#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2j h GLU 25 N 0.00 0.88 -0.67 -0.52 4.39 -1.96 -3.33 114.58 113.36 2a2j h GLU 25 Ca 0.00 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.72 2a2j h GLU 25 Cb 0.00 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.39 2a2j h GLU 25 CO 0.00 0.58 0.36 0.87 -1.16 0.00 0.00 179.01 179.66 2a2j h LYS 26 N 0.90 0.62 -0.01 2.33 1.57 -1.90 0.51 116.57 120.60 2a2j h LYS 26 Ca 0.37 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2a2j h LYS 26 Cb 0.28 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2a2j h LYS 26 CO -0.14 0.41 -0.24 -0.40 -0.57 0.00 0.00 179.45 178.51 2a2j n ASP 27 N -4.82 1.37 -2.01 0.86 3.85 -1.14 -4.54 116.55 110.11 2a2j n ASP 27 Ca 0.09 -1.15 -0.07 0.00 -0.71 0.00 0.00 54.79 52.96 2a2j n ASP 27 Cb 0.21 0.17 0.03 0.00 -1.35 0.00 0.00 41.12 40.18 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 1.33 0.12 3.98 6.12 0.00 0.18 -5.12 105.19 111.79 2a2j n GLY 28 Ca 0.13 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2a2j n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a2j s GLY 30 N -3.47 1.98 0.09 -0.02 0.00 -1.26 -5.04 107.32 99.60 2a2j s GLY 30 Ca 0.03 -1.81 -0.34 0.00 0.00 0.00 0.00 44.72 42.60 2a2j s GLY 30 CO 0.29 -1.77 1.65 1.22 0.00 0.00 0.00 173.10 174.49 2a2j n ASP 31 N -2.02 3.11 -4.73 1.64 8.00 -1.26 -4.96 116.55 116.33 2a2j n ASP 31 Ca 0.09 1.06 -0.42 0.00 0.71 0.00 0.00 54.79 56.23 2a2j n ASP 31 Cb 0.62 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.30 2a2j n ASP 31 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a2j s LEU 32 N 1.72 4.36 0.29 0.64 2.96 -1.26 -5.00 118.68 122.39 2a2j s LEU 32 Ca 0.83 2.83 -0.07 0.00 -0.22 0.00 0.00 54.13 57.49 2a2j s LEU 32 Cb -0.70 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.38 2a2j s LEU 32 CO 0.42 -0.92 0.45 -0.62 -1.32 0.00 0.00 176.35 174.36 2a2j s ASP 33 N 0.99 0.38 0.20 3.68 2.15 -1.26 -4.85 116.67 117.95 2a2j s ASP 33 Ca 0.71 -1.23 -0.13 0.00 0.43 0.00 0.00 52.55 52.32 2a2j s ASP 33 Cb -0.48 0.60 0.22 0.00 -0.30 0.00 0.00 42.92 42.97 2a2j s ASP 33 CO 0.36 -1.19 1.65 -0.26 -0.17 0.00 0.00 175.17 175.56 2a2j h PHE 34 N 2.23 -0.19 -0.30 -5.34 0.04 -2.00 -0.97 116.94 110.40 2a2j h PHE 34 Ca -0.28 0.05 0.09 0.00 2.80 0.00 0.00 57.97 60.62 2a2j h PHE 34 Cb 1.25 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 2a2j h PHE 34 CO 0.90 -0.20 0.37 0.38 -0.60 0.00 0.00 178.31 179.16 2a2j h ASP 35 N 0.05 0.00 0.50 2.17 2.03 -1.99 0.73 116.42 119.90 2a2j h ASP 35 Ca 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 2a2j h ASP 35 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 2a2j h ASP 35 CO -0.54 0.00 0.00 -0.50 -1.03 0.00 0.00 179.24 177.17 2a2j h TRP 36 N 0.00 0.00 -0.70 4.15 4.06 -1.58 -2.32 115.95 119.57 2a2j h TRP 36 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 2a2j h TRP 36 Cb 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 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 -2.43 4.24 -0.25 -4.49 7.99 0.25 -4.63 117.00 117.68 2a2j n LEU 37 Ca 0.00 -2.13 0.02 0.00 -0.01 0.00 0.00 56.01 53.90 2a2j n LEU 37 Cb 0.17 -0.53 0.15 0.00 -0.11 0.00 0.00 43.42 43.10 2a2j n LEU 37 CO 0.18 0.90 1.07 0.44 -1.51 0.00 0.00 177.39 178.46 2a2j h ASP 38 N 4.18 0.45 -0.23 -1.43 3.45 -1.51 0.74 116.42 122.07 2a2j h ASP 38 Ca 0.00 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 2a2j h ASP 38 Cb 1.17 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 2a2j h ASP 38 CO 0.10 0.25 0.04 0.47 -1.57 0.00 0.00 179.24 178.53 2a2j n ASP 39 N -4.87 2.78 -0.31 6.45 8.00 -1.26 -5.03 116.55 122.30 2a2j n ASP 39 Ca 0.12 -2.37 0.04 0.00 0.71 0.00 0.00 54.79 53.28 2a2j n ASP 39 Cb 0.29 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.80 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 0.16 -1.97 0.26 0.44 0.00 0.25 -4.23 105.19 100.11 2a2j n GLY 40 Ca 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.30 0.45 -0.43 1.61 5.08 -1.96 -3.07 115.95 117.34 2a2j h TRP 41 Ca -0.01 -0.05 -0.05 0.00 1.08 0.00 0.00 58.89 59.85 2a2j h TRP 41 Cb 0.29 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.31 2a2j h TRP 41 CO -0.13 0.50 0.06 1.25 -1.28 0.00 0.00 178.44 178.84 2a2j h LEU 42 N 0.41 0.68 -0.45 0.11 6.46 -1.97 -0.86 115.31 119.68 2a2j h LEU 42 Ca 0.08 -0.27 -0.08 0.00 -0.12 0.00 0.00 57.88 57.50 2a2j h LEU 42 Cb 0.38 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2a2j h LEU 42 CO 0.02 0.78 -0.02 0.74 -0.62 0.00 0.00 178.44 179.33 2a2j h THR 43 N 0.56 1.26 -0.35 1.05 2.02 -1.71 -0.60 112.91 115.15 2a2j h THR 43 Ca 0.13 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 2a2j h THR 43 Cb 0.39 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2a2j h THR 43 CO 0.01 0.38 -0.05 0.25 0.37 0.00 0.00 175.52 176.48 2a2j h LEU 44 N 0.66 0.65 -0.74 2.58 5.85 -1.49 0.13 115.31 122.95 2a2j h LEU 44 Ca 0.13 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2a2j h LEU 44 Cb 0.53 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2a2j h LEU 44 CO 0.03 0.84 0.49 0.25 -0.34 0.00 0.00 178.44 179.70 2a2j h LEU 45 N 0.45 0.83 -0.79 2.25 5.85 -0.97 0.23 115.31 123.16 2a2j h LEU 45 Ca 0.09 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2a2j h LEU 45 Cb 0.53 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2a2j h LEU 45 CO 0.03 0.60 -0.12 0.03 -0.34 0.00 0.00 178.44 178.64 2a2j h ARG 46 N 0.98 0.79 -0.26 1.25 3.08 -0.78 0.11 114.38 119.56 2a2j h ARG 46 Ca 0.28 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2a2j h ARG 46 Cb -0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2a2j h ARG 46 CO -0.07 0.87 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.55 2a2j h ARG 47 N 0.71 0.49 -0.81 0.04 9.65 -0.21 -2.23 114.38 122.03 2a2j h ARG 47 Ca 0.12 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 2a2j h ARG 47 Cb 0.60 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 2a2j h ARG 47 CO 0.04 0.71 0.48 -1.49 2.80 0.00 0.00 179.97 182.50 2a2j h TRP 48 N 0.24 1.07 -0.32 2.20 4.06 0.07 0.11 115.95 123.39 2a2j h TRP 48 Ca 0.07 -0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.90 2a2j h TRP 48 Cb 0.52 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2a2j h TRP 48 CO 0.05 0.72 -0.27 1.25 -3.56 0.00 0.00 178.44 176.63 2a2j h LEU 49 N 1.12 0.66 -0.68 -4.49 5.85 -0.74 -1.79 115.31 115.23 2a2j h LEU 49 Ca 0.29 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 2a2j h LEU 49 Cb -0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2a2j h LEU 49 CO -0.05 0.90 -0.49 -1.13 -0.34 0.00 0.00 178.44 177.32 2a2j h ASN 50 N 0.56 0.46 -0.53 1.25 -0.73 -0.82 -1.80 115.58 113.96 2a2j h ASN 50 Ca 0.07 -0.22 -0.05 0.00 1.87 0.00 0.00 56.30 57.96 2a2j h ASN 50 Cb 0.75 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 2a2j h ASN 50 CO 0.06 0.88 0.14 0.44 -0.37 0.00 0.00 177.43 178.58 2a2j h ASP 51 N 0.33 0.83 -0.21 1.15 3.32 -0.31 -0.50 116.42 121.03 2a2j h ASP 51 Ca 0.02 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 2a2j h ASP 51 Cb 0.99 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 2a2j h ASP 51 CO 0.09 0.81 -0.20 0.00 -1.72 0.00 0.00 179.24 178.21 2a2j h ALA 52 N 1.30 0.31 0.43 3.45 0.00 -1.18 -1.08 119.26 122.49 2a2j h ALA 52 Ca 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2a2j h ALA 52 Cb 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2a2j h ALA 52 CO -0.00 0.24 -0.47 0.37 0.00 0.00 0.00 179.25 179.39 2a2j h GLN 53 N 0.19 -0.89 -0.55 0.00 5.75 -1.22 -2.03 115.11 116.36 2a2j h GLN 53 Ca 0.03 0.06 0.16 0.00 -0.15 0.00 0.00 58.65 58.75 2a2j h GLN 53 Cb 0.75 0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.48 2a2j h GLN 53 CO 0.05 -0.59 0.42 -0.09 -2.65 0.00 0.00 178.83 175.96 2a2j h ARG 54 N -0.92 0.00 -0.01 1.69 2.43 -1.10 -1.26 114.38 115.20 2a2j h ARG 54 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2a2j h ARG 54 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2a2j h ARG 54 CO -0.09 0.00 -0.05 0.00 -1.51 0.00 0.00 179.97 178.32 2a2j n ALA 55 N -2.61 2.69 -0.32 2.80 0.00 -0.41 -4.92 120.51 117.74 2a2j n ALA 55 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2a2j n ALA 55 Cb 0.64 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.19 0.71 3.61 0.00 0.00 -0.48 -5.04 105.19 105.18 2a2j n GLY 56 Ca 0.18 0.00 -0.51 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 -2.08 0.03 -2.34 1.61 0.31 -1.01 -4.96 118.33 109.89 2a2j n VAL 57 Ca 0.00 -0.01 -0.39 0.00 -0.01 0.00 0.00 64.34 63.93 2a2j n VAL 57 Cb 0.00 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 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 0.57 6.78 -1.26 4.52 0.01 -1.26 -3.84 113.70 119.21 2a2j s SER 58 Ca 0.83 2.35 -0.30 0.00 1.31 0.00 0.00 55.95 60.14 2a2j s SER 58 Cb -0.89 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 62.76 2a2j s SER 58 CO 0.45 -0.50 0.59 -0.62 0.41 0.00 0.00 173.24 173.57 2a2j n GLU 59 N 0.47 -0.38 0.15 12.44 -0.58 -1.26 -4.81 120.64 126.67 2a2j n GLU 59 Ca 0.02 0.08 0.11 0.00 -0.42 0.00 0.00 57.16 56.95 2a2j n GLU 59 Cb 0.46 -2.71 0.55 0.00 -0.57 0.00 0.00 31.44 29.16 2a2j n GLU 59 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2a2j n PRO 60 N -4.98 0.15 -0.12 3.49 -0.04 -1.25 -1.31 135.00 130.94 2a2j n PRO 60 Ca -0.14 0.57 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 2a2j n PRO 60 Cb 0.58 -1.92 0.17 0.00 -0.04 0.00 0.00 33.50 32.29 2a2j n PRO 60 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2a2j n ASN 61 N -2.23 3.21 -4.76 3.54 2.04 -1.26 -4.93 115.26 110.86 2a2j n ASN 61 Ca -0.00 -1.96 -0.40 0.00 -0.44 0.00 0.00 54.58 51.78 2a2j n ASN 61 Cb 0.09 -0.16 -0.03 0.00 -2.53 0.00 0.00 39.78 37.15 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 -1.57 3.42 0.05 -2.53 0.00 -0.43 -1.12 121.76 119.58 2a2j s ALA 62 Ca 0.33 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.39 2a2j s ALA 62 Cb 0.21 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2a2j s ALA 62 CO 0.29 -0.41 -0.10 0.00 0.00 0.00 0.00 175.76 175.54 2a2j s MET 63 N -1.69 0.63 -0.28 0.00 0.23 0.84 -4.50 119.30 114.53 2a2j s MET 63 Ca 0.48 -0.78 -0.22 0.00 -1.03 0.00 0.00 55.69 54.14 2a2j s MET 63 Cb -0.35 -0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 32.45 2a2j s MET 63 CO 0.46 0.10 0.70 0.08 -2.03 0.00 0.00 175.02 174.33 2a2j s VAL 64 N -1.24 4.91 -0.20 5.16 1.01 0.03 -0.57 120.40 129.49 2a2j s VAL 64 Ca -0.06 1.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.98 2a2j s VAL 64 Cb -0.09 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2a2j s VAL 64 CO 0.01 -0.09 0.11 -0.22 0.00 0.00 0.00 175.10 174.91 2a2j s LEU 65 N 2.69 4.04 -0.15 3.92 2.96 0.77 -1.43 118.68 131.48 2a2j s LEU 65 Ca 0.29 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.31 2a2j s LEU 65 Cb -0.15 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 2a2j s LEU 65 CO 0.10 0.15 -0.02 0.00 -1.32 0.00 0.00 176.35 175.25 2a2j s ALA 66 N 0.54 3.07 0.30 5.97 0.00 0.11 -1.12 121.76 130.63 2a2j s ALA 66 Ca 0.06 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2a2j s ALA 66 Cb -0.12 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 2a2j s ALA 66 CO 0.00 0.26 0.04 0.25 0.00 0.00 0.00 175.76 176.31 2a2j n THR 67 N 3.35 0.00 -5.09 0.00 -2.24 0.25 -2.56 114.28 107.99 2a2j n THR 67 Ca -0.17 -1.55 -0.30 0.00 -2.27 0.00 0.00 64.05 59.76 2a2j n THR 67 Cb 0.53 0.41 -0.16 0.00 -2.10 0.00 0.00 70.33 69.00 2a2j n THR 67 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2a2j s VAL 68 N -2.33 1.82 -0.28 2.28 1.01 -1.26 0.33 120.40 121.97 2a2j s VAL 68 Ca 0.05 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2a2j s VAL 68 Cb 0.00 -1.56 0.08 0.00 0.00 0.00 0.00 36.38 34.90 2a2j s VAL 68 CO 0.04 0.51 0.01 0.00 0.00 0.00 0.00 175.10 175.66 2a2j s ALA 69 N 0.09 2.11 -1.08 5.51 0.00 0.13 -4.73 121.76 123.78 2a2j s ALA 69 Ca -0.09 -1.73 -0.03 0.00 0.00 0.00 0.00 51.96 50.11 2a2j s ALA 69 Cb -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2a2j s ALA 69 CO 0.05 -1.43 0.92 -0.25 0.00 0.00 0.00 175.76 175.05 2a2j n ASP 70 N 4.60 -3.65 0.00 0.00 8.00 -1.26 -2.25 116.55 121.98 2a2j n ASP 70 Ca -0.06 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 54.95 2a2j n ASP 70 Cb 0.43 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 2a2j n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a2j n GLY 71 N -1.41 1.80 3.48 0.44 0.00 -1.26 -5.04 105.19 103.20 2a2j n GLY 71 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.05 2.24 0.30 1.61 1.02 -0.96 -5.08 119.74 118.83 2a2j s LYS 72 Ca 0.00 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 54.85 2a2j s LYS 72 Cb 0.00 -2.27 -0.10 0.00 -0.52 0.00 0.00 37.83 34.94 2a2j s LYS 72 CO 0.00 0.57 0.92 -1.25 -0.92 0.00 0.00 175.35 174.67 2a2j s PRO 73 N -1.26 4.58 -0.03 -1.68 0.04 -1.26 0.19 135.00 135.57 2a2j s PRO 73 Ca 0.14 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.51 2a2j s PRO 73 Cb -0.11 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2a2j s PRO 73 CO 0.04 0.32 -0.11 0.08 0.04 0.00 0.00 177.00 177.38 2a2j s VAL 74 N -1.55 0.92 0.03 -0.36 1.01 0.15 -4.86 120.40 115.75 2a2j s VAL 74 Ca 0.48 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.12 2a2j s VAL 74 Cb -0.19 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2a2j s VAL 74 CO 0.24 0.28 -0.25 0.42 0.00 0.00 0.00 175.10 175.80 2a2j s THR 75 N 0.22 2.25 0.23 3.92 -4.23 -1.26 -0.58 115.64 116.19 2a2j s THR 75 Ca -0.04 -1.31 -0.22 0.00 -1.18 0.00 0.00 61.69 58.94 2a2j s THR 75 Cb -0.10 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.91 2a2j s THR 75 CO 0.01 0.40 0.77 0.00 -0.54 0.00 0.00 174.62 175.26 2a2j s ARG 76 N -1.17 1.57 0.02 3.99 3.03 -0.27 -4.98 118.95 121.14 2a2j s ARG 76 Ca 0.12 -0.84 -0.15 0.00 2.03 0.00 0.00 55.73 56.89 2a2j s ARG 76 Cb -0.10 0.55 -0.06 0.00 -1.03 0.00 0.00 34.95 34.31 2a2j s ARG 76 CO 0.02 -0.72 0.43 -1.12 -1.13 0.00 0.00 175.30 172.78 2a2j s SER 77 N -2.90 6.82 0.22 -2.89 0.01 -1.26 -0.16 113.70 113.54 2a2j s SER 77 Ca 0.10 0.99 0.02 0.00 1.31 0.00 0.00 55.95 58.36 2a2j s SER 77 Cb -0.04 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2a2j s SER 77 CO 0.03 0.31 0.05 0.68 0.41 0.00 0.00 173.24 174.72 2a2j s VAL 78 N -1.11 0.65 -0.27 3.43 -7.23 0.27 -4.91 120.40 111.23 2a2j s VAL 78 Ca 0.25 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.35 2a2j s VAL 78 Cb -0.17 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 2a2j s VAL 78 CO 0.14 -0.23 0.10 -0.76 -0.31 0.00 0.00 175.10 174.05 2a2j s LEU 79 N -3.26 3.65 -0.02 1.32 1.43 -1.26 -0.11 118.68 120.43 2a2j s LEU 79 Ca 0.31 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 2a2j s LEU 79 Cb 0.07 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2a2j s LEU 79 CO 0.09 -0.08 1.40 0.00 0.23 0.00 0.00 176.35 178.00 2a2j n LYS 81 N 5.60 0.69 -4.02 0.00 4.76 0.70 -4.87 118.16 121.01 2a2j n LYS 81 Ca 0.13 -0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.36 2a2j n LYS 81 Cb 0.44 -1.17 -0.15 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.44 0.27 -0.16 -0.18 1.01 -1.18 -5.02 121.20 113.49 2a2j s ILE 82 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 2a2j s ILE 82 Cb 0.04 -0.29 0.05 0.00 0.01 0.00 0.00 42.46 42.27 2a2j s ILE 82 CO 0.30 0.12 0.01 -0.22 0.00 0.00 0.00 174.94 175.15 2a2j s LEU 83 N 0.49 1.15 0.00 2.97 0.20 -1.26 -1.04 118.68 121.19 2a2j s LEU 83 Ca -0.05 -0.61 -0.01 0.00 0.69 0.00 0.00 54.13 54.14 2a2j s LEU 83 Cb -0.08 -0.64 0.01 0.00 -0.43 0.00 0.00 46.19 45.05 2a2j s LEU 83 CO -0.01 -0.25 0.14 -0.90 -0.29 0.00 0.00 176.35 175.05 2a2j n ASP 84 N 5.03 -0.41 0.33 3.68 5.68 -0.92 -5.00 116.55 124.94 2a2j n ASP 84 Ca -0.09 -1.45 0.13 0.00 -0.50 0.00 0.00 54.79 52.87 2a2j n ASP 84 Cb 0.48 0.73 0.67 0.00 -1.14 0.00 0.00 41.12 41.86 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 0.00 0.00 0.11 3.07 -2.00 0.13 114.58 115.89 2a2j h GLU 85 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2a2j h GLU 85 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2a2j h GLU 85 CO 0.10 0.00 -0.59 -1.13 -1.40 0.00 0.00 179.01 175.99 2a2j n SER 86 N -2.79 0.62 0.00 1.42 3.41 -1.26 -4.78 113.62 110.25 2a2j n SER 86 Ca -0.02 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2a2j n SER 86 Cb 0.47 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 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 1.38 0.48 3.28 5.00 0.00 0.46 -4.02 105.19 111.77 2a2j n GLY 87 Ca 0.04 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.88 2.51 0.07 1.61 -7.23 -0.87 -2.16 120.40 111.44 2a2j s VAL 88 Ca 0.00 -0.85 0.08 0.00 -1.81 0.00 0.00 61.98 59.40 2a2j s VAL 88 Cb 0.00 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2a2j s VAL 88 CO 0.00 0.54 -0.21 0.00 -0.31 0.00 0.00 175.10 175.12 2a2j s ALA 89 N 0.39 2.51 0.15 1.32 0.00 -0.21 -0.56 121.76 125.37 2a2j s ALA 89 Ca -0.14 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 2a2j s ALA 89 Cb -0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2a2j s ALA 89 CO 0.07 0.56 0.07 -0.59 0.00 0.00 0.00 175.76 175.87 2a2j s PHE 90 N -0.95 0.96 0.05 0.00 -0.12 -0.70 -0.22 117.98 116.99 2a2j s PHE 90 Ca 0.14 -1.26 0.09 0.00 -0.05 0.00 0.00 56.93 55.85 2a2j s PHE 90 Cb -0.10 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.74 2a2j s PHE 90 CO 0.05 -0.53 -0.25 -0.06 -0.05 0.00 0.00 175.22 174.38 2a2j s PHE 91 N -4.06 2.21 0.00 3.49 0.40 -1.26 -0.19 117.98 118.57 2a2j s PHE 91 Ca 0.28 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 2a2j s PHE 91 Cb 0.07 -1.32 0.10 0.00 0.51 0.00 0.00 43.02 42.39 2a2j s PHE 91 CO 0.05 0.12 0.99 -0.08 0.70 0.00 0.00 175.22 176.99 2a2j s THR 92 N -0.81 0.00 0.10 0.64 -1.32 0.24 -4.91 115.64 109.59 2a2j s THR 92 Ca 0.11 -0.17 -0.31 0.00 -1.21 0.00 0.00 61.69 60.12 2a2j s THR 92 Cb -0.10 -1.30 -0.07 0.00 -1.51 0.00 0.00 72.50 69.53 2a2j s THR 92 CO 0.02 0.00 1.25 -0.55 -2.21 0.00 0.00 174.62 173.13 2a2j s SER 93 N -2.58 7.01 0.61 8.08 0.15 -1.26 -1.72 113.70 123.99 2a2j s SER 93 Ca 0.08 2.15 0.34 0.00 0.70 0.00 0.00 55.95 59.22 2a2j s SER 93 Cb -0.01 -2.59 2.01 0.00 -1.71 0.00 0.00 66.02 63.73 2a2j s SER 93 CO -0.05 -0.50 2.29 1.88 1.20 0.00 0.00 173.24 178.06 2a2j h TYR 94 N 6.46 0.00 -0.00 3.44 0.05 -1.15 -2.42 116.97 123.35 2a2j h TYR 94 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.36 2a2j h TYR 94 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 2a2j h TYR 94 CO 0.66 0.00 -0.06 0.25 -1.05 0.00 0.00 178.16 177.95 2a2j n THR 95 N -3.60 0.00 -1.52 -2.88 -2.24 -1.26 -4.11 114.28 98.67 2a2j n THR 95 Ca -0.03 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 2a2j n THR 95 Cb 0.08 -0.38 0.10 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.84 4.22 0.25 3.42 1.04 -0.91 -4.84 113.70 114.04 2a2j s SER 96 Ca 0.19 1.26 -0.05 0.00 0.48 0.00 0.00 55.95 57.83 2a2j s SER 96 Cb 0.19 -1.96 0.32 0.00 0.10 0.00 0.00 66.02 64.67 2a2j s SER 96 CO 0.53 -2.13 1.90 0.00 0.98 0.00 0.00 173.24 174.51 2a2j h ALA 97 N -1.20 1.29 -0.69 5.32 0.00 -1.90 -2.30 119.26 119.78 2a2j h ALA 97 Ca -0.48 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.54 2a2j h ALA 97 Cb 1.28 -0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 2a2j h ALA 97 CO 0.59 0.51 0.09 1.57 0.00 0.00 0.00 179.25 182.02 2a2j h LYS 98 N 1.22 0.19 -0.22 0.00 2.10 -1.93 -1.52 116.57 116.42 2a2j h LYS 98 Ca 0.39 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 59.02 2a2j h LYS 98 Cb 0.01 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 2a2j h LYS 98 CO -0.12 0.13 0.13 0.78 -2.00 0.00 0.00 179.45 178.36 2a2j h GLY 99 N 0.20 0.32 0.96 0.07 0.00 -1.64 -1.30 103.07 101.67 2a2j h GLY 99 Ca 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 2a2j h GLY 99 CO -0.53 0.13 0.18 -2.09 0.00 0.00 0.00 176.54 174.23 2a2j h GLU 100 N 0.26 0.70 -0.55 4.80 4.81 -1.11 -1.51 114.58 121.98 2a2j h GLU 100 Ca 0.08 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2a2j h GLU 100 Cb 0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2a2j h GLU 100 CO -0.01 0.65 0.07 1.96 -0.73 0.00 0.00 179.01 180.94 2a2j h GLN 101 N 0.61 0.89 0.00 1.92 4.20 -1.21 -1.88 115.11 119.64 2a2j h GLN 101 Ca 0.15 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2a2j h GLN 101 Cb 0.21 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2a2j h GLN 101 CO -0.01 0.84 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.86 2a2j h LEU 102 N 0.84 0.00 -0.01 1.46 3.38 -1.10 -0.10 115.31 119.78 2a2j h LEU 102 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 2a2j h LEU 102 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2a2j h LEU 102 CO 0.01 0.06 -0.59 0.00 0.09 0.00 0.00 178.44 178.01 2a2j h ALA 103 N 1.94 0.09 0.23 1.53 0.00 -0.52 -2.93 119.26 119.60 2a2j h ALA 103 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2a2j h ALA 103 Cb 0.89 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2a2j h ALA 103 CO 0.01 0.35 -0.11 0.28 0.00 0.00 0.00 179.25 179.78 2a2j h VAL 104 N -0.09 0.84 -3.34 0.00 2.07 -1.33 -3.41 116.25 111.00 2a2j h VAL 104 Ca -0.07 -0.49 -0.63 0.00 0.82 0.00 0.00 66.70 66.33 2a2j h VAL 104 Cb 1.29 1.13 -0.41 0.00 -1.52 0.00 0.00 31.29 31.78 2a2j h VAL 104 CO 0.12 0.11 -0.68 -0.89 0.02 0.00 0.00 177.57 176.25 2a2j s THR 105 N -5.10 2.19 -1.53 2.57 2.01 -0.06 -5.02 115.64 110.70 2a2j s THR 105 Ca -0.15 -2.89 -0.09 0.00 0.31 0.00 0.00 61.69 58.88 2a2j s THR 105 Cb 0.03 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 2a2j s THR 105 CO 0.60 -0.78 2.88 -0.81 -0.69 0.00 0.00 174.62 175.82 2a2j n PRO 106 N 3.49 3.83 -3.95 4.92 -0.04 -1.10 -4.29 135.00 137.86 2a2j n PRO 106 Ca 0.05 -2.41 -0.11 0.00 -0.04 0.00 0.00 63.50 61.00 2a2j n PRO 106 Cb 0.35 -2.75 -0.12 0.00 -0.04 0.00 0.00 33.50 30.94 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 1.52 0.20 0.14 0.54 1.51 -1.26 -0.96 117.35 119.03 2a2j s TYR 107 Ca 0.67 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 56.40 2a2j s TYR 107 Cb 0.18 -0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.86 2a2j s TYR 107 CO -0.07 -0.11 0.07 0.00 -1.11 0.00 0.00 175.55 174.33 2a2j s ALA 108 N -0.87 0.85 0.03 3.71 0.00 -0.78 -4.71 121.76 119.98 2a2j s ALA 108 Ca -0.09 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.45 2a2j s ALA 108 Cb -0.06 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 2a2j s ALA 108 CO -0.01 -0.50 -0.13 0.45 0.00 0.00 0.00 175.76 175.57 2a2j s SER 109 N -3.05 1.56 0.04 0.00 0.15 -1.06 -2.08 113.70 109.26 2a2j s SER 109 Ca 0.25 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.54 2a2j s SER 109 Cb 0.07 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.25 2a2j s SER 109 CO 0.02 0.05 -0.13 0.00 1.20 0.00 0.00 173.24 174.39 2a2j s ALA 110 N -0.74 1.03 -0.06 5.45 0.00 -0.47 0.07 121.76 127.05 2a2j s ALA 110 Ca 0.02 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2a2j s ALA 110 Cb -0.07 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2a2j s ALA 110 CO 0.01 0.16 -0.13 0.99 0.00 0.00 0.00 175.76 176.79 2a2j s THR 111 N -0.97 1.19 -0.34 0.00 2.01 -0.51 -0.70 115.64 116.31 2a2j s THR 111 Ca -0.01 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 2a2j s THR 111 Cb -0.08 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 2a2j s THR 111 CO 0.01 0.36 0.43 -0.36 -0.69 0.00 0.00 174.62 174.38 2a2j s PHE 112 N 0.49 3.20 -1.06 4.92 0.40 0.05 -0.79 117.98 125.20 2a2j s PHE 112 Ca -0.12 0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.20 2a2j s PHE 112 Cb -0.14 -2.78 0.24 0.00 0.51 0.00 0.00 43.02 40.85 2a2j s PHE 112 CO 0.03 -0.47 1.10 -1.25 0.70 0.00 0.00 175.22 175.33 2a2j s PRO 113 N 2.19 4.02 -1.21 0.24 0.04 -1.26 -2.77 135.00 136.26 2a2j s PRO 113 Ca 0.15 -2.86 -0.05 0.00 0.04 0.00 0.00 61.00 58.28 2a2j s PRO 113 Cb -0.16 -4.64 0.13 0.00 0.04 0.00 0.00 34.50 29.87 2a2j s PRO 113 CO 0.12 -1.37 2.37 0.91 0.04 0.00 0.00 177.00 179.07 2a2j n TRP 114 N 3.71 2.51 -0.28 0.56 8.01 -0.58 -4.81 117.44 126.57 2a2j n TRP 114 Ca 0.24 -2.71 0.05 0.00 -1.31 0.00 0.00 57.50 53.78 2a2j n TRP 114 Cb 0.42 -1.73 0.20 0.00 -2.01 0.00 0.00 31.31 28.19 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 4.39 0.74 -0.77 -5.99 0.99 -1.92 -0.59 116.97 113.82 2a2j h TYR 115 Ca 0.66 0.03 0.22 0.00 2.00 0.00 0.00 58.73 61.64 2a2j h TYR 115 Cb 0.34 -0.21 -0.03 0.00 1.00 0.00 0.00 36.73 37.83 2a2j h TYR 115 CO 1.57 0.21 0.62 0.37 -0.00 0.00 0.00 178.16 180.93 2a2j h GLN 116 N 0.63 0.00 -0.19 4.88 4.15 -1.92 -0.16 115.11 122.50 2a2j h GLN 116 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.85 2a2j h GLN 116 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2a2j h GLN 116 CO -0.33 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 177.85 2a2j n LEU 117 N -4.04 2.55 -3.07 -2.39 4.32 -0.26 -4.80 117.00 109.31 2a2j n LEU 117 Ca 0.16 -1.41 -0.22 0.00 -0.02 0.00 0.00 56.01 54.52 2a2j n LEU 117 Cb 0.90 -0.12 0.05 0.00 -1.62 0.00 0.00 43.42 42.64 2a2j n LEU 117 CO 0.35 0.55 0.10 0.61 -1.22 0.00 0.00 177.39 177.78 2a2j n GLY 118 N 0.76 -0.45 3.18 -0.72 0.00 -0.07 -2.91 105.19 104.98 2a2j n GLY 118 Ca 0.11 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.89 0.84 -0.00 1.61 0.52 -1.02 0.17 118.95 115.18 2a2j s ARG 119 Ca 0.40 -1.02 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 2a2j s ARG 119 Cb -0.18 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.55 2a2j s ARG 119 CO 0.49 0.15 0.16 -0.65 0.02 0.00 0.00 175.30 175.48 2a2j s GLN 120 N -2.07 0.49 -0.02 3.54 -0.21 -0.51 -1.52 119.66 119.37 2a2j s GLN 120 Ca 0.01 -0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.09 2a2j s GLN 120 Cb -0.08 0.21 -0.00 0.00 1.00 0.00 0.00 33.01 34.14 2a2j s GLN 120 CO 0.02 -0.12 -0.10 0.00 -2.12 0.00 0.00 175.29 172.97 2a2j s ALA 121 N -1.27 0.92 -0.02 6.09 0.00 -1.11 -0.54 121.76 125.82 2a2j s ALA 121 Ca -0.13 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.49 2a2j s ALA 121 Cb -0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2a2j s ALA 121 CO 0.02 0.17 -0.21 -1.01 0.00 0.00 0.00 175.76 174.73 2a2j s HIS 122 N 0.04 2.48 -0.09 0.00 0.09 -0.11 -0.77 115.29 116.94 2a2j s HIS 122 Ca -0.01 -0.32 0.02 0.00 -0.00 0.00 0.00 55.06 54.75 2a2j s HIS 122 Cb -0.07 -1.54 0.02 0.00 -0.00 0.00 0.00 32.58 30.98 2a2j s HIS 122 CO 0.00 0.07 -0.12 0.08 -0.00 0.00 0.00 174.74 174.78 2a2j s VAL 123 N -0.69 1.19 0.06 -0.90 1.01 0.12 -0.66 120.40 120.54 2a2j s VAL 123 Ca 0.11 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2a2j s VAL 123 Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2a2j s VAL 123 CO 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 175.10 175.34 2a2j s GLN 124 N 0.98 0.81 0.00 2.72 -2.07 0.84 -1.37 119.66 121.57 2a2j s GLN 124 Ca -0.08 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.55 2a2j s GLN 124 Cb -0.15 -0.81 0.00 0.00 -1.09 0.00 0.00 33.01 30.97 2a2j s GLN 124 CO -0.00 0.18 0.00 0.41 -1.32 0.00 0.00 175.29 174.56 2a2j n GLY 125 N 1.40 -0.76 3.77 2.60 0.00 -0.88 -1.54 105.19 109.78 2a2j n GLY 125 Ca -0.21 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 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 3.49 -0.05 1.61 0.04 -1.26 -1.87 135.00 134.96 2a2j s PRO 126 Ca 0.00 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 2a2j s PRO 126 Cb 0.00 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2a2j s PRO 126 CO 0.00 -0.74 0.11 0.08 0.04 0.00 0.00 177.00 176.49 2a2j s VAL 127 N -1.72 5.06 0.11 -0.36 1.01 -0.13 -1.74 120.40 122.62 2a2j s VAL 127 Ca 0.70 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.56 2a2j s VAL 127 Cb -0.25 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2a2j s VAL 127 CO 0.28 0.46 -0.08 -0.94 0.00 0.00 0.00 175.10 174.82 2a2j s SER 128 N -1.46 1.40 0.56 3.32 1.04 -1.04 -4.87 113.70 112.64 2a2j s SER 128 Ca 0.20 -0.95 -0.19 0.00 0.48 0.00 0.00 55.95 55.49 2a2j s SER 128 Cb -0.12 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 2a2j s SER 128 CO 0.11 -0.37 1.16 -0.54 0.98 0.00 0.00 173.24 174.57 2a2j s LYS 129 N -3.52 3.23 0.52 4.02 1.02 -1.26 -0.99 119.74 122.76 2a2j s LYS 129 Ca 0.11 1.69 -0.04 0.00 0.02 0.00 0.00 55.97 57.76 2a2j s LYS 129 Cb 0.02 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 2a2j s LYS 129 CO -0.02 -0.97 0.81 0.14 -0.92 0.00 0.00 175.35 174.39 2a2j s VAL 130 N -1.70 4.13 0.56 3.17 -7.23 -1.14 -4.81 120.40 113.38 2a2j s VAL 130 Ca 0.74 -0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 60.65 2a2j s VAL 130 Cb -0.26 -3.59 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 2a2j s VAL 130 CO 0.29 -0.55 1.23 -0.94 -0.31 0.00 0.00 175.10 174.82 2a2j s SER 131 N -4.22 5.39 0.25 4.85 1.04 -1.26 -4.80 113.70 114.96 2a2j s SER 131 Ca 0.50 2.45 -0.04 0.00 0.48 0.00 0.00 55.95 59.35 2a2j s SER 131 Cb -0.10 -2.61 0.48 0.00 0.10 0.00 0.00 66.02 63.89 2a2j s SER 131 CO 0.43 -1.46 1.72 0.74 0.98 0.00 0.00 173.24 175.65 2a2j h THR 132 N 1.19 0.63 -0.08 2.02 2.02 -1.99 -0.33 112.91 116.37 2a2j h THR 132 Ca -0.50 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 66.54 2a2j h THR 132 Cb 1.29 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2a2j h THR 132 CO 0.56 0.08 -0.05 1.21 0.37 0.00 0.00 175.52 177.69 2a2j n GLU 133 N -5.02 -0.03 -0.27 6.66 4.07 -1.26 -1.83 120.64 122.95 2a2j n GLU 133 Ca 0.15 0.94 -0.01 0.00 -0.06 0.00 0.00 57.16 58.18 2a2j n GLU 133 Cb 0.44 -1.41 0.10 0.00 -0.06 0.00 0.00 31.44 30.51 2a2j n GLU 133 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2a2j h GLU 134 N 0.00 0.84 -0.73 5.31 5.08 -1.65 -2.37 114.58 121.06 2a2j h GLU 134 Ca 0.01 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2a2j h GLU 134 Cb 0.03 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.02 2a2j h GLU 134 CO -0.07 0.56 0.38 0.82 -1.00 0.00 0.00 179.01 179.69 2a2j h ILE 135 N 0.86 0.86 0.66 3.13 2.04 -0.92 -2.29 117.51 121.86 2a2j h ILE 135 Ca 0.32 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2a2j h ILE 135 Cb 0.11 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2a2j h ILE 135 CO -0.15 0.12 -0.32 0.15 0.00 0.00 0.00 178.15 177.95 2a2j h PHE 136 N 0.64 -0.83 -0.61 1.37 3.57 -0.83 -1.03 116.94 119.22 2a2j h PHE 136 Ca 0.36 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.90 2a2j h PHE 136 Cb 0.37 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 2a2j h PHE 136 CO -0.10 -0.49 -0.43 1.15 -2.23 0.00 0.00 178.31 176.21 2a2j h THR 137 N -0.97 0.00 -0.15 4.41 2.02 -1.37 0.13 112.91 116.98 2a2j h THR 137 Ca -0.09 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 2a2j h THR 137 Cb 0.71 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2a2j h THR 137 CO 0.15 0.00 -0.31 1.88 0.37 0.00 0.00 175.52 177.61 2a2j h TYR 138 N -0.09 0.32 -0.64 3.16 0.05 -1.44 -1.13 116.97 117.20 2a2j h TYR 138 Ca 0.10 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.84 2a2j h TYR 138 Cb 0.34 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 2a2j h TYR 138 CO -0.91 0.57 0.42 2.35 -1.05 0.00 0.00 178.16 179.53 2a2j h TRP 139 N 0.25 0.75 0.00 4.88 2.91 -0.72 -2.98 115.95 121.04 2a2j h TRP 139 Ca 0.03 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.07 2a2j h TRP 139 Cb 0.67 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 2a2j h TRP 139 CO 0.01 0.44 -0.04 0.77 -1.03 0.00 0.00 178.44 178.60 2a2j h SER 140 N 0.78 0.00 1.47 2.65 0.02 0.51 -2.96 113.55 116.02 2a2j h SER 140 Ca 0.25 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2a2j h SER 140 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2a2j h SER 140 CO -0.07 0.00 -0.31 0.24 -1.14 0.00 0.00 176.83 175.56 2a2j h MET 141 N 0.00 0.00 -6.50 3.45 2.86 -1.30 -3.46 114.93 109.97 2a2j h MET 141 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 2a2j h MET 141 Cb 0.98 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.67 2a2j h MET 141 CO 0.00 0.00 1.13 1.03 1.06 0.00 0.00 176.91 180.13 2a2j s ARG 142 N -3.20 4.13 0.33 1.72 0.52 -1.12 -4.92 118.95 116.41 2a2j s ARG 142 Ca 0.06 2.61 -0.29 0.00 -0.52 0.00 0.00 55.73 57.60 2a2j s ARG 142 Cb 0.09 -3.65 -0.11 0.00 0.52 0.00 0.00 34.95 31.80 2a2j s ARG 142 CO 0.68 -0.86 1.54 -2.30 0.02 0.00 0.00 175.30 174.38 2a2j n PRO 143 N 5.86 2.67 0.33 3.54 -0.01 -1.26 -4.71 135.00 141.41 2a2j n PRO 143 Ca 0.18 0.94 0.22 0.00 -0.01 0.00 0.00 63.50 64.84 2a2j n PRO 143 Cb 0.38 -2.69 1.18 0.00 -0.01 0.00 0.00 33.50 32.36 2a2j n PRO 143 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 175.50 175.56 2a2j h ARG 144 N 3.86 0.00 0.00 -0.52 0.11 -1.96 0.11 114.38 115.99 2a2j h ARG 144 Ca -0.49 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.59 2a2j h ARG 144 Cb 1.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 2a2j h ARG 144 CO 0.72 0.00 -0.01 0.78 0.10 0.00 0.00 179.97 181.55 2a2j h GLY 145 N 0.16 0.00 0.90 0.08 0.00 -2.02 -2.66 103.07 99.53 2a2j h GLY 145 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2a2j h GLY 145 CO 0.00 0.00 -1.77 0.00 0.00 0.00 0.00 176.54 174.77 2a2j n ALA 146 N -2.50 1.42 -0.35 3.60 0.00 0.30 -3.45 120.51 119.53 2a2j n ALA 146 Ca -0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 53.44 52.63 2a2j n ALA 146 Cb 0.10 -0.80 0.11 0.00 0.00 0.00 0.00 19.45 18.85 2a2j n ALA 146 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2a2j h GLN 147 N 0.01 1.22 -0.03 0.00 4.20 -0.98 -0.09 115.11 119.44 2a2j h GLN 147 Ca -0.31 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 2a2j h GLN 147 Cb 2.03 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 29.53 2a2j h GLN 147 CO 0.08 0.81 0.00 -0.07 -0.67 0.00 0.00 178.83 178.98 2a2j h LEU 148 N 1.26 0.04 -0.70 1.46 3.38 -1.67 -3.01 115.31 116.07 2a2j h LEU 148 Ca 0.36 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2a2j h LEU 148 Cb -0.11 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.53 2a2j h LEU 148 CO -0.09 0.32 0.18 1.23 0.09 0.00 0.00 178.44 180.17 2a2j h GLY 149 N -0.24 0.95 0.82 0.83 0.00 -1.43 0.18 103.07 104.19 2a2j h GLY 149 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2a2j h GLY 149 CO 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 176.54 176.06 2a2j h ALA 150 N 1.56 -0.79 -0.78 3.60 0.00 -1.01 -2.36 119.26 119.49 2a2j h ALA 150 Ca 0.38 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2a2j h ALA 150 Cb 0.62 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2a2j h ALA 150 CO -0.46 -0.96 0.51 -1.49 0.00 0.00 0.00 179.25 176.85 2a2j h TRP 151 N -0.78 0.78 -0.45 0.00 4.06 -1.18 -2.58 115.95 115.80 2a2j h TRP 151 Ca -0.05 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.84 2a2j h TRP 151 Cb 0.65 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 2a2j h TRP 151 CO -0.12 0.37 -0.04 0.00 -3.56 0.00 0.00 178.44 175.10 2a2j h ALA 152 N 1.60 1.09 -1.83 1.49 0.00 -0.24 -3.41 119.26 117.95 2a2j h ALA 152 Ca 0.36 -0.28 -0.56 0.00 0.00 0.00 0.00 54.91 54.43 2a2j h ALA 152 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2a2j h ALA 152 CO -0.13 0.57 1.39 0.45 0.00 0.00 0.00 179.25 181.53 2a2j s SER 153 N -6.67 5.53 -1.31 0.00 0.15 -0.93 -4.69 113.70 105.78 2a2j s SER 153 Ca -0.09 1.36 -0.09 0.00 0.70 0.00 0.00 55.95 57.83 2a2j s SER 153 Cb 0.14 -2.52 0.15 0.00 -1.71 0.00 0.00 66.02 62.08 2a2j s SER 153 CO 0.81 -1.99 2.02 1.67 1.20 0.00 0.00 173.24 176.95 2a2j n GLN 154 N 8.68 3.78 0.00 5.44 7.27 -1.26 -4.92 117.38 136.36 2a2j n GLN 154 Ca 0.26 -3.44 0.00 0.00 0.07 0.00 0.00 57.00 53.89 2a2j n GLN 154 Cb 0.48 -2.88 0.00 0.00 2.41 0.00 0.00 30.24 30.25 2a2j n GLN 154 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2a2j n GLN 155 N 3.53 0.00 -3.14 3.69 1.13 -1.26 -0.52 117.38 120.81 2a2j n GLN 155 Ca 0.45 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 2a2j n GLN 155 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.69 2a2j n GLN 155 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2a2j n SER 156 N 0.00 0.00 -4.63 1.08 7.64 -1.26 -4.92 113.62 111.53 2a2j n SER 156 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2a2j n SER 156 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2a2j n SER 156 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2a2j s ARG 157 N -4.10 3.51 0.38 1.43 3.52 0.32 -5.08 118.95 118.93 2a2j s ARG 157 Ca 0.00 -0.40 -0.27 0.00 -0.13 0.00 0.00 55.73 54.93 2a2j s ARG 157 Cb 0.00 -2.98 -0.11 0.00 -1.56 0.00 0.00 34.95 30.30 2a2j s ARG 157 CO 0.00 0.45 1.33 -2.30 -0.81 0.00 0.00 175.30 173.97 2a2j n PRO 158 N 2.95 2.18 -4.09 5.12 -0.02 -1.26 -5.00 135.00 134.87 2a2j n PRO 158 Ca -0.18 0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 61.91 2a2j n PRO 158 Cb 0.53 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.43 2a2j n PRO 158 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2a2j s VAL 159 N -1.14 0.34 0.00 -1.45 1.01 -1.26 -5.06 120.40 112.84 2a2j s VAL 159 Ca 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2a2j s VAL 159 Cb -0.52 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2a2j s VAL 159 CO 0.61 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.44 2a2j n GLY 160 N 3.29 0.00 3.28 4.51 0.00 -1.26 -5.04 105.19 109.98 2a2j n GLY 160 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.11 0.31 0.12 1.61 1.04 -1.26 -5.00 113.70 108.42 2a2j s SER 161 Ca 0.00 -1.37 0.16 0.00 0.48 0.00 0.00 55.95 55.22 2a2j s SER 161 Cb 0.00 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.48 2a2j s SER 161 CO 0.00 -0.93 1.01 -0.09 0.98 0.00 0.00 173.24 174.21 2a2j h ARG 162 N 2.49 0.00 -0.72 4.02 9.65 -2.00 -3.25 114.38 124.57 2a2j h ARG 162 Ca -0.33 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.49 2a2j h ARG 162 Cb 1.25 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.80 2a2j h ARG 162 CO 0.48 0.37 0.23 0.00 2.80 0.00 0.00 179.97 183.84 2a2j h ALA 163 N 1.43 0.94 -0.02 2.80 0.00 -2.00 -2.30 119.26 120.12 2a2j h ALA 163 Ca -0.11 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2a2j h ALA 163 Cb 1.53 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2a2j h ALA 163 CO 0.05 0.62 0.02 0.37 0.00 0.00 0.00 179.25 180.31 2a2j h GLN 164 N 1.06 0.00 -0.20 0.00 4.15 -1.98 0.65 115.11 118.79 2a2j h GLN 164 Ca 0.23 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.47 2a2j h GLN 164 Cb 0.30 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 2a2j h GLN 164 CO -0.01 0.00 -0.61 -0.07 -1.93 0.00 0.00 178.83 176.21 2a2j h LEU 165 N 0.00 0.78 -0.44 -2.39 3.38 -1.49 -2.49 115.31 112.66 2a2j h LEU 165 Ca 0.01 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2a2j h LEU 165 Cb 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2a2j h LEU 165 CO -0.00 1.21 0.01 0.44 0.09 0.00 0.00 178.44 180.19 2a2j h ASP 166 N 0.51 0.76 -0.56 -0.43 3.45 -0.60 -2.51 116.42 117.04 2a2j h ASP 166 Ca -0.01 -0.30 -0.05 0.00 0.43 0.00 0.00 57.03 57.11 2a2j h ASP 166 Cb 1.20 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.74 2a2j h ASP 166 CO 0.12 0.88 0.19 0.78 -1.57 0.00 0.00 179.24 179.64 2a2j h ASN 167 N 0.62 0.84 -0.12 6.45 2.35 -1.10 -0.17 115.58 124.46 2a2j h ASN 167 Ca 0.13 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2a2j h ASN 167 Cb 0.48 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2a2j h ASN 167 CO 0.02 0.80 -0.01 1.56 -1.65 0.00 0.00 177.43 178.15 2a2j h GLN 168 N 0.88 0.03 -0.42 0.81 4.20 -1.13 0.17 115.11 119.65 2a2j h GLN 168 Ca 0.20 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 2a2j h GLN 168 Cb 0.26 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2a2j h GLN 168 CO -0.01 0.02 -0.17 1.25 -0.67 0.00 0.00 178.83 179.25 2a2j h LEU 169 N 0.03 0.88 -0.09 1.46 5.85 -1.08 -1.92 115.31 120.43 2a2j h LEU 169 Ca 0.06 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.41 2a2j h LEU 169 Cb 0.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2a2j h LEU 169 CO -0.10 1.07 -0.07 0.00 -0.34 0.00 0.00 178.44 179.00 2a2j h ALA 170 N 0.83 0.00 -0.76 1.25 0.00 -0.74 -0.42 119.26 119.43 2a2j h ALA 170 Ca 0.10 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2a2j h ALA 170 Cb 0.73 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2a2j h ALA 170 CO 0.06 -0.54 0.45 1.49 0.00 0.00 0.00 179.25 180.71 2a2j h GLU 171 N -0.08 0.80 -0.14 0.00 4.81 -0.60 -1.69 114.58 117.67 2a2j h GLU 171 Ca 0.06 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 2a2j h GLU 171 Cb 0.17 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2a2j h GLU 171 CO -0.14 0.53 -0.49 0.28 -0.73 0.00 0.00 179.01 178.45 2a2j h VAL 172 N 0.83 1.33 -0.36 0.32 2.07 -1.20 -3.04 116.25 116.20 2a2j h VAL 172 Ca 0.34 -1.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 2a2j h VAL 172 Cb 0.19 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2a2j h VAL 172 CO -0.18 0.52 0.03 0.74 0.02 0.00 0.00 177.57 178.70 2a2j h THR 173 N 0.30 1.25 -0.14 2.57 2.02 -0.22 -3.03 112.91 115.65 2a2j h THR 173 Ca 0.01 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 2a2j h THR 173 Cb 0.98 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2a2j h THR 173 CO 0.08 0.31 0.08 -0.09 0.37 0.00 0.00 175.52 176.27 2a2j h ARG 174 N 0.45 0.20 -0.15 6.66 2.43 -1.35 -0.71 114.38 121.91 2a2j h ARG 174 Ca 0.11 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2a2j h ARG 174 Cb 0.41 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2a2j h ARG 174 CO 0.01 0.21 0.13 -0.09 -1.51 0.00 0.00 179.97 178.72 2a2j h ARG 175 N 0.14 0.00 -0.00 0.20 2.43 -1.54 -1.76 114.38 113.84 2a2j h ARG 175 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2a2j h ARG 175 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2a2j h ARG 175 CO -0.01 0.00 -0.00 1.19 -1.51 0.00 0.00 179.97 179.64 2a2j n PHE 176 N -4.17 0.00 -0.33 2.20 3.01 -1.15 -4.79 117.46 112.23 2a2j n PHE 176 Ca 0.01 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.67 2a2j n PHE 176 Cb 0.25 0.00 0.39 0.00 -0.01 0.00 0.00 39.48 40.11 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 0.40 1.52 -0.36 4.37 0.00 -0.18 0.29 119.26 125.31 2a2j h ALA 177 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2a2j h ALA 177 Cb 0.08 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2a2j h ALA 177 CO 0.00 -0.67 0.00 -0.25 0.00 0.00 0.00 179.25 178.33 2a2j n ASP 178 N -5.35 2.78 -4.31 0.00 8.00 -1.26 -4.85 116.55 111.55 2a2j n ASP 178 Ca 0.28 -2.23 -0.32 0.00 0.71 0.00 0.00 54.79 53.23 2a2j n ASP 178 Cb 0.91 -0.42 -0.15 0.00 -0.02 0.00 0.00 41.12 41.44 2a2j n ASP 178 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2a2j s GLN 179 N -1.69 3.15 -0.00 -1.24 -0.44 0.10 -4.99 119.66 114.55 2a2j s GLN 179 Ca 0.28 -0.78 0.16 0.00 -2.50 0.00 0.00 55.36 52.52 2a2j s GLN 179 Cb 0.18 -2.46 -0.18 0.00 -1.64 0.00 0.00 33.01 28.91 2a2j s GLN 179 CO 0.14 0.24 0.65 -0.25 0.50 0.00 0.00 175.29 176.57 2a2j n ASP 180 N 3.41 0.78 -3.59 6.67 8.00 -1.26 -4.63 116.55 125.93 2a2j n ASP 180 Ca -0.18 -0.82 -0.27 0.00 0.71 0.00 0.00 54.79 54.23 2a2j n ASP 180 Cb 0.53 1.05 -0.10 0.00 -0.02 0.00 0.00 41.12 42.58 2a2j n ASP 180 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2a2j n GLN 181 N -1.42 1.77 -1.70 -1.24 7.27 -1.26 -5.08 117.38 115.73 2a2j n GLN 181 Ca 0.03 -4.26 -0.43 0.00 0.07 0.00 0.00 57.00 52.41 2a2j n GLN 181 Cb 0.26 -2.09 -0.03 0.00 2.41 0.00 0.00 30.24 30.79 2a2j n GLN 181 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2a2j n ILE 182 N 1.60 0.26 -2.13 1.69 5.41 -1.26 -4.97 119.36 119.95 2a2j n ILE 182 Ca 0.25 -0.05 -0.30 0.00 1.00 0.00 0.00 62.75 63.65 2a2j n ILE 182 Cb 0.41 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 2a2j n ILE 182 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2a2j s PRO 183 N 2.27 3.63 0.06 0.38 0.04 -1.26 -5.03 135.00 135.09 2a2j s PRO 183 Ca 0.80 0.64 -0.34 0.00 0.04 0.00 0.00 61.00 62.14 2a2j s PRO 183 Cb -0.50 -2.16 -0.13 0.00 0.04 0.00 0.00 34.50 31.75 2a2j s PRO 183 CO 0.36 -0.44 1.70 0.28 0.04 0.00 0.00 177.00 178.95 2a2j n VAL 184 N -2.46 0.24 -1.68 -0.36 0.31 -1.26 -4.99 118.33 108.13 2a2j n VAL 184 Ca 0.05 -0.04 -0.37 0.00 -0.01 0.00 0.00 64.34 63.97 2a2j n VAL 184 Cb 0.54 -1.68 0.07 0.00 -0.91 0.00 0.00 33.84 31.87 2a2j n VAL 184 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2a2j n PRO 185 N 4.76 1.04 0.03 5.55 -0.02 -1.26 -4.91 135.00 140.19 2a2j n PRO 185 Ca 0.19 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 62.13 2a2j n PRO 185 Cb 0.29 -2.51 0.45 0.00 -0.02 0.00 0.00 33.50 31.71 2a2j n PRO 185 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2a2j h PRO 186 N 0.43 0.48 -1.33 0.52 0.13 -2.03 -2.76 132.00 127.43 2a2j h PRO 186 Ca -0.51 -0.03 -0.61 0.00 -0.87 0.00 0.00 66.00 63.99 2a2j h PRO 186 Cb 1.34 -0.11 -0.39 0.00 0.13 0.00 0.00 31.00 31.97 2a2j h PRO 186 CO 0.52 0.32 -0.40 0.41 -0.23 0.00 0.00 178.00 178.63 2a2j n GLY 187 N -1.48 6.05 3.15 1.56 0.00 -1.26 -4.98 105.19 108.22 2a2j n GLY 187 Ca 0.02 -2.67 -0.33 0.00 0.00 0.00 0.00 46.02 43.05 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 -3.65 2.74 0.00 1.61 -0.00 -1.04 -0.54 118.94 118.06 2a2j s TRP 188 Ca 0.51 -1.49 0.00 0.00 -0.00 0.00 0.00 56.10 55.11 2a2j s TRP 188 Cb 0.42 -1.88 0.00 0.00 -0.00 0.00 0.00 33.47 32.01 2a2j s TRP 188 CO -0.14 -0.71 0.00 0.41 -0.00 0.00 0.00 176.95 176.50 2a2j n GLY 189 N 4.38 4.21 3.44 5.86 0.00 -0.70 -4.84 105.19 117.54 2a2j n GLY 189 Ca -0.20 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 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 2.07 0.10 -0.02 0.00 -1.26 -0.59 107.32 107.62 2a2j s GLY 190 Ca 0.00 -2.02 0.05 0.00 0.00 0.00 0.00 44.72 42.75 2a2j s GLY 190 CO 0.00 -1.80 -0.12 -0.19 0.00 0.00 0.00 173.10 170.98 2a2j s TYR 191 N -3.33 1.23 -0.10 1.90 2.02 0.73 -2.89 117.35 116.92 2a2j s TYR 191 Ca 0.36 -0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2a2j s TYR 191 Cb 0.09 -0.66 0.03 0.00 -0.40 0.00 0.00 41.96 41.01 2a2j s TYR 191 CO 0.15 0.07 -0.03 0.50 -1.57 0.00 0.00 175.55 174.67 2a2j s ARG 192 N -2.50 1.03 -0.28 -0.62 3.52 -0.16 -1.73 118.95 118.20 2a2j s ARG 192 Ca 0.05 -0.09 -0.27 0.00 -0.13 0.00 0.00 55.73 55.30 2a2j s ARG 192 Cb -0.05 -1.31 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 2a2j s ARG 192 CO 0.02 -0.30 0.95 0.42 -0.81 0.00 0.00 175.30 175.58 2a2j s ILE 193 N 1.84 4.67 0.33 4.11 1.01 0.28 -2.50 121.20 130.95 2a2j s ILE 193 Ca 0.05 1.63 -0.29 0.00 0.00 0.00 0.00 60.65 62.04 2a2j s ILE 193 Cb -0.13 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.97 2a2j s ILE 193 CO -0.07 -0.29 1.38 0.00 0.00 0.00 0.00 174.94 175.97 2a2j s ALA 194 N 3.24 3.54 -0.36 9.38 0.00 -0.71 -2.06 121.76 134.78 2a2j s ALA 194 Ca 0.40 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.68 2a2j s ALA 194 Cb -0.14 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.30 2a2j s ALA 194 CO 0.11 -0.79 2.60 -0.35 0.00 0.00 0.00 175.76 177.34 2a2j n PRO 195 N 0.90 1.79 -0.25 0.00 -0.04 -1.26 -3.53 135.00 132.61 2a2j n PRO 195 Ca 0.01 -1.02 -0.07 0.00 -0.04 0.00 0.00 63.50 62.38 2a2j n PRO 195 Cb 0.41 -2.08 0.05 0.00 -0.04 0.00 0.00 33.50 31.84 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 4.52 1.09 -3.68 0.54 4.81 -1.77 -3.42 114.58 116.67 2a2j h GLU 196 Ca 0.29 -0.23 -0.38 0.00 -0.13 0.00 0.00 59.36 58.90 2a2j h GLU 196 Cb 0.79 -0.16 -0.36 0.00 0.63 0.00 0.00 28.75 29.66 2a2j h GLU 196 CO 0.70 0.94 -0.75 0.42 -0.73 0.00 0.00 179.01 179.59 2a2j s ILE 197 N -5.41 0.22 -0.07 2.32 1.01 -0.59 -4.48 121.20 114.21 2a2j s ILE 197 Ca -0.12 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.68 2a2j s ILE 197 Cb 0.14 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.27 2a2j s ILE 197 CO 0.83 0.19 -0.13 -0.69 0.00 0.00 0.00 174.94 175.15 2a2j s VAL 198 N 1.48 1.21 -0.06 2.92 1.01 -0.96 -0.11 120.40 125.89 2a2j s VAL 198 Ca -0.03 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2a2j s VAL 198 Cb -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2a2j s VAL 198 CO -0.03 0.37 -0.17 -0.70 0.00 0.00 0.00 175.10 174.57 2a2j s GLU 199 N 0.71 1.97 -0.15 2.72 2.12 0.16 -0.55 118.70 125.68 2a2j s GLU 199 Ca -0.14 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.52 2a2j s GLU 199 Cb -0.16 -1.65 -0.04 0.00 0.26 0.00 0.00 34.13 32.55 2a2j s GLU 199 CO 0.03 0.20 0.03 -0.06 -0.54 0.00 0.00 175.26 174.92 2a2j s PHE 200 N 0.20 3.20 -0.18 5.30 0.08 -0.48 -0.94 117.98 125.16 2a2j s PHE 200 Ca -0.08 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.02 2a2j s PHE 200 Cb -0.13 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.38 2a2j s PHE 200 CO 0.03 0.23 -0.10 -0.46 -0.10 0.00 0.00 175.22 174.82 2a2j s TRP 201 N -0.02 2.24 -0.28 0.36 -0.00 0.30 -1.74 118.94 119.80 2a2j s TRP 201 Ca 0.05 -1.43 -0.03 0.00 -0.00 0.00 0.00 56.10 54.69 2a2j s TRP 201 Cb -0.12 -1.57 0.03 0.00 -0.00 0.00 0.00 33.47 31.81 2a2j s TRP 201 CO 0.01 -0.71 -0.01 -1.14 -0.00 0.00 0.00 176.95 175.11 2a2j s GLN 202 N 1.46 2.71 0.66 5.86 0.74 0.79 -1.42 119.66 130.45 2a2j s GLN 202 Ca 0.00 -1.08 -0.14 0.00 0.05 0.00 0.00 55.36 54.19 2a2j s GLN 202 Cb -0.15 -3.13 -0.00 0.00 1.10 0.00 0.00 33.01 30.82 2a2j s GLN 202 CO -0.08 -0.50 1.10 0.20 -0.55 0.00 0.00 175.29 175.45 2a2j s GLY 203 N 1.33 2.08 -0.02 2.59 0.00 0.13 -1.12 107.32 112.30 2a2j s GLY 203 Ca -0.02 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 2a2j s GLY 203 CO -0.02 0.81 0.05 0.50 0.00 0.00 0.00 173.10 174.45 2a2j s ARG 204 N -4.21 0.03 0.57 2.90 1.81 -1.26 -4.36 118.95 114.43 2a2j s ARG 204 Ca 0.65 0.14 0.38 0.00 -1.72 0.00 0.00 55.73 55.19 2a2j s ARG 204 Cb -0.19 -0.09 1.45 0.00 -0.45 0.00 0.00 34.95 35.67 2a2j s ARG 204 CO 0.43 -0.08 1.61 0.93 -0.68 0.00 0.00 175.30 177.50 2a2j h GLU 205 N 6.64 0.00 -0.90 3.54 4.39 -1.95 -0.40 114.58 125.89 2a2j h GLU 205 Ca -0.34 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.86 2a2j h GLU 205 Cb 1.17 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.54 2a2j h GLU 205 CO 0.47 0.00 0.56 0.27 -1.16 0.00 0.00 179.01 179.15 2a2j n ASN 206 N -3.80 4.25 0.00 1.42 0.23 -1.26 -4.88 115.26 111.22 2a2j n ASN 206 Ca 0.30 -3.67 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 2a2j n ASN 206 Cb 1.52 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 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 -1.10 -0.06 -2.89 -3.83 5.12 -0.16 -4.89 116.66 108.85 2a2j n ARG 207 Ca 0.56 0.02 -0.43 0.00 -1.93 0.00 0.00 57.85 56.06 2a2j n ARG 207 Cb 1.40 -4.13 0.00 0.00 -1.16 0.00 0.00 32.46 28.57 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 -1.91 3.85 -2.09 5.56 2.81 -1.26 -4.86 117.12 119.21 2a2j n MET 208 Ca 0.00 -4.13 -0.38 0.00 -1.81 0.00 0.00 57.70 51.38 2a2j n MET 208 Cb 0.02 -2.73 0.00 0.00 -0.71 0.00 0.00 33.22 29.80 2a2j n MET 208 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2a2j s HIS 209 N -0.82 2.75 -0.28 2.03 3.76 -1.26 -4.69 115.29 116.78 2a2j s HIS 209 Ca 0.35 1.46 -0.15 0.00 -0.15 0.00 0.00 55.06 56.57 2a2j s HIS 209 Cb 0.01 -3.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.10 2a2j s HIS 209 CO 0.02 -1.99 0.39 -0.80 -0.85 0.00 0.00 174.74 171.51 2a2j s ASN 210 N -1.04 6.25 -0.24 1.40 -0.87 -0.27 -4.31 114.94 115.87 2a2j s ASN 210 Ca 0.62 0.22 -0.01 0.00 -1.57 0.00 0.00 52.86 52.12 2a2j s ASN 210 Cb -0.35 -2.22 0.07 0.00 -0.02 0.00 0.00 41.25 38.74 2a2j s ASN 210 CO 0.43 -0.23 0.01 -0.13 -2.57 0.00 0.00 177.10 174.61 2a2j s ARG 211 N 2.10 1.08 -0.18 -0.60 0.52 -1.26 -0.15 118.95 120.46 2a2j s ARG 211 Ca 0.15 -0.82 -0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2a2j s ARG 211 Cb -0.16 -2.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 2a2j s ARG 211 CO 0.10 -0.70 -0.10 0.42 0.02 0.00 0.00 175.30 175.05 2a2j s ILE 212 N 1.59 3.05 -0.15 1.52 -1.09 -0.71 -1.35 121.20 124.07 2a2j s ILE 212 Ca -0.01 -0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 2a2j s ILE 212 Cb -0.18 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 2a2j s ILE 212 CO -0.10 0.48 0.05 -0.60 -1.23 0.00 0.00 174.94 173.53 2a2j s ARG 213 N 1.03 3.65 -0.16 2.79 3.52 -0.07 -1.38 118.95 128.33 2a2j s ARG 213 Ca -0.00 -0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2a2j s ARG 213 Cb -0.15 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.14 2a2j s ARG 213 CO -0.02 0.43 -0.07 0.08 -0.81 0.00 0.00 175.30 174.92 2a2j s VAL 214 N -0.10 3.55 -0.29 7.11 1.01 0.29 -1.01 120.40 130.95 2a2j s VAL 214 Ca 0.06 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2a2j s VAL 214 Cb -0.12 -2.55 0.13 0.00 0.00 0.00 0.00 36.38 33.84 2a2j s VAL 214 CO 0.01 0.49 0.82 0.00 0.00 0.00 0.00 175.10 176.43 2a2j s ALA 215 N 0.53 -2.24 -1.35 5.51 0.00 -1.00 -2.28 121.76 120.93 2a2j s ALA 215 Ca -0.05 2.25 -0.08 0.00 0.00 0.00 0.00 51.96 54.08 2a2j s ALA 215 Cb -0.15 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2a2j s ALA 215 CO 0.03 -0.68 1.16 0.09 0.00 0.00 0.00 175.76 176.36 2a2j n ASN 216 N 4.67 -5.89 0.00 0.00 4.13 -1.26 -2.02 115.26 114.89 2a2j n ASN 216 Ca -0.14 -0.56 0.00 0.00 1.68 0.00 0.00 54.58 55.56 2a2j n ASN 216 Cb 0.54 -5.00 0.00 0.00 -1.54 0.00 0.00 39.78 33.78 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 -1.92 0.04 3.77 7.41 0.00 -1.26 -4.96 105.19 108.27 2a2j n GLY 217 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.09 0.03 1.61 1.70 -0.86 -5.09 118.95 119.44 2a2j s ARG 218 Ca 0.00 1.59 0.07 0.00 -0.47 0.00 0.00 55.73 56.92 2a2j s ARG 218 Cb 0.00 -1.97 -0.03 0.00 -0.57 0.00 0.00 34.95 32.38 2a2j s ARG 218 CO 0.00 -1.05 -0.17 -0.51 -1.08 0.00 0.00 175.30 172.48 2a2j s LEU 219 N -4.19 2.63 -0.01 -1.89 1.43 -1.26 -2.38 118.68 113.00 2a2j s LEU 219 Ca 0.72 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2a2j s LEU 219 Cb -0.24 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2a2j s LEU 219 CO 0.33 0.26 0.02 -0.70 0.23 0.00 0.00 176.35 176.49 2a2j s GLU 220 N -1.36 -0.01 -0.09 1.70 2.12 -0.18 -4.97 118.70 115.90 2a2j s GLU 220 Ca 0.14 0.11 -0.18 0.00 0.36 0.00 0.00 54.97 55.41 2a2j s GLU 220 Cb -0.11 -0.16 -0.05 0.00 0.26 0.00 0.00 34.13 34.08 2a2j s GLU 220 CO 0.05 -0.10 0.47 0.50 -0.54 0.00 0.00 175.26 175.64 2a2j s ARG 221 N 0.65 4.27 -0.02 4.30 3.52 -1.26 -0.89 118.95 129.52 2a2j s ARG 221 Ca -0.05 0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.99 2a2j s ARG 221 Cb -0.08 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 2a2j s ARG 221 CO -0.02 0.26 0.08 -0.51 -0.81 0.00 0.00 175.30 174.30 2a2j s LEU 222 N 0.29 3.92 0.31 -0.88 1.43 -0.46 -5.00 118.68 118.29 2a2j s LEU 222 Ca 0.26 0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 2a2j s LEU 222 Cb -0.16 -2.24 -0.12 0.00 0.03 0.00 0.00 46.19 43.71 2a2j s LEU 222 CO 0.11 0.29 1.53 0.00 0.23 0.00 0.00 176.35 178.51 2a2j n GLN 223 N 1.29 2.58 -0.25 1.70 1.13 -1.26 -4.52 117.38 118.05 2a2j n GLN 223 Ca -0.14 0.91 0.03 0.00 -1.94 0.00 0.00 57.00 55.87 2a2j n GLN 223 Cb 0.53 -2.66 0.12 0.00 0.11 0.00 0.00 30.24 28.34 2a2j n GLN 223 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 2a2j h PRO 224 N 4.20 0.06 -1.43 -1.09 0.11 -1.90 0.35 132.00 132.29 2a2j h PRO 224 Ca -0.47 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2a2j h PRO 224 Cb 1.24 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2a2j h PRO 224 CO 0.75 0.04 0.09 0.41 -0.21 0.00 0.00 178.00 179.07 2a2j n GLY 225 N -1.44 2.57 0.70 -0.55 0.00 -1.26 -4.92 105.19 100.29 2a2j n GLY 225 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2a2j n GLY 225 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06