#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jz4 s LEU 2 N 0.00 4.24 0.20 3.14 1.02 -1.26 -5.02 118.68 121.00 3jz4 s LEU 2 Ca 0.00 0.34 -0.08 0.00 0.02 0.00 0.00 54.13 54.40 3jz4 s LEU 2 Cb 0.00 -2.32 0.13 0.00 0.02 0.00 0.00 46.19 44.02 3jz4 s LEU 2 CO 0.00 0.32 1.74 0.78 0.02 0.00 0.00 176.35 179.21 3jz4 h ASN 3 N 4.33 1.08 -3.71 2.29 2.35 -1.98 -3.37 115.58 116.58 3jz4 h ASN 3 Ca -0.51 -0.21 -0.67 0.00 -0.55 0.00 0.00 56.30 54.36 3jz4 h ASN 3 Cb 1.20 -0.28 -0.37 0.00 0.05 0.00 0.00 38.32 38.91 3jz4 h ASN 3 CO 0.63 1.00 -0.71 -0.62 -1.65 0.00 0.00 177.43 176.09 3jz4 s ASP 4 N -6.40 4.80 0.49 5.81 -1.08 -1.26 -4.99 116.67 114.04 3jz4 s ASP 4 Ca -0.12 -1.84 0.27 0.00 -0.52 0.00 0.00 52.55 50.33 3jz4 s ASP 4 Cb 0.15 -1.66 1.25 0.00 -1.46 0.00 0.00 42.92 41.20 3jz4 s ASP 4 CO 0.84 -0.35 1.97 0.77 0.52 0.00 0.00 175.17 178.92 3jz4 h SER 5 N 7.78 0.00 0.21 -0.34 4.64 -1.99 -2.85 113.55 121.01 3jz4 h SER 5 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3jz4 h SER 5 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3jz4 h SER 5 CO 0.54 0.16 0.00 0.59 -0.87 0.00 0.00 176.83 177.25 3jz4 n ASN 6 N -3.49 0.00 0.14 4.97 3.02 -1.26 -2.34 115.26 116.30 3jz4 n ASN 6 Ca -0.01 -0.18 0.02 0.00 -0.03 0.00 0.00 54.58 54.38 3jz4 n ASN 6 Cb 0.32 -0.18 0.10 0.00 -0.61 0.00 0.00 39.78 39.41 3jz4 n ASN 6 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3jz4 h LEU 7 N 0.00 0.00 -8.62 3.41 3.38 -1.89 -3.42 115.31 108.16 3jz4 h LEU 7 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3jz4 h LEU 7 Cb 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 3jz4 h LEU 7 CO 0.00 0.55 0.73 0.12 0.09 0.00 0.00 178.44 179.93 3jz4 s PHE 8 N -3.13 2.81 -0.06 1.13 5.36 -0.99 -4.02 117.98 119.08 3jz4 s PHE 8 Ca 0.02 0.37 0.05 0.00 -0.96 0.00 0.00 56.93 56.41 3jz4 s PHE 8 Cb 0.09 -4.20 -0.02 0.00 -0.34 0.00 0.00 43.02 38.55 3jz4 s PHE 8 CO 0.74 -1.29 -0.20 1.03 -1.46 0.00 0.00 175.22 174.05 3jz4 s ARG 9 N 4.18 2.60 -0.15 10.12 1.81 -1.26 -5.00 118.95 131.25 3jz4 s ARG 9 Ca 0.39 -0.80 0.15 0.00 -1.72 0.00 0.00 55.73 53.75 3jz4 s ARG 9 Cb -0.09 -2.29 0.32 0.00 -0.45 0.00 0.00 34.95 32.43 3jz4 s ARG 9 CO 0.26 0.47 1.17 1.04 -0.68 0.00 0.00 175.30 177.55 3jz4 n GLN 10 N 2.74 1.27 -4.15 3.54 6.02 -1.26 -4.83 117.38 120.70 3jz4 n GLN 10 Ca -0.17 -2.72 -0.13 0.00 -0.01 0.00 0.00 57.00 53.97 3jz4 n GLN 10 Cb 0.52 -1.44 -0.11 0.00 1.02 0.00 0.00 30.24 30.24 3jz4 n GLN 10 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3jz4 s GLN 11 N -2.75 0.78 0.60 -1.09 -0.21 -1.26 -4.21 119.66 111.51 3jz4 s GLN 11 Ca 0.32 -1.15 -0.08 0.00 0.02 0.00 0.00 55.36 54.47 3jz4 s GLN 11 Cb 0.30 -0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.94 3jz4 s GLN 11 CO -0.01 0.03 0.95 0.00 -2.12 0.00 0.00 175.29 174.14 3jz4 s ALA 12 N -2.71 3.19 -0.29 6.09 0.00 -0.53 -4.78 121.76 122.73 3jz4 s ALA 12 Ca 0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 3jz4 s ALA 12 Cb -0.01 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.36 3jz4 s ALA 12 CO -0.02 -0.74 -0.04 -1.17 0.00 0.00 0.00 175.76 173.79 3jz4 s LEU 13 N -5.06 3.76 -0.14 0.00 2.96 -0.55 -1.04 118.68 118.62 3jz4 s LEU 13 Ca 0.54 -1.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.12 3jz4 s LEU 13 Cb -0.11 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 44.95 3jz4 s LEU 13 CO 0.49 -0.24 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.54 3jz4 s ILE 14 N 1.20 1.30 -1.41 6.68 1.01 -0.47 -0.97 121.20 128.54 3jz4 s ILE 14 Ca -0.06 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 3jz4 s ILE 14 Cb -0.20 -1.29 0.04 0.00 0.01 0.00 0.00 42.46 41.02 3jz4 s ILE 14 CO -0.02 0.38 1.06 -3.20 0.00 0.00 0.00 174.94 173.16 3jz4 n ASN 15 N 4.85 -5.12 0.00 3.58 5.15 -1.26 -1.63 115.26 120.83 3jz4 n ASN 15 Ca -0.14 -0.66 0.00 0.00 -0.60 0.00 0.00 54.58 53.18 3jz4 n ASN 15 Cb 0.50 -4.53 0.00 0.00 -0.53 0.00 0.00 39.78 35.21 3jz4 n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3jz4 n GLY 16 N -1.80 1.28 3.54 8.20 0.00 -1.26 -4.46 105.19 110.69 3jz4 n GLY 16 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3jz4 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jz4 s GLU 17 N -0.01 2.83 -0.21 1.61 0.41 -0.65 -5.04 118.70 117.64 3jz4 s GLU 17 Ca 0.00 -0.58 -0.26 0.00 -0.41 0.00 0.00 54.97 53.72 3jz4 s GLU 17 Cb 0.00 -2.59 -0.01 0.00 -1.78 0.00 0.00 34.13 29.76 3jz4 s GLU 17 CO 0.00 0.59 0.88 -1.58 -0.49 0.00 0.00 175.26 174.66 3jz4 s TRP 18 N -0.61 3.36 0.06 1.61 0.52 -1.26 -1.37 118.94 121.25 3jz4 s TRP 18 Ca 0.09 1.27 0.04 0.00 0.02 0.00 0.00 56.10 57.52 3jz4 s TRP 18 Cb -0.12 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.08 3jz4 s TRP 18 CO 0.02 -0.36 -0.11 -0.51 0.02 0.00 0.00 176.95 176.01 3jz4 s LEU 19 N 2.65 2.28 0.65 2.99 1.43 -0.20 -4.93 118.68 123.55 3jz4 s LEU 19 Ca 0.39 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3jz4 s LEU 19 Cb -0.16 -0.33 0.04 0.00 0.03 0.00 0.00 46.19 45.78 3jz4 s LEU 19 CO 0.09 -0.16 0.94 -1.81 0.23 0.00 0.00 176.35 175.64 3jz4 s ASP 20 N -1.76 5.07 0.61 2.29 1.01 -1.26 -1.45 116.67 121.18 3jz4 s ASP 20 Ca -0.05 0.41 -0.19 0.00 0.71 0.00 0.00 52.55 53.43 3jz4 s ASP 20 Cb -0.09 -1.18 -0.03 0.00 1.01 0.00 0.00 42.92 42.64 3jz4 s ASP 20 CO 0.01 -1.39 1.31 0.00 0.21 0.00 0.00 175.17 175.31 3jz4 s ALA 21 N -3.09 2.54 0.29 5.23 0.00 -1.26 -4.92 121.76 120.55 3jz4 s ALA 21 Ca 0.58 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.83 3jz4 s ALA 21 Cb -0.11 -3.55 0.72 0.00 0.00 0.00 0.00 23.12 20.18 3jz4 s ALA 21 CO 0.43 -1.49 1.70 -0.91 0.00 0.00 0.00 175.76 175.49 3jz4 h ASN 22 N 0.88 0.37 -0.23 0.00 2.35 -1.94 -1.89 115.58 115.12 3jz4 h ASN 22 Ca -0.51 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3jz4 h ASN 22 Cb 1.32 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.81 3jz4 h ASN 22 CO 0.55 0.02 0.00 -0.46 -1.65 0.00 0.00 177.43 175.89 3jz4 n ASN 23 N -5.02 2.05 -0.03 5.81 0.23 -1.26 -4.95 115.26 112.09 3jz4 n ASN 23 Ca 0.22 -1.79 -0.00 0.00 -0.53 0.00 0.00 54.58 52.47 3jz4 n ASN 23 Cb 0.64 -0.15 -0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3jz4 n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jz4 n GLY 24 N 1.20 0.16 3.78 4.83 0.00 -0.71 -5.00 105.19 109.44 3jz4 n GLY 24 Ca 0.16 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3jz4 n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jz4 s GLU 25 N -1.56 4.25 0.12 1.61 2.02 -1.26 -4.89 118.70 118.99 3jz4 s GLU 25 Ca 0.00 1.60 0.04 0.00 0.02 0.00 0.00 54.97 56.63 3jz4 s GLU 25 Cb 0.00 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 3jz4 s GLU 25 CO 0.00 -0.08 -0.11 0.00 0.02 0.00 0.00 175.26 175.09 3jz4 s ALA 26 N -1.53 1.29 -0.25 5.21 0.00 -1.26 -0.78 121.76 124.43 3jz4 s ALA 26 Ca 0.55 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 3jz4 s ALA 26 Cb -0.25 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3jz4 s ALA 26 CO 0.31 -0.04 0.10 0.42 0.00 0.00 0.00 175.76 176.55 3jz4 s ILE 27 N -2.75 4.66 0.33 0.00 1.01 0.11 -4.74 121.20 119.82 3jz4 s ILE 27 Ca 0.10 -0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 3jz4 s ILE 27 Cb -0.01 -3.18 -0.09 0.00 0.01 0.00 0.00 42.46 39.19 3jz4 s ILE 27 CO 0.00 0.33 1.18 -1.81 0.00 0.00 0.00 174.94 174.65 3jz4 s ASP 28 N 1.47 6.90 -0.13 3.58 1.01 -1.26 -1.35 116.67 126.90 3jz4 s ASP 28 Ca 0.06 2.41 0.02 0.00 0.71 0.00 0.00 52.55 55.76 3jz4 s ASP 28 Cb -0.15 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3jz4 s ASP 28 CO 0.05 -0.42 -0.21 -0.69 0.21 0.00 0.00 175.17 174.12 3jz4 s VAL 29 N -1.24 2.21 0.23 -1.27 1.01 0.14 -4.95 120.40 116.54 3jz4 s VAL 29 Ca 0.50 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.63 3jz4 s VAL 29 Cb -0.34 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3jz4 s VAL 29 CO 0.44 0.55 -0.04 0.42 0.00 0.00 0.00 175.10 176.46 3jz4 s THR 30 N 0.68 3.34 -0.32 3.92 -4.23 -1.26 -0.35 115.64 117.41 3jz4 s THR 30 Ca -0.10 -1.83 -0.26 0.00 -1.18 0.00 0.00 61.69 58.32 3jz4 s THR 30 Cb -0.16 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.95 3jz4 s THR 30 CO 0.01 -0.28 0.92 0.21 -0.54 0.00 0.00 174.62 174.94 3jz4 s ASN 31 N -3.36 6.78 0.33 3.99 3.84 0.66 -4.77 114.94 122.41 3jz4 s ASN 31 Ca 0.29 0.82 0.25 0.00 0.21 0.00 0.00 52.86 54.43 3jz4 s ASN 31 Cb -0.07 -2.47 1.18 0.00 -0.55 0.00 0.00 41.25 39.34 3jz4 s ASN 31 CO 0.18 -0.74 1.75 1.55 -2.79 0.00 0.00 177.10 177.05 3jz4 h PRO 32 N 8.13 0.00 0.00 0.43 0.13 -1.79 0.71 132.00 139.61 3jz4 h PRO 32 Ca -0.23 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 3jz4 h PRO 32 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3jz4 h PRO 32 CO 0.95 0.00 -0.48 0.00 -0.23 0.00 0.00 178.00 178.25 3jz4 h ALA 33 N 2.12 0.75 0.00 -0.56 0.00 -1.90 -3.40 119.26 116.27 3jz4 h ALA 33 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3jz4 h ALA 33 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3jz4 h ALA 33 CO 0.00 0.60 0.00 0.27 0.00 0.00 0.00 179.25 180.12 3jz4 n ASN 34 N -3.30 0.00 0.00 0.00 0.23 -0.99 -4.95 115.26 106.26 3jz4 n ASN 34 Ca 0.01 -0.28 0.00 0.00 -0.53 0.00 0.00 54.58 53.78 3jz4 n ASN 34 Cb 0.68 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.38 3jz4 n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jz4 n GLY 35 N 0.00 0.94 3.77 4.83 0.00 0.24 -5.01 105.19 109.96 3jz4 n GLY 35 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3jz4 n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jz4 s ASP 36 N -3.03 6.33 0.00 1.61 1.01 -1.25 -4.62 116.67 116.72 3jz4 s ASP 36 Ca 0.00 3.05 -0.30 0.00 0.71 0.00 0.00 52.55 56.01 3jz4 s ASP 36 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 3jz4 s ASP 36 CO 0.00 -0.90 1.40 -0.75 0.21 0.00 0.00 175.17 175.13 3jz4 s LYS 37 N -1.78 4.28 -0.04 8.23 2.20 -1.26 -0.24 119.74 131.12 3jz4 s LYS 37 Ca 0.55 1.97 0.09 0.00 -0.36 0.00 0.00 55.97 58.21 3jz4 s LYS 37 Cb -0.47 -3.57 -0.24 0.00 -1.51 0.00 0.00 37.83 32.04 3jz4 s LYS 37 CO 0.61 -0.57 0.68 -0.07 -0.36 0.00 0.00 175.35 175.63 3jz4 h LEU 38 N 8.34 0.08 0.00 5.43 3.38 -1.02 -3.47 115.31 128.05 3jz4 h LEU 38 Ca -0.38 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3jz4 h LEU 38 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3jz4 h LEU 38 CO 0.90 1.15 0.00 0.61 0.09 0.00 0.00 178.44 181.19 3jz4 n GLY 39 N 1.61 -0.30 3.50 0.83 0.00 -1.18 -5.03 105.19 104.62 3jz4 n GLY 39 Ca -0.18 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 3jz4 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jz4 s SER 40 N -4.00 -0.14 0.10 1.61 1.04 -1.26 -0.68 113.70 110.36 3jz4 s SER 40 Ca 0.00 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.79 3jz4 s SER 40 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 3jz4 s SER 40 CO 0.00 -1.04 -0.09 0.68 0.98 0.00 0.00 173.24 173.77 3jz4 s VAL 41 N -3.93 0.89 0.37 5.02 -7.23 -0.45 -4.48 120.40 110.59 3jz4 s VAL 41 Ca 0.14 -1.69 -0.27 0.00 -1.81 0.00 0.00 61.98 58.35 3jz4 s VAL 41 Cb 0.00 -1.40 -0.11 0.00 0.56 0.00 0.00 36.38 35.42 3jz4 s VAL 41 CO 0.01 -0.61 1.36 -2.65 -0.31 0.00 0.00 175.10 172.89 3jz4 n PRO 42 N 0.45 2.29 -3.07 4.82 -0.02 -1.26 0.09 135.00 138.31 3jz4 n PRO 42 Ca -0.15 0.80 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 3jz4 n PRO 42 Cb 0.58 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3jz4 n PRO 42 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3jz4 n LYS 43 N 0.39 3.67 -2.03 -0.52 4.81 0.04 -3.37 118.16 121.15 3jz4 n LYS 43 Ca 0.04 -4.21 -0.29 0.00 -0.87 0.00 0.00 58.31 52.98 3jz4 n LYS 43 Cb 0.38 -2.72 0.05 0.00 0.02 0.00 0.00 35.03 32.76 3jz4 n LYS 43 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3jz4 s MET 44 N -0.59 2.80 0.00 1.64 -1.94 -0.32 -4.78 119.30 116.11 3jz4 s MET 44 Ca 0.35 0.29 0.00 0.00 -1.71 0.00 0.00 55.69 54.63 3jz4 s MET 44 Cb -0.03 -2.09 0.00 0.00 2.01 0.00 0.00 34.83 34.72 3jz4 s MET 44 CO -0.02 -0.99 0.00 0.41 -0.01 0.00 0.00 175.02 174.42 3jz4 n GLY 45 N -2.91 5.48 0.19 -0.03 0.00 -1.26 -3.96 105.19 102.69 3jz4 n GLY 45 Ca 0.06 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.65 3jz4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jz4 h ALA 46 N 1.00 0.56 0.05 4.61 0.00 -1.93 -2.20 119.26 121.36 3jz4 h ALA 46 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jz4 h ALA 46 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3jz4 h ALA 46 CO 0.00 -0.05 -0.24 -0.44 0.00 0.00 0.00 179.25 178.52 3jz4 h ASP 47 N 0.54 -0.70 -0.19 0.00 3.45 -1.97 0.21 116.42 117.76 3jz4 h ASP 47 Ca 0.17 0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.59 3jz4 h ASP 47 Cb 0.00 0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3jz4 h ASP 47 CO -0.07 -0.32 -0.37 -0.33 -1.57 0.00 0.00 179.24 176.57 3jz4 h GLU 48 N -0.40 0.71 -0.75 3.56 3.07 -1.95 -1.61 114.58 117.20 3jz4 h GLU 48 Ca 0.05 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 3jz4 h GLU 48 Cb 0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 3jz4 h GLU 48 CO -0.18 0.97 0.44 1.15 -1.40 0.00 0.00 179.01 179.99 3jz4 h THR 49 N 0.59 1.22 -0.45 1.13 2.02 -1.07 0.77 112.91 117.12 3jz4 h THR 49 Ca 0.05 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 3jz4 h THR 49 Cb 0.91 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3jz4 h THR 49 CO 0.08 0.24 0.21 -0.09 0.37 0.00 0.00 175.52 176.33 3jz4 h ARG 50 N 1.04 0.65 -0.58 6.66 2.43 -0.31 0.30 114.38 124.56 3jz4 h ARG 50 Ca 0.27 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3jz4 h ARG 50 Cb -0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3jz4 h ARG 50 CO -0.05 0.56 0.27 0.00 -1.51 0.00 0.00 179.97 179.25 3jz4 h ALA 51 N 1.05 1.39 -0.39 2.80 0.00 -0.98 -0.87 119.26 122.26 3jz4 h ALA 51 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3jz4 h ALA 51 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3jz4 h ALA 51 CO -0.02 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 3jz4 h ALA 52 N 1.48 0.53 -0.45 0.00 0.00 -0.25 -1.52 119.26 119.06 3jz4 h ALA 52 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3jz4 h ALA 52 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3jz4 h ALA 52 CO -0.03 0.34 0.23 0.82 0.00 0.00 0.00 179.25 180.62 3jz4 h ILE 53 N 0.54 1.17 -0.81 0.00 2.04 -0.61 -0.77 117.51 119.07 3jz4 h ILE 53 Ca 0.11 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3jz4 h ILE 53 Cb 0.52 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3jz4 h ILE 53 CO 0.03 0.18 0.51 -0.78 0.00 0.00 0.00 178.15 178.08 3jz4 h ASP 54 N 0.59 0.95 -0.68 1.72 3.58 -1.12 -0.23 116.42 121.23 3jz4 h ASP 54 Ca 0.16 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3jz4 h ASP 54 Cb 0.08 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 3jz4 h ASP 54 CO -0.02 0.72 0.29 0.00 -2.88 0.00 0.00 179.24 177.34 3jz4 h ALA 55 N 1.27 0.88 -0.70 -0.78 0.00 -1.05 -0.41 119.26 118.48 3jz4 h ALA 55 Ca 0.29 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3jz4 h ALA 55 Cb -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3jz4 h ALA 55 CO -0.06 0.49 0.16 0.00 0.00 0.00 0.00 179.25 179.84 3jz4 h ALA 56 N 1.13 0.92 -0.63 0.00 0.00 -0.78 -1.42 119.26 118.47 3jz4 h ALA 56 Ca 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3jz4 h ALA 56 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3jz4 h ALA 56 CO -0.02 0.65 0.27 -0.97 0.00 0.00 0.00 179.25 179.18 3jz4 h ASN 57 N 1.06 0.85 -0.23 0.00 -1.24 -0.84 -2.51 115.58 112.68 3jz4 h ASN 57 Ca 0.22 -0.16 -0.13 0.00 0.71 0.00 0.00 56.30 56.95 3jz4 h ASN 57 Cb 0.38 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 3jz4 h ASN 57 CO 0.00 0.77 -0.30 -0.09 -1.29 0.00 0.00 177.43 176.53 3jz4 h ARG 58 N 0.88 0.73 0.00 6.67 9.65 -0.86 -3.00 114.38 128.44 3jz4 h ARG 58 Ca 0.21 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3jz4 h ARG 58 Cb 0.17 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 3jz4 h ARG 58 CO -0.02 0.93 -0.01 0.00 2.80 0.00 0.00 179.97 183.67 3jz4 n ALA 59 N -2.51 2.31 0.07 2.80 0.00 -0.56 -4.30 120.51 118.32 3jz4 n ALA 59 Ca -0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 3jz4 n ALA 59 Cb 0.47 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 3jz4 n ALA 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3jz4 h LEU 60 N 0.00 -0.10 -0.89 0.00 5.85 -1.30 -2.63 115.31 116.24 3jz4 h LEU 60 Ca 0.00 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.72 3jz4 h LEU 60 Cb 0.68 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 3jz4 h LEU 60 CO 0.00 0.05 0.52 -0.65 -0.34 0.00 0.00 178.44 178.02 3jz4 h PRO 61 N -0.24 0.81 0.00 5.25 0.11 -1.76 0.35 132.00 136.52 3jz4 h PRO 61 Ca -0.01 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.90 3jz4 h PRO 61 Cb 0.20 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3jz4 h PRO 61 CO 0.02 0.54 -0.73 0.00 -0.21 0.00 0.00 178.00 177.61 3jz4 h ALA 62 N 1.50 0.71 -0.02 -0.75 0.00 -1.82 -0.95 119.26 117.92 3jz4 h ALA 62 Ca 0.44 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3jz4 h ALA 62 Cb 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3jz4 h ALA 62 CO -0.27 0.92 -0.14 2.35 0.00 0.00 0.00 179.25 182.10 3jz4 h TRP 63 N 0.00 0.18 -0.92 0.00 2.91 -1.07 -3.11 115.95 113.94 3jz4 h TRP 63 Ca -0.01 -0.09 0.15 0.00 1.13 0.00 0.00 58.89 60.07 3jz4 h TRP 63 Cb 1.36 -0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 29.91 3jz4 h TRP 63 CO 0.00 0.81 0.59 -0.09 -1.03 0.00 0.00 178.44 178.72 3jz4 h ARG 64 N -0.50 0.72 0.00 2.65 2.43 -0.97 -2.85 114.38 115.85 3jz4 h ARG 64 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3jz4 h ARG 64 Cb 0.84 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3jz4 h ARG 64 CO 0.03 0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.96 3jz4 n ALA 65 N -2.41 2.20 -1.04 2.80 0.00 -0.36 -4.84 120.51 116.86 3jz4 n ALA 65 Ca 0.18 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 3jz4 n ALA 65 Cb 0.47 -1.46 0.13 0.00 0.00 0.00 0.00 19.45 18.59 3jz4 n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3jz4 s LEU 66 N -4.27 3.06 0.72 0.00 1.43 -1.08 -5.01 118.68 113.53 3jz4 s LEU 66 Ca 0.10 2.20 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 3jz4 s LEU 66 Cb 0.13 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.81 3jz4 s LEU 66 CO 0.56 -2.62 1.08 0.42 0.23 0.00 0.00 176.35 176.02 3jz4 s THR 67 N -2.42 3.55 0.31 5.49 -4.23 -1.26 -4.91 115.64 112.16 3jz4 s THR 67 Ca 0.69 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 61.79 3jz4 s THR 67 Cb -0.24 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 70.77 3jz4 s THR 67 CO 0.53 -0.60 1.88 0.00 -0.54 0.00 0.00 174.62 175.88 3jz4 h ALA 68 N -0.69 1.61 -0.50 3.99 0.00 -1.95 -2.13 119.26 119.59 3jz4 h ALA 68 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3jz4 h ALA 68 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3jz4 h ALA 68 CO 0.54 0.19 0.01 -0.22 0.00 0.00 0.00 179.25 179.77 3jz4 h LYS 69 N 0.92 0.88 -0.16 0.00 3.64 -1.93 0.13 116.57 120.04 3jz4 h LYS 69 Ca 0.44 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 3jz4 h LYS 69 Cb 0.44 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3jz4 h LYS 69 CO -0.20 0.90 -0.40 1.05 -2.27 0.00 0.00 179.45 178.54 3jz4 h GLU 70 N 0.74 0.37 -0.53 1.90 4.11 -1.86 0.12 114.58 119.43 3jz4 h GLU 70 Ca 0.14 -0.17 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 3jz4 h GLU 70 Cb 0.50 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3jz4 h GLU 70 CO 0.02 0.71 0.19 0.00 0.07 0.00 0.00 179.01 180.00 3jz4 h ARG 71 N 0.31 0.80 -0.87 1.06 3.08 -1.25 -2.61 114.38 114.89 3jz4 h ARG 71 Ca 0.03 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 59.98 3jz4 h ARG 71 Cb 0.83 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.70 3jz4 h ARG 71 CO 0.07 0.72 0.55 0.00 -1.07 0.00 0.00 179.97 180.23 3jz4 h ALA 72 N 1.04 1.18 -0.06 0.04 0.00 -0.27 -0.27 119.26 120.92 3jz4 h ALA 72 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3jz4 h ALA 72 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3jz4 h ALA 72 CO -0.01 0.32 -0.03 1.15 0.00 0.00 0.00 179.25 180.69 3jz4 h THR 73 N 1.02 0.91 -0.16 0.00 2.02 -0.65 0.11 112.91 116.16 3jz4 h THR 73 Ca 0.37 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.54 3jz4 h THR 73 Cb 0.12 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3jz4 h THR 73 CO -0.16 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.19 3jz4 h ILE 74 N -0.02 1.16 -0.73 3.11 2.04 -1.10 -1.16 117.51 120.80 3jz4 h ILE 74 Ca 0.03 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3jz4 h ILE 74 Cb 0.07 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3jz4 h ILE 74 CO -0.08 0.15 0.27 -0.07 0.00 0.00 0.00 178.15 178.42 3jz4 h LEU 75 N 0.10 1.03 -1.14 1.44 3.38 -0.97 -1.82 115.31 117.33 3jz4 h LEU 75 Ca 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3jz4 h LEU 75 Cb 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3jz4 h LEU 75 CO -0.00 0.94 0.38 -0.09 0.09 0.00 0.00 178.44 179.76 3jz4 h ARG 76 N 1.06 0.98 -0.88 1.13 2.43 -0.65 0.21 114.38 118.67 3jz4 h ARG 76 Ca 0.24 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3jz4 h ARG 76 Cb 0.25 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 3jz4 h ARG 76 CO -0.02 0.72 0.57 -0.91 -1.51 0.00 0.00 179.97 178.83 3jz4 h ASN 77 N 0.99 0.95 -0.11 -3.80 2.35 -0.67 0.13 115.58 115.41 3jz4 h ASN 77 Ca 0.25 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3jz4 h ASN 77 Cb 0.03 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 3jz4 h ASN 77 CO -0.04 0.65 0.05 -0.25 -1.65 0.00 0.00 177.43 176.19 3jz4 h TRP 78 N 1.11 0.16 -0.13 1.19 7.01 -0.55 -1.19 115.95 123.55 3jz4 h TRP 78 Ca 0.35 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.38 3jz4 h TRP 78 Cb -0.01 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 26.96 3jz4 h TRP 78 CO -0.02 0.24 -0.15 0.35 -2.79 0.00 0.00 178.44 176.07 3jz4 h PHE 79 N 0.03 -0.39 -0.79 2.65 3.57 -0.55 -1.38 116.94 120.08 3jz4 h PHE 79 Ca 0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3jz4 h PHE 79 Cb 0.15 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 3jz4 h PHE 79 CO -0.02 -0.22 0.49 -0.91 -2.23 0.00 0.00 178.31 175.41 3jz4 h ASN 80 N -0.19 0.78 -0.66 0.41 2.35 -0.68 -2.03 115.58 115.56 3jz4 h ASN 80 Ca 0.10 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3jz4 h ASN 80 Cb 0.33 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3jz4 h ASN 80 CO -0.25 0.51 0.18 -0.07 -1.65 0.00 0.00 177.43 176.16 3jz4 h LEU 81 N 0.92 0.98 -0.78 1.61 3.38 -0.91 0.02 115.31 120.53 3jz4 h LEU 81 Ca 0.34 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3jz4 h LEU 81 Cb 0.12 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3jz4 h LEU 81 CO -0.15 0.95 0.48 0.24 0.09 0.00 0.00 178.44 180.04 3jz4 h MET 82 N 0.97 0.87 -0.22 1.13 2.86 -0.73 -0.41 114.93 119.39 3jz4 h MET 82 Ca 0.21 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.59 3jz4 h MET 82 Cb 0.34 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3jz4 h MET 82 CO -0.00 0.58 -0.66 0.52 1.06 0.00 0.00 176.91 178.41 3jz4 h MET 83 N 0.90 0.83 -0.63 1.72 2.86 -1.03 -2.21 114.93 117.38 3jz4 h MET 83 Ca 0.33 -0.59 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 3jz4 h MET 83 Cb 0.11 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3jz4 h MET 83 CO -0.15 1.22 0.38 1.49 1.06 0.00 0.00 176.91 180.91 3jz4 h GLU 84 N 0.61 0.72 -0.76 1.72 4.81 -0.73 -2.82 114.58 118.13 3jz4 h GLU 84 Ca -0.02 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 3jz4 h GLU 84 Cb 1.27 -0.16 -0.10 0.00 0.63 0.00 0.00 28.75 30.39 3jz4 h GLU 84 CO 0.14 0.48 0.22 0.72 -0.73 0.00 0.00 179.01 179.84 3jz4 n HIS 85 N -4.73 2.27 -0.21 0.92 8.25 -0.19 -4.67 115.22 116.86 3jz4 n HIS 85 Ca 0.06 -1.06 0.02 0.00 -0.26 0.00 0.00 57.72 56.48 3jz4 n HIS 85 Cb 0.09 -0.64 0.12 0.00 1.12 0.00 0.00 29.99 30.69 3jz4 n HIS 85 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3jz4 h GLN 86 N 2.68 0.23 -0.33 -0.41 4.15 -1.13 -1.74 115.11 118.56 3jz4 h GLN 86 Ca 0.22 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 3jz4 h GLN 86 Cb 2.19 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.81 3jz4 h GLN 86 CO 0.67 0.15 0.17 -0.44 -1.93 0.00 0.00 178.83 177.45 3jz4 h ASP 87 N 0.24 0.42 -0.58 -0.69 3.32 -1.86 -0.40 116.42 116.87 3jz4 h ASP 87 Ca 0.34 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3jz4 h ASP 87 Cb 0.54 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3jz4 h ASP 87 CO -0.45 0.40 0.30 0.44 -1.72 0.00 0.00 179.24 178.21 3jz4 h ASP 88 N 0.41 0.73 -0.57 6.45 3.32 -1.85 -1.91 116.42 122.99 3jz4 h ASP 88 Ca 0.12 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 3jz4 h ASP 88 Cb 0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3jz4 h ASP 88 CO -0.02 0.63 0.06 -0.07 -1.72 0.00 0.00 179.24 178.12 3jz4 h LEU 89 N 0.78 0.96 -0.32 1.55 3.38 -1.00 -1.11 115.31 119.55 3jz4 h LEU 89 Ca 0.20 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3jz4 h LEU 89 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3jz4 h LEU 89 CO -0.03 0.98 0.03 0.00 0.09 0.00 0.00 178.44 179.52 3jz4 h ALA 90 N 1.12 0.43 -0.14 1.53 0.00 -0.95 -2.10 119.26 119.14 3jz4 h ALA 90 Ca 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3jz4 h ALA 90 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3jz4 h ALA 90 CO 0.02 0.15 0.05 -0.09 0.00 0.00 0.00 179.25 179.38 3jz4 h ARG 91 N 0.36 0.12 -0.76 0.00 2.43 -1.04 -0.13 114.38 115.38 3jz4 h ARG 91 Ca 0.09 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 3jz4 h ARG 91 Cb 0.38 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 3jz4 h ARG 91 CO 0.01 0.08 0.41 1.25 -1.51 0.00 0.00 179.97 180.21 3jz4 h LEU 92 N 0.13 0.57 -0.20 3.80 5.85 -1.19 -0.56 115.31 123.70 3jz4 h LEU 92 Ca 0.06 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3jz4 h LEU 92 Cb 0.03 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3jz4 h LEU 92 CO -0.05 0.33 -0.09 -0.03 -0.34 0.00 0.00 178.44 178.25 3jz4 h MET 93 N 0.70 0.42 -0.61 1.25 4.05 -0.95 -2.38 114.93 117.41 3jz4 h MET 93 Ca 0.37 -0.18 0.04 0.00 -0.28 0.00 0.00 59.70 59.64 3jz4 h MET 93 Cb 0.34 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.09 3jz4 h MET 93 CO -0.25 0.71 0.35 1.15 0.23 0.00 0.00 176.91 179.10 3jz4 h THR 94 N 0.12 1.02 -0.47 -0.77 2.02 -0.62 0.11 112.91 114.31 3jz4 h THR 94 Ca 0.05 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3jz4 h THR 94 Cb 0.58 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3jz4 h THR 94 CO 0.03 0.12 0.31 -0.07 0.37 0.00 0.00 175.52 176.28 3jz4 h LEU 95 N 0.68 0.55 0.08 2.58 3.38 -1.05 -0.30 115.31 121.24 3jz4 h LEU 95 Ca 0.26 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.91 3jz4 h LEU 95 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3jz4 h LEU 95 CO -0.13 0.40 -1.56 1.05 0.09 0.00 0.00 178.44 178.29 3jz4 h GLU 96 N 0.64 0.17 0.00 1.13 4.11 -1.23 -3.38 114.58 116.02 3jz4 h GLU 96 Ca 0.17 -0.30 -0.19 0.00 0.07 0.00 0.00 59.36 59.12 3jz4 h GLU 96 Cb -0.06 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3jz4 h GLU 96 CO -0.04 0.98 -1.88 0.00 0.07 0.00 0.00 179.01 178.14 3jz4 n GLN 97 N -3.36 1.41 0.00 1.06 -0.00 0.35 -4.50 117.38 112.34 3jz4 n GLN 97 Ca -0.16 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.80 3jz4 n GLN 97 Cb 1.03 -1.36 0.00 0.00 -0.00 0.00 0.00 30.24 29.92 3jz4 n GLN 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3jz4 n GLY 98 N 2.02 2.28 3.73 2.61 0.00 -0.12 -4.63 105.19 111.07 3jz4 n GLY 98 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3jz4 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jz4 s LYS 99 N -0.26 2.35 0.47 1.61 -2.85 -1.26 -4.05 119.74 115.76 3jz4 s LYS 99 Ca 0.00 1.93 -0.23 0.00 -1.00 0.00 0.00 55.97 56.67 3jz4 s LYS 99 Cb 0.00 -1.84 -0.09 0.00 -2.06 0.00 0.00 37.83 33.84 3jz4 s LYS 99 CO 0.00 -1.72 1.01 -2.30 0.10 0.00 0.00 175.35 172.44 3jz4 n PRO 100 N -2.28 1.28 -0.34 1.78 -0.02 -1.26 -4.51 135.00 129.64 3jz4 n PRO 100 Ca 0.15 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.20 3jz4 n PRO 100 Cb 0.49 -2.10 0.29 0.00 -0.02 0.00 0.00 33.50 32.15 3jz4 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3jz4 h LEU 101 N 1.29 0.73 -0.86 2.45 5.85 -1.44 -0.57 115.31 122.76 3jz4 h LEU 101 Ca -0.46 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 3jz4 h LEU 101 Cb 1.34 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3jz4 h LEU 101 CO 0.55 0.28 0.18 0.00 -0.34 0.00 0.00 178.44 179.11 3jz4 h ALA 102 N 1.61 1.07 -0.66 1.25 0.00 -1.89 0.31 119.26 120.95 3jz4 h ALA 102 Ca 0.54 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3jz4 h ALA 102 Cb 0.79 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3jz4 h ALA 102 CO -0.37 0.62 0.10 0.93 0.00 0.00 0.00 179.25 180.54 3jz4 h GLU 103 N 0.98 1.10 -0.43 0.00 5.08 -1.51 -1.30 114.58 118.50 3jz4 h GLU 103 Ca 0.21 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3jz4 h GLU 103 Cb 0.32 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3jz4 h GLU 103 CO -0.00 1.01 0.07 0.00 -1.00 0.00 0.00 179.01 179.09 3jz4 h ALA 104 N 1.04 0.58 -0.73 3.43 0.00 -0.64 0.05 119.26 122.99 3jz4 h ALA 104 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jz4 h ALA 104 Cb 0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3jz4 h ALA 104 CO 0.01 0.30 0.48 0.87 0.00 0.00 0.00 179.25 180.91 3jz4 h LYS 105 N 0.58 0.97 -0.51 0.00 1.57 -0.88 -0.79 116.57 117.51 3jz4 h LYS 105 Ca 0.13 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3jz4 h LYS 105 Cb 0.38 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3jz4 h LYS 105 CO 0.01 0.65 0.28 0.78 -0.57 0.00 0.00 179.45 180.60 3jz4 h GLY 106 N 1.00 0.72 1.29 3.86 0.00 -1.06 -2.51 103.07 106.36 3jz4 h GLY 106 Ca 0.27 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 3jz4 h GLY 106 CO -0.06 0.15 0.13 -2.09 0.00 0.00 0.00 176.54 174.68 3jz4 h GLU 107 N 0.55 0.89 -0.42 4.80 4.81 -0.32 -1.53 114.58 123.37 3jz4 h GLU 107 Ca 0.22 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3jz4 h GLU 107 Cb 0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3jz4 h GLU 107 CO -0.13 0.80 0.27 0.82 -0.73 0.00 0.00 179.01 180.04 3jz4 h ILE 108 N 0.85 1.09 -0.48 2.32 1.08 -0.92 0.45 117.51 121.90 3jz4 h ILE 108 Ca 0.18 -0.19 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 3jz4 h ILE 108 Cb 0.32 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 3jz4 h ILE 108 CO -0.00 0.10 0.18 -1.28 -0.69 0.00 0.00 178.15 176.46 3jz4 h SER 109 N 0.54 0.67 -0.09 1.72 0.87 -1.13 0.20 113.55 116.34 3jz4 h SER 109 Ca 0.16 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3jz4 h SER 109 Cb -0.04 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 3jz4 h SER 109 CO -0.05 0.67 0.01 0.22 -0.53 0.00 0.00 176.83 177.15 3jz4 h TYR 110 N 0.63 0.17 -0.30 2.24 3.20 -1.09 -2.09 116.97 119.73 3jz4 h TYR 110 Ca 0.16 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.06 3jz4 h TYR 110 Cb 0.22 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 3jz4 h TYR 110 CO 0.01 0.39 -0.03 0.00 -1.64 0.00 0.00 178.16 176.89 3jz4 h ALA 111 N 0.76 0.24 -0.70 1.82 0.00 0.11 -2.13 119.26 119.37 3jz4 h ALA 111 Ca 0.03 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3jz4 h ALA 111 Cb 0.32 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3jz4 h ALA 111 CO 0.00 -0.43 0.46 0.00 0.00 0.00 0.00 179.25 179.28 3jz4 h ALA 112 N 1.28 1.72 0.00 0.00 0.00 -0.56 -2.61 119.26 119.10 3jz4 h ALA 112 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3jz4 h ALA 112 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3jz4 h ALA 112 CO -0.27 0.17 -0.11 0.66 0.00 0.00 0.00 179.25 179.70 3jz4 h SER 113 N 0.73 0.00 -0.59 0.00 4.64 -0.67 -1.47 113.55 116.19 3jz4 h SER 113 Ca 0.30 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 3jz4 h SER 113 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3jz4 h SER 113 CO -0.10 0.11 -0.01 -0.26 -0.87 0.00 0.00 176.83 175.69 3jz4 h PHE 114 N 0.00 1.15 -0.22 4.77 0.04 -1.47 0.73 116.94 121.94 3jz4 h PHE 114 Ca -0.00 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 3jz4 h PHE 114 Cb 0.21 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 3jz4 h PHE 114 CO 0.00 1.02 0.10 0.82 -0.60 0.00 0.00 178.31 179.65 3jz4 h ILE 115 N 0.95 1.16 -0.01 -0.55 1.08 -1.37 -1.68 117.51 117.09 3jz4 h ILE 115 Ca 0.17 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3jz4 h ILE 115 Cb 0.57 1.05 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 3jz4 h ILE 115 CO 0.03 0.15 0.00 -0.08 -0.69 0.00 0.00 178.15 177.57 3jz4 h GLU 116 N 0.22 0.01 -0.46 2.37 4.81 -1.34 -1.12 114.58 119.07 3jz4 h GLU 116 Ca 0.08 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 3jz4 h GLU 116 Cb 0.15 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 3jz4 h GLU 116 CO -0.01 0.13 0.12 2.35 -0.73 0.00 0.00 179.01 180.87 3jz4 h TRP 117 N -0.11 0.20 0.00 0.92 2.91 -0.79 -2.24 115.95 116.84 3jz4 h TRP 117 Ca 0.00 0.03 -0.20 0.00 1.13 0.00 0.00 58.89 59.85 3jz4 h TRP 117 Cb 0.12 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 3jz4 h TRP 117 CO -0.04 0.03 -0.88 0.74 -1.03 0.00 0.00 178.44 177.27 3jz4 h PHE 118 N 0.26 0.34 -0.79 2.65 -1.00 -1.27 -0.31 116.94 116.82 3jz4 h PHE 118 Ca 0.23 -0.18 0.18 0.00 2.81 0.00 0.00 57.97 61.01 3jz4 h PHE 118 Cb 0.27 -0.04 -0.12 0.00 3.61 0.00 0.00 35.95 39.68 3jz4 h PHE 118 CO -0.20 0.99 0.20 0.00 -1.61 0.00 0.00 178.31 177.70 3jz4 h ALA 119 N 0.95 1.06 -0.32 2.45 0.00 -0.93 0.62 119.26 123.09 3jz4 h ALA 119 Ca -0.05 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3jz4 h ALA 119 Cb 1.50 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3jz4 h ALA 119 CO 0.14 -0.37 -0.41 0.93 0.00 0.00 0.00 179.25 179.54 3jz4 h GLU 120 N 0.26 0.84 -0.16 0.00 5.08 -1.07 -3.29 114.58 116.24 3jz4 h GLU 120 Ca 0.46 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3jz4 h GLU 120 Cb 0.83 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3jz4 h GLU 120 CO -0.55 1.11 -0.34 1.49 -1.00 0.00 0.00 179.01 179.72 3jz4 h GLU 121 N 0.62 0.34 -0.72 2.33 4.57 -0.28 -2.67 114.58 118.76 3jz4 h GLU 121 Ca 0.04 -0.14 0.21 0.00 -1.18 0.00 0.00 59.36 58.28 3jz4 h GLU 121 Cb 1.00 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 3jz4 h GLU 121 CO 0.10 0.64 0.53 0.78 -1.18 0.00 0.00 179.01 179.88 3jz4 h GLY 122 N 1.11 0.00 1.10 1.92 0.00 -0.97 0.21 103.07 106.45 3jz4 h GLY 122 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3jz4 h GLY 122 CO 0.06 0.00 -0.02 0.28 0.00 0.00 0.00 176.54 176.86 3jz4 n LYS 123 N -4.28 0.78 -0.97 4.80 5.02 -1.01 -3.83 118.16 118.67 3jz4 n LYS 123 Ca 0.14 -0.10 0.05 0.00 -2.02 0.00 0.00 58.31 56.39 3jz4 n LYS 123 Cb 0.80 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.44 3jz4 n LYS 123 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jz4 n ARG 124 N -1.03 0.89 -2.57 1.97 1.74 0.74 -4.96 116.66 113.44 3jz4 n ARG 124 Ca 0.18 -2.70 -0.41 0.00 -0.77 0.00 0.00 57.85 54.15 3jz4 n ARG 124 Cb 0.20 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 3jz4 n ARG 124 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jz4 s ILE 125 N -1.81 3.80 -0.23 0.55 1.01 -1.18 -4.99 121.20 118.36 3jz4 s ILE 125 Ca 0.36 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.98 3jz4 s ILE 125 Cb 0.37 -4.93 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 3jz4 s ILE 125 CO -0.11 -1.85 0.43 -0.31 0.00 0.00 0.00 174.94 173.10 3jz4 s TYR 126 N 5.48 3.33 0.33 3.97 2.02 -1.26 -4.91 117.35 126.30 3jz4 s TYR 126 Ca 0.36 0.60 -0.05 0.00 -0.37 0.00 0.00 57.07 57.61 3jz4 s TYR 126 Cb -0.07 -2.59 0.07 0.00 -0.40 0.00 0.00 41.96 38.97 3jz4 s TYR 126 CO 0.10 -0.12 0.45 0.41 -1.57 0.00 0.00 175.55 174.82 3jz4 n GLY 127 N 4.17 -1.05 3.18 0.71 0.00 -1.26 -4.82 105.19 106.12 3jz4 n GLY 127 Ca -0.07 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 3jz4 n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jz4 s ASP 128 N -2.65 1.41 -0.02 1.61 1.01 0.51 -4.97 116.67 113.58 3jz4 s ASP 128 Ca 0.26 -0.87 0.04 0.00 0.71 0.00 0.00 52.55 52.68 3jz4 s ASP 128 Cb -0.01 0.03 -0.03 0.00 1.01 0.00 0.00 42.92 43.92 3jz4 s ASP 128 CO 0.18 -0.31 -0.12 0.42 0.21 0.00 0.00 175.17 175.54 3jz4 s THR 129 N -2.79 3.23 -0.06 -1.27 -4.23 -1.26 -0.54 115.64 108.72 3jz4 s THR 129 Ca 0.08 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 3jz4 s THR 129 Cb -0.01 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.51 3jz4 s THR 129 CO -0.01 0.50 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.78 3jz4 s ILE 130 N -0.84 1.40 0.25 2.99 1.01 -0.74 -5.00 121.20 120.27 3jz4 s ILE 130 Ca 0.13 -0.66 -0.31 0.00 0.00 0.00 0.00 60.65 59.81 3jz4 s ILE 130 Cb -0.11 -1.23 -0.13 0.00 0.01 0.00 0.00 42.46 41.00 3jz4 s ILE 130 CO 0.03 0.41 1.42 -2.65 0.00 0.00 0.00 174.94 174.15 3jz4 n PRO 131 N 3.48 2.09 -2.00 2.79 -0.02 -1.26 -3.92 135.00 136.15 3jz4 n PRO 131 Ca -0.20 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 3jz4 n PRO 131 Cb 0.52 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 3jz4 n PRO 131 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3jz4 s GLY 132 N 0.28 2.10 0.47 -1.23 0.00 -1.26 -4.92 107.32 102.75 3jz4 s GLY 132 Ca 0.67 0.38 0.27 0.00 0.00 0.00 0.00 44.72 46.04 3jz4 s GLY 132 CO 0.50 0.70 1.77 1.12 0.00 0.00 0.00 173.10 177.19 3jz4 h HIS 133 N 0.35 0.00 -3.99 1.90 2.07 -1.90 -3.45 115.15 110.14 3jz4 h HIS 133 Ca -0.47 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 56.85 3jz4 h HIS 133 Cb 1.22 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 31.02 3jz4 h HIS 133 CO 0.59 0.06 -0.70 -0.65 -3.07 0.00 0.00 177.93 174.15 3jz4 s GLN 134 N -3.42 0.60 0.52 5.12 -0.21 -1.26 -5.05 119.66 115.96 3jz4 s GLN 134 Ca 0.04 -1.01 0.23 0.00 0.02 0.00 0.00 55.36 54.64 3jz4 s GLN 134 Cb 0.07 -0.08 1.43 0.00 1.00 0.00 0.00 33.01 35.43 3jz4 s GLN 134 CO 0.62 -0.03 2.12 0.00 -2.12 0.00 0.00 175.29 175.89 3jz4 h ALA 135 N 3.76 1.57 -0.59 6.09 0.00 -2.03 -2.11 119.26 125.94 3jz4 h ALA 135 Ca -0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3jz4 h ALA 135 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3jz4 h ALA 135 CO 0.54 0.10 0.03 -0.40 0.00 0.00 0.00 179.25 179.52 3jz4 n ASP 136 N -4.01 5.65 -4.27 0.00 5.75 -1.26 -4.92 116.55 113.49 3jz4 n ASP 136 Ca -0.03 -2.96 -0.26 0.00 -0.01 0.00 0.00 54.79 51.54 3jz4 n ASP 136 Cb 0.17 -0.69 -0.14 0.00 -1.03 0.00 0.00 41.12 39.43 3jz4 n ASP 136 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3jz4 s LYS 137 N -2.78 1.35 -0.03 0.11 -0.14 -0.79 -0.31 119.74 117.15 3jz4 s LYS 137 Ca 0.54 -1.01 0.03 0.00 -1.36 0.00 0.00 55.97 54.18 3jz4 s LYS 137 Cb 0.42 -1.52 -0.00 0.00 -1.68 0.00 0.00 37.83 35.05 3jz4 s LYS 137 CO 0.16 0.38 -0.13 1.03 -0.76 0.00 0.00 175.35 176.03 3jz4 s ARG 138 N -1.37 1.30 -0.17 1.68 1.81 -0.32 -4.49 118.95 117.39 3jz4 s ARG 138 Ca 0.08 -0.45 -0.01 0.00 -1.72 0.00 0.00 55.73 53.62 3jz4 s ARG 138 Cb -0.09 -1.18 -0.01 0.00 -0.45 0.00 0.00 34.95 33.22 3jz4 s ARG 138 CO 0.02 0.19 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.21 3jz4 s LEU 139 N 0.05 2.64 -0.03 2.53 1.43 -1.25 -0.53 118.68 123.51 3jz4 s LEU 139 Ca -0.02 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3jz4 s LEU 139 Cb -0.09 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.51 3jz4 s LEU 139 CO 0.01 0.08 -0.10 -0.63 0.23 0.00 0.00 176.35 175.94 3jz4 s ILE 140 N 0.88 0.86 -0.17 -0.59 1.01 -0.25 -1.78 121.20 121.16 3jz4 s ILE 140 Ca -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 3jz4 s ILE 140 Cb -0.15 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 3jz4 s ILE 140 CO -0.00 0.27 -0.11 -0.69 0.00 0.00 0.00 174.94 174.41 3jz4 s VAL 141 N 0.32 3.04 0.26 2.92 1.01 0.30 0.11 120.40 128.35 3jz4 s VAL 141 Ca -0.06 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.39 3jz4 s VAL 141 Cb -0.10 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 3jz4 s VAL 141 CO 0.01 0.49 -0.12 0.27 0.00 0.00 0.00 175.10 175.75 3jz4 s ILE 142 N 0.87 2.91 -0.14 2.22 -4.36 -0.54 -0.36 121.20 121.80 3jz4 s ILE 142 Ca -0.03 -2.10 0.02 0.00 -0.26 0.00 0.00 60.65 58.28 3jz4 s ILE 142 Cb -0.15 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.06 3jz4 s ILE 142 CO 0.00 -0.33 -0.21 -0.54 0.24 0.00 0.00 174.94 174.10 3jz4 s LYS 143 N -3.41 2.95 0.12 0.37 1.02 -1.26 -0.12 119.74 119.41 3jz4 s LYS 143 Ca 0.29 -0.83 0.08 0.00 0.02 0.00 0.00 55.97 55.53 3jz4 s LYS 143 Cb -0.06 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 3jz4 s LYS 143 CO 0.16 -0.04 -0.19 -0.65 -0.92 0.00 0.00 175.35 173.72 3jz4 s GLN 144 N 0.87 1.12 0.31 1.68 -0.21 -0.56 -4.93 119.66 117.93 3jz4 s GLN 144 Ca -0.06 -1.21 -0.29 0.00 0.02 0.00 0.00 55.36 53.82 3jz4 s GLN 144 Cb -0.15 -1.26 -0.13 0.00 1.00 0.00 0.00 33.01 32.47 3jz4 s GLN 144 CO -0.03 0.28 1.30 -0.35 -2.12 0.00 0.00 175.29 174.37 3jz4 n PRO 145 N 0.85 2.03 0.23 2.91 -0.04 -1.25 -0.16 135.00 139.57 3jz4 n PRO 145 Ca -0.18 0.72 0.08 0.00 -0.04 0.00 0.00 63.50 64.08 3jz4 n PRO 145 Cb 0.55 -2.30 0.53 0.00 -0.04 0.00 0.00 33.50 32.24 3jz4 n PRO 145 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3jz4 h ILE 146 N 2.64 0.81 0.00 0.52 2.10 -1.58 -3.42 117.51 118.59 3jz4 h ILE 146 Ca -0.45 -0.93 0.00 0.00 1.08 0.00 0.00 64.86 64.56 3jz4 h ILE 146 Cb 1.29 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 38.58 3jz4 h ILE 146 CO 0.66 0.23 0.00 0.61 -1.08 0.00 0.00 178.15 178.57 3jz4 n GLY 147 N -0.42 0.20 3.72 8.18 0.00 -1.26 -4.86 105.19 110.74 3jz4 n GLY 147 Ca -0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3jz4 n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jz4 s VAL 148 N -0.24 4.30 0.15 1.61 1.01 -1.26 -2.87 120.40 123.09 3jz4 s VAL 148 Ca 0.00 1.75 0.09 0.00 0.00 0.00 0.00 61.98 63.82 3jz4 s VAL 148 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3jz4 s VAL 148 CO 0.00 0.19 -0.20 0.42 0.00 0.00 0.00 175.10 175.51 3jz4 s THR 149 N 0.61 1.88 0.03 3.92 -4.23 0.01 -1.19 115.64 116.67 3jz4 s THR 149 Ca 0.53 -1.83 0.09 0.00 -1.18 0.00 0.00 61.69 59.30 3jz4 s THR 149 Cb -0.26 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 3jz4 s THR 149 CO 0.30 -0.21 -0.26 0.00 -0.54 0.00 0.00 174.62 173.91 3jz4 s ALA 150 N -1.73 2.24 -0.03 3.99 0.00 0.37 -1.25 121.76 125.35 3jz4 s ALA 150 Ca 0.14 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3jz4 s ALA 150 Cb -0.07 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3jz4 s ALA 150 CO 0.06 0.53 -0.08 0.00 0.00 0.00 0.00 175.76 176.28 3jz4 s ALA 151 N -0.76 0.79 -0.14 0.00 0.00 -0.60 -0.96 121.76 120.08 3jz4 s ALA 151 Ca 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3jz4 s ALA 151 Cb -0.10 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3jz4 s ALA 151 CO 0.01 0.10 -0.17 0.42 0.00 0.00 0.00 175.76 176.12 3jz4 s ILE 152 N 0.37 1.71 0.07 0.00 1.01 -0.36 -0.08 121.20 123.93 3jz4 s ILE 152 Ca -0.06 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 59.93 3jz4 s ILE 152 Cb -0.10 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3jz4 s ILE 152 CO 0.01 0.48 -0.22 0.42 0.00 0.00 0.00 174.94 175.63 3jz4 s THR 153 N 1.20 1.77 0.67 2.92 -4.23 -0.81 -2.31 115.64 114.85 3jz4 s THR 153 Ca -0.00 -1.38 -0.04 0.00 -1.18 0.00 0.00 61.69 59.09 3jz4 s THR 153 Cb -0.14 -1.56 0.14 0.00 1.34 0.00 0.00 72.50 72.28 3jz4 s THR 153 CO -0.07 0.12 0.91 -0.81 -0.54 0.00 0.00 174.62 174.23 3jz4 n PRO 154 N 1.50 -0.31 0.01 3.99 -0.04 -1.23 -1.79 135.00 137.13 3jz4 n PRO 154 Ca -0.18 -2.10 0.11 0.00 -0.04 0.00 0.00 63.50 61.29 3jz4 n PRO 154 Cb 0.53 -0.72 0.12 0.00 -0.04 0.00 0.00 33.50 33.39 3jz4 n PRO 154 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3jz4 n TRP 155 N -2.88 0.09 0.06 0.54 4.27 -1.26 -4.43 117.44 113.84 3jz4 n TRP 155 Ca 0.14 0.03 -0.12 0.00 -3.89 0.00 0.00 57.50 53.66 3jz4 n TRP 155 Cb 0.49 -0.27 -0.13 0.00 -1.36 0.00 0.00 31.31 30.04 3jz4 n TRP 155 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3jz4 h ASN 156 N 0.00 0.19 -2.92 -0.67 -1.07 -1.96 -3.36 115.58 105.79 3jz4 h ASN 156 Ca 0.00 -0.23 -0.61 0.00 0.07 0.00 0.00 56.30 55.53 3jz4 h ASN 156 Cb 0.56 -0.06 -0.41 0.00 -2.07 0.00 0.00 38.32 36.34 3jz4 h ASN 156 CO 0.00 1.19 -0.72 -0.36 0.07 0.00 0.00 177.43 177.61 3jz4 s PHE 157 N -2.66 2.65 -0.21 4.14 0.08 -1.26 -5.00 117.98 115.70 3jz4 s PHE 157 Ca -0.03 -2.95 0.28 0.00 0.12 0.00 0.00 56.93 54.35 3jz4 s PHE 157 Cb 0.08 -2.07 1.20 0.00 -0.57 0.00 0.00 43.02 41.67 3jz4 s PHE 157 CO 0.84 -0.66 1.82 -1.35 -0.10 0.00 0.00 175.22 175.78 3jz4 h PRO 158 N 5.59 0.00 0.00 0.24 0.11 -1.79 -2.34 132.00 133.82 3jz4 h PRO 158 Ca 0.17 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.92 3jz4 h PRO 158 Cb 0.82 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.87 3jz4 h PRO 158 CO 0.59 0.00 -2.25 0.00 -0.21 0.00 0.00 178.00 176.13 3jz4 n ALA 159 N -1.88 1.54 -0.09 -0.75 0.00 -1.26 -4.06 120.51 114.01 3jz4 n ALA 159 Ca 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 3jz4 n ALA 159 Cb 0.22 0.15 0.18 0.00 0.00 0.00 0.00 19.45 20.00 3jz4 n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jz4 h ALA 160 N -0.57 1.14 -0.50 0.00 0.00 -1.80 -2.20 119.26 115.33 3jz4 h ALA 160 Ca -0.54 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 3jz4 h ALA 160 Cb 1.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3jz4 h ALA 160 CO -0.27 0.55 0.18 0.52 0.00 0.00 0.00 179.25 180.24 3jz4 h MET 161 N 0.70 0.73 0.88 0.00 2.86 -1.71 -0.69 114.93 117.70 3jz4 h MET 161 Ca 0.14 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3jz4 h MET 161 Cb 0.44 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.98 3jz4 h MET 161 CO 0.02 0.62 -0.42 0.82 1.06 0.00 0.00 176.91 179.00 3jz4 h ILE 162 N 0.72 0.00 0.00 -1.22 1.08 -1.65 -3.31 117.51 113.13 3jz4 h ILE 162 Ca 0.17 -0.07 -0.05 0.00 -0.39 0.00 0.00 64.86 64.52 3jz4 h ILE 162 Cb 0.18 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.92 3jz4 h ILE 162 CO -0.01 0.00 -0.23 0.71 -0.69 0.00 0.00 178.15 177.92 3jz4 h THR 163 N -1.25 0.83 0.00 -0.27 1.35 -1.27 0.49 112.91 112.78 3jz4 h THR 163 Ca -0.12 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3jz4 h THR 163 Cb 0.91 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3jz4 h THR 163 CO 0.20 0.23 0.00 0.03 -0.25 0.00 0.00 175.52 175.73 3jz4 h ARG 164 N 0.00 0.00 0.00 4.72 3.08 -1.22 -1.60 114.38 119.36 3jz4 h ARG 164 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3jz4 h ARG 164 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3jz4 h ARG 164 CO 0.03 0.00 -1.62 1.63 -1.07 0.00 0.00 179.97 178.94 3jz4 n LYS 165 N -2.64 0.24 -0.18 0.04 5.02 -0.68 -4.57 118.16 115.40 3jz4 n LYS 165 Ca 0.00 0.09 -0.06 0.00 -2.02 0.00 0.00 58.31 56.32 3jz4 n LYS 165 Cb 0.19 -0.99 0.10 0.00 -0.02 0.00 0.00 35.03 34.32 3jz4 n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jz4 h ALA 166 N -0.29 1.01 0.04 7.82 0.00 -1.02 -2.47 119.26 124.35 3jz4 h ALA 166 Ca -0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3jz4 h ALA 166 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3jz4 h ALA 166 CO -0.13 0.62 -0.16 0.78 0.00 0.00 0.00 179.25 180.36 3jz4 h GLY 167 N 1.01 -1.19 1.62 0.00 0.00 -1.50 -0.54 103.07 102.47 3jz4 h GLY 167 Ca 0.18 0.56 -0.05 0.00 0.00 0.00 0.00 47.33 48.01 3jz4 h GLY 167 CO 0.01 -0.40 -0.03 -0.56 0.00 0.00 0.00 176.54 175.57 3jz4 h PRO 168 N -0.23 0.48 0.20 4.80 0.13 -1.77 -1.66 132.00 133.94 3jz4 h PRO 168 Ca -0.00 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3jz4 h PRO 168 Cb 0.23 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3jz4 h PRO 168 CO -0.09 0.53 -0.09 0.00 -0.23 0.00 0.00 178.00 178.12 3jz4 h ALA 169 N 1.52 -0.26 -0.24 -0.56 0.00 -1.30 -0.10 119.26 118.31 3jz4 h ALA 169 Ca 0.10 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3jz4 h ALA 169 Cb 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3jz4 h ALA 169 CO 0.01 -0.63 -0.37 -0.07 0.00 0.00 0.00 179.25 178.20 3jz4 h LEU 170 N -0.31 0.57 -1.05 0.00 3.38 -1.00 -0.06 115.31 116.84 3jz4 h LEU 170 Ca -0.03 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3jz4 h LEU 170 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3jz4 h LEU 170 CO 0.04 0.89 -0.47 0.00 0.09 0.00 0.00 178.44 178.99 3jz4 h ALA 171 N 1.14 1.21 0.00 1.53 0.00 -1.22 -2.08 119.26 119.84 3jz4 h ALA 171 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3jz4 h ALA 171 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3jz4 h ALA 171 CO 0.07 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3jz4 h ALA 172 N 1.53 1.00 0.00 0.00 0.00 -0.77 -3.40 119.26 117.61 3jz4 h ALA 172 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jz4 h ALA 172 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3jz4 h ALA 172 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3jz4 n GLY 173 N 0.16 0.96 3.90 0.00 0.00 -0.78 -3.82 105.19 105.61 3jz4 n GLY 173 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3jz4 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jz4 s THR 175 N -3.16 3.01 -0.07 0.00 -4.23 -1.14 -4.07 115.64 105.99 3jz4 s THR 175 Ca 0.56 -1.67 -0.06 0.00 -1.18 0.00 0.00 61.69 59.34 3jz4 s THR 175 Cb -0.11 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.76 3jz4 s THR 175 CO 0.48 -0.17 0.18 -0.32 -0.54 0.00 0.00 174.62 174.26 3jz4 s MET 176 N -3.86 0.21 -0.19 3.99 0.00 0.02 -0.81 119.30 118.66 3jz4 s MET 176 Ca 0.38 0.27 -0.01 0.00 0.00 0.00 0.00 55.69 56.33 3jz4 s MET 176 Cb -0.02 0.09 0.01 0.00 0.00 0.00 0.00 34.83 34.90 3jz4 s MET 176 CO 0.23 -0.04 -0.13 0.08 0.00 0.00 0.00 175.02 175.16 3jz4 s VAL 177 N 0.18 2.64 -0.11 10.11 1.01 -0.38 -1.21 120.40 132.64 3jz4 s VAL 177 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3jz4 s VAL 177 Cb -0.02 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3jz4 s VAL 177 CO -0.00 0.49 -0.13 -0.22 0.00 0.00 0.00 175.10 175.23 3jz4 s LEU 178 N 1.33 2.72 -0.36 3.92 0.20 0.84 -1.56 118.68 125.78 3jz4 s LEU 178 Ca 0.05 -0.29 -0.05 0.00 0.69 0.00 0.00 54.13 54.52 3jz4 s LEU 178 Cb -0.14 -1.60 0.06 0.00 -0.43 0.00 0.00 46.19 44.09 3jz4 s LEU 178 CO -0.08 0.21 0.12 -0.75 -0.29 0.00 0.00 176.35 175.56 3jz4 s LYS 179 N 0.08 2.44 0.67 1.98 2.20 0.88 -0.80 119.74 127.20 3jz4 s LYS 179 Ca -0.06 -1.38 -0.11 0.00 -0.36 0.00 0.00 55.97 54.07 3jz4 s LYS 179 Cb -0.15 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3jz4 s LYS 179 CO 0.04 -0.79 1.06 -1.25 -0.36 0.00 0.00 175.35 174.06 3jz4 s PRO 180 N 1.31 3.02 0.26 4.03 0.04 -1.26 -1.92 135.00 140.49 3jz4 s PRO 180 Ca 0.00 0.47 -0.31 0.00 0.04 0.00 0.00 61.00 61.20 3jz4 s PRO 180 Cb -0.21 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 3jz4 s PRO 180 CO 0.00 -0.90 1.62 0.00 0.04 0.00 0.00 177.00 177.77 3jz4 s ALA 181 N -3.28 3.80 0.57 8.56 0.00 -0.74 -4.81 121.76 125.86 3jz4 s ALA 181 Ca 0.57 1.56 0.25 0.00 0.00 0.00 0.00 51.96 54.34 3jz4 s ALA 181 Cb -0.11 -3.66 1.63 0.00 0.00 0.00 0.00 23.12 20.98 3jz4 s ALA 181 CO 0.51 -0.95 2.20 0.77 0.00 0.00 0.00 175.76 178.29 3jz4 h SER 182 N 5.48 0.00 1.73 0.00 0.02 -1.90 -2.19 113.55 116.69 3jz4 h SER 182 Ca -0.46 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 3jz4 h SER 182 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3jz4 h SER 182 CO 0.84 0.00 -0.27 1.56 -1.14 0.00 0.00 176.83 177.83 3jz4 h GLN 183 N 0.00 0.00 -1.92 3.45 4.20 -1.94 -3.39 115.11 115.52 3jz4 h GLN 183 Ca 0.02 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.25 3jz4 h GLN 183 Cb 0.08 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.46 3jz4 h GLN 183 CO -0.00 0.27 -1.15 0.25 -0.67 0.00 0.00 178.83 177.52 3jz4 n THR 184 N -3.17 0.22 0.21 -0.54 -2.24 -0.85 -4.75 114.28 103.15 3jz4 n THR 184 Ca 0.03 -4.52 0.12 0.00 -2.27 0.00 0.00 64.05 57.41 3jz4 n THR 184 Cb 0.64 -0.26 0.08 0.00 -2.10 0.00 0.00 70.33 68.69 3jz4 n THR 184 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3jz4 h PRO 185 N 2.99 0.00 -0.67 -0.78 0.13 -1.69 -3.36 132.00 128.62 3jz4 h PRO 185 Ca 0.08 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 3jz4 h PRO 185 Cb 0.95 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 3jz4 h PRO 185 CO 0.53 0.00 0.18 0.74 -0.23 0.00 0.00 178.00 179.21 3jz4 h PHE 186 N 0.00 1.10 -0.90 1.56 0.04 -1.89 -1.85 116.94 115.00 3jz4 h PHE 186 Ca 0.00 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.67 3jz4 h PHE 186 Cb 0.96 -0.32 -0.05 0.00 2.20 0.00 0.00 35.95 38.75 3jz4 h PHE 186 CO 0.00 0.89 0.59 0.77 -0.60 0.00 0.00 178.31 179.96 3jz4 h SER 187 N 1.01 1.01 -0.42 2.17 0.02 -1.86 -0.28 113.55 115.20 3jz4 h SER 187 Ca 0.22 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3jz4 h SER 187 Cb 0.34 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3jz4 h SER 187 CO -0.00 0.71 0.03 0.00 -1.14 0.00 0.00 176.83 176.43 3jz4 h ALA 188 N 1.35 0.57 -0.15 3.77 0.00 -1.56 -2.57 119.26 120.67 3jz4 h ALA 188 Ca 0.34 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3jz4 h ALA 188 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3jz4 h ALA 188 CO -0.09 0.32 -0.50 -0.07 0.00 0.00 0.00 179.25 178.91 3jz4 h LEU 189 N 0.57 0.45 -0.51 0.00 3.38 -1.07 -1.17 115.31 116.95 3jz4 h LEU 189 Ca 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3jz4 h LEU 189 Cb 0.43 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3jz4 h LEU 189 CO 0.02 0.88 0.28 0.00 0.09 0.00 0.00 178.44 179.70 3jz4 h ALA 190 N 1.14 0.66 -0.70 1.53 0.00 -1.00 -0.31 119.26 120.57 3jz4 h ALA 190 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3jz4 h ALA 190 Cb 1.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3jz4 h ALA 190 CO 0.09 0.18 0.45 -0.07 0.00 0.00 0.00 179.25 179.89 3jz4 h LEU 191 N 0.68 0.83 -0.63 0.00 4.07 -1.24 -1.35 115.31 117.67 3jz4 h LEU 191 Ca 0.18 -0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.17 3jz4 h LEU 191 Cb 0.05 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.52 3jz4 h LEU 191 CO -0.03 0.62 0.32 0.00 -1.08 0.00 0.00 178.44 178.27 3jz4 h ALA 192 N 1.24 0.84 -0.48 1.53 0.00 -0.85 0.44 119.26 121.98 3jz4 h ALA 192 Ca 0.26 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3jz4 h ALA 192 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3jz4 h ALA 192 CO -0.05 -0.05 0.28 1.49 0.00 0.00 0.00 179.25 180.92 3jz4 h GLU 193 N 0.58 0.54 -0.21 0.00 4.57 -0.40 -2.05 114.58 117.60 3jz4 h GLU 193 Ca 0.29 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 3jz4 h GLU 193 Cb 0.25 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3jz4 h GLU 193 CO -0.22 0.35 -0.26 -0.07 -1.18 0.00 0.00 179.01 177.63 3jz4 h LEU 194 N 0.55 0.40 -0.56 1.64 3.38 -0.69 -2.42 115.31 117.62 3jz4 h LEU 194 Ca 0.20 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3jz4 h LEU 194 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3jz4 h LEU 194 CO -0.10 0.67 0.36 0.00 0.09 0.00 0.00 178.44 179.46 3jz4 h ALA 195 N 1.37 0.72 -0.21 1.53 0.00 -0.40 0.13 119.26 122.40 3jz4 h ALA 195 Ca 0.05 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3jz4 h ALA 195 Cb 0.65 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3jz4 h ALA 195 CO 0.05 0.12 -0.11 0.82 0.00 0.00 0.00 179.25 180.13 3jz4 h ILE 196 N 0.73 0.65 0.00 0.00 1.08 -0.97 -1.34 117.51 117.66 3jz4 h ILE 196 Ca 0.21 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.64 3jz4 h ILE 196 Cb -0.05 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 3jz4 h ILE 196 CO -0.06 0.00 -0.22 0.03 -0.69 0.00 0.00 178.15 177.21 3jz4 h ARG 197 N -0.10 0.00 0.00 2.37 3.08 -1.00 -2.05 114.38 116.68 3jz4 h ARG 197 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3jz4 h ARG 197 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3jz4 h ARG 197 CO -0.27 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 178.85 3jz4 h ALA 198 N 1.78 1.00 0.00 0.04 0.00 -0.21 -3.47 119.26 118.40 3jz4 h ALA 198 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jz4 h ALA 198 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jz4 h ALA 198 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3jz4 n GLY 199 N 0.58 1.10 3.66 0.00 0.00 -0.77 -4.69 105.19 105.07 3jz4 n GLY 199 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3jz4 n GLY 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jz4 s VAL 200 N -2.00 3.67 0.74 1.61 1.01 -0.55 -4.96 120.40 119.91 3jz4 s VAL 200 Ca 0.00 0.80 -0.14 0.00 0.00 0.00 0.00 61.98 62.64 3jz4 s VAL 200 Cb 0.00 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.89 3jz4 s VAL 200 CO 0.00 -0.09 1.17 -2.84 0.00 0.00 0.00 175.10 173.35 3jz4 s PRO 201 N 4.04 2.17 0.12 2.72 0.02 -1.26 -4.57 135.00 138.23 3jz4 s PRO 201 Ca 0.71 1.62 -0.34 0.00 0.02 0.00 0.00 61.00 63.01 3jz4 s PRO 201 Cb -0.31 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.21 3jz4 s PRO 201 CO 0.28 -1.78 1.57 0.00 -0.33 0.00 0.00 177.00 176.74 3jz4 n ALA 202 N -2.86 0.90 0.00 -1.55 0.00 -1.26 -2.25 120.51 113.49 3jz4 n ALA 202 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3jz4 n ALA 202 Cb 0.51 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3jz4 n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jz4 n GLY 203 N 3.37 2.06 0.25 0.00 0.00 -1.26 -4.75 105.19 104.85 3jz4 n GLY 203 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3jz4 n GLY 203 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3jz4 h VAL 204 N 0.00 1.28 -3.25 1.61 2.07 -1.73 -3.23 116.25 113.00 3jz4 h VAL 204 Ca 0.00 -1.73 -0.48 0.00 0.82 0.00 0.00 66.70 65.31 3jz4 h VAL 204 Cb 0.00 1.63 -0.39 0.00 -1.52 0.00 0.00 31.29 31.00 3jz4 h VAL 204 CO 0.00 0.56 -0.77 0.12 0.02 0.00 0.00 177.57 177.51 3jz4 s PHE 205 N -4.13 0.85 -0.01 1.57 5.36 -1.26 -0.80 117.98 119.57 3jz4 s PHE 205 Ca -0.10 -0.55 0.07 0.00 -0.96 0.00 0.00 56.93 55.39 3jz4 s PHE 205 Cb 0.10 -0.92 -0.02 0.00 -0.34 0.00 0.00 43.02 41.84 3jz4 s PHE 205 CO 0.88 -0.49 -0.24 -0.80 -1.46 0.00 0.00 175.22 173.11 3jz4 s ASN 206 N 1.92 2.78 -0.23 6.13 0.01 -0.35 -4.83 114.94 120.38 3jz4 s ASN 206 Ca 0.02 -0.45 0.02 0.00 -0.71 0.00 0.00 52.86 51.74 3jz4 s ASN 206 Cb -0.15 -0.30 0.05 0.00 0.41 0.00 0.00 41.25 41.26 3jz4 s ASN 206 CO -0.07 0.28 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.98 3jz4 s VAL 207 N -0.59 2.00 -0.22 1.60 1.01 -0.14 -0.11 120.40 123.95 3jz4 s VAL 207 Ca 0.09 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 60.72 3jz4 s VAL 207 Cb -0.09 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3jz4 s VAL 207 CO -0.00 0.15 -0.02 -0.69 0.00 0.00 0.00 175.10 174.54 3jz4 s VAL 208 N 1.23 3.63 0.03 2.92 1.01 0.02 -1.48 120.40 127.75 3jz4 s VAL 208 Ca -0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3jz4 s VAL 208 Cb -0.17 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3jz4 s VAL 208 CO -0.08 0.42 0.16 0.42 0.00 0.00 0.00 175.10 176.02 3jz4 s THR 209 N 1.35 5.18 -3.93 3.92 -4.23 -1.26 -4.09 115.64 112.58 3jz4 s THR 209 Ca 0.04 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 3jz4 s THR 209 Cb -0.14 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3jz4 s THR 209 CO -0.01 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 3jz4 n GLY 210 N 0.68 -2.38 3.65 3.99 0.00 -1.22 -1.17 105.19 108.74 3jz4 n GLY 210 Ca -0.09 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 3jz4 n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jz4 s SER 211 N -0.59 6.65 0.00 1.61 0.01 -1.25 -4.74 113.70 115.39 3jz4 s SER 211 Ca 0.00 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.06 3jz4 s SER 211 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 3jz4 s SER 211 CO 0.00 -0.30 0.00 0.00 0.41 0.00 0.00 173.24 173.35 3jz4 n ALA 212 N 5.24 0.00 0.28 1.44 0.00 -1.26 -1.63 120.51 124.57 3jz4 n ALA 212 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3jz4 n ALA 212 Cb 0.49 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.73 3jz4 n ALA 212 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3jz4 h GLY 213 N 0.00 0.00 0.46 0.00 0.00 -1.96 -0.31 103.07 101.26 3jz4 h GLY 213 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jz4 h GLY 213 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 3jz4 h ALA 214 N 1.94 -0.03 -0.05 3.60 0.00 -1.67 0.10 119.26 123.16 3jz4 h ALA 214 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3jz4 h ALA 214 Cb 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jz4 h ALA 214 CO 0.01 -0.25 -0.01 0.28 0.00 0.00 0.00 179.25 179.28 3jz4 h VAL 215 N -0.56 1.27 -0.57 0.00 2.07 -1.60 -3.25 116.25 113.62 3jz4 h VAL 215 Ca -0.00 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.74 3jz4 h VAL 215 Cb 0.53 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 3jz4 h VAL 215 CO 0.00 0.23 0.24 1.23 0.02 0.00 0.00 177.57 179.30 3jz4 h GLY 216 N -0.23 0.79 0.94 2.17 0.00 -1.12 -1.99 103.07 103.63 3jz4 h GLY 216 Ca 0.01 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.26 3jz4 h GLY 216 CO 0.00 0.04 0.54 3.43 0.00 0.00 0.00 176.54 180.56 3jz4 h ASN 217 N 0.46 0.80 -0.15 0.19 2.35 -1.05 -0.61 115.58 117.57 3jz4 h ASN 217 Ca 0.27 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 3jz4 h ASN 217 Cb 0.26 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3jz4 h ASN 217 CO -0.24 0.52 -0.31 -0.08 -1.65 0.00 0.00 177.43 175.67 3jz4 h GLU 218 N 0.91 0.47 -0.81 0.81 4.57 -1.49 -1.95 114.58 117.09 3jz4 h GLU 218 Ca 0.35 -0.31 0.10 0.00 -1.18 0.00 0.00 59.36 58.32 3jz4 h GLU 218 Cb 0.22 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.78 3jz4 h GLU 218 CO -0.13 0.92 0.45 -0.07 -1.18 0.00 0.00 179.01 179.00 3jz4 h LEU 219 N 0.09 0.62 0.00 1.64 3.38 -0.96 -1.70 115.31 118.38 3jz4 h LEU 219 Ca 0.00 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3jz4 h LEU 219 Cb 0.91 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3jz4 h LEU 219 CO 0.07 0.34 -0.63 0.71 0.09 0.00 0.00 178.44 179.02 3jz4 h THR 220 N 0.74 0.46 0.00 0.22 1.35 -1.12 -3.35 112.91 111.21 3jz4 h THR 220 Ca 0.40 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3jz4 h THR 220 Cb 0.40 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3jz4 h THR 220 CO -0.27 0.26 -1.49 -1.54 -0.25 0.00 0.00 175.52 172.23 3jz4 n SER 221 N -3.05 0.44 -4.63 5.36 3.41 -0.74 -4.45 113.62 109.97 3jz4 n SER 221 Ca -0.00 -0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 57.84 3jz4 n SER 221 Cb 0.68 1.43 -0.02 0.00 -0.26 0.00 0.00 64.21 66.04 3jz4 n SER 221 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3jz4 s ASN 222 N -3.97 6.90 0.19 4.04 3.84 -0.65 -4.92 114.94 120.36 3jz4 s ASN 222 Ca -0.01 1.00 0.20 0.00 0.21 0.00 0.00 52.86 54.26 3jz4 s ASN 222 Cb 0.15 -2.54 0.86 0.00 -0.55 0.00 0.00 41.25 39.17 3jz4 s ASN 222 CO 0.88 -0.90 1.60 -0.81 -2.79 0.00 0.00 177.10 175.08 3jz4 n PRO 223 N 6.93 0.13 0.22 0.43 -0.04 -1.26 -1.60 135.00 139.80 3jz4 n PRO 223 Ca 0.12 0.41 0.07 0.00 -0.04 0.00 0.00 63.50 64.06 3jz4 n PRO 223 Cb 0.47 -1.77 0.50 0.00 -0.04 0.00 0.00 33.50 32.66 3jz4 n PRO 223 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3jz4 h LEU 224 N 0.00 0.00 -8.99 1.53 3.38 -1.96 -3.40 115.31 105.87 3jz4 h LEU 224 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3jz4 h LEU 224 Cb 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3jz4 h LEU 224 CO 0.00 0.26 0.79 -0.69 0.09 0.00 0.00 178.44 178.89 3jz4 s VAL 225 N -4.17 4.59 -0.89 1.22 1.01 -0.63 -4.24 120.40 117.30 3jz4 s VAL 225 Ca -0.02 1.78 0.16 0.00 0.00 0.00 0.00 61.98 63.89 3jz4 s VAL 225 Cb 0.14 -4.36 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 3jz4 s VAL 225 CO 0.67 -0.37 0.72 0.54 0.00 0.00 0.00 175.10 176.66 3jz4 n ARG 226 N 6.64 1.64 -3.71 2.72 1.74 -0.34 -4.92 116.66 120.43 3jz4 n ARG 226 Ca 0.11 -0.13 -0.11 0.00 -0.77 0.00 0.00 57.85 56.95 3jz4 n ARG 226 Cb 0.47 -1.27 -0.11 0.00 -1.02 0.00 0.00 32.46 30.53 3jz4 n ARG 226 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3jz4 s LYS 227 N -2.45 0.37 -0.06 5.56 2.47 -1.22 -2.23 119.74 122.18 3jz4 s LYS 227 Ca 0.07 0.71 0.04 0.00 -1.56 0.00 0.00 55.97 55.23 3jz4 s LYS 227 Cb 0.12 0.00 -0.00 0.00 -1.46 0.00 0.00 37.83 36.50 3jz4 s LYS 227 CO 0.63 -0.14 -0.19 -1.17 0.16 0.00 0.00 175.35 174.64 3jz4 s LEU 228 N 1.19 1.93 -0.10 5.43 2.96 -0.42 -0.48 118.68 129.18 3jz4 s LEU 228 Ca -0.08 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 3jz4 s LEU 228 Cb -0.08 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 3jz4 s LEU 228 CO -0.10 0.15 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.30 3jz4 s SER 229 N 0.21 3.16 -0.02 3.68 0.15 -0.14 -0.43 113.70 120.32 3jz4 s SER 229 Ca -0.10 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.02 3jz4 s SER 229 Cb -0.14 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 3jz4 s SER 229 CO 0.05 0.16 -0.05 0.12 1.20 0.00 0.00 173.24 174.71 3jz4 s PHE 230 N 0.37 0.59 -0.11 3.44 5.36 -0.47 -1.22 117.98 125.94 3jz4 s PHE 230 Ca -0.18 -0.12 0.03 0.00 -0.96 0.00 0.00 56.93 55.70 3jz4 s PHE 230 Cb -0.18 -0.45 0.01 0.00 -0.34 0.00 0.00 43.02 42.06 3jz4 s PHE 230 CO 0.08 -0.07 -0.21 0.99 -1.46 0.00 0.00 175.22 174.56 3jz4 s THR 231 N 0.22 1.86 -3.21 0.12 2.01 -0.98 -1.34 115.64 114.32 3jz4 s THR 231 Ca -0.02 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.09 3jz4 s THR 231 Cb -0.07 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.80 3jz4 s THR 231 CO -0.00 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 3jz4 n GLY 232 N 3.84 -0.61 3.79 4.40 0.00 -0.89 -3.56 105.19 112.16 3jz4 n GLY 232 Ca -0.20 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 3jz4 n GLY 232 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jz4 s SER 233 N -4.00 6.08 0.21 1.61 1.04 -1.26 -3.66 113.70 113.72 3jz4 s SER 233 Ca 0.00 2.05 -0.09 0.00 0.48 0.00 0.00 55.95 58.38 3jz4 s SER 233 Cb 0.00 -2.57 0.23 0.00 0.10 0.00 0.00 66.02 63.78 3jz4 s SER 233 CO 0.00 -0.97 1.83 0.74 0.98 0.00 0.00 173.24 175.82 3jz4 h THR 234 N 1.42 1.02 -0.79 2.02 2.02 -1.92 -1.39 112.91 115.29 3jz4 h THR 234 Ca -0.50 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3jz4 h THR 234 Cb 1.24 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3jz4 h THR 234 CO 0.58 0.14 0.40 -0.08 0.37 0.00 0.00 175.52 176.93 3jz4 h GLU 235 N 0.77 1.11 -0.18 6.66 4.22 -1.98 0.47 114.58 125.66 3jz4 h GLU 235 Ca 0.30 -0.15 -0.19 0.00 0.08 0.00 0.00 59.36 59.40 3jz4 h GLU 235 Cb 0.12 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3jz4 h GLU 235 CO -0.15 0.85 -0.67 0.82 -2.18 0.00 0.00 179.01 177.68 3jz4 h ILE 236 N 1.10 1.31 -0.41 2.32 1.08 -1.90 -2.50 117.51 118.51 3jz4 h ILE 236 Ca 0.27 -1.91 0.09 0.00 -0.39 0.00 0.00 64.86 62.92 3jz4 h ILE 236 Cb 0.08 1.88 -0.09 0.00 -3.07 0.00 0.00 36.82 35.62 3jz4 h ILE 236 CO -0.04 0.60 -0.22 1.23 -0.69 0.00 0.00 178.15 179.03 3jz4 h GLY 237 N 0.85 0.04 0.40 5.37 0.00 -0.80 0.17 103.07 109.09 3jz4 h GLY 237 Ca -0.02 0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.67 3jz4 h GLY 237 CO 0.13 -0.20 0.09 3.21 0.00 0.00 0.00 176.54 179.77 3jz4 h ARG 238 N -0.15 0.22 -0.37 4.80 3.08 -0.79 -0.92 114.38 120.25 3jz4 h ARG 238 Ca 0.20 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 3jz4 h ARG 238 Cb 0.45 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3jz4 h ARG 238 CO -0.50 0.14 -0.00 1.96 -1.07 0.00 0.00 179.97 180.50 3jz4 h GLN 239 N 0.22 0.65 -0.65 0.04 4.20 -0.97 -1.40 115.11 117.20 3jz4 h GLN 239 Ca 0.23 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3jz4 h GLN 239 Cb 0.30 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3jz4 h GLN 239 CO -0.31 0.76 0.20 -0.07 -0.67 0.00 0.00 178.83 178.74 3jz4 h LEU 240 N 0.46 0.95 -0.71 1.46 3.38 -0.51 -1.17 115.31 119.16 3jz4 h LEU 240 Ca 0.10 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3jz4 h LEU 240 Cb 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3jz4 h LEU 240 CO 0.02 0.90 0.45 -0.03 0.09 0.00 0.00 178.44 179.88 3jz4 h MET 241 N 0.94 0.96 -0.20 1.13 4.05 -1.04 -0.94 114.93 119.82 3jz4 h MET 241 Ca 0.21 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3jz4 h MET 241 Cb 0.30 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3jz4 h MET 241 CO -0.01 0.66 0.07 0.93 0.23 0.00 0.00 176.91 178.79 3jz4 h GLU 242 N 0.97 0.17 -0.51 0.39 5.08 -0.93 -2.68 114.58 117.07 3jz4 h GLU 242 Ca 0.26 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3jz4 h GLU 242 Cb -0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3jz4 h GLU 242 CO -0.05 0.11 0.22 1.96 -1.00 0.00 0.00 179.01 180.25 3jz4 h GLN 243 N 0.17 0.72 0.00 2.33 4.20 -0.89 -2.33 115.11 119.32 3jz4 h GLN 243 Ca 0.09 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3jz4 h GLN 243 Cb 0.05 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3jz4 h GLN 243 CO -0.08 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.66 3jz4 h ALA 245 N 2.43 1.39 -0.61 0.00 0.00 -1.19 -1.91 119.26 119.36 3jz4 h ALA 245 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.88 3jz4 h ALA 245 Cb 0.38 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3jz4 h ALA 245 CO 0.00 0.45 0.09 -0.22 0.00 0.00 0.00 179.25 179.57 3jz4 h LYS 246 N 0.67 0.21 -0.16 0.00 3.64 -1.75 -1.70 116.57 117.47 3jz4 h LYS 246 Ca 0.16 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3jz4 h LYS 246 Cb 0.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3jz4 h LYS 246 CO -0.01 0.14 0.00 -0.25 -2.27 0.00 0.00 179.45 177.06 3jz4 n ASP 247 N -5.17 2.88 -3.83 4.20 8.00 -1.18 -4.96 116.55 116.49 3jz4 n ASP 247 Ca 0.09 -1.92 -0.25 0.00 0.71 0.00 0.00 54.79 53.42 3jz4 n ASP 247 Cb 0.34 -0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.37 3jz4 n ASP 247 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3jz4 n ILE 248 N 1.18 -3.33 -1.97 0.53 2.08 -0.64 -4.93 119.36 112.28 3jz4 n ILE 248 Ca 0.17 -0.32 -0.37 0.00 0.56 0.00 0.00 62.75 62.78 3jz4 n ILE 248 Cb 0.55 -3.21 0.03 0.00 -0.75 0.00 0.00 39.64 36.26 3jz4 n ILE 248 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3jz4 s LYS 249 N -6.31 3.16 0.04 0.38 1.02 -0.76 -4.99 119.74 112.27 3jz4 s LYS 249 Ca 0.24 1.97 -0.30 0.00 0.02 0.00 0.00 55.97 57.89 3jz4 s LYS 249 Cb -0.12 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 3jz4 s LYS 249 CO 0.84 -1.10 1.26 0.21 -0.92 0.00 0.00 175.35 175.63 3jz4 s LYS 250 N -3.06 4.38 -0.10 1.68 2.20 -0.95 -4.92 119.74 118.97 3jz4 s LYS 250 Ca 0.73 1.82 0.02 0.00 -0.36 0.00 0.00 55.97 58.19 3jz4 s LYS 250 Cb -0.34 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.59 3jz4 s LYS 250 CO 0.39 -0.37 -0.17 0.08 -0.36 0.00 0.00 175.35 174.92 3jz4 s VAL 251 N 1.48 1.61 -0.12 4.02 1.01 -1.26 -1.30 120.40 125.85 3jz4 s VAL 251 Ca 0.60 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3jz4 s VAL 251 Cb -0.30 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3jz4 s VAL 251 CO 0.28 0.46 0.00 -0.44 0.00 0.00 0.00 175.10 175.40 3jz4 s SER 252 N 0.81 5.22 -0.02 3.32 0.01 0.42 -4.73 113.70 118.73 3jz4 s SER 252 Ca -0.10 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.25 3jz4 s SER 252 Cb -0.16 -1.63 0.02 0.00 0.21 0.00 0.00 66.02 64.47 3jz4 s SER 252 CO 0.01 0.30 -0.00 -0.76 0.41 0.00 0.00 173.24 173.20 3jz4 s LEU 253 N -0.41 1.36 -0.25 2.44 1.43 -0.13 -1.37 118.68 121.75 3jz4 s LEU 253 Ca 0.08 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3jz4 s LEU 253 Cb -0.12 -0.18 0.06 0.00 0.03 0.00 0.00 46.19 45.97 3jz4 s LEU 253 CO 0.02 -0.07 -0.10 -1.61 0.23 0.00 0.00 176.35 174.82 3jz4 s GLU 254 N 0.77 2.11 0.00 1.70 0.41 -0.45 -0.40 118.70 122.83 3jz4 s GLU 254 Ca -0.07 -1.20 0.00 0.00 -0.41 0.00 0.00 54.97 53.28 3jz4 s GLU 254 Cb -0.11 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 3jz4 s GLU 254 CO -0.01 -0.55 0.00 1.28 -0.49 0.00 0.00 175.26 175.48 3jz4 n LEU 255 N 4.51 0.00 -4.50 1.80 4.32 -0.06 -2.09 117.00 120.99 3jz4 n LEU 255 Ca -0.14 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.48 3jz4 n LEU 255 Cb 0.43 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.29 3jz4 n LEU 255 CO 0.20 0.00 0.17 0.61 -1.22 0.00 0.00 177.39 177.15 3jz4 n GLY 256 N 5.00 -1.26 3.12 -0.72 0.00 -1.24 -4.86 105.19 105.23 3jz4 n GLY 256 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 3jz4 n GLY 256 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jz4 s GLY 257 N -1.36 0.60 -0.45 -0.02 0.00 -1.26 -4.46 107.32 100.39 3jz4 s GLY 257 Ca 0.69 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 44.18 3jz4 s GLY 257 CO 0.54 -1.35 0.48 -2.01 0.00 0.00 0.00 173.10 170.76 3jz4 n ASN 258 N 0.05 -1.46 -4.65 1.64 5.15 -1.26 -4.34 115.26 110.39 3jz4 n ASN 258 Ca -0.12 -2.58 -0.43 0.00 -0.60 0.00 0.00 54.58 50.85 3jz4 n ASN 258 Cb 0.61 0.23 -0.02 0.00 -0.53 0.00 0.00 39.78 40.07 3jz4 n ASN 258 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jz4 s ALA 259 N 0.27 3.60 0.34 5.20 0.00 -1.26 -4.84 121.76 125.07 3jz4 s ALA 259 Ca 0.32 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 3jz4 s ALA 259 Cb 0.04 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 3jz4 s ALA 259 CO -0.15 -1.29 1.00 -1.25 0.00 0.00 0.00 175.76 174.06 3jz4 s PRO 260 N 3.59 4.47 -0.24 0.00 0.04 -1.26 -0.49 135.00 141.11 3jz4 s PRO 260 Ca 0.52 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.01 3jz4 s PRO 260 Cb -0.19 -2.78 0.07 0.00 0.04 0.00 0.00 34.50 31.64 3jz4 s PRO 260 CO 0.15 0.15 -0.02 0.12 0.04 0.00 0.00 177.00 177.44 3jz4 s PHE 261 N -1.56 2.17 -0.17 0.56 5.36 0.17 -1.35 117.98 123.15 3jz4 s PHE 261 Ca 0.52 -1.67 -0.03 0.00 -0.96 0.00 0.00 56.93 54.79 3jz4 s PHE 261 Cb -0.21 -1.57 -0.02 0.00 -0.34 0.00 0.00 43.02 40.88 3jz4 s PHE 261 CO 0.27 -0.77 -0.06 0.42 -1.46 0.00 0.00 175.22 173.63 3jz4 s ILE 262 N 1.47 3.54 -0.25 3.12 1.01 -0.23 -0.10 121.20 129.76 3jz4 s ILE 262 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3jz4 s ILE 262 Cb -0.18 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.77 3jz4 s ILE 262 CO -0.08 0.47 -0.09 -0.69 0.00 0.00 0.00 174.94 174.55 3jz4 s VAL 263 N 0.78 2.55 0.52 2.92 1.01 0.14 -0.20 120.40 128.13 3jz4 s VAL 263 Ca -0.02 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 3jz4 s VAL 263 Cb -0.15 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3jz4 s VAL 263 CO 0.02 0.12 0.83 -0.36 0.00 0.00 0.00 175.10 175.70 3jz4 s PHE 264 N 1.23 3.46 0.38 5.22 0.40 -0.90 -0.73 117.98 127.04 3jz4 s PHE 264 Ca -0.03 0.76 0.20 0.00 -0.60 0.00 0.00 56.93 57.26 3jz4 s PHE 264 Cb -0.18 -2.45 1.19 0.00 0.51 0.00 0.00 43.02 42.09 3jz4 s PHE 264 CO -0.05 -0.46 1.67 -0.44 0.70 0.00 0.00 175.22 176.63 3jz4 h ASP 265 N 0.09 0.42 -0.58 1.36 3.32 -1.88 -1.65 116.42 117.49 3jz4 h ASP 265 Ca -0.46 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3jz4 h ASP 265 Cb 1.22 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3jz4 h ASP 265 CO 0.61 -0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.12 3jz4 n ASP 266 N -4.87 3.94 -4.79 6.45 5.75 -1.26 -4.92 116.55 116.85 3jz4 n ASP 266 Ca 0.32 -2.27 -0.33 0.00 -0.01 0.00 0.00 54.79 52.50 3jz4 n ASP 266 Cb 1.10 -0.50 0.01 0.00 -1.03 0.00 0.00 41.12 40.69 3jz4 n ASP 266 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jz4 s ALA 267 N -1.62 2.70 -0.54 2.12 0.00 -0.62 -3.69 121.76 120.10 3jz4 s ALA 267 Ca 0.43 0.53 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 3jz4 s ALA 267 Cb 0.26 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3jz4 s ALA 267 CO 0.23 -0.82 1.53 0.34 0.00 0.00 0.00 175.76 177.04 3jz4 s ASP 268 N -2.44 5.97 0.20 0.00 -1.08 -1.26 -4.92 116.67 113.14 3jz4 s ASP 268 Ca 0.66 0.41 -0.10 0.00 -0.52 0.00 0.00 52.55 53.01 3jz4 s ASP 268 Cb -0.18 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 38.86 3jz4 s ASP 268 CO 0.33 -1.81 1.77 -0.07 0.52 0.00 0.00 175.17 175.91 3jz4 h LEU 269 N 13.67 0.98 -1.05 -1.34 3.38 -1.95 -0.13 115.31 128.87 3jz4 h LEU 269 Ca -0.27 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 3jz4 h LEU 269 Cb 1.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3jz4 h LEU 269 CO 1.17 0.86 0.29 0.44 0.09 0.00 0.00 178.44 181.30 3jz4 h ASP 270 N 1.03 0.88 -0.13 -0.43 3.32 -1.99 -0.24 116.42 118.84 3jz4 h ASP 270 Ca 0.24 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 57.00 3jz4 h ASP 270 Cb 0.17 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3jz4 h ASP 270 CO -0.02 0.77 -0.63 0.11 -1.72 0.00 0.00 179.24 177.74 3jz4 h LYS 271 N 0.96 0.75 -0.59 3.56 1.57 -1.88 -1.87 116.57 119.07 3jz4 h LYS 271 Ca 0.23 -0.52 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3jz4 h LYS 271 Cb 0.14 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3jz4 h LYS 271 CO -0.03 1.14 0.35 0.00 -0.57 0.00 0.00 179.45 180.35 3jz4 h ALA 272 N 0.73 0.76 -0.33 3.86 0.00 -0.70 -0.20 119.26 123.37 3jz4 h ALA 272 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3jz4 h ALA 272 Cb 1.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3jz4 h ALA 272 CO 0.13 0.06 0.10 0.28 0.00 0.00 0.00 179.25 179.83 3jz4 h VAL 273 N 0.68 1.21 -0.50 0.00 2.07 -0.96 0.58 116.25 119.32 3jz4 h VAL 273 Ca 0.24 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3jz4 h VAL 273 Cb 0.05 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3jz4 h VAL 273 CO -0.11 0.23 0.27 -0.08 0.02 0.00 0.00 177.57 177.90 3jz4 h GLU 274 N 0.39 0.51 -0.62 1.57 4.81 -1.25 -0.60 114.58 119.38 3jz4 h GLU 274 Ca 0.11 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3jz4 h GLU 274 Cb 0.26 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3jz4 h GLU 274 CO -0.00 0.34 0.28 0.78 -0.73 0.00 0.00 179.01 179.68 3jz4 h GLY 275 N 0.53 0.98 0.94 1.92 0.00 -0.81 -1.95 103.07 104.67 3jz4 h GLY 275 Ca 0.22 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3jz4 h GLY 275 CO -0.14 0.47 0.09 0.00 0.00 0.00 0.00 176.54 176.96 3jz4 h ALA 276 N 1.12 0.53 0.06 3.60 0.00 -0.58 0.18 119.26 124.17 3jz4 h ALA 276 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jz4 h ALA 276 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jz4 h ALA 276 CO -0.02 0.23 -0.05 1.25 0.00 0.00 0.00 179.25 180.65 3jz4 h LEU 277 N 0.51 -0.14 -0.84 0.00 5.85 -1.04 0.14 115.31 119.79 3jz4 h LEU 277 Ca 0.13 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3jz4 h LEU 277 Cb 0.33 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3jz4 h LEU 277 CO 0.00 -0.09 0.45 0.00 -0.34 0.00 0.00 178.44 178.46 3jz4 h ALA 278 N 0.82 1.08 0.05 1.25 0.00 -1.24 -2.06 119.26 119.16 3jz4 h ALA 278 Ca 0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 3jz4 h ALA 278 Cb 0.12 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.59 3jz4 h ALA 278 CO -0.02 0.60 -0.93 1.03 0.00 0.00 0.00 179.25 179.94 3jz4 h SER 279 N 1.18 0.73 0.09 0.00 0.87 -0.77 -3.12 113.55 112.52 3jz4 h SER 279 Ca 0.29 -0.80 -0.20 0.00 -1.23 0.00 0.00 61.79 59.86 3jz4 h SER 279 Cb 0.05 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3jz4 h SER 279 CO -0.04 1.44 -0.85 0.50 -0.53 0.00 0.00 176.83 177.34 3jz4 h LYS 280 N 0.10 0.42 -0.22 2.24 1.63 -1.01 -3.23 116.57 116.50 3jz4 h LYS 280 Ca -0.13 -0.57 0.00 0.00 -0.85 0.00 0.00 60.65 59.10 3jz4 h LYS 280 Cb 1.63 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.45 3jz4 h LYS 280 CO 0.18 1.23 0.00 1.19 -3.45 0.00 0.00 179.45 178.60 3jz4 n PHE 281 N -4.08 0.27 -1.86 1.91 3.72 -0.78 -2.97 117.46 113.69 3jz4 n PHE 281 Ca -0.13 -0.14 -0.41 0.00 -0.05 0.00 0.00 57.45 56.72 3jz4 n PHE 281 Cb 0.81 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.33 3jz4 n PHE 281 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3jz4 s ARG 282 N -1.66 4.17 -1.40 -1.08 3.52 -1.18 -2.25 118.95 119.08 3jz4 s ARG 282 Ca 0.33 2.48 -0.09 0.00 -0.13 0.00 0.00 55.73 58.32 3jz4 s ARG 282 Cb 0.21 -3.06 0.06 0.00 -1.56 0.00 0.00 34.95 30.60 3jz4 s ARG 282 CO 0.30 -0.57 0.60 -1.71 -0.81 0.00 0.00 175.30 173.11 3jz4 n ASN 283 N 2.37 -4.55 -2.52 -2.12 5.15 -1.26 -0.85 115.26 111.48 3jz4 n ASN 283 Ca 0.08 -0.42 -0.15 0.00 -0.60 0.00 0.00 54.58 53.50 3jz4 n ASN 283 Cb 0.38 -3.71 -0.00 0.00 -0.53 0.00 0.00 39.78 35.92 3jz4 n ASN 283 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jz4 n ALA 284 N -3.70 -0.78 -1.00 5.20 0.00 -0.95 -0.53 120.51 118.75 3jz4 n ALA 284 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 3jz4 n ALA 284 Cb 0.56 -1.78 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 3jz4 n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jz4 n GLY 285 N -0.89 0.47 2.76 0.00 0.00 -0.03 -2.44 105.19 105.07 3jz4 n GLY 285 Ca -0.15 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3jz4 n GLY 285 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jz4 n GLN 286 N -2.96 5.09 -3.87 1.61 6.02 0.32 -2.61 117.38 120.98 3jz4 n GLN 286 Ca -0.00 -4.59 -0.12 0.00 -0.01 0.00 0.00 57.00 52.28 3jz4 n GLN 286 Cb 0.01 -2.49 -0.13 0.00 1.02 0.00 0.00 30.24 28.64 3jz4 n GLN 286 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3jz4 s THR 287 N -3.69 0.01 -0.09 5.09 2.01 -1.26 -4.86 115.64 112.84 3jz4 s THR 287 Ca 0.37 -0.10 0.30 0.00 0.31 0.00 0.00 61.69 62.57 3jz4 s THR 287 Cb 0.14 -0.08 0.34 0.00 0.01 0.00 0.00 72.50 72.90 3jz4 s THR 287 CO -0.05 -0.06 1.89 0.00 -0.69 0.00 0.00 174.62 175.72 3jz4 n VAL 289 N -2.74 0.57 -1.75 0.00 0.24 -1.26 -4.19 118.33 109.19 3jz4 n VAL 289 Ca 0.01 -0.78 -0.41 0.00 -2.04 0.00 0.00 64.34 61.11 3jz4 n VAL 289 Cb 0.25 0.80 -0.00 0.00 -1.47 0.00 0.00 33.84 33.43 3jz4 n VAL 289 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3jz4 n ALA 291 N 0.49 1.14 -0.01 0.00 0.00 -1.22 -4.00 120.51 116.92 3jz4 n ALA 291 Ca 0.02 0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.84 3jz4 n ALA 291 Cb 0.38 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 3jz4 n ALA 291 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3jz4 n ASN 292 N 5.02 3.94 -3.69 0.00 5.15 0.36 -4.65 115.26 121.39 3jz4 n ASN 292 Ca 0.20 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.97 3jz4 n ASN 292 Cb 0.29 1.07 -0.18 0.00 -0.53 0.00 0.00 39.78 40.44 3jz4 n ASN 292 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3jz4 s ARG 293 N -2.27 0.03 -0.45 1.20 0.52 -0.72 -4.50 118.95 112.76 3jz4 s ARG 293 Ca -0.02 0.34 -0.12 0.00 -0.52 0.00 0.00 55.73 55.41 3jz4 s ARG 293 Cb 0.03 -0.58 0.09 0.00 0.52 0.00 0.00 34.95 35.00 3jz4 s ARG 293 CO 0.19 -0.33 0.34 -0.51 0.02 0.00 0.00 175.30 175.01 3jz4 s LEU 294 N 2.14 5.48 -0.28 2.53 1.02 -0.81 0.46 118.68 129.21 3jz4 s LEU 294 Ca 0.05 -1.51 -0.14 0.00 0.02 0.00 0.00 54.13 52.55 3jz4 s LEU 294 Cb -0.12 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 3jz4 s LEU 294 CO -0.03 -0.62 0.34 -0.31 0.02 0.00 0.00 176.35 175.74 3jz4 s TYR 295 N 1.51 3.24 -0.09 0.29 2.02 0.86 0.54 117.35 125.72 3jz4 s TYR 295 Ca 0.04 0.32 0.02 0.00 -0.37 0.00 0.00 57.07 57.08 3jz4 s TYR 295 Cb -0.24 -2.55 0.01 0.00 -0.40 0.00 0.00 41.96 38.78 3jz4 s TYR 295 CO 0.03 -0.23 -0.15 0.08 -1.57 0.00 0.00 175.55 173.72 3jz4 s VAL 296 N 2.01 1.38 0.51 0.71 1.01 -0.08 0.28 120.40 126.23 3jz4 s VAL 296 Ca 0.13 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 3jz4 s VAL 296 Cb -0.16 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 3jz4 s VAL 296 CO 0.10 0.41 1.28 -1.58 0.00 0.00 0.00 175.10 175.31 3jz4 s GLN 297 N 0.80 3.38 0.28 2.72 0.74 0.09 -2.37 119.66 125.30 3jz4 s GLN 297 Ca -0.11 2.04 -0.06 0.00 0.05 0.00 0.00 55.36 57.28 3jz4 s GLN 297 Cb -0.16 -2.31 0.50 0.00 1.10 0.00 0.00 33.01 32.15 3jz4 s GLN 297 CO 0.02 -0.93 1.57 -0.44 -0.55 0.00 0.00 175.29 174.96 3jz4 h ASP 298 N 1.68 -0.75 0.08 6.67 3.32 -1.36 -0.79 116.42 125.26 3jz4 h ASP 298 Ca -0.50 0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3jz4 h ASP 298 Cb 1.28 0.55 -0.00 0.00 0.22 0.00 0.00 39.33 41.38 3jz4 h ASP 298 CO 0.58 -0.31 -0.03 1.23 -1.72 0.00 0.00 179.24 178.99 3jz4 h GLY 299 N 0.01 0.00 0.00 2.75 0.00 -1.91 -3.14 103.07 100.78 3jz4 h GLY 299 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3jz4 h GLY 299 CO -0.94 0.00 0.00 3.33 0.00 0.00 0.00 176.54 178.93 3jz4 n VAL 300 N -3.86 0.39 0.06 4.60 0.24 -0.43 -4.82 118.33 114.50 3jz4 n VAL 300 Ca -0.03 -0.62 -0.12 0.00 -2.04 0.00 0.00 64.34 61.53 3jz4 n VAL 300 Cb 0.12 0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 3jz4 n VAL 300 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3jz4 h TYR 301 N 0.00 -1.01 -0.17 6.34 3.20 -1.18 -0.56 116.97 123.59 3jz4 h TYR 301 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3jz4 h TYR 301 Cb 0.31 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3jz4 h TYR 301 CO 0.00 -0.45 0.08 -0.44 -1.64 0.00 0.00 178.16 175.71 3jz4 h ASP 302 N -0.51 0.22 -0.59 -2.11 3.32 -1.88 -0.91 116.42 113.96 3jz4 h ASP 302 Ca 0.06 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3jz4 h ASP 302 Cb 0.60 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3jz4 h ASP 302 CO -0.30 0.28 0.39 0.03 -1.72 0.00 0.00 179.24 177.92 3jz4 h ARG 303 N 0.15 0.76 -0.28 3.56 3.08 -1.89 -1.88 114.38 117.89 3jz4 h ARG 303 Ca 0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3jz4 h ARG 303 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3jz4 h ARG 303 CO -0.01 0.50 0.16 0.35 -1.07 0.00 0.00 179.97 179.90 3jz4 h PHE 304 N 0.79 0.39 -0.75 3.04 3.57 -0.87 -1.63 116.94 121.47 3jz4 h PHE 304 Ca 0.22 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3jz4 h PHE 304 Cb -0.08 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3jz4 h PHE 304 CO -0.04 0.32 0.49 0.00 -2.23 0.00 0.00 178.31 176.85 3jz4 h ALA 305 N 1.03 0.95 -0.27 2.41 0.00 -1.00 0.23 119.26 122.61 3jz4 h ALA 305 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3jz4 h ALA 305 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3jz4 h ALA 305 CO -0.02 0.36 0.14 1.49 0.00 0.00 0.00 179.25 181.22 3jz4 h GLU 306 N 1.01 0.39 -0.36 0.00 4.22 -1.20 -1.66 114.58 116.98 3jz4 h GLU 306 Ca 0.27 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 59.60 3jz4 h GLU 306 Cb -0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3jz4 h GLU 306 CO -0.06 0.37 -0.01 0.87 -2.18 0.00 0.00 179.01 178.00 3jz4 h LYS 307 N 0.31 0.65 -0.62 1.92 1.57 -0.88 -1.66 116.57 117.86 3jz4 h LYS 307 Ca 0.09 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3jz4 h LYS 307 Cb 0.11 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3jz4 h LYS 307 CO -0.01 0.77 0.36 1.25 -0.57 0.00 0.00 179.45 181.25 3jz4 h LEU 308 N 0.46 0.57 -0.89 2.94 5.85 -0.50 -0.92 115.31 122.83 3jz4 h LEU 308 Ca 0.10 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3jz4 h LEU 308 Cb 0.48 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3jz4 h LEU 308 CO 0.02 0.39 0.22 -0.61 -0.34 0.00 0.00 178.44 178.12 3jz4 h GLN 309 N 0.70 1.04 -0.37 1.25 4.15 -1.10 -0.22 115.11 120.56 3jz4 h GLN 309 Ca 0.26 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3jz4 h GLN 309 Cb 0.08 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3jz4 h GLN 309 CO -0.13 0.88 0.21 1.96 -1.93 0.00 0.00 178.83 179.82 3jz4 h GLN 310 N 1.00 0.51 -0.28 1.69 7.50 -0.81 -3.09 115.11 121.64 3jz4 h GLN 310 Ca 0.22 -0.06 -0.07 0.00 0.50 0.00 0.00 58.65 59.24 3jz4 h GLN 310 Cb 0.27 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 3jz4 h GLN 310 CO -0.01 0.41 -0.15 0.00 -1.50 0.00 0.00 178.83 177.58 3jz4 h ALA 311 N 1.07 1.24 0.00 3.87 0.00 -0.72 -2.85 119.26 121.86 3jz4 h ALA 311 Ca 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3jz4 h ALA 311 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3jz4 h ALA 311 CO -0.02 0.50 -0.11 0.52 0.00 0.00 0.00 179.25 180.13 3jz4 h MET 312 N 0.44 0.00 0.00 0.00 2.07 -0.97 -2.94 114.93 113.53 3jz4 h MET 312 Ca 0.08 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.67 3jz4 h MET 312 Cb 0.52 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.24 3jz4 h MET 312 CO 0.03 0.11 -0.20 0.66 1.07 0.00 0.00 176.91 178.58 3jz4 h SER 313 N 0.00 0.00 -0.64 1.22 4.64 -1.43 -2.71 113.55 114.63 3jz4 h SER 313 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3jz4 h SER 313 Cb 0.52 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.48 3jz4 h SER 313 CO 0.01 0.20 0.29 0.29 -0.87 0.00 0.00 176.83 176.76 3jz4 n LYS 314 N -4.06 2.88 -3.64 4.77 5.02 -1.11 -4.81 118.16 117.22 3jz4 n LYS 314 Ca -0.02 -2.41 -0.37 0.00 -2.02 0.00 0.00 58.31 53.49 3jz4 n LYS 314 Cb 0.28 -2.00 -0.07 0.00 -0.02 0.00 0.00 35.03 33.22 3jz4 n LYS 314 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jz4 s LEU 315 N -2.40 4.34 -0.17 -0.35 1.43 -1.02 -5.02 118.68 115.47 3jz4 s LEU 315 Ca 0.44 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 3jz4 s LEU 315 Cb 0.36 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 44.28 3jz4 s LEU 315 CO 0.10 0.25 -0.19 -1.00 0.23 0.00 0.00 176.35 175.74 3jz4 s HIS 316 N -0.32 2.77 0.08 0.29 3.76 -1.26 -4.98 115.29 115.62 3jz4 s HIS 316 Ca 0.17 -1.51 -0.20 0.00 -0.15 0.00 0.00 55.06 53.37 3jz4 s HIS 316 Cb -0.13 -1.91 -0.07 0.00 1.11 0.00 0.00 32.58 31.58 3jz4 s HIS 316 CO 0.06 -0.74 0.60 0.42 -0.85 0.00 0.00 174.74 174.23 3jz4 s ILE 317 N 1.19 4.71 -3.49 0.60 1.09 -1.26 -0.16 121.20 123.88 3jz4 s ILE 317 Ca 0.02 1.28 0.00 0.00 -1.10 0.00 0.00 60.65 60.86 3jz4 s ILE 317 Cb -0.14 -3.93 0.00 0.00 -1.06 0.00 0.00 42.46 37.33 3jz4 s ILE 317 CO -0.10 0.54 0.00 0.61 -0.10 0.00 0.00 174.94 175.89 3jz4 n GLY 318 N 1.78 -1.14 3.69 6.18 0.00 -0.59 -4.96 105.19 110.15 3jz4 n GLY 318 Ca -0.09 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3jz4 n GLY 318 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jz4 s ASP 319 N -4.00 6.58 0.13 1.61 -1.08 -1.26 -4.24 116.67 114.42 3jz4 s ASP 319 Ca 0.00 2.53 0.09 0.00 -0.52 0.00 0.00 52.55 54.65 3jz4 s ASP 319 Cb 0.00 -2.56 0.50 0.00 -1.46 0.00 0.00 42.92 39.40 3jz4 s ASP 319 CO 0.00 -0.90 1.29 0.61 0.52 0.00 0.00 175.17 176.69 3jz4 n GLY 320 N 4.01 -0.67 0.00 2.66 0.00 -1.26 -0.75 105.19 109.19 3jz4 n GLY 320 Ca 0.16 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.39 3jz4 n GLY 320 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jz4 n LEU 321 N -1.82 0.39 -4.87 0.99 4.77 -1.26 -1.10 117.00 114.11 3jz4 n LEU 321 Ca -0.00 0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 3jz4 n LEU 321 Cb 0.02 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3jz4 n LEU 321 CO 0.04 0.08 0.28 -1.81 -1.33 0.00 0.00 177.39 174.65 3jz4 s ASP 322 N -3.08 6.68 0.18 -1.43 1.01 0.07 -4.98 116.67 115.12 3jz4 s ASP 322 Ca 0.11 1.03 -0.32 0.00 0.71 0.00 0.00 52.55 54.08 3jz4 s ASP 322 Cb 0.18 -2.27 -0.12 0.00 1.01 0.00 0.00 42.92 41.72 3jz4 s ASP 322 CO 0.66 -0.10 1.75 0.59 0.21 0.00 0.00 175.17 178.27 3jz4 n ASN 323 N -0.17 3.96 0.00 0.27 3.02 -1.26 -3.02 115.26 118.06 3jz4 n ASN 323 Ca 0.01 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 3jz4 n ASN 323 Cb 0.53 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 3jz4 n ASN 323 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jz4 n GLY 324 N 4.01 1.24 3.71 7.41 0.00 -1.26 -5.01 105.19 115.30 3jz4 n GLY 324 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3jz4 n GLY 324 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jz4 s VAL 325 N -3.50 3.39 0.00 1.61 1.01 -1.17 -4.57 120.40 117.18 3jz4 s VAL 325 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3jz4 s VAL 325 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3jz4 s VAL 325 CO 0.00 0.07 0.09 0.35 0.00 0.00 0.00 175.10 175.62 3jz4 n THR 326 N 3.98 0.00 -3.86 3.92 -2.24 0.77 -4.80 114.28 112.05 3jz4 n THR 326 Ca 0.11 -0.42 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 3jz4 n THR 326 Cb 0.43 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 3jz4 n THR 326 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3jz4 s ILE 327 N -0.66 0.97 0.09 2.28 -1.09 -0.55 -4.84 121.20 117.41 3jz4 s ILE 327 Ca 0.00 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 3jz4 s ILE 327 Cb 0.00 -1.17 0.02 0.00 -1.58 0.00 0.00 42.46 39.73 3jz4 s ILE 327 CO 0.00 0.13 0.13 0.61 -1.23 0.00 0.00 174.94 174.57 3jz4 n GLY 328 N 4.92 -0.34 3.85 6.18 0.00 -1.26 -1.54 105.19 117.01 3jz4 n GLY 328 Ca -0.11 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 3jz4 n GLY 328 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jz4 s PRO 329 N -3.03 2.68 0.84 1.61 0.04 -1.26 -4.79 135.00 131.08 3jz4 s PRO 329 Ca 0.08 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 61.61 3jz4 s PRO 329 Cb -0.00 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.64 3jz4 s PRO 329 CO 0.05 -1.19 1.13 -0.51 0.04 0.00 0.00 177.00 176.52 3jz4 s LEU 330 N -5.50 2.37 0.37 -3.56 1.43 0.59 -4.75 118.68 109.62 3jz4 s LEU 330 Ca 0.59 1.02 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 3jz4 s LEU 330 Cb -0.12 -3.51 0.73 0.00 0.03 0.00 0.00 46.19 43.32 3jz4 s LEU 330 CO 0.53 -2.12 1.94 -0.29 0.23 0.00 0.00 176.35 176.64 3jz4 h ILE 331 N -1.20 1.16 -2.58 -0.59 6.09 -1.87 -3.45 117.51 115.08 3jz4 h ILE 331 Ca -0.48 -0.61 0.13 0.00 -1.37 0.00 0.00 64.86 62.53 3jz4 h ILE 331 Cb 1.31 0.89 -0.04 0.00 0.47 0.00 0.00 36.82 39.45 3jz4 h ILE 331 CO 0.62 0.21 0.48 1.51 -3.07 0.00 0.00 178.15 177.90 3jz4 s ASP 332 N -6.77 -0.07 0.28 2.19 1.47 -1.26 -4.77 116.67 107.74 3jz4 s ASP 332 Ca -0.07 -0.67 0.01 0.00 1.18 0.00 0.00 52.55 53.00 3jz4 s ASP 332 Cb 0.16 0.57 0.58 0.00 -0.34 0.00 0.00 42.92 43.89 3jz4 s ASP 332 CO 0.75 -1.11 1.80 1.05 0.68 0.00 0.00 175.17 178.34 3jz4 h GLU 333 N 2.00 0.82 -0.44 2.11 -0.00 -1.91 -2.13 114.58 115.03 3jz4 h GLU 333 Ca -0.27 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.03 3jz4 h GLU 333 Cb 1.23 -0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 29.77 3jz4 h GLU 333 CO 0.33 0.54 0.22 0.87 -0.00 0.00 0.00 179.01 180.97 3jz4 h LYS 334 N 0.84 0.60 -0.30 1.06 6.56 -1.98 0.09 116.57 123.44 3jz4 h LYS 334 Ca 0.50 -0.06 -0.07 0.00 -1.06 0.00 0.00 60.65 59.96 3jz4 h LYS 334 Cb 0.61 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.14 3jz4 h LYS 334 CO -0.31 0.46 -0.08 0.00 -2.06 0.00 0.00 179.45 177.46 3jz4 h ALA 335 N 1.64 0.42 -0.54 3.86 0.00 -1.80 -1.94 119.26 120.90 3jz4 h ALA 335 Ca 0.15 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3jz4 h ALA 335 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3jz4 h ALA 335 CO -0.02 0.25 0.34 0.28 0.00 0.00 0.00 179.25 180.10 3jz4 h VAL 336 N 0.36 1.10 -0.79 0.00 2.07 -1.17 -2.57 116.25 115.25 3jz4 h VAL 336 Ca 0.08 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3jz4 h VAL 336 Cb 0.57 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3jz4 h VAL 336 CO 0.03 0.13 0.52 0.00 0.02 0.00 0.00 177.57 178.26 3jz4 h ALA 337 N 1.22 1.52 -0.34 1.67 0.00 -0.83 -1.35 119.26 121.15 3jz4 h ALA 337 Ca 0.21 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3jz4 h ALA 337 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3jz4 h ALA 337 CO -0.07 0.40 -0.41 -0.22 0.00 0.00 0.00 179.25 178.96 3jz4 h LYS 338 N 0.97 0.83 -0.63 0.00 3.64 -0.97 -1.35 116.57 119.07 3jz4 h LYS 338 Ca 0.31 -0.44 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 3jz4 h LYS 338 Cb 0.03 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3jz4 h LYS 338 CO -0.09 1.08 0.17 0.28 -2.27 0.00 0.00 179.45 178.62 3jz4 h VAL 339 N 0.68 1.24 -0.35 2.00 2.07 -1.12 -0.40 116.25 120.36 3jz4 h VAL 339 Ca 0.05 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.57 3jz4 h VAL 339 Cb 0.98 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3jz4 h VAL 339 CO 0.09 0.33 -0.28 -0.33 0.02 0.00 0.00 177.57 177.40 3jz4 h GLU 340 N 0.94 0.82 -0.94 1.57 5.08 -1.10 -2.26 114.58 118.68 3jz4 h GLU 340 Ca 0.20 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3jz4 h GLU 340 Cb 0.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3jz4 h GLU 340 CO -0.00 1.04 0.56 1.49 -1.00 0.00 0.00 179.01 181.10 3jz4 h GLU 341 N 0.60 1.28 -0.70 2.33 4.81 -1.04 0.06 114.58 121.92 3jz4 h GLU 341 Ca 0.06 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3jz4 h GLU 341 Cb 0.86 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3jz4 h GLU 341 CO 0.07 0.90 0.17 0.45 -0.73 0.00 0.00 179.01 179.87 3jz4 h HIS 342 N 1.30 1.17 0.04 0.92 3.86 -0.92 -1.04 115.15 120.47 3jz4 h HIS 342 Ca 0.34 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3jz4 h HIS 342 Cb -0.05 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.09 3jz4 h HIS 342 CO 0.01 0.95 -0.02 0.82 0.86 0.00 0.00 177.93 180.55 3jz4 h ILE 343 N 1.05 1.31 -0.39 2.45 2.04 -1.15 -1.53 117.51 121.29 3jz4 h ILE 343 Ca 0.22 -1.19 0.08 0.00 1.00 0.00 0.00 64.86 64.97 3jz4 h ILE 343 Cb 0.37 2.09 -0.08 0.00 -0.74 0.00 0.00 36.82 38.47 3jz4 h ILE 343 CO 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 178.15 178.34 3jz4 h ALA 344 N 0.34 0.24 -0.74 1.87 0.00 -0.99 -0.21 119.26 119.78 3jz4 h ALA 344 Ca -0.01 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3jz4 h ALA 344 Cb 0.53 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3jz4 h ALA 344 CO 0.01 -0.47 0.45 0.22 0.00 0.00 0.00 179.25 179.47 3jz4 h ASP 345 N -0.02 0.72 -0.08 0.00 1.82 -1.19 -1.43 116.42 116.25 3jz4 h ASP 345 Ca 0.19 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.84 3jz4 h ASP 345 Cb 0.31 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.17 3jz4 h ASP 345 CO -0.41 0.49 0.04 0.00 -1.61 0.00 0.00 179.24 177.75 3jz4 h ALA 346 N 1.33 0.10 -0.55 -0.78 0.00 -0.42 -2.99 119.26 115.96 3jz4 h ALA 346 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3jz4 h ALA 346 Cb 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3jz4 h ALA 346 CO -0.14 -0.37 0.35 -0.07 0.00 0.00 0.00 179.25 179.02 3jz4 h LEU 347 N 0.04 0.65 -1.19 0.00 4.07 -0.66 -1.03 115.31 117.18 3jz4 h LEU 347 Ca 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3jz4 h LEU 347 Cb 0.07 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.65 3jz4 h LEU 347 CO -0.00 0.50 0.00 1.05 -1.08 0.00 0.00 178.44 178.90 3jz4 h GLU 348 N 0.74 0.00 -0.56 1.13 4.11 -1.28 -1.28 114.58 117.45 3jz4 h GLU 348 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3jz4 h GLU 348 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3jz4 h GLU 348 CO -0.04 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.67 3jz4 n LYS 349 N -2.43 3.85 -0.01 1.06 5.02 -0.66 -4.95 118.16 120.05 3jz4 n LYS 349 Ca 0.00 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 3jz4 n LYS 349 Cb 0.17 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 3jz4 n LYS 349 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jz4 n GLY 350 N 0.73 0.76 3.81 0.72 0.00 -0.48 -4.68 105.19 106.05 3jz4 n GLY 350 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 3jz4 n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jz4 s ALA 351 N -2.01 2.50 -0.04 4.61 0.00 -0.48 -4.87 121.76 121.48 3jz4 s ALA 351 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3jz4 s ALA 351 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3jz4 s ALA 351 CO 0.00 -1.43 -0.11 0.50 0.00 0.00 0.00 175.76 174.72 3jz4 s ARG 352 N -5.06 1.21 -0.21 0.00 3.52 -0.26 -4.49 118.95 113.65 3jz4 s ARG 352 Ca 0.59 -0.36 -0.25 0.00 -0.13 0.00 0.00 55.73 55.58 3jz4 s ARG 352 Cb -0.14 -1.09 -0.01 0.00 -1.56 0.00 0.00 34.95 32.15 3jz4 s ARG 352 CO 0.55 0.11 0.83 0.08 -0.81 0.00 0.00 175.30 176.06 3jz4 s VAL 353 N 0.28 4.85 -0.11 7.11 1.01 -1.26 -0.73 120.40 131.56 3jz4 s VAL 353 Ca -0.06 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.32 3jz4 s VAL 353 Cb -0.11 -4.12 -0.17 0.00 0.00 0.00 0.00 36.38 31.98 3jz4 s VAL 353 CO 0.01 -0.04 0.59 0.58 0.00 0.00 0.00 175.10 176.25 3jz4 h VAL 354 N 5.34 1.13 -3.77 2.92 2.07 -0.91 -3.49 116.25 119.54 3jz4 h VAL 354 Ca -0.25 -1.73 -0.09 0.00 0.82 0.00 0.00 66.70 65.45 3jz4 h VAL 354 Cb 1.11 2.09 -0.12 0.00 -1.52 0.00 0.00 31.29 32.85 3jz4 h VAL 354 CO 0.86 0.37 -0.25 0.00 0.02 0.00 0.00 177.57 178.57 3jz4 n GLY 356 N -0.25 1.14 0.00 0.00 0.00 -1.25 -2.21 105.19 102.62 3jz4 n GLY 356 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3jz4 n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jz4 n GLY 357 N 0.00 0.56 3.29 -0.02 0.00 -1.26 -4.98 105.19 102.78 3jz4 n GLY 357 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3jz4 n GLY 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jz4 s LYS 358 N -0.99 1.20 0.52 1.61 3.01 -1.26 -5.04 119.74 118.78 3jz4 s LYS 358 Ca 0.00 -1.57 -0.22 0.00 -1.01 0.00 0.00 55.97 53.17 3jz4 s LYS 358 Cb 0.00 -0.59 -0.07 0.00 -1.01 0.00 0.00 37.83 36.17 3jz4 s LYS 358 CO 0.00 -0.03 1.17 0.00 0.51 0.00 0.00 175.35 177.00 3jz4 n ALA 359 N -0.31 0.89 -1.49 5.17 0.00 -1.26 -2.54 120.51 120.97 3jz4 n ALA 359 Ca -0.07 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 3jz4 n ALA 359 Cb 0.62 -2.22 0.07 0.00 0.00 0.00 0.00 19.45 17.92 3jz4 n ALA 359 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3jz4 s HIS 360 N -1.34 2.30 0.39 0.00 2.46 -0.59 -4.64 115.29 113.87 3jz4 s HIS 360 Ca 0.70 1.57 0.16 0.00 0.47 0.00 0.00 55.06 57.96 3jz4 s HIS 360 Cb -0.45 -3.38 1.05 0.00 -0.13 0.00 0.00 32.58 29.67 3jz4 s HIS 360 CO 0.51 -2.23 1.79 1.49 -2.47 0.00 0.00 174.74 173.83 3jz4 h GLU 361 N 0.06 0.44 0.00 2.88 4.81 -1.92 0.42 114.58 121.27 3jz4 h GLU 361 Ca -0.48 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3jz4 h GLU 361 Cb 1.28 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3jz4 h GLU 361 CO 0.52 0.29 -0.04 0.00 -0.73 0.00 0.00 179.01 179.06 3jz4 h ARG 362 N 0.45 0.00 0.00 1.92 3.08 -1.91 -3.49 114.38 114.44 3jz4 h ARG 362 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.62 3jz4 h ARG 362 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3jz4 h ARG 362 CO -0.29 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.05 3jz4 n GLY 363 N -1.44 -0.20 7.00 0.04 0.00 0.14 -4.96 105.19 105.78 3jz4 n GLY 363 Ca -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3jz4 n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jz4 n GLY 364 N 0.00 3.01 0.92 -0.02 0.00 -1.26 -1.68 105.19 106.16 3jz4 n GLY 364 Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 46.02 46.40 3jz4 n GLY 364 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jz4 n ASN 365 N 8.19 3.17 -4.75 1.61 3.02 -1.26 -4.79 115.26 120.45 3jz4 n ASN 365 Ca 0.00 -1.92 -0.39 0.00 -0.03 0.00 0.00 54.58 52.24 3jz4 n ASN 365 Cb 0.00 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 3jz4 n ASN 365 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3jz4 s PHE 366 N -1.13 3.70 0.01 3.10 0.40 -0.68 -0.30 117.98 123.08 3jz4 s PHE 366 Ca 0.32 1.31 0.02 0.00 -0.60 0.00 0.00 56.93 57.98 3jz4 s PHE 366 Cb 0.18 -2.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 3jz4 s PHE 366 CO 0.24 0.31 -0.07 0.12 0.70 0.00 0.00 175.22 176.52 3jz4 s PHE 367 N -0.10 0.61 0.14 0.36 5.36 -1.26 -1.54 117.98 121.54 3jz4 s PHE 367 Ca 0.34 -0.19 -0.31 0.00 -0.96 0.00 0.00 56.93 55.81 3jz4 s PHE 367 Cb -0.19 -0.38 -0.08 0.00 -0.34 0.00 0.00 43.02 42.02 3jz4 s PHE 367 CO 0.19 -0.02 1.37 -0.65 -1.46 0.00 0.00 175.22 174.65 3jz4 s GLN 368 N -0.48 4.34 0.20 10.12 -0.21 -1.05 -4.69 119.66 127.89 3jz4 s GLN 368 Ca -0.00 2.07 -0.33 0.00 0.02 0.00 0.00 55.36 57.12 3jz4 s GLN 368 Cb -0.04 -3.23 -0.14 0.00 1.00 0.00 0.00 33.01 30.60 3jz4 s GLN 368 CO -0.00 -0.39 1.47 -2.30 -2.12 0.00 0.00 175.29 171.95 3jz4 n PRO 369 N 3.62 2.03 -4.34 2.91 -0.02 -1.26 -4.25 135.00 133.69 3jz4 n PRO 369 Ca 0.10 0.73 -0.22 0.00 -2.02 0.00 0.00 63.50 62.09 3jz4 n PRO 369 Cb 0.42 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.31 3jz4 n PRO 369 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3jz4 s THR 370 N 0.37 0.81 -0.19 3.45 2.01 0.46 -3.85 115.64 118.70 3jz4 s THR 370 Ca 0.73 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 3jz4 s THR 370 Cb -0.68 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 3jz4 s THR 370 CO 0.45 0.29 0.03 -0.63 -0.69 0.00 0.00 174.62 174.07 3jz4 s ILE 371 N 0.83 4.38 -0.07 1.82 1.01 -0.94 0.30 121.20 128.53 3jz4 s ILE 371 Ca -0.12 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3jz4 s ILE 371 Cb -0.15 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3jz4 s ILE 371 CO 0.01 0.44 -0.12 -0.76 0.00 0.00 0.00 174.94 174.51 3jz4 s LEU 372 N 0.72 2.84 0.45 2.97 1.43 -0.54 -0.16 118.68 126.39 3jz4 s LEU 372 Ca 0.02 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3jz4 s LEU 372 Cb -0.14 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3jz4 s LEU 372 CO 0.02 0.31 0.03 0.68 0.23 0.00 0.00 176.35 177.62 3jz4 s VAL 373 N -0.49 1.32 -1.44 -1.59 -7.23 0.10 -0.20 120.40 110.87 3jz4 s VAL 373 Ca 0.07 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.18 3jz4 s VAL 373 Cb -0.12 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.37 3jz4 s VAL 373 CO 0.02 0.00 0.66 0.47 -0.31 0.00 0.00 175.10 175.94 3jz4 n ASP 374 N -1.13 -1.80 -4.58 4.85 8.00 -1.26 -1.10 116.55 119.52 3jz4 n ASP 374 Ca -0.12 -0.91 -0.41 0.00 0.71 0.00 0.00 54.79 54.07 3jz4 n ASP 374 Cb 0.67 -3.48 -0.08 0.00 -0.02 0.00 0.00 41.12 38.21 3jz4 n ASP 374 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jz4 s VAL 375 N -3.66 5.03 0.51 2.53 1.01 -1.26 -3.31 120.40 121.25 3jz4 s VAL 375 Ca 0.22 0.57 -0.21 0.00 0.00 0.00 0.00 61.98 62.56 3jz4 s VAL 375 Cb -0.12 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3jz4 s VAL 375 CO 0.86 -0.10 1.17 -2.16 0.00 0.00 0.00 175.10 174.86 3jz4 s PRO 376 N 2.39 3.48 0.12 2.72 0.04 -1.26 -4.92 135.00 137.55 3jz4 s PRO 376 Ca 0.20 1.75 0.12 0.00 0.04 0.00 0.00 61.00 63.12 3jz4 s PRO 376 Cb -0.15 -2.19 0.59 0.00 0.04 0.00 0.00 34.50 32.78 3jz4 s PRO 376 CO 0.12 -0.78 1.38 0.00 0.04 0.00 0.00 177.00 177.76 3jz4 n ALA 377 N -0.95 1.28 1.20 8.56 0.00 -1.26 -1.17 120.51 128.16 3jz4 n ALA 377 Ca 0.10 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.71 3jz4 n ALA 377 Cb 0.49 -1.19 0.35 0.00 0.00 0.00 0.00 19.45 19.09 3jz4 n ALA 377 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3jz4 n ASN 378 N -1.80 2.15 -4.77 0.00 6.94 -1.26 -4.71 115.26 111.81 3jz4 n ASN 378 Ca 0.01 -1.73 -0.39 0.00 -0.02 0.00 0.00 54.58 52.45 3jz4 n ASN 378 Cb 0.09 -0.04 -0.01 0.00 -2.36 0.00 0.00 39.78 37.45 3jz4 n ASN 378 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3jz4 s ALA 379 N -1.92 3.24 0.36 -2.53 0.00 -0.32 -4.92 121.76 115.67 3jz4 s ALA 379 Ca 0.34 1.11 0.12 0.00 0.00 0.00 0.00 51.96 53.54 3jz4 s ALA 379 Cb 0.20 -3.43 0.94 0.00 0.00 0.00 0.00 23.12 20.82 3jz4 s ALA 379 CO 0.31 -0.66 1.79 0.87 0.00 0.00 0.00 175.76 178.07 3jz4 h LYS 380 N 2.78 0.54 0.00 0.00 1.57 -1.89 -1.48 116.57 118.10 3jz4 h LYS 380 Ca -0.49 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 3jz4 h LYS 380 Cb 1.24 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3jz4 h LYS 380 CO 0.63 0.36 -0.15 -0.24 -0.57 0.00 0.00 179.45 179.48 3jz4 h VAL 381 N 0.56 0.35 -0.00 0.50 3.04 -1.85 0.12 116.25 118.96 3jz4 h VAL 381 Ca 0.57 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3jz4 h VAL 381 Cb 1.17 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 3jz4 h VAL 381 CO -0.32 0.15 -0.30 -1.54 -1.01 0.00 0.00 177.57 174.54 3jz4 n SER 382 N -3.26 0.33 -0.01 3.17 3.41 -0.57 -4.28 113.62 112.41 3jz4 n SER 382 Ca 0.01 -0.01 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 3jz4 n SER 382 Cb 0.42 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 3jz4 n SER 382 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jz4 n LYS 383 N -1.46 2.24 -4.32 4.33 4.76 -0.88 -5.02 118.16 117.80 3jz4 n LYS 383 Ca 0.07 -0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.24 3jz4 n LYS 383 Cb 0.33 -1.10 -0.09 0.00 -1.84 0.00 0.00 35.03 32.34 3jz4 n LYS 383 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3jz4 s GLU 384 N -2.16 2.09 -0.06 1.97 2.02 0.37 -5.02 118.70 117.91 3jz4 s GLU 384 Ca -0.02 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.25 3jz4 s GLU 384 Cb 0.02 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 3jz4 s GLU 384 CO 0.17 0.39 1.46 -2.00 0.02 0.00 0.00 175.26 175.29 3jz4 s GLU 385 N -3.32 4.23 -0.11 1.61 2.12 -1.26 -4.76 118.70 117.22 3jz4 s GLU 385 Ca 0.29 1.97 -0.22 0.00 0.36 0.00 0.00 54.97 57.37 3jz4 s GLU 385 Cb -0.07 -3.77 -0.27 0.00 0.26 0.00 0.00 34.13 30.28 3jz4 s GLU 385 CO 0.17 -0.71 0.68 1.15 -0.54 0.00 0.00 175.26 176.02 3jz4 h THR 386 N 5.30 1.37 -6.07 -1.70 2.02 -1.89 -3.49 112.91 108.46 3jz4 h THR 386 Ca -0.35 -2.41 -0.42 0.00 0.77 0.00 0.00 66.41 64.00 3jz4 h THR 386 Cb 1.16 2.99 0.06 0.00 -1.74 0.00 0.00 68.15 70.62 3jz4 h THR 386 CO 0.94 0.64 -0.81 0.49 0.37 0.00 0.00 175.52 177.14 3jz4 n PHE 387 N -4.22 -2.00 -3.80 3.16 3.01 -1.25 -4.72 117.46 107.63 3jz4 n PHE 387 Ca -0.18 0.86 -0.05 0.00 1.01 0.00 0.00 57.45 59.09 3jz4 n PHE 387 Cb 0.74 -4.43 -0.01 0.00 -0.01 0.00 0.00 39.48 35.77 3jz4 n PHE 387 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3jz4 s GLY 388 N -4.23 -0.13 -1.18 1.37 0.00 -1.07 -4.53 107.32 97.54 3jz4 s GLY 388 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.61 3jz4 s GLY 388 CO 0.80 0.04 3.06 -1.55 0.00 0.00 0.00 173.10 175.45 3jz4 n PRO 389 N -0.48 3.36 -4.04 2.90 -0.05 -1.02 -4.50 135.00 131.17 3jz4 n PRO 389 Ca -0.05 -2.05 -0.31 0.00 -0.05 0.00 0.00 63.50 61.03 3jz4 n PRO 389 Cb 0.60 -2.58 -0.15 0.00 -0.05 0.00 0.00 33.50 31.32 3jz4 n PRO 389 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 3jz4 s LEU 390 N -0.18 2.78 -0.53 1.53 2.96 -1.26 -0.40 118.68 123.57 3jz4 s LEU 390 Ca 0.67 -1.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.43 3jz4 s LEU 390 Cb 0.22 -1.39 0.14 0.00 0.50 0.00 0.00 46.19 45.66 3jz4 s LEU 390 CO -0.06 -0.15 0.37 0.00 -1.32 0.00 0.00 176.35 175.19 3jz4 s ALA 391 N 1.26 3.44 0.16 5.97 0.00 0.15 -4.92 121.76 127.81 3jz4 s ALA 391 Ca -0.04 -2.86 -0.30 0.00 0.00 0.00 0.00 51.96 48.76 3jz4 s ALA 391 Cb -0.18 -2.69 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 3jz4 s ALA 391 CO -0.07 -1.97 0.95 -1.25 0.00 0.00 0.00 175.76 173.42 3jz4 s PRO 392 N 0.69 4.75 -0.19 0.00 0.04 -1.26 -1.47 135.00 137.56 3jz4 s PRO 392 Ca 0.11 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 3jz4 s PRO 392 Cb -0.22 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 3jz4 s PRO 392 CO -0.03 0.33 0.08 -0.51 0.04 0.00 0.00 177.00 176.90 3jz4 s LEU 393 N -0.43 3.91 -0.11 -3.56 1.02 0.72 -1.93 118.68 118.32 3jz4 s LEU 393 Ca 0.45 0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.74 3jz4 s LEU 393 Cb -0.24 -2.00 -0.00 0.00 0.02 0.00 0.00 46.19 43.97 3jz4 s LEU 393 CO 0.31 0.17 -0.22 -0.36 0.02 0.00 0.00 176.35 176.26 3jz4 s PHE 394 N 0.42 2.60 0.32 0.29 0.08 0.19 -4.35 117.98 117.53 3jz4 s PHE 394 Ca 0.04 -0.99 -0.20 0.00 0.12 0.00 0.00 56.93 55.90 3jz4 s PHE 394 Cb -0.12 -1.73 -0.09 0.00 -0.57 0.00 0.00 43.02 40.50 3jz4 s PHE 394 CO -0.00 -0.39 0.83 0.50 -0.10 0.00 0.00 175.22 176.06 3jz4 s ARG 395 N 0.35 4.26 0.13 0.44 3.52 -1.26 -0.90 118.95 125.50 3jz4 s ARG 395 Ca -0.17 0.99 -0.05 0.00 -0.13 0.00 0.00 55.73 56.36 3jz4 s ARG 395 Cb -0.18 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.62 3jz4 s ARG 395 CO 0.08 0.20 0.16 -0.59 -0.81 0.00 0.00 175.30 174.35 3jz4 s PHE 396 N -1.82 0.57 -0.10 5.12 -0.12 -1.00 -4.84 117.98 115.78 3jz4 s PHE 396 Ca 0.52 -0.95 -0.13 0.00 -0.05 0.00 0.00 56.93 56.32 3jz4 s PHE 396 Cb -0.14 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 3jz4 s PHE 396 CO 0.19 -0.60 -0.25 1.17 -0.05 0.00 0.00 175.22 175.68 3jz4 n LYS 397 N -0.13 0.38 -4.13 1.99 4.81 -1.26 -1.02 118.16 118.79 3jz4 n LYS 397 Ca -0.08 0.15 -0.09 0.00 -0.87 0.00 0.00 58.31 57.42 3jz4 n LYS 397 Cb 0.63 -1.16 -0.10 0.00 0.02 0.00 0.00 35.03 34.42 3jz4 n LYS 397 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 3jz4 s ASP 398 N -5.98 0.71 0.18 3.14 -4.77 -1.26 -4.72 116.67 103.97 3jz4 s ASP 398 Ca -0.21 -1.04 -0.25 0.00 -3.30 0.00 0.00 52.55 47.76 3jz4 s ASP 398 Cb 0.03 0.17 0.06 0.00 -1.09 0.00 0.00 42.92 42.10 3jz4 s ASP 398 CO 0.31 -0.57 1.56 -0.08 0.70 0.00 0.00 175.17 177.09 3jz4 h GLU 399 N 3.03 -0.17 -0.92 2.11 4.81 -1.99 -1.93 114.58 119.52 3jz4 h GLU 399 Ca -0.35 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.98 3jz4 h GLU 399 Cb 1.16 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 3jz4 h GLU 399 CO 0.65 -0.11 0.60 0.00 -0.73 0.00 0.00 179.01 179.41 3jz4 h ALA 400 N 0.74 1.54 0.04 2.92 0.00 -2.00 -1.75 119.26 120.76 3jz4 h ALA 400 Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3jz4 h ALA 400 Cb 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3jz4 h ALA 400 CO -0.75 0.30 -0.02 0.38 0.00 0.00 0.00 179.25 179.15 3jz4 h ASP 401 N 1.00 -0.05 -0.11 0.00 2.03 -1.79 -2.38 116.42 115.11 3jz4 h ASP 401 Ca 0.41 -0.08 -0.10 0.00 -0.73 0.00 0.00 57.03 56.54 3jz4 h ASP 401 Cb 0.29 0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 3jz4 h ASP 401 CO -0.17 0.05 -0.23 1.62 -1.03 0.00 0.00 179.24 179.48 3jz4 h VAL 402 N -0.14 1.26 -0.26 4.15 3.04 -1.06 -1.22 116.25 122.01 3jz4 h VAL 402 Ca -0.01 -1.24 -0.01 0.00 -1.01 0.00 0.00 66.70 64.43 3jz4 h VAL 402 Cb 0.13 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 3jz4 h VAL 402 CO 0.01 0.40 0.14 0.40 -1.01 0.00 0.00 177.57 177.51 3jz4 h ILE 403 N 0.48 1.13 -0.82 3.17 2.04 -1.33 0.14 117.51 122.31 3jz4 h ILE 403 Ca 0.07 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3jz4 h ILE 403 Cb 0.65 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3jz4 h ILE 403 CO 0.05 0.13 0.52 0.00 0.00 0.00 0.00 178.15 178.85 3jz4 h ALA 404 N 1.01 1.07 -0.45 1.87 0.00 -1.19 -1.08 119.26 120.49 3jz4 h ALA 404 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3jz4 h ALA 404 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3jz4 h ALA 404 CO -0.01 0.35 -0.11 1.96 0.00 0.00 0.00 179.25 181.44 3jz4 h GLN 405 N 1.02 0.88 -0.74 0.00 4.20 -0.95 -2.27 115.11 117.24 3jz4 h GLN 405 Ca 0.33 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3jz4 h GLN 405 Cb 0.00 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3jz4 h GLN 405 CO -0.11 0.98 0.32 0.00 -0.67 0.00 0.00 178.83 179.34 3jz4 h ALA 406 N 0.87 0.96 -0.00 3.87 0.00 -0.51 -2.93 119.26 121.52 3jz4 h ALA 406 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3jz4 h ALA 406 Cb 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3jz4 h ALA 406 CO 0.05 0.56 -0.13 0.09 0.00 0.00 0.00 179.25 179.81 3jz4 n ASN 407 N -4.36 0.35 -3.56 0.00 3.02 -0.43 -4.58 115.26 105.70 3jz4 n ASN 407 Ca 0.06 -0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 53.91 3jz4 n ASN 407 Cb 0.16 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 3jz4 n ASN 407 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3jz4 n ASP 408 N -1.16 6.18 -3.52 6.41 2.03 -0.86 -4.80 116.55 120.82 3jz4 n ASP 408 Ca 0.12 -2.77 -0.13 0.00 0.52 0.00 0.00 54.79 52.53 3jz4 n ASP 408 Cb 0.29 -1.59 -0.05 0.00 -0.72 0.00 0.00 41.12 39.06 3jz4 n ASP 408 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3jz4 s THR 409 N 2.33 0.00 0.05 5.18 -1.32 -1.26 -5.03 115.64 115.60 3jz4 s THR 409 Ca 0.56 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.29 3jz4 s THR 409 Cb 0.16 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.40 3jz4 s THR 409 CO -0.07 0.00 1.80 1.05 -2.21 0.00 0.00 174.62 175.19 3jz4 h GLU 410 N 2.57 0.00 -7.38 7.08 9.09 -1.95 -3.45 114.58 120.53 3jz4 h GLU 410 Ca -0.24 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.66 3jz4 h GLU 410 Cb 1.18 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 28.36 3jz4 h GLU 410 CO 0.35 0.20 0.40 -0.06 0.05 0.00 0.00 179.01 179.95 3jz4 s PHE 411 N -3.55 3.43 -0.40 2.06 2.99 -1.26 -1.88 117.98 119.37 3jz4 s PHE 411 Ca 0.01 1.27 0.07 0.00 0.00 0.00 0.00 56.93 58.28 3jz4 s PHE 411 Cb 0.09 -2.83 0.33 0.00 0.00 0.00 0.00 43.02 40.61 3jz4 s PHE 411 CO 0.63 -0.94 1.25 0.41 -0.00 0.00 0.00 175.22 176.58 3jz4 n GLY 412 N -2.61 0.66 0.00 4.36 0.00 -1.22 -4.84 105.19 101.55 3jz4 n GLY 412 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3jz4 n GLY 412 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3jz4 n LEU 413 N -0.20 0.05 -4.63 0.99 7.94 -1.26 -1.74 117.00 118.15 3jz4 n LEU 413 Ca -0.03 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.54 3jz4 n LEU 413 Cb 0.77 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.62 3jz4 n LEU 413 CO -0.05 0.00 -0.35 0.00 -1.11 0.00 0.00 177.39 175.88 3jz4 s ALA 414 N -4.02 3.14 0.09 1.96 0.00 -1.26 -0.97 121.76 120.70 3jz4 s ALA 414 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3jz4 s ALA 414 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 3jz4 s ALA 414 CO 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 175.76 176.30 3jz4 s ALA 415 N -0.99 0.94 0.03 0.00 0.00 0.06 -4.08 121.76 117.71 3jz4 s ALA 415 Ca 0.17 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3jz4 s ALA 415 Cb -0.11 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3jz4 s ALA 415 CO 0.07 -0.18 -0.05 0.71 0.00 0.00 0.00 175.76 176.31 3jz4 s TYR 416 N -3.13 0.44 0.04 0.00 2.02 -0.46 -0.71 117.35 115.54 3jz4 s TYR 416 Ca 0.08 -0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 56.15 3jz4 s TYR 416 Cb 0.02 -0.28 0.03 0.00 -0.40 0.00 0.00 41.96 41.33 3jz4 s TYR 416 CO -0.03 -0.12 0.39 -0.59 -1.57 0.00 0.00 175.55 173.63 3jz4 s PHE 417 N -1.23 -0.24 -0.17 2.71 -0.71 -0.21 -1.07 117.98 117.06 3jz4 s PHE 417 Ca -0.11 0.21 0.01 0.00 -1.04 0.00 0.00 56.93 56.00 3jz4 s PHE 417 Cb -0.09 0.19 0.02 0.00 -1.21 0.00 0.00 43.02 41.94 3jz4 s PHE 417 CO -0.00 -0.55 -0.17 0.71 -1.34 0.00 0.00 175.22 173.87 3jz4 s TYR 418 N -2.37 2.51 0.02 3.49 2.02 0.72 -0.59 117.35 123.14 3jz4 s TYR 418 Ca -0.06 -1.48 -0.28 0.00 -0.37 0.00 0.00 57.07 54.88 3jz4 s TYR 418 Cb -0.01 -1.76 0.07 0.00 -0.40 0.00 0.00 41.96 39.86 3jz4 s TYR 418 CO -0.02 -0.75 0.68 0.00 -1.57 0.00 0.00 175.55 173.89 3jz4 s ALA 419 N 1.38 -1.72 -0.05 3.71 0.00 -1.26 -2.12 121.76 121.69 3jz4 s ALA 419 Ca 0.04 1.02 0.11 0.00 0.00 0.00 0.00 51.96 53.13 3jz4 s ALA 419 Cb -0.13 0.30 -0.16 0.00 0.00 0.00 0.00 23.12 23.12 3jz4 s ALA 419 CO -0.11 -0.52 0.17 0.54 0.00 0.00 0.00 175.76 175.83 3jz4 n ARG 420 N 0.39 1.10 -2.19 0.00 1.74 -1.24 -4.84 116.66 111.61 3jz4 n ARG 420 Ca -0.17 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 3jz4 n ARG 420 Cb 0.60 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.73 3jz4 n ARG 420 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jz4 s ASP 421 N -3.76 6.81 0.14 0.55 2.15 -1.26 -4.94 116.67 116.37 3jz4 s ASP 421 Ca -0.05 2.08 -0.24 0.00 0.43 0.00 0.00 52.55 54.77 3jz4 s ASP 421 Cb 0.06 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 3jz4 s ASP 421 CO 0.48 -0.79 1.62 0.25 -0.17 0.00 0.00 175.17 176.56 3jz4 h LEU 422 N 9.16 -0.86 -0.61 -1.34 5.85 -2.00 -0.73 115.31 124.78 3jz4 h LEU 422 Ca -0.36 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3jz4 h LEU 422 Cb 1.16 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 3jz4 h LEU 422 CO 0.93 -0.31 0.36 0.28 -0.34 0.00 0.00 178.44 179.36 3jz4 h SER 423 N -0.32 0.58 -0.63 1.25 0.02 -2.00 -1.83 113.55 110.63 3jz4 h SER 423 Ca 0.11 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3jz4 h SER 423 Cb 0.49 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3jz4 h SER 423 CO -0.36 0.40 0.37 -0.09 -1.14 0.00 0.00 176.83 176.02 3jz4 h ARG 424 N 0.71 0.70 -0.40 3.45 2.43 -1.86 -1.07 114.38 118.35 3jz4 h ARG 424 Ca 0.25 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3jz4 h ARG 424 Cb 0.06 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3jz4 h ARG 424 CO -0.12 0.47 0.24 0.28 -1.51 0.00 0.00 179.97 179.32 3jz4 h VAL 425 N 0.73 1.05 -0.03 0.20 2.07 -0.37 0.22 116.25 120.12 3jz4 h VAL 425 Ca 0.26 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3jz4 h VAL 425 Cb 0.07 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3jz4 h VAL 425 CO -0.13 0.09 0.01 -0.26 0.02 0.00 0.00 177.57 177.31 3jz4 h PHE 426 N 0.48 0.04 0.07 1.57 0.04 -1.19 0.26 116.94 118.21 3jz4 h PHE 426 Ca 0.16 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.94 3jz4 h PHE 426 Cb -0.00 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 3jz4 h PHE 426 CO -0.07 0.12 -0.17 0.00 -0.60 0.00 0.00 178.31 177.59 3jz4 h ARG 427 N -0.06 -0.31 -0.15 1.51 3.08 -0.83 -0.66 114.38 116.97 3jz4 h ARG 427 Ca 0.01 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3jz4 h ARG 427 Cb 0.10 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3jz4 h ARG 427 CO -0.00 -0.21 -0.10 0.28 -1.07 0.00 0.00 179.97 178.87 3jz4 h VAL 428 N -0.32 1.33 -0.73 2.04 2.07 -1.01 -1.80 116.25 117.83 3jz4 h VAL 428 Ca 0.03 -1.19 0.10 0.00 0.82 0.00 0.00 66.70 66.46 3jz4 h VAL 428 Cb 0.35 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 3jz4 h VAL 428 CO -0.11 0.35 0.37 1.23 0.02 0.00 0.00 177.57 179.42 3jz4 h GLY 429 N -0.03 1.11 1.36 2.17 0.00 -0.87 -1.78 103.07 105.03 3jz4 h GLY 429 Ca 0.03 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 3jz4 h GLY 429 CO 0.03 0.05 -0.57 0.83 0.00 0.00 0.00 176.54 176.88 3jz4 h GLU 430 N 0.61 0.67 0.00 4.80 5.08 -1.09 -3.32 114.58 121.33 3jz4 h GLU 430 Ca 0.36 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3jz4 h GLU 430 Cb 0.40 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3jz4 h GLU 430 CO -0.28 1.06 -0.37 0.00 -1.00 0.00 0.00 179.01 178.42 3jz4 h ALA 431 N 0.85 0.81 -2.48 3.43 0.00 -0.80 -3.45 119.26 117.61 3jz4 h ALA 431 Ca 0.00 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 3jz4 h ALA 431 Cb 1.15 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.95 3jz4 h ALA 431 CO 0.11 0.27 0.90 -0.51 0.00 0.00 0.00 179.25 180.03 3jz4 s LEU 432 N -6.18 4.36 -1.30 0.00 1.43 -0.72 -4.91 118.68 111.37 3jz4 s LEU 432 Ca 0.05 2.42 -0.09 0.00 -1.03 0.00 0.00 54.13 55.47 3jz4 s LEU 432 Cb 0.07 -3.57 0.15 0.00 0.03 0.00 0.00 46.19 42.86 3jz4 s LEU 432 CO 0.72 -0.80 2.00 -0.62 0.23 0.00 0.00 176.35 177.87 3jz4 n GLU 433 N 4.95 3.78 -4.01 1.70 1.02 -1.26 -4.90 120.64 121.92 3jz4 n GLU 433 Ca 0.14 -3.46 -0.11 0.00 -0.02 0.00 0.00 57.16 53.71 3jz4 n GLU 433 Cb 0.41 -2.88 -0.11 0.00 -0.02 0.00 0.00 31.44 28.84 3jz4 n GLU 433 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3jz4 s TYR 434 N 0.21 0.41 0.27 -0.32 2.02 -1.26 -4.43 117.35 114.24 3jz4 s TYR 434 Ca 0.43 -0.50 0.10 0.00 -0.37 0.00 0.00 57.07 56.73 3jz4 s TYR 434 Cb 0.12 -0.27 0.33 0.00 -0.40 0.00 0.00 41.96 41.74 3jz4 s TYR 434 CO -0.02 -0.14 1.60 0.78 -1.57 0.00 0.00 175.55 176.20 3jz4 h GLY 435 N 4.64 0.00 -5.91 0.71 0.00 -0.49 -3.45 103.07 98.57 3jz4 h GLY 435 Ca -0.33 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.47 3jz4 h GLY 435 CO 0.41 0.00 -0.82 -0.42 0.00 0.00 0.00 176.54 175.71 3jz4 s ILE 436 N -3.57 1.22 -0.19 2.60 1.01 -0.14 -4.76 121.20 117.36 3jz4 s ILE 436 Ca -0.01 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 3jz4 s ILE 436 Cb 0.13 -1.12 0.05 0.00 0.01 0.00 0.00 42.46 41.53 3jz4 s ILE 436 CO 0.77 0.38 -0.04 -0.69 0.00 0.00 0.00 174.94 175.35 3jz4 s VAL 437 N 0.77 1.16 -0.11 2.92 1.01 -1.26 -0.76 120.40 124.13 3jz4 s VAL 437 Ca -0.12 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 3jz4 s VAL 437 Cb -0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3jz4 s VAL 437 CO 0.02 -0.00 0.74 -0.83 0.00 0.00 0.00 175.10 175.04 3jz4 s GLY 438 N 1.59 2.42 -0.24 4.51 0.00 0.11 -4.98 107.32 110.73 3jz4 s GLY 438 Ca -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 44.72 44.78 3jz4 s GLY 438 CO -0.07 1.36 -0.09 -0.42 0.00 0.00 0.00 173.10 173.87 3jz4 s ILE 439 N 1.32 2.57 -1.75 0.90 1.01 -1.26 -1.04 121.20 122.94 3jz4 s ILE 439 Ca 0.37 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3jz4 s ILE 439 Cb -0.17 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.96 3jz4 s ILE 439 CO 0.16 0.17 0.00 0.59 0.00 0.00 0.00 174.94 175.86 3jz4 n ASN 440 N 4.60 -5.31 -3.69 3.58 3.02 0.24 -4.97 115.26 112.71 3jz4 n ASN 440 Ca -0.16 0.18 -0.14 0.00 -0.03 0.00 0.00 54.58 54.42 3jz4 n ASN 440 Cb 0.46 -4.53 -0.09 0.00 -0.61 0.00 0.00 39.78 35.01 3jz4 n ASN 440 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3jz4 s THR 441 N -2.83 0.01 -1.86 3.41 -1.32 -1.26 -5.00 115.64 106.79 3jz4 s THR 441 Ca 0.00 -0.11 0.23 0.00 -1.21 0.00 0.00 61.69 60.59 3jz4 s THR 441 Cb 0.00 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.25 3jz4 s THR 441 CO 0.00 -0.06 1.08 0.61 -2.21 0.00 0.00 174.62 174.04 3jz4 n GLY 442 N 2.18 -0.16 3.01 6.08 0.00 -1.26 -4.69 105.19 110.35 3jz4 n GLY 442 Ca -0.16 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 3jz4 n GLY 442 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jz4 s ILE 443 N -2.56 1.95 -0.55 -0.61 -4.36 -1.26 -4.38 121.20 109.43 3jz4 s ILE 443 Ca 0.17 -1.65 0.09 0.00 -0.26 0.00 0.00 60.65 59.00 3jz4 s ILE 443 Cb 0.18 -2.20 -0.07 0.00 1.25 0.00 0.00 42.46 41.62 3jz4 s ILE 443 CO 0.62 -0.19 0.44 2.30 0.24 0.00 0.00 174.94 178.35 3jz4 n ILE 444 N 4.48 0.00 -1.89 8.37 -5.35 -1.26 -5.04 119.36 118.67 3jz4 n ILE 444 Ca -0.09 -0.32 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 3jz4 n ILE 444 Cb 0.43 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.33 3jz4 n ILE 444 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3jz4 s SER 445 N -1.69 6.55 0.13 7.28 0.01 -1.26 -5.02 113.70 119.69 3jz4 s SER 445 Ca 0.05 2.65 -0.26 0.00 1.31 0.00 0.00 55.95 59.70 3jz4 s SER 445 Cb 0.07 -2.59 0.08 0.00 0.21 0.00 0.00 66.02 63.78 3jz4 s SER 445 CO 0.33 -0.86 1.03 0.54 0.41 0.00 0.00 173.24 174.69 3jz4 s ASN 446 N 1.32 -0.13 0.01 2.44 2.20 -1.26 -5.06 114.94 114.47 3jz4 s ASN 446 Ca 0.72 -0.38 0.25 0.00 -0.94 0.00 0.00 52.86 52.50 3jz4 s ASN 446 Cb -0.44 0.43 0.46 0.00 -2.00 0.00 0.00 41.25 39.69 3jz4 s ASN 446 CO 0.32 -0.80 1.38 -1.84 -2.94 0.00 0.00 177.10 173.22 3jz4 n GLU 447 N -0.50 0.04 0.04 3.55 0.00 -1.26 -4.35 120.64 118.15 3jz4 n GLU 447 Ca -0.06 0.01 0.11 0.00 0.00 0.00 0.00 57.16 57.22 3jz4 n GLU 447 Cb 0.61 -1.52 -0.04 0.00 0.00 0.00 0.00 31.44 30.49 3jz4 n GLU 447 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3jz4 n VAL 448 N -1.58 0.24 -4.19 3.84 0.24 -1.26 -0.28 118.33 115.34 3jz4 n VAL 448 Ca 0.05 -0.38 -0.31 0.00 -2.04 0.00 0.00 64.34 61.66 3jz4 n VAL 448 Cb 0.35 0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.67 3jz4 n VAL 448 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3jz4 s ALA 449 N -3.32 3.24 -0.09 2.33 0.00 -1.26 -3.80 121.76 118.86 3jz4 s ALA 449 Ca -0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 3jz4 s ALA 449 Cb 0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 3jz4 s ALA 449 CO 0.83 0.68 1.48 -1.25 0.00 0.00 0.00 175.76 177.50 3jz4 s PRO 450 N -2.09 4.21 -0.20 0.00 0.04 -1.26 -3.98 135.00 131.72 3jz4 s PRO 450 Ca 0.24 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 3jz4 s PRO 450 Cb -0.12 -3.85 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 3jz4 s PRO 450 CO 0.16 -0.76 -0.07 -0.06 0.04 0.00 0.00 177.00 176.31 3jz4 s PHE 451 N 3.64 2.93 0.00 0.56 0.08 0.24 -4.89 117.98 120.54 3jz4 s PHE 451 Ca 0.65 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.83 3jz4 s PHE 451 Cb -0.29 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 3jz4 s PHE 451 CO 0.23 -0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.31 3jz4 n GLY 452 N 4.45 0.08 3.73 4.36 0.00 -1.26 -0.42 105.19 116.12 3jz4 n GLY 452 Ca -0.18 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 3jz4 n GLY 452 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jz4 s GLY 453 N 0.00 1.57 0.49 -0.02 0.00 -1.26 -4.05 107.32 104.04 3jz4 s GLY 453 Ca 0.00 -1.57 0.07 0.00 0.00 0.00 0.00 44.72 43.22 3jz4 s GLY 453 CO 0.00 -1.61 0.39 -0.26 0.00 0.00 0.00 173.10 171.62 3jz4 s ILE 454 N -2.25 2.12 0.00 0.90 -4.36 -0.71 -4.19 121.20 112.71 3jz4 s ILE 454 Ca 0.33 -1.43 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 3jz4 s ILE 454 Cb -0.07 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.09 3jz4 s ILE 454 CO 0.22 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.69 3jz4 n LYS 455 N -1.66 0.00 0.00 0.37 5.02 -1.26 -2.01 118.16 118.62 3jz4 n LYS 455 Ca 0.01 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.41 3jz4 n LYS 455 Cb 0.63 0.00 0.49 0.00 -0.02 0.00 0.00 35.03 36.13 3jz4 n LYS 455 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jz4 n ALA 456 N 9.83 2.04 0.36 7.82 0.00 -0.78 -3.54 120.51 136.24 3jz4 n ALA 456 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3jz4 n ALA 456 Cb 0.00 -1.35 0.54 0.00 0.00 0.00 0.00 19.45 18.64 3jz4 n ALA 456 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3jz4 h SER 457 N 0.00 0.00 -1.54 0.00 0.02 -1.60 -3.43 113.55 107.00 3jz4 h SER 457 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3jz4 h SER 457 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3jz4 h SER 457 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3jz4 n GLY 458 N -0.06 -0.61 3.01 -3.77 0.00 -1.23 -0.88 105.19 101.64 3jz4 n GLY 458 Ca 0.02 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 3jz4 n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jz4 s LEU 459 N 0.00 1.28 0.00 0.99 1.43 0.47 -4.63 118.68 118.21 3jz4 s LEU 459 Ca 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3jz4 s LEU 459 Cb 0.00 0.49 0.00 0.00 0.03 0.00 0.00 46.19 46.71 3jz4 s LEU 459 CO 0.00 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3jz4 n GLY 460 N 3.25 -1.06 3.18 -3.19 0.00 -1.26 -0.95 105.19 105.15 3jz4 n GLY 460 Ca -0.15 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 3jz4 n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jz4 s ARG 461 N -1.54 0.83 0.07 1.61 1.81 -1.26 -4.42 118.95 116.05 3jz4 s ARG 461 Ca 0.00 -0.99 0.08 0.00 -1.72 0.00 0.00 55.73 53.10 3jz4 s ARG 461 Cb 0.00 -0.81 -0.03 0.00 -0.45 0.00 0.00 34.95 33.65 3jz4 s ARG 461 CO 0.00 0.17 -0.18 -1.21 -0.68 0.00 0.00 175.30 173.41 3jz4 s GLU 462 N -1.87 1.97 0.06 3.54 2.02 0.44 -4.26 118.70 120.60 3jz4 s GLU 462 Ca -0.01 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.93 3jz4 s GLU 462 Cb -0.09 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3jz4 s GLU 462 CO 0.02 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.23 3jz4 n GLY 463 N 1.27 -1.77 0.90 -1.39 0.00 -1.26 -0.60 105.19 102.35 3jz4 n GLY 463 Ca -0.16 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.52 3jz4 n GLY 463 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jz4 n SER 464 N -2.24 -5.36 0.24 1.61 3.41 0.62 -1.58 113.62 110.32 3jz4 n SER 464 Ca -0.00 0.38 0.08 0.00 -0.26 0.00 0.00 58.87 59.07 3jz4 n SER 464 Cb 0.10 -2.74 0.58 0.00 -0.26 0.00 0.00 64.21 61.89 3jz4 n SER 464 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3jz4 h LYS 465 N -0.84 0.00 0.00 4.33 2.10 -1.90 -2.75 116.57 117.51 3jz4 h LYS 465 Ca 0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 3jz4 h LYS 465 Cb 0.82 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.15 3jz4 h LYS 465 CO 0.01 0.17 -0.10 1.88 -2.00 0.00 0.00 179.45 179.41 3jz4 h TYR 466 N 0.00 0.00 -0.30 0.07 0.05 -1.95 -3.29 116.97 111.55 3jz4 h TYR 466 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3jz4 h TYR 466 Cb 0.34 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 3jz4 h TYR 466 CO 0.00 0.10 -0.20 0.78 -1.05 0.00 0.00 178.16 177.79 3jz4 h GLY 467 N 2.33 0.59 2.00 3.88 0.00 -0.97 -2.99 103.07 107.91 3jz4 h GLY 467 Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3jz4 h GLY 467 CO 0.01 0.42 -0.55 1.19 0.00 0.00 0.00 176.54 177.61 3jz4 h ILE 468 N 0.49 1.02 -0.93 2.60 2.10 -1.73 -3.29 117.51 117.77 3jz4 h ILE 468 Ca 0.08 -2.25 0.24 0.00 1.08 0.00 0.00 64.86 64.01 3jz4 h ILE 468 Cb 0.62 2.37 -0.13 0.00 -1.09 0.00 0.00 36.82 38.59 3jz4 h ILE 468 CO 0.04 0.54 0.44 -0.33 -1.08 0.00 0.00 178.15 177.77 3jz4 h GLU 469 N 0.00 0.40 0.00 2.19 5.08 -1.68 -0.85 114.58 119.73 3jz4 h GLU 469 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3jz4 h GLU 469 Cb 1.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3jz4 h GLU 469 CO 0.07 0.26 0.00 -0.44 -1.00 0.00 0.00 179.01 177.91 3jz4 h ASP 470 N 0.41 0.00 -0.36 1.42 3.32 -1.71 -2.24 116.42 117.27 3jz4 h ASP 470 Ca 0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.65 3jz4 h ASP 470 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3jz4 h ASP 470 CO -0.54 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.76 3jz4 n TYR 471 N -2.36 0.47 -4.37 4.55 4.02 -0.33 -4.98 117.16 114.16 3jz4 n TYR 471 Ca 0.01 -0.38 -0.28 0.00 -0.01 0.00 0.00 57.90 57.25 3jz4 n TYR 471 Cb 0.19 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.38 3jz4 n TYR 471 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3jz4 s LEU 472 N -1.06 2.55 -0.09 7.72 1.43 -0.84 -1.54 118.68 126.84 3jz4 s LEU 472 Ca 0.28 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3jz4 s LEU 472 Cb 0.15 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 3jz4 s LEU 472 CO 0.21 0.14 -0.09 -1.61 0.23 0.00 0.00 176.35 175.23 3jz4 s GLU 473 N -2.47 3.00 0.04 1.70 0.41 0.77 -4.76 118.70 117.39 3jz4 s GLU 473 Ca 0.19 -0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 53.87 3jz4 s GLU 473 Cb -0.09 -2.62 -0.04 0.00 -1.78 0.00 0.00 34.13 29.59 3jz4 s GLU 473 CO 0.10 0.50 0.92 0.42 -0.49 0.00 0.00 175.26 176.70 3jz4 s ILE 474 N -0.36 4.73 -0.18 -1.63 1.01 -1.26 -1.50 121.20 122.01 3jz4 s ILE 474 Ca 0.05 1.95 0.01 0.00 0.00 0.00 0.00 60.65 62.66 3jz4 s ILE 474 Cb -0.12 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.10 3jz4 s ILE 474 CO 0.02 0.25 -0.19 -0.75 0.00 0.00 0.00 174.94 174.28 3jz4 s LYS 475 N 0.48 2.84 -0.24 2.79 2.20 0.83 -5.00 119.74 123.64 3jz4 s LYS 475 Ca 0.47 -0.82 -0.16 0.00 -0.36 0.00 0.00 55.97 55.11 3jz4 s LYS 475 Cb -0.21 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 3jz4 s LYS 475 CO 0.27 -0.23 0.40 -0.47 -0.36 0.00 0.00 175.35 174.95 3jz4 s TYR 476 N 1.31 3.30 -0.12 4.03 5.04 -1.26 -1.46 117.35 128.18 3jz4 s TYR 476 Ca 0.04 0.52 0.01 0.00 -2.44 0.00 0.00 57.07 55.20 3jz4 s TYR 476 Cb -0.13 -2.56 -0.01 0.00 0.35 0.00 0.00 41.96 39.60 3jz4 s TYR 476 CO -0.12 -0.14 -0.15 -1.64 -1.34 0.00 0.00 175.55 172.16 3jz4 s MET 477 N 1.76 3.31 -0.25 4.97 -1.94 0.12 -5.01 119.30 122.26 3jz4 s MET 477 Ca 0.17 -0.72 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 3jz4 s MET 477 Cb -0.15 -2.56 0.05 0.00 2.01 0.00 0.00 34.83 34.17 3jz4 s MET 477 CO 0.09 0.22 -0.11 0.00 -0.01 0.00 0.00 175.02 175.20 3jz4 s ILE 479 N 1.17 4.93 -0.22 0.00 1.09 0.31 -4.95 121.20 123.53 3jz4 s ILE 479 Ca -0.05 0.02 -0.17 0.00 -1.10 0.00 0.00 60.65 59.35 3jz4 s ILE 479 Cb -0.18 -3.24 -0.03 0.00 -1.06 0.00 0.00 42.46 37.94 3jz4 s ILE 479 CO -0.06 0.43 0.47 -0.83 -0.10 0.00 0.00 174.94 174.85 3jz4 s GLY 480 N 0.55 2.01 0.00 6.18 0.00 -1.26 -1.18 107.32 113.61 3jz4 s GLY 480 Ca 0.05 -0.53 0.25 0.00 0.00 0.00 0.00 44.72 44.49 3jz4 s GLY 480 CO 0.01 1.02 1.35 1.04 0.00 0.00 0.00 173.10 176.52