N 1.07 0.19 -0.89 -4.49 5.85 -1.01 -0.98 115.31 115.06 2a2j h LEU 49 Ca 0.26 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2a2j h LEU 49 Cb 0.13 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2a2j h LEU 49 CO -0.03 0.15 0.27 -1.13 -0.34 0.00 0.00 178.44 177.36 2a2j h ASN 50 N 0.29 1.00 -0.21 1.25 -0.73 -0.47 -2.05 115.58 114.65 2a2j h ASN 50 Ca 0.12 -0.16 -0.05 0.00 1.87 0.00 0.00 56.30 58.09 2a2j h ASN 50 Cb 0.05 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 2a2j h ASN 50 CO -0.09 0.91 0.00 0.44 -0.37 0.00 0.00 177.43 178.32 2a2j h ASP 51 N 1.06 0.46 -0.42 1.15 3.32 0.08 -0.53 116.42 121.54 2a2j h ASP 51 Ca 0.24 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 2a2j h ASP 51 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2a2j h ASP 51 CO -0.02 0.52 -0.05 0.00 -1.72 0.00 0.00 179.24 177.97 2a2j h ALA 52 N 1.54 0.58 0.46 3.45 0.00 -0.57 -2.24 119.26 122.48 2a2j h ALA 52 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2a2j h ALA 52 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2a2j h ALA 52 CO 0.01 0.41 -0.36 0.37 0.00 0.00 0.00 179.25 179.69 2a2j h GLN 53 N 0.61 -0.78 -0.48 0.00 5.75 -1.07 -2.39 115.11 116.75 2a2j h GLN 53 Ca 0.11 0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.77 2a2j h GLN 53 Cb 0.57 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 2a2j h GLN 53 CO 0.03 -0.52 0.33 -0.09 -2.65 0.00 0.00 178.83 175.94 2a2j h ARG 54 N -0.81 0.18 -0.00 1.69 2.43 -0.94 0.21 114.38 117.13 2a2j h ARG 54 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2a2j h ARG 54 Cb 0.69 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2a2j h ARG 54 CO 0.00 0.12 -0.03 0.00 -1.51 0.00 0.00 179.97 178.55 2a2j n ALA 55 N -2.57 2.58 -0.82 2.80 0.00 -0.86 -4.91 120.51 116.73 2a2j n ALA 55 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2a2j n ALA 55 Cb 0.42 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2a2j n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a2j n GLY 56 N 1.26 0.60 3.64 0.00 0.00 0.72 -5.03 105.19 106.39 2a2j n GLY 56 Ca 0.15 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.69 2a2j n GLY 56 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2a2j n VAL 57 N -2.79 0.02 -2.37 1.61 0.31 -0.91 -4.95 118.33 109.25 2a2j n VAL 57 Ca 0.00 -0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 2a2j n VAL 57 Cb 0.00 -1.26 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 2a2j n VAL 57 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2a2j s SER 58 N 0.84 7.11 -1.17 4.52 0.01 -1.26 -3.74 113.70 120.01 2a2j s SER 58 Ca 0.81 2.32 -0.22 0.00 1.31 0.00 0.00 55.95 60.18 2a2j s SER 58 Cb -0.79 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 62.82 2a2j s SER 58 CO 0.42 -0.31 0.75 -0.62 0.41 0.00 0.00 173.24 173.89 2a2j n GLU 59 N 1.72 -1.22 -0.27 12.44 -0.58 -1.26 -4.85 120.64 126.63 2a2j n GLU 59 Ca 0.02 0.39 0.13 0.00 -0.42 0.00 0.00 57.16 57.28 2a2j n GLU 59 Cb 0.44 -3.89 0.40 0.00 -0.57 0.00 0.00 31.44 27.81 2a2j n GLU 59 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2a2j h PRO 60 N -2.01 0.63 -0.17 3.49 0.13 -1.91 -0.84 132.00 131.31 2a2j h PRO 60 Ca -0.67 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2a2j h PRO 60 Cb 1.37 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2a2j h PRO 60 CO 0.50 0.41 0.00 0.27 -0.23 0.00 0.00 178.00 178.95 2a2j n ASN 61 N -4.57 1.48 -4.80 1.44 2.04 -1.26 -4.90 115.26 104.69 2a2j n ASN 61 Ca 0.18 -1.72 -0.35 0.00 -0.44 0.00 0.00 54.58 52.25 2a2j n ASN 61 Cb 0.52 -0.11 -0.05 0.00 -2.53 0.00 0.00 39.78 37.61 2a2j n ASN 61 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2a2j s ALA 62 N -1.78 3.06 0.01 -2.53 0.00 -0.32 -1.88 121.76 118.33 2a2j s ALA 62 Ca 0.30 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 2a2j s ALA 62 Cb 0.16 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2a2j s ALA 62 CO 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 175.76 175.95 2a2j s MET 63 N -2.73 0.17 -0.27 0.00 0.23 -0.41 -4.43 119.30 111.85 2a2j s MET 63 Ca 0.59 -0.32 -0.27 0.00 -1.03 0.00 0.00 55.69 54.66 2a2j s MET 63 Cb -0.16 0.06 0.01 0.00 -1.53 0.00 0.00 34.83 33.20 2a2j s MET 63 CO 0.21 -0.03 0.94 0.08 -2.03 0.00 0.00 175.02 174.20 2a2j s VAL 64 N -0.77 4.71 -0.24 5.16 1.01 0.15 -1.67 120.40 128.74 2a2j s VAL 64 Ca -0.08 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 2a2j s VAL 64 Cb -0.05 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2a2j s VAL 64 CO -0.01 -0.23 0.25 -0.22 0.00 0.00 0.00 175.10 174.90 2a2j s LEU 65 N 3.16 4.10 -0.12 3.92 2.96 0.83 -1.64 118.68 131.89 2a2j s LEU 65 Ca 0.40 0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 54.49 2a2j s LEU 65 Cb -0.14 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 2a2j s LEU 65 CO 0.10 -0.02 0.02 0.00 -1.32 0.00 0.00 176.35 175.12 2a2j s ALA 66 N 1.37 3.32 0.48 5.97 0.00 -0.26 -2.22 121.76 130.43 2a2j s ALA 66 Ca 0.11 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2a2j s ALA 66 Cb -0.15 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 2a2j s ALA 66 CO 0.07 0.45 0.06 0.95 0.00 0.00 0.00 175.76 177.29 2a2j s THR 67 N -0.45 0.82 -0.02 0.00 -4.23 -0.72 -2.92 115.64 108.13 2a2j s THR 67 Ca 0.09 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 2a2j s THR 67 Cb -0.12 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 2a2j s THR 67 CO 0.02 0.00 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.17 2a2j s VAL 68 N -3.01 1.88 -0.30 2.29 1.01 -1.26 -0.86 120.40 120.14 2a2j s VAL 68 Ca 0.10 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2a2j s VAL 68 Cb 0.01 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.93 2a2j s VAL 68 CO 0.07 0.53 0.11 0.00 0.00 0.00 0.00 175.10 175.80 2a2j s ALA 69 N -0.51 1.28 -1.30 5.51 0.00 0.27 -4.70 121.76 122.31 2a2j s ALA 69 Ca 0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 2a2j s ALA 69 Cb -0.10 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.48 2a2j s ALA 69 CO -0.00 -1.65 0.79 -0.25 0.00 0.00 0.00 175.76 174.64 2a2j n ASP 70 N 4.96 -1.72 0.00 0.00 10.43 -1.26 -2.02 116.55 126.93 2a2j n ASP 70 Ca -0.03 -0.77 0.00 0.00 2.57 0.00 0.00 54.79 56.56 2a2j n ASP 70 Cb 0.42 -4.29 0.00 0.00 1.84 0.00 0.00 41.12 39.09 2a2j n ASP 70 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2a2j n GLY 71 N -1.51 0.87 3.34 0.44 0.00 -1.26 -5.03 105.19 102.04 2a2j n GLY 71 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 2a2j n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a2j s LYS 72 N -0.03 3.15 0.67 1.61 1.02 -0.86 -5.11 119.74 120.20 2a2j s LYS 72 Ca 0.00 -0.75 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 2a2j s LYS 72 Cb 0.00 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2a2j s LYS 72 CO 0.00 0.27 1.21 -1.25 -0.92 0.00 0.00 175.35 174.65 2a2j s PRO 73 N 0.19 2.50 -0.06 -1.68 0.05 -1.26 -0.56 135.00 134.17 2a2j s PRO 73 Ca -0.10 1.79 -0.03 0.00 0.05 0.00 0.00 61.00 62.71 2a2j s PRO 73 Cb -0.16 -1.87 0.04 0.00 0.05 0.00 0.00 34.50 32.56 2a2j s PRO 73 CO 0.06 -1.56 0.15 0.08 0.05 0.00 0.00 177.00 175.77 2a2j s VAL 74 N -1.82 -0.04 0.10 -0.36 1.01 -0.04 -4.83 120.40 114.41 2a2j s VAL 74 Ca 0.76 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.98 2a2j s VAL 74 Cb -0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2a2j s VAL 74 CO 0.40 0.06 -0.23 0.42 0.00 0.00 0.00 175.10 175.76 2a2j s THR 75 N 1.03 1.93 -0.03 3.92 -4.23 -1.26 -1.75 115.64 115.25 2a2j s THR 75 Ca -0.08 -1.56 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 2a2j s THR 75 Cb -0.10 -1.71 0.11 0.00 1.34 0.00 0.00 72.50 72.13 2a2j s THR 75 CO -0.05 0.06 1.07 0.00 -0.54 0.00 0.00 174.62 175.16 2a2j s ARG 76 N -1.80 0.66 0.15 3.99 3.03 -0.94 -4.99 118.95 119.04 2a2j s ARG 76 Ca 0.10 -0.30 -0.15 0.00 2.03 0.00 0.00 55.73 57.40 2a2j s ARG 76 Cb -0.10 0.27 -0.07 0.00 -1.03 0.00 0.00 34.95 34.02 2a2j s ARG 76 CO 0.04 -0.29 0.57 -1.12 -1.13 0.00 0.00 175.30 173.37 2a2j s SER 77 N -2.57 6.88 0.19 -2.89 0.01 -1.26 -0.12 113.70 113.94 2a2j s SER 77 Ca 0.09 1.14 0.03 0.00 1.31 0.00 0.00 55.95 58.52 2a2j s SER 77 Cb 0.00 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 2a2j s SER 77 CO -0.05 0.11 -0.04 0.68 0.41 0.00 0.00 173.24 174.36 2a2j s VAL 78 N -1.43 1.01 -0.24 3.43 -7.23 -0.67 -4.90 120.40 110.37 2a2j s VAL 78 Ca 0.37 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.42 2a2j s VAL 78 Cb -0.16 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2a2j s VAL 78 CO 0.19 -0.50 0.12 -0.76 -0.31 0.00 0.00 175.10 173.85 2a2j s LEU 79 N -3.23 3.87 -0.27 1.32 1.43 -1.26 -1.29 118.68 119.23 2a2j s LEU 79 Ca 0.24 0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 53.05 2a2j s LEU 79 Cb 0.05 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2a2j s LEU 79 CO 0.05 0.04 1.51 0.00 0.23 0.00 0.00 176.35 178.18 2a2j n LYS 81 N 7.66 0.89 -4.27 0.00 4.76 0.88 -4.88 118.16 123.19 2a2j n LYS 81 Ca 0.18 -0.10 -0.26 0.00 -2.87 0.00 0.00 58.31 55.26 2a2j n LYS 81 Cb 0.46 -1.38 -0.17 0.00 -1.84 0.00 0.00 35.03 32.10 2a2j n LYS 81 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2a2j s ILE 82 N -2.84 1.14 -0.29 -0.18 1.01 -1.06 -4.99 121.20 113.99 2a2j s ILE 82 Ca -0.06 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2a2j s ILE 82 Cb 0.08 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.54 2a2j s ILE 82 CO 0.65 0.37 -0.04 -0.22 0.00 0.00 0.00 174.94 175.70 2a2j s LEU 83 N 1.15 3.86 0.00 2.97 0.20 -1.26 -0.84 118.68 124.76 2a2j s LEU 83 Ca -0.05 -1.69 0.00 0.00 0.69 0.00 0.00 54.13 53.08 2a2j s LEU 83 Cb -0.14 -1.53 0.00 0.00 -0.43 0.00 0.00 46.19 44.08 2a2j s LEU 83 CO -0.02 -0.27 0.00 -0.90 -0.29 0.00 0.00 176.35 174.86 2a2j n ASP 84 N 4.39 0.00 0.07 3.68 5.68 -0.77 -5.01 116.55 124.60 2a2j n ASP 84 Ca -0.06 -0.09 0.03 0.00 -0.50 0.00 0.00 54.79 54.16 2a2j n ASP 84 Cb 0.42 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.80 2a2j n ASP 84 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2a2j h GLU 85 N 0.00 0.36 -0.00 0.11 3.07 -1.99 -1.27 114.58 114.86 2a2j h GLU 85 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2a2j h GLU 85 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 2a2j h GLU 85 CO 0.00 0.39 -0.04 -1.13 -1.40 0.00 0.00 179.01 176.83 2a2j n SER 86 N -4.34 0.45 0.00 1.42 3.41 -1.26 -4.78 113.62 108.52 2a2j n SER 86 Ca 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 2a2j n SER 86 Cb 0.20 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2a2j n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a2j n GLY 87 N 1.15 0.37 3.42 5.00 0.00 -0.48 -4.21 105.19 110.44 2a2j n GLY 87 Ca 0.19 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 2a2j n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a2j s VAL 88 N -0.46 3.16 0.02 1.61 -7.23 -0.82 -1.84 120.40 114.85 2a2j s VAL 88 Ca 0.00 -0.64 0.07 0.00 -1.81 0.00 0.00 61.98 59.59 2a2j s VAL 88 Cb 0.00 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 2a2j s VAL 88 CO 0.00 0.55 -0.19 0.00 -0.31 0.00 0.00 175.10 175.14 2a2j s ALA 89 N -0.03 1.63 0.14 1.32 0.00 -0.02 -0.53 121.76 124.27 2a2j s ALA 89 Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2a2j s ALA 89 Cb -0.14 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2a2j s ALA 89 CO 0.04 0.37 0.02 -0.59 0.00 0.00 0.00 175.76 175.60 2a2j s PHE 90 N -0.68 0.96 0.02 0.00 -0.12 -0.10 -0.09 117.98 117.99 2a2j s PHE 90 Ca 0.07 -1.12 0.08 0.00 -0.05 0.00 0.00 56.93 55.91 2a2j s PHE 90 Cb -0.08 -0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 41.73 2a2j s PHE 90 CO 0.01 -0.36 -0.24 -0.06 -0.05 0.00 0.00 175.22 174.52 2a2j s PHE 91 N -3.86 2.09 -0.00 3.49 0.40 -1.26 -0.71 117.98 118.12 2a2j s PHE 91 Ca 0.21 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.85 2a2j s PHE 91 Cb 0.07 -1.28 0.10 0.00 0.51 0.00 0.00 43.02 42.42 2a2j s PHE 91 CO 0.01 0.06 1.07 -0.08 0.70 0.00 0.00 175.22 176.98 2a2j s THR 92 N -0.72 0.00 0.03 0.64 -1.32 0.07 -4.90 115.64 109.45 2a2j s THR 92 Ca 0.10 -0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.04 2a2j s THR 92 Cb -0.09 -1.50 -0.05 0.00 -1.51 0.00 0.00 72.50 69.35 2a2j s THR 92 CO 0.01 0.00 1.27 -0.55 -2.21 0.00 0.00 174.62 173.14 2a2j s SER 93 N -2.65 6.99 0.65 8.08 0.15 -1.26 -1.58 113.70 124.07 2a2j s SER 93 Ca 0.10 2.03 0.40 0.00 0.70 0.00 0.00 55.95 59.18 2a2j s SER 93 Cb 0.00 -2.57 2.16 0.00 -1.71 0.00 0.00 66.02 63.90 2a2j s SER 93 CO -0.04 -0.58 2.21 1.88 1.20 0.00 0.00 173.24 177.92 2a2j h TYR 94 N 7.20 0.00 -0.48 3.44 0.05 -1.47 -2.38 116.97 123.34 2a2j h TYR 94 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 2a2j h TYR 94 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 2a2j h TYR 94 CO 0.70 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 178.06 2a2j n THR 95 N -2.98 0.63 -1.61 -2.88 -2.24 -1.26 -4.20 114.28 99.75 2a2j n THR 95 Ca -0.03 -0.67 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 2a2j n THR 95 Cb 0.15 0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.86 2a2j n THR 95 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2a2j s SER 96 N -1.09 4.69 0.26 3.42 1.04 -0.90 -4.89 113.70 116.23 2a2j s SER 96 Ca 0.35 1.30 -0.03 0.00 0.48 0.00 0.00 55.95 58.04 2a2j s SER 96 Cb 0.18 -2.05 0.53 0.00 0.10 0.00 0.00 66.02 64.79 2a2j s SER 96 CO 0.25 -1.84 1.67 0.00 0.98 0.00 0.00 173.24 174.29 2a2j h ALA 97 N -1.00 1.04 -0.90 5.32 0.00 -1.91 -1.86 119.26 119.95 2a2j h ALA 97 Ca -0.46 0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2a2j h ALA 97 Cb 1.26 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2a2j h ALA 97 CO 0.60 -0.38 0.60 1.57 0.00 0.00 0.00 179.25 181.64 2a2j h LYS 98 N 0.25 1.19 -0.67 0.00 2.10 -1.93 0.17 116.57 117.68 2a2j h LYS 98 Ca 0.46 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.99 2a2j h LYS 98 Cb 0.83 -0.27 -0.03 0.00 -0.90 0.00 0.00 32.23 31.86 2a2j h LYS 98 CO -0.57 0.79 0.25 0.78 -2.00 0.00 0.00 179.45 178.71 2a2j h GLY 99 N 1.22 1.08 0.90 0.07 0.00 -1.60 0.41 103.07 105.16 2a2j h GLY 99 Ca 0.33 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2a2j h GLY 99 CO -0.07 0.57 -0.05 -2.09 0.00 0.00 0.00 176.54 174.89 2a2j h GLU 100 N 0.95 0.59 -0.74 4.80 4.81 -0.83 -1.45 114.58 122.71 2a2j h GLU 100 Ca 0.22 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2a2j h GLU 100 Cb 0.23 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2a2j h GLU 100 CO -0.02 0.76 0.48 1.96 -0.73 0.00 0.00 179.01 181.47 2a2j h GLN 101 N 0.37 0.94 0.00 1.92 4.20 -0.49 -2.29 115.11 119.76 2a2j h GLN 101 Ca 0.08 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2a2j h GLN 101 Cb 0.53 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2a2j h GLN 101 CO 0.03 0.62 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.58 2a2j h LEU 102 N 0.96 0.00 -0.09 1.46 3.38 -0.76 -1.82 115.31 118.44 2a2j h LEU 102 Ca 0.29 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 2a2j h LEU 102 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2a2j h LEU 102 CO -0.08 0.15 -0.30 0.00 0.09 0.00 0.00 178.44 178.29 2a2j h ALA 103 N 1.85 0.16 -0.51 1.53 0.00 -0.72 -3.11 119.26 118.45 2a2j h ALA 103 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2a2j h ALA 103 Cb 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2a2j h ALA 103 CO 0.02 0.19 -0.13 0.28 0.00 0.00 0.00 179.25 179.61 2a2j h VAL 104 N -0.10 1.27 -2.65 0.00 2.07 -1.37 -3.41 116.25 112.05 2a2j h VAL 104 Ca -0.01 -1.28 -0.59 0.00 0.82 0.00 0.00 66.70 65.64 2a2j h VAL 104 Cb 0.94 1.04 -0.39 0.00 -1.52 0.00 0.00 31.29 31.36 2a2j h VAL 104 CO 0.06 0.45 -0.83 -0.89 0.02 0.00 0.00 177.57 176.38 2a2j s THR 105 N -4.80 0.37 -1.48 2.57 2.01 -0.69 -5.03 115.64 108.58 2a2j s THR 105 Ca -0.12 -1.88 -0.08 0.00 0.31 0.00 0.00 61.69 59.93 2a2j s THR 105 Cb 0.12 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2a2j s THR 105 CO 0.86 -0.98 2.68 -0.81 -0.69 0.00 0.00 174.62 175.68 2a2j n PRO 106 N 3.93 4.13 -4.17 4.92 -0.04 -1.18 -4.41 135.00 138.19 2a2j n PRO 106 Ca 0.12 -2.81 -0.16 0.00 -0.04 0.00 0.00 63.50 60.61 2a2j n PRO 106 Cb 0.37 -2.72 -0.13 0.00 -0.04 0.00 0.00 33.50 30.97 2a2j n PRO 106 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2a2j s TYR 107 N 0.58 0.63 0.08 0.54 1.51 -1.26 -2.13 117.35 117.30 2a2j s TYR 107 Ca 0.62 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 56.44 2a2j s TYR 107 Cb 0.18 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.60 2a2j s TYR 107 CO -0.08 -0.03 -0.06 0.00 -1.11 0.00 0.00 175.55 174.28 2a2j s ALA 108 N -0.59 0.77 0.07 3.71 0.00 -0.86 -4.69 121.76 120.17 2a2j s ALA 108 Ca -0.02 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.80 2a2j s ALA 108 Cb -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2a2j s ALA 108 CO 0.00 -0.24 -0.19 0.45 0.00 0.00 0.00 175.76 175.78 2a2j s SER 109 N -2.77 2.30 0.02 0.00 0.15 -1.15 -2.23 113.70 110.02 2a2j s SER 109 Ca 0.07 -0.59 0.02 0.00 0.70 0.00 0.00 55.95 56.14 2a2j s SER 109 Cb 0.04 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2a2j s SER 109 CO -0.05 0.07 -0.06 0.00 1.20 0.00 0.00 173.24 174.40 2a2j s ALA 110 N -1.01 0.42 -0.08 5.45 0.00 -0.50 -1.10 121.76 124.94 2a2j s ALA 110 Ca 0.05 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2a2j s ALA 110 Cb -0.09 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.06 2a2j s ALA 110 CO 0.03 -0.01 -0.09 0.99 0.00 0.00 0.00 175.76 176.68 2a2j s THR 111 N -0.96 1.03 -0.48 0.00 2.01 -0.65 -1.34 115.64 115.24 2a2j s THR 111 Ca -0.07 -0.36 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 2a2j s THR 111 Cb -0.07 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.47 2a2j s THR 111 CO 0.00 0.35 1.02 -0.36 -0.69 0.00 0.00 174.62 174.94 2a2j s PHE 112 N 1.14 2.85 -1.23 4.92 0.40 0.14 -0.67 117.98 125.52 2a2j s PHE 112 Ca -0.06 0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 56.61 2a2j s PHE 112 Cb -0.14 -4.19 0.16 0.00 0.51 0.00 0.00 43.02 39.36 2a2j s PHE 112 CO -0.02 -1.22 1.53 -0.35 0.70 0.00 0.00 175.22 175.87 2a2j n PRO 113 N 7.52 3.38 -1.45 0.24 -0.04 -1.26 -2.70 135.00 140.69 2a2j n PRO 113 Ca 0.08 -3.74 -0.37 0.00 -0.04 0.00 0.00 63.50 59.43 2a2j n PRO 113 Cb 0.49 -3.08 -0.04 0.00 -0.04 0.00 0.00 33.50 30.84 2a2j n PRO 113 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2a2j n TRP 114 N 5.69 2.25 -0.29 0.54 8.01 -0.48 -4.76 117.44 128.39 2a2j n TRP 114 Ca 0.39 -2.88 0.05 0.00 -1.31 0.00 0.00 57.50 53.74 2a2j n TRP 114 Cb 0.42 -2.24 0.19 0.00 -2.01 0.00 0.00 31.31 27.67 2a2j n TRP 114 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.69 178.56 2a2j h TYR 115 N 4.69 0.83 -0.25 -5.99 0.99 -1.92 -0.48 116.97 114.85 2a2j h TYR 115 Ca 0.77 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.61 2a2j h TYR 115 Cb 0.40 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.87 2a2j h TYR 115 CO 1.81 0.29 0.27 0.37 -0.00 0.00 0.00 178.16 180.89 2a2j h GLN 116 N 0.73 0.00 -0.26 4.88 4.15 -1.93 0.16 115.11 122.85 2a2j h GLN 116 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.84 2a2j h GLN 116 Cb 0.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2a2j h GLN 116 CO -0.29 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 177.89 2a2j n LEU 117 N -3.81 2.91 -3.62 -2.39 4.32 -0.21 -4.78 117.00 109.41 2a2j n LEU 117 Ca 0.03 -1.46 -0.23 0.00 -0.02 0.00 0.00 56.01 54.33 2a2j n LEU 117 Cb 0.40 -0.17 0.07 0.00 -1.62 0.00 0.00 43.42 42.11 2a2j n LEU 117 CO 0.28 0.63 0.18 0.61 -1.22 0.00 0.00 177.39 177.86 2a2j n GLY 118 N 1.03 -0.48 3.19 -0.72 0.00 0.56 -3.33 105.19 105.43 2a2j n GLY 118 Ca 0.14 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 2a2j n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a2j s ARG 119 N -6.14 0.89 0.02 1.61 0.52 -1.08 -0.97 118.95 113.80 2a2j s ARG 119 Ca 0.44 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 2a2j s ARG 119 Cb -0.20 -0.68 -0.01 0.00 0.52 0.00 0.00 34.95 34.58 2a2j s ARG 119 CO 0.75 0.12 -0.03 -0.65 0.02 0.00 0.00 175.30 175.52 2a2j s GLN 120 N -2.56 0.25 -0.06 3.54 -0.21 0.31 -1.38 119.66 119.54 2a2j s GLN 120 Ca 0.05 -0.46 0.03 0.00 0.02 0.00 0.00 55.36 55.00 2a2j s GLN 120 Cb -0.05 0.05 0.00 0.00 1.00 0.00 0.00 33.01 34.02 2a2j s GLN 120 CO 0.01 -0.03 -0.15 0.00 -2.12 0.00 0.00 175.29 173.01 2a2j s ALA 121 N -1.06 1.39 0.07 6.09 0.00 -1.10 -0.34 121.76 126.80 2a2j s ALA 121 Ca -0.11 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2a2j s ALA 121 Cb -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2a2j s ALA 121 CO -0.01 0.19 -0.02 -1.01 0.00 0.00 0.00 175.76 174.92 2a2j s HIS 122 N 0.35 2.97 -0.05 0.00 0.09 -0.62 -0.68 115.29 117.34 2a2j s HIS 122 Ca -0.10 -0.02 -0.02 0.00 -0.00 0.00 0.00 55.06 54.92 2a2j s HIS 122 Cb -0.14 -1.56 0.03 0.00 -0.00 0.00 0.00 32.58 30.92 2a2j s HIS 122 CO 0.03 0.46 0.07 0.08 -0.00 0.00 0.00 174.74 175.38 2a2j s VAL 123 N -1.23 -0.12 0.15 -0.90 1.01 -0.45 -1.52 120.40 117.33 2a2j s VAL 123 Ca 0.23 0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.70 2a2j s VAL 123 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2a2j s VAL 123 CO 0.15 0.16 -0.19 0.00 0.00 0.00 0.00 175.10 175.23 2a2j s GLN 124 N 2.18 1.23 0.00 2.72 -2.07 0.40 -1.41 119.66 122.71 2a2j s GLN 124 Ca 0.05 -1.34 0.00 0.00 -1.82 0.00 0.00 55.36 52.24 2a2j s GLN 124 Cb -0.12 -1.34 0.00 0.00 -1.09 0.00 0.00 33.01 30.45 2a2j s GLN 124 CO -0.03 0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.63 2a2j n GLY 125 N 0.50 0.78 3.75 2.60 0.00 -0.95 -1.44 105.19 110.42 2a2j n GLY 125 Ca -0.15 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 2a2j n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a2j s PRO 126 N -2.00 2.45 -0.16 1.61 0.04 -1.26 -2.04 135.00 133.64 2a2j s PRO 126 Ca 0.00 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.58 2a2j s PRO 126 Cb 0.00 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2a2j s PRO 126 CO 0.00 -1.55 -0.16 0.08 0.04 0.00 0.00 177.00 175.41 2a2j s VAL 127 N -2.24 1.74 0.23 -0.36 1.01 -0.90 -0.63 120.40 119.26 2a2j s VAL 127 Ca 0.70 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2a2j s VAL 127 Cb -0.24 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2a2j s VAL 127 CO 0.44 0.48 0.03 -0.94 0.00 0.00 0.00 175.10 175.11 2a2j s SER 128 N 1.42 4.77 0.45 3.32 1.04 -0.83 -4.88 113.70 118.98 2a2j s SER 128 Ca 0.05 -0.50 -0.23 0.00 0.48 0.00 0.00 55.95 55.75 2a2j s SER 128 Cb -0.13 -0.99 -0.08 0.00 0.10 0.00 0.00 66.02 64.92 2a2j s SER 128 CO -0.12 0.03 1.13 -0.54 0.98 0.00 0.00 173.24 174.72 2a2j s LYS 129 N -3.44 3.86 0.75 4.02 1.02 -1.26 -1.21 119.74 123.48 2a2j s LYS 129 Ca 0.30 1.68 -0.11 0.00 0.02 0.00 0.00 55.97 57.85 2a2j s LYS 129 Cb -0.08 -2.42 0.04 0.00 -0.52 0.00 0.00 37.83 34.86 2a2j s LYS 129 CO 0.20 -0.44 1.10 0.14 -0.92 0.00 0.00 175.35 175.43 2a2j s VAL 130 N -1.60 3.27 0.81 3.17 -7.23 -1.04 -4.82 120.40 112.95 2a2j s VAL 130 Ca 0.62 0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 61.09 2a2j s VAL 130 Cb -0.26 -3.30 0.08 0.00 0.56 0.00 0.00 36.38 33.46 2a2j s VAL 130 CO 0.32 -0.54 1.11 -0.94 -0.31 0.00 0.00 175.10 174.73 2a2j s SER 131 N -4.16 4.41 0.51 4.85 1.04 -1.26 -4.75 113.70 114.33 2a2j s SER 131 Ca 0.59 1.22 0.30 0.00 0.48 0.00 0.00 55.95 58.55 2a2j s SER 131 Cb -0.12 -1.93 1.09 0.00 0.10 0.00 0.00 66.02 65.15 2a2j s SER 131 CO 0.53 -2.01 1.88 0.74 0.98 0.00 0.00 173.24 175.36 2a2j h THR 132 N -1.12 0.09 0.36 2.02 2.02 -1.99 -1.46 112.91 112.84 2a2j h THR 132 Ca -0.47 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 2a2j h THR 132 Cb 1.28 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2a2j h THR 132 CO 0.60 0.04 -0.18 -0.08 0.37 0.00 0.00 175.52 176.28 2a2j h GLU 133 N 0.00 -0.47 -0.11 6.66 4.57 -2.00 -2.86 114.58 120.37 2a2j h GLU 133 Ca -0.00 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 2a2j h GLU 133 Cb 0.65 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 2a2j h GLU 133 CO 0.01 -0.16 -0.30 0.93 -1.18 0.00 0.00 179.01 178.30 2a2j h GLU 134 N -0.97 0.21 -0.05 1.92 5.08 -1.89 -2.19 114.58 116.69 2a2j h GLU 134 Ca -0.05 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2a2j h GLU 134 Cb 0.53 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2a2j h GLU 134 CO 0.08 0.49 0.02 0.82 -1.00 0.00 0.00 179.01 179.43 2a2j h ILE 135 N 0.19 1.15 -0.49 3.13 2.04 -1.34 -0.61 117.51 121.58 2a2j h ILE 135 Ca 0.03 -0.46 0.10 0.00 1.00 0.00 0.00 64.86 65.52 2a2j h ILE 135 Cb 0.63 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 2a2j h ILE 135 CO 0.05 0.13 -0.03 0.15 0.00 0.00 0.00 178.15 178.45 2a2j h PHE 136 N -0.09 -0.08 -0.42 1.37 3.57 -1.33 0.40 116.94 120.35 2a2j h PHE 136 Ca 0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2a2j h PHE 136 Cb 0.19 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2a2j h PHE 136 CO -0.01 -0.13 0.27 1.15 -2.23 0.00 0.00 178.31 177.36 2a2j h THR 137 N 0.09 1.12 0.01 4.41 2.02 -1.09 -2.02 112.91 117.44 2a2j h THR 137 Ca 0.24 -0.23 -0.22 0.00 0.77 0.00 0.00 66.41 66.98 2a2j h THR 137 Cb 0.37 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2a2j h THR 137 CO -0.43 0.11 -1.08 1.88 0.37 0.00 0.00 175.52 176.37 2a2j h TYR 138 N 0.57 0.02 -0.77 3.16 0.05 -0.86 -3.03 116.97 116.11 2a2j h TYR 138 Ca 0.15 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.96 2a2j h TYR 138 Cb -0.05 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.64 2a2j h TYR 138 CO -0.04 1.01 0.48 2.35 -1.05 0.00 0.00 178.16 180.91 2a2j h TRP 139 N 0.00 0.89 0.00 4.88 2.91 -0.10 -2.60 115.95 121.93 2a2j h TRP 139 Ca -0.04 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.94 2a2j h TRP 139 Cb 1.80 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 30.15 2a2j h TRP 139 CO 0.00 0.48 -0.29 0.77 -1.03 0.00 0.00 178.44 178.37 2a2j h SER 140 N 0.91 0.00 1.10 2.65 0.02 -1.27 -2.45 113.55 114.51 2a2j h SER 140 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2a2j h SER 140 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2a2j h SER 140 CO -0.14 0.29 0.00 0.24 -1.14 0.00 0.00 176.83 176.09 2a2j h MET 141 N 0.00 0.00 -6.81 3.45 2.86 -1.35 -3.45 114.93 109.63 2a2j h MET 141 Ca -0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 2a2j h MET 141 Cb 0.75 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.46 2a2j h MET 141 CO 0.04 0.00 0.63 1.03 1.06 0.00 0.00 176.91 179.67 2a2j s ARG 142 N -3.24 4.39 0.76 1.72 0.52 -0.93 -5.02 118.95 117.17 2a2j s ARG 142 Ca 0.07 2.13 -0.11 0.00 -0.52 0.00 0.00 55.73 57.30 2a2j s ARG 142 Cb 0.10 -3.12 0.05 0.00 0.52 0.00 0.00 34.95 32.51 2a2j s ARG 142 CO 0.49 -0.17 1.10 -2.14 0.02 0.00 0.00 175.30 174.60 2a2j s PRO 143 N -1.24 2.25 0.29 3.54 0.02 -1.26 -4.82 135.00 133.78 2a2j s PRO 143 Ca 0.51 1.23 0.02 0.00 0.02 0.00 0.00 61.00 62.78 2a2j s PRO 143 Cb -0.38 -1.89 0.59 0.00 0.02 0.00 0.00 34.50 32.83 2a2j s PRO 143 CO 0.47 -1.65 1.82 -0.09 -0.33 0.00 0.00 177.00 177.22 2a2j h ARG 144 N -1.00 0.92 -0.69 5.54 2.43 -1.97 0.52 114.38 120.14 2a2j h ARG 144 Ca -0.44 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 58.75 2a2j h ARG 144 Cb 1.24 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.51 2a2j h ARG 144 CO 0.51 0.61 0.36 0.78 -1.51 0.00 0.00 179.97 180.72 2a2j h GLY 145 N 0.95 1.02 2.00 2.80 0.00 -2.00 -2.47 103.07 105.37 2a2j h GLY 145 Ca 0.51 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 2a2j h GLY 145 CO -0.29 0.10 -0.38 0.00 0.00 0.00 0.00 176.54 175.97 2a2j h ALA 146 N 1.39 0.85 -0.00 3.60 0.00 -1.25 -1.87 119.26 121.98 2a2j h ALA 146 Ca 0.32 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2a2j h ALA 146 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2a2j h ALA 146 CO -0.23 0.47 -0.85 1.96 0.00 0.00 0.00 179.25 180.61 2a2j h GLN 147 N 0.00 0.18 0.12 0.00 4.20 -1.14 -2.29 115.11 116.18 2a2j h GLN 147 Ca -0.00 -0.19 -0.28 0.00 0.06 0.00 0.00 58.65 58.24 2a2j h GLN 147 Cb 1.08 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.93 2a2j h GLN 147 CO 0.05 0.92 -1.22 -0.07 -0.67 0.00 0.00 178.83 177.84 2a2j h LEU 148 N 0.10 0.61 -0.16 1.46 3.38 -1.44 -2.24 115.31 117.01 2a2j h LEU 148 Ca -0.04 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2a2j h LEU 148 Cb 1.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2a2j h LEU 148 CO 0.13 1.44 0.10 1.23 0.09 0.00 0.00 178.44 181.43 2a2j h GLY 149 N 1.03 0.23 1.00 0.83 0.00 -1.33 0.71 103.07 105.54 2a2j h GLY 149 Ca -0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2a2j h GLY 149 CO 0.21 0.08 0.29 0.00 0.00 0.00 0.00 176.54 177.13 2a2j h ALA 150 N 1.05 0.83 0.00 3.60 0.00 -1.40 -2.46 119.26 120.88 2a2j h ALA 150 Ca 0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2a2j h ALA 150 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2a2j h ALA 150 CO -0.01 0.42 -0.38 -1.49 0.00 0.00 0.00 179.25 177.79 2a2j h TRP 151 N 0.90 0.00 0.00 0.00 4.06 -1.11 -3.03 115.95 116.76 2a2j h TRP 151 Ca 0.22 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.16 2a2j h TRP 151 Cb 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 2a2j h TRP 151 CO 0.01 0.38 -0.05 0.00 -3.56 0.00 0.00 178.44 175.21 2a2j h ALA 152 N 1.62 0.99 -1.53 1.49 0.00 -0.38 -3.41 119.26 118.04 2a2j h ALA 152 Ca -0.00 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.30 2a2j h ALA 152 Cb 0.75 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 2a2j h ALA 152 CO 0.05 0.07 0.96 0.45 0.00 0.00 0.00 179.25 180.78 2a2j s SER 153 N -5.92 6.34 -0.69 0.00 0.15 -1.15 -4.78 113.70 107.67 2a2j s SER 153 Ca 0.02 -0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.36 2a2j s SER 153 Cb 0.08 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 61.97 2a2j s SER 153 CO 0.59 -1.57 0.79 -1.10 1.20 0.00 0.00 173.24 173.16 2a2j s GLN 154 N 5.10 3.22 0.00 5.44 -0.21 -1.26 -4.94 119.66 127.01 2a2j s GLN 154 Ca 0.39 -1.56 0.00 0.00 0.02 0.00 0.00 55.36 54.21 2a2j s GLN 154 Cb -0.08 -4.40 0.00 0.00 1.00 0.00 0.00 33.01 29.53 2a2j s GLN 154 CO 0.21 -1.55 0.00 0.00 -2.12 0.00 0.00 175.29 171.83 2a2j n GLN 155 N 6.05 0.00 0.00 2.91 10.64 -1.26 -3.48 117.38 132.23 2a2j n GLN 155 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2a2j n GLN 155 Cb 0.44 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.82 2a2j n GLN 155 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2a2j n SER 156 N -1.84 0.00 0.00 2.61 7.64 -1.26 -4.98 113.62 115.79 2a2j n SER 156 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2a2j n SER 156 Cb 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2a2j n SER 156 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2a2j n ARG 157 N -2.04 0.00 -0.81 1.43 0.63 -1.23 -4.82 116.66 109.83 2a2j n ARG 157 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 2a2j n ARG 157 Cb 0.00 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.06 2a2j n ARG 157 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2a2j s PRO 158 N 0.00 1.25 -0.08 -0.14 0.05 -1.26 -4.99 135.00 129.83 2a2j s PRO 158 Ca 0.00 1.50 0.02 0.00 0.05 0.00 0.00 61.00 62.57 2a2j s PRO 158 Cb 0.00 -1.76 0.01 0.00 0.05 0.00 0.00 34.50 32.80 2a2j s PRO 158 CO 0.00 -2.45 -0.14 0.08 0.05 0.00 0.00 177.00 174.54 2a2j s VAL 159 N -2.67 1.31 -0.08 -0.36 1.01 -1.26 -5.03 120.40 113.31 2a2j s VAL 159 Ca 0.66 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 62.19 2a2j s VAL 159 Cb -0.22 -1.19 -0.17 0.00 0.00 0.00 0.00 36.38 34.80 2a2j s VAL 159 CO 0.57 0.40 0.12 0.61 0.00 0.00 0.00 175.10 176.80 2a2j n GLY 160 N 3.90 -0.59 3.12 4.51 0.00 -1.26 -5.03 105.19 109.84 2a2j n GLY 160 Ca -0.21 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 2a2j n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a2j s SER 161 N -4.15 0.52 0.24 1.61 1.04 -1.26 -5.04 113.70 106.67 2a2j s SER 161 Ca -0.06 -1.07 0.13 0.00 0.48 0.00 0.00 55.95 55.44 2a2j s SER 161 Cb 0.05 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.44 2a2j s SER 161 CO 0.51 -0.62 1.43 -0.09 0.98 0.00 0.00 173.24 175.44 2a2j h ARG 162 N 3.03 0.00 -0.06 4.02 9.65 -2.02 -2.96 114.38 126.05 2a2j h ARG 162 Ca -0.35 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.47 2a2j h ARG 162 Cb 1.16 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2a2j h ARG 162 CO 0.64 0.63 -0.27 0.00 2.80 0.00 0.00 179.97 183.77 2a2j h ALA 163 N 1.37 1.45 -0.49 2.80 0.00 -2.00 -2.32 119.26 120.07 2a2j h ALA 163 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2a2j h ALA 163 Cb 1.44 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2a2j h ALA 163 CO 0.08 0.40 0.16 0.37 0.00 0.00 0.00 179.25 180.27 2a2j h GLN 164 N 0.09 0.72 -0.24 0.00 4.15 -1.94 -1.48 115.11 116.41 2a2j h GLN 164 Ca 0.01 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 2a2j h GLN 164 Cb 0.53 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2a2j h GLN 164 CO 0.04 0.62 -0.19 -0.07 -1.93 0.00 0.00 178.83 177.29 2a2j h LEU 165 N 0.71 0.42 -0.29 -2.39 3.38 -1.52 -2.03 115.31 113.59 2a2j h LEU 165 Ca 0.17 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2a2j h LEU 165 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2a2j h LEU 165 CO -0.01 0.63 -0.08 0.44 0.09 0.00 0.00 178.44 179.51 2a2j h ASP 166 N 0.39 0.57 0.88 -0.43 3.45 -1.32 -1.72 116.42 118.23 2a2j h ASP 166 Ca 0.07 -0.37 -0.07 0.00 0.43 0.00 0.00 57.03 57.09 2a2j h ASP 166 Cb 0.56 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 2a2j h ASP 166 CO 0.04 0.81 -0.32 0.78 -1.57 0.00 0.00 179.24 178.98 2a2j h ASN 167 N 0.32 0.00 -0.02 6.45 -0.26 -1.07 -0.27 115.58 120.73 2a2j h ASN 167 Ca 0.07 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.68 2a2j h ASN 167 Cb 0.56 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 2a2j h ASN 167 CO 0.03 0.32 -0.43 1.56 -1.06 0.00 0.00 177.43 177.85 2a2j h GLN 168 N 0.00 0.55 0.05 0.81 4.20 -1.04 0.15 115.11 119.82 2a2j h GLN 168 Ca -0.00 -0.29 -0.26 0.00 0.06 0.00 0.00 58.65 58.15 2a2j h GLN 168 Cb 0.84 0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.65 2a2j h GLN 168 CO 0.04 0.88 -1.09 1.25 -0.67 0.00 0.00 178.83 179.23 2a2j h LEU 169 N 0.45 0.74 -0.49 1.46 5.85 -0.85 -2.03 115.31 120.44 2a2j h LEU 169 Ca 0.03 -0.63 -0.10 0.00 0.84 0.00 0.00 57.88 58.01 2a2j h LEU 169 Cb 0.93 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2a2j h LEU 169 CO 0.08 1.44 -0.10 0.00 -0.34 0.00 0.00 178.44 179.52 2a2j h ALA 170 N 0.49 0.67 -0.42 1.25 0.00 -0.96 -0.35 119.26 119.96 2a2j h ALA 170 Ca -0.13 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2a2j h ALA 170 Cb 1.75 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2a2j h ALA 170 CO 0.20 0.57 0.24 1.49 0.00 0.00 0.00 179.25 181.76 2a2j h GLU 171 N 0.79 0.48 -0.12 0.00 4.81 -0.67 -2.65 114.58 117.21 2a2j h GLU 171 Ca 0.13 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2a2j h GLU 171 Cb 0.66 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2a2j h GLU 171 CO 0.05 0.31 -0.49 0.28 -0.73 0.00 0.00 179.01 178.43 2a2j h VAL 172 N 0.49 1.34 -0.08 0.32 2.07 -1.14 -0.19 116.25 119.06 2a2j h VAL 172 Ca 0.17 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 2a2j h VAL 172 Cb 0.02 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2a2j h VAL 172 CO -0.08 0.52 0.03 0.74 0.02 0.00 0.00 177.57 178.80 2a2j h THR 173 N 0.25 1.16 -0.01 2.57 2.02 -0.98 -2.44 112.91 115.47 2a2j h THR 173 Ca 0.01 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 2a2j h THR 173 Cb 0.96 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2a2j h THR 173 CO 0.08 0.14 -0.00 -0.09 0.37 0.00 0.00 175.52 176.02 2a2j h ARG 174 N -0.04 0.02 -1.00 6.66 2.43 -1.42 -0.93 114.38 120.08 2a2j h ARG 174 Ca 0.03 -0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.44 2a2j h ARG 174 Cb 0.19 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 2a2j h ARG 174 CO -0.00 0.38 0.65 -0.09 -1.51 0.00 0.00 179.97 179.40 2a2j h ARG 175 N -0.35 0.38 -0.46 0.20 1.12 -1.02 -1.80 114.38 112.45 2a2j h ARG 175 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 2a2j h ARG 175 Cb 0.37 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 2a2j h ARG 175 CO 0.00 0.25 0.00 1.19 -3.11 0.00 0.00 179.97 178.30 2a2j n PHE 176 N -4.57 0.68 -0.33 2.20 3.01 -0.92 -4.73 117.46 112.80 2a2j n PHE 176 Ca 0.23 -0.52 0.36 0.00 1.01 0.00 0.00 57.45 58.52 2a2j n PHE 176 Cb 0.83 -0.05 0.75 0.00 -0.01 0.00 0.00 39.48 41.01 2a2j n PHE 176 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2a2j h ALA 177 N 2.72 3.14 -0.02 4.37 0.00 -0.25 -1.17 119.26 128.06 2a2j h ALA 177 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2a2j h ALA 177 Cb 0.87 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2a2j h ALA 177 CO 0.02 -1.49 -0.08 -0.25 0.00 0.00 0.00 179.25 177.46 2a2j n ASP 178 N -4.17 2.30 -4.51 0.00 8.00 -1.26 -4.88 116.55 112.03 2a2j n ASP 178 Ca 0.26 -1.65 -0.43 0.00 0.71 0.00 0.00 54.79 53.68 2a2j n ASP 178 Cb 1.26 0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 42.39 2a2j n ASP 178 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2a2j s GLN 179 N -1.59 3.27 0.22 -1.24 -1.52 -0.44 -4.92 119.66 113.45 2a2j s GLN 179 Ca 0.19 -0.49 -0.07 0.00 -1.95 0.00 0.00 55.36 53.05 2a2j s GLN 179 Cb 0.15 -3.93 0.19 0.00 -0.22 0.00 0.00 33.01 29.20 2a2j s GLN 179 CO 0.27 -0.87 1.80 0.38 -0.25 0.00 0.00 175.29 176.61 2a2j h ASP 180 N 8.74 1.09 -3.87 5.90 -0.00 -1.90 -3.40 116.42 122.97 2a2j h ASP 180 Ca -0.26 -0.16 -0.66 0.00 -0.00 0.00 0.00 57.03 55.95 2a2j h ASP 180 Cb 1.11 -0.28 -0.40 0.00 -0.00 0.00 0.00 39.33 39.76 2a2j h ASP 180 CO 0.83 0.95 -0.69 -1.58 -0.00 0.00 0.00 179.24 178.75 2a2j s GLN 181 N -5.58 1.63 0.22 4.15 0.74 -1.26 -5.10 119.66 114.46 2a2j s GLN 181 Ca -0.12 -2.08 -0.30 0.00 0.05 0.00 0.00 55.36 52.91 2a2j s GLN 181 Cb 0.16 -3.25 -0.08 0.00 1.10 0.00 0.00 33.01 30.93 2a2j s GLN 181 CO 0.84 -0.99 1.14 0.42 -0.55 0.00 0.00 175.29 176.14 2a2j s ILE 182 N 0.58 3.62 0.56 -2.34 1.01 -1.26 -5.01 121.20 118.35 2a2j s ILE 182 Ca 0.13 1.46 -0.16 0.00 0.00 0.00 0.00 60.65 62.07 2a2j s ILE 182 Cb -0.21 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2a2j s ILE 182 CO -0.06 0.28 1.02 -2.16 0.00 0.00 0.00 174.94 174.03 2a2j s PRO 183 N -0.71 3.61 0.11 2.79 0.04 -1.26 -5.00 135.00 134.58 2a2j s PRO 183 Ca 0.49 1.07 -0.33 0.00 0.04 0.00 0.00 61.00 62.27 2a2j s PRO 183 Cb -0.32 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 32.02 2a2j s PRO 183 CO 0.38 -0.56 1.73 0.28 0.04 0.00 0.00 177.00 178.87 2a2j n VAL 184 N -1.87 0.22 -1.41 -0.36 0.31 -1.26 -4.97 118.33 108.99 2a2j n VAL 184 Ca 0.08 -0.04 -0.34 0.00 -0.01 0.00 0.00 64.34 64.03 2a2j n VAL 184 Cb 0.53 -1.83 0.09 0.00 -0.91 0.00 0.00 33.84 31.72 2a2j n VAL 184 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2a2j s PRO 185 N 2.08 2.13 0.39 5.55 0.02 -1.26 -4.89 135.00 139.03 2a2j s PRO 185 Ca 0.82 1.68 0.09 0.00 0.02 0.00 0.00 61.00 63.61 2a2j s PRO 185 Cb -0.60 -1.84 0.80 0.00 0.02 0.00 0.00 34.50 32.88 2a2j s PRO 185 CO 0.40 -1.82 1.95 -1.00 -0.33 0.00 0.00 177.00 176.19 2a2j h PRO 186 N -0.40 0.31 -0.05 5.54 0.13 -2.02 -2.88 132.00 132.64 2a2j h PRO 186 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2a2j h PRO 186 Cb 1.29 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2a2j h PRO 186 CO 0.50 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 2a2j n GLY 187 N -1.02 0.85 3.72 1.56 0.00 -1.26 -4.97 105.19 104.07 2a2j n GLY 187 Ca 0.00 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 2a2j n GLY 187 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2a2j s TRP 188 N -1.97 3.46 0.00 1.61 -0.00 -1.09 -1.14 118.94 119.81 2a2j s TRP 188 Ca 0.31 0.59 0.00 0.00 -0.00 0.00 0.00 56.10 57.00 2a2j s TRP 188 Cb 0.20 -2.35 0.00 0.00 -0.00 0.00 0.00 33.47 31.32 2a2j s TRP 188 CO 0.31 0.22 0.00 0.41 -0.00 0.00 0.00 176.95 177.89 2a2j n GLY 189 N 3.42 3.37 3.21 5.86 0.00 -0.61 -4.86 105.19 115.58 2a2j n GLY 189 Ca -0.12 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2a2j n GLY 189 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a2j s GLY 190 N 0.00 0.81 0.04 -0.02 0.00 -1.26 -0.75 107.32 106.13 2a2j s GLY 190 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.48 2a2j s GLY 190 CO 0.00 -1.18 -0.08 -0.19 0.00 0.00 0.00 173.10 171.65 2a2j s TYR 191 N -4.02 0.72 -0.07 1.90 2.02 0.11 -2.50 117.35 115.51 2a2j s TYR 191 Ca 0.22 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 2a2j s TYR 191 Cb 0.06 -0.43 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 2a2j s TYR 191 CO 0.01 -0.05 -0.12 0.50 -1.57 0.00 0.00 175.55 174.32 2a2j s ARG 192 N -1.29 1.70 -0.27 -0.62 3.52 -0.35 -0.92 118.95 120.72 2a2j s ARG 192 Ca -0.06 -0.40 -0.17 0.00 -0.13 0.00 0.00 55.73 54.96 2a2j s ARG 192 Cb -0.08 -1.44 -0.03 0.00 -1.56 0.00 0.00 34.95 31.83 2a2j s ARG 192 CO 0.01 -0.01 0.49 0.42 -0.81 0.00 0.00 175.30 175.39 2a2j s ILE 193 N 0.79 5.09 0.44 4.11 1.01 0.31 -1.97 121.20 130.98 2a2j s ILE 193 Ca -0.12 0.80 -0.22 0.00 0.00 0.00 0.00 60.65 61.10 2a2j s ILE 193 Cb -0.15 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 2a2j s ILE 193 CO 0.02 0.09 1.05 0.00 0.00 0.00 0.00 174.94 176.10 2a2j s ALA 194 N 2.27 3.00 -1.30 9.38 0.00 0.20 -1.93 121.76 133.37 2a2j s ALA 194 Ca 0.20 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 52.75 2a2j s ALA 194 Cb -0.16 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 2a2j s ALA 194 CO 0.09 -0.27 2.77 -0.35 0.00 0.00 0.00 175.76 178.01 2a2j n PRO 195 N -0.45 3.86 0.16 0.00 -0.04 -1.26 -3.71 135.00 133.56 2a2j n PRO 195 Ca 0.07 -2.64 0.03 0.00 -0.04 0.00 0.00 63.50 60.92 2a2j n PRO 195 Cb 0.51 -2.63 0.22 0.00 -0.04 0.00 0.00 33.50 31.56 2a2j n PRO 195 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2a2j h GLU 196 N 4.55 0.00 -3.47 0.54 4.81 -1.81 -3.42 114.58 115.78 2a2j h GLU 196 Ca 0.72 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.64 2a2j h GLU 196 Cb 0.41 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 29.44 2a2j h GLU 196 CO 1.48 0.49 -0.73 0.42 -0.73 0.00 0.00 179.01 179.94 2a2j s ILE 197 N -3.42 -0.07 -0.09 2.32 1.01 -0.52 -4.59 121.20 115.83 2a2j s ILE 197 Ca 0.01 0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2a2j s ILE 197 Cb 0.11 -0.10 0.02 0.00 0.01 0.00 0.00 42.46 42.50 2a2j s ILE 197 CO 0.72 0.11 -0.09 -0.69 0.00 0.00 0.00 174.94 174.98 2a2j s VAL 198 N 1.28 1.07 -0.07 2.92 1.01 -0.81 -0.45 120.40 125.35 2a2j s VAL 198 Ca -0.06 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2a2j s VAL 198 Cb -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2a2j s VAL 198 CO -0.03 0.36 -0.17 -0.70 0.00 0.00 0.00 175.10 174.56 2a2j s GLU 199 N 1.30 2.77 -0.20 2.72 2.12 -0.58 -0.22 118.70 126.60 2a2j s GLU 199 Ca -0.03 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.49 2a2j s GLU 199 Cb -0.14 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 2a2j s GLU 199 CO -0.04 0.45 0.06 -0.06 -0.54 0.00 0.00 175.26 175.12 2a2j s PHE 200 N -0.28 3.17 -0.17 5.30 0.08 -0.33 -1.59 117.98 124.16 2a2j s PHE 200 Ca 0.01 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 56.96 2a2j s PHE 200 Cb -0.13 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2a2j s PHE 200 CO 0.03 -0.03 -0.20 -0.46 -0.10 0.00 0.00 175.22 174.45 2a2j s TRP 201 N 0.79 2.76 -0.28 0.36 -0.00 0.54 -2.27 118.94 120.84 2a2j s TRP 201 Ca 0.03 -1.60 0.03 0.00 -0.00 0.00 0.00 56.10 54.57 2a2j s TRP 201 Cb -0.14 -1.90 0.07 0.00 -0.00 0.00 0.00 33.47 31.51 2a2j s TRP 201 CO 0.02 -0.78 -0.06 -1.14 -0.00 0.00 0.00 176.95 174.99 2a2j s GLN 202 N 1.21 2.00 0.82 5.86 0.74 -0.58 -0.53 119.66 129.19 2a2j s GLN 202 Ca 0.03 -1.50 -0.11 0.00 0.05 0.00 0.00 55.36 53.82 2a2j s GLN 202 Cb -0.13 -2.98 0.09 0.00 1.10 0.00 0.00 33.01 31.09 2a2j s GLN 202 CO -0.11 -0.68 1.14 0.20 -0.55 0.00 0.00 175.29 175.29 2a2j s GLY 203 N 1.05 1.83 0.01 2.59 0.00 -0.14 -1.98 107.32 110.67 2a2j s GLY 203 Ca -0.03 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.24 2a2j s GLY 203 CO -0.06 0.94 -0.01 0.50 0.00 0.00 0.00 173.10 174.46 2a2j s ARG 204 N -4.56 0.11 0.22 2.90 1.81 -1.26 -4.44 118.95 113.73 2a2j s ARG 204 Ca 0.66 -0.17 -0.08 0.00 -1.72 0.00 0.00 55.73 54.43 2a2j s ARG 204 Cb -0.22 -0.01 0.35 0.00 -0.45 0.00 0.00 34.95 34.62 2a2j s ARG 204 CO 0.54 -0.00 1.73 0.93 -0.68 0.00 0.00 175.30 177.82 2a2j h GLU 205 N 5.77 0.38 0.00 3.54 4.39 -1.96 -0.85 114.58 125.84 2a2j h GLU 205 Ca -0.26 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2a2j h GLU 205 Cb 1.21 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2a2j h GLU 205 CO 0.48 0.25 0.00 0.27 -1.16 0.00 0.00 179.01 178.85 2a2j n ASN 206 N -5.03 0.00 0.00 1.42 0.23 -1.26 -4.85 115.26 105.77 2a2j n ASN 206 Ca 0.11 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 53.02 2a2j n ASN 206 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 2a2j n ASN 206 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2a2j n ARG 207 N -0.51 -0.96 -2.05 -3.83 5.12 -0.32 -4.89 116.66 109.22 2a2j n ARG 207 Ca 0.00 0.24 -0.39 0.00 -1.93 0.00 0.00 57.85 55.77 2a2j n ARG 207 Cb 0.00 -4.41 -0.00 0.00 -1.16 0.00 0.00 32.46 26.88 2a2j n ARG 207 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2a2j n MET 208 N -0.67 4.50 -1.65 5.56 2.81 -1.26 -4.90 117.12 121.51 2a2j n MET 208 Ca 0.00 -3.56 -0.39 0.00 -1.81 0.00 0.00 57.70 51.94 2a2j n MET 208 Cb 0.24 -2.55 0.03 0.00 -0.71 0.00 0.00 33.22 30.23 2a2j n MET 208 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2a2j n HIS 209 N 1.30 1.42 -3.55 2.03 8.25 -1.26 -4.77 115.22 118.63 2a2j n HIS 209 Ca 0.59 0.48 -0.36 0.00 -0.26 0.00 0.00 57.72 58.16 2a2j n HIS 209 Cb 0.28 -2.25 -0.07 0.00 1.12 0.00 0.00 29.99 29.07 2a2j n HIS 209 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2a2j s ASN 210 N -0.91 6.44 -0.06 0.41 0.02 -0.84 -4.27 114.94 115.74 2a2j s ASN 210 Ca 0.69 0.52 -0.02 0.00 -1.02 0.00 0.00 52.86 53.02 2a2j s ASN 210 Cb -0.47 -2.18 0.04 0.00 0.02 0.00 0.00 41.25 38.66 2a2j s ASN 210 CO 0.52 0.12 0.10 -0.13 0.02 0.00 0.00 177.10 177.74 2a2j s ARG 211 N 0.33 -0.02 -0.16 -0.60 0.52 -1.26 -1.52 118.95 116.25 2a2j s ARG 211 Ca 0.16 0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 55.79 2a2j s ARG 211 Cb -0.13 -0.36 0.04 0.00 0.52 0.00 0.00 34.95 35.02 2a2j s ARG 211 CO 0.04 -0.28 -0.07 0.42 0.02 0.00 0.00 175.30 175.43 2a2j s ILE 212 N 1.96 1.18 -0.05 1.52 1.01 -0.96 -1.04 121.20 124.81 2a2j s ILE 212 Ca 0.01 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2a2j s ILE 212 Cb -0.12 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 2a2j s ILE 212 CO -0.04 0.19 0.28 -0.60 0.00 0.00 0.00 174.94 174.77 2a2j s ARG 213 N 1.61 3.69 -0.11 2.79 3.52 -0.38 -1.18 118.95 128.87 2a2j s ARG 213 Ca 0.01 0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.78 2a2j s ARG 213 Cb -0.15 -3.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2a2j s ARG 213 CO -0.08 0.73 -0.21 0.08 -0.81 0.00 0.00 175.30 175.01 2a2j s VAL 214 N -1.08 2.31 -0.29 7.11 1.01 0.69 -1.85 120.40 128.30 2a2j s VAL 214 Ca 0.20 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 2a2j s VAL 214 Cb -0.14 -1.91 0.15 0.00 0.00 0.00 0.00 36.38 34.47 2a2j s VAL 214 CO 0.10 0.55 0.92 0.00 0.00 0.00 0.00 175.10 176.67 2a2j s ALA 215 N 0.43 -2.39 -1.37 5.51 0.00 -0.90 -1.92 121.76 121.12 2a2j s ALA 215 Ca -0.15 2.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.94 2a2j s ALA 215 Cb -0.17 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.14 2a2j s ALA 215 CO 0.06 -0.66 0.82 0.09 0.00 0.00 0.00 175.76 176.08 2a2j n ASN 216 N 4.46 -2.51 0.00 0.00 4.13 -1.26 -0.38 115.26 119.69 2a2j n ASN 216 Ca -0.14 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.34 2a2j n ASN 216 Cb 0.55 -4.13 0.00 0.00 -1.54 0.00 0.00 39.78 34.65 2a2j n ASN 216 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a2j n GLY 217 N -1.61 0.00 3.74 7.41 0.00 -1.26 -4.93 105.19 108.55 2a2j n GLY 217 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2a2j n GLY 217 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a2j s ARG 218 N -0.46 4.43 0.11 1.61 1.04 0.48 -5.07 118.95 121.10 2a2j s ARG 218 Ca 0.00 0.94 -0.01 0.00 -1.04 0.00 0.00 55.73 55.62 2a2j s ARG 218 Cb 0.00 -3.37 -0.04 0.00 -2.04 0.00 0.00 34.95 29.49 2a2j s ARG 218 CO 0.00 0.26 0.28 -0.51 -0.04 0.00 0.00 175.30 175.30 2a2j s LEU 219 N 0.07 4.32 -0.21 -1.89 1.43 -1.26 -2.12 118.68 119.02 2a2j s LEU 219 Ca 0.36 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 2a2j s LEU 219 Cb -0.19 -3.05 0.08 0.00 0.03 0.00 0.00 46.19 43.05 2a2j s LEU 219 CO 0.20 0.09 0.48 -0.70 0.23 0.00 0.00 176.35 176.66 2a2j s GLU 220 N -2.80 0.44 0.09 1.70 2.12 -0.77 -4.99 118.70 114.50 2a2j s GLU 220 Ca 0.37 0.99 -0.26 0.00 0.36 0.00 0.00 54.97 56.43 2a2j s GLU 220 Cb -0.12 0.18 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 2a2j s GLU 220 CO 0.28 -0.19 0.81 0.50 -0.54 0.00 0.00 175.26 176.11 2a2j s ARG 221 N 1.91 4.56 0.10 4.30 3.52 -1.26 -1.26 118.95 130.82 2a2j s ARG 221 Ca -0.07 1.17 0.06 0.00 -0.13 0.00 0.00 55.73 56.76 2a2j s ARG 221 Cb -0.09 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2a2j s ARG 221 CO -0.15 0.36 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.13 2a2j s LEU 222 N -0.38 3.19 0.32 -0.88 1.43 -0.21 -4.99 118.68 117.17 2a2j s LEU 222 Ca 0.39 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 2a2j s LEU 222 Cb -0.22 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 43.93 2a2j s LEU 222 CO 0.25 0.18 1.55 -1.10 0.23 0.00 0.00 176.35 177.46 2a2j s GLN 223 N -2.22 4.12 0.26 1.70 -1.52 -1.26 -4.37 119.66 116.37 2a2j s GLN 223 Ca 0.23 2.57 -0.04 0.00 -1.95 0.00 0.00 55.36 56.17 2a2j s GLN 223 Cb -0.11 -3.00 0.52 0.00 -0.22 0.00 0.00 33.01 30.19 2a2j s GLN 223 CO 0.15 -0.59 1.66 -1.35 -0.25 0.00 0.00 175.29 174.91 2a2j h PRO 224 N 4.17 0.19 -1.62 2.91 0.11 -1.91 -1.55 132.00 134.31 2a2j h PRO 224 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2a2j h PRO 224 Cb 1.23 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2a2j h PRO 224 CO 0.74 0.13 0.07 0.41 -0.21 0.00 0.00 178.00 179.14 2a2j n GLY 225 N -1.38 2.63 3.56 -0.55 0.00 -1.26 -4.94 105.19 103.24 2a2j n GLY 225 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2a2j n GLY 225 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06