#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 4.27 0.21 -5.58 1.43 -1.26 -5.00 118.68 112.74 3jz4 s LEU 2 Ca 0.00 0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3jz4 s LEU 2 Cb 0.00 -3.24 0.14 0.00 0.03 0.00 0.00 46.19 43.13 3jz4 s LEU 2 CO 0.00 0.05 1.77 0.78 0.23 0.00 0.00 176.35 179.18 3jz4 h ASN 3 N 2.70 1.05 -3.67 2.29 -0.26 -1.98 -3.37 115.58 112.35 3jz4 h ASN 3 Ca -0.46 -0.17 -0.68 0.00 -0.56 0.00 0.00 56.30 54.43 3jz4 h ASN 3 Cb 1.17 -0.27 -0.36 0.00 -1.06 0.00 0.00 38.32 37.80 3jz4 h ASN 3 CO 0.72 0.93 -0.67 -0.62 -1.06 0.00 0.00 177.43 176.74 3jz4 s ASP 4 N -6.30 4.92 0.47 5.81 -1.08 -1.26 -4.99 116.67 114.23 3jz4 s ASP 4 Ca -0.12 -1.79 0.21 0.00 -0.52 0.00 0.00 52.55 50.33 3jz4 s ASP 4 Cb 0.15 -1.70 1.16 0.00 -1.46 0.00 0.00 42.92 41.07 3jz4 s ASP 4 CO 0.83 -0.38 1.99 0.77 0.52 0.00 0.00 175.17 178.90 3jz4 h SER 5 N 7.87 0.00 0.26 -0.34 4.64 -1.99 -2.90 113.55 121.09 3jz4 h SER 5 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3jz4 h SER 5 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3jz4 h SER 5 CO 0.57 0.19 0.00 0.59 -0.87 0.00 0.00 176.83 177.31 3jz4 n ASN 6 N -3.88 0.00 0.15 4.97 3.02 -1.26 -2.20 115.26 116.06 3jz4 n ASN 6 Ca -0.02 0.13 0.02 0.00 -0.03 0.00 0.00 54.58 54.69 3jz4 n ASN 6 Cb 0.29 -0.30 0.10 0.00 -0.61 0.00 0.00 39.78 39.25 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 -8.68 3.41 3.38 -1.90 -3.42 115.31 108.09 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 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 3jz4 h LEU 7 CO 0.00 0.52 0.77 0.12 0.09 0.00 0.00 178.44 179.94 3jz4 s PHE 8 N -3.11 2.85 -0.05 1.13 5.36 -0.93 -4.04 117.98 119.18 3jz4 s PHE 8 Ca 0.03 0.53 0.05 0.00 -0.96 0.00 0.00 56.93 56.58 3jz4 s PHE 8 Cb 0.09 -4.23 -0.02 0.00 -0.34 0.00 0.00 43.02 38.52 3jz4 s PHE 8 CO 0.74 -1.22 -0.21 1.03 -1.46 0.00 0.00 175.22 174.09 3jz4 s ARG 9 N 4.16 2.50 -0.15 10.12 1.81 -1.26 -5.01 118.95 131.12 3jz4 s ARG 9 Ca 0.42 -0.83 0.15 0.00 -1.72 0.00 0.00 55.73 53.75 3jz4 s ARG 9 Cb -0.09 -2.23 0.33 0.00 -0.45 0.00 0.00 34.95 32.51 3jz4 s ARG 9 CO 0.29 0.48 1.17 1.04 -0.68 0.00 0.00 175.30 177.60 3jz4 n GLN 10 N 2.69 1.25 -4.09 3.54 6.02 -1.26 -4.84 117.38 120.68 3jz4 n GLN 10 Ca -0.17 -2.73 -0.10 0.00 -0.01 0.00 0.00 57.00 53.98 3jz4 n GLN 10 Cb 0.52 -1.40 -0.11 0.00 1.02 0.00 0.00 30.24 30.27 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 -2.67 0.61 0.61 -1.09 -0.21 -1.26 -4.11 119.66 111.54 3jz4 s GLN 11 Ca 0.32 -1.01 -0.09 0.00 0.02 0.00 0.00 55.36 54.60 3jz4 s GLN 11 Cb 0.30 -0.11 -0.01 0.00 1.00 0.00 0.00 33.01 34.19 3jz4 s GLN 11 CO -0.02 -0.02 0.97 0.00 -2.12 0.00 0.00 175.29 174.10 3jz4 s ALA 12 N -2.61 3.15 -0.30 6.09 0.00 -0.40 -4.78 121.76 122.90 3jz4 s ALA 12 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 3jz4 s ALA 12 Cb -0.02 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.30 3jz4 s ALA 12 CO -0.03 -0.77 0.01 -1.17 0.00 0.00 0.00 175.76 173.79 3jz4 s LEU 13 N -5.10 3.94 -0.13 0.00 2.96 -0.66 -1.17 118.68 118.53 3jz4 s LEU 13 Ca 0.54 -1.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.17 3jz4 s LEU 13 Cb -0.11 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.88 3jz4 s LEU 13 CO 0.49 -0.27 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.53 3jz4 s ILE 14 N 1.26 1.20 -1.37 6.68 1.01 -0.34 -1.22 121.20 128.43 3jz4 s ILE 14 Ca -0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 3jz4 s ILE 14 Cb -0.20 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.11 3jz4 s ILE 14 CO -0.01 0.40 1.03 -3.20 0.00 0.00 0.00 174.94 173.16 3jz4 n ASN 15 N 4.89 -4.47 0.00 3.58 5.15 -1.26 -1.34 115.26 121.81 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 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 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 -1.71 0.78 3.60 8.20 0.00 -1.26 -4.49 105.19 110.30 3jz4 n GLY 16 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.22 2.73 -0.19 1.61 0.41 -0.45 -5.04 118.70 117.56 3jz4 s GLU 17 Ca 0.00 -0.57 -0.25 0.00 -0.41 0.00 0.00 54.97 53.74 3jz4 s GLU 17 Cb 0.00 -2.59 -0.01 0.00 -1.78 0.00 0.00 34.13 29.75 3jz4 s GLU 17 CO 0.00 0.66 0.84 -1.58 -0.49 0.00 0.00 175.26 174.69 3jz4 s TRP 18 N -0.86 3.40 0.07 1.61 0.52 -1.26 -1.20 118.94 121.22 3jz4 s TRP 18 Ca 0.14 1.25 0.04 0.00 0.02 0.00 0.00 56.10 57.54 3jz4 s TRP 18 Cb -0.11 -3.04 -0.03 0.00 -1.15 0.00 0.00 33.47 29.14 3jz4 s TRP 18 CO 0.03 -0.28 -0.11 -0.51 0.02 0.00 0.00 176.95 176.10 3jz4 s LEU 19 N 2.34 2.33 0.68 2.99 1.43 -0.31 -4.93 118.68 123.19 3jz4 s LEU 19 Ca 0.38 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3jz4 s LEU 19 Cb -0.16 -0.32 0.05 0.00 0.03 0.00 0.00 46.19 45.79 3jz4 s LEU 19 CO 0.11 -0.19 0.98 -1.81 0.23 0.00 0.00 176.35 175.66 3jz4 s ASP 20 N -1.99 4.93 0.63 2.29 1.01 -1.26 -1.27 116.67 121.00 3jz4 s ASP 20 Ca -0.01 0.42 -0.18 0.00 0.71 0.00 0.00 52.55 53.49 3jz4 s ASP 20 Cb -0.07 -1.12 -0.02 0.00 1.01 0.00 0.00 42.92 42.72 3jz4 s ASP 20 CO 0.01 -1.51 1.23 0.00 0.21 0.00 0.00 175.17 175.11 3jz4 n ALA 21 N -2.83 0.98 -0.28 5.23 0.00 -1.26 -4.92 120.51 117.44 3jz4 n ALA 21 Ca 0.08 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.61 3jz4 n ALA 21 Cb 0.60 -2.28 0.23 0.00 0.00 0.00 0.00 19.45 18.00 3jz4 n ALA 21 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3jz4 h ASN 22 N 0.58 0.22 -0.08 0.00 2.35 -1.95 -2.04 115.58 114.66 3jz4 h ASN 22 Ca -0.50 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3jz4 h ASN 22 Cb 1.34 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.85 3jz4 h ASN 22 CO 0.53 0.02 0.00 -0.46 -1.65 0.00 0.00 177.43 175.87 3jz4 n ASN 23 N -5.07 1.11 -0.29 5.81 0.23 -1.26 -4.93 115.26 110.86 3jz4 n ASN 23 Ca 0.17 -1.52 -0.04 0.00 -0.53 0.00 0.00 54.58 52.67 3jz4 n ASN 23 Cb 0.53 -0.05 -0.02 0.00 -2.08 0.00 0.00 39.78 38.16 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 1.06 0.40 3.78 4.83 0.00 -0.77 -5.01 105.19 109.48 3jz4 n GLY 24 Ca 0.17 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.20 4.03 0.17 1.61 0.41 -1.26 -4.85 118.70 116.61 3jz4 s GLU 25 Ca 0.00 1.57 0.07 0.00 -0.41 0.00 0.00 54.97 56.20 3jz4 s GLU 25 Cb 0.00 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.83 3jz4 s GLU 25 CO 0.00 -0.27 -0.15 0.00 -0.49 0.00 0.00 175.26 174.35 3jz4 s ALA 26 N -1.65 1.85 -0.26 5.21 0.00 -1.26 -0.16 121.76 125.48 3jz4 s ALA 26 Ca 0.60 -1.53 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 3jz4 s ALA 26 Cb -0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3jz4 s ALA 26 CO 0.29 0.09 0.15 0.42 0.00 0.00 0.00 175.76 176.71 3jz4 s ILE 27 N -2.64 5.02 0.36 0.00 1.01 0.45 -4.75 121.20 120.65 3jz4 s ILE 27 Ca 0.18 0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.63 3jz4 s ILE 27 Cb -0.02 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 3jz4 s ILE 27 CO 0.05 0.29 1.21 -1.81 0.00 0.00 0.00 174.94 174.68 3jz4 s ASP 28 N 1.59 6.67 -0.14 3.58 1.01 -1.26 -1.54 116.67 126.59 3jz4 s ASP 28 Ca 0.07 2.46 0.02 0.00 0.71 0.00 0.00 52.55 55.80 3jz4 s ASP 28 Cb -0.15 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.15 3jz4 s ASP 28 CO 0.08 -0.58 -0.21 -0.69 0.21 0.00 0.00 175.17 173.98 3jz4 s VAL 29 N -1.29 2.21 0.27 -1.27 1.01 0.11 -4.95 120.40 116.50 3jz4 s VAL 29 Ca 0.53 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.67 3jz4 s VAL 29 Cb -0.34 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3jz4 s VAL 29 CO 0.44 0.54 -0.00 0.42 0.00 0.00 0.00 175.10 176.50 3jz4 s THR 30 N 0.75 3.36 -0.32 3.92 -4.23 -1.26 -0.65 115.64 117.21 3jz4 s THR 30 Ca -0.08 -1.92 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 3jz4 s THR 30 Cb -0.16 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 70.86 3jz4 s THR 30 CO -0.00 -0.36 0.89 0.21 -0.54 0.00 0.00 174.62 174.82 3jz4 s ASN 31 N -3.68 6.74 0.43 3.99 3.84 0.72 -4.76 114.94 122.22 3jz4 s ASN 31 Ca 0.32 0.76 0.30 0.00 0.21 0.00 0.00 52.86 54.45 3jz4 s ASN 31 Cb -0.06 -2.45 1.49 0.00 -0.55 0.00 0.00 41.25 39.68 3jz4 s ASN 31 CO 0.20 -0.73 1.91 1.55 -2.79 0.00 0.00 177.10 177.24 3jz4 h PRO 32 N 8.16 0.00 0.00 0.43 0.13 -1.79 0.60 132.00 139.53 3jz4 h PRO 32 Ca -0.23 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.94 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 178.28 3jz4 h ALA 33 N 2.06 0.89 0.00 -0.56 0.00 -1.90 -3.40 119.26 116.35 3jz4 h ALA 33 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3jz4 h ALA 33 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3jz4 h ALA 33 CO 0.00 0.53 0.00 0.27 0.00 0.00 0.00 179.25 180.05 3jz4 n ASN 34 N -3.44 0.00 0.00 0.00 0.23 -0.96 -4.93 115.26 106.15 3jz4 n ASN 34 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3jz4 n ASN 34 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.83 3.78 4.83 0.00 0.20 -5.01 105.19 109.81 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 -2.99 6.44 0.00 1.61 1.01 -1.25 -4.59 116.67 116.89 3jz4 s ASP 36 Ca 0.00 2.93 -0.30 0.00 0.71 0.00 0.00 52.55 55.89 3jz4 s ASP 36 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 3jz4 s ASP 36 CO 0.00 -0.80 1.36 -0.75 0.21 0.00 0.00 175.17 175.20 3jz4 s LYS 37 N -2.04 4.30 -0.07 8.23 2.20 -1.26 -0.20 119.74 130.91 3jz4 s LYS 37 Ca 0.52 1.92 0.03 0.00 -0.36 0.00 0.00 55.97 58.08 3jz4 s LYS 37 Cb -0.44 -3.54 -0.25 0.00 -1.51 0.00 0.00 37.83 32.09 3jz4 s LYS 37 CO 0.60 -0.54 0.57 -0.07 -0.36 0.00 0.00 175.35 175.55 3jz4 h LEU 38 N 8.18 0.21 0.00 5.43 3.38 -1.21 -3.47 115.31 127.82 3jz4 h LEU 38 Ca -0.38 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3jz4 h LEU 38 Cb 1.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3jz4 h LEU 38 CO 0.89 1.39 0.00 0.61 0.09 0.00 0.00 178.44 181.42 3jz4 n GLY 39 N 1.74 -0.51 3.70 0.83 0.00 -1.18 -5.03 105.19 104.73 3jz4 n GLY 39 Ca -0.23 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.16 0.07 1.61 1.04 -1.26 -0.71 113.70 110.29 3jz4 s SER 40 Ca 0.00 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.65 3jz4 s SER 40 Cb 0.00 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 3jz4 s SER 40 CO 0.00 -1.22 -0.06 0.68 0.98 0.00 0.00 173.24 173.62 3jz4 s VAL 41 N -3.98 0.52 0.43 5.02 -7.23 -0.59 -4.50 120.40 110.08 3jz4 s VAL 41 Ca 0.18 -1.72 -0.24 0.00 -1.81 0.00 0.00 61.98 58.38 3jz4 s VAL 41 Cb -0.03 -1.40 -0.10 0.00 0.56 0.00 0.00 36.38 35.41 3jz4 s VAL 41 CO 0.08 -0.81 1.09 -2.65 -0.31 0.00 0.00 175.10 172.50 3jz4 n PRO 42 N 0.31 1.50 -3.18 4.82 -0.02 -1.26 -0.41 135.00 136.77 3jz4 n PRO 42 Ca -0.15 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 3jz4 n PRO 42 Cb 0.60 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 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 0.04 3.91 -1.70 -0.52 4.81 0.78 -3.93 118.16 121.54 3jz4 n LYS 43 Ca 0.09 -4.55 -0.31 0.00 -0.87 0.00 0.00 58.31 52.67 3jz4 n LYS 43 Cb 0.40 -2.48 0.04 0.00 0.02 0.00 0.00 35.03 33.01 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 -2.36 3.06 0.00 1.64 -1.94 -0.03 -4.79 119.30 114.89 3jz4 s MET 44 Ca 0.32 0.80 0.00 0.00 -1.71 0.00 0.00 55.69 55.10 3jz4 s MET 44 Cb 0.02 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 34.85 3jz4 s MET 44 CO 0.04 -0.97 0.00 0.41 -0.01 0.00 0.00 175.02 174.49 3jz4 n GLY 45 N -2.36 6.31 0.24 -0.03 0.00 -1.26 -3.61 105.19 104.48 3jz4 n GLY 45 Ca 0.07 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.84 0.03 4.61 0.00 -1.91 -2.47 119.26 121.35 3jz4 h ALA 46 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3jz4 h ALA 46 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3jz4 h ALA 46 CO 0.00 -0.16 -0.25 -0.44 0.00 0.00 0.00 179.25 178.40 3jz4 h ASP 47 N 0.45 -0.72 -0.54 0.00 3.32 -1.96 0.34 116.42 117.30 3jz4 h ASP 47 Ca 0.32 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.36 3jz4 h ASP 47 Cb 0.38 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3jz4 h ASP 47 CO -0.30 -0.32 -0.06 -0.33 -1.72 0.00 0.00 179.24 176.51 3jz4 h GLU 48 N -0.40 1.02 -0.57 3.56 3.07 -1.94 -1.72 114.58 117.60 3jz4 h GLU 48 Ca 0.05 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 3jz4 h GLU 48 Cb 0.47 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 3jz4 h GLU 48 CO -0.20 1.04 0.32 1.15 -1.40 0.00 0.00 179.01 179.92 3jz4 h THR 49 N 0.92 1.18 -0.24 1.13 2.02 -1.03 0.63 112.91 117.52 3jz4 h THR 49 Ca 0.15 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.90 3jz4 h THR 49 Cb 0.62 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3jz4 h THR 49 CO 0.04 0.20 0.10 -0.09 0.37 0.00 0.00 175.52 176.14 3jz4 h ARG 50 N 0.77 0.21 -0.51 6.66 2.43 -0.17 0.15 114.38 123.92 3jz4 h ARG 50 Ca 0.20 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3jz4 h ARG 50 Cb 0.03 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3jz4 h ARG 50 CO -0.03 0.14 0.23 0.00 -1.51 0.00 0.00 179.97 178.79 3jz4 h ALA 51 N 1.14 1.44 -0.41 2.80 0.00 -0.88 -0.98 119.26 122.36 3jz4 h ALA 51 Ca 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3jz4 h ALA 51 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3jz4 h ALA 51 CO -0.09 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 179.56 3jz4 h ALA 52 N 1.53 0.55 -0.87 0.00 0.00 0.10 -1.33 119.26 119.24 3jz4 h ALA 52 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3jz4 h ALA 52 Cb 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3jz4 h ALA 52 CO -0.02 0.38 0.55 0.82 0.00 0.00 0.00 179.25 180.97 3jz4 h ILE 53 N 0.57 1.24 -0.33 0.00 2.04 -0.14 -0.69 117.51 120.20 3jz4 h ILE 53 Ca 0.11 -0.48 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 3jz4 h ILE 53 Cb 0.54 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3jz4 h ILE 53 CO 0.03 0.24 -0.31 -0.78 0.00 0.00 0.00 178.15 177.33 3jz4 h ASP 54 N 1.20 0.73 -0.54 1.72 3.58 -1.05 0.11 116.42 122.17 3jz4 h ASP 54 Ca 0.32 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3jz4 h ASP 54 Cb -0.08 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 3jz4 h ASP 54 CO -0.06 0.99 0.20 0.00 -2.88 0.00 0.00 179.24 177.49 3jz4 h ALA 55 N 1.06 0.70 -0.43 -0.78 0.00 -0.80 -0.43 119.26 118.57 3jz4 h ALA 55 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3jz4 h ALA 55 Cb 0.82 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3jz4 h ALA 55 CO 0.07 0.32 0.15 0.00 0.00 0.00 0.00 179.25 179.79 3jz4 h ALA 56 N 1.05 0.56 -0.94 0.00 0.00 -0.85 -1.11 119.26 117.97 3jz4 h ALA 56 Ca 0.18 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3jz4 h ALA 56 Cb 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3jz4 h ALA 56 CO -0.01 0.19 0.60 -0.97 0.00 0.00 0.00 179.25 179.05 3jz4 h ASN 57 N 0.55 0.95 -0.14 0.00 -1.24 -0.89 -2.28 115.58 112.53 3jz4 h ASN 57 Ca 0.14 0.01 -0.12 0.00 0.71 0.00 0.00 56.30 57.04 3jz4 h ASN 57 Cb 0.23 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 3jz4 h ASN 57 CO -0.01 0.61 -0.30 -0.09 -1.29 0.00 0.00 177.43 176.35 3jz4 h ARG 58 N 1.09 0.63 0.00 6.67 2.43 -0.69 -3.15 114.38 121.36 3jz4 h ARG 58 Ca 0.41 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3jz4 h ARG 58 Cb 0.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3jz4 h ARG 58 CO -0.17 0.86 -0.17 0.00 -1.51 0.00 0.00 179.97 178.97 3jz4 n ALA 59 N -2.50 2.51 -0.02 2.80 0.00 -0.45 -4.38 120.51 118.47 3jz4 n ALA 59 Ca -0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 3jz4 n ALA 59 Cb 0.46 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 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 0.13 -0.74 0.00 5.85 -1.37 -2.80 115.31 116.38 3jz4 h LEU 60 Ca 0.00 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.56 3jz4 h LEU 60 Cb 0.69 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 3jz4 h LEU 60 CO 0.00 0.36 0.37 -0.65 -0.34 0.00 0.00 178.44 178.18 3jz4 h PRO 61 N -0.10 0.60 0.00 5.25 0.11 -1.78 -0.24 132.00 135.83 3jz4 h PRO 61 Ca 0.02 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 3jz4 h PRO 61 Cb 0.29 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3jz4 h PRO 61 CO 0.00 0.39 -0.65 0.00 -0.21 0.00 0.00 178.00 177.54 3jz4 h ALA 62 N 1.45 0.90 -0.02 -0.75 0.00 -1.84 -0.85 119.26 118.15 3jz4 h ALA 62 Ca 0.37 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3jz4 h ALA 62 Cb 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3jz4 h ALA 62 CO -0.28 0.81 -0.30 2.35 0.00 0.00 0.00 179.25 181.82 3jz4 h TRP 63 N 0.00 0.34 -0.80 0.00 2.91 -1.18 -3.05 115.95 114.17 3jz4 h TRP 63 Ca -0.01 -0.17 0.09 0.00 1.13 0.00 0.00 58.89 59.93 3jz4 h TRP 63 Cb 1.17 -0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.72 3jz4 h TRP 63 CO 0.00 0.95 0.52 -0.09 -1.03 0.00 0.00 178.44 178.79 3jz4 h ARG 64 N -0.36 0.76 0.00 2.65 2.43 -1.05 -2.85 114.38 115.96 3jz4 h ARG 64 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3jz4 h ARG 64 Cb 1.02 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3jz4 h ARG 64 CO 0.06 0.50 0.00 0.00 -1.51 0.00 0.00 179.97 179.02 3jz4 n ALA 65 N -2.44 2.19 -0.97 2.80 0.00 -0.33 -4.85 120.51 116.92 3jz4 n ALA 65 Ca 0.13 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 3jz4 n ALA 65 Cb 0.29 -1.46 0.13 0.00 0.00 0.00 0.00 19.45 18.42 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 -4.33 3.00 0.68 0.00 1.43 -1.08 -5.00 118.68 113.38 3jz4 s LEU 66 Ca 0.10 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.24 3jz4 s LEU 66 Cb 0.13 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.79 3jz4 s LEU 66 CO 0.56 -2.69 1.07 0.42 0.23 0.00 0.00 176.35 175.93 3jz4 s THR 67 N -2.53 3.73 0.36 5.49 -4.23 -1.26 -4.91 115.64 112.29 3jz4 s THR 67 Ca 0.68 0.66 0.08 0.00 -1.18 0.00 0.00 61.69 61.93 3jz4 s THR 67 Cb -0.23 -3.26 0.32 0.00 1.34 0.00 0.00 72.50 70.67 3jz4 s THR 67 CO 0.54 -0.64 1.90 0.00 -0.54 0.00 0.00 174.62 175.88 3jz4 h ALA 68 N -0.41 1.82 -0.48 3.99 0.00 -1.95 -2.27 119.26 119.96 3jz4 h ALA 68 Ca -0.45 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 3jz4 h ALA 68 Cb 1.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3jz4 h ALA 68 CO 0.55 -0.02 -0.12 -0.22 0.00 0.00 0.00 179.25 179.45 3jz4 h LYS 69 N 0.70 0.90 -0.08 0.00 3.64 -1.93 0.12 116.57 119.92 3jz4 h LYS 69 Ca 0.40 -0.32 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 3jz4 h LYS 69 Cb 0.60 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3jz4 h LYS 69 CO -0.17 0.97 -0.65 1.05 -2.27 0.00 0.00 179.45 178.38 3jz4 h GLU 70 N 0.81 0.30 -0.32 1.90 4.11 -1.83 0.13 114.58 119.67 3jz4 h GLU 70 Ca 0.13 -0.22 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 3jz4 h GLU 70 Cb 0.65 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3jz4 h GLU 70 CO 0.04 0.84 0.13 0.00 0.07 0.00 0.00 179.01 180.10 3jz4 h ARG 71 N 0.22 0.48 -1.00 1.06 3.08 -1.33 -2.66 114.38 114.22 3jz4 h ARG 71 Ca -0.01 -0.09 0.13 0.00 0.07 0.00 0.00 59.98 60.08 3jz4 h ARG 71 Cb 1.18 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.06 3jz4 h ARG 71 CO 0.10 0.49 0.63 0.00 -1.07 0.00 0.00 179.97 180.12 3jz4 h ALA 72 N 0.97 1.55 -0.27 0.04 0.00 -0.53 -0.50 119.26 120.52 3jz4 h ALA 72 Ca 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3jz4 h ALA 72 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3jz4 h ALA 72 CO -0.01 0.19 0.09 1.15 0.00 0.00 0.00 179.25 180.67 3jz4 h THR 73 N 0.96 1.20 -0.31 0.00 2.02 -0.77 0.82 112.91 116.83 3jz4 h THR 73 Ca 0.51 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 3jz4 h THR 73 Cb 0.55 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3jz4 h THR 73 CO -0.28 0.21 0.04 0.40 0.37 0.00 0.00 175.52 176.26 3jz4 h ILE 74 N 0.28 1.24 -0.63 3.11 2.04 -1.19 -1.26 117.51 121.10 3jz4 h ILE 74 Ca 0.09 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 3jz4 h ILE 74 Cb 0.24 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3jz4 h ILE 74 CO -0.00 0.27 0.07 -0.07 0.00 0.00 0.00 178.15 178.42 3jz4 h LEU 75 N 0.33 1.03 -1.01 1.44 3.38 -0.95 -1.92 115.31 117.61 3jz4 h LEU 75 Ca 0.09 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3jz4 h LEU 75 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3jz4 h LEU 75 CO 0.01 1.05 -0.04 -0.09 0.09 0.00 0.00 178.44 179.45 3jz4 h ARG 76 N 0.98 0.66 -0.66 1.13 2.43 -0.77 -0.05 114.38 118.09 3jz4 h ARG 76 Ca 0.19 -0.18 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3jz4 h ARG 76 Cb 0.48 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 3jz4 h ARG 76 CO 0.02 0.71 0.35 -0.91 -1.51 0.00 0.00 179.97 178.63 3jz4 h ASN 77 N 0.62 0.49 -0.28 -3.80 2.35 -0.87 0.13 115.58 114.21 3jz4 h ASN 77 Ca 0.12 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3jz4 h ASN 77 Cb 0.45 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3jz4 h ASN 77 CO 0.02 0.31 0.12 -0.25 -1.65 0.00 0.00 177.43 175.98 3jz4 h TRP 78 N 0.63 0.43 0.12 1.19 7.01 -0.56 -0.77 115.95 123.99 3jz4 h TRP 78 Ca 0.31 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.29 3jz4 h TRP 78 Cb 0.24 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 3jz4 h TRP 78 CO -0.09 0.42 -0.30 0.35 -2.79 0.00 0.00 178.44 176.03 3jz4 h PHE 79 N 0.31 -0.80 -0.80 2.65 3.57 -0.83 -1.47 116.94 119.57 3jz4 h PHE 79 Ca 0.10 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.69 3jz4 h PHE 79 Cb 0.17 0.34 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 3jz4 h PHE 79 CO -0.01 -0.40 0.47 -0.91 -2.23 0.00 0.00 178.31 175.22 3jz4 h ASN 80 N -0.52 0.70 -0.75 0.41 2.35 -0.84 -1.79 115.58 115.15 3jz4 h ASN 80 Ca 0.03 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3jz4 h ASN 80 Cb 0.55 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 3jz4 h ASN 80 CO -0.17 0.42 0.42 -0.07 -1.65 0.00 0.00 177.43 176.38 3jz4 h LEU 81 N 0.82 0.92 -0.60 1.61 3.38 -0.86 0.67 115.31 121.24 3jz4 h LEU 81 Ca 0.37 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3jz4 h LEU 81 Cb 0.26 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3jz4 h LEU 81 CO -0.21 0.74 0.34 0.24 0.09 0.00 0.00 178.44 179.64 3jz4 h MET 82 N 1.03 0.63 -0.14 1.13 2.86 -0.43 -0.54 114.93 119.46 3jz4 h MET 82 Ca 0.26 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.67 3jz4 h MET 82 Cb 0.01 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.53 3jz4 h MET 82 CO -0.04 0.42 -0.70 0.52 1.06 0.00 0.00 176.91 178.16 3jz4 h MET 83 N 0.65 0.62 -0.54 1.72 2.86 -1.09 -1.78 114.93 117.38 3jz4 h MET 83 Ca 0.26 -0.48 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 3jz4 h MET 83 Cb 0.10 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3jz4 h MET 83 CO -0.14 1.10 0.30 1.49 1.06 0.00 0.00 176.91 180.71 3jz4 h GLU 84 N 0.44 0.56 -0.80 1.72 4.81 -0.55 -2.99 114.58 117.77 3jz4 h GLU 84 Ca -0.03 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.89 3jz4 h GLU 84 Cb 1.30 -0.13 -0.16 0.00 0.63 0.00 0.00 28.75 30.39 3jz4 h GLU 84 CO 0.14 0.37 0.35 0.72 -0.73 0.00 0.00 179.01 179.85 3jz4 n HIS 85 N -4.83 2.61 -0.18 0.92 8.25 -0.24 -4.67 115.22 117.08 3jz4 n HIS 85 Ca 0.05 -1.33 -0.00 0.00 -0.26 0.00 0.00 57.72 56.18 3jz4 n HIS 85 Cb 0.12 -0.75 0.09 0.00 1.12 0.00 0.00 29.99 30.57 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 2.40 0.20 -0.36 -0.41 4.15 -1.17 -1.70 115.11 118.22 3jz4 h GLN 86 Ca 0.34 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 3jz4 h GLN 86 Cb 2.46 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 30.09 3jz4 h GLN 86 CO 0.82 0.13 0.18 -0.44 -1.93 0.00 0.00 178.83 177.59 3jz4 h ASP 87 N 0.21 0.46 -0.49 -0.69 3.32 -1.86 -0.48 116.42 116.88 3jz4 h ASP 87 Ca 0.29 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3jz4 h ASP 87 Cb 0.43 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3jz4 h ASP 87 CO -0.41 0.45 0.25 0.44 -1.72 0.00 0.00 179.24 178.25 3jz4 h ASP 88 N 0.44 0.64 -0.68 6.45 3.32 -1.87 -1.82 116.42 122.90 3jz4 h ASP 88 Ca 0.12 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3jz4 h ASP 88 Cb 0.11 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3jz4 h ASP 88 CO -0.02 0.57 0.21 -0.07 -1.72 0.00 0.00 179.24 178.21 3jz4 h LEU 89 N 0.65 1.00 -0.25 1.55 3.38 -1.09 -1.12 115.31 119.43 3jz4 h LEU 89 Ca 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3jz4 h LEU 89 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3jz4 h LEU 89 CO -0.02 0.95 0.13 0.00 0.09 0.00 0.00 178.44 179.58 3jz4 h ALA 90 N 1.09 0.32 -0.27 1.53 0.00 -1.01 -1.94 119.26 118.98 3jz4 h ALA 90 Ca 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3jz4 h ALA 90 Cb 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3jz4 h ALA 90 CO -0.01 -0.14 0.03 -0.09 0.00 0.00 0.00 179.25 179.04 3jz4 h ARG 91 N 0.28 0.11 -0.99 0.00 2.43 -1.07 -0.29 114.38 114.86 3jz4 h ARG 91 Ca 0.09 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3jz4 h ARG 91 Cb 0.08 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 3jz4 h ARG 91 CO -0.01 0.08 0.63 1.25 -1.51 0.00 0.00 179.97 180.40 3jz4 h LEU 92 N 0.12 0.98 -0.10 3.80 5.85 -1.12 -1.03 115.31 123.80 3jz4 h LEU 92 Ca 0.13 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3jz4 h LEU 92 Cb 0.15 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.00 3jz4 h LEU 92 CO -0.19 0.60 -0.55 -0.03 -0.34 0.00 0.00 178.44 177.93 3jz4 h MET 93 N 1.10 0.55 -0.23 1.25 4.05 -0.80 -2.61 114.93 118.24 3jz4 h MET 93 Ca 0.45 -0.46 0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3jz4 h MET 93 Cb 0.26 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 3jz4 h MET 93 CO -0.20 1.08 0.06 1.15 0.23 0.00 0.00 176.91 179.23 3jz4 h THR 94 N 0.17 0.91 -0.52 -0.77 2.02 -0.74 0.71 112.91 114.70 3jz4 h THR 94 Ca -0.04 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.16 3jz4 h THR 94 Cb 1.19 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 3jz4 h THR 94 CO 0.11 0.03 0.17 -0.07 0.37 0.00 0.00 175.52 176.13 3jz4 h LEU 95 N 0.16 0.14 0.10 2.58 3.38 -1.19 0.27 115.31 120.75 3jz4 h LEU 95 Ca 0.10 0.07 -0.31 0.00 0.09 0.00 0.00 57.88 57.84 3jz4 h LEU 95 Cb 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3jz4 h LEU 95 CO -0.13 0.11 -1.59 1.05 0.09 0.00 0.00 178.44 177.97 3jz4 h GLU 96 N 0.33 0.20 0.00 1.13 4.11 -1.33 -3.37 114.58 115.66 3jz4 h GLU 96 Ca 0.25 -0.35 -0.19 0.00 0.07 0.00 0.00 59.36 59.14 3jz4 h GLU 96 Cb 0.29 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3jz4 h GLU 96 CO -0.27 1.03 -1.88 0.00 0.07 0.00 0.00 179.01 177.95 3jz4 n GLN 97 N -3.39 1.47 0.00 1.06 -0.00 0.23 -4.49 117.38 112.25 3jz4 n GLN 97 Ca -0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.79 3jz4 n GLN 97 Cb 1.04 -1.35 0.00 0.00 -0.00 0.00 0.00 30.24 29.93 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 2.04 2.73 3.72 2.61 0.00 0.08 -4.65 105.19 111.72 3jz4 n GLY 98 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.41 2.00 0.52 1.61 -2.85 -1.26 -4.09 119.74 115.26 3jz4 s LYS 99 Ca 0.00 1.67 -0.22 0.00 -1.00 0.00 0.00 55.97 56.42 3jz4 s LYS 99 Cb 0.00 -1.83 -0.06 0.00 -2.06 0.00 0.00 37.83 33.88 3jz4 s LYS 99 CO 0.00 -1.92 1.23 -2.30 0.10 0.00 0.00 175.35 172.46 3jz4 n PRO 100 N -2.99 1.55 -0.30 1.78 -0.02 -1.26 -4.52 135.00 129.24 3jz4 n PRO 100 Ca 0.13 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.27 3jz4 n PRO 100 Cb 0.51 -2.40 0.26 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.40 0.44 -1.19 2.45 5.85 -1.46 0.18 115.31 122.97 3jz4 h LEU 101 Ca -0.49 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3jz4 h LEU 101 Cb 1.32 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 3jz4 h LEU 101 CO 0.56 0.12 0.08 0.00 -0.34 0.00 0.00 178.44 178.86 3jz4 h ALA 102 N 1.63 1.35 -0.40 1.25 0.00 -1.90 0.18 119.26 121.37 3jz4 h ALA 102 Ca 0.51 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 3jz4 h ALA 102 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3jz4 h ALA 102 CO -0.44 0.46 -0.34 0.93 0.00 0.00 0.00 179.25 179.86 3jz4 h GLU 103 N 0.62 0.92 -0.57 0.00 5.08 -1.37 -1.80 114.58 117.45 3jz4 h GLU 103 Ca 0.14 -0.46 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 3jz4 h GLU 103 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3jz4 h GLU 103 CO 0.00 1.11 0.12 0.00 -1.00 0.00 0.00 179.01 179.25 3jz4 h ALA 104 N 0.83 0.76 -0.69 3.43 0.00 -0.30 0.02 119.26 123.31 3jz4 h ALA 104 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3jz4 h ALA 104 Cb 0.93 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3jz4 h ALA 104 CO 0.09 0.48 0.35 0.87 0.00 0.00 0.00 179.25 181.04 3jz4 h LYS 105 N 0.83 0.98 -0.66 0.00 1.57 -0.66 -1.11 116.57 117.52 3jz4 h LYS 105 Ca 0.18 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3jz4 h LYS 105 Cb 0.38 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3jz4 h LYS 105 CO 0.01 0.75 0.42 0.78 -0.57 0.00 0.00 179.45 180.84 3jz4 h GLY 106 N 0.95 0.94 1.37 3.86 0.00 -1.06 -2.35 103.07 106.76 3jz4 h GLY 106 Ca 0.24 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3jz4 h GLY 106 CO -0.03 0.29 -0.09 -2.09 0.00 0.00 0.00 176.54 174.61 3jz4 h GLU 107 N 0.83 0.76 -0.64 4.80 4.81 -0.58 -1.70 114.58 122.87 3jz4 h GLU 107 Ca 0.26 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3jz4 h GLU 107 Cb -0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3jz4 h GLU 107 CO -0.09 0.83 0.37 0.82 -0.73 0.00 0.00 179.01 180.21 3jz4 h ILE 108 N 0.69 1.19 -0.59 2.32 1.08 -0.86 0.43 117.51 121.77 3jz4 h ILE 108 Ca 0.12 -0.45 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 3jz4 h ILE 108 Cb 0.56 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 3jz4 h ILE 108 CO 0.03 0.20 0.24 -1.28 -0.69 0.00 0.00 178.15 176.65 3jz4 h SER 109 N 0.86 0.81 -0.07 1.72 0.87 -1.21 0.07 113.55 116.61 3jz4 h SER 109 Ca 0.23 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3jz4 h SER 109 Cb 0.00 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3jz4 h SER 109 CO -0.04 0.75 -0.07 0.22 -0.53 0.00 0.00 176.83 177.17 3jz4 h TYR 110 N 0.81 0.20 -0.32 2.24 3.20 -1.06 -2.21 116.97 119.83 3jz4 h TYR 110 Ca 0.20 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.06 3jz4 h TYR 110 Cb 0.20 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 3jz4 h TYR 110 CO 0.01 0.61 0.02 0.00 -1.64 0.00 0.00 178.16 177.15 3jz4 h ALA 111 N 0.56 0.30 -0.77 1.82 0.00 -0.05 -1.96 119.26 119.16 3jz4 h ALA 111 Ca 0.01 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3jz4 h ALA 111 Cb 0.57 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3jz4 h ALA 111 CO 0.02 -0.39 0.51 0.00 0.00 0.00 0.00 179.25 179.38 3jz4 h ALA 112 N 1.26 1.62 -0.03 0.00 0.00 -0.97 -2.72 119.26 118.43 3jz4 h ALA 112 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3jz4 h ALA 112 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3jz4 h ALA 112 CO -0.24 0.27 0.01 0.66 0.00 0.00 0.00 179.25 179.95 3jz4 h SER 113 N 0.86 0.03 -0.63 0.00 4.64 -0.70 -0.77 113.55 116.99 3jz4 h SER 113 Ca 0.33 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.55 3jz4 h SER 113 Cb 0.19 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3jz4 h SER 113 CO -0.11 0.03 0.02 -0.26 -0.87 0.00 0.00 176.83 175.65 3jz4 h PHE 114 N 0.04 1.19 -0.24 4.77 0.04 -1.46 0.16 116.94 121.43 3jz4 h PHE 114 Ca 0.01 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 3jz4 h PHE 114 Cb 0.01 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 3jz4 h PHE 114 CO 0.00 1.03 0.12 0.82 -0.60 0.00 0.00 178.31 179.68 3jz4 h ILE 115 N 1.00 1.14 0.12 -0.55 1.08 -1.23 -1.65 117.51 117.42 3jz4 h ILE 115 Ca 0.18 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 3jz4 h ILE 115 Cb 0.54 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 3jz4 h ILE 115 CO 0.03 0.14 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.49 3jz4 h GLU 116 N 0.26 -0.16 -0.49 2.37 4.81 -1.25 -1.40 114.58 118.72 3jz4 h GLU 116 Ca 0.08 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 3jz4 h GLU 116 Cb 0.12 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 3jz4 h GLU 116 CO -0.01 -0.03 0.10 2.35 -0.73 0.00 0.00 179.01 180.69 3jz4 h TRP 117 N -0.25 0.16 0.00 0.92 2.91 -0.65 -2.39 115.95 116.64 3jz4 h TRP 117 Ca -0.02 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 59.84 3jz4 h TRP 117 Cb 0.20 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 3jz4 h TRP 117 CO -0.04 -0.01 -0.86 0.74 -1.03 0.00 0.00 178.44 177.24 3jz4 h PHE 118 N 0.23 0.22 -0.79 2.65 -1.00 -1.25 0.22 116.94 117.23 3jz4 h PHE 118 Ca 0.25 -0.12 0.19 0.00 2.81 0.00 0.00 57.97 61.09 3jz4 h PHE 118 Cb 0.33 -0.02 -0.12 0.00 3.61 0.00 0.00 35.95 39.74 3jz4 h PHE 118 CO -0.23 0.94 0.19 0.00 -1.61 0.00 0.00 178.31 177.60 3jz4 h ALA 119 N 1.02 1.06 -0.19 2.45 0.00 -0.95 0.53 119.26 123.18 3jz4 h ALA 119 Ca -0.04 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3jz4 h ALA 119 Cb 1.49 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3jz4 h ALA 119 CO 0.13 -0.38 -0.40 0.93 0.00 0.00 0.00 179.25 179.53 3jz4 h GLU 120 N 0.25 0.60 -0.24 0.00 5.08 -1.06 -3.26 114.58 115.96 3jz4 h GLU 120 Ca 0.46 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3jz4 h GLU 120 Cb 0.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3jz4 h GLU 120 CO -0.57 1.01 0.02 1.49 -1.00 0.00 0.00 179.01 179.96 3jz4 h GLU 121 N 0.27 0.35 -0.50 2.33 4.57 -0.27 -2.58 114.58 118.74 3jz4 h GLU 121 Ca 0.00 -0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.27 3jz4 h GLU 121 Cb 1.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 3jz4 h GLU 121 CO 0.09 0.37 0.38 0.78 -1.18 0.00 0.00 179.01 179.44 3jz4 h GLY 122 N 0.63 0.00 1.17 1.92 0.00 -0.95 0.16 103.07 105.99 3jz4 h GLY 122 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3jz4 h GLY 122 CO 0.00 0.00 -0.07 0.28 0.00 0.00 0.00 176.54 176.76 3jz4 n LYS 123 N -4.30 0.59 -0.72 4.80 5.02 -0.97 -3.87 118.16 118.71 3jz4 n LYS 123 Ca 0.09 -0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.31 3jz4 n LYS 123 Cb 0.59 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.25 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 -1.09 1.07 -2.46 1.97 1.74 0.54 -4.95 116.66 113.46 3jz4 n ARG 124 Ca 0.15 -2.74 -0.40 0.00 -0.77 0.00 0.00 57.85 54.09 3jz4 n ARG 124 Cb 0.26 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.21 3.69 -0.20 0.55 1.01 -1.18 -4.98 121.20 117.89 3jz4 s ILE 125 Ca 0.34 0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.99 3jz4 s ILE 125 Cb 0.34 -4.77 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3jz4 s ILE 125 CO -0.07 -1.71 0.39 -0.31 0.00 0.00 0.00 174.94 173.24 3jz4 s TYR 126 N 6.24 3.38 0.34 3.97 2.02 -1.26 -4.92 117.35 127.11 3jz4 s TYR 126 Ca 0.43 0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 57.69 3jz4 s TYR 126 Cb -0.07 -2.52 0.08 0.00 -0.40 0.00 0.00 41.96 39.04 3jz4 s TYR 126 CO 0.11 -0.00 0.46 0.41 -1.57 0.00 0.00 175.55 174.96 3jz4 n GLY 127 N 3.91 -0.73 3.26 0.71 0.00 -1.26 -4.83 105.19 106.25 3jz4 n GLY 127 Ca -0.08 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.72 2.00 -0.01 1.61 1.01 0.03 -4.97 116.67 113.63 3jz4 s ASP 128 Ca 0.27 -0.93 0.05 0.00 0.71 0.00 0.00 52.55 52.65 3jz4 s ASP 128 Cb -0.01 -0.06 -0.03 0.00 1.01 0.00 0.00 42.92 43.84 3jz4 s ASP 128 CO 0.19 -0.23 -0.14 0.42 0.21 0.00 0.00 175.17 175.62 3jz4 s THR 129 N -2.76 3.11 -0.05 -1.27 -4.23 -1.26 -0.64 115.64 108.54 3jz4 s THR 129 Ca 0.14 -0.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 3jz4 s THR 129 Cb -0.01 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3jz4 s THR 129 CO 0.03 0.47 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.80 3jz4 s ILE 130 N -0.85 1.30 0.21 2.99 1.01 -0.67 -5.00 121.20 120.19 3jz4 s ILE 130 Ca 0.14 -0.63 -0.32 0.00 0.00 0.00 0.00 60.65 59.84 3jz4 s ILE 130 Cb -0.11 -1.14 -0.14 0.00 0.01 0.00 0.00 42.46 41.09 3jz4 s ILE 130 CO 0.03 0.38 1.44 -2.65 0.00 0.00 0.00 174.94 174.14 3jz4 n PRO 131 N 3.33 1.98 -1.82 2.79 -0.02 -1.26 -3.93 135.00 136.07 3jz4 n PRO 131 Ca -0.19 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 3jz4 n PRO 131 Cb 0.53 -2.38 0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.44 2.29 0.41 -1.23 0.00 -1.26 -4.94 107.32 103.04 3jz4 s GLY 132 Ca 0.72 0.66 0.23 0.00 0.00 0.00 0.00 44.72 46.32 3jz4 s GLY 132 CO 0.47 1.02 1.68 1.12 0.00 0.00 0.00 173.10 177.39 3jz4 h HIS 133 N 0.24 0.00 -3.90 1.90 2.07 -1.91 -3.45 115.15 110.09 3jz4 h HIS 133 Ca -0.48 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 56.83 3jz4 h HIS 133 Cb 1.26 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.08 3jz4 h HIS 133 CO 0.53 0.21 -0.70 -0.65 -3.07 0.00 0.00 177.93 174.25 3jz4 s GLN 134 N -3.35 0.74 0.49 5.12 -0.21 -1.26 -5.05 119.66 116.14 3jz4 s GLN 134 Ca 0.03 -1.20 0.22 0.00 0.02 0.00 0.00 55.36 54.43 3jz4 s GLN 134 Cb 0.08 -0.16 1.28 0.00 1.00 0.00 0.00 33.01 35.21 3jz4 s GLN 134 CO 0.66 -0.02 2.05 0.00 -2.12 0.00 0.00 175.29 175.86 3jz4 h ALA 135 N 3.31 1.47 -0.58 6.09 0.00 -2.03 -2.32 119.26 125.20 3jz4 h ALA 135 Ca -0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3jz4 h ALA 135 Cb 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3jz4 h ALA 135 CO 0.60 0.18 0.02 -0.40 0.00 0.00 0.00 179.25 179.65 3jz4 n ASP 136 N -3.94 5.63 -4.25 0.00 5.75 -1.26 -4.92 116.55 113.56 3jz4 n ASP 136 Ca -0.02 -2.94 -0.26 0.00 -0.01 0.00 0.00 54.79 51.56 3jz4 n ASP 136 Cb 0.23 -0.69 -0.14 0.00 -1.03 0.00 0.00 41.12 39.49 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 -2.76 1.43 -0.01 0.11 -0.14 -0.87 -0.20 119.74 117.29 3jz4 s LYS 137 Ca 0.54 -0.94 0.05 0.00 -1.36 0.00 0.00 55.97 54.27 3jz4 s LYS 137 Cb 0.41 -1.54 -0.01 0.00 -1.68 0.00 0.00 37.83 35.01 3jz4 s LYS 137 CO 0.16 0.39 -0.17 1.03 -0.76 0.00 0.00 175.35 176.00 3jz4 s ARG 138 N -1.14 1.40 -0.15 1.68 1.81 -0.16 -4.47 118.95 117.91 3jz4 s ARG 138 Ca 0.08 -0.62 0.02 0.00 -1.72 0.00 0.00 55.73 53.48 3jz4 s ARG 138 Cb -0.09 -1.36 0.01 0.00 -0.45 0.00 0.00 34.95 33.07 3jz4 s ARG 138 CO 0.02 0.37 -0.21 -0.51 -0.68 0.00 0.00 175.30 174.29 3jz4 s LEU 139 N -0.42 2.12 -0.04 2.53 1.43 -1.25 -0.41 118.68 122.64 3jz4 s LEU 139 Ca 0.07 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3jz4 s LEU 139 Cb -0.07 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.71 3jz4 s LEU 139 CO -0.01 0.05 -0.08 -0.63 0.23 0.00 0.00 176.35 175.92 3jz4 s ILE 140 N 0.99 0.72 -0.14 -0.59 1.01 -0.25 -1.66 121.20 121.27 3jz4 s ILE 140 Ca -0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 3jz4 s ILE 140 Cb -0.15 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 3jz4 s ILE 140 CO -0.06 0.25 -0.14 -0.69 0.00 0.00 0.00 174.94 174.30 3jz4 s VAL 141 N 0.52 2.88 0.25 2.92 1.01 0.19 -0.13 120.40 128.03 3jz4 s VAL 141 Ca -0.08 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.30 3jz4 s VAL 141 Cb -0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3jz4 s VAL 141 CO 0.01 0.52 -0.19 0.27 0.00 0.00 0.00 175.10 175.70 3jz4 s ILE 142 N 0.61 2.25 -0.11 2.22 -4.36 -0.38 -0.78 121.20 120.64 3jz4 s ILE 142 Ca -0.08 -2.30 0.02 0.00 -0.26 0.00 0.00 60.65 58.04 3jz4 s ILE 142 Cb -0.16 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.37 3jz4 s ILE 142 CO 0.03 -0.42 -0.19 -0.54 0.24 0.00 0.00 174.94 174.07 3jz4 s LYS 143 N -3.42 2.56 0.12 0.37 1.02 -1.26 -0.47 119.74 118.66 3jz4 s LYS 143 Ca 0.26 -0.69 0.07 0.00 0.02 0.00 0.00 55.97 55.63 3jz4 s LYS 143 Cb -0.04 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 3jz4 s LYS 143 CO 0.12 0.01 -0.18 -0.65 -0.92 0.00 0.00 175.35 173.73 3jz4 s GLN 144 N 0.77 1.11 0.30 1.68 -0.21 -0.47 -4.92 119.66 117.94 3jz4 s GLN 144 Ca -0.10 -1.23 -0.29 0.00 0.02 0.00 0.00 55.36 53.76 3jz4 s GLN 144 Cb -0.16 -1.21 -0.13 0.00 1.00 0.00 0.00 33.01 32.51 3jz4 s GLN 144 CO 0.01 0.26 1.27 -0.35 -2.12 0.00 0.00 175.29 174.36 3jz4 n PRO 145 N 0.76 1.94 0.23 2.91 -0.04 -1.25 0.04 135.00 139.59 3jz4 n PRO 145 Ca -0.17 0.68 0.07 0.00 -0.04 0.00 0.00 63.50 64.05 3jz4 n PRO 145 Cb 0.55 -2.24 0.54 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.58 0.94 0.00 0.52 2.10 -1.36 -3.42 117.51 118.88 3jz4 h ILE 146 Ca -0.45 -0.79 0.00 0.00 1.08 0.00 0.00 64.86 64.70 3jz4 h ILE 146 Cb 1.29 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.48 3jz4 h ILE 146 CO 0.66 0.21 0.00 0.61 -1.08 0.00 0.00 178.15 178.55 3jz4 n GLY 147 N -0.70 0.19 3.71 8.18 0.00 -1.26 -4.87 105.19 110.43 3jz4 n GLY 147 Ca -0.02 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.42 4.17 0.14 1.61 1.01 -1.26 -2.91 120.40 122.74 3jz4 s VAL 148 Ca 0.00 1.55 0.10 0.00 0.00 0.00 0.00 61.98 63.62 3jz4 s VAL 148 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3jz4 s VAL 148 CO 0.00 0.09 -0.23 0.42 0.00 0.00 0.00 175.10 175.38 3jz4 s THR 149 N 1.37 1.99 0.05 3.92 -4.23 0.24 -1.28 115.64 117.70 3jz4 s THR 149 Ca 0.57 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 3jz4 s THR 149 Cb -0.27 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 3jz4 s THR 149 CO 0.27 -0.08 -0.21 0.00 -0.54 0.00 0.00 174.62 174.07 3jz4 s ALA 150 N -1.39 2.50 -0.03 3.99 0.00 0.22 -1.39 121.76 125.67 3jz4 s ALA 150 Ca 0.13 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.88 3jz4 s ALA 150 Cb -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3jz4 s ALA 150 CO 0.06 0.56 -0.09 0.00 0.00 0.00 0.00 175.76 176.29 3jz4 s ALA 151 N -0.90 0.89 -0.14 0.00 0.00 -0.65 -0.97 121.76 119.99 3jz4 s ALA 151 Ca 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3jz4 s ALA 151 Cb -0.10 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.71 3jz4 s ALA 151 CO 0.05 0.15 -0.17 0.42 0.00 0.00 0.00 175.76 176.20 3jz4 s ILE 152 N 0.17 1.76 0.07 0.00 1.01 -0.30 -0.42 121.20 123.49 3jz4 s ILE 152 Ca -0.03 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.94 3jz4 s ILE 152 Cb -0.09 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3jz4 s ILE 152 CO 0.01 0.49 -0.23 0.42 0.00 0.00 0.00 174.94 175.62 3jz4 s THR 153 N 1.21 1.91 0.49 2.92 -4.23 -0.77 -2.41 115.64 114.76 3jz4 s THR 153 Ca 0.00 -1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 3jz4 s THR 153 Cb -0.14 -1.67 0.10 0.00 1.34 0.00 0.00 72.50 72.14 3jz4 s THR 153 CO -0.08 0.19 0.67 -0.81 -0.54 0.00 0.00 174.62 174.06 3jz4 n PRO 154 N 1.55 -0.17 0.01 3.99 -0.04 -1.23 -1.64 135.00 137.46 3jz4 n PRO 154 Ca -0.18 -1.48 0.11 0.00 -0.04 0.00 0.00 63.50 61.91 3jz4 n PRO 154 Cb 0.53 -0.55 0.02 0.00 -0.04 0.00 0.00 33.50 33.46 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 -2.57 0.08 0.09 0.54 4.27 -1.26 -4.37 117.44 114.22 3jz4 n TRP 155 Ca 0.10 0.02 -0.14 0.00 -3.89 0.00 0.00 57.50 53.59 3jz4 n TRP 155 Cb 0.35 -0.21 -0.14 0.00 -1.36 0.00 0.00 31.31 29.95 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 0.32 -2.89 -0.67 -1.07 -1.96 -3.36 115.58 105.95 3jz4 h ASN 156 Ca 0.00 -0.35 -0.61 0.00 0.07 0.00 0.00 56.30 55.41 3jz4 h ASN 156 Cb 0.59 -0.10 -0.41 0.00 -2.07 0.00 0.00 38.32 36.32 3jz4 h ASN 156 CO 0.00 1.27 -0.69 -0.36 0.07 0.00 0.00 177.43 177.72 3jz4 s PHE 157 N -2.67 2.83 -0.33 4.14 0.08 -1.26 -5.00 117.98 115.78 3jz4 s PHE 157 Ca -0.03 -3.04 0.24 0.00 0.12 0.00 0.00 56.93 54.23 3jz4 s PHE 157 Cb 0.08 -2.18 1.10 0.00 -0.57 0.00 0.00 43.02 41.45 3jz4 s PHE 157 CO 0.87 -0.63 1.74 -1.35 -0.10 0.00 0.00 175.22 175.75 3jz4 h PRO 158 N 5.48 0.00 0.00 0.24 0.11 -1.79 -2.13 132.00 133.91 3jz4 h PRO 158 Ca 0.18 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.98 3jz4 h PRO 158 Cb 0.80 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 3jz4 h PRO 158 CO 0.61 0.00 -2.02 0.00 -0.21 0.00 0.00 178.00 176.39 3jz4 n ALA 159 N -1.81 1.82 -0.32 -0.75 0.00 -1.26 -4.15 120.51 114.04 3jz4 n ALA 159 Ca 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 53.44 52.71 3jz4 n ALA 159 Cb 0.18 0.26 0.11 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 -0.63 1.13 -0.73 0.00 0.00 -1.80 -2.22 119.26 115.02 3jz4 h ALA 160 Ca -0.46 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.46 3jz4 h ALA 160 Cb 1.41 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3jz4 h ALA 160 CO -0.27 0.43 0.48 0.52 0.00 0.00 0.00 179.25 180.41 3jz4 h MET 161 N 1.11 0.78 0.76 0.00 2.86 -1.67 -0.43 114.93 118.34 3jz4 h MET 161 Ca 0.34 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 3jz4 h MET 161 Cb -0.03 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.46 3jz4 h MET 161 CO -0.10 0.51 -0.36 0.82 1.06 0.00 0.00 176.91 178.84 3jz4 h ILE 162 N 0.80 0.09 -0.05 -1.22 1.08 -1.65 -3.31 117.51 113.25 3jz4 h ILE 162 Ca 0.31 -0.21 -0.06 0.00 -0.39 0.00 0.00 64.86 64.50 3jz4 h ILE 162 Cb 0.20 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 3jz4 h ILE 162 CO -0.10 0.01 -0.26 0.71 -0.69 0.00 0.00 178.15 177.82 3jz4 h THR 163 N -1.21 1.21 0.00 -0.27 1.35 -1.21 0.63 112.91 113.41 3jz4 h THR 163 Ca -0.10 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3jz4 h THR 163 Cb 0.80 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3jz4 h THR 163 CO 0.17 0.29 0.00 0.03 -0.25 0.00 0.00 175.52 175.76 3jz4 h ARG 164 N 0.08 0.00 0.00 4.72 3.08 -1.18 -1.00 114.38 120.08 3jz4 h ARG 164 Ca 0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 3jz4 h ARG 164 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3jz4 h ARG 164 CO 0.04 0.00 -1.73 1.63 -1.07 0.00 0.00 179.97 178.84 3jz4 n LYS 165 N -2.82 0.29 -0.07 0.04 5.02 -0.73 -4.54 118.16 115.33 3jz4 n LYS 165 Ca -0.02 0.11 -0.04 0.00 -2.02 0.00 0.00 58.31 56.35 3jz4 n LYS 165 Cb 0.12 -1.03 0.19 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.37 1.15 0.13 7.82 0.00 -0.96 -2.51 119.26 124.52 3jz4 h ALA 166 Ca -0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3jz4 h ALA 166 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3jz4 h ALA 166 CO -0.17 0.55 -0.20 0.78 0.00 0.00 0.00 179.25 180.21 3jz4 h GLY 167 N 0.95 -1.03 1.53 0.00 0.00 -1.39 -0.57 103.07 102.56 3jz4 h GLY 167 Ca 0.13 0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.89 3jz4 h GLY 167 CO 0.02 -0.34 0.07 -0.56 0.00 0.00 0.00 176.54 175.73 3jz4 h PRO 168 N -0.35 0.59 0.22 4.80 0.13 -1.76 -1.76 132.00 133.87 3jz4 h PRO 168 Ca -0.02 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3jz4 h PRO 168 Cb 0.32 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.36 3jz4 h PRO 168 CO -0.06 0.57 -0.11 0.00 -0.23 0.00 0.00 178.00 178.17 3jz4 h ALA 169 N 1.50 -0.30 -0.35 -0.56 0.00 -1.35 0.51 119.26 118.71 3jz4 h ALA 169 Ca 0.13 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3jz4 h ALA 169 Cb 0.27 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3jz4 h ALA 169 CO 0.00 -0.64 -0.27 -0.07 0.00 0.00 0.00 179.25 178.28 3jz4 h LEU 170 N -0.37 0.74 -1.02 0.00 3.38 -1.00 -0.17 115.31 116.87 3jz4 h LEU 170 Ca -0.03 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 3jz4 h LEU 170 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3jz4 h LEU 170 CO 0.05 0.97 -0.48 0.00 0.09 0.00 0.00 178.44 179.08 3jz4 h ALA 171 N 1.08 1.15 0.00 1.53 0.00 -1.23 -1.45 119.26 120.34 3jz4 h ALA 171 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3jz4 h ALA 171 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3jz4 h ALA 171 CO 0.06 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3jz4 h ALA 172 N 1.52 1.00 0.00 0.00 0.00 -0.60 -3.41 119.26 117.77 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 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 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 0.11 0.93 3.88 0.00 0.00 -0.55 -3.79 105.19 105.77 3jz4 n GLY 173 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.10 3.55 -0.05 0.00 -4.23 -1.15 -3.99 115.64 106.68 3jz4 s THR 175 Ca 0.54 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 3jz4 s THR 175 Cb -0.11 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.59 3jz4 s THR 175 CO 0.52 -0.21 0.12 -0.32 -0.54 0.00 0.00 174.62 174.20 3jz4 s MET 176 N -3.93 0.12 -0.21 3.99 0.00 0.09 -0.60 119.30 118.77 3jz4 s MET 176 Ca 0.39 0.23 -0.03 0.00 0.00 0.00 0.00 55.69 56.28 3jz4 s MET 176 Cb -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 34.83 34.75 3jz4 s MET 176 CO 0.25 -0.07 -0.08 0.08 0.00 0.00 0.00 175.02 175.21 3jz4 s VAL 177 N 0.45 3.08 -0.13 10.11 1.01 -0.49 -1.06 120.40 133.38 3jz4 s VAL 177 Ca -0.03 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 3jz4 s VAL 177 Cb -0.05 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3jz4 s VAL 177 CO -0.02 0.44 -0.12 -0.22 0.00 0.00 0.00 175.10 175.18 3jz4 s LEU 178 N 1.44 2.79 -0.35 3.92 0.20 0.96 -1.63 118.68 126.02 3jz4 s LEU 178 Ca 0.05 -0.29 -0.07 0.00 0.69 0.00 0.00 54.13 54.52 3jz4 s LEU 178 Cb -0.14 -1.63 0.04 0.00 -0.43 0.00 0.00 46.19 44.03 3jz4 s LEU 178 CO -0.05 0.18 0.12 -0.75 -0.29 0.00 0.00 176.35 175.55 3jz4 s LYS 179 N 0.28 2.60 0.64 1.98 2.20 0.45 -0.66 119.74 127.23 3jz4 s LYS 179 Ca -0.09 -1.22 -0.07 0.00 -0.36 0.00 0.00 55.97 54.23 3jz4 s LYS 179 Cb -0.15 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3jz4 s LYS 179 CO 0.05 -0.70 0.97 -1.25 -0.36 0.00 0.00 175.35 174.06 3jz4 s PRO 180 N 1.40 2.77 0.26 4.03 0.04 -1.26 -1.85 135.00 140.38 3jz4 s PRO 180 Ca -0.01 0.06 -0.31 0.00 0.04 0.00 0.00 61.00 60.78 3jz4 s PRO 180 Cb -0.20 -2.19 -0.11 0.00 0.04 0.00 0.00 34.50 32.04 3jz4 s PRO 180 CO 0.03 -0.88 1.63 0.00 0.04 0.00 0.00 177.00 177.81 3jz4 s ALA 181 N -3.13 3.81 0.58 8.56 0.00 -0.65 -4.83 121.76 126.10 3jz4 s ALA 181 Ca 0.56 1.56 0.27 0.00 0.00 0.00 0.00 51.96 54.35 3jz4 s ALA 181 Cb -0.11 -3.66 1.72 0.00 0.00 0.00 0.00 23.12 21.08 3jz4 s ALA 181 CO 0.47 -0.94 2.24 0.77 0.00 0.00 0.00 175.76 178.29 3jz4 h SER 182 N 5.63 0.00 1.62 0.00 0.02 -1.89 -2.19 113.55 116.73 3jz4 h SER 182 Ca -0.45 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 3jz4 h SER 182 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 3jz4 h SER 182 CO 0.86 0.00 -0.33 1.56 -1.14 0.00 0.00 176.83 177.78 3jz4 h GLN 183 N 0.00 0.00 -2.02 3.45 4.20 -1.93 -3.39 115.11 115.41 3jz4 h GLN 183 Ca -0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3jz4 h GLN 183 Cb 0.00 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.38 3jz4 h GLN 183 CO 0.00 0.33 -1.14 0.25 -0.67 0.00 0.00 178.83 177.60 3jz4 n THR 184 N -3.19 0.05 0.13 -0.54 -2.24 -0.86 -4.76 114.28 102.87 3jz4 n THR 184 Ca 0.03 -4.61 0.11 0.00 -2.27 0.00 0.00 64.05 57.31 3jz4 n THR 184 Cb 0.65 -0.57 0.04 0.00 -2.10 0.00 0.00 70.33 68.35 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 3.13 0.00 -0.61 -0.78 0.13 -1.69 -3.37 132.00 128.81 3jz4 h PRO 185 Ca 0.10 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 3jz4 h PRO 185 Cb 0.92 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 3jz4 h PRO 185 CO 0.52 0.01 0.15 0.74 -0.23 0.00 0.00 178.00 179.19 3jz4 h PHE 186 N 0.00 0.98 -0.79 1.56 0.04 -1.89 -1.70 116.94 115.13 3jz4 h PHE 186 Ca -0.00 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.71 3jz4 h PHE 186 Cb 1.01 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 38.83 3jz4 h PHE 186 CO 0.00 0.81 0.49 0.77 -0.60 0.00 0.00 178.31 179.78 3jz4 h SER 187 N 0.91 0.80 -0.28 2.17 0.02 -1.87 -0.80 113.55 114.50 3jz4 h SER 187 Ca 0.20 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3jz4 h SER 187 Cb 0.32 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3jz4 h SER 187 CO -0.00 0.53 0.03 0.00 -1.14 0.00 0.00 176.83 176.25 3jz4 h ALA 188 N 1.35 0.37 -0.05 3.77 0.00 -1.50 -2.48 119.26 120.73 3jz4 h ALA 188 Ca 0.33 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3jz4 h ALA 188 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3jz4 h ALA 188 CO -0.14 0.08 -0.44 -0.07 0.00 0.00 0.00 179.25 178.68 3jz4 h LEU 189 N 0.27 0.13 -0.33 0.00 3.38 -1.10 -1.03 115.31 116.64 3jz4 h LEU 189 Ca 0.08 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3jz4 h LEU 189 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3jz4 h LEU 189 CO 0.01 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.10 3jz4 h ALA 190 N 1.45 0.44 -0.89 1.53 0.00 -1.05 -0.63 119.26 120.11 3jz4 h ALA 190 Ca 0.01 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3jz4 h ALA 190 Cb 0.83 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3jz4 h ALA 190 CO 0.06 0.19 0.57 -0.07 0.00 0.00 0.00 179.25 180.00 3jz4 h LEU 191 N 0.38 0.93 -0.38 0.00 4.07 -1.07 -1.03 115.31 118.21 3jz4 h LEU 191 Ca 0.09 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.11 3jz4 h LEU 191 Cb 0.44 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 3jz4 h LEU 191 CO 0.02 0.62 0.11 0.00 -1.08 0.00 0.00 178.44 178.10 3jz4 h ALA 192 N 1.39 0.43 -0.47 1.53 0.00 -0.96 -0.34 119.26 120.84 3jz4 h ALA 192 Ca 0.37 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.37 3jz4 h ALA 192 Cb 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3jz4 h ALA 192 CO -0.14 -0.29 0.24 1.49 0.00 0.00 0.00 179.25 180.55 3jz4 h GLU 193 N 0.25 0.45 0.00 0.00 4.57 -0.46 -1.94 114.58 117.46 3jz4 h GLU 193 Ca 0.18 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3jz4 h GLU 193 Cb 0.18 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3jz4 h GLU 193 CO -0.20 0.30 -0.34 -0.07 -1.18 0.00 0.00 179.01 177.52 3jz4 h LEU 194 N 0.47 0.00 -0.52 1.64 3.38 -0.89 -2.09 115.31 117.30 3jz4 h LEU 194 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3jz4 h LEU 194 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3jz4 h LEU 194 CO -0.14 0.34 0.27 0.00 0.09 0.00 0.00 178.44 179.00 3jz4 h ALA 195 N 1.66 0.67 0.05 1.53 0.00 -0.39 0.64 119.26 123.42 3jz4 h ALA 195 Ca -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3jz4 h ALA 195 Cb 0.61 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3jz4 h ALA 195 CO 0.04 0.21 -0.22 0.82 0.00 0.00 0.00 179.25 180.11 3jz4 h ILE 196 N 0.70 0.50 -0.19 0.00 1.08 -0.96 -1.37 117.51 117.26 3jz4 h ILE 196 Ca 0.18 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.67 3jz4 h ILE 196 Cb 0.08 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 3jz4 h ILE 196 CO -0.03 0.00 0.13 0.03 -0.69 0.00 0.00 178.15 177.59 3jz4 h ARG 197 N -0.37 0.18 0.00 2.37 3.08 -1.11 -1.80 114.38 116.73 3jz4 h ARG 197 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3jz4 h ARG 197 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3jz4 h ARG 197 CO -0.16 0.12 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 3jz4 h ALA 198 N 1.89 1.00 0.00 0.04 0.00 -0.49 -3.47 119.26 118.22 3jz4 h ALA 198 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3jz4 h ALA 198 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3jz4 h ALA 198 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3jz4 n GLY 199 N 0.47 1.15 3.65 0.00 0.00 -0.68 -4.67 105.19 105.11 3jz4 n GLY 199 Ca 0.02 0.00 -0.43 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 3.72 0.74 1.61 1.01 -0.55 -4.95 120.40 119.98 3jz4 s VAL 200 Ca 0.00 0.86 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 3jz4 s VAL 200 Cb 0.00 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.82 3jz4 s VAL 200 CO 0.00 -0.14 1.16 -2.84 0.00 0.00 0.00 175.10 173.28 3jz4 s PRO 201 N 4.15 2.18 0.07 2.72 0.02 -1.26 -4.58 135.00 138.29 3jz4 s PRO 201 Ca 0.70 1.57 -0.35 0.00 0.02 0.00 0.00 61.00 62.94 3jz4 s PRO 201 Cb -0.29 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.23 3jz4 s PRO 201 CO 0.27 -1.77 1.58 0.00 -0.33 0.00 0.00 177.00 176.76 3jz4 n ALA 202 N -2.92 0.58 0.00 -1.55 0.00 -1.26 -2.23 120.51 113.13 3jz4 n ALA 202 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3jz4 n ALA 202 Cb 0.51 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 3.42 2.14 0.23 0.00 0.00 -1.26 -4.75 105.19 104.96 3jz4 n GLY 203 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 1.29 -3.27 1.61 2.07 -1.73 -3.22 116.25 113.00 3jz4 h VAL 204 Ca 0.00 -1.75 -0.50 0.00 0.82 0.00 0.00 66.70 65.28 3jz4 h VAL 204 Cb 0.00 1.67 -0.39 0.00 -1.52 0.00 0.00 31.29 31.05 3jz4 h VAL 204 CO 0.00 0.56 -0.77 0.12 0.02 0.00 0.00 177.57 177.50 3jz4 s PHE 205 N -4.09 1.02 -0.00 1.57 5.36 -1.26 -0.73 117.98 119.85 3jz4 s PHE 205 Ca -0.09 -0.66 0.07 0.00 -0.96 0.00 0.00 56.93 55.29 3jz4 s PHE 205 Cb 0.11 -1.00 -0.02 0.00 -0.34 0.00 0.00 43.02 41.77 3jz4 s PHE 205 CO 0.87 -0.52 -0.23 -0.80 -1.46 0.00 0.00 175.22 173.08 3jz4 s ASN 206 N 1.86 2.75 -0.19 6.13 0.01 -0.22 -4.82 114.94 120.46 3jz4 s ASN 206 Ca 0.01 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 3jz4 s ASN 206 Cb -0.15 -0.29 0.03 0.00 0.41 0.00 0.00 41.25 41.25 3jz4 s ASN 206 CO -0.07 0.27 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.95 3jz4 s VAL 207 N -0.60 1.87 -0.19 1.60 1.01 -0.35 -0.02 120.40 123.70 3jz4 s VAL 207 Ca 0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3jz4 s VAL 207 Cb -0.09 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 3jz4 s VAL 207 CO -0.00 0.35 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 3jz4 s VAL 208 N 1.33 2.93 -0.13 2.92 1.01 0.17 -1.65 120.40 126.98 3jz4 s VAL 208 Ca 0.01 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3jz4 s VAL 208 Cb -0.15 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3jz4 s VAL 208 CO -0.10 0.47 0.12 0.42 0.00 0.00 0.00 175.10 176.01 3jz4 s THR 209 N 1.22 5.34 -1.34 3.92 -4.23 -1.26 -4.07 115.64 115.21 3jz4 s THR 209 Ca 0.02 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3jz4 s THR 209 Cb -0.14 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.37 3jz4 s THR 209 CO -0.04 0.60 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 3jz4 n GLY 210 N 2.20 -1.01 3.77 3.99 0.00 -1.25 -0.85 105.19 112.04 3jz4 n GLY 210 Ca -0.19 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 3jz4 n GLY 210 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jz4 s SER 211 N -4.00 6.35 0.11 1.61 1.04 -1.24 -4.81 113.70 112.76 3jz4 s SER 211 Ca 0.00 2.37 -0.26 0.00 0.48 0.00 0.00 55.95 58.55 3jz4 s SER 211 Cb 0.00 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 3jz4 s SER 211 CO 0.00 -0.80 1.66 0.00 0.98 0.00 0.00 173.24 175.08 3jz4 h ALA 212 N 2.40 -0.31 0.34 5.32 0.00 -1.99 -1.76 119.26 123.26 3jz4 h ALA 212 Ca -0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3jz4 h ALA 212 Cb 1.24 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 3jz4 h ALA 212 CO 0.62 -0.72 -0.36 0.78 0.00 0.00 0.00 179.25 179.57 3jz4 h GLY 213 N -0.36 -0.84 1.00 0.00 0.00 -1.97 0.22 103.07 101.12 3jz4 h GLY 213 Ca 0.03 0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 3jz4 h GLY 213 CO -0.13 -0.30 0.41 0.00 0.00 0.00 0.00 176.54 176.52 3jz4 h ALA 214 N -0.28 0.87 0.01 3.60 0.00 -1.90 -0.49 119.26 121.08 3jz4 h ALA 214 Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3jz4 h ALA 214 Cb 0.67 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jz4 h ALA 214 CO -0.08 0.34 -0.12 0.28 0.00 0.00 0.00 179.25 179.68 3jz4 h VAL 215 N 0.92 1.66 -0.87 0.00 2.07 -1.31 -3.18 116.25 115.53 3jz4 h VAL 215 Ca 0.24 -2.09 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 3jz4 h VAL 215 Cb -0.03 3.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 3jz4 h VAL 215 CO -0.05 0.55 0.44 1.23 0.02 0.00 0.00 177.57 179.77 3jz4 h GLY 216 N -0.76 1.33 1.38 2.17 0.00 -0.52 -1.97 103.07 104.69 3jz4 h GLY 216 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3jz4 h GLY 216 CO 0.02 0.61 0.31 3.43 0.00 0.00 0.00 176.54 180.91 3jz4 h ASN 217 N 1.24 0.73 -0.14 0.19 2.35 -1.24 -1.00 115.58 117.70 3jz4 h ASN 217 Ca 0.30 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 3jz4 h ASN 217 Cb 0.08 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3jz4 h ASN 217 CO -0.04 0.60 -0.33 -0.08 -1.65 0.00 0.00 177.43 175.93 3jz4 h GLU 218 N 0.82 0.48 -0.56 0.81 4.57 -1.58 -2.12 114.58 117.00 3jz4 h GLU 218 Ca 0.21 -0.32 0.09 0.00 -1.18 0.00 0.00 59.36 58.16 3jz4 h GLU 218 Cb 0.05 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 3jz4 h GLU 218 CO -0.03 0.93 0.17 -0.07 -1.18 0.00 0.00 179.01 178.83 3jz4 h LEU 219 N 0.09 0.11 -0.01 1.64 3.38 -1.06 -1.44 115.31 118.02 3jz4 h LEU 219 Ca -0.00 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3jz4 h LEU 219 Cb 0.94 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3jz4 h LEU 219 CO 0.07 0.08 -0.24 0.71 0.09 0.00 0.00 178.44 179.16 3jz4 h THR 220 N 0.32 0.41 0.00 0.22 1.35 -1.20 -3.35 112.91 110.67 3jz4 h THR 220 Ca 0.28 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3jz4 h THR 220 Cb 0.37 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3jz4 h THR 220 CO -0.32 0.23 -1.75 -1.54 -0.25 0.00 0.00 175.52 171.89 3jz4 n SER 221 N -3.16 0.54 -4.64 5.36 3.41 -0.80 -4.49 113.62 109.83 3jz4 n SER 221 Ca 0.03 -0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.06 3jz4 n SER 221 Cb 0.63 1.76 -0.02 0.00 -0.26 0.00 0.00 64.21 66.32 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 -4.05 6.76 0.10 4.04 3.84 -0.55 -4.92 114.94 120.16 3jz4 s ASN 222 Ca -0.05 1.50 0.17 0.00 0.21 0.00 0.00 52.86 54.70 3jz4 s ASN 222 Cb 0.13 -2.54 0.74 0.00 -0.55 0.00 0.00 41.25 39.03 3jz4 s ASN 222 CO 0.82 -0.95 1.54 -0.81 -2.79 0.00 0.00 177.10 174.91 3jz4 n PRO 223 N 7.04 0.07 0.20 0.43 -0.04 -1.26 -1.89 135.00 139.55 3jz4 n PRO 223 Ca 0.15 0.33 0.05 0.00 -0.04 0.00 0.00 63.50 63.99 3jz4 n PRO 223 Cb 0.46 -1.65 0.41 0.00 -0.04 0.00 0.00 33.50 32.68 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 -9.04 1.53 3.38 -1.96 -3.41 115.31 105.81 3jz4 h LEU 224 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3jz4 h LEU 224 Cb 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3jz4 h LEU 224 CO 0.00 0.33 0.86 -0.69 0.09 0.00 0.00 178.44 179.03 3jz4 s VAL 225 N -4.10 4.47 -0.70 1.22 1.01 -0.79 -4.28 120.40 117.23 3jz4 s VAL 225 Ca -0.02 1.74 0.17 0.00 0.00 0.00 0.00 61.98 63.87 3jz4 s VAL 225 Cb 0.14 -4.25 -0.19 0.00 0.00 0.00 0.00 36.38 32.08 3jz4 s VAL 225 CO 0.70 -0.29 0.68 0.54 0.00 0.00 0.00 175.10 176.72 3jz4 n ARG 226 N 6.67 1.32 -3.73 2.72 1.74 -0.40 -4.91 116.66 120.06 3jz4 n ARG 226 Ca 0.13 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 3jz4 n ARG 226 Cb 0.46 -1.31 -0.12 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.67 0.30 -0.05 5.56 2.47 -1.23 -2.05 119.74 122.08 3jz4 s LYS 227 Ca 0.05 0.57 0.05 0.00 -1.56 0.00 0.00 55.97 55.07 3jz4 s LYS 227 Cb 0.13 -0.00 -0.00 0.00 -1.46 0.00 0.00 37.83 36.49 3jz4 s LYS 227 CO 0.70 -0.12 -0.20 -1.17 0.16 0.00 0.00 175.35 174.71 3jz4 s LEU 228 N 0.95 1.97 -0.10 5.43 2.96 -0.40 -0.61 118.68 128.88 3jz4 s LEU 228 Ca -0.06 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3jz4 s LEU 228 Cb -0.07 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.48 3jz4 s LEU 228 CO -0.07 0.18 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.36 3jz4 s SER 229 N 0.03 2.96 -0.02 3.68 0.15 -0.14 -0.49 113.70 119.87 3jz4 s SER 229 Ca -0.06 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.08 3jz4 s SER 229 Cb -0.13 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 3jz4 s SER 229 CO 0.03 0.14 -0.07 0.12 1.20 0.00 0.00 173.24 174.67 3jz4 s PHE 230 N 0.40 0.70 -0.11 3.44 5.36 -0.27 -1.15 117.98 126.35 3jz4 s PHE 230 Ca -0.18 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 3jz4 s PHE 230 Cb -0.18 -0.51 0.01 0.00 -0.34 0.00 0.00 43.02 42.01 3jz4 s PHE 230 CO 0.08 -0.06 -0.19 0.99 -1.46 0.00 0.00 175.22 174.58 3jz4 s THR 231 N 0.14 1.71 -3.81 0.12 2.01 -1.01 -1.19 115.64 113.61 3jz4 s THR 231 Ca -0.02 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3jz4 s THR 231 Cb -0.06 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.92 3jz4 s THR 231 CO -0.00 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 3jz4 n GLY 232 N 3.93 -0.55 3.78 4.40 0.00 -0.86 -3.51 105.19 112.39 3jz4 n GLY 232 Ca -0.20 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 5.81 0.23 1.61 1.04 -1.26 -3.61 113.70 113.51 3jz4 s SER 233 Ca 0.00 2.03 -0.08 0.00 0.48 0.00 0.00 55.95 58.38 3jz4 s SER 233 Cb 0.00 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.82 3jz4 s SER 233 CO 0.00 -1.15 1.86 0.74 0.98 0.00 0.00 173.24 175.67 3jz4 h THR 234 N 1.01 1.09 -0.73 2.02 2.02 -1.92 -1.51 112.91 114.87 3jz4 h THR 234 Ca -0.49 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 3jz4 h THR 234 Cb 1.24 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3jz4 h THR 234 CO 0.57 0.17 0.31 -0.08 0.37 0.00 0.00 175.52 176.86 3jz4 h GLU 235 N 0.95 1.08 -0.20 6.66 4.57 -1.98 -0.61 114.58 125.05 3jz4 h GLU 235 Ca 0.33 -0.19 -0.18 0.00 -1.18 0.00 0.00 59.36 58.15 3jz4 h GLU 235 Cb 0.07 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3jz4 h GLU 235 CO -0.14 0.88 -0.59 0.82 -1.18 0.00 0.00 179.01 178.80 3jz4 h ILE 236 N 1.04 1.31 -0.58 2.32 1.08 -1.89 -2.29 117.51 118.49 3jz4 h ILE 236 Ca 0.24 -1.83 0.11 0.00 -0.39 0.00 0.00 64.86 62.99 3jz4 h ILE 236 Cb 0.19 1.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.64 3jz4 h ILE 236 CO -0.02 0.58 0.12 1.23 -0.69 0.00 0.00 178.15 179.36 3jz4 h GLY 237 N 0.91 0.73 0.76 5.37 0.00 -0.93 0.15 103.07 110.06 3jz4 h GLY 237 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.32 3jz4 h GLY 237 CO 0.12 -0.11 -0.10 3.21 0.00 0.00 0.00 176.54 179.66 3jz4 h ARG 238 N 0.25 -0.18 -0.72 4.80 3.08 -0.85 -0.96 114.38 119.79 3jz4 h ARG 238 Ca 0.30 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3jz4 h ARG 238 Cb 0.45 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3jz4 h ARG 238 CO -0.39 -0.12 0.42 1.96 -1.07 0.00 0.00 179.97 180.76 3jz4 h GLN 239 N -0.18 0.99 -0.61 0.04 4.20 -0.98 -1.19 115.11 117.38 3jz4 h GLN 239 Ca 0.03 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 3jz4 h GLN 239 Cb 0.22 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3jz4 h GLN 239 CO -0.09 0.72 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.71 3jz4 h LEU 240 N 0.99 1.07 -0.43 1.46 3.38 -0.57 -1.53 115.31 119.68 3jz4 h LEU 240 Ca 0.26 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3jz4 h LEU 240 Cb 0.00 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3jz4 h LEU 240 CO -0.04 1.12 0.15 -0.03 0.09 0.00 0.00 178.44 179.72 3jz4 h MET 241 N 0.98 0.66 -0.34 1.13 4.05 -0.95 -1.31 114.93 119.16 3jz4 h MET 241 Ca 0.17 -0.13 0.06 0.00 -0.28 0.00 0.00 59.70 59.52 3jz4 h MET 241 Cb 0.58 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.22 3jz4 h MET 241 CO 0.03 0.63 -0.04 0.93 0.23 0.00 0.00 176.91 178.70 3jz4 h GLU 242 N 0.55 0.05 -0.22 0.39 5.08 -1.06 -2.50 114.58 116.88 3jz4 h GLU 242 Ca 0.14 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3jz4 h GLU 242 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3jz4 h GLU 242 CO -0.01 0.04 -0.06 1.96 -1.00 0.00 0.00 179.01 179.94 3jz4 h GLN 243 N 0.05 0.34 0.00 2.33 4.20 -1.03 -2.26 115.11 118.75 3jz4 h GLN 243 Ca 0.17 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3jz4 h GLN 243 Cb 0.24 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3jz4 h GLN 243 CO -0.31 0.42 0.00 0.00 -0.67 0.00 0.00 178.83 178.27 3jz4 h ALA 245 N 2.48 1.61 -0.57 0.00 0.00 -1.16 -2.07 119.26 119.55 3jz4 h ALA 245 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3jz4 h ALA 245 Cb 0.47 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3jz4 h ALA 245 CO 0.00 0.29 0.24 -0.22 0.00 0.00 0.00 179.25 179.56 3jz4 h LYS 246 N 0.30 0.43 -0.21 0.00 3.64 -1.75 -2.11 116.57 116.88 3jz4 h LYS 246 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3jz4 h LYS 246 Cb 0.21 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3jz4 h LYS 246 CO 0.00 0.28 0.00 -0.25 -2.27 0.00 0.00 179.45 177.22 3jz4 n ASP 247 N -4.95 2.99 -3.87 4.20 8.00 -1.16 -4.95 116.55 116.81 3jz4 n ASP 247 Ca 0.07 -1.94 -0.28 0.00 0.71 0.00 0.00 54.79 53.35 3jz4 n ASP 247 Cb 0.22 -0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.24 -2.65 -1.77 0.53 2.08 -0.79 -4.93 119.36 113.07 3jz4 n ILE 248 Ca 0.17 -0.15 -0.38 0.00 0.56 0.00 0.00 62.75 62.95 3jz4 n ILE 248 Cb 0.56 -3.04 0.05 0.00 -0.75 0.00 0.00 39.64 36.46 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 -6.47 2.98 0.03 0.38 1.02 -0.82 -4.98 119.74 111.89 3jz4 s LYS 249 Ca 0.48 2.19 -0.30 0.00 0.02 0.00 0.00 55.97 58.35 3jz4 s LYS 249 Cb -0.24 -2.14 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 3jz4 s LYS 249 CO 0.83 -1.30 1.28 0.21 -0.92 0.00 0.00 175.35 175.45 3jz4 s LYS 250 N -3.04 4.36 -0.11 1.68 2.20 -0.87 -4.91 119.74 119.05 3jz4 s LYS 250 Ca 0.75 1.85 0.03 0.00 -0.36 0.00 0.00 55.97 58.24 3jz4 s LYS 250 Cb -0.40 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.50 3jz4 s LYS 250 CO 0.46 -0.40 -0.21 0.08 -0.36 0.00 0.00 175.35 174.91 3jz4 s VAL 251 N 1.62 1.88 -0.10 4.02 1.01 -1.26 -1.27 120.40 126.29 3jz4 s VAL 251 Ca 0.60 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3jz4 s VAL 251 Cb -0.30 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3jz4 s VAL 251 CO 0.27 0.52 -0.03 -0.44 0.00 0.00 0.00 175.10 175.42 3jz4 s SER 252 N 0.59 4.95 -0.01 3.32 0.01 0.35 -4.74 113.70 118.18 3jz4 s SER 252 Ca -0.14 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.16 3jz4 s SER 252 Cb -0.17 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.63 3jz4 s SER 252 CO 0.04 0.32 0.01 -0.76 0.41 0.00 0.00 173.24 173.26 3jz4 s LEU 253 N -0.56 1.46 -0.24 2.44 1.43 -0.41 -1.11 118.68 121.69 3jz4 s LEU 253 Ca 0.09 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3jz4 s LEU 253 Cb -0.12 -0.10 0.06 0.00 0.03 0.00 0.00 46.19 46.06 3jz4 s LEU 253 CO 0.02 -0.07 -0.06 -1.61 0.23 0.00 0.00 176.35 174.86 3jz4 s GLU 254 N 0.62 1.70 0.00 1.70 0.41 -0.33 -0.77 118.70 122.03 3jz4 s GLU 254 Ca -0.06 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.46 3jz4 s GLU 254 Cb -0.08 -2.63 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 3jz4 s GLU 254 CO -0.02 -0.60 0.00 1.28 -0.49 0.00 0.00 175.26 175.44 3jz4 n LEU 255 N 4.64 0.00 -4.56 1.80 4.32 -0.22 -2.02 117.00 120.96 3jz4 n LEU 255 Ca -0.12 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.50 3jz4 n LEU 255 Cb 0.44 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.30 3jz4 n LEU 255 CO 0.18 0.00 0.36 0.61 -1.22 0.00 0.00 177.39 177.33 3jz4 n GLY 256 N 5.00 -0.79 3.11 -0.72 0.00 -1.24 -4.85 105.19 105.70 3jz4 n GLY 256 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.42 0.59 -0.43 -0.02 0.00 -1.26 -4.45 107.32 100.33 3jz4 s GLY 257 Ca 0.72 -1.27 0.06 0.00 0.00 0.00 0.00 44.72 44.23 3jz4 s GLY 257 CO 0.51 -1.34 0.49 -2.01 0.00 0.00 0.00 173.10 170.75 3jz4 n ASN 258 N 0.06 -1.00 -4.67 1.64 5.15 -1.26 -4.30 115.26 110.87 3jz4 n ASN 258 Ca -0.12 -2.60 -0.43 0.00 -0.60 0.00 0.00 54.58 50.83 3jz4 n ASN 258 Cb 0.61 -0.02 -0.02 0.00 -0.53 0.00 0.00 39.78 39.82 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 -0.05 3.60 0.26 5.20 0.00 -1.26 -4.81 121.76 124.70 3jz4 s ALA 259 Ca 0.33 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 3jz4 s ALA 259 Cb 0.08 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 3jz4 s ALA 259 CO -0.16 -1.04 0.93 -1.25 0.00 0.00 0.00 175.76 174.24 3jz4 s PRO 260 N 3.04 4.74 -0.24 0.00 0.04 -1.26 -0.37 135.00 140.95 3jz4 s PRO 260 Ca 0.56 1.40 0.01 0.00 0.04 0.00 0.00 61.00 63.01 3jz4 s PRO 260 Cb -0.24 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.26 3jz4 s PRO 260 CO 0.18 0.44 -0.03 0.12 0.04 0.00 0.00 177.00 177.75 3jz4 s PHE 261 N -1.33 2.38 -0.20 0.56 5.36 0.18 -1.12 117.98 123.81 3jz4 s PHE 261 Ca 0.44 -1.80 -0.04 0.00 -0.96 0.00 0.00 56.93 54.57 3jz4 s PHE 261 Cb -0.23 -1.65 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 3jz4 s PHE 261 CO 0.29 -0.79 -0.04 0.42 -1.46 0.00 0.00 175.22 173.64 3jz4 s ILE 262 N 1.40 3.59 -0.26 3.12 1.01 0.28 -0.18 121.20 130.16 3jz4 s ILE 262 Ca -0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 3jz4 s ILE 262 Cb -0.19 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3jz4 s ILE 262 CO -0.08 0.44 -0.03 -0.69 0.00 0.00 0.00 174.94 174.58 3jz4 s VAL 263 N 1.10 3.08 0.48 2.92 1.01 0.15 -0.20 120.40 128.95 3jz4 s VAL 263 Ca 0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3jz4 s VAL 263 Cb -0.15 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 3jz4 s VAL 263 CO 0.00 0.15 0.75 -0.36 0.00 0.00 0.00 175.10 175.64 3jz4 s PHE 264 N 1.35 3.39 0.47 5.22 0.40 -0.80 -1.01 117.98 126.99 3jz4 s PHE 264 Ca 0.00 0.55 0.27 0.00 -0.60 0.00 0.00 56.93 57.15 3jz4 s PHE 264 Cb -0.17 -2.35 1.31 0.00 0.51 0.00 0.00 43.02 42.32 3jz4 s PHE 264 CO -0.03 -0.38 1.79 0.38 0.70 0.00 0.00 175.22 177.69 3jz4 h ASP 265 N 0.25 0.24 -0.63 1.36 3.04 -1.88 -1.14 116.42 117.65 3jz4 h ASP 265 Ca -0.47 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 3jz4 h ASP 265 Cb 1.23 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3jz4 h ASP 265 CO 0.60 0.04 0.00 -0.90 -2.04 0.00 0.00 179.24 176.94 3jz4 n ASP 266 N -4.43 3.90 -4.79 4.15 5.75 -1.26 -4.92 116.55 114.96 3jz4 n ASP 266 Ca 0.25 -2.18 -0.33 0.00 -0.01 0.00 0.00 54.79 52.52 3jz4 n ASP 266 Cb 1.03 -0.49 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 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 -1.43 2.68 -0.54 2.12 0.00 -0.43 -3.76 121.76 120.40 3jz4 s ALA 267 Ca 0.45 0.51 -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 0.27 -0.86 1.54 0.34 0.00 0.00 0.00 175.76 177.05 3jz4 s ASP 268 N -2.51 5.96 0.22 0.00 -1.08 -1.26 -4.92 116.67 113.08 3jz4 s ASP 268 Ca 0.66 0.43 -0.06 0.00 -0.52 0.00 0.00 52.55 53.06 3jz4 s ASP 268 Cb -0.18 -2.54 0.19 0.00 -1.46 0.00 0.00 42.92 38.93 3jz4 s ASP 268 CO 0.35 -1.82 1.76 -0.07 0.52 0.00 0.00 175.17 175.91 3jz4 h LEU 269 N 13.71 1.02 -0.69 -1.34 3.38 -1.95 -0.00 115.31 129.44 3jz4 h LEU 269 Ca -0.28 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 3jz4 h LEU 269 Cb 1.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3jz4 h LEU 269 CO 1.16 0.96 0.25 0.44 0.09 0.00 0.00 178.44 181.34 3jz4 h ASP 270 N 1.05 0.98 -0.59 -0.43 3.32 -1.99 -0.31 116.42 118.44 3jz4 h ASP 270 Ca 0.23 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3jz4 h ASP 270 Cb 0.31 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3jz4 h ASP 270 CO -0.01 0.91 0.06 0.11 -1.72 0.00 0.00 179.24 178.59 3jz4 h LYS 271 N 1.00 1.00 -0.44 3.56 1.57 -1.91 -1.80 116.57 119.55 3jz4 h LYS 271 Ca 0.23 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3jz4 h LYS 271 Cb 0.25 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3jz4 h LYS 271 CO -0.01 0.96 0.28 0.00 -0.57 0.00 0.00 179.45 180.11 3jz4 h ALA 272 N 1.00 0.56 -0.20 3.86 0.00 -0.69 0.06 119.26 123.86 3jz4 h ALA 272 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3jz4 h ALA 272 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3jz4 h ALA 272 CO 0.02 -0.02 0.13 0.28 0.00 0.00 0.00 179.25 179.66 3jz4 h VAL 273 N 0.57 1.06 -0.28 0.00 2.07 -0.98 0.86 116.25 119.55 3jz4 h VAL 273 Ca 0.17 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3jz4 h VAL 273 Cb -0.03 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3jz4 h VAL 273 CO -0.05 0.06 -0.05 -0.33 0.02 0.00 0.00 177.57 177.21 3jz4 h GLU 274 N 0.26 0.02 -0.82 1.57 5.08 -1.13 -0.08 114.58 119.47 3jz4 h GLU 274 Ca 0.07 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3jz4 h GLU 274 Cb -0.01 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3jz4 h GLU 274 CO -0.01 0.01 0.44 0.78 -1.00 0.00 0.00 179.01 179.23 3jz4 h GLY 275 N 0.02 1.22 1.05 -3.84 0.00 -0.70 -1.43 103.07 99.39 3jz4 h GLY 275 Ca 0.13 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 3jz4 h GLY 275 CO -0.27 0.53 -0.14 0.00 0.00 0.00 0.00 176.54 176.66 3jz4 h ALA 276 N 1.34 0.65 -0.25 3.60 0.00 -0.37 -0.67 119.26 123.56 3jz4 h ALA 276 Ca 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3jz4 h ALA 276 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3jz4 h ALA 276 CO -0.05 0.57 0.09 1.25 0.00 0.00 0.00 179.25 181.12 3jz4 h LEU 277 N 0.77 0.35 -0.84 0.00 5.85 -0.77 -0.83 115.31 119.83 3jz4 h LEU 277 Ca 0.12 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3jz4 h LEU 277 Cb 0.69 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3jz4 h LEU 277 CO 0.05 0.43 0.10 0.00 -0.34 0.00 0.00 178.44 178.68 3jz4 h ALA 278 N 0.93 1.05 0.12 1.25 0.00 -1.20 -2.23 119.26 119.18 3jz4 h ALA 278 Ca 0.08 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 3jz4 h ALA 278 Cb 0.20 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.78 3jz4 h ALA 278 CO -0.01 0.61 -1.10 1.03 0.00 0.00 0.00 179.25 179.79 3jz4 h SER 279 N 0.91 0.75 0.08 0.00 0.87 -1.01 -3.15 113.55 112.00 3jz4 h SER 279 Ca 0.19 -0.85 -0.15 0.00 -1.23 0.00 0.00 61.79 59.74 3jz4 h SER 279 Cb 0.40 -0.24 0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3jz4 h SER 279 CO 0.01 1.53 -0.65 0.50 -0.53 0.00 0.00 176.83 177.69 3jz4 h LYS 280 N 0.08 0.30 -0.13 2.24 1.63 -1.19 -3.21 116.57 116.29 3jz4 h LYS 280 Ca -0.17 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 3jz4 h LYS 280 Cb 1.81 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.58 3jz4 h LYS 280 CO 0.21 1.16 0.00 1.19 -3.45 0.00 0.00 179.45 178.56 3jz4 n PHE 281 N -4.22 0.13 -1.86 1.91 3.72 -0.84 -3.03 117.46 113.27 3jz4 n PHE 281 Ca -0.12 -0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 3jz4 n PHE 281 Cb 0.73 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.25 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 -1.87 4.18 -1.45 -1.08 3.52 -1.19 -1.93 118.95 119.13 3jz4 s ARG 282 Ca 0.31 2.47 -0.11 0.00 -0.13 0.00 0.00 55.73 58.28 3jz4 s ARG 282 Cb 0.21 -3.07 0.07 0.00 -1.56 0.00 0.00 34.95 30.60 3jz4 s ARG 282 CO 0.31 -0.57 0.72 -1.71 -0.81 0.00 0.00 175.30 173.24 3jz4 n ASN 283 N 2.54 -4.61 -2.64 -2.12 5.15 -1.26 -1.21 115.26 111.10 3jz4 n ASN 283 Ca 0.09 -0.54 -0.15 0.00 -0.60 0.00 0.00 54.58 53.38 3jz4 n ASN 283 Cb 0.38 -3.73 -0.00 0.00 -0.53 0.00 0.00 39.78 35.90 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 -4.03 -0.84 -0.90 5.20 0.00 -0.81 -1.35 120.51 117.77 3jz4 n ALA 284 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3jz4 n ALA 284 Cb 0.55 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.91 0.64 2.62 0.00 0.00 -0.35 -2.27 105.19 104.92 3jz4 n GLY 285 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.70 4.40 -4.34 1.61 6.02 -0.46 -2.48 117.38 119.44 3jz4 n GLN 286 Ca 0.00 -3.84 -0.18 0.00 -0.01 0.00 0.00 57.00 52.97 3jz4 n GLN 286 Cb 0.00 -2.45 -0.14 0.00 1.02 0.00 0.00 30.24 28.67 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 -3.22 0.78 -0.55 5.09 2.01 -1.26 -4.85 115.64 113.64 3jz4 s THR 287 Ca 0.48 -0.57 0.24 0.00 0.31 0.00 0.00 61.69 62.15 3jz4 s THR 287 Cb 0.25 -0.68 0.26 0.00 0.01 0.00 0.00 72.50 72.33 3jz4 s THR 287 CO -0.18 0.11 1.73 0.00 -0.69 0.00 0.00 174.62 175.59 3jz4 n VAL 289 N -2.23 0.48 -1.71 0.00 0.24 -1.26 -4.18 118.33 109.67 3jz4 n VAL 289 Ca 0.03 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.34 61.16 3jz4 n VAL 289 Cb 0.28 0.82 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 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 0.39 0.98 -0.00 0.00 0.00 -1.21 -3.99 120.51 116.68 3jz4 n ALA 291 Ca 0.04 0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.88 3jz4 n ALA 291 Cb 0.36 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 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 4.79 4.12 -3.71 0.00 5.15 0.50 -4.66 115.26 121.46 3jz4 n ASN 292 Ca 0.20 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.97 3jz4 n ASN 292 Cb 0.28 1.17 -0.18 0.00 -0.53 0.00 0.00 39.78 40.52 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 0.16 -0.43 1.20 0.52 -0.68 -4.04 118.95 113.40 3jz4 s ARG 293 Ca -0.01 0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 55.35 3jz4 s ARG 293 Cb 0.02 -0.65 0.07 0.00 0.52 0.00 0.00 34.95 34.91 3jz4 s ARG 293 CO 0.16 -0.31 0.30 -0.51 0.02 0.00 0.00 175.30 174.97 3jz4 s LEU 294 N 2.03 5.27 -0.32 2.53 1.02 -0.35 0.47 118.68 129.33 3jz4 s LEU 294 Ca 0.04 -1.34 -0.13 0.00 0.02 0.00 0.00 54.13 52.72 3jz4 s LEU 294 Cb -0.12 -2.07 -0.03 0.00 0.02 0.00 0.00 46.19 43.99 3jz4 s LEU 294 CO -0.04 -0.55 0.25 -0.31 0.02 0.00 0.00 176.35 175.72 3jz4 s TYR 295 N 1.54 3.22 -0.10 0.29 2.02 0.75 0.92 117.35 125.99 3jz4 s TYR 295 Ca 0.03 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.70 3jz4 s TYR 295 Cb -0.23 -2.48 0.01 0.00 -0.40 0.00 0.00 41.96 38.86 3jz4 s TYR 295 CO 0.05 -0.30 -0.18 0.08 -1.57 0.00 0.00 175.55 173.63 3jz4 s VAL 296 N 1.79 1.63 0.45 0.71 1.01 0.85 0.35 120.40 127.18 3jz4 s VAL 296 Ca 0.08 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 3jz4 s VAL 296 Cb -0.17 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 3jz4 s VAL 296 CO 0.11 0.47 1.29 -1.58 0.00 0.00 0.00 175.10 175.38 3jz4 s GLN 297 N 0.71 3.72 0.29 2.72 0.74 -0.18 -2.30 119.66 125.34 3jz4 s GLN 297 Ca -0.12 2.09 -0.05 0.00 0.05 0.00 0.00 55.36 57.33 3jz4 s GLN 297 Cb -0.16 -2.55 0.56 0.00 1.10 0.00 0.00 33.01 31.96 3jz4 s GLN 297 CO 0.03 -0.68 1.57 0.22 -0.55 0.00 0.00 175.29 175.88 3jz4 h ASP 298 N 2.23 -0.71 0.05 6.67 3.58 -1.19 -0.00 116.42 127.04 3jz4 h ASP 298 Ca -0.50 0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.23 3jz4 h ASP 298 Cb 1.26 0.54 -0.00 0.00 1.72 0.00 0.00 39.33 42.85 3jz4 h ASP 298 CO 0.61 -0.33 -0.02 1.23 -2.88 0.00 0.00 179.24 177.85 3jz4 h GLY 299 N 0.01 0.00 0.00 -0.78 0.00 -1.91 -3.09 103.07 97.30 3jz4 h GLY 299 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3jz4 h GLY 299 CO -0.95 0.00 0.00 3.33 0.00 0.00 0.00 176.54 178.92 3jz4 n VAL 300 N -3.96 0.18 -0.08 4.60 0.24 -0.12 -4.83 118.33 114.37 3jz4 n VAL 300 Ca -0.03 -0.55 -0.08 0.00 -2.04 0.00 0.00 64.34 61.64 3jz4 n VAL 300 Cb 0.11 0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 33.43 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 -0.75 -0.25 6.34 3.20 -1.18 -0.60 116.97 123.74 3jz4 h TYR 301 Ca 0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3jz4 h TYR 301 Cb 0.14 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3jz4 h TYR 301 CO 0.00 -0.35 0.00 -0.44 -1.64 0.00 0.00 178.16 175.73 3jz4 h ASP 302 N -0.25 0.43 -0.78 -2.11 3.32 -1.88 -1.39 116.42 113.76 3jz4 h ASP 302 Ca 0.16 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3jz4 h ASP 302 Cb 0.50 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3jz4 h ASP 302 CO -0.46 0.63 0.35 0.03 -1.72 0.00 0.00 179.24 178.07 3jz4 h ARG 303 N 0.21 1.15 -0.38 3.56 3.08 -1.87 -1.68 114.38 118.45 3jz4 h ARG 303 Ca 0.07 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3jz4 h ARG 303 Cb 0.41 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3jz4 h ARG 303 CO 0.01 0.91 0.10 0.35 -1.07 0.00 0.00 179.97 180.27 3jz4 h PHE 304 N 1.12 0.62 -0.67 3.04 3.57 -0.99 -1.60 116.94 122.03 3jz4 h PHE 304 Ca 0.27 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3jz4 h PHE 304 Cb 0.16 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3jz4 h PHE 304 CO 0.02 0.60 0.36 0.00 -2.23 0.00 0.00 178.31 177.05 3jz4 h ALA 305 N 0.95 0.86 -0.36 2.41 0.00 -1.03 0.23 119.26 122.32 3jz4 h ALA 305 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3jz4 h ALA 305 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3jz4 h ALA 305 CO -0.00 0.39 0.17 1.49 0.00 0.00 0.00 179.25 181.30 3jz4 h GLU 306 N 0.92 0.52 -0.48 0.00 4.22 -1.25 -1.63 114.58 116.88 3jz4 h GLU 306 Ca 0.23 -0.08 -0.11 0.00 0.08 0.00 0.00 59.36 59.49 3jz4 h GLU 306 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3jz4 h GLU 306 CO -0.04 0.46 -0.14 0.87 -2.18 0.00 0.00 179.01 177.99 3jz4 h LYS 307 N 0.44 0.95 -0.66 1.92 1.57 -0.70 -1.37 116.57 118.73 3jz4 h LYS 307 Ca 0.12 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 3jz4 h LYS 307 Cb 0.12 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3jz4 h LYS 307 CO -0.02 1.04 0.33 1.25 -0.57 0.00 0.00 179.45 181.49 3jz4 h LEU 308 N 0.80 0.85 -0.77 2.94 5.85 -0.49 -1.43 115.31 123.06 3jz4 h LEU 308 Ca 0.12 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3jz4 h LEU 308 Cb 0.70 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3jz4 h LEU 308 CO 0.05 0.73 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.25 3jz4 h GLN 309 N 0.91 0.90 -0.30 1.25 4.15 -1.07 -0.71 115.11 120.24 3jz4 h GLN 309 Ca 0.23 -0.27 0.02 0.00 0.77 0.00 0.00 58.65 59.39 3jz4 h GLN 309 Cb 0.09 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3jz4 h GLN 309 CO -0.03 0.91 0.15 1.96 -1.93 0.00 0.00 178.83 179.89 3jz4 h GLN 310 N 0.83 0.30 -0.17 1.69 7.50 -0.94 -2.73 115.11 121.59 3jz4 h GLN 310 Ca 0.15 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.20 3jz4 h GLN 310 Cb 0.53 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 3jz4 h GLN 310 CO 0.03 0.20 -0.26 0.00 -1.50 0.00 0.00 178.83 177.30 3jz4 h ALA 311 N 1.15 1.24 0.01 3.87 0.00 -0.86 -3.12 119.26 121.56 3jz4 h ALA 311 Ca 0.12 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 3jz4 h ALA 311 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3jz4 h ALA 311 CO -0.09 0.50 -0.93 0.52 0.00 0.00 0.00 179.25 179.26 3jz4 h MET 312 N 0.28 0.27 0.00 0.00 2.07 -1.07 -3.11 114.93 113.38 3jz4 h MET 312 Ca 0.04 -0.31 0.00 0.00 -2.07 0.00 0.00 59.70 57.36 3jz4 h MET 312 Cb 0.62 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.44 3jz4 h MET 312 CO 0.04 1.03 0.02 0.66 1.07 0.00 0.00 176.91 179.73 3jz4 h SER 313 N 0.15 0.00 1.75 1.22 4.64 -1.41 0.24 113.55 120.13 3jz4 h SER 313 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3jz4 h SER 313 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3jz4 h SER 313 CO 0.15 0.00 -0.04 0.11 -0.87 0.00 0.00 176.83 176.18 3jz4 h LYS 314 N 0.00 0.00 -6.73 4.77 1.57 -1.65 -3.46 116.57 111.06 3jz4 h LYS 314 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3jz4 h LYS 314 Cb 0.04 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.44 3jz4 h LYS 314 CO 0.00 0.00 0.66 1.28 -0.57 0.00 0.00 179.45 180.82 3jz4 n LEU 315 N -2.75 3.74 -4.10 2.94 4.77 0.07 -5.00 117.00 116.67 3jz4 n LEU 315 Ca 0.04 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.89 3jz4 n LEU 315 Cb 0.49 -1.51 -0.16 0.00 -2.33 0.00 0.00 43.42 39.91 3jz4 n LEU 315 CO 0.33 -0.27 -0.52 -1.00 -1.33 0.00 0.00 177.39 174.60 3jz4 s HIS 316 N -0.54 2.39 -0.12 -1.77 3.76 -1.26 -5.00 115.29 112.75 3jz4 s HIS 316 Ca 0.61 -1.24 -0.07 0.00 -0.15 0.00 0.00 55.06 54.21 3jz4 s HIS 316 Cb -0.57 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 3jz4 s HIS 316 CO 0.56 -0.61 0.13 0.42 -0.85 0.00 0.00 174.74 174.38 3jz4 s ILE 317 N 1.05 5.39 -2.73 0.60 1.09 -1.26 -0.28 121.20 125.06 3jz4 s ILE 317 Ca -0.03 0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.68 3jz4 s ILE 317 Cb -0.14 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.91 3jz4 s ILE 317 CO -0.05 0.61 0.00 0.61 -0.10 0.00 0.00 174.94 176.02 3jz4 n GLY 318 N 2.03 -1.15 3.71 6.18 0.00 -0.69 -4.95 105.19 110.31 3jz4 n GLY 318 Ca -0.20 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 6.61 0.29 1.61 -1.08 -1.26 -4.27 116.67 114.57 3jz4 s ASP 319 Ca 0.00 2.53 0.20 0.00 -0.52 0.00 0.00 52.55 54.76 3jz4 s ASP 319 Cb 0.00 -2.58 1.05 0.00 -1.46 0.00 0.00 42.92 39.93 3jz4 s ASP 319 CO 0.00 -0.84 1.60 0.61 0.52 0.00 0.00 175.17 177.07 3jz4 n GLY 320 N 3.83 -0.86 0.01 2.66 0.00 -1.26 -1.51 105.19 108.06 3jz4 n GLY 320 Ca 0.14 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.18 0.31 -4.86 0.99 4.77 -1.26 -1.15 117.00 113.61 3jz4 n LEU 321 Ca -0.01 0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 3jz4 n LEU 321 Cb 0.04 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 3jz4 n LEU 321 CO 0.09 0.05 0.23 -1.81 -1.33 0.00 0.00 177.39 174.63 3jz4 s ASP 322 N -3.11 6.72 0.27 -1.43 1.01 -0.57 -4.97 116.67 114.58 3jz4 s ASP 322 Ca 0.12 1.01 -0.31 0.00 0.71 0.00 0.00 52.55 54.08 3jz4 s ASP 322 Cb 0.18 -2.26 -0.12 0.00 1.01 0.00 0.00 42.92 41.72 3jz4 s ASP 322 CO 0.62 -0.01 1.52 0.59 0.21 0.00 0.00 175.17 178.11 3jz4 n ASN 323 N 0.24 3.40 0.00 0.27 3.02 -1.26 -2.78 115.26 118.15 3jz4 n ASN 323 Ca -0.02 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 3jz4 n ASN 323 Cb 0.52 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 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 2.23 1.25 3.70 7.41 0.00 -1.26 -4.98 105.19 113.54 3jz4 n GLY 324 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.71 3.50 0.00 1.61 1.01 -1.12 -4.68 120.40 117.01 3jz4 s VAL 325 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3jz4 s VAL 325 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3jz4 s VAL 325 CO 0.00 0.05 0.00 0.35 0.00 0.00 0.00 175.10 175.50 3jz4 n THR 326 N 4.23 0.00 -3.96 3.92 -2.24 0.05 -4.77 114.28 111.51 3jz4 n THR 326 Ca 0.12 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 3jz4 n THR 326 Cb 0.43 0.98 -0.17 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.95 1.34 0.09 2.28 -1.09 0.62 -4.82 121.20 118.67 3jz4 s ILE 327 Ca 0.00 -0.59 -0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3jz4 s ILE 327 Cb 0.00 -1.36 0.02 0.00 -1.58 0.00 0.00 42.46 39.54 3jz4 s ILE 327 CO 0.00 0.33 0.12 0.61 -1.23 0.00 0.00 174.94 174.77 3jz4 n GLY 328 N 4.83 0.67 3.84 6.18 0.00 -1.26 -1.71 105.19 117.74 3jz4 n GLY 328 Ca -0.14 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.74 2.34 0.80 1.61 0.04 -1.26 -4.80 135.00 130.99 3jz4 s PRO 329 Ca 0.08 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.53 3jz4 s PRO 329 Cb -0.00 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.65 3jz4 s PRO 329 CO 0.05 -1.41 1.12 -0.51 0.04 0.00 0.00 177.00 176.29 3jz4 s LEU 330 N -5.61 2.51 0.29 -3.56 1.43 0.08 -4.77 118.68 109.05 3jz4 s LEU 330 Ca 0.60 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.81 3jz4 s LEU 330 Cb -0.13 -3.65 0.43 0.00 0.03 0.00 0.00 46.19 42.87 3jz4 s LEU 330 CO 0.53 -1.94 1.73 -0.29 0.23 0.00 0.00 176.35 176.61 3jz4 h ILE 331 N -1.08 1.26 -2.73 -0.59 6.09 -1.87 -3.45 117.51 115.14 3jz4 h ILE 331 Ca -0.47 -1.24 0.10 0.00 -1.37 0.00 0.00 64.86 61.87 3jz4 h ILE 331 Cb 1.29 1.34 -0.04 0.00 0.47 0.00 0.00 36.82 39.88 3jz4 h ILE 331 CO 0.62 0.39 0.37 1.51 -3.07 0.00 0.00 178.15 177.98 3jz4 s ASP 332 N -6.81 -0.13 0.54 2.19 1.47 -1.26 -4.81 116.67 107.85 3jz4 s ASP 332 Ca -0.07 -0.68 0.21 0.00 1.18 0.00 0.00 52.55 53.19 3jz4 s ASP 332 Cb 0.14 0.65 1.45 0.00 -0.34 0.00 0.00 42.92 44.82 3jz4 s ASP 332 CO 0.79 -1.24 2.18 1.05 0.68 0.00 0.00 175.17 178.62 3jz4 h GLU 333 N 2.00 0.00 -0.01 2.11 -0.00 -1.91 -1.05 114.58 115.72 3jz4 h GLU 333 Ca -0.25 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 58.96 3jz4 h GLU 333 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.97 3jz4 h GLU 333 CO 0.30 0.00 -0.70 0.87 -0.00 0.00 0.00 179.01 179.48 3jz4 h LYS 334 N 0.00 0.05 -0.17 1.06 1.57 -1.98 -0.55 116.57 116.55 3jz4 h LYS 334 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3jz4 h LYS 334 Cb 0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3jz4 h LYS 334 CO -0.00 0.73 0.10 0.00 -0.57 0.00 0.00 179.45 179.71 3jz4 h ALA 335 N 1.26 0.21 -0.27 3.86 0.00 -1.60 -1.46 119.26 121.26 3jz4 h ALA 335 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3jz4 h ALA 335 Cb 1.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3jz4 h ALA 335 CO 0.09 -0.32 0.14 0.28 0.00 0.00 0.00 179.25 179.44 3jz4 h VAL 336 N 0.21 1.00 -0.89 0.00 2.07 -1.29 -2.53 116.25 114.81 3jz4 h VAL 336 Ca 0.06 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.59 3jz4 h VAL 336 Cb -0.01 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 3jz4 h VAL 336 CO -0.03 0.05 0.52 0.00 0.02 0.00 0.00 177.57 178.14 3jz4 h ALA 337 N 1.13 1.30 -0.27 1.67 0.00 -0.87 0.07 119.26 122.30 3jz4 h ALA 337 Ca 0.11 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3jz4 h ALA 337 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3jz4 h ALA 337 CO -0.07 0.12 0.01 -0.22 0.00 0.00 0.00 179.25 179.09 3jz4 h LYS 338 N 0.84 0.47 -0.42 0.00 3.64 -0.95 0.05 116.57 120.21 3jz4 h LYS 338 Ca 0.44 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3jz4 h LYS 338 Cb 0.44 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3jz4 h LYS 338 CO -0.27 0.62 0.23 0.28 -2.27 0.00 0.00 179.45 178.04 3jz4 h VAL 339 N 0.26 1.01 -0.85 2.00 2.07 -0.95 -0.07 116.25 119.73 3jz4 h VAL 339 Ca 0.08 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3jz4 h VAL 339 Cb 0.40 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3jz4 h VAL 339 CO 0.01 0.08 0.54 -0.33 0.02 0.00 0.00 177.57 177.90 3jz4 h GLU 340 N 0.46 1.01 -0.15 1.57 5.08 -0.90 -1.37 114.58 120.28 3jz4 h GLU 340 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3jz4 h GLU 340 Cb 0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3jz4 h GLU 340 CO -0.10 0.67 0.07 1.49 -1.00 0.00 0.00 179.01 180.14 3jz4 h GLU 341 N 1.04 0.21 -0.96 2.33 4.57 -0.29 -0.43 114.58 121.05 3jz4 h GLU 341 Ca 0.35 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.52 3jz4 h GLU 341 Cb 0.05 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 3jz4 h GLU 341 CO -0.13 0.28 0.63 0.45 -1.18 0.00 0.00 179.01 179.06 3jz4 h HIS 342 N 0.10 1.19 0.31 0.92 3.86 -0.69 0.37 115.15 121.21 3jz4 h HIS 342 Ca 0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3jz4 h HIS 342 Cb 0.14 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.21 3jz4 h HIS 342 CO -0.02 0.72 -0.15 0.82 0.86 0.00 0.00 177.93 180.15 3jz4 h ILE 343 N 1.25 0.71 -0.79 2.45 2.04 -1.15 -2.19 117.51 119.84 3jz4 h ILE 343 Ca 0.37 -0.41 0.15 0.00 1.00 0.00 0.00 64.86 65.97 3jz4 h ILE 343 Cb -0.07 0.93 -0.10 0.00 -0.74 0.00 0.00 36.82 36.84 3jz4 h ILE 343 CO -0.10 0.08 0.34 0.00 0.00 0.00 0.00 178.15 178.47 3jz4 h ALA 344 N -0.04 1.15 0.01 1.87 0.00 -0.77 -1.05 119.26 120.43 3jz4 h ALA 344 Ca -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3jz4 h ALA 344 Cb 0.46 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3jz4 h ALA 344 CO 0.07 -0.21 -0.01 0.22 0.00 0.00 0.00 179.25 179.33 3jz4 h ASP 345 N 0.47 -0.02 -0.86 0.00 1.82 -0.91 -1.88 116.42 115.04 3jz4 h ASP 345 Ca 0.44 -0.21 0.02 0.00 -0.39 0.00 0.00 57.03 56.90 3jz4 h ASP 345 Cb 0.69 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.65 3jz4 h ASP 345 CO -0.41 0.20 0.56 0.00 -1.61 0.00 0.00 179.24 177.98 3jz4 h ALA 346 N 0.75 1.12 -0.20 -0.78 0.00 -0.84 -2.12 119.26 117.19 3jz4 h ALA 346 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3jz4 h ALA 346 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3jz4 h ALA 346 CO 0.00 0.44 0.08 -0.07 0.00 0.00 0.00 179.25 179.71 3jz4 h LEU 347 N 1.12 0.28 -1.91 0.00 4.07 -1.16 0.22 115.31 117.93 3jz4 h LEU 347 Ca 0.33 -0.16 0.11 0.00 0.08 0.00 0.00 57.88 58.24 3jz4 h LEU 347 Cb -0.05 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 3jz4 h LEU 347 CO -0.10 0.36 0.32 -0.08 -1.08 0.00 0.00 178.44 177.87 3jz4 h GLU 348 N 0.18 0.10 -0.39 1.13 4.81 -1.22 -0.09 114.58 119.09 3jz4 h GLU 348 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3jz4 h GLU 348 Cb 0.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3jz4 h GLU 348 CO -0.01 0.06 0.00 1.63 -0.73 0.00 0.00 179.01 179.97 3jz4 n LYS 349 N -4.43 1.97 -0.17 1.92 5.02 -0.81 -4.92 118.16 116.74 3jz4 n LYS 349 Ca 0.07 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.86 3jz4 n LYS 349 Cb 0.46 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.19 0.90 3.89 0.72 0.00 -0.05 -4.70 105.19 107.14 3jz4 n GLY 350 Ca 0.15 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.00 -0.05 4.61 0.00 0.02 -4.80 121.76 122.54 3jz4 s ALA 351 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.55 3jz4 s ALA 351 Cb 0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 3jz4 s ALA 351 CO 0.00 -1.07 -0.23 0.50 0.00 0.00 0.00 175.76 174.97 3jz4 s ARG 352 N -5.26 2.20 -0.20 0.00 3.52 0.41 -4.56 118.95 115.05 3jz4 s ARG 352 Ca 0.57 -0.81 -0.26 0.00 -0.13 0.00 0.00 55.73 55.10 3jz4 s ARG 352 Cb -0.11 -1.93 -0.01 0.00 -1.56 0.00 0.00 34.95 31.35 3jz4 s ARG 352 CO 0.50 0.37 0.87 0.08 -0.81 0.00 0.00 175.30 176.30 3jz4 s VAL 353 N -0.19 4.83 -0.16 7.11 1.01 -1.26 -1.43 120.40 130.31 3jz4 s VAL 353 Ca -0.01 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.69 3jz4 s VAL 353 Cb -0.12 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 3jz4 s VAL 353 CO 0.02 -0.04 0.19 0.52 0.00 0.00 0.00 175.10 175.79 3jz4 n VAL 354 N 5.02 1.58 -3.58 2.92 0.31 -0.76 -5.00 118.33 118.82 3jz4 n VAL 354 Ca 0.06 -0.70 -0.10 0.00 -0.01 0.00 0.00 64.34 63.59 3jz4 n VAL 354 Cb 0.48 -1.25 -0.02 0.00 -0.91 0.00 0.00 33.84 32.13 3jz4 n VAL 354 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3jz4 n GLY 356 N -0.39 2.30 0.00 0.00 0.00 -1.22 -1.54 105.19 104.35 3jz4 n GLY 356 Ca -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 2.35 1.56 -0.02 0.00 -1.26 -4.95 105.19 102.87 3jz4 n GLY 357 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3jz4 n GLY 357 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3jz4 n LYS 358 N -0.24 0.38 -2.33 1.61 2.85 -1.26 -5.03 118.16 114.14 3jz4 n LYS 358 Ca 0.00 -1.16 -0.41 0.00 -1.05 0.00 0.00 58.31 55.68 3jz4 n LYS 358 Cb 0.00 1.21 -0.03 0.00 -0.65 0.00 0.00 35.03 35.56 3jz4 n LYS 358 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3jz4 s ALA 359 N -1.90 3.46 0.81 0.58 0.00 -1.26 -1.91 121.76 121.53 3jz4 s ALA 359 Ca 0.11 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 3jz4 s ALA 359 Cb -0.01 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.72 3jz4 s ALA 359 CO 0.08 -0.42 0.92 1.58 0.00 0.00 0.00 175.76 177.92 3jz4 n HIS 360 N 2.57 0.37 -0.15 0.00 -0.00 -0.99 -4.81 115.22 112.22 3jz4 n HIS 360 Ca 0.05 0.37 0.13 0.00 0.46 0.00 0.00 57.72 58.73 3jz4 n HIS 360 Cb 0.44 -2.01 0.47 0.00 -0.12 0.00 0.00 29.99 28.77 3jz4 n HIS 360 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 3jz4 h GLU 361 N -0.88 0.47 -0.16 1.57 4.22 -1.95 -0.81 114.58 117.03 3jz4 h GLU 361 Ca -0.46 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.00 3jz4 h GLU 361 Cb 1.31 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3jz4 h GLU 361 CO 0.43 0.31 0.13 0.00 -2.18 0.00 0.00 179.01 177.70 3jz4 h ARG 362 N 0.48 0.00 0.00 1.92 3.08 -1.94 -3.48 114.38 114.44 3jz4 h ARG 362 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3jz4 h ARG 362 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3jz4 h ARG 362 CO -0.11 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.20 3jz4 n GLY 363 N -1.53 -0.09 7.00 0.04 0.00 -0.31 -4.96 105.19 105.34 3jz4 n GLY 363 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 3.70 1.09 -0.02 0.00 -1.26 -1.84 105.19 106.86 3jz4 n GLY 364 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 7.50 3.21 -4.77 1.61 3.02 -1.26 -4.89 115.26 119.68 3jz4 n ASN 365 Ca 0.00 -1.96 -0.39 0.00 -0.03 0.00 0.00 54.58 52.20 3jz4 n ASN 365 Cb 0.00 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.42 3.80 0.03 3.10 0.40 -0.77 -0.74 117.98 122.39 3jz4 s PHE 366 Ca 0.39 1.46 0.03 0.00 -0.60 0.00 0.00 56.93 58.21 3jz4 s PHE 366 Cb 0.22 -2.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.01 3jz4 s PHE 366 CO 0.30 0.42 -0.10 0.12 0.70 0.00 0.00 175.22 176.67 3jz4 s PHE 367 N -0.62 0.83 -0.15 0.36 5.36 -1.26 -2.33 117.98 120.17 3jz4 s PHE 367 Ca 0.35 -0.34 -0.29 0.00 -0.96 0.00 0.00 56.93 55.69 3jz4 s PHE 367 Cb -0.21 -0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 41.96 3jz4 s PHE 367 CO 0.23 -0.02 1.10 -0.65 -1.46 0.00 0.00 175.22 174.42 3jz4 s GLN 368 N -1.03 4.32 -0.30 10.12 -0.21 -0.80 -4.72 119.66 127.03 3jz4 s GLN 368 Ca -0.02 1.49 -0.41 0.00 0.02 0.00 0.00 55.36 56.44 3jz4 s GLN 368 Cb -0.07 -3.62 -0.16 0.00 1.00 0.00 0.00 33.01 30.16 3jz4 s GLN 368 CO 0.01 -0.51 1.77 -2.30 -2.12 0.00 0.00 175.29 172.13 3jz4 n PRO 369 N 5.76 1.06 -5.07 2.91 -0.02 -1.26 -4.30 135.00 134.09 3jz4 n PRO 369 Ca 0.11 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.69 3jz4 n PRO 369 Cb 0.47 -2.07 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.73 1.74 -0.06 3.45 2.01 0.00 -3.40 115.64 123.11 3jz4 s THR 370 Ca 1.00 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 62.14 3jz4 s THR 370 Cb -1.10 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 3jz4 s THR 370 CO 0.66 0.49 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.23 3jz4 s ILE 371 N -0.23 2.33 0.08 1.82 1.01 -0.59 -1.46 121.20 124.16 3jz4 s ILE 371 Ca 0.01 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.76 3jz4 s ILE 371 Cb -0.11 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3jz4 s ILE 371 CO 0.02 0.57 -0.14 -0.76 0.00 0.00 0.00 174.94 174.63 3jz4 s LEU 372 N -0.23 2.86 0.25 2.97 1.43 -0.35 -1.83 118.68 123.78 3jz4 s LEU 372 Ca -0.01 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3jz4 s LEU 372 Cb -0.13 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3jz4 s LEU 372 CO 0.03 0.21 0.02 0.68 0.23 0.00 0.00 176.35 177.53 3jz4 s VAL 373 N -1.09 0.98 -1.37 -1.59 -7.23 -0.51 0.02 120.40 109.60 3jz4 s VAL 373 Ca 0.18 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.24 3jz4 s VAL 373 Cb -0.11 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.39 3jz4 s VAL 373 CO 0.10 -0.22 1.12 0.47 -0.31 0.00 0.00 175.10 176.26 3jz4 n ASP 374 N -0.47 -5.57 -4.64 4.85 8.00 -1.26 -0.44 116.55 117.01 3jz4 n ASP 374 Ca -0.04 -0.60 -0.38 0.00 0.71 0.00 0.00 54.79 54.49 3jz4 n ASP 374 Cb 0.65 -4.82 -0.09 0.00 -0.02 0.00 0.00 41.12 36.84 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 -3.33 5.24 0.63 2.53 1.01 -1.26 -3.17 120.40 122.05 3jz4 s VAL 375 Ca 0.53 0.51 -0.15 0.00 0.00 0.00 0.00 61.98 62.87 3jz4 s VAL 375 Cb -0.24 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3jz4 s VAL 375 CO 0.75 0.24 1.07 -2.16 0.00 0.00 0.00 175.10 175.00 3jz4 s PRO 376 N 1.53 3.08 0.59 2.72 0.04 -1.26 -4.94 135.00 136.76 3jz4 s PRO 376 Ca 0.14 1.21 0.33 0.00 0.04 0.00 0.00 61.00 62.72 3jz4 s PRO 376 Cb -0.15 -2.00 1.88 0.00 0.04 0.00 0.00 34.50 34.28 3jz4 s PRO 376 CO 0.08 -1.00 2.24 0.00 0.04 0.00 0.00 177.00 178.36 3jz4 h ALA 377 N 0.09 1.35 -0.18 8.56 0.00 -1.98 -2.30 119.26 124.81 3jz4 h ALA 377 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3jz4 h ALA 377 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3jz4 h ALA 377 CO 0.56 0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.11 3jz4 n ASN 378 N -3.62 1.76 -4.77 0.00 6.94 -1.26 -4.57 115.26 109.75 3jz4 n ASN 378 Ca -0.03 -1.72 -0.37 0.00 -0.02 0.00 0.00 54.58 52.44 3jz4 n ASN 378 Cb 0.11 -0.11 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 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 -1.78 2.97 0.28 -2.53 0.00 -0.87 -4.88 121.76 114.95 3jz4 s ALA 379 Ca 0.33 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.27 3jz4 s ALA 379 Cb 0.18 -3.39 0.68 0.00 0.00 0.00 0.00 23.12 20.59 3jz4 s ALA 379 CO 0.27 -0.69 1.72 0.87 0.00 0.00 0.00 175.76 177.93 3jz4 h LYS 380 N 2.03 0.47 0.00 0.00 1.57 -1.91 0.47 116.57 119.20 3jz4 h LYS 380 Ca -0.49 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 3jz4 h LYS 380 Cb 1.25 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 3jz4 h LYS 380 CO 0.60 0.31 -0.04 -0.24 -0.57 0.00 0.00 179.45 179.52 3jz4 h VAL 381 N 0.49 0.16 -0.13 0.50 3.04 -1.88 0.07 116.25 118.51 3jz4 h VAL 381 Ca 0.54 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.85 3jz4 h VAL 381 Cb 0.95 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3jz4 h VAL 381 CO -0.47 0.04 0.00 -1.54 -1.01 0.00 0.00 177.57 174.58 3jz4 n SER 382 N -3.23 2.35 -0.00 3.17 3.41 0.11 -4.56 113.62 114.86 3jz4 n SER 382 Ca -0.01 -1.67 -0.00 0.00 -0.26 0.00 0.00 58.87 56.93 3jz4 n SER 382 Cb 0.22 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.69 3.39 -3.79 4.33 5.02 -0.90 -4.94 118.16 121.96 3jz4 n LYS 383 Ca 0.09 -0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.15 3jz4 n LYS 383 Cb 0.35 -1.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.32 3jz4 n LYS 383 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3jz4 s GLU 384 N -2.00 2.40 -0.31 1.97 2.02 -0.02 -4.93 118.70 117.83 3jz4 s GLU 384 Ca -0.00 -1.68 -0.25 0.00 0.02 0.00 0.00 54.97 53.05 3jz4 s GLU 384 Cb 0.00 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 32.02 3jz4 s GLU 384 CO 0.00 -0.20 0.89 -2.00 0.02 0.00 0.00 175.26 173.97 3jz4 s GLU 385 N -4.06 4.01 0.02 1.61 2.12 -1.26 -4.82 118.70 116.32 3jz4 s GLU 385 Ca 0.45 0.77 -0.18 0.00 0.36 0.00 0.00 54.97 56.36 3jz4 s GLU 385 Cb -0.01 -3.73 -0.24 0.00 0.26 0.00 0.00 34.13 30.41 3jz4 s GLU 385 CO 0.25 -0.74 1.10 1.15 -0.54 0.00 0.00 175.26 176.48 3jz4 h THR 386 N 5.63 1.39 -5.77 -1.70 2.02 -1.88 -3.48 112.91 109.12 3jz4 h THR 386 Ca -0.23 -2.18 -0.43 0.00 0.77 0.00 0.00 66.41 64.34 3jz4 h THR 386 Cb 1.08 2.60 -0.08 0.00 -1.74 0.00 0.00 68.15 70.02 3jz4 h THR 386 CO 0.93 0.64 -0.65 0.49 0.37 0.00 0.00 175.52 177.31 3jz4 n PHE 387 N -4.10 -1.92 -4.08 3.16 3.01 -1.26 -4.70 117.46 107.57 3jz4 n PHE 387 Ca -0.11 0.63 -0.14 0.00 1.01 0.00 0.00 57.45 58.84 3jz4 n PHE 387 Cb 0.75 -3.31 -0.04 0.00 -0.01 0.00 0.00 39.48 36.87 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 -2.94 1.37 -1.27 1.37 0.00 -1.04 -4.19 107.32 100.62 3jz4 s GLY 388 Ca 0.51 -1.45 -0.06 0.00 0.00 0.00 0.00 44.72 43.73 3jz4 s GLY 388 CO 0.63 -0.97 2.46 -1.55 0.00 0.00 0.00 173.10 173.67 3jz4 n PRO 389 N -0.53 4.38 -4.09 2.90 -0.04 -0.96 -4.38 135.00 132.28 3jz4 n PRO 389 Ca 0.01 -3.29 -0.21 0.00 -0.04 0.00 0.00 63.50 59.96 3jz4 n PRO 389 Cb 0.62 -2.60 -0.17 0.00 -0.04 0.00 0.00 33.50 31.31 3jz4 n PRO 389 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3jz4 s LEU 390 N -1.99 1.20 -0.10 1.53 2.96 -1.26 -0.82 118.68 120.21 3jz4 s LEU 390 Ca 0.56 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3jz4 s LEU 390 Cb 0.20 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.42 3jz4 s LEU 390 CO -0.10 -0.08 -0.08 0.00 -1.32 0.00 0.00 176.35 174.76 3jz4 s ALA 391 N 1.14 1.28 0.36 5.97 0.00 -0.54 -4.90 121.76 125.08 3jz4 s ALA 391 Ca -0.07 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 3jz4 s ALA 391 Cb -0.14 -0.81 -0.10 0.00 0.00 0.00 0.00 23.12 22.07 3jz4 s ALA 391 CO -0.01 -0.28 0.88 -1.25 0.00 0.00 0.00 175.76 175.10 3jz4 s PRO 392 N 1.45 4.29 -0.14 0.00 0.04 -1.26 -1.21 135.00 138.17 3jz4 s PRO 392 Ca 0.00 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.13 3jz4 s PRO 392 Cb -0.13 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3jz4 s PRO 392 CO -0.05 0.14 -0.20 -1.17 0.04 0.00 0.00 177.00 175.76 3jz4 s LEU 393 N -2.69 2.25 -0.03 -3.56 2.96 0.10 -1.21 118.68 116.50 3jz4 s LEU 393 Ca 0.55 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 3jz4 s LEU 393 Cb -0.13 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3jz4 s LEU 393 CO 0.18 0.10 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.72 3jz4 s PHE 394 N 0.70 2.42 0.10 5.38 0.08 0.26 -4.23 117.98 122.70 3jz4 s PHE 394 Ca -0.09 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.45 3jz4 s PHE 394 Cb -0.16 -1.53 -0.06 0.00 -0.57 0.00 0.00 43.02 40.69 3jz4 s PHE 394 CO 0.01 0.01 0.50 0.50 -0.10 0.00 0.00 175.22 176.14 3jz4 s ARG 395 N -0.63 3.94 0.11 0.44 3.52 -1.26 -0.11 118.95 124.96 3jz4 s ARG 395 Ca 0.10 0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 56.11 3jz4 s ARG 395 Cb -0.10 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 3jz4 s ARG 395 CO -0.01 0.54 0.07 -0.59 -0.81 0.00 0.00 175.30 174.51 3jz4 s PHE 396 N -1.36 0.64 -0.18 5.12 -0.12 -0.97 -4.87 117.98 116.23 3jz4 s PHE 396 Ca 0.34 -1.07 -0.14 0.00 -0.05 0.00 0.00 56.93 56.01 3jz4 s PHE 396 Cb -0.15 -0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 41.80 3jz4 s PHE 396 CO 0.18 -0.50 -0.18 1.17 -0.05 0.00 0.00 175.22 175.84 3jz4 n LYS 397 N -0.04 0.51 -4.13 1.99 0.00 -1.26 -0.71 118.16 114.51 3jz4 n LYS 397 Ca -0.09 0.42 -0.15 0.00 0.00 0.00 0.00 58.31 58.49 3jz4 n LYS 397 Cb 0.63 -1.61 -0.06 0.00 0.00 0.00 0.00 35.03 33.99 3jz4 n LYS 397 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 3jz4 s ASP 398 N -6.16 0.91 0.18 3.14 1.47 -1.26 -4.67 116.67 110.28 3jz4 s ASP 398 Ca -0.24 -1.49 -0.14 0.00 1.18 0.00 0.00 52.55 51.87 3jz4 s ASP 398 Cb 0.05 0.61 0.15 0.00 -0.34 0.00 0.00 42.92 43.39 3jz4 s ASP 398 CO 0.37 -1.19 1.73 -0.08 0.68 0.00 0.00 175.17 176.67 3jz4 h GLU 399 N 2.18 0.25 0.04 2.11 4.81 -2.00 -3.00 114.58 118.96 3jz4 h GLU 399 Ca -0.28 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3jz4 h GLU 399 Cb 1.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3jz4 h GLU 399 CO 0.39 0.16 -0.02 0.00 -0.73 0.00 0.00 179.01 178.82 3jz4 h ALA 400 N 1.34 -0.06 -0.12 2.92 0.00 -2.00 -2.78 119.26 118.56 3jz4 h ALA 400 Ca 0.22 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3jz4 h ALA 400 Cb 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3jz4 h ALA 400 CO -0.27 -0.52 -0.03 0.38 0.00 0.00 0.00 179.25 178.81 3jz4 h ASP 401 N -0.09 -0.11 -0.16 0.00 3.04 -1.98 -2.37 116.42 114.76 3jz4 h ASP 401 Ca -0.01 0.04 -0.09 0.00 -3.24 0.00 0.00 57.03 53.73 3jz4 h ASP 401 Cb 0.07 0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 38.42 3jz4 h ASP 401 CO 0.01 -0.04 -0.19 1.62 -2.04 0.00 0.00 179.24 178.61 3jz4 h VAL 402 N 0.00 1.26 -0.21 4.15 3.04 -1.56 -0.93 116.25 122.00 3jz4 h VAL 402 Ca 0.06 -1.19 -0.00 0.00 -1.01 0.00 0.00 66.70 64.55 3jz4 h VAL 402 Cb 0.09 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 3jz4 h VAL 402 CO -0.12 0.39 0.12 0.40 -1.01 0.00 0.00 177.57 177.35 3jz4 h ILE 403 N 0.52 1.10 -0.58 3.17 2.04 -1.31 0.37 117.51 122.81 3jz4 h ILE 403 Ca 0.08 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3jz4 h ILE 403 Cb 0.62 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3jz4 h ILE 403 CO 0.04 0.09 0.33 0.00 0.00 0.00 0.00 178.15 178.61 3jz4 h ALA 404 N 1.02 0.76 -0.31 1.87 0.00 -1.18 -0.80 119.26 120.62 3jz4 h ALA 404 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3jz4 h ALA 404 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3jz4 h ALA 404 CO -0.01 0.02 0.04 1.96 0.00 0.00 0.00 179.25 181.26 3jz4 h GLN 405 N 0.64 0.53 -0.62 0.00 7.50 -0.89 -2.29 115.11 119.97 3jz4 h GLN 405 Ca 0.25 -0.15 0.03 0.00 0.50 0.00 0.00 58.65 59.28 3jz4 h GLN 405 Cb 0.09 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.53 3jz4 h GLN 405 CO -0.14 0.63 0.37 0.00 -1.50 0.00 0.00 178.83 178.20 3jz4 h ALA 406 N 0.87 0.80 -0.00 3.87 0.00 -0.03 -2.54 119.26 122.22 3jz4 h ALA 406 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3jz4 h ALA 406 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3jz4 h ALA 406 CO 0.01 0.11 -0.05 0.09 0.00 0.00 0.00 179.25 179.40 3jz4 n ASN 407 N -4.74 0.28 -3.62 0.00 3.02 -0.33 -4.60 115.26 105.28 3jz4 n ASN 407 Ca 0.06 -0.53 -0.41 0.00 -0.03 0.00 0.00 54.58 53.67 3jz4 n ASN 407 Cb 0.09 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.03 6.02 -3.52 6.41 2.03 -0.87 -4.82 116.55 120.77 3jz4 n ASP 408 Ca 0.16 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.46 3jz4 n ASP 408 Cb 0.24 -1.55 -0.04 0.00 -0.72 0.00 0.00 41.12 39.05 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 1.64 0.00 -0.39 5.18 -1.32 -1.26 -5.03 115.64 114.46 3jz4 s THR 409 Ca 0.52 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.27 3jz4 s THR 409 Cb 0.15 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.46 3jz4 s THR 409 CO -0.06 0.00 1.76 1.05 -2.21 0.00 0.00 174.62 175.16 3jz4 h GLU 410 N 2.54 0.00 -7.34 7.08 4.11 -1.91 -3.45 114.58 115.60 3jz4 h GLU 410 Ca -0.24 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.73 3jz4 h GLU 410 Cb 1.19 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.53 3jz4 h GLU 410 CO 0.35 0.00 0.23 -0.06 0.07 0.00 0.00 179.01 179.59 3jz4 s PHE 411 N -3.31 2.34 -0.03 2.06 0.40 -1.26 -1.22 117.98 116.95 3jz4 s PHE 411 Ca 0.06 0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 3jz4 s PHE 411 Cb 0.09 -3.31 0.04 0.00 0.51 0.00 0.00 43.02 40.35 3jz4 s PHE 411 CO 0.57 -1.70 0.46 0.41 0.70 0.00 0.00 175.22 175.66 3jz4 n GLY 412 N -3.04 -0.39 0.00 4.36 0.00 -1.25 -4.84 105.19 100.03 3jz4 n GLY 412 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.15 0.40 -4.54 0.99 0.00 -1.26 -1.18 117.00 111.25 3jz4 n LEU 413 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.66 3jz4 n LEU 413 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.77 3jz4 n LEU 413 CO -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 177.39 176.93 3jz4 s ALA 414 N -4.20 2.84 0.05 1.96 0.00 -1.26 -0.69 121.76 120.46 3jz4 s ALA 414 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3jz4 s ALA 414 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3jz4 s ALA 414 CO 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 175.76 176.32 3jz4 s ALA 415 N -1.02 0.56 0.03 0.00 0.00 0.06 -4.08 121.76 117.30 3jz4 s ALA 415 Ca 0.17 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3jz4 s ALA 415 Cb -0.11 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3jz4 s ALA 415 CO 0.08 -0.23 -0.08 0.71 0.00 0.00 0.00 175.76 176.24 3jz4 s TYR 416 N -2.90 0.69 0.03 0.00 2.02 -0.28 -0.81 117.35 116.11 3jz4 s TYR 416 Ca 0.01 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.17 3jz4 s TYR 416 Cb 0.00 -0.42 0.02 0.00 -0.40 0.00 0.00 41.96 41.17 3jz4 s TYR 416 CO -0.05 -0.05 0.32 -0.59 -1.57 0.00 0.00 175.55 173.61 3jz4 s PHE 417 N -1.05 -0.14 -0.17 2.71 -0.71 -0.28 -0.55 117.98 117.79 3jz4 s PHE 417 Ca -0.06 0.05 0.01 0.00 -1.04 0.00 0.00 56.93 55.89 3jz4 s PHE 417 Cb -0.08 0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.86 3jz4 s PHE 417 CO 0.00 -0.49 -0.17 0.71 -1.34 0.00 0.00 175.22 173.93 3jz4 s TYR 418 N -2.33 2.56 0.09 3.49 2.02 0.72 -0.46 117.35 123.45 3jz4 s TYR 418 Ca -0.06 -1.52 -0.26 0.00 -0.37 0.00 0.00 57.07 54.86 3jz4 s TYR 418 Cb -0.02 -1.79 0.07 0.00 -0.40 0.00 0.00 41.96 39.83 3jz4 s TYR 418 CO -0.02 -0.76 0.63 0.00 -1.57 0.00 0.00 175.55 173.83 3jz4 s ALA 419 N 1.36 -1.66 -0.05 3.71 0.00 -1.26 -1.90 121.76 121.96 3jz4 s ALA 419 Ca 0.04 0.77 0.09 0.00 0.00 0.00 0.00 51.96 52.86 3jz4 s ALA 419 Cb -0.13 0.59 -0.14 0.00 0.00 0.00 0.00 23.12 23.44 3jz4 s ALA 419 CO -0.12 -0.64 0.14 0.54 0.00 0.00 0.00 175.76 175.69 3jz4 n ARG 420 N 0.04 1.21 -2.21 0.00 1.74 -1.25 -4.85 116.66 111.34 3jz4 n ARG 420 Ca -0.18 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.43 3jz4 n ARG 420 Cb 0.62 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.80 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 -3.55 6.83 0.13 0.55 2.15 -1.26 -4.95 116.67 116.57 3jz4 s ASP 421 Ca -0.04 2.07 -0.26 0.00 0.43 0.00 0.00 52.55 54.75 3jz4 s ASP 421 Cb 0.05 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.09 3jz4 s ASP 421 CO 0.40 -0.77 1.62 0.25 -0.17 0.00 0.00 175.17 176.50 3jz4 h LEU 422 N 8.92 -0.91 -0.57 -1.34 5.85 -1.99 -0.70 115.31 124.57 3jz4 h LEU 422 Ca -0.36 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.56 3jz4 h LEU 422 Cb 1.17 0.39 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 3jz4 h LEU 422 CO 0.92 -0.35 0.25 0.28 -0.34 0.00 0.00 178.44 179.21 3jz4 h SER 423 N -0.39 0.32 -0.59 1.25 0.02 -2.00 -1.75 113.55 110.41 3jz4 h SER 423 Ca 0.09 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3jz4 h SER 423 Cb 0.52 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 3jz4 h SER 423 CO -0.32 0.21 0.32 -0.09 -1.14 0.00 0.00 176.83 175.81 3jz4 h ARG 424 N 0.47 0.60 -0.53 3.45 2.43 -1.89 -0.81 114.38 118.09 3jz4 h ARG 424 Ca 0.27 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3jz4 h ARG 424 Cb 0.25 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3jz4 h ARG 424 CO -0.23 0.39 0.34 0.28 -1.51 0.00 0.00 179.97 179.25 3jz4 h VAL 425 N 0.61 1.11 -0.16 0.20 2.07 -0.41 -0.05 116.25 119.63 3jz4 h VAL 425 Ca 0.26 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3jz4 h VAL 425 Cb 0.13 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3jz4 h VAL 425 CO -0.16 0.13 0.04 -0.26 0.02 0.00 0.00 177.57 177.34 3jz4 h PHE 426 N 0.70 0.26 -0.07 1.57 0.04 -1.12 -0.32 116.94 117.99 3jz4 h PHE 426 Ca 0.20 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.97 3jz4 h PHE 426 Cb -0.05 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 3jz4 h PHE 426 CO -0.05 0.39 -0.11 0.00 -0.60 0.00 0.00 178.31 177.95 3jz4 h ARG 427 N 0.06 -0.15 -0.14 1.51 3.08 -0.81 -0.39 114.38 117.54 3jz4 h ARG 427 Ca 0.05 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 3jz4 h ARG 427 Cb 0.26 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3jz4 h ARG 427 CO 0.00 -0.10 -0.47 0.28 -1.07 0.00 0.00 179.97 178.61 3jz4 h VAL 428 N -0.16 1.35 -0.71 2.04 2.07 -1.04 -1.82 116.25 117.97 3jz4 h VAL 428 Ca 0.07 -1.75 0.04 0.00 0.82 0.00 0.00 66.70 65.87 3jz4 h VAL 428 Cb 0.25 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 3jz4 h VAL 428 CO -0.17 0.53 0.44 1.23 0.02 0.00 0.00 177.57 179.63 3jz4 h GLY 429 N 0.19 1.04 1.82 2.17 0.00 -0.94 -1.94 103.07 105.41 3jz4 h GLY 429 Ca -0.02 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 3jz4 h GLY 429 CO 0.10 0.26 -0.64 0.83 0.00 0.00 0.00 176.54 177.09 3jz4 h GLU 430 N 0.85 0.18 0.00 4.80 5.08 -1.05 -3.33 114.58 121.12 3jz4 h GLU 430 Ca 0.29 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3jz4 h GLU 430 Cb 0.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3jz4 h GLU 430 CO -0.13 0.76 -0.53 0.00 -1.00 0.00 0.00 179.01 178.12 3jz4 h ALA 431 N 1.21 0.76 -2.45 3.43 0.00 -0.85 -3.46 119.26 117.90 3jz4 h ALA 431 Ca -0.01 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.19 3jz4 h ALA 431 Cb 1.15 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.96 3jz4 h ALA 431 CO 0.10 0.22 0.83 -0.51 0.00 0.00 0.00 179.25 179.88 3jz4 s LEU 432 N -5.98 4.34 -1.29 0.00 1.43 -0.77 -4.92 118.68 111.50 3jz4 s LEU 432 Ca 0.03 2.26 -0.09 0.00 -1.03 0.00 0.00 54.13 55.30 3jz4 s LEU 432 Cb 0.07 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.88 3jz4 s LEU 432 CO 0.73 -0.73 1.92 -0.62 0.23 0.00 0.00 176.35 177.89 3jz4 n GLU 433 N 4.91 3.70 -3.97 1.70 1.02 -1.26 -4.91 120.64 121.83 3jz4 n GLU 433 Ca 0.13 -3.52 -0.09 0.00 -0.02 0.00 0.00 57.16 53.66 3jz4 n GLU 433 Cb 0.43 -2.90 -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 0.25 0.25 -0.11 -0.32 2.02 -1.26 -4.40 117.35 113.78 3jz4 s TYR 434 Ca 0.41 -0.51 0.17 0.00 -0.37 0.00 0.00 57.07 56.77 3jz4 s TYR 434 Cb 0.10 -0.18 0.26 0.00 -0.40 0.00 0.00 41.96 41.74 3jz4 s TYR 434 CO -0.00 -0.21 1.53 0.78 -1.57 0.00 0.00 175.55 176.09 3jz4 h GLY 435 N 4.56 0.00 -5.88 0.71 0.00 -0.25 -3.45 103.07 98.76 3jz4 h GLY 435 Ca -0.32 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.52 3jz4 h GLY 435 CO 0.42 0.00 -0.81 -0.42 0.00 0.00 0.00 176.54 175.73 3jz4 s ILE 436 N -3.13 1.02 -0.19 2.60 1.01 0.13 -4.73 121.20 117.91 3jz4 s ILE 436 Ca 0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 3jz4 s ILE 436 Cb 0.08 -0.95 0.05 0.00 0.01 0.00 0.00 42.46 41.66 3jz4 s ILE 436 CO 0.72 0.33 -0.01 -0.69 0.00 0.00 0.00 174.94 175.29 3jz4 s VAL 437 N 0.66 0.90 -0.11 2.92 1.01 -1.26 -0.76 120.40 123.77 3jz4 s VAL 437 Ca -0.13 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 3jz4 s VAL 437 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3jz4 s VAL 437 CO 0.03 -0.08 0.75 -0.83 0.00 0.00 0.00 175.10 174.97 3jz4 s GLY 438 N 1.70 2.42 -0.25 4.51 0.00 0.01 -4.99 107.32 110.71 3jz4 s GLY 438 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.79 3jz4 s GLY 438 CO -0.07 1.37 -0.09 -0.42 0.00 0.00 0.00 173.10 173.89 3jz4 s ILE 439 N 1.34 2.51 -1.98 0.90 1.01 -1.26 -1.12 121.20 122.60 3jz4 s ILE 439 Ca 0.38 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3jz4 s ILE 439 Cb -0.17 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.94 3jz4 s ILE 439 CO 0.16 0.10 0.00 0.59 0.00 0.00 0.00 174.94 175.79 3jz4 n ASN 440 N 4.56 -5.75 -3.72 3.58 3.02 0.40 -4.97 115.26 112.38 3jz4 n ASN 440 Ca -0.16 0.21 -0.13 0.00 -0.03 0.00 0.00 54.58 54.47 3jz4 n ASN 440 Cb 0.45 -4.91 -0.09 0.00 -0.61 0.00 0.00 39.78 34.61 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 -2.93 0.00 -1.47 3.41 -1.32 -1.26 -5.00 115.64 107.07 3jz4 s THR 441 Ca 0.00 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 60.70 3jz4 s THR 441 Cb 0.00 -0.65 0.03 0.00 -1.51 0.00 0.00 72.50 70.38 3jz4 s THR 441 CO 0.00 -0.01 1.28 0.61 -2.21 0.00 0.00 174.62 174.29 3jz4 n GLY 442 N 2.74 -0.70 3.04 6.08 0.00 -1.26 -4.67 105.19 110.41 3jz4 n GLY 442 Ca -0.14 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.73 1.97 -0.36 -0.61 -0.00 -1.26 -4.35 121.20 113.86 3jz4 s ILE 443 Ca 0.16 -1.42 0.05 0.00 -0.00 0.00 0.00 60.65 59.44 3jz4 s ILE 443 Cb 0.18 -2.08 -0.02 0.00 -0.00 0.00 0.00 42.46 40.55 3jz4 s ILE 443 CO 0.65 0.03 0.36 2.30 -0.00 0.00 0.00 174.94 178.28 3jz4 n ILE 444 N 4.53 0.00 -1.86 8.37 -5.35 -1.26 -5.04 119.36 118.75 3jz4 n ILE 444 Ca -0.14 -0.43 -0.42 0.00 -0.27 0.00 0.00 62.75 61.48 3jz4 n ILE 444 Cb 0.44 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.35 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 -1.05 6.54 0.24 7.28 0.01 -1.26 -5.01 113.70 120.45 3jz4 s SER 445 Ca 0.03 2.59 -0.22 0.00 1.31 0.00 0.00 55.95 59.67 3jz4 s SER 445 Cb 0.04 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.75 3jz4 s SER 445 CO 0.14 -0.92 0.85 0.54 0.41 0.00 0.00 173.24 174.26 3jz4 s ASN 446 N 2.39 -0.16 0.02 2.44 2.20 -1.26 -5.06 114.94 115.51 3jz4 s ASN 446 Ca 0.76 -0.63 0.24 0.00 -0.94 0.00 0.00 52.86 52.30 3jz4 s ASN 446 Cb -0.42 0.64 0.40 0.00 -2.00 0.00 0.00 41.25 39.87 3jz4 s ASN 446 CO 0.33 -1.21 1.34 -1.84 -2.94 0.00 0.00 177.10 172.79 3jz4 n GLU 447 N -0.50 0.08 0.04 3.55 0.00 -1.26 -4.36 120.64 118.19 3jz4 n GLU 447 Ca -0.05 0.01 0.11 0.00 0.00 0.00 0.00 57.16 57.23 3jz4 n GLU 447 Cb 0.60 -1.54 0.02 0.00 0.00 0.00 0.00 31.44 30.52 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 -1.65 0.28 -4.18 3.84 0.24 -1.26 0.50 118.33 116.11 3jz4 n VAL 448 Ca 0.05 -0.34 -0.30 0.00 -2.04 0.00 0.00 64.34 61.71 3jz4 n VAL 448 Cb 0.36 0.02 -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 -3.26 3.22 -0.05 2.33 0.00 -1.26 -3.77 121.76 118.97 3jz4 s ALA 449 Ca 0.02 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 3jz4 s ALA 449 Cb 0.13 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3jz4 s ALA 449 CO 0.80 0.68 1.31 -1.25 0.00 0.00 0.00 175.76 177.30 3jz4 s PRO 450 N -2.18 4.30 -0.17 0.00 0.04 -1.26 -3.82 135.00 131.91 3jz4 s PRO 450 Ca 0.24 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 3jz4 s PRO 450 Cb -0.12 -3.62 -0.00 0.00 0.04 0.00 0.00 34.50 30.80 3jz4 s PRO 450 CO 0.16 -0.56 -0.12 -0.06 0.04 0.00 0.00 177.00 176.46 3jz4 s PHE 451 N 2.58 2.83 0.00 0.56 0.08 0.31 -4.88 117.98 119.46 3jz4 s PHE 451 Ca 0.60 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 56.68 3jz4 s PHE 451 Cb -0.27 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.25 3jz4 s PHE 451 CO 0.23 -0.45 0.00 0.41 -0.10 0.00 0.00 175.22 175.31 3jz4 n GLY 452 N 4.15 -0.69 3.61 4.36 0.00 -1.26 -0.56 105.19 114.79 3jz4 n GLY 452 Ca -0.19 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 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 1.70 0.47 -0.02 0.00 -1.26 -4.11 107.32 104.10 3jz4 s GLY 453 Ca 0.00 -1.68 0.07 0.00 0.00 0.00 0.00 44.72 43.11 3jz4 s GLY 453 CO 0.00 -1.75 0.39 -0.26 0.00 0.00 0.00 173.10 171.48 3jz4 s ILE 454 N -2.31 2.23 0.00 0.90 -4.36 -0.33 -4.18 121.20 113.15 3jz4 s ILE 454 Ca 0.31 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 3jz4 s ILE 454 Cb -0.06 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 41.00 3jz4 s ILE 454 CO 0.19 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.66 3jz4 n LYS 455 N -1.63 0.00 0.00 0.37 5.02 -1.26 -1.94 118.16 118.71 3jz4 n LYS 455 Ca 0.02 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.36 3jz4 n LYS 455 Cb 0.63 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.88 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 7.55 1.54 0.51 7.82 0.00 -0.36 -3.53 120.51 134.05 3jz4 n ALA 456 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.49 3jz4 n ALA 456 Cb 0.00 -1.18 0.40 0.00 0.00 0.00 0.00 19.45 18.67 3jz4 n ALA 456 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3jz4 n SER 457 N -1.45 0.25 0.00 0.00 7.64 -0.82 -4.71 113.62 114.54 3jz4 n SER 457 Ca 0.03 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.47 3jz4 n SER 457 Cb 0.12 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 3jz4 n SER 457 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jz4 n GLY 458 N 0.17 -0.48 2.88 0.23 0.00 -1.23 -1.06 105.19 105.70 3jz4 n GLY 458 Ca 0.03 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 1.99 0.00 0.99 1.43 0.05 -4.63 118.68 118.52 3jz4 s LEU 459 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3jz4 s LEU 459 Cb 0.00 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.19 3jz4 s LEU 459 CO 0.00 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3jz4 n GLY 460 N 3.08 -1.26 3.16 -3.19 0.00 -1.26 -1.29 105.19 104.43 3jz4 n GLY 460 Ca -0.12 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.39 0.80 0.10 1.61 1.81 -1.26 -4.38 118.95 116.23 3jz4 s ARG 461 Ca 0.00 -0.96 0.10 0.00 -1.72 0.00 0.00 55.73 53.15 3jz4 s ARG 461 Cb 0.00 -0.76 -0.04 0.00 -0.45 0.00 0.00 34.95 33.71 3jz4 s ARG 461 CO 0.00 0.16 -0.25 -1.21 -0.68 0.00 0.00 175.30 173.32 3jz4 s GLU 462 N -1.84 1.63 0.09 3.54 2.02 0.28 -4.27 118.70 120.14 3jz4 s GLU 462 Ca -0.02 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.75 3jz4 s GLU 462 Cb -0.09 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3jz4 s GLU 462 CO 0.02 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.19 3jz4 n GLY 463 N 1.21 -1.88 0.98 -1.39 0.00 -1.26 -0.53 105.19 102.32 3jz4 n GLY 463 Ca -0.17 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.49 -5.83 0.22 1.61 3.41 0.18 -1.76 113.62 108.96 3jz4 n SER 464 Ca -0.00 0.39 0.06 0.00 -0.26 0.00 0.00 58.87 59.06 3jz4 n SER 464 Cb 0.13 -2.97 0.50 0.00 -0.26 0.00 0.00 64.21 61.61 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 -0.91 0.00 0.00 4.33 2.10 -1.89 -2.84 116.57 117.35 3jz4 h LYS 465 Ca 0.02 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.59 3jz4 h LYS 465 Cb 0.90 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 3jz4 h LYS 465 CO 0.01 0.23 -0.37 1.88 -2.00 0.00 0.00 179.45 179.20 3jz4 h TYR 466 N 0.00 0.00 -0.81 0.07 0.05 -1.95 -3.28 116.97 111.06 3jz4 h TYR 466 Ca -0.00 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 3jz4 h TYR 466 Cb 0.45 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.14 3jz4 h TYR 466 CO 0.00 0.37 0.53 0.78 -1.05 0.00 0.00 178.16 178.79 3jz4 h GLY 467 N 1.48 1.07 2.00 3.88 0.00 -1.08 -2.42 103.07 108.00 3jz4 h GLY 467 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3jz4 h GLY 467 CO 0.05 0.18 -0.11 1.19 0.00 0.00 0.00 176.54 177.86 3jz4 h ILE 468 N 0.76 0.19 0.00 2.60 2.10 -1.73 -3.29 117.51 118.14 3jz4 h ILE 468 Ca 0.37 -1.16 -0.02 0.00 1.08 0.00 0.00 64.86 65.13 3jz4 h ILE 468 Cb 0.43 2.00 -0.00 0.00 -1.09 0.00 0.00 36.82 38.15 3jz4 h ILE 468 CO -0.14 0.10 -0.08 -0.33 -1.08 0.00 0.00 178.15 176.62 3jz4 h GLU 469 N 0.00 0.00 0.00 2.19 4.39 -1.61 -1.83 114.58 117.73 3jz4 h GLU 469 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3jz4 h GLU 469 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3jz4 h GLU 469 CO 0.01 0.08 0.00 -0.25 -1.16 0.00 0.00 179.01 177.69 3jz4 n ASP 470 N -3.26 0.62 -0.59 1.42 8.00 -1.24 -3.10 116.55 118.39 3jz4 n ASP 470 Ca -0.00 0.63 0.06 0.00 0.71 0.00 0.00 54.79 56.19 3jz4 n ASP 470 Cb 0.30 -0.77 0.10 0.00 -0.02 0.00 0.00 41.12 40.73 3jz4 n ASP 470 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3jz4 n TYR 471 N -2.16 0.23 -4.34 1.24 4.02 -0.69 -4.99 117.16 110.48 3jz4 n TYR 471 Ca 0.03 -0.22 -0.27 0.00 -0.01 0.00 0.00 57.90 57.43 3jz4 n TYR 471 Cb 0.26 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.02 2.81 -0.06 7.72 1.43 -1.18 -1.00 118.68 127.37 3jz4 s LEU 472 Ca 0.20 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3jz4 s LEU 472 Cb 0.12 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 3jz4 s LEU 472 CO 0.16 0.10 -0.15 -1.61 0.23 0.00 0.00 176.35 175.08 3jz4 s GLU 473 N -2.83 2.65 0.03 1.70 0.41 0.11 -4.72 118.70 116.04 3jz4 s GLU 473 Ca 0.24 -0.72 -0.28 0.00 -0.41 0.00 0.00 54.97 53.80 3jz4 s GLU 473 Cb -0.08 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.83 3jz4 s GLU 473 CO 0.14 0.53 0.87 0.42 -0.49 0.00 0.00 175.26 176.73 3jz4 s ILE 474 N -0.48 4.76 -0.17 -1.63 1.01 -1.26 -1.36 121.20 122.07 3jz4 s ILE 474 Ca 0.06 1.85 0.01 0.00 0.00 0.00 0.00 60.65 62.58 3jz4 s ILE 474 Cb -0.12 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.15 3jz4 s ILE 474 CO 0.02 0.27 -0.19 -0.75 0.00 0.00 0.00 174.94 174.29 3jz4 s LYS 475 N 0.43 2.80 -0.25 2.79 2.20 0.38 -4.99 119.74 123.10 3jz4 s LYS 475 Ca 0.45 -0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 55.17 3jz4 s LYS 475 Cb -0.21 -2.42 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 3jz4 s LYS 475 CO 0.26 -0.19 0.29 -0.47 -0.36 0.00 0.00 175.35 174.87 3jz4 s TYR 476 N 1.27 3.28 -0.12 4.03 5.04 -1.26 -1.25 117.35 128.35 3jz4 s TYR 476 Ca 0.03 0.34 0.01 0.00 -2.44 0.00 0.00 57.07 55.01 3jz4 s TYR 476 Cb -0.13 -2.45 -0.01 0.00 0.35 0.00 0.00 41.96 39.71 3jz4 s TYR 476 CO -0.11 -0.10 -0.14 -1.64 -1.34 0.00 0.00 175.55 172.21 3jz4 s MET 477 N 1.62 3.23 -0.24 4.97 -1.94 0.82 -5.01 119.30 122.74 3jz4 s MET 477 Ca 0.12 -0.71 0.03 0.00 -1.71 0.00 0.00 55.69 53.42 3jz4 s MET 477 Cb -0.15 -2.56 0.05 0.00 2.01 0.00 0.00 34.83 34.18 3jz4 s MET 477 CO 0.09 0.26 -0.12 0.00 -0.01 0.00 0.00 175.02 175.24 3jz4 s ILE 479 N 1.15 5.39 -0.23 0.00 1.09 0.45 -4.93 121.20 124.12 3jz4 s ILE 479 Ca -0.07 0.19 -0.18 0.00 -1.10 0.00 0.00 60.65 59.49 3jz4 s ILE 479 Cb -0.19 -3.48 -0.03 0.00 -1.06 0.00 0.00 42.46 37.70 3jz4 s ILE 479 CO -0.06 0.39 0.53 -0.83 -0.10 0.00 0.00 174.94 174.87 3jz4 s GLY 480 N 0.71 1.96 0.00 6.18 0.00 -1.26 -0.99 107.32 113.91 3jz4 s GLY 480 Ca 0.08 -0.48 0.25 0.00 0.00 0.00 0.00 44.72 44.57 3jz4 s GLY 480 CO 0.01 1.17 1.42 1.04 0.00 0.00 0.00 173.10 176.74