#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwd s GLU 32 N 0.00 1.78 0.00 -2.82 0.41 -1.26 -5.14 118.70 111.67 3jwd s GLU 32 Ca 0.00 -1.99 0.00 0.00 -0.41 0.00 0.00 54.97 52.57 3jwd s GLU 32 Cb 0.00 -1.21 0.00 0.00 -1.78 0.00 0.00 34.13 31.14 3jwd s GLU 32 CO 0.00 -0.12 0.00 1.63 -0.49 0.00 0.00 175.26 176.28 3jwd n LYS 33 N -0.80 0.00 0.00 1.61 5.02 -1.26 -5.14 118.16 117.60 3jwd n LYS 33 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3jwd n LYS 33 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 3jwd n LYS 33 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3jwd n LEU 34 N 0.00 0.00 -4.71 -0.35 7.94 -1.26 -5.04 117.00 113.57 3jwd n LEU 34 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3jwd n LEU 34 Cb 0.00 -0.01 -0.03 0.00 0.53 0.00 0.00 43.42 43.91 3jwd n LEU 34 CO 0.00 -0.12 1.01 0.26 -1.11 0.00 0.00 177.39 177.43 3jwd s TRP 35 N -0.25 3.29 -0.13 1.96 0.52 -1.26 -4.94 118.94 118.14 3jwd s TRP 35 Ca 0.00 1.05 -0.29 0.00 0.02 0.00 0.00 56.10 56.88 3jwd s TRP 35 Cb 0.00 -3.61 -0.05 0.00 -1.15 0.00 0.00 33.47 28.66 3jwd s TRP 35 CO 0.00 -2.07 1.81 0.08 0.02 0.00 0.00 176.95 176.79 3jwd s VAL 36 N 1.11 3.39 0.21 4.03 1.01 -1.26 -4.96 120.40 123.94 3jwd s VAL 36 Ca 0.63 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3jwd s VAL 36 Cb -0.35 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 3jwd s VAL 36 CO 0.30 -0.13 1.20 0.42 0.00 0.00 0.00 175.10 176.88 3jwd s THR 37 N 5.34 3.48 -0.12 3.92 -4.23 -1.26 -5.03 115.64 117.74 3jwd s THR 37 Ca 0.81 1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 62.60 3jwd s THR 37 Cb -0.32 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.67 3jwd s THR 37 CO 0.33 0.23 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.87 3jwd s VAL 38 N -0.28 3.57 -0.28 2.29 1.01 -1.26 -5.10 120.40 120.36 3jwd s VAL 38 Ca 0.51 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 3jwd s VAL 38 Cb -0.33 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3jwd s VAL 38 CO 0.38 0.54 0.25 -0.31 0.00 0.00 0.00 175.10 175.96 3jwd s TYR 39 N -0.02 3.23 -0.12 5.22 1.51 -1.26 -5.08 117.35 120.84 3jwd s TYR 39 Ca -0.01 0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 56.21 3jwd s TYR 39 Cb -0.14 -2.44 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 3jwd s TYR 39 CO 0.03 -0.18 0.11 0.71 -1.11 0.00 0.00 175.55 175.11 3jwd s TYR 40 N 1.86 3.51 -0.71 2.71 1.51 -1.26 -5.06 117.35 119.90 3jwd s TYR 40 Ca 0.10 0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 56.47 3jwd s TYR 40 Cb -0.16 -1.92 0.18 0.00 -0.11 0.00 0.00 41.96 39.96 3jwd s TYR 40 CO 0.11 0.67 0.66 0.20 -1.11 0.00 0.00 175.55 176.07 3jwd s GLY 41 N -0.95 2.44 0.19 0.71 0.00 -1.26 -3.57 107.32 104.89 3jwd s GLY 41 Ca 0.14 -3.02 -0.29 0.00 0.00 0.00 0.00 44.72 41.55 3jwd s GLY 41 CO 0.03 1.23 0.92 0.14 0.00 0.00 0.00 173.10 175.43 3jwd s VAL 42 N 0.72 4.23 0.55 1.40 1.01 -0.06 -4.87 120.40 123.38 3jwd s VAL 42 Ca 0.12 2.03 -0.19 0.00 0.00 0.00 0.00 61.98 63.94 3jwd s VAL 42 Cb -0.18 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 3jwd s VAL 42 CO -0.04 0.45 1.09 -2.16 0.00 0.00 0.00 175.10 174.44 3jwd s PRO 43 N -0.85 3.42 -0.04 2.72 0.04 -1.26 -0.73 135.00 138.30 3jwd s PRO 43 Ca 0.42 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.92 3jwd s PRO 43 Cb -0.25 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.29 3jwd s PRO 43 CO 0.31 -0.76 -0.02 0.08 0.04 0.00 0.00 177.00 176.64 3jwd s VAL 44 N -2.00 0.34 0.29 -0.36 1.01 -1.26 -4.76 120.40 113.66 3jwd s VAL 44 Ca 0.69 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.69 3jwd s VAL 44 Cb -0.20 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 3jwd s VAL 44 CO 0.28 0.18 0.15 -1.66 0.00 0.00 0.00 175.10 174.06 3jwd s TRP 45 N 0.98 1.55 -0.16 5.22 -2.14 -1.26 -1.56 118.94 121.57 3jwd s TRP 45 Ca -0.10 -1.36 -0.19 0.00 2.66 0.00 0.00 56.10 57.11 3jwd s TRP 45 Cb -0.14 -0.82 0.05 0.00 -3.10 0.00 0.00 33.47 29.46 3jwd s TRP 45 CO -0.01 -0.53 0.51 -1.59 -2.66 0.00 0.00 176.95 172.67 3jwd s LYS 46 N -3.87 0.65 0.17 3.25 -2.85 0.08 -4.96 119.74 112.21 3jwd s LYS 46 Ca 0.37 0.59 -0.33 0.00 -1.00 0.00 0.00 55.97 55.60 3jwd s LYS 46 Cb 0.05 0.31 -0.16 0.00 -2.06 0.00 0.00 37.83 35.98 3jwd s LYS 46 CO 0.17 -0.10 1.07 0.39 0.10 0.00 0.00 175.35 176.98 3jwd n GLU 47 N 2.50 0.93 -3.89 1.78 1.02 -1.26 0.14 120.64 121.85 3jwd n GLU 47 Ca -0.15 0.33 -0.09 0.00 -0.02 0.00 0.00 57.16 57.23 3jwd n GLU 47 Cb 0.56 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3jwd n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3jwd s ALA 48 N -0.33 -0.52 -0.02 0.62 0.00 -1.23 -4.69 121.76 115.59 3jwd s ALA 48 Ca 0.73 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.90 3jwd s ALA 48 Cb -0.89 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3jwd s ALA 48 CO 0.54 -0.95 -0.03 0.99 0.00 0.00 0.00 175.76 176.30 3jwd s THR 49 N -2.99 0.38 0.15 0.00 2.01 -1.26 -4.60 115.64 109.33 3jwd s THR 49 Ca 0.18 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 3jwd s THR 49 Cb -0.04 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.10 3jwd s THR 49 CO 0.12 0.16 0.44 0.28 -0.69 0.00 0.00 174.62 174.92 3jwd s THR 50 N 0.56 0.05 -0.30 -0.82 -1.32 -1.26 -5.12 115.64 107.43 3jwd s THR 50 Ca -0.06 -0.68 -0.29 0.00 -1.21 0.00 0.00 61.69 59.45 3jwd s THR 50 Cb -0.10 -1.34 -0.00 0.00 -1.51 0.00 0.00 72.50 69.55 3jwd s THR 50 CO -0.00 -0.24 1.37 0.42 -2.21 0.00 0.00 174.62 173.95 3jwd s THR 51 N -3.84 4.03 0.49 5.08 -4.23 -1.26 -5.02 115.64 110.90 3jwd s THR 51 Ca 0.06 1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 61.64 3jwd s THR 51 Cb 0.01 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.72 3jwd s THR 51 CO -0.08 -0.48 0.83 -0.76 -0.54 0.00 0.00 174.62 173.59 3jwd s LEU 52 N 4.67 3.59 0.00 4.79 1.02 -1.26 -4.72 118.68 126.78 3jwd s LEU 52 Ca 0.60 1.08 0.05 0.00 0.02 0.00 0.00 54.13 55.88 3jwd s LEU 52 Cb -0.18 -4.04 0.05 0.00 0.02 0.00 0.00 46.19 42.05 3jwd s LEU 52 CO 0.25 -0.60 0.43 2.22 0.02 0.00 0.00 176.35 178.68 3jwd n PHE 53 N -2.13 -1.46 -4.04 0.29 -1.74 -0.99 -4.92 117.46 102.47 3jwd n PHE 53 Ca 0.02 -1.70 -0.08 0.00 -0.56 0.00 0.00 57.45 55.13 3jwd n PHE 53 Cb 0.55 -0.37 -0.10 0.00 1.52 0.00 0.00 39.48 41.08 3jwd n PHE 53 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3jwd s ALA 55 N -3.32 0.66 0.10 0.00 0.00 0.24 -1.01 121.76 118.42 3jwd s ALA 55 Ca 0.01 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 3jwd s ALA 55 Cb 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3jwd s ALA 55 CO -0.08 0.12 0.28 -1.54 0.00 0.00 0.00 175.76 174.54 3jwd s SER 56 N -0.57 -0.03 -0.40 0.00 1.04 -0.45 -1.10 113.70 112.20 3jwd s SER 56 Ca 0.00 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 3jwd s SER 56 Cb -0.05 0.39 0.30 0.00 0.10 0.00 0.00 66.02 66.76 3jwd s SER 56 CO 0.00 -0.76 1.96 0.47 0.98 0.00 0.00 173.24 175.89 3jwd n ASP 57 N -0.07 6.36 -4.74 7.02 8.00 -1.26 -4.18 116.55 127.68 3jwd n ASP 57 Ca -0.16 -3.23 -0.34 0.00 0.71 0.00 0.00 54.79 51.78 3jwd n ASP 57 Cb 0.63 -0.99 0.07 0.00 -0.02 0.00 0.00 41.12 40.80 3jwd n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jwd s ALA 58 N -2.32 2.29 -0.10 2.24 0.00 -1.26 -5.04 121.76 117.57 3jwd s ALA 58 Ca 0.39 0.75 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3jwd s ALA 58 Cb 0.31 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 3jwd s ALA 58 CO 0.00 -1.58 -0.16 0.15 0.00 0.00 0.00 175.76 174.18 3jwd s LYS 59 N -3.93 3.11 0.00 0.00 1.02 -1.26 -4.96 119.74 113.71 3jwd s LYS 59 Ca 0.72 -0.73 0.24 0.00 0.02 0.00 0.00 55.97 56.21 3jwd s LYS 59 Cb -0.26 -2.50 1.45 0.00 -0.52 0.00 0.00 37.83 36.01 3jwd s LYS 59 CO 0.43 0.30 1.86 0.00 -0.92 0.00 0.00 175.35 177.01 3jwd n ALA 60 N 3.25 2.51 0.47 5.17 0.00 -1.26 -2.67 120.51 127.98 3jwd n ALA 60 Ca -0.18 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.16 3jwd n ALA 60 Cb 0.53 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 3jwd n ALA 60 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3jwd n TYR 61 N -0.94 0.00 -3.15 0.00 4.11 -1.26 -4.96 117.16 110.96 3jwd n TYR 61 Ca 0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.69 3jwd n TYR 61 Cb 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.37 3jwd n TYR 61 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3jwd s ASP 62 N -1.72 6.82 -0.06 9.48 -1.08 -1.09 -4.96 116.67 124.07 3jwd s ASP 62 Ca 0.06 0.99 0.17 0.00 -0.52 0.00 0.00 52.55 53.25 3jwd s ASP 62 Cb 0.08 -2.36 0.58 0.00 -1.46 0.00 0.00 42.92 39.76 3jwd s ASP 62 CO 0.35 -0.11 1.47 0.35 0.52 0.00 0.00 175.17 177.75 3jwd n THR 63 N 3.92 1.24 -2.79 1.71 -2.24 -1.26 -4.30 114.28 110.57 3jwd n THR 63 Ca -0.03 -0.91 -0.34 0.00 -2.27 0.00 0.00 64.05 60.50 3jwd n THR 63 Cb 0.51 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 3jwd n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3jwd s GLU 64 N -1.56 4.24 0.19 -0.78 4.04 -1.26 -4.81 118.70 118.76 3jwd s GLU 64 Ca 0.42 1.17 -0.12 0.00 0.04 0.00 0.00 54.97 56.47 3jwd s GLU 64 Cb 0.25 -2.26 0.12 0.00 0.02 0.00 0.00 34.13 32.27 3jwd s GLU 64 CO 0.23 -0.02 1.83 -0.39 -1.84 0.00 0.00 175.26 175.07 3jwd h VAL 65 N 1.98 1.08 -0.13 1.83 -1.51 -1.90 -0.94 116.25 116.66 3jwd h VAL 65 Ca -0.49 -0.25 -0.00 0.00 -1.23 0.00 0.00 66.70 64.74 3jwd h VAL 65 Cb 1.18 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 3jwd h VAL 65 CO 0.61 0.13 0.08 0.45 -1.23 0.00 0.00 177.57 177.61 3jwd h HIS 66 N 0.72 0.18 -0.79 5.19 3.86 -1.87 0.68 115.15 123.12 3jwd h HIS 66 Ca 0.23 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3jwd h HIS 66 Cb -0.00 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 3jwd h HIS 66 CO -0.05 0.16 0.51 -0.91 0.86 0.00 0.00 177.93 178.49 3jwd h ASN 67 N 0.15 0.91 -0.43 2.45 2.35 -1.81 0.95 115.58 120.16 3jwd h ASN 67 Ca 0.05 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3jwd h ASN 67 Cb 0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3jwd h ASN 67 CO -0.01 0.68 0.20 0.58 -1.65 0.00 0.00 177.43 177.23 3jwd h VAL 68 N 1.07 1.18 -0.05 2.81 2.07 -0.87 -1.15 116.25 121.31 3jwd h VAL 68 Ca 0.29 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3jwd h VAL 68 Cb -0.10 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3jwd h VAL 68 CO -0.06 0.20 -0.03 -0.25 0.02 0.00 0.00 177.57 177.45 3jwd h TRP 69 N 0.55 0.13 -0.69 1.57 7.01 -0.61 -2.89 115.95 121.02 3jwd h TRP 69 Ca 0.15 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.16 3jwd h TRP 69 Cb 0.12 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.10 3jwd h TRP 69 CO -0.01 0.51 0.41 0.00 -2.79 0.00 0.00 178.44 176.56 3jwd h ALA 70 N 0.60 0.92 -0.91 2.65 0.00 -0.78 -1.25 119.26 120.49 3jwd h ALA 70 Ca 0.01 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3jwd h ALA 70 Cb 0.48 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3jwd h ALA 70 CO 0.01 0.13 0.60 1.15 0.00 0.00 0.00 179.25 181.14 3jwd h THR 71 N 0.77 1.13 0.00 0.00 2.02 -1.22 0.28 112.91 115.89 3jwd h THR 71 Ca 0.30 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3jwd h THR 71 Cb 0.12 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3jwd h THR 71 CO -0.15 0.20 -0.07 1.57 0.37 0.00 0.00 175.52 177.44 3jwd n HIS 72 N -4.46 0.62 -1.38 3.16 -0.00 -0.55 -4.16 115.22 108.45 3jwd n HIS 72 Ca 0.13 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 3jwd n HIS 72 Cb 0.13 -0.78 0.00 0.00 -0.00 0.00 0.00 29.99 29.34 3jwd n HIS 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3jwd n ALA 73 N -1.70 1.42 -4.41 1.57 0.00 -0.75 -5.10 120.51 111.55 3jwd n ALA 73 Ca 0.06 -0.73 -0.26 0.00 0.00 0.00 0.00 53.44 52.51 3jwd n ALA 73 Cb 0.40 -0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.58 3jwd n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jwd s VAL 75 N -3.21 2.11 1.11 0.00 1.01 -0.18 -4.88 120.40 116.36 3jwd s VAL 75 Ca 0.28 -1.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 3jwd s VAL 75 Cb 0.01 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.60 3jwd s VAL 75 CO 0.20 0.05 -0.07 -2.65 0.00 0.00 0.00 175.10 172.63 3jwd n PRO 76 N 0.96 -1.46 0.00 2.72 -0.02 -1.26 -1.34 135.00 134.59 3jwd n PRO 76 Ca -0.18 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 3jwd n PRO 76 Cb 0.53 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 3jwd n PRO 76 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3jwd n THR 77 N -4.34 0.00 0.00 3.45 -1.04 -1.26 -4.57 114.28 106.52 3jwd n THR 77 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3jwd n THR 77 Cb 0.63 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 3jwd n THR 77 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3jwd n ASP 78 N 0.00 0.00 -0.18 8.00 8.00 -1.26 -4.98 116.55 126.13 3jwd n ASP 78 Ca 0.00 0.77 0.11 0.00 0.71 0.00 0.00 54.79 56.38 3jwd n ASP 78 Cb 0.00 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 40.73 3jwd n ASP 78 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3jwd n PRO 79 N -1.64 0.46 -3.89 -0.24 -0.05 -1.26 -4.84 135.00 123.54 3jwd n PRO 79 Ca 0.00 -0.36 -0.30 0.00 -0.05 0.00 0.00 63.50 62.79 3jwd n PRO 79 Cb 0.00 -1.49 -0.12 0.00 -0.05 0.00 0.00 33.50 31.83 3jwd n PRO 79 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3jwd s ASN 80 N -2.79 4.72 0.31 3.54 0.01 -1.26 -5.10 114.94 114.37 3jwd s ASN 80 Ca 0.13 -3.44 -0.29 0.00 -0.71 0.00 0.00 52.86 48.55 3jwd s ASN 80 Cb 0.17 -1.67 -0.10 0.00 0.41 0.00 0.00 41.25 40.06 3jwd s ASN 80 CO 0.72 -0.17 1.18 -2.84 -1.51 0.00 0.00 177.10 174.49 3jwd s PRO 81 N -0.88 4.48 0.02 -0.60 0.02 -1.26 -5.05 135.00 131.72 3jwd s PRO 81 Ca 0.21 1.96 0.01 0.00 0.02 0.00 0.00 61.00 63.20 3jwd s PRO 81 Cb -0.15 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 3jwd s PRO 81 CO -0.09 0.01 -0.04 -0.65 -0.33 0.00 0.00 177.00 175.90 3jwd s GLN 82 N -1.66 0.34 0.18 5.54 -0.21 -1.26 -5.17 119.66 117.41 3jwd s GLN 82 Ca 0.47 -0.57 0.10 0.00 0.02 0.00 0.00 55.36 55.39 3jwd s GLN 82 Cb -0.35 -0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 3jwd s GLN 82 CO 0.45 -0.01 -0.19 -1.83 -2.12 0.00 0.00 175.29 171.59 3jwd s GLU 83 N -1.29 1.71 -0.76 2.91 -1.05 -1.26 -4.69 118.70 114.26 3jwd s GLU 83 Ca -0.12 -1.39 -0.15 0.00 -0.15 0.00 0.00 54.97 53.16 3jwd s GLU 83 Cb -0.09 -1.98 0.19 0.00 -0.44 0.00 0.00 34.13 31.81 3jwd s GLU 83 CO -0.01 0.42 0.72 0.08 0.95 0.00 0.00 175.26 177.43 3jwd s VAL 84 N -1.58 5.46 0.20 1.83 1.01 -0.61 -4.87 120.40 121.84 3jwd s VAL 84 Ca 0.21 -2.17 -0.32 0.00 0.00 0.00 0.00 61.98 59.70 3jwd s VAL 84 Cb -0.09 -4.46 -0.14 0.00 0.00 0.00 0.00 36.38 31.70 3jwd s VAL 84 CO 0.11 -1.02 1.44 0.52 0.00 0.00 0.00 175.10 176.16 3jwd n VAL 85 N 4.37 0.61 -3.70 2.92 0.31 -1.26 -2.01 118.33 119.57 3jwd n VAL 85 Ca 0.07 -0.15 -0.38 0.00 -0.01 0.00 0.00 64.34 63.87 3jwd n VAL 85 Cb 0.45 -1.43 -0.11 0.00 -0.91 0.00 0.00 33.84 31.85 3jwd n VAL 85 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3jwd s LEU 86 N 0.39 5.27 0.36 7.52 1.43 -1.22 -4.95 118.68 127.48 3jwd s LEU 86 Ca 0.72 -1.89 -0.28 0.00 -1.03 0.00 0.00 54.13 51.65 3jwd s LEU 86 Cb -0.68 -1.89 -0.11 0.00 0.03 0.00 0.00 46.19 43.54 3jwd s LEU 86 CO 0.46 -0.57 1.50 0.68 0.23 0.00 0.00 176.35 178.65 3jwd s VAL 87 N 1.24 2.09 -1.58 -1.59 -7.23 -1.26 -3.15 120.40 108.92 3jwd s VAL 87 Ca 0.06 0.09 -0.09 0.00 -1.81 0.00 0.00 61.98 60.23 3jwd s VAL 87 Cb -0.24 -3.05 0.08 0.00 0.56 0.00 0.00 36.38 33.73 3jwd s VAL 87 CO -0.02 0.02 0.51 0.59 -0.31 0.00 0.00 175.10 175.88 3jwd n ASN 88 N 0.78 -1.37 -4.33 4.85 3.02 -1.26 -4.96 115.26 111.99 3jwd n ASN 88 Ca 0.02 -1.07 -0.32 0.00 -0.03 0.00 0.00 54.58 53.18 3jwd n ASN 88 Cb 0.39 -2.60 -0.15 0.00 -0.61 0.00 0.00 39.78 36.81 3jwd n ASN 88 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jwd s VAL 89 N -3.72 2.53 -0.08 2.41 1.01 -1.19 -5.13 120.40 116.24 3jwd s VAL 89 Ca 0.35 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3jwd s VAL 89 Cb -0.19 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3jwd s VAL 89 CO 0.93 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 175.53 3jwd s THR 90 N -0.02 2.79 0.01 3.92 2.01 -1.26 -3.95 115.64 119.14 3jwd s THR 90 Ca -0.06 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.16 3jwd s THR 90 Cb -0.15 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 3jwd s THR 90 CO 0.05 0.56 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.79 3jwd s GLU 91 N -0.16 0.33 -0.12 4.92 2.56 -0.68 -4.94 118.70 120.61 3jwd s GLU 91 Ca -0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 54.97 54.45 3jwd s GLU 91 Cb -0.14 -0.17 -0.05 0.00 2.00 0.00 0.00 34.13 35.77 3jwd s GLU 91 CO 0.03 0.03 0.24 -0.80 -0.56 0.00 0.00 175.26 174.21 3jwd s ASN 92 N -0.78 6.45 0.42 -1.70 0.01 -1.26 0.10 114.94 118.19 3jwd s ASN 92 Ca -0.06 0.53 0.07 0.00 -0.71 0.00 0.00 52.86 52.70 3jwd s ASN 92 Cb -0.05 -2.14 -0.06 0.00 0.41 0.00 0.00 41.25 39.41 3jwd s ASN 92 CO -0.00 0.26 0.13 -0.36 -1.51 0.00 0.00 177.10 175.61 3jwd s PHE 93 N -0.33 2.51 -0.44 2.20 0.08 -0.20 -4.94 117.98 116.86 3jwd s PHE 93 Ca 0.16 -0.64 0.04 0.00 0.12 0.00 0.00 56.93 56.61 3jwd s PHE 93 Cb -0.13 -1.89 0.19 0.00 -0.57 0.00 0.00 43.02 40.62 3jwd s PHE 93 CO 0.05 0.25 0.76 1.21 -0.10 0.00 0.00 175.22 177.38 3jwd s ASN 94 N -3.86 -1.26 0.53 1.36 2.47 -1.15 -2.50 114.94 110.54 3jwd s ASN 94 Ca 0.37 -1.11 0.24 0.00 0.42 0.00 0.00 52.86 52.78 3jwd s ASN 94 Cb 0.05 1.63 1.38 0.00 -1.45 0.00 0.00 41.25 42.86 3jwd s ASN 94 CO 0.20 -0.09 2.03 0.00 -3.72 0.00 0.00 177.10 175.52 3jwd h MET 95 N 5.66 0.00 -0.02 0.43 -0.00 -1.55 -0.68 114.93 118.76 3jwd h MET 95 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 3jwd h MET 95 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.75 3jwd h MET 95 CO 0.02 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.84 3jwd n TRP 96 N -4.39 0.02 -2.69 -0.10 7.02 -1.26 -3.27 117.44 112.77 3jwd n TRP 96 Ca 0.07 -0.01 -0.07 0.00 -1.02 0.00 0.00 57.50 56.47 3jwd n TRP 96 Cb 0.51 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.45 3jwd n TRP 96 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 3jwd n LYS 97 N -0.69 1.22 -3.55 -0.99 4.81 -0.27 -5.07 118.16 113.63 3jwd n LYS 97 Ca 0.19 -2.91 -0.41 0.00 -0.87 0.00 0.00 58.31 54.30 3jwd n LYS 97 Cb 0.13 -0.97 -0.10 0.00 0.02 0.00 0.00 35.03 34.11 3jwd n LYS 97 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3jwd s ASN 98 N -2.73 5.83 0.00 3.14 2.47 -1.18 -4.92 114.94 117.55 3jwd s ASN 98 Ca 0.25 -1.13 0.08 0.00 0.42 0.00 0.00 52.86 52.48 3jwd s ASN 98 Cb 0.43 -2.06 0.46 0.00 -1.45 0.00 0.00 41.25 38.64 3jwd s ASN 98 CO -0.00 -0.46 0.89 -0.67 -3.72 0.00 0.00 177.10 173.13 3jwd n ASP 99 N 5.03 0.00 0.07 -4.21 2.03 -1.26 -1.23 116.55 116.98 3jwd n ASP 99 Ca -0.11 -0.59 -0.16 0.00 0.52 0.00 0.00 54.79 54.45 3jwd n ASP 99 Cb 0.45 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.78 3jwd n ASP 99 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3jwd h MET 100 N 0.00 0.47 0.29 -0.67 2.86 -1.97 -3.24 114.93 112.67 3jwd h MET 100 Ca 0.00 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 3jwd h MET 100 Cb 0.00 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3jwd h MET 100 CO 0.00 1.18 -0.14 0.28 1.06 0.00 0.00 176.91 179.29 3jwd h VAL 101 N 0.25 0.73 -0.92 -2.22 2.07 -1.54 -1.96 116.25 112.65 3jwd h VAL 101 Ca -0.10 -0.13 0.19 0.00 0.82 0.00 0.00 66.70 67.48 3jwd h VAL 101 Cb 1.66 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 3jwd h VAL 101 CO 0.18 0.03 0.60 -0.33 0.02 0.00 0.00 177.57 178.07 3jwd h GLU 102 N -0.45 0.51 -0.03 1.57 3.07 -1.67 0.63 114.58 118.22 3jwd h GLU 102 Ca -0.04 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 58.54 3jwd h GLU 102 Cb 0.34 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3jwd h GLU 102 CO 0.06 0.34 -0.96 1.96 -1.40 0.00 0.00 179.01 179.01 3jwd h GLN 103 N 0.53 0.62 -0.38 2.33 4.20 -1.53 -2.83 115.11 118.05 3jwd h GLN 103 Ca 0.49 -0.63 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 3jwd h GLN 103 Cb 1.05 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3jwd h GLN 103 CO -0.22 1.24 -0.15 1.98 -0.67 0.00 0.00 178.83 181.01 3jwd h MET 104 N 0.37 0.77 -0.33 1.46 4.05 -0.46 -2.66 114.93 118.12 3jwd h MET 104 Ca -0.10 -0.32 0.07 0.00 -0.28 0.00 0.00 59.70 59.06 3jwd h MET 104 Cb 1.60 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 32.31 3jwd h MET 104 CO 0.18 0.94 -0.07 1.25 0.23 0.00 0.00 176.91 179.44 3jwd h HIS 105 N 0.57 -0.15 -0.02 1.39 -0.00 -0.97 -0.83 115.15 115.13 3jwd h HIS 105 Ca 0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3jwd h HIS 105 Cb 0.69 0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.21 3jwd h HIS 105 CO 0.06 -0.13 -0.05 0.93 -0.00 0.00 0.00 177.93 178.73 3jwd h GLU 106 N 0.01 0.03 -0.06 5.26 4.39 -1.39 -1.09 114.58 121.73 3jwd h GLU 106 Ca 0.16 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 3jwd h GLU 106 Cb 0.24 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3jwd h GLU 106 CO -0.33 0.08 -0.42 -0.44 -1.16 0.00 0.00 179.01 176.74 3jwd h ASP 107 N 0.03 0.47 -0.32 1.42 5.19 -0.88 -0.90 116.42 121.42 3jwd h ASP 107 Ca 0.01 -0.68 -0.07 0.00 -0.62 0.00 0.00 57.03 55.66 3jwd h ASP 107 Cb 0.11 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 3jwd h ASP 107 CO 0.01 1.08 -0.04 0.40 -3.12 0.00 0.00 179.24 177.57 3jwd h ILE 108 N -0.10 1.24 0.25 0.35 1.08 -0.89 0.69 117.51 120.12 3jwd h ILE 108 Ca -0.04 -1.01 -0.01 0.00 -0.39 0.00 0.00 64.86 63.42 3jwd h ILE 108 Cb 1.09 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 3jwd h ILE 108 CO 0.09 0.35 -0.12 0.40 -0.69 0.00 0.00 178.15 178.17 3jwd h ILE 109 N 0.65 0.78 0.00 -0.67 2.04 -1.23 -2.23 117.51 116.86 3jwd h ILE 109 Ca 0.13 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3jwd h ILE 109 Cb 0.47 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3jwd h ILE 109 CO 0.02 0.04 0.02 -1.28 0.00 0.00 0.00 178.15 176.95 3jwd h SER 110 N -0.42 0.00 0.04 1.72 0.87 -0.67 -1.91 113.55 113.19 3jwd h SER 110 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3jwd h SER 110 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3jwd h SER 110 CO 0.06 0.00 -0.02 0.25 -0.53 0.00 0.00 176.83 176.58 3jwd h LEU 111 N 0.00 -0.05 -1.84 2.23 5.85 -0.49 -3.32 115.31 117.69 3jwd h LEU 111 Ca 0.00 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 3jwd h LEU 111 Cb 0.04 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3jwd h LEU 111 CO 0.00 0.69 -0.09 -0.50 -0.34 0.00 0.00 178.44 178.20 3jwd h TRP 112 N -0.89 0.00 -0.54 1.25 4.06 -0.78 -1.09 115.95 117.96 3jwd h TRP 112 Ca -0.01 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.96 3jwd h TRP 112 Cb 0.66 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.79 3jwd h TRP 112 CO 0.16 0.09 0.34 -0.44 -3.56 0.00 0.00 178.44 175.03 3jwd h ASP 113 N 0.00 0.58 0.28 -3.49 3.32 -1.50 -2.16 116.42 113.45 3jwd h ASP 113 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3jwd h ASP 113 Cb 0.15 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3jwd h ASP 113 CO 0.01 0.41 -0.58 0.00 -1.72 0.00 0.00 179.24 177.37 3jwd n GLN 114 N -4.74 0.27 0.00 3.56 10.64 -1.02 -4.73 117.38 121.37 3jwd n GLN 114 Ca 0.04 -0.18 0.00 0.00 -1.83 0.00 0.00 57.00 55.02 3jwd n GLN 114 Cb 0.05 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.93 3jwd n GLN 114 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3jwd n SER 115 N -1.21 0.00 -4.56 2.61 7.64 -0.44 -4.85 113.62 112.81 3jwd n SER 115 Ca 0.07 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 3jwd n SER 115 Cb 0.35 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 3jwd n SER 115 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3jwd s LEU 116 N -1.60 3.29 -0.33 -3.43 1.43 -0.84 -4.95 118.68 112.25 3jwd s LEU 116 Ca 0.00 -0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 51.86 3jwd s LEU 116 Cb 0.00 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.67 3jwd s LEU 116 CO 0.00 -2.27 1.00 -0.54 0.23 0.00 0.00 176.35 174.77 3jwd s LYS 117 N 6.23 4.01 0.69 1.70 -0.14 -1.26 -4.79 119.74 126.18 3jwd s LYS 117 Ca 0.61 0.90 -0.11 0.00 -1.36 0.00 0.00 55.97 56.01 3jwd s LYS 117 Cb -0.04 -3.75 0.02 0.00 -1.68 0.00 0.00 37.83 32.38 3jwd s LYS 117 CO -0.04 -0.88 1.07 -1.25 -0.76 0.00 0.00 175.35 173.49 3jwd s PRO 118 N 3.52 2.81 0.04 -1.68 0.04 -1.26 -4.50 135.00 133.97 3jwd s PRO 118 Ca 0.42 0.36 -0.06 0.00 0.04 0.00 0.00 61.00 61.76 3jwd s PRO 118 Cb -0.12 -2.06 -0.29 0.00 0.04 0.00 0.00 34.50 32.07 3jwd s PRO 118 CO 0.16 -1.02 1.01 0.00 0.04 0.00 0.00 177.00 177.19 3jwd s VAL 120 N -2.63 0.80 -0.20 0.00 1.01 -1.01 -2.13 120.40 116.24 3jwd s VAL 120 Ca -0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3jwd s VAL 120 Cb 0.06 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.81 3jwd s VAL 120 CO 0.88 0.16 0.00 -0.75 0.00 0.00 0.00 175.10 175.39 3jwd s LYS 121 N -0.41 1.01 -0.38 2.72 2.20 -0.53 -1.74 119.74 122.61 3jwd s LYS 121 Ca 0.03 -0.60 -0.12 0.00 -0.36 0.00 0.00 55.97 54.92 3jwd s LYS 121 Cb -0.05 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 34.06 3jwd s LYS 121 CO -0.00 -0.61 0.24 -0.51 -0.36 0.00 0.00 175.35 174.11 3jwd s LEU 122 N 1.70 4.79 -0.16 5.43 1.43 -0.51 -1.98 118.68 129.39 3jwd s LEU 122 Ca -0.02 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.15 3jwd s LEU 122 Cb -0.17 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.05 3jwd s LEU 122 CO -0.07 -0.38 0.27 0.42 0.23 0.00 0.00 176.35 176.81 3jwd s THR 123 N 1.61 -0.42 -1.00 5.49 -4.23 -0.59 -1.81 115.64 114.70 3jwd s THR 123 Ca 0.04 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3jwd s THR 123 Cb -0.19 -0.54 -0.03 0.00 1.34 0.00 0.00 72.50 73.09 3jwd s THR 123 CO 0.08 0.02 0.85 0.61 -0.54 0.00 0.00 174.62 175.64 3jwd n GLY 124 N 5.35 -0.58 2.88 3.99 0.00 -1.26 -2.35 105.19 113.21 3jwd n GLY 124 Ca -0.06 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3jwd n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwd n GLY 198 N -1.18 0.21 3.52 -0.02 0.00 -1.26 -4.96 105.19 101.48 3jwd n GLY 198 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3jwd n GLY 198 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jwd s SER 199 N -2.07 4.29 -0.05 1.61 0.15 -0.99 -5.12 113.70 111.51 3jwd s SER 199 Ca 0.00 -0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.57 3jwd s SER 199 Cb 0.00 -1.01 -0.00 0.00 -1.71 0.00 0.00 66.02 63.29 3jwd s SER 199 CO 0.00 0.35 -0.20 -0.69 1.20 0.00 0.00 173.24 173.89 3jwd s VAL 200 N -0.72 1.67 0.02 4.45 1.01 -1.26 -1.54 120.40 124.02 3jwd s VAL 200 Ca 0.11 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3jwd s VAL 200 Cb -0.11 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3jwd s VAL 200 CO 0.01 0.47 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 3jwd s ILE 201 N 0.01 1.05 -0.02 2.22 1.01 -0.84 -4.97 121.20 119.65 3jwd s ILE 201 Ca -0.05 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3jwd s ILE 201 Cb -0.13 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3jwd s ILE 201 CO 0.03 0.13 -0.16 0.42 0.00 0.00 0.00 174.94 175.37 3jwd s THR 202 N -0.59 1.24 0.26 2.92 -4.23 -1.26 -1.46 115.64 112.52 3jwd s THR 202 Ca 0.03 -0.66 -0.20 0.00 -1.18 0.00 0.00 61.69 59.68 3jwd s THR 202 Cb -0.06 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.75 3jwd s THR 202 CO 0.00 0.36 0.68 0.00 -0.54 0.00 0.00 174.62 175.11 3jwd s GLN 203 N -0.25 1.69 0.61 3.99 -2.07 -0.90 -5.03 119.66 117.69 3jwd s GLN 203 Ca 0.04 -0.94 -0.18 0.00 -1.82 0.00 0.00 55.36 52.45 3jwd s GLN 203 Cb -0.07 0.59 -0.02 0.00 -1.09 0.00 0.00 33.01 32.41 3jwd s GLN 203 CO -0.00 -0.76 1.22 0.00 -1.32 0.00 0.00 175.29 174.43 3jwd s ALA 204 N -3.91 2.48 -0.41 2.60 0.00 -1.26 -4.45 121.76 116.81 3jwd s ALA 204 Ca 0.11 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.14 3jwd s ALA 204 Cb -0.05 -3.47 0.17 0.00 0.00 0.00 0.00 23.12 19.77 3jwd s ALA 204 CO 0.04 -1.30 0.36 0.00 0.00 0.00 0.00 175.76 174.85 3jwd s PRO 206 N 0.07 4.50 0.20 0.00 0.02 -1.26 -4.74 135.00 133.79 3jwd s PRO 206 Ca 0.33 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.87 3jwd s PRO 206 Cb 0.04 -3.27 -0.09 0.00 0.02 0.00 0.00 34.50 31.20 3jwd s PRO 206 CO -0.19 -0.09 1.35 0.15 -0.33 0.00 0.00 177.00 177.88 3jwd s LYS 207 N -0.01 4.36 0.02 5.54 -0.14 -1.26 -4.81 119.74 123.43 3jwd s LYS 207 Ca 0.53 2.11 0.01 0.00 -1.36 0.00 0.00 55.97 57.27 3jwd s LYS 207 Cb -0.31 -3.18 -0.01 0.00 -1.68 0.00 0.00 37.83 32.64 3jwd s LYS 207 CO 0.35 -0.31 -0.05 0.54 -0.76 0.00 0.00 175.35 175.12 3jwd s VAL 208 N 0.18 0.34 0.31 3.17 0.11 -1.26 -5.13 120.40 118.13 3jwd s VAL 208 Ca 0.58 -0.64 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 3jwd s VAL 208 Cb -0.38 -0.38 -0.11 0.00 -1.53 0.00 0.00 36.38 33.98 3jwd s VAL 208 CO 0.38 -0.21 1.58 -0.44 -3.33 0.00 0.00 175.10 173.09 3jwd s SER 209 N -0.91 6.35 -0.32 3.54 0.01 -1.26 -4.57 113.70 116.54 3jwd s SER 209 Ca -0.06 2.99 0.00 0.00 1.31 0.00 0.00 55.95 60.19 3jwd s SER 209 Cb -0.06 -2.64 0.14 0.00 0.21 0.00 0.00 66.02 63.66 3jwd s SER 209 CO -0.00 -0.92 0.27 0.12 0.41 0.00 0.00 173.24 173.12 3jwd s PHE 210 N -0.26 -0.06 -0.07 2.43 5.36 -1.26 -3.13 117.98 120.98 3jwd s PHE 210 Ca 0.61 -0.76 -0.02 0.00 -0.96 0.00 0.00 56.93 55.80 3jwd s PHE 210 Cb -0.48 -0.61 0.04 0.00 -0.34 0.00 0.00 43.02 41.63 3jwd s PHE 210 CO 0.52 -0.90 0.05 -2.00 -1.46 0.00 0.00 175.22 171.43 3jwd s GLU 211 N 1.80 0.10 0.30 10.12 2.12 -1.26 -3.76 118.70 128.12 3jwd s GLU 211 Ca 0.13 0.23 -0.29 0.00 0.36 0.00 0.00 54.97 55.40 3jwd s GLU 211 Cb -0.16 -0.86 -0.13 0.00 0.26 0.00 0.00 34.13 33.24 3jwd s GLU 211 CO -0.19 -0.39 1.37 -2.30 -0.54 0.00 0.00 175.26 173.21 3jwd n PRO 212 N 5.26 2.16 -5.15 4.30 -0.02 -1.26 -4.69 135.00 135.59 3jwd n PRO 212 Ca -0.05 0.76 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 3jwd n PRO 212 Cb 0.50 -2.39 -0.16 0.00 -0.02 0.00 0.00 33.50 31.42 3jwd n PRO 212 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3jwd s ILE 213 N -0.58 2.30 0.20 4.25 -1.09 -1.26 -4.94 121.20 120.08 3jwd s ILE 213 Ca 0.61 -0.97 -0.32 0.00 -2.23 0.00 0.00 60.65 57.74 3jwd s ILE 213 Cb -0.59 -1.87 -0.14 0.00 -1.58 0.00 0.00 42.46 38.28 3jwd s ILE 213 CO 0.56 0.56 1.37 -2.65 -1.23 0.00 0.00 174.94 173.55 3jwd n PRO 214 N 3.08 1.77 -5.05 2.79 -0.02 -1.26 -4.52 135.00 131.79 3jwd n PRO 214 Ca -0.18 0.63 -0.28 0.00 -2.02 0.00 0.00 63.50 61.65 3jwd n PRO 214 Cb 0.52 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.58 3jwd n PRO 214 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3jwd s ILE 215 N 0.09 1.70 -0.18 4.25 1.01 -0.72 -4.53 121.20 122.82 3jwd s ILE 215 Ca 0.72 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 3jwd s ILE 215 Cb -0.73 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3jwd s ILE 215 CO 0.48 0.48 0.00 -1.00 0.00 0.00 0.00 174.94 174.91 3jwd s HIS 216 N -0.36 3.09 -0.24 3.97 3.76 -0.26 -1.23 115.29 124.01 3jwd s HIS 216 Ca 0.05 -0.25 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 3jwd s HIS 216 Cb -0.10 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.51 3jwd s HIS 216 CO 0.00 -0.06 0.21 0.71 -0.85 0.00 0.00 174.74 174.75 3jwd s TYR 217 N 0.60 3.31 0.05 1.40 1.51 -1.26 -0.59 117.35 122.37 3jwd s TYR 217 Ca -0.00 0.28 0.08 0.00 -1.01 0.00 0.00 57.07 56.42 3jwd s TYR 217 Cb -0.14 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 3jwd s TYR 217 CO 0.02 0.01 -0.21 0.00 -1.11 0.00 0.00 175.55 174.26 3jwd s ALA 219 N -0.90 3.34 1.00 0.00 0.00 -0.56 -2.36 121.76 122.28 3jwd s ALA 219 Ca 0.14 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 3jwd s ALA 219 Cb -0.10 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3jwd s ALA 219 CO 0.04 0.13 0.08 -2.30 0.00 0.00 0.00 175.76 173.72 3jwd n PRO 220 N 1.64 -0.38 -1.96 0.00 -0.02 -1.26 -4.90 135.00 128.12 3jwd n PRO 220 Ca -0.01 -0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 60.92 3jwd n PRO 220 Cb 0.47 -0.09 -0.03 0.00 -0.02 0.00 0.00 33.50 33.83 3jwd n PRO 220 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jwd s ALA 221 N -3.72 3.63 0.00 3.55 0.00 -1.26 -2.81 121.76 121.15 3jwd s ALA 221 Ca 0.05 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3jwd s ALA 221 Cb -0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3jwd s ALA 221 CO 0.03 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3jwd n GLY 222 N 4.11 2.20 3.84 0.00 0.00 -1.26 -5.07 105.19 109.01 3jwd n GLY 222 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3jwd n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jwd s PHE 223 N -2.18 2.31 0.18 1.61 0.08 -1.12 -2.86 117.98 116.00 3jwd s PHE 223 Ca 0.00 -0.64 -0.10 0.00 0.12 0.00 0.00 56.93 56.31 3jwd s PHE 223 Cb 0.00 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 3jwd s PHE 223 CO 0.00 -0.13 0.31 0.00 -0.10 0.00 0.00 175.22 175.30 3jwd s ALA 224 N -2.62 -0.03 -0.24 5.36 0.00 -0.43 -4.68 121.76 119.12 3jwd s ALA 224 Ca 0.41 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.50 3jwd s ALA 224 Cb -0.00 0.91 0.06 0.00 0.00 0.00 0.00 23.12 24.08 3jwd s ALA 224 CO 0.24 -0.68 -0.06 0.42 0.00 0.00 0.00 175.76 175.68 3jwd s ILE 225 N -3.98 1.67 0.50 0.00 1.01 -1.15 -0.36 121.20 118.89 3jwd s ILE 225 Ca 0.18 -1.32 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 3jwd s ILE 225 Cb 0.03 -1.91 -0.07 0.00 0.01 0.00 0.00 42.46 40.52 3jwd s ILE 225 CO 0.01 -0.10 1.12 -0.76 0.00 0.00 0.00 174.94 175.22 3jwd s LEU 226 N 1.33 3.87 -0.04 2.97 1.02 0.00 -1.28 118.68 126.55 3jwd s LEU 226 Ca -0.06 2.17 -0.01 0.00 0.02 0.00 0.00 54.13 56.24 3jwd s LEU 226 Cb -0.19 -4.45 0.03 0.00 0.02 0.00 0.00 46.19 41.60 3jwd s LEU 226 CO -0.06 -1.02 0.08 -0.75 0.02 0.00 0.00 176.35 174.62 3jwd s LYS 227 N -3.05 -0.00 0.00 1.70 2.20 0.73 -2.24 119.74 119.08 3jwd s LYS 227 Ca 0.68 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 3jwd s LYS 227 Cb -0.24 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 3jwd s LYS 227 CO 0.28 -0.20 1.05 0.00 -0.36 0.00 0.00 175.35 176.12 3jwd n ASN 229 N 4.08 1.37 -4.66 0.00 5.03 -0.51 -4.91 115.26 115.66 3jwd n ASN 229 Ca 0.07 -1.19 -0.42 0.00 0.87 0.00 0.00 54.58 53.91 3jwd n ASN 229 Cb 0.49 0.79 -0.03 0.00 -1.02 0.00 0.00 39.78 40.02 3jwd n ASN 229 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3jwd s ASN 230 N -2.73 6.57 0.09 6.41 2.47 -1.26 -4.92 114.94 121.58 3jwd s ASN 230 Ca 0.12 2.44 -0.17 0.00 0.42 0.00 0.00 52.86 55.67 3jwd s ASN 230 Cb 0.16 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 37.34 3jwd s ASN 230 CO 0.73 -0.97 1.46 0.11 -3.72 0.00 0.00 177.10 174.71 3jwd h LYS 231 N 9.73 0.57 -3.65 0.43 1.57 -1.98 -3.33 116.57 119.91 3jwd h LYS 231 Ca -0.44 -0.24 -0.79 0.00 -1.87 0.00 0.00 60.65 57.32 3jwd h LYS 231 Cb 1.20 -0.02 -0.28 0.00 0.08 0.00 0.00 32.23 33.22 3jwd h LYS 231 CO 0.95 0.80 0.27 0.99 -0.57 0.00 0.00 179.45 181.88 3jwd s THR 232 N -4.64 5.71 -0.11 -0.16 2.01 -1.26 -4.59 115.64 112.60 3jwd s THR 232 Ca -0.13 -3.08 0.02 0.00 0.31 0.00 0.00 61.69 58.80 3jwd s THR 232 Cb 0.08 -4.47 0.01 0.00 0.01 0.00 0.00 72.50 68.13 3jwd s THR 232 CO 0.78 -1.11 -0.15 0.12 -0.69 0.00 0.00 174.62 173.57 3jwd s PHE 233 N -0.71 1.95 0.11 4.92 5.36 -1.25 -5.03 117.98 123.33 3jwd s PHE 233 Ca 0.25 -0.91 0.18 0.00 -0.96 0.00 0.00 56.93 55.50 3jwd s PHE 233 Cb -0.10 -1.41 0.56 0.00 -0.34 0.00 0.00 43.02 41.73 3jwd s PHE 233 CO -0.08 -0.47 1.67 -2.95 -1.46 0.00 0.00 175.22 171.93 3jwd h ASN 234 N 7.40 0.00 0.00 6.13 7.08 -1.94 -3.47 115.58 130.77 3jwd h ASN 234 Ca -0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.91 3jwd h ASN 234 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 3jwd h ASN 234 CO 0.49 0.41 0.00 0.61 -2.08 0.00 0.00 177.43 176.86 3jwd n GLY 235 N 0.42 0.75 2.68 9.14 0.00 -1.26 -4.79 105.19 112.13 3jwd n GLY 235 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3jwd n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jwd s THR 236 N -2.00 0.31 -4.94 2.61 -4.23 -1.26 -1.64 115.64 104.49 3jwd s THR 236 Ca 0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3jwd s THR 236 Cb 0.00 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.91 3jwd s THR 236 CO 0.00 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 3jwd n GLY 237 N 5.12 0.99 3.72 3.99 0.00 -1.04 -4.96 105.19 113.02 3jwd n GLY 237 Ca -0.08 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3jwd n GLY 237 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jwd s PRO 238 N -1.95 4.57 -0.23 1.61 0.04 -1.26 -1.03 135.00 136.75 3jwd s PRO 238 Ca 0.00 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 3jwd s PRO 238 Cb 0.00 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 3jwd s PRO 238 CO 0.00 -0.01 0.06 0.00 0.04 0.00 0.00 177.00 177.09 3jwd n THR 240 N 4.49 3.38 -2.68 0.00 -2.24 -1.26 -1.68 114.28 114.30 3jwd n THR 240 Ca -0.16 -3.52 -0.05 0.00 -2.27 0.00 0.00 64.05 58.05 3jwd n THR 240 Cb 0.52 -1.18 0.05 0.00 -2.10 0.00 0.00 70.33 67.62 3jwd n THR 240 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3jwd n ASN 241 N -0.79 -1.47 -3.59 3.42 2.85 -1.25 -4.86 115.26 109.56 3jwd n ASN 241 Ca 0.57 -2.09 -0.22 0.00 -0.11 0.00 0.00 54.58 52.73 3jwd n ASN 241 Cb 0.63 1.12 0.15 0.00 1.24 0.00 0.00 39.78 42.91 3jwd n ASN 241 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 3jwd n VAL 242 N -0.30 0.00 -3.61 3.44 0.24 -1.26 -1.42 118.33 115.42 3jwd n VAL 242 Ca -0.14 -0.86 -0.02 0.00 -2.04 0.00 0.00 64.34 61.27 3jwd n VAL 242 Cb 0.72 -1.50 -0.01 0.00 -1.47 0.00 0.00 33.84 31.58 3jwd n VAL 242 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3jwd s SER 243 N -4.73 -0.11 -0.05 -1.34 1.04 -0.63 -3.39 113.70 104.47 3jwd s SER 243 Ca 0.58 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.93 3jwd s SER 243 Cb -0.02 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 3jwd s SER 243 CO 0.41 -0.27 0.10 -0.89 0.98 0.00 0.00 173.24 173.56 3jwd s THR 244 N -2.45 5.00 0.06 2.02 2.01 -0.85 -0.19 115.64 121.24 3jwd s THR 244 Ca 0.11 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3jwd s THR 244 Cb 0.01 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 3jwd s THR 244 CO -0.04 0.46 -0.05 0.68 -0.69 0.00 0.00 174.62 174.98 3jwd s VAL 245 N -1.12 0.42 0.00 3.82 -7.23 -0.40 -1.58 120.40 114.32 3jwd s VAL 245 Ca 0.20 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.74 3jwd s VAL 245 Cb -0.12 -1.10 -0.34 0.00 0.56 0.00 0.00 36.38 35.38 3jwd s VAL 245 CO 0.10 -0.71 0.89 -0.61 -0.31 0.00 0.00 175.10 174.46 3jwd h GLN 246 N 3.72 0.49 -3.97 4.82 5.75 -1.86 -3.03 115.11 121.02 3jwd h GLN 246 Ca -0.34 -0.84 -0.15 0.00 -0.15 0.00 0.00 58.65 57.16 3jwd h GLN 246 Cb 1.18 0.31 -0.19 0.00 1.07 0.00 0.00 27.48 29.84 3jwd h GLN 246 CO 0.54 1.40 -0.66 0.00 -2.65 0.00 0.00 178.83 177.46 3jwd n THR 248 N 1.22 0.00 -2.09 0.00 -2.24 -0.21 -4.93 114.28 106.03 3jwd n THR 248 Ca -0.22 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3jwd n THR 248 Cb 0.57 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 3jwd n THR 248 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jwd n HIS 249 N -3.50 -3.35 -2.42 4.78 1.44 -1.26 -4.62 115.22 106.29 3jwd n HIS 249 Ca 0.06 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.34 3jwd n HIS 249 Cb 0.22 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.31 3jwd n HIS 249 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3jwd s GLY 250 N -2.40 1.21 -0.35 -1.39 0.00 -1.26 -4.12 107.32 99.01 3jwd s GLY 250 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 3jwd s GLY 250 CO 0.00 2.65 0.09 -0.42 0.00 0.00 0.00 173.10 175.42 3jwd s ILE 251 N 4.95 3.03 0.01 0.90 1.01 -0.36 -4.74 121.20 126.00 3jwd s ILE 251 Ca 0.57 -1.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.15 3jwd s ILE 251 Cb -0.13 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 3jwd s ILE 251 CO 0.30 -0.40 1.20 -0.13 0.00 0.00 0.00 174.94 175.91 3jwd s ARG 252 N 1.17 4.39 -0.22 2.79 0.52 -1.26 -1.75 118.95 124.59 3jwd s ARG 252 Ca 0.02 1.73 -0.05 0.00 -0.52 0.00 0.00 55.73 56.91 3jwd s ARG 252 Cb -0.21 -3.45 -0.17 0.00 0.52 0.00 0.00 34.95 31.64 3jwd s ARG 252 CO -0.03 -0.35 2.72 -2.30 0.02 0.00 0.00 175.30 175.36 3jwd n PRO 253 N 4.54 1.69 -2.23 3.54 -0.02 -1.26 -4.91 135.00 136.35 3jwd n PRO 253 Ca 0.10 -0.92 -0.43 0.00 -2.02 0.00 0.00 63.50 60.23 3jwd n PRO 253 Cb 0.46 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 3jwd n PRO 253 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3jwd s VAL 254 N 1.80 3.78 -0.19 -1.45 1.01 -1.26 -4.98 120.40 119.11 3jwd s VAL 254 Ca 0.49 0.81 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 3jwd s VAL 254 Cb 0.21 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3jwd s VAL 254 CO -0.01 -0.59 0.50 -0.69 0.00 0.00 0.00 175.10 174.32 3jwd s VAL 255 N 5.72 5.12 -0.07 2.92 1.01 -1.26 -4.90 120.40 128.94 3jwd s VAL 255 Ca 0.67 0.94 -0.31 0.00 0.00 0.00 0.00 61.98 63.28 3jwd s VAL 255 Cb -0.18 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.49 3jwd s VAL 255 CO 0.32 0.21 1.37 -0.94 0.00 0.00 0.00 175.10 176.06 3jwd s SER 256 N 1.06 -0.01 0.26 3.32 1.04 -1.26 -3.77 113.70 114.34 3jwd s SER 256 Ca 0.24 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.65 3jwd s SER 256 Cb -0.15 0.05 -0.06 0.00 0.10 0.00 0.00 66.02 65.96 3jwd s SER 256 CO 0.10 -0.09 0.03 -0.94 0.98 0.00 0.00 173.24 173.31 3jwd s SER 257 N -3.50 1.89 0.00 7.02 1.04 -0.30 -4.65 113.70 115.20 3jwd s SER 257 Ca 0.24 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3jwd s SER 257 Cb 0.03 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3jwd s SER 257 CO -0.04 -0.57 0.00 0.00 0.98 0.00 0.00 173.24 173.61 3jwd n GLN 258 N -0.51 0.00 -4.89 4.02 6.02 0.41 -4.29 117.38 118.15 3jwd n GLN 258 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.63 3jwd n GLN 258 Cb 0.65 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.77 3jwd n GLN 258 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3jwd s LEU 259 N 0.00 2.67 -0.22 1.08 1.43 -1.26 -1.02 118.68 121.37 3jwd s LEU 259 Ca 0.00 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 3jwd s LEU 259 Cb 0.00 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3jwd s LEU 259 CO 0.00 0.28 0.43 -0.76 0.23 0.00 0.00 176.35 176.53 3jwd s LEU 260 N -0.33 4.12 0.04 1.79 1.43 0.33 -4.87 118.68 121.18 3jwd s LEU 260 Ca 0.03 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 3jwd s LEU 260 Cb -0.13 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 3jwd s LEU 260 CO 0.02 -0.14 -0.15 -0.76 0.23 0.00 0.00 176.35 175.56 3jwd s LEU 261 N 1.61 2.78 -1.45 1.79 1.43 -1.26 -1.34 118.68 122.24 3jwd s LEU 261 Ca 0.20 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 3jwd s LEU 261 Cb -0.15 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.49 3jwd s LEU 261 CO 0.09 0.26 0.70 0.59 0.23 0.00 0.00 176.35 178.21 3jwd n ASN 262 N 1.48 -5.13 0.00 2.29 3.02 -0.01 -4.81 115.26 112.10 3jwd n ASN 262 Ca -0.16 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 3jwd n ASN 262 Cb 0.52 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 3jwd n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jwd n GLY 263 N -1.49 2.09 3.38 7.41 0.00 -1.26 -4.71 105.19 110.61 3jwd n GLY 263 Ca -0.04 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 3jwd n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jwd s SER 264 N -0.89 3.96 0.34 1.61 0.01 -1.26 -4.96 113.70 112.51 3jwd s SER 264 Ca 0.00 -0.31 -0.16 0.00 1.31 0.00 0.00 55.95 56.79 3jwd s SER 264 Cb 0.00 -1.43 -0.09 0.00 0.21 0.00 0.00 66.02 64.71 3jwd s SER 264 CO 0.00 0.20 0.77 -0.76 0.41 0.00 0.00 173.24 173.86 3jwd s LEU 265 N 0.11 4.03 0.43 2.44 1.43 -1.26 -4.74 118.68 121.13 3jwd s LEU 265 Ca -0.07 1.34 -0.25 0.00 -1.03 0.00 0.00 54.13 54.12 3jwd s LEU 265 Cb -0.15 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 41.84 3jwd s LEU 265 CO 0.05 -0.24 1.28 0.00 0.23 0.00 0.00 176.35 177.67 3jwd s ALA 266 N -2.03 3.15 -0.61 4.21 0.00 0.24 -4.93 121.76 121.78 3jwd s ALA 266 Ca 0.55 1.19 0.25 0.00 0.00 0.00 0.00 51.96 53.95 3jwd s ALA 266 Cb -0.10 -3.48 0.57 0.00 0.00 0.00 0.00 23.12 20.12 3jwd s ALA 266 CO 0.17 -0.86 1.63 0.93 0.00 0.00 0.00 175.76 177.63 3jwd h GLU 267 N 2.40 0.00 0.00 0.00 5.08 -1.90 -3.40 114.58 116.76 3jwd h GLU 267 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3jwd h GLU 267 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3jwd h GLU 267 CO 0.61 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.01 3jwd n GLU 268 N -2.51 0.00 -3.81 2.33 1.02 -1.26 -5.11 120.64 111.29 3jwd n GLU 268 Ca 0.05 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.96 3jwd n GLU 268 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.84 3jwd n GLU 268 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3jwd s GLU 269 N 0.36 2.43 0.22 3.49 2.02 -1.26 -4.83 118.70 121.13 3jwd s GLU 269 Ca 0.00 -1.62 -0.31 0.00 0.02 0.00 0.00 54.97 53.05 3jwd s GLU 269 Cb 0.00 -2.24 -0.11 0.00 0.10 0.00 0.00 34.13 31.88 3jwd s GLU 269 CO 0.00 -0.12 1.64 0.08 0.02 0.00 0.00 175.26 176.88 3jwd s VAL 270 N -2.50 2.22 -0.05 2.63 1.01 -1.26 -4.72 120.40 117.74 3jwd s VAL 270 Ca 0.44 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.62 3jwd s VAL 270 Cb -0.01 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 3jwd s VAL 270 CO 0.26 0.02 -0.12 -0.69 0.00 0.00 0.00 175.10 174.56 3jwd s VAL 271 N 0.85 3.22 -0.00 2.92 1.01 -0.50 -4.98 120.40 122.92 3jwd s VAL 271 Ca 0.70 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.07 3jwd s VAL 271 Cb -0.47 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3jwd s VAL 271 CO 0.36 0.58 -0.24 0.27 0.00 0.00 0.00 175.10 176.06 3jwd s ILE 272 N -0.77 1.93 -0.02 2.22 -4.36 -1.26 -0.47 121.20 118.47 3jwd s ILE 272 Ca 0.12 -1.12 0.01 0.00 -0.26 0.00 0.00 60.65 59.40 3jwd s ILE 272 Cb -0.11 -1.62 0.01 0.00 1.25 0.00 0.00 42.46 42.00 3jwd s ILE 272 CO 0.01 0.47 -0.03 -0.13 0.24 0.00 0.00 174.94 175.51 3jwd s ARG 273 N -0.76 0.37 -0.18 0.37 0.52 0.25 -4.91 118.95 114.63 3jwd s ARG 273 Ca 0.10 -0.06 -0.16 0.00 -0.52 0.00 0.00 55.73 55.08 3jwd s ARG 273 Cb -0.09 -0.43 0.05 0.00 0.52 0.00 0.00 34.95 34.99 3jwd s ARG 273 CO -0.00 -0.01 0.47 0.45 0.02 0.00 0.00 175.30 176.23 3jwd s SER 274 N 0.41 -0.50 0.57 0.23 0.15 -1.26 -0.81 113.70 112.48 3jwd s SER 274 Ca -0.04 0.95 0.33 0.00 0.70 0.00 0.00 55.95 57.90 3jwd s SER 274 Cb -0.07 0.96 1.69 0.00 -1.71 0.00 0.00 66.02 66.89 3jwd s SER 274 CO -0.01 -0.17 2.13 1.62 1.20 0.00 0.00 173.24 178.02 3jwd h VAL 275 N 4.43 0.29 -0.66 4.45 3.04 -1.96 -3.39 116.25 122.45 3jwd h VAL 275 Ca -0.28 -0.38 0.08 0.00 -1.01 0.00 0.00 66.70 65.11 3jwd h VAL 275 Cb 1.18 1.29 -0.19 0.00 -2.01 0.00 0.00 31.29 31.55 3jwd h VAL 275 CO 0.21 0.06 -0.25 0.21 -1.01 0.00 0.00 177.57 176.79 3jwd s ASN 276 N -5.80 -1.06 0.53 3.17 3.84 -1.26 -5.03 114.94 109.33 3jwd s ASN 276 Ca -0.03 -0.12 0.18 0.00 0.21 0.00 0.00 52.86 53.10 3jwd s ASN 276 Cb 0.12 1.54 1.34 0.00 -0.55 0.00 0.00 41.25 43.70 3jwd s ASN 276 CO 0.53 -0.17 2.16 -0.26 -2.79 0.00 0.00 177.10 176.57 3jwd h PHE 277 N 7.15 0.00 -0.01 0.43 0.04 -1.96 -2.75 116.94 119.84 3jwd h PHE 277 Ca -0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 3jwd h PHE 277 Cb 1.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.34 3jwd h PHE 277 CO 0.06 0.00 -0.00 1.15 -0.60 0.00 0.00 178.31 178.92 3jwd h THR 278 N 0.00 1.33 -2.38 -1.55 2.02 -1.97 -3.41 112.91 106.95 3jwd h THR 278 Ca 0.01 -0.98 -0.57 0.00 0.77 0.00 0.00 66.41 65.64 3jwd h THR 278 Cb 0.03 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3jwd h THR 278 CO -0.00 0.26 1.30 -0.62 0.37 0.00 0.00 175.52 176.82 3jwd s ASP 279 N -5.63 6.02 0.27 4.18 -1.08 -1.04 -4.87 116.67 114.53 3jwd s ASP 279 Ca -0.15 1.96 0.25 0.00 -0.52 0.00 0.00 52.55 54.09 3jwd s ASP 279 Cb 0.02 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.89 3jwd s ASP 279 CO 0.67 -1.50 1.75 -0.55 0.52 0.00 0.00 175.17 176.07 3jwd h ASN 280 N 12.45 0.00 0.26 -0.34 7.08 -1.83 -2.81 115.58 130.39 3jwd h ASN 280 Ca -0.40 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.82 3jwd h ASN 280 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 3jwd h ASN 280 CO 0.97 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 176.32 3jwd n ALA 281 N -1.81 2.45 -2.73 4.14 0.00 -1.26 -4.10 120.51 117.19 3jwd n ALA 281 Ca 0.03 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 3jwd n ALA 281 Cb 0.31 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 3jwd n ALA 281 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3jwd s LYS 282 N -2.29 3.72 0.45 0.00 -0.14 -1.06 -5.07 119.74 115.35 3jwd s LYS 282 Ca 0.34 0.06 -0.23 0.00 -1.36 0.00 0.00 55.97 54.78 3jwd s LYS 282 Cb 0.19 -3.24 -0.08 0.00 -1.68 0.00 0.00 37.83 33.02 3jwd s LYS 282 CO 0.37 0.67 1.15 0.99 -0.76 0.00 0.00 175.35 177.77 3jwd s THR 283 N -0.81 3.19 -0.57 2.17 2.01 -1.26 -4.55 115.64 115.82 3jwd s THR 283 Ca 0.18 0.90 -0.03 0.00 0.31 0.00 0.00 61.69 63.04 3jwd s THR 283 Cb -0.14 -3.46 0.15 0.00 0.01 0.00 0.00 72.50 69.06 3jwd s THR 283 CO 0.07 -0.00 0.39 -0.63 -0.69 0.00 0.00 174.62 173.75 3jwd s ILE 284 N -1.55 3.69 0.05 1.82 1.01 -0.03 -4.51 121.20 121.68 3jwd s ILE 284 Ca 0.62 -2.68 -0.31 0.00 0.00 0.00 0.00 60.65 58.28 3jwd s ILE 284 Cb -0.28 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.69 3jwd s ILE 284 CO 0.34 -0.83 1.50 -0.63 0.00 0.00 0.00 174.94 175.31 3jwd s ILE 285 N 0.29 3.35 -0.02 2.92 1.01 0.01 -2.40 121.20 126.36 3jwd s ILE 285 Ca 0.14 0.82 0.06 0.00 0.00 0.00 0.00 60.65 61.67 3jwd s ILE 285 Cb -0.21 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3jwd s ILE 285 CO -0.04 0.01 -0.19 -0.69 0.00 0.00 0.00 174.94 174.03 3jwd s VAL 286 N 2.21 2.65 -0.11 2.92 1.01 0.40 -0.58 120.40 128.90 3jwd s VAL 286 Ca 0.68 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3jwd s VAL 286 Cb -0.36 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3jwd s VAL 286 CO 0.29 0.52 -0.15 -1.58 0.00 0.00 0.00 175.10 174.18 3jwd s GLN 287 N -0.88 2.21 0.24 2.72 0.74 0.38 -2.02 119.66 123.05 3jwd s GLN 287 Ca 0.12 -0.56 -0.07 0.00 0.05 0.00 0.00 55.36 54.90 3jwd s GLN 287 Cb -0.10 -1.89 -0.06 0.00 1.10 0.00 0.00 33.01 32.05 3jwd s GLN 287 CO 0.01 -0.07 0.52 -0.51 -0.55 0.00 0.00 175.29 174.69 3jwd s LEU 288 N 1.01 4.14 0.00 3.68 1.43 -0.33 -1.41 118.68 127.20 3jwd s LEU 288 Ca -0.06 0.79 0.23 0.00 -1.03 0.00 0.00 54.13 54.06 3jwd s LEU 288 Cb -0.15 -3.56 0.46 0.00 0.03 0.00 0.00 46.19 42.97 3jwd s LEU 288 CO -0.02 -0.10 1.42 -0.46 0.23 0.00 0.00 176.35 177.42 3jwd n ASN 289 N -0.41 3.21 -3.39 2.29 0.23 -1.26 -0.59 115.26 115.34 3jwd n ASN 289 Ca -0.01 -1.96 -0.05 0.00 -0.53 0.00 0.00 54.58 52.03 3jwd n ASN 289 Cb 0.53 -0.22 -0.06 0.00 -2.08 0.00 0.00 39.78 37.94 3jwd n ASN 289 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3jwd s THR 290 N -1.56 -0.73 0.47 5.53 2.01 -1.26 -4.82 115.64 115.27 3jwd s THR 290 Ca 0.37 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 3jwd s THR 290 Cb 0.22 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.82 3jwd s THR 290 CO 0.31 -0.04 1.20 -0.94 -0.69 0.00 0.00 174.62 174.45 3jwd s SER 291 N 2.66 6.04 -0.18 3.53 1.04 -1.26 -4.94 113.70 120.60 3jwd s SER 291 Ca 0.10 2.39 -0.01 0.00 0.48 0.00 0.00 55.95 58.91 3jwd s SER 291 Cb -0.14 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3jwd s SER 291 CO -0.17 -1.01 -0.13 -0.69 0.98 0.00 0.00 173.24 172.22 3jwd s VAL 292 N -1.50 2.76 0.11 5.02 1.01 -0.67 -4.90 120.40 122.24 3jwd s VAL 292 Ca 0.64 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 3jwd s VAL 292 Cb -0.31 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 3jwd s VAL 292 CO 0.37 0.50 1.20 -1.61 0.00 0.00 0.00 175.10 175.56 3jwd s GLU 293 N 1.06 4.46 -0.27 2.72 2.02 -1.26 0.21 118.70 127.63 3jwd s GLU 293 Ca -0.00 1.82 0.02 0.00 0.02 0.00 0.00 54.97 56.83 3jwd s GLU 293 Cb -0.15 -3.30 0.06 0.00 0.10 0.00 0.00 34.13 30.84 3jwd s GLU 293 CO -0.03 -0.19 -0.08 -1.50 0.02 0.00 0.00 175.26 173.48 3jwd s ILE 294 N 0.61 2.35 -0.36 -1.63 2.07 -0.47 -4.40 121.20 119.37 3jwd s ILE 294 Ca 0.57 -1.61 -0.18 0.00 -1.41 0.00 0.00 60.65 58.02 3jwd s ILE 294 Cb -0.31 -2.39 0.00 0.00 0.13 0.00 0.00 42.46 39.89 3jwd s ILE 294 CO 0.32 -0.06 0.53 0.20 -1.91 0.00 0.00 174.94 174.02 3jwd s ASN 295 N 1.13 6.32 0.30 4.50 0.01 -0.78 -2.52 114.94 123.91 3jwd s ASN 295 Ca -0.08 -0.08 0.07 0.00 -0.71 0.00 0.00 52.86 52.06 3jwd s ASN 295 Cb -0.20 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 3jwd s ASN 295 CO -0.04 -0.52 0.37 0.00 -1.51 0.00 0.00 177.10 175.39 3jwd s THR 297 N -2.16 0.03 -1.03 0.00 -1.32 -1.10 -2.65 115.64 107.41 3jwd s THR 297 Ca 0.40 -0.27 0.13 0.00 -1.21 0.00 0.00 61.69 60.74 3jwd s THR 297 Cb -0.08 -0.77 0.11 0.00 -1.51 0.00 0.00 72.50 70.25 3jwd s THR 297 CO 0.29 -0.15 1.40 0.61 -2.21 0.00 0.00 174.62 174.56 3jwd n GLY 298 N 1.17 -0.92 0.00 6.08 0.00 0.16 -2.30 105.19 109.37 3jwd n GLY 298 Ca -0.20 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3jwd n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwd n ALA 299 N -1.48 2.07 -1.11 4.61 0.00 -1.26 -4.86 120.51 118.46 3jwd n ALA 299 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3jwd n ALA 299 Cb 0.15 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3jwd n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jwd n GLY 329 N 0.23 0.95 3.58 0.00 0.00 -0.97 -5.01 105.19 103.96 3jwd n GLY 329 Ca 0.11 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3jwd n GLY 329 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3jwd s HIS 330 N -2.41 -0.25 -0.02 1.61 0.00 -1.24 -1.35 115.29 111.63 3jwd s HIS 330 Ca 0.00 -0.09 0.00 0.00 -3.00 0.00 0.00 55.06 51.97 3jwd s HIS 330 Cb 0.00 0.51 0.03 0.00 -4.00 0.00 0.00 32.58 29.12 3jwd s HIS 330 CO 0.00 -0.98 0.03 0.00 -1.00 0.00 0.00 174.74 172.79 3jwd s ASN 332 N 1.09 6.61 -0.11 0.00 0.01 -0.25 -0.37 114.94 121.92 3jwd s ASN 332 Ca -0.09 0.73 -0.05 0.00 -0.71 0.00 0.00 52.86 52.75 3jwd s ASN 332 Cb -0.13 -2.16 0.05 0.00 0.41 0.00 0.00 41.25 39.42 3jwd s ASN 332 CO -0.03 0.30 0.23 -0.63 -1.51 0.00 0.00 177.10 175.46 3jwd s ILE 333 N -1.18 -0.17 0.01 0.60 1.01 -0.16 -1.87 121.20 119.44 3jwd s ILE 333 Ca 0.24 0.21 -0.35 0.00 0.00 0.00 0.00 60.65 60.75 3jwd s ILE 333 Cb -0.14 -0.37 -0.14 0.00 0.01 0.00 0.00 42.46 41.81 3jwd s ILE 333 CO 0.13 0.09 1.66 0.00 0.00 0.00 0.00 174.94 176.81 3jwd n ALA 334 N 4.67 0.61 0.07 9.38 0.00 -1.26 -0.37 120.51 133.61 3jwd n ALA 334 Ca -0.18 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 3jwd n ALA 334 Cb 0.52 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.55 3jwd n ALA 334 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3jwd h ARG 335 N 6.90 -0.21 -0.77 0.00 2.43 -1.86 -2.45 114.38 118.42 3jwd h ARG 335 Ca -0.47 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3jwd h ARG 335 Cb 1.28 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 3jwd h ARG 335 CO 0.90 0.19 0.47 0.00 -1.51 0.00 0.00 179.97 180.02 3jwd h ALA 336 N -0.02 0.99 -0.16 2.80 0.00 -1.88 0.19 119.26 121.18 3jwd h ALA 336 Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3jwd h ALA 336 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3jwd h ALA 336 CO 0.04 0.45 -0.00 -0.22 0.00 0.00 0.00 179.25 179.51 3jwd h LYS 337 N 1.06 0.28 0.00 0.00 3.64 -1.97 -2.60 116.57 116.98 3jwd h LYS 337 Ca 0.28 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3jwd h LYS 337 Cb -0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3jwd h LYS 337 CO -0.05 0.51 -0.19 2.35 -2.27 0.00 0.00 179.45 179.80 3jwd h TRP 338 N 0.02 0.00 0.54 1.91 2.91 -1.24 -1.14 115.95 118.95 3jwd h TRP 338 Ca 0.04 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 3jwd h TRP 338 Cb 0.39 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.04 3jwd h TRP 338 CO 0.04 0.19 -0.26 -0.97 -1.03 0.00 0.00 178.44 176.40 3jwd h ASN 339 N 0.00 -0.61 -0.95 2.65 -1.24 -0.71 -2.09 115.58 112.64 3jwd h ASN 339 Ca -0.00 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.04 3jwd h ASN 339 Cb 0.35 0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.50 3jwd h ASN 339 CO 0.02 -0.38 0.61 0.78 -1.29 0.00 0.00 177.43 177.18 3jwd h ASN 340 N -0.79 1.01 -0.97 1.15 2.35 -1.23 -1.60 115.58 115.50 3jwd h ASN 340 Ca -0.07 -0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.85 3jwd h ASN 340 Cb 0.58 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 38.64 3jwd h ASN 340 CO 0.12 0.69 0.61 0.74 -1.65 0.00 0.00 177.43 177.94 3jwd h THR 341 N 1.18 0.75 -0.03 2.81 2.02 -1.04 0.02 112.91 118.62 3jwd h THR 341 Ca 0.38 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 67.12 3jwd h THR 341 Cb 0.04 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 3jwd h THR 341 CO -0.13 0.13 -0.82 -0.07 0.37 0.00 0.00 175.52 175.00 3jwd h LEU 342 N 0.71 0.41 -1.04 2.58 3.38 -0.60 -2.73 115.31 118.02 3jwd h LEU 342 Ca 0.52 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3jwd h LEU 342 Cb 0.87 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3jwd h LEU 342 CO -0.29 1.07 0.05 0.50 0.09 0.00 0.00 178.44 179.86 3jwd h LYS 343 N 0.21 0.74 0.32 1.13 3.64 -0.48 0.28 116.57 122.40 3jwd h LYS 343 Ca -0.05 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3jwd h LYS 343 Cb 1.42 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3jwd h LYS 343 CO 0.14 0.71 -0.15 1.96 -2.27 0.00 0.00 179.45 179.83 3jwd h GLN 344 N 0.70 -0.42 -0.32 1.90 4.20 -1.16 -1.76 115.11 118.25 3jwd h GLN 344 Ca 0.15 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.92 3jwd h GLN 344 Cb 0.36 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 3jwd h GLN 344 CO 0.01 -0.14 0.12 0.82 -0.67 0.00 0.00 178.83 178.97 3jwd h ILE 345 N -0.67 0.92 -0.60 2.54 2.04 -1.28 -1.91 117.51 118.56 3jwd h ILE 345 Ca -0.04 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.83 3jwd h ILE 345 Cb 0.47 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 3jwd h ILE 345 CO 0.07 0.05 0.19 0.00 0.00 0.00 0.00 178.15 178.46 3jwd h ALA 346 N 1.20 0.75 -0.18 1.87 0.00 -0.45 -0.41 119.26 122.03 3jwd h ALA 346 Ca 0.14 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3jwd h ALA 346 Cb 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3jwd h ALA 346 CO -0.14 -0.24 -0.21 1.03 0.00 0.00 0.00 179.25 179.70 3jwd h SER 347 N 0.35 0.31 0.46 0.00 0.87 -0.77 0.20 113.55 114.97 3jwd h SER 347 Ca 0.31 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.64 3jwd h SER 347 Cb 0.41 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3jwd h SER 347 CO -0.34 0.53 -0.62 0.11 -0.53 0.00 0.00 176.83 175.98 3jwd h LYS 348 N 0.29 0.15 0.10 2.24 1.79 -0.53 -2.66 116.57 117.96 3jwd h LYS 348 Ca 0.05 -0.11 -0.22 0.00 -2.18 0.00 0.00 60.65 58.19 3jwd h LYS 348 Cb 0.53 0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3jwd h LYS 348 CO 0.04 0.72 -0.91 -0.07 -1.08 0.00 0.00 179.45 178.15 3jwd h LEU 349 N 0.11 0.62 -2.09 2.94 3.38 -0.38 -2.83 115.31 117.06 3jwd h LEU 349 Ca -0.01 -0.86 0.01 0.00 0.09 0.00 0.00 57.88 57.11 3jwd h LEU 349 Cb 1.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3jwd h LEU 349 CO 0.09 1.42 0.02 -0.09 0.09 0.00 0.00 178.44 179.97 3jwd h ARG 350 N -0.09 0.00 -0.13 1.13 2.43 -0.66 -0.51 114.38 116.55 3jwd h ARG 350 Ca -0.14 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.81 3jwd h ARG 350 Cb 1.65 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.21 3jwd h ARG 350 CO 0.17 0.00 -0.79 1.49 -1.51 0.00 0.00 179.97 179.33 3jwd h GLU 351 N 0.00 0.71 -0.03 0.20 4.81 -1.47 -3.10 114.58 115.71 3jwd h GLU 351 Ca 0.01 -0.59 -0.15 0.00 -0.13 0.00 0.00 59.36 58.49 3jwd h GLU 351 Cb 0.05 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3jwd h GLU 351 CO -0.00 1.20 -0.69 0.37 -0.73 0.00 0.00 179.01 179.17 3jwd h GLN 352 N 0.48 0.13 -1.18 1.92 5.75 -0.99 -3.30 115.11 117.92 3jwd h GLN 352 Ca -0.05 -0.10 -0.62 0.00 -0.15 0.00 0.00 58.65 57.72 3jwd h GLN 352 Cb 1.41 0.02 -0.37 0.00 1.07 0.00 0.00 27.48 29.62 3jwd h GLN 352 CO 0.16 0.76 -0.09 1.19 -2.65 0.00 0.00 178.83 178.20 3jwd n PHE 353 N -3.77 3.06 -0.45 3.99 3.72 -0.32 -5.02 117.46 118.67 3jwd n PHE 353 Ca -0.02 -2.64 0.00 0.00 -0.05 0.00 0.00 57.45 54.74 3jwd n PHE 353 Cb 0.67 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3jwd n PHE 353 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jwd n GLY 354 N -0.68 -3.67 3.08 1.37 0.00 -1.18 -4.62 105.19 99.48 3jwd n GLY 354 Ca 0.49 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3jwd n GLY 354 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jwd n ASN 355 N -0.06 3.10 0.00 1.61 3.02 -1.18 -3.08 115.26 118.67 3jwd n ASN 355 Ca 0.00 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 3jwd n ASN 355 Cb 0.00 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.80 3jwd n ASN 355 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3jwd n ASN 356 N 7.88 0.00 -4.90 6.41 0.23 -1.26 -5.11 115.26 118.51 3jwd n ASN 356 Ca 0.50 -0.03 -0.31 0.00 -0.53 0.00 0.00 54.58 54.21 3jwd n ASN 356 Cb 0.41 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.07 3jwd n ASN 356 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3jwd s LYS 357 N 0.00 3.61 -0.06 -3.83 1.02 -1.18 -4.90 119.74 114.41 3jwd s LYS 357 Ca 0.00 -0.10 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 3jwd s LYS 357 Cb 0.00 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 3jwd s LYS 357 CO 0.00 0.45 0.62 0.99 -0.92 0.00 0.00 175.35 176.48 3jwd s THR 358 N -1.70 5.03 -0.29 2.17 2.01 -0.88 -4.90 115.64 117.08 3jwd s THR 358 Ca 0.41 1.27 -0.10 0.00 0.31 0.00 0.00 61.69 63.58 3jwd s THR 358 Cb -0.12 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 3jwd s THR 358 CO 0.25 0.32 0.17 -0.63 -0.69 0.00 0.00 174.62 174.04 3jwd s ILE 359 N 0.43 4.96 -0.04 1.82 -1.09 -0.77 -0.53 121.20 125.97 3jwd s ILE 359 Ca 0.33 -0.09 0.07 0.00 -2.23 0.00 0.00 60.65 58.73 3jwd s ILE 359 Cb -0.17 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 3jwd s ILE 359 CO 0.16 0.19 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.18 3jwd s ILE 360 N 1.69 2.10 -0.09 2.92 1.01 -0.47 0.03 121.20 128.39 3jwd s ILE 360 Ca 0.06 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3jwd s ILE 360 Cb -0.16 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3jwd s ILE 360 CO 0.08 0.58 0.00 -0.36 0.00 0.00 0.00 174.94 175.24 3jwd s PHE 361 N -0.44 3.16 0.17 3.97 0.08 -0.25 -0.91 117.98 123.75 3jwd s PHE 361 Ca 0.05 0.17 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 3jwd s PHE 361 Cb -0.12 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 3jwd s PHE 361 CO 0.01 0.43 0.06 0.15 -0.10 0.00 0.00 175.22 175.78 3jwd s LYS 362 N -0.78 1.07 0.72 0.44 1.02 -0.51 -2.92 119.74 118.78 3jwd s LYS 362 Ca 0.12 -1.53 -0.12 0.00 0.02 0.00 0.00 55.97 54.46 3jwd s LYS 362 Cb -0.11 0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.31 3jwd s LYS 362 CO 0.02 -0.26 1.08 1.14 -0.92 0.00 0.00 175.35 176.41 3jwd s GLN 363 N -4.04 2.57 0.18 1.68 -2.07 -1.15 -4.06 119.66 112.77 3jwd s GLN 363 Ca 0.29 1.16 -0.30 0.00 -1.82 0.00 0.00 55.36 54.68 3jwd s GLN 363 Cb 0.07 -1.94 -0.17 0.00 -1.09 0.00 0.00 33.01 29.89 3jwd s GLN 363 CO 0.06 -1.40 0.75 0.45 -1.32 0.00 0.00 175.29 173.83 3jwd n SER 364 N -3.14 -0.40 0.00 12.60 2.88 -1.26 -4.79 113.62 119.51 3jwd n SER 364 Ca 0.09 1.14 0.15 0.00 -1.33 0.00 0.00 58.87 58.92 3jwd n SER 364 Cb 0.53 -1.02 0.88 0.00 -0.75 0.00 0.00 64.21 63.85 3jwd n SER 364 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3jwd n SER 365 N 1.81 0.00 0.00 -3.46 2.88 -1.26 -4.98 113.62 108.61 3jwd n SER 365 Ca 0.17 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 3jwd n SER 365 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3jwd n SER 365 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3jwd n GLY 366 N 0.94 2.76 0.00 0.46 0.00 -1.26 -5.17 105.19 102.92 3jwd n GLY 366 Ca 0.22 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3jwd n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwd n GLY 367 N -0.75 0.23 3.91 -0.02 0.00 -1.26 -4.79 105.19 102.50 3jwd n GLY 367 Ca 0.00 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 3jwd n GLY 367 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jwd s ASP 368 N -4.00 6.37 0.44 1.61 1.01 -1.26 -4.85 116.67 115.99 3jwd s ASP 368 Ca 0.00 0.84 0.18 0.00 0.71 0.00 0.00 52.55 54.28 3jwd s ASP 368 Cb 0.00 -2.20 1.12 0.00 1.01 0.00 0.00 42.92 42.84 3jwd s ASP 368 CO 0.00 -0.40 1.92 -0.65 0.21 0.00 0.00 175.17 176.25 3jwd h PRO 369 N 0.88 0.34 0.00 8.23 0.11 -1.98 0.24 132.00 139.82 3jwd h PRO 369 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3jwd h PRO 369 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3jwd h PRO 369 CO 0.63 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 3jwd n GLU 370 N -4.46 0.13 -0.10 1.05 4.71 -1.26 -2.46 120.64 118.25 3jwd n GLU 370 Ca 0.15 0.28 -0.19 0.00 -0.01 0.00 0.00 57.16 57.38 3jwd n GLU 370 Cb 0.59 -1.71 -0.08 0.00 -1.01 0.00 0.00 31.44 29.23 3jwd n GLU 370 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3jwd n ILE 371 N -1.94 1.11 0.13 -3.67 2.08 0.56 -4.19 119.36 113.45 3jwd n ILE 371 Ca 0.04 -0.33 0.02 0.00 0.56 0.00 0.00 62.75 63.04 3jwd n ILE 371 Cb 0.27 -1.59 0.36 0.00 -0.75 0.00 0.00 39.64 37.93 3jwd n ILE 371 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3jwd h VAL 372 N -0.50 1.21 -2.01 1.39 2.07 -0.80 -3.44 116.25 114.17 3jwd h VAL 372 Ca -0.49 -0.98 -0.57 0.00 0.82 0.00 0.00 66.70 65.48 3jwd h VAL 372 Cb 1.52 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 32.57 3jwd h VAL 372 CO -0.24 0.29 -0.61 0.42 0.02 0.00 0.00 177.57 177.46 3jwd s THR 373 N -4.53 2.96 -1.15 2.57 -4.23 -1.03 -4.54 115.64 105.69 3jwd s THR 373 Ca -0.05 -1.90 -0.22 0.00 -1.18 0.00 0.00 61.69 58.33 3jwd s THR 373 Cb 0.15 -2.83 -0.06 0.00 1.34 0.00 0.00 72.50 71.10 3jwd s THR 373 CO 0.74 -0.26 1.90 -2.28 -0.54 0.00 0.00 174.62 174.18 3jwd s HIS 374 N -2.44 2.03 0.26 3.99 2.46 -0.29 -4.72 115.29 116.59 3jwd s HIS 374 Ca 0.34 0.23 -0.30 0.00 0.47 0.00 0.00 55.06 55.81 3jwd s HIS 374 Cb -0.03 -4.11 -0.09 0.00 -0.13 0.00 0.00 32.58 28.22 3jwd s HIS 374 CO 0.20 -1.38 1.10 -0.46 -2.47 0.00 0.00 174.74 171.73 3jwd s TRP 375 N 9.97 3.59 -0.21 3.88 -0.00 -1.26 -3.31 118.94 131.60 3jwd s TRP 375 Ca 0.66 1.68 -0.30 0.00 -0.00 0.00 0.00 56.10 58.15 3jwd s TRP 375 Cb -0.01 -3.28 0.15 0.00 -0.00 0.00 0.00 33.47 30.33 3jwd s TRP 375 CO 0.10 -0.56 1.15 -0.59 -0.00 0.00 0.00 176.95 177.05 3jwd s PHE 376 N -0.99 -0.23 0.16 5.86 -0.71 -0.96 -1.15 117.98 119.96 3jwd s PHE 376 Ca 0.45 0.38 -0.15 0.00 -1.04 0.00 0.00 56.93 56.58 3jwd s PHE 376 Cb -0.31 0.47 -0.07 0.00 -1.21 0.00 0.00 43.02 41.90 3jwd s PHE 376 CO 0.40 -0.22 0.57 1.21 -1.34 0.00 0.00 175.22 175.84 3jwd s ASN 377 N -1.14 6.85 -0.47 1.98 3.84 -1.25 -1.07 114.94 123.68 3jwd s ASN 377 Ca 0.03 1.11 0.06 0.00 0.21 0.00 0.00 52.86 54.28 3jwd s ASN 377 Cb -0.01 -2.30 0.18 0.00 -0.55 0.00 0.00 41.25 38.57 3jwd s ASN 377 CO -0.03 0.09 0.62 0.00 -2.79 0.00 0.00 177.10 174.99 3jwd n GLY 379 N 3.29 1.04 0.78 0.00 0.00 -1.25 -4.03 105.19 105.04 3jwd n GLY 379 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3jwd n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwd n GLY 380 N -1.22 3.30 3.84 -0.02 0.00 -1.26 -4.73 105.19 105.10 3jwd n GLY 380 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3jwd n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jwd s GLU 381 N -0.63 3.76 -0.21 1.61 0.41 -1.26 -5.05 118.70 117.34 3jwd s GLU 381 Ca 0.00 0.13 -0.21 0.00 -0.41 0.00 0.00 54.97 54.48 3jwd s GLU 381 Cb 0.00 -3.24 -0.02 0.00 -1.78 0.00 0.00 34.13 29.09 3jwd s GLU 381 CO 0.00 0.66 0.63 -0.06 -0.49 0.00 0.00 175.26 176.00 3jwd s PHE 382 N -0.83 3.36 -0.10 1.61 0.08 -1.26 -1.91 117.98 118.92 3jwd s PHE 382 Ca 0.19 0.91 -0.04 0.00 0.12 0.00 0.00 56.93 58.10 3jwd s PHE 382 Cb -0.14 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 3jwd s PHE 382 CO 0.08 -0.21 0.08 -0.06 -0.10 0.00 0.00 175.22 175.01 3jwd s PHE 383 N 2.04 3.39 -0.31 0.36 2.99 -0.23 -2.14 117.98 124.07 3jwd s PHE 383 Ca 0.28 0.36 0.03 0.00 0.00 0.00 0.00 56.93 57.60 3jwd s PHE 383 Cb -0.16 -1.86 0.09 0.00 0.00 0.00 0.00 43.02 41.09 3jwd s PHE 383 CO 0.10 0.61 0.02 0.71 -0.00 0.00 0.00 175.22 176.66 3jwd s TYR 384 N -0.98 3.13 -0.15 0.36 2.02 -0.71 -2.27 117.35 118.75 3jwd s TYR 384 Ca 0.15 -2.51 -0.06 0.00 -0.37 0.00 0.00 57.07 54.28 3jwd s TYR 384 Cb -0.12 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 3jwd s TYR 384 CO 0.04 -0.90 0.05 0.00 -1.57 0.00 0.00 175.55 173.16 3jwd s ASN 386 N -0.08 6.75 -0.07 0.00 2.47 -0.08 -1.14 114.94 122.79 3jwd s ASN 386 Ca 0.06 2.39 0.10 0.00 0.42 0.00 0.00 52.86 55.83 3jwd s ASN 386 Cb -0.12 -2.58 0.21 0.00 -1.45 0.00 0.00 41.25 37.31 3jwd s ASN 386 CO 0.01 -0.72 1.15 -1.54 -3.72 0.00 0.00 177.10 172.28 3jwd n SER 387 N 4.23 2.52 -0.14 -4.21 3.41 -1.26 -4.39 113.62 113.77 3jwd n SER 387 Ca 0.13 -2.49 -0.01 0.00 -0.26 0.00 0.00 58.87 56.23 3jwd n SER 387 Cb 0.41 -0.25 0.22 0.00 -0.26 0.00 0.00 64.21 64.34 3jwd n SER 387 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3jwd h THR 388 N 0.57 1.21 0.00 6.66 2.02 -1.91 -1.74 112.91 119.72 3jwd h THR 388 Ca 0.00 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 3jwd h THR 388 Cb 0.83 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3jwd h THR 388 CO 0.03 0.26 -0.11 1.56 0.37 0.00 0.00 175.52 177.63 3jwd h GLN 389 N 0.83 0.00 -0.03 6.66 4.20 -1.97 -2.67 115.11 122.13 3jwd h GLN 389 Ca 0.20 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 3jwd h GLN 389 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3jwd h GLN 389 CO -0.02 0.11 -0.21 -0.07 -0.67 0.00 0.00 178.83 177.97 3jwd h LEU 390 N 0.00 0.24 -5.77 1.46 3.38 -1.68 -3.38 115.31 109.56 3jwd h LEU 390 Ca -0.00 -0.68 -0.71 0.00 0.09 0.00 0.00 57.88 56.58 3jwd h LEU 390 Cb 0.49 -0.07 -0.34 0.00 0.09 0.00 0.00 40.66 40.83 3jwd h LEU 390 CO 0.01 0.89 0.25 0.49 0.09 0.00 0.00 178.44 180.17 3jwd n PHE 391 N -4.54 3.38 -3.16 1.13 3.01 -1.02 -4.68 117.46 111.58 3jwd n PHE 391 Ca -0.09 -3.22 -0.21 0.00 1.01 0.00 0.00 57.45 54.94 3jwd n PHE 391 Cb 0.45 -0.86 -0.04 0.00 -0.01 0.00 0.00 39.48 39.02 3jwd n PHE 391 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3jwd n ASN 392 N -0.16 1.41 -4.29 4.37 2.85 -1.17 -2.30 115.26 115.97 3jwd n ASN 392 Ca 0.40 -3.08 -0.19 0.00 -0.11 0.00 0.00 54.58 51.60 3jwd n ASN 392 Cb 0.32 -0.62 -0.11 0.00 1.24 0.00 0.00 39.78 40.62 3jwd n ASN 392 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 3jwd s SER 393 N -2.38 2.32 -0.08 1.20 0.01 -1.15 -4.98 113.70 108.65 3jwd s SER 393 Ca 0.41 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3jwd s SER 393 Cb 0.30 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.44 3jwd s SER 393 CO -0.09 -0.11 -0.05 -0.89 0.41 0.00 0.00 173.24 172.50 3jwd s THR 394 N -2.26 0.72 0.15 1.44 2.01 -1.26 -1.09 115.64 115.35 3jwd s THR 394 Ca 0.13 -0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.09 3jwd s THR 394 Cb -0.04 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3jwd s THR 394 CO 0.05 0.30 -0.23 0.26 -0.69 0.00 0.00 174.62 174.30 3jwd s TRP 395 N 1.46 2.37 -1.47 4.92 0.52 0.10 -4.68 118.94 122.16 3jwd s TRP 395 Ca -0.02 -0.34 -0.07 0.00 0.02 0.00 0.00 56.10 55.69 3jwd s TRP 395 Cb -0.13 -1.24 0.03 0.00 -1.15 0.00 0.00 33.47 30.98 3jwd s TRP 395 CO -0.04 0.40 0.71 1.19 0.02 0.00 0.00 176.95 179.24 3jwd n PHE 396 N 0.65 -2.11 -3.69 -1.98 3.01 -1.26 -1.85 117.46 110.24 3jwd n PHE 396 Ca -0.16 0.63 -0.35 0.00 1.01 0.00 0.00 57.45 58.58 3jwd n PHE 396 Cb 0.54 -4.18 -0.08 0.00 -0.01 0.00 0.00 39.48 35.75 3jwd n PHE 396 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3jwd s ASN 397 N -2.86 5.67 -0.78 4.37 3.84 -1.26 -4.52 114.94 119.40 3jwd s ASN 397 Ca 0.41 -3.54 -0.25 0.00 0.21 0.00 0.00 52.86 49.69 3jwd s ASN 397 Cb -0.19 -1.86 -0.05 0.00 -0.55 0.00 0.00 41.25 38.60 3jwd s ASN 397 CO 0.51 -0.21 1.97 -0.94 -2.79 0.00 0.00 177.10 175.63 3jwd s SER 398 N -0.11 5.07 0.00 -4.21 1.04 -1.26 -5.18 113.70 109.05 3jwd s SER 398 Ca 0.25 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3jwd s SER 398 Cb -0.10 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3jwd s SER 398 CO -0.11 -2.70 0.00 0.35 0.98 0.00 0.00 173.24 171.76 3jwd n THR 399 N 7.72 0.00 -1.19 2.02 -2.24 -1.26 -5.30 114.28 114.03 3jwd n THR 399 Ca 0.34 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 3jwd n THR 399 Cb 0.49 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 3jwd n THR 399 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3jwd n GLU 409 N -1.39 0.00 -2.47 -0.78 0.28 -1.26 -5.32 120.64 109.70 3jwd n GLU 409 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 3jwd n GLU 409 Cb 0.00 -0.49 0.01 0.00 1.43 0.00 0.00 31.44 32.38 3jwd n GLU 409 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3jwd n GLY 410 N -0.38 1.77 3.77 -1.84 0.00 -1.26 -5.16 105.19 102.08 3jwd n GLY 410 Ca 0.00 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 3jwd n GLY 410 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jwd s SER 411 N -2.04 5.66 0.11 1.61 0.15 -1.26 -5.03 113.70 112.89 3jwd s SER 411 Ca 0.09 0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.67 3jwd s SER 411 Cb -0.02 -1.65 -0.10 0.00 -1.71 0.00 0.00 66.02 62.54 3jwd s SER 411 CO 0.07 0.33 1.64 -0.78 1.20 0.00 0.00 173.24 175.70 3jwd h ASP 412 N 4.60 -0.69 -5.04 5.45 1.82 -2.02 -3.45 116.42 117.09 3jwd h ASP 412 Ca -0.51 0.07 -0.16 0.00 -0.39 0.00 0.00 57.03 56.05 3jwd h ASP 412 Cb 1.19 0.25 -0.16 0.00 0.68 0.00 0.00 39.33 41.29 3jwd h ASP 412 CO 0.59 -0.35 -0.69 0.42 -1.61 0.00 0.00 179.24 177.60 3jwd s THR 413 N -6.07 0.32 -0.10 2.25 -4.23 -1.26 -3.84 115.64 102.72 3jwd s THR 413 Ca -0.16 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 58.42 3jwd s THR 413 Cb 0.07 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 3jwd s THR 413 CO 0.65 -0.86 0.91 -0.63 -0.54 0.00 0.00 174.62 174.15 3jwd s ILE 414 N -3.33 4.86 -0.22 2.99 1.01 0.50 -4.85 121.20 122.16 3jwd s ILE 414 Ca 0.03 1.86 -0.03 0.00 0.00 0.00 0.00 60.65 62.51 3jwd s ILE 414 Cb 0.04 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 3jwd s ILE 414 CO -0.07 0.08 -0.05 -0.89 0.00 0.00 0.00 174.94 174.01 3jwd s THR 415 N 1.68 3.27 -0.22 2.92 2.01 -1.26 -0.99 115.64 123.06 3jwd s THR 415 Ca 0.45 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 3jwd s THR 415 Cb -0.18 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3jwd s THR 415 CO 0.18 0.41 0.12 -0.76 -0.69 0.00 0.00 174.62 173.88 3jwd s LEU 416 N 1.46 3.96 -0.05 4.42 1.43 0.50 -4.89 118.68 125.50 3jwd s LEU 416 Ca 0.05 0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 3jwd s LEU 416 Cb -0.14 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 3jwd s LEU 416 CO -0.04 0.10 1.85 -2.84 0.23 0.00 0.00 176.35 175.65 3jwd s PRO 417 N 0.85 3.99 0.33 1.29 0.02 -1.26 -1.18 135.00 139.05 3jwd s PRO 417 Ca 0.06 2.29 0.05 0.00 0.02 0.00 0.00 61.00 63.42 3jwd s PRO 417 Cb -0.13 -4.11 -0.07 0.00 0.02 0.00 0.00 34.50 30.21 3jwd s PRO 417 CO 0.03 -1.09 0.01 0.00 -0.33 0.00 0.00 177.00 175.61 3jwd s ARG 419 N -3.80 0.44 0.81 0.00 1.70 -1.09 -4.53 118.95 112.48 3jwd s ARG 419 Ca 0.34 0.82 -0.11 0.00 -0.47 0.00 0.00 55.73 56.31 3jwd s ARG 419 Cb 0.08 0.18 0.08 0.00 -0.57 0.00 0.00 34.95 34.72 3jwd s ARG 419 CO 0.15 -0.10 1.12 0.42 -1.08 0.00 0.00 175.30 175.80 3jwd s ILE 420 N 1.64 2.87 -0.01 4.99 1.09 -1.26 -1.74 121.20 128.79 3jwd s ILE 420 Ca -0.08 0.30 -0.00 0.00 -1.10 0.00 0.00 60.65 59.77 3jwd s ILE 420 Cb -0.05 -2.65 0.01 0.00 -1.06 0.00 0.00 42.46 38.71 3jwd s ILE 420 CO -0.16 -0.36 0.02 -0.54 -0.10 0.00 0.00 174.94 173.80 3jwd s LYS 421 N -4.71 -0.00 0.11 2.79 1.02 -0.91 -4.90 119.74 113.13 3jwd s LYS 421 Ca 0.64 0.06 0.10 0.00 0.02 0.00 0.00 55.97 56.80 3jwd s LYS 421 Cb -0.20 -0.06 -0.16 0.00 -0.52 0.00 0.00 37.83 36.89 3jwd s LYS 421 CO 0.55 -0.05 1.13 1.96 -0.92 0.00 0.00 175.35 178.02 3jwd h GLN 422 N 6.45 0.00 -4.67 1.68 7.50 -1.90 -3.41 115.11 120.76 3jwd h GLN 422 Ca -0.30 0.00 -0.70 0.00 0.50 0.00 0.00 58.65 58.16 3jwd h GLN 422 Cb 1.19 0.00 -0.25 0.00 0.05 0.00 0.00 27.48 28.46 3jwd h GLN 422 CO 0.50 0.74 -0.56 0.42 -1.50 0.00 0.00 178.83 178.43 3jwd s ILE 423 N -2.75 4.32 0.11 2.54 1.01 -1.26 0.53 121.20 125.70 3jwd s ILE 423 Ca -0.00 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3jwd s ILE 423 Cb 0.09 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3jwd s ILE 423 CO 0.81 -0.13 -0.15 0.27 0.00 0.00 0.00 174.94 175.74 3jwd s ILE 424 N 1.52 1.30 0.47 2.92 -4.36 -0.08 -4.97 121.20 118.00 3jwd s ILE 424 Ca 0.02 -1.60 -0.21 0.00 -0.26 0.00 0.00 60.65 58.60 3jwd s ILE 424 Cb -0.19 -1.42 -0.09 0.00 1.25 0.00 0.00 42.46 42.02 3jwd s ILE 424 CO 0.05 -0.34 1.02 0.20 0.24 0.00 0.00 174.94 176.11 3jwd s ASN 425 N -2.23 6.49 0.22 4.36 0.01 -1.26 -0.56 114.94 121.97 3jwd s ASN 425 Ca 0.06 1.88 -0.17 0.00 -0.71 0.00 0.00 52.86 53.93 3jwd s ASN 425 Cb -0.07 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 38.96 3jwd s ASN 425 CO 0.03 -0.67 0.67 -0.04 -1.51 0.00 0.00 177.10 175.57 3jwd s MET 426 N -3.18 4.11 -0.17 -0.60 -1.94 0.21 -4.86 119.30 112.87 3jwd s MET 426 Ca 0.66 0.70 0.18 0.00 -1.71 0.00 0.00 55.69 55.52 3jwd s MET 426 Cb -0.15 -2.80 -0.26 0.00 2.01 0.00 0.00 34.83 33.63 3jwd s MET 426 CO 0.19 0.37 0.16 -2.67 -0.01 0.00 0.00 175.02 173.06 3jwd n TRP 427 N 0.51 0.05 0.00 -0.03 4.27 -1.26 -4.58 117.44 116.40 3jwd n TRP 427 Ca -0.02 0.02 -0.00 0.00 -3.89 0.00 0.00 57.50 53.61 3jwd n TRP 427 Cb 0.52 -0.94 -0.00 0.00 -1.36 0.00 0.00 31.31 29.53 3jwd n TRP 427 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 3jwd h GLN 428 N 0.00 -0.01 0.00 -2.67 7.50 -1.98 -3.47 115.11 114.48 3jwd h GLN 428 Ca -0.46 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.69 3jwd h GLN 428 Cb 2.06 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.59 3jwd h GLN 428 CO 0.03 -0.01 0.00 0.36 -1.50 0.00 0.00 178.83 177.71 3jwd n LYS 429 N -2.46 1.12 -2.83 1.46 2.85 -1.26 -5.13 118.16 111.91 3jwd n LYS 429 Ca -0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 3jwd n LYS 429 Cb 0.01 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.35 3jwd n LYS 429 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3jwd s VAL 430 N -1.04 4.88 0.00 0.58 1.01 -1.26 -4.45 120.40 120.13 3jwd s VAL 430 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.83 3jwd s VAL 430 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3jwd s VAL 430 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3jwd n GLY 431 N 2.88 0.92 3.54 4.51 0.00 -1.26 -4.66 105.19 111.11 3jwd n GLY 431 Ca 0.03 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 3jwd n GLY 431 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwd s LYS 432 N -1.67 1.80 -0.15 1.61 1.02 -0.75 -0.62 119.74 120.97 3jwd s LYS 432 Ca 0.00 -1.95 -0.16 0.00 0.02 0.00 0.00 55.97 53.88 3jwd s LYS 432 Cb 0.00 -1.56 0.04 0.00 -0.52 0.00 0.00 37.83 35.79 3jwd s LYS 432 CO 0.00 0.07 0.44 0.00 -0.92 0.00 0.00 175.35 174.94 3jwd s ALA 433 N -2.73 -1.10 -0.08 5.17 0.00 0.27 -1.42 121.76 121.88 3jwd s ALA 433 Ca 0.33 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.49 3jwd s ALA 433 Cb 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3jwd s ALA 433 CO 0.16 -0.22 -0.13 1.41 0.00 0.00 0.00 175.76 176.99 3jwd s MET 434 N 0.07 2.80 0.39 0.00 1.75 -0.71 -0.90 119.30 122.70 3jwd s MET 434 Ca -0.01 -0.67 0.08 0.00 -1.25 0.00 0.00 55.69 53.84 3jwd s MET 434 Cb -0.03 -2.49 -0.06 0.00 2.84 0.00 0.00 34.83 35.08 3jwd s MET 434 CO 0.01 0.51 0.05 0.71 -0.65 0.00 0.00 175.02 175.66 3jwd s TYR 435 N -0.43 2.54 0.86 4.11 2.02 0.19 0.40 117.35 127.04 3jwd s TYR 435 Ca 0.05 -0.58 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 3jwd s TYR 435 Cb -0.12 -1.73 0.10 0.00 -0.40 0.00 0.00 41.96 39.81 3jwd s TYR 435 CO 0.02 0.39 1.10 0.00 -1.57 0.00 0.00 175.55 175.48 3jwd s ALA 436 N -2.62 1.85 0.60 3.71 0.00 -1.26 -4.74 121.76 119.29 3jwd s ALA 436 Ca 0.37 -0.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 3jwd s ALA 436 Cb 0.05 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3jwd s ALA 436 CO 0.20 -2.09 1.11 -2.14 0.00 0.00 0.00 175.76 172.84 3jwd s PRO 437 N -5.04 3.08 0.73 0.00 0.02 -1.26 -4.89 135.00 127.63 3jwd s PRO 437 Ca 0.62 1.47 -0.16 0.00 0.02 0.00 0.00 61.00 62.96 3jwd s PRO 437 Cb -0.16 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 3jwd s PRO 437 CO 0.56 -1.05 0.76 -2.30 -0.33 0.00 0.00 177.00 174.64 3jwd n PRO 438 N -1.91 0.37 0.00 5.54 -0.02 -1.26 -5.02 135.00 132.70 3jwd n PRO 438 Ca 0.11 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3jwd n PRO 438 Cb 0.52 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3jwd n PRO 438 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3jwd n ILE 439 N -2.52 0.00 -2.68 4.25 5.41 -1.26 -5.00 119.36 117.57 3jwd n ILE 439 Ca 0.11 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.60 3jwd n ILE 439 Cb 0.50 -0.07 0.01 0.00 -0.71 0.00 0.00 39.64 39.36 3jwd n ILE 439 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3jwd s SER 440 N -1.00 6.09 0.17 4.38 0.15 -1.26 -5.01 113.70 117.21 3jwd s SER 440 Ca 0.00 0.79 -0.04 0.00 0.70 0.00 0.00 55.95 57.39 3jwd s SER 440 Cb 0.00 -2.05 0.05 0.00 -1.71 0.00 0.00 66.02 62.30 3jwd s SER 440 CO 0.00 -0.67 1.45 1.23 1.20 0.00 0.00 173.24 176.45 3jwd h GLY 441 N 0.20 0.60 -7.44 9.45 0.00 -1.98 -3.42 103.07 100.49 3jwd h GLY 441 Ca -0.47 -0.77 -0.51 0.00 0.00 0.00 0.00 47.33 45.58 3jwd h GLY 441 CO 0.61 0.69 1.25 1.62 0.00 0.00 0.00 176.54 180.71 3jwd s GLN 442 N -3.83 2.83 -0.38 4.80 0.74 -1.26 -4.42 119.66 118.14 3jwd s GLN 442 Ca -0.07 0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.64 3jwd s GLN 442 Cb 0.11 -4.33 0.12 0.00 1.10 0.00 0.00 33.01 30.01 3jwd s GLN 442 CO 0.85 -2.53 0.17 0.42 -0.55 0.00 0.00 175.29 173.65 3jwd s ILE 443 N 7.90 1.20 -0.14 -2.34 1.01 -1.26 -4.96 121.20 122.61 3jwd s ILE 443 Ca 0.56 -2.08 -0.04 0.00 0.00 0.00 0.00 60.65 59.09 3jwd s ILE 443 Cb -0.11 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 3jwd s ILE 443 CO 0.18 -0.80 -0.00 -0.13 0.00 0.00 0.00 174.94 174.19 3jwd s ARG 444 N 0.88 3.54 -0.11 2.79 1.81 -1.26 0.37 118.95 126.97 3jwd s ARG 444 Ca 0.14 -0.45 -0.04 0.00 -1.72 0.00 0.00 55.73 53.67 3jwd s ARG 444 Cb -0.21 -2.94 0.05 0.00 -0.45 0.00 0.00 34.95 31.39 3jwd s ARG 444 CO -0.09 0.38 0.12 0.00 -0.68 0.00 0.00 175.30 175.03 3jwd s SER 446 N 2.22 5.24 0.17 0.00 0.15 -1.26 -1.15 113.70 119.07 3jwd s SER 446 Ca 0.04 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.63 3jwd s SER 446 Cb -0.14 -1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 62.21 3jwd s SER 446 CO -0.07 0.07 -0.06 -0.44 1.20 0.00 0.00 173.24 173.94 3jwd s SER 447 N 0.99 1.69 -0.26 5.45 0.01 -1.05 -5.01 113.70 115.52 3jwd s SER 447 Ca 0.03 -1.09 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 3jwd s SER 447 Cb -0.14 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 3jwd s SER 447 CO 0.03 -0.42 0.11 0.20 0.41 0.00 0.00 173.24 173.57 3jwd s ASN 448 N -3.20 5.45 -0.59 2.44 0.01 -1.26 -1.36 114.94 116.43 3jwd s ASN 448 Ca 0.20 -0.14 -0.28 0.00 -0.71 0.00 0.00 52.86 51.94 3jwd s ASN 448 Cb 0.04 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.72 3jwd s ASN 448 CO 0.03 -0.04 1.42 -0.63 -1.51 0.00 0.00 177.10 176.37 3jwd s ILE 449 N 1.66 3.76 -0.56 0.60 1.01 0.13 -0.83 121.20 126.96 3jwd s ILE 449 Ca 0.07 0.61 0.14 0.00 0.00 0.00 0.00 60.65 61.47 3jwd s ILE 449 Cb -0.15 -4.47 -0.16 0.00 0.01 0.00 0.00 42.46 37.69 3jwd s ILE 449 CO 0.06 -1.24 0.55 0.35 0.00 0.00 0.00 174.94 174.66 3jwd n THR 450 N 6.82 0.00 -3.93 2.92 -2.24 -0.45 -1.66 114.28 115.74 3jwd n THR 450 Ca 0.12 -0.20 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 3jwd n THR 450 Cb 0.49 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 3jwd n THR 450 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3jwd s GLY 451 N -2.51 0.24 0.03 3.38 0.00 -1.05 -1.19 107.32 106.23 3jwd s GLY 451 Ca 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.16 3jwd s GLY 451 CO 0.57 -0.38 -0.05 1.08 0.00 0.00 0.00 173.10 174.32 3jwd s LEU 452 N -2.97 2.27 -0.33 0.66 1.02 -0.86 -0.52 118.68 117.95 3jwd s LEU 452 Ca 0.17 -0.56 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 3jwd s LEU 452 Cb -0.03 -0.01 0.06 0.00 0.02 0.00 0.00 46.19 46.23 3jwd s LEU 452 CO 0.07 -0.28 0.06 -0.76 0.02 0.00 0.00 176.35 175.46 3jwd s LEU 453 N -1.63 4.23 0.41 1.79 1.43 -0.19 -0.45 118.68 124.27 3jwd s LEU 453 Ca -0.12 -1.37 0.08 0.00 -1.03 0.00 0.00 54.13 51.69 3jwd s LEU 453 Cb -0.09 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3jwd s LEU 453 CO -0.01 -0.32 0.30 -0.76 0.23 0.00 0.00 176.35 175.78 3jwd s LEU 454 N 1.27 3.31 -0.00 1.79 1.43 -1.01 -0.37 118.68 125.10 3jwd s LEU 454 Ca -0.02 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.21 3jwd s LEU 454 Cb -0.20 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 3jwd s LEU 454 CO -0.01 -0.58 0.06 0.42 0.23 0.00 0.00 176.35 176.48 3jwd s THR 455 N -2.50 0.07 0.11 5.49 -4.23 -0.33 -0.85 115.64 113.40 3jwd s THR 455 Ca 0.45 -0.55 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 3jwd s THR 455 Cb -0.01 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 3jwd s THR 455 CO 0.26 -0.30 0.19 -0.60 -0.54 0.00 0.00 174.62 173.63 3jwd s ARG 456 N -0.96 3.24 -0.09 3.99 3.52 -1.26 -1.48 118.95 125.90 3jwd s ARG 456 Ca -0.11 -0.61 -0.06 0.00 -0.13 0.00 0.00 55.73 54.83 3jwd s ARG 456 Cb -0.06 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.42 3jwd s ARG 456 CO 0.00 0.55 -0.11 -0.25 -0.81 0.00 0.00 175.30 174.69 3jwd n ASP 457 N -0.02 1.10 0.00 -2.12 8.00 -0.74 -4.70 116.55 118.06 3jwd n ASP 457 Ca -0.07 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.91 3jwd n ASP 457 Cb 0.53 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3jwd n ASP 457 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jwd n GLY 458 N 1.66 2.15 0.00 0.44 0.00 -1.26 -4.88 105.19 103.30 3jwd n GLY 458 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3jwd n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwd n GLY 459 N 0.00 2.43 1.74 -0.02 0.00 -1.26 -4.54 105.19 103.54 3jwd n GLY 459 Ca 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 3jwd n GLY 459 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jwd n ASN 460 N 0.00 4.25 0.00 1.61 3.02 -1.26 -3.25 115.26 119.62 3jwd n ASN 460 Ca 0.00 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.38 3jwd n ASN 460 Cb 0.00 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 3jwd n ASN 460 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3jwd n SER 461 N 1.87 0.00 -4.56 6.41 3.41 -1.26 -5.03 113.62 114.46 3jwd n SER 461 Ca 0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.52 3jwd n SER 461 Cb 0.49 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 3jwd n SER 461 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3jwd s ASN 462 N -2.86 4.30 -0.00 4.04 -0.87 -1.20 -4.92 114.94 113.43 3jwd s ASN 462 Ca 0.00 -0.31 0.03 0.00 -1.57 0.00 0.00 52.86 51.01 3jwd s ASN 462 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 3jwd s ASN 462 CO 0.00 -3.54 -0.07 0.21 -2.57 0.00 0.00 177.10 171.12 3jwd s ASN 463 N 9.65 4.59 0.00 -1.22 2.47 -1.26 -4.55 114.94 124.61 3jwd s ASN 463 Ca 0.84 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.97 3jwd s ASN 463 Cb -0.10 -1.07 0.00 0.00 -1.45 0.00 0.00 41.25 38.63 3jwd s ASN 463 CO 0.06 0.29 0.00 -0.62 -3.72 0.00 0.00 177.10 173.11 3jwd n GLU 464 N 1.64 -0.15 -3.54 0.43 1.02 -1.26 -4.96 120.64 113.83 3jwd n GLU 464 Ca -0.16 0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 56.91 3jwd n GLU 464 Cb 0.53 -3.11 -0.04 0.00 -0.02 0.00 0.00 31.44 28.80 3jwd n GLU 464 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3jwd s SER 465 N -2.52 -0.43 0.05 1.62 1.04 -1.26 -2.07 113.70 110.13 3jwd s SER 465 Ca 0.00 0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.81 3jwd s SER 465 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3jwd s SER 465 CO 0.00 -0.50 -0.15 -1.61 0.98 0.00 0.00 173.24 171.96 3jwd s GLU 466 N -1.82 0.94 -0.10 4.02 0.41 0.30 -4.84 118.70 117.62 3jwd s GLU 466 Ca -0.01 -0.83 0.03 0.00 -0.41 0.00 0.00 54.97 53.75 3jwd s GLU 466 Cb -0.01 -0.96 -0.01 0.00 -1.78 0.00 0.00 34.13 31.38 3jwd s GLU 466 CO -0.00 0.23 -0.21 0.42 -0.49 0.00 0.00 175.26 175.20 3jwd s ILE 467 N -0.96 2.33 -0.06 -1.63 1.01 -1.26 -1.37 121.20 119.27 3jwd s ILE 467 Ca 0.01 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3jwd s ILE 467 Cb -0.08 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.48 3jwd s ILE 467 CO 0.02 0.56 -0.16 -0.36 0.00 0.00 0.00 174.94 174.99 3jwd s PHE 468 N 0.18 1.73 0.11 3.97 0.40 -0.09 -1.80 117.98 122.48 3jwd s PHE 468 Ca -0.12 -0.57 0.07 0.00 -0.60 0.00 0.00 56.93 55.71 3jwd s PHE 468 Cb -0.16 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 3jwd s PHE 468 CO 0.07 -0.23 -0.18 1.03 0.70 0.00 0.00 175.22 176.61 3jwd s ARG 469 N 0.26 1.07 0.83 0.44 0.52 -0.55 -1.43 118.95 120.09 3jwd s ARG 469 Ca -0.09 -1.17 -0.14 0.00 -0.52 0.00 0.00 55.73 53.82 3jwd s ARG 469 Cb -0.13 -1.21 0.05 0.00 0.52 0.00 0.00 34.95 34.18 3jwd s ARG 469 CO 0.03 0.27 0.89 -0.35 0.02 0.00 0.00 175.30 176.16 3jwd n PRO 470 N 0.93 0.06 0.00 3.54 -0.04 -1.26 -1.18 135.00 137.06 3jwd n PRO 470 Ca -0.18 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3jwd n PRO 470 Cb 0.55 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 3jwd n PRO 470 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3jwd n GLY 471 N 0.96 3.04 0.00 0.55 0.00 0.49 -4.62 105.19 105.62 3jwd n GLY 471 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3jwd n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwd n GLY 472 N 0.00 -0.59 0.00 -0.02 0.00 -1.26 -0.45 105.19 102.87 3jwd n GLY 472 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3jwd n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwd n GLY 473 N 0.00 3.57 3.59 -0.02 0.00 -1.26 -4.95 105.19 106.12 3jwd n GLY 473 Ca 0.00 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 3jwd n GLY 473 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jwd s ASP 474 N 0.00 6.10 0.11 1.61 -1.08 -1.26 -4.85 116.67 117.30 3jwd s ASP 474 Ca 0.00 0.64 0.12 0.00 -0.52 0.00 0.00 52.55 52.79 3jwd s ASP 474 Cb 0.00 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.48 3jwd s ASP 474 CO 0.00 -1.66 1.37 0.23 0.52 0.00 0.00 175.17 175.63 3jwd n MET 475 N 8.44 0.06 0.05 4.34 2.81 -1.26 -1.77 117.12 129.79 3jwd n MET 475 Ca 0.16 0.45 -0.03 0.00 -1.81 0.00 0.00 57.70 56.47 3jwd n MET 475 Cb 0.49 -1.66 0.20 0.00 -0.71 0.00 0.00 33.22 31.54 3jwd n MET 475 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jwd h ARG 476 N 0.00 0.38 -0.60 0.03 3.08 -1.97 -1.79 114.38 113.50 3jwd h ARG 476 Ca 0.00 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3jwd h ARG 476 Cb 0.12 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3jwd h ARG 476 CO 0.00 0.68 0.32 -0.44 -1.07 0.00 0.00 179.97 179.47 3jwd h ASP 477 N 0.32 0.74 -0.56 7.04 3.32 -1.76 0.31 116.42 125.83 3jwd h ASP 477 Ca 0.04 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3jwd h ASP 477 Cb 0.78 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3jwd h ASP 477 CO 0.06 0.61 0.29 0.78 -1.72 0.00 0.00 179.24 179.26 3jwd h ASN 478 N 0.84 0.72 -0.05 6.45 4.21 -1.47 -1.62 115.58 124.66 3jwd h ASN 478 Ca 0.21 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 3jwd h ASN 478 Cb 0.03 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.05 3jwd h ASN 478 CO -0.03 0.63 0.00 -0.50 -1.29 0.00 0.00 177.43 176.24 3jwd h TRP 479 N 0.76 0.09 0.00 1.19 -0.00 -0.73 -3.01 115.95 114.25 3jwd h TRP 479 Ca 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.07 3jwd h TRP 479 Cb 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.22 3jwd h TRP 479 CO -0.01 0.35 0.04 0.00 -0.00 0.00 0.00 178.44 178.82 3jwd h ARG 480 N -0.20 0.00 0.00 0.49 3.08 -0.19 0.16 114.38 117.73 3jwd h ARG 480 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3jwd h ARG 480 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3jwd h ARG 480 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3jwd n SER 481 N -2.68 0.40 -0.06 7.04 3.41 -0.63 -3.06 113.62 118.03 3jwd n SER 481 Ca -0.02 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 59.04 3jwd n SER 481 Cb 0.09 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.34 3jwd n SER 481 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jwd n GLU 482 N -1.89 0.27 -0.63 4.33 -0.58 0.37 -4.67 120.64 117.84 3jwd n GLU 482 Ca 0.05 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.78 3jwd n GLU 482 Cb 0.34 -1.07 0.04 0.00 -0.57 0.00 0.00 31.44 30.17 3jwd n GLU 482 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3jwd n LEU 483 N -3.20 5.43 0.06 -4.62 4.77 -0.04 -4.33 117.00 115.06 3jwd n LEU 483 Ca -0.22 -2.71 -0.00 0.00 -0.03 0.00 0.00 56.01 53.05 3jwd n LEU 483 Cb 0.69 -0.92 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 3jwd n LEU 483 CO 0.06 0.99 -0.10 0.10 -1.33 0.00 0.00 177.39 177.11 3jwd h TYR 484 N 0.97 0.00 -0.08 -1.77 -0.00 -1.79 -3.35 116.97 110.95 3jwd h TYR 484 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.92 3jwd h TYR 484 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.89 3jwd h TYR 484 CO 0.57 0.61 0.00 0.36 -0.00 0.00 0.00 178.16 179.70 3jwd n LYS 485 N -3.00 2.28 -3.19 0.10 2.85 -1.26 -4.57 118.16 111.36 3jwd n LYS 485 Ca -0.07 -1.87 -0.19 0.00 -1.05 0.00 0.00 58.31 55.13 3jwd n LYS 485 Cb 0.83 -1.47 0.01 0.00 -0.65 0.00 0.00 35.03 33.76 3jwd n LYS 485 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3jwd s TYR 486 N -1.93 2.37 0.00 5.58 1.51 -1.26 -0.89 117.35 122.73 3jwd s TYR 486 Ca 0.30 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3jwd s TYR 486 Cb 0.20 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 3jwd s TYR 486 CO 0.31 -0.54 0.00 1.17 -1.11 0.00 0.00 175.55 175.37 3jwd n LYS 487 N -1.88 0.00 -2.91 -0.62 4.81 -0.95 -4.90 118.16 111.72 3jwd n LYS 487 Ca 0.08 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.12 3jwd n LYS 487 Cb 0.61 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.60 3jwd n LYS 487 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3jwd s VAL 488 N 0.00 4.58 0.04 3.15 0.11 -1.26 -0.81 120.40 126.20 3jwd s VAL 488 Ca 0.00 1.78 0.03 0.00 -2.93 0.00 0.00 61.98 60.86 3jwd s VAL 488 Cb 0.00 -4.18 -0.02 0.00 -1.53 0.00 0.00 36.38 30.65 3jwd s VAL 488 CO 0.00 0.38 -0.10 0.54 -3.33 0.00 0.00 175.10 172.60 3jwd s VAL 489 N -0.27 0.73 -0.10 2.04 0.11 0.51 -3.47 120.40 119.95 3jwd s VAL 489 Ca 0.40 -0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 58.32 3jwd s VAL 489 Cb -0.22 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 3jwd s VAL 489 CO 0.26 -0.20 0.43 -0.75 -3.33 0.00 0.00 175.10 171.51 3jwd s LYS 490 N -1.28 4.26 -0.11 1.54 2.47 0.12 -1.32 119.74 125.41 3jwd s LYS 490 Ca -0.04 0.38 -0.13 0.00 -1.56 0.00 0.00 55.97 54.61 3jwd s LYS 490 Cb -0.08 -3.40 -0.05 0.00 -1.46 0.00 0.00 37.83 32.84 3jwd s LYS 490 CO 0.01 0.26 0.30 0.42 0.16 0.00 0.00 175.35 176.51 3jwd s ILE 491 N 0.30 5.27 0.30 5.43 1.01 -1.13 -0.74 121.20 131.63 3jwd s ILE 491 Ca 0.24 0.58 0.03 0.00 0.00 0.00 0.00 60.65 61.50 3jwd s ILE 491 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3jwd s ILE 491 CO 0.10 0.47 0.18 -1.83 0.00 0.00 0.00 174.94 173.85 3jwd s GLU 492 N -0.13 1.59 0.39 2.79 -1.05 -0.60 -4.93 118.70 116.76 3jwd s GLU 492 Ca 0.18 -1.91 -0.21 0.00 -0.15 0.00 0.00 54.97 52.89 3jwd s GLU 492 Cb -0.14 0.01 -0.15 0.00 -0.44 0.00 0.00 34.13 33.40 3jwd s GLU 492 CO 0.06 -0.48 0.10 -2.30 0.95 0.00 0.00 175.26 173.59 3jwd n PRO 493 N -0.57 0.00 -2.39 -4.83 -0.02 -1.26 -4.14 135.00 121.79 3jwd n PRO 493 Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 3jwd n PRO 493 Cb 0.64 -0.98 -0.02 0.00 -0.02 0.00 0.00 33.50 33.13 3jwd n PRO 493 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jwd s LEU 494 N 4.25 3.78 -0.03 2.45 1.43 -1.26 -4.24 118.68 125.06 3jwd s LEU 494 Ca 0.58 2.01 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 3jwd s LEU 494 Cb -0.63 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.00 3jwd s LEU 494 CO 0.62 -0.98 -0.23 -0.83 0.23 0.00 0.00 176.35 175.15 3jwd s GLY 495 N -1.97 1.34 0.45 -3.19 0.00 0.09 -4.93 107.32 99.11 3jwd s GLY 495 Ca 0.69 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 44.17 3jwd s GLY 495 CO 0.24 -0.87 0.90 -1.34 0.00 0.00 0.00 173.10 172.02 3jwd s VAL 496 N -0.62 4.58 0.02 1.40 -7.23 -1.26 -0.88 120.40 116.41 3jwd s VAL 496 Ca 0.10 1.11 -0.08 0.00 -1.81 0.00 0.00 61.98 61.30 3jwd s VAL 496 Cb -0.10 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 3jwd s VAL 496 CO -0.00 -0.50 0.30 0.00 -0.31 0.00 0.00 175.10 174.58 3jwd s ALA 497 N -2.38 3.81 1.02 1.32 0.00 -1.23 -4.92 121.76 119.38 3jwd s ALA 497 Ca 0.57 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 3jwd s ALA 497 Cb -0.10 -2.13 0.06 0.00 0.00 0.00 0.00 23.12 20.96 3jwd s ALA 497 CO 0.25 0.62 0.32 -2.30 0.00 0.00 0.00 175.76 174.65 3jwd n PRO 498 N 1.15 -0.76 -3.82 0.00 -0.02 -1.26 -4.87 135.00 125.42 3jwd n PRO 498 Ca -0.11 -0.50 -0.24 0.00 -2.02 0.00 0.00 63.50 60.63 3jwd n PRO 498 Cb 0.53 -0.37 -0.17 0.00 -0.02 0.00 0.00 33.50 33.46 3jwd n PRO 498 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3jwd s THR 499 N -1.66 0.53 0.04 3.45 -4.23 -1.26 -5.10 115.64 107.41 3jwd s THR 499 Ca 0.19 0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 3jwd s THR 499 Cb -0.01 -0.65 -0.02 0.00 1.34 0.00 0.00 72.50 73.16 3jwd s THR 499 CO 0.14 0.28 0.03 -0.54 -0.54 0.00 0.00 174.62 173.99 3jwd s LYS 500 N 1.86 0.56 0.00 3.99 1.02 -1.26 -5.34 119.74 120.57 3jwd s LYS 500 Ca 0.04 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.12 3jwd s LYS 500 Cb -0.12 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 3jwd s LYS 500 CO -0.06 -0.12 0.00 0.00 -0.92 0.00 0.00 175.35 174.25