#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de3 n VAL 2 N 0.00 -5.61 -2.51 0.00 0.31 -1.26 -0.24 118.33 109.01 1de3 n VAL 2 Ca 0.00 0.74 -0.40 0.00 -0.01 0.00 0.00 64.34 64.67 1de3 n VAL 2 Cb 0.00 -4.50 -0.03 0.00 -0.91 0.00 0.00 33.84 28.39 1de3 n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1de3 s THR 3 N -0.26 3.88 -0.68 2.52 2.01 -1.26 -0.69 115.64 121.16 1de3 s THR 3 Ca -0.06 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 60.93 1de3 s THR 3 Cb 0.00 -4.96 0.04 0.00 0.01 0.00 0.00 72.50 67.59 1de3 s THR 3 CO 0.23 -1.85 1.16 0.26 -0.69 0.00 0.00 174.62 173.74 1de3 s TRP 4 N 5.46 2.47 -0.21 4.92 0.52 0.12 -3.84 118.94 128.37 1de3 s TRP 4 Ca 0.48 -0.08 -0.08 0.00 0.02 0.00 0.00 56.10 56.44 1de3 s TRP 4 Cb -0.01 -4.48 -0.04 0.00 -1.15 0.00 0.00 33.47 27.79 1de3 s TRP 4 CO -0.09 -1.83 0.08 0.99 0.02 0.00 0.00 176.95 176.12 1de3 s THR 5 N 5.07 4.75 -0.06 2.01 2.01 -0.19 -0.16 115.64 129.07 1de3 s THR 5 Ca 0.33 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1de3 s THR 5 Cb -0.10 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1de3 s THR 5 CO 0.16 0.40 -0.18 0.00 -0.69 0.00 0.00 174.62 174.30 1de3 s LEU 7 N -0.46 6.53 0.26 0.00 1.43 -1.26 0.44 118.68 125.62 1de3 s LEU 7 Ca 0.05 -3.16 -0.05 0.00 -1.03 0.00 0.00 54.13 49.94 1de3 s LEU 7 Cb -0.12 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1de3 s LEU 7 CO 0.02 -0.42 0.51 0.20 0.23 0.00 0.00 176.35 176.89 1de3 s ASN 8 N 1.69 6.46 -0.11 2.29 -0.87 -1.16 -4.66 114.94 118.58 1de3 s ASN 8 Ca 0.24 0.68 -0.10 0.00 -1.57 0.00 0.00 52.86 52.11 1de3 s ASN 8 Cb -0.10 -2.13 -0.05 0.00 -0.02 0.00 0.00 41.25 38.96 1de3 s ASN 8 CO -0.08 -0.14 0.23 -0.62 -2.57 0.00 0.00 177.10 173.92 1de3 s ASP 9 N -3.00 6.46 -0.05 -1.22 -1.08 -1.26 -2.02 116.67 114.50 1de3 s ASP 9 Ca 0.43 0.55 0.01 0.00 -0.52 0.00 0.00 52.55 53.02 1de3 s ASP 9 Cb -0.11 -2.13 0.02 0.00 -1.46 0.00 0.00 42.92 39.24 1de3 s ASP 9 CO 0.28 0.30 -0.05 -1.10 0.52 0.00 0.00 175.17 175.12 1de3 s GLN 10 N -0.55 0.91 -1.33 4.34 -0.21 0.91 -0.38 119.66 123.36 1de3 s GLN 10 Ca 0.16 -0.10 -0.17 0.00 0.02 0.00 0.00 55.36 55.27 1de3 s GLN 10 Cb -0.13 -0.95 0.04 0.00 1.00 0.00 0.00 33.01 32.97 1de3 s GLN 10 CO 0.05 -0.12 1.94 1.17 -2.12 0.00 0.00 175.29 176.21 1de3 n LYS 11 N 4.26 2.89 -1.69 2.91 4.81 -1.26 -0.34 118.16 129.74 1de3 n LYS 11 Ca -0.21 -2.91 -0.60 0.00 -0.87 0.00 0.00 58.31 53.72 1de3 n LYS 11 Cb 0.51 -3.41 -0.08 0.00 0.02 0.00 0.00 35.03 32.07 1de3 n LYS 11 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1de3 n ASN 12 N 7.91 1.81 0.18 3.14 5.15 0.24 -4.67 115.26 129.02 1de3 n ASN 12 Ca 0.50 1.12 0.03 0.00 -0.60 0.00 0.00 54.58 55.63 1de3 n ASN 12 Cb 0.43 -1.06 0.33 0.00 -0.53 0.00 0.00 39.78 38.95 1de3 n ASN 12 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1de3 h PRO 13 N 6.01 0.00 0.10 1.20 0.13 -1.93 0.22 132.00 137.73 1de3 h PRO 13 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1de3 h PRO 13 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1de3 h PRO 13 CO 0.92 0.42 -0.05 -0.22 -0.23 0.00 0.00 178.00 178.84 1de3 h LYS 14 N 0.00 -0.13 -0.02 0.86 3.11 -1.96 -3.05 116.57 115.39 1de3 h LYS 14 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1de3 h LYS 14 Cb 0.83 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1de3 h LYS 14 CO 0.05 0.08 -0.08 0.25 -2.81 0.00 0.00 179.45 176.95 1de3 n THR 15 N -5.06 0.00 -2.58 1.00 -2.24 -1.21 -4.95 114.28 99.25 1de3 n THR 15 Ca -0.08 -0.30 -0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1de3 n THR 15 Cb 0.15 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1de3 n THR 15 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1de3 n ASN 16 N 0.35 -2.12 -4.15 3.42 0.23 0.74 -4.88 115.26 108.84 1de3 n ASN 16 Ca 0.16 0.31 -0.11 0.00 -0.53 0.00 0.00 54.58 54.40 1de3 n ASN 16 Cb 0.43 -1.89 -0.10 0.00 -2.08 0.00 0.00 39.78 36.14 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1de3 s LYS 17 N -5.12 0.78 -0.09 -3.83 2.20 -0.96 -4.89 119.74 107.83 1de3 s LYS 17 Ca 0.04 -1.22 -0.27 0.00 -0.36 0.00 0.00 55.97 54.16 1de3 s LYS 17 Cb -0.02 -0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.03 1de3 s LYS 17 CO 0.05 0.00 0.89 0.71 -0.36 0.00 0.00 175.35 176.64 1de3 s TYR 18 N -3.15 3.53 0.02 4.03 2.02 -1.26 -0.59 117.35 121.95 1de3 s TYR 18 Ca 0.08 1.46 0.04 0.00 -0.37 0.00 0.00 57.07 58.28 1de3 s TYR 18 Cb 0.02 -3.05 -0.02 0.00 -0.40 0.00 0.00 41.96 38.52 1de3 s TYR 18 CO -0.04 -0.12 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.48 1de3 s GLU 19 N 1.58 0.97 -1.06 -0.62 2.02 0.54 -4.90 118.70 117.22 1de3 s GLU 19 Ca 0.44 -0.61 -0.09 0.00 0.02 0.00 0.00 54.97 54.73 1de3 s GLU 19 Cb -0.18 -0.95 0.27 0.00 0.10 0.00 0.00 34.13 33.36 1de3 s GLU 19 CO 0.19 0.25 1.05 0.99 0.02 0.00 0.00 175.26 177.75 1de3 s THR 20 N -0.60 5.82 0.94 3.63 2.01 -1.26 -0.06 115.64 126.12 1de3 s THR 20 Ca 0.03 -3.37 -0.12 0.00 0.31 0.00 0.00 61.69 58.54 1de3 s THR 20 Cb -0.06 -4.51 0.15 0.00 0.01 0.00 0.00 72.50 68.09 1de3 s THR 20 CO 0.00 -1.16 1.10 -0.54 -0.69 0.00 0.00 174.62 173.34 1de3 s LYS 21 N -1.12 0.91 -0.47 4.92 -0.14 -0.86 -4.85 119.74 118.13 1de3 s LYS 21 Ca 0.29 0.52 -0.10 0.00 -1.36 0.00 0.00 55.97 55.32 1de3 s LYS 21 Cb -0.10 -1.79 0.11 0.00 -1.68 0.00 0.00 37.83 34.37 1de3 s LYS 21 CO -0.08 -2.41 0.34 1.03 -0.76 0.00 0.00 175.35 173.47 1de3 s ARG 22 N -5.06 2.60 -1.04 1.68 0.52 -1.26 -2.98 118.95 113.41 1de3 s ARG 22 Ca 0.64 -1.66 -0.21 0.00 -0.52 0.00 0.00 55.73 53.99 1de3 s ARG 22 Cb -0.17 -3.94 0.08 0.00 0.52 0.00 0.00 34.95 31.44 1de3 s ARG 22 CO 0.56 -1.14 1.40 -0.51 0.02 0.00 0.00 175.30 175.63 1de3 s LEU 23 N 1.42 4.07 0.04 2.53 1.02 0.17 -4.90 118.68 123.04 1de3 s LEU 23 Ca 0.05 -1.85 -0.30 0.00 0.02 0.00 0.00 54.13 52.05 1de3 s LEU 23 Cb -0.26 -2.51 -0.05 0.00 0.02 0.00 0.00 46.19 43.39 1de3 s LEU 23 CO 0.01 -1.29 1.13 -0.22 0.02 0.00 0.00 176.35 176.00 1de3 s LEU 24 N 4.03 4.37 -0.22 1.79 1.98 -1.26 0.00 118.68 129.36 1de3 s LEU 24 Ca 0.43 1.90 -0.03 0.00 -2.89 0.00 0.00 54.13 53.54 1de3 s LEU 24 Cb -0.01 -3.58 0.07 0.00 0.66 0.00 0.00 46.19 43.34 1de3 s LEU 24 CO -0.07 -0.41 0.06 -0.31 -1.89 0.00 0.00 176.35 173.74 1de3 s TYR 25 N 1.08 0.99 -0.67 5.38 1.51 0.77 -4.74 117.35 121.67 1de3 s TYR 25 Ca 0.57 -0.96 -0.27 0.00 -1.01 0.00 0.00 57.07 55.39 1de3 s TYR 25 Cb -0.27 -1.10 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1de3 s TYR 25 CO 0.29 -0.67 1.48 1.21 -1.11 0.00 0.00 175.55 176.75 1de3 s ASN 26 N 1.87 5.88 0.56 2.29 3.04 -1.26 0.11 114.94 127.43 1de3 s ASN 26 Ca 0.02 -0.06 0.44 0.00 0.04 0.00 0.00 52.86 53.30 1de3 s ASN 26 Cb -0.17 -2.55 1.65 0.00 -1.54 0.00 0.00 41.25 38.64 1de3 s ASN 26 CO -0.14 -1.98 1.66 -0.61 -3.04 0.00 0.00 177.10 172.99 1de3 h GLN 27 N 11.74 0.00 -1.21 0.43 -0.00 -0.66 0.58 115.11 126.00 1de3 h GLN 27 Ca -0.27 0.00 0.42 0.00 -0.00 0.00 0.00 58.65 58.80 1de3 h GLN 27 Cb 1.09 0.00 -0.12 0.00 0.00 0.00 0.00 27.48 28.45 1de3 h GLN 27 CO 1.24 0.00 0.77 -1.71 0.00 0.00 0.00 178.83 179.13 1de3 n ASN 28 N -4.01 0.19 0.02 -0.69 5.15 0.66 0.96 115.26 117.54 1de3 n ASN 28 Ca 0.36 1.22 -0.21 0.00 -0.60 0.00 0.00 54.58 55.36 1de3 n ASN 28 Cb 1.70 -0.60 -0.14 0.00 -0.53 0.00 0.00 39.78 40.21 1de3 n ASN 28 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1de3 h LYS 29 N 0.00 0.27 -0.86 1.20 1.57 -1.18 -3.26 116.57 114.31 1de3 h LYS 29 Ca 0.77 -0.46 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1de3 h LYS 29 Cb 2.49 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 34.93 1de3 h LYS 29 CO -0.41 1.19 0.56 0.00 -0.57 0.00 0.00 179.45 180.22 1de3 h ALA 30 N 0.15 1.10 -0.60 3.86 0.00 -0.84 0.62 119.26 123.55 1de3 h ALA 30 Ca -0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1de3 h ALA 30 Cb 2.04 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1de3 h ALA 30 CO 0.10 0.46 0.34 1.05 0.00 0.00 0.00 179.25 181.20 1de3 h GLU 31 N 1.13 0.81 0.14 0.00 -0.00 0.43 -1.11 114.58 115.98 1de3 h GLU 31 Ca 0.32 -0.07 -0.33 0.00 -0.00 0.00 0.00 59.36 59.28 1de3 h GLU 31 Cb -0.08 -0.17 -0.00 0.00 -0.00 0.00 0.00 28.75 28.49 1de3 h GLU 31 CO -0.09 0.58 -1.67 1.03 -0.00 0.00 0.00 179.01 178.87 1de3 h SER 32 N 0.82 0.47 -0.67 3.06 0.87 -1.28 -2.28 113.55 114.55 1de3 h SER 32 Ca 0.21 -0.70 0.09 0.00 -1.23 0.00 0.00 61.79 60.16 1de3 h SER 32 Cb -0.00 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 61.74 1de3 h SER 32 CO -0.04 1.60 0.31 0.78 -0.53 0.00 0.00 176.83 178.95 1de3 h ASN 33 N 0.08 0.38 0.06 6.23 4.21 0.33 -0.12 115.58 126.77 1de3 h ASN 33 Ca -0.30 0.06 -0.17 0.00 1.21 0.00 0.00 56.30 57.10 1de3 h ASN 33 Cb 2.05 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.25 1de3 h ASN 33 CO 0.16 0.22 -0.62 0.77 -1.29 0.00 0.00 177.43 176.67 1de3 h SER 34 N 0.54 0.62 0.27 5.81 4.64 -1.28 -0.65 113.55 123.50 1de3 h SER 34 Ca 0.33 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1de3 h SER 34 Cb 0.36 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1de3 h SER 34 CO -0.27 1.09 -0.05 0.45 -0.87 0.00 0.00 176.83 177.18 1de3 h HIS 35 N 0.40 0.00 0.00 4.77 3.86 -0.61 -3.06 115.15 120.52 1de3 h HIS 35 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1de3 h HIS 35 Cb 1.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 1de3 h HIS 35 CO 0.05 0.05 -0.54 0.45 0.86 0.00 0.00 177.93 178.80 1de3 h HIS 36 N 0.00 0.00 -1.66 2.45 -0.00 -0.88 -3.48 115.15 111.59 1de3 h HIS 36 Ca -0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 60.37 59.69 1de3 h HIS 36 Cb 0.20 0.00 0.06 0.00 -0.00 0.00 0.00 27.41 27.66 1de3 h HIS 36 CO 0.00 0.31 0.41 0.00 -0.00 0.00 0.00 177.93 178.65 1de3 n ALA 37 N -3.42 -1.13 -2.24 2.45 0.00 -0.27 -4.89 120.51 111.02 1de3 n ALA 37 Ca -0.11 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1de3 n ALA 37 Cb 0.31 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 1de3 n ALA 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1de3 s PRO 38 N 0.37 4.34 -1.00 0.00 0.04 -1.26 -4.88 135.00 132.61 1de3 s PRO 38 Ca 0.84 1.99 -0.24 0.00 0.04 0.00 0.00 61.00 63.63 1de3 s PRO 38 Cb -0.97 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 1de3 s PRO 38 CO 0.48 -0.42 1.91 -0.51 0.04 0.00 0.00 177.00 178.51 1de3 s LEU 39 N 1.29 3.17 0.13 -3.56 1.43 -1.26 -4.33 118.68 115.54 1de3 s LEU 39 Ca 0.63 -1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 1de3 s LEU 39 Cb -0.34 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 43.36 1de3 s LEU 39 CO 0.29 -2.74 0.49 -0.94 0.23 0.00 0.00 176.35 173.68 1de3 s SER 40 N 7.34 -0.38 -0.23 2.29 1.04 -1.26 -5.04 113.70 117.45 1de3 s SER 40 Ca 0.68 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.89 1de3 s SER 40 Cb -0.04 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1de3 s SER 40 CO 0.03 -0.88 0.11 -0.62 0.98 0.00 0.00 173.24 172.86 1de3 s ASP 41 N -2.67 5.62 -0.82 7.02 2.15 -1.20 -4.16 116.67 122.61 1de3 s ASP 41 Ca 0.01 -0.03 -0.07 0.00 0.43 0.00 0.00 52.55 52.90 1de3 s ASP 41 Cb 0.00 -2.00 0.01 0.00 -0.30 0.00 0.00 42.92 40.63 1de3 s ASP 41 CO -0.11 0.04 0.56 0.61 -0.17 0.00 0.00 175.17 176.10 1de3 n GLY 42 N 4.43 -1.11 1.18 2.66 0.00 -0.99 -4.48 105.19 106.88 1de3 n GLY 42 Ca -0.16 0.50 0.01 0.00 0.00 0.00 0.00 46.02 46.37 1de3 n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1de3 n LYS 43 N -2.91 0.00 -4.36 1.61 4.81 -1.26 -5.02 118.16 111.03 1de3 n LYS 43 Ca -0.26 -1.52 -0.21 0.00 -0.87 0.00 0.00 58.31 55.45 1de3 n LYS 43 Cb 0.61 0.01 -0.08 0.00 0.02 0.00 0.00 35.03 35.59 1de3 n LYS 43 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1de3 s THR 44 N 0.00 0.19 0.00 3.15 2.01 -1.26 -5.02 115.64 114.71 1de3 s THR 44 Ca 0.20 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.20 1de3 s THR 44 Cb 0.23 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1de3 s THR 44 CO -0.10 0.00 0.98 0.61 -0.69 0.00 0.00 174.62 175.42 1de3 n GLY 45 N -0.71 -2.63 0.00 4.40 0.00 -1.16 -1.83 105.19 103.26 1de3 n GLY 45 Ca 0.03 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1de3 n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de3 n SER 46 N -2.18 0.00 0.00 1.61 3.41 0.01 -3.91 113.62 112.56 1de3 n SER 46 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1de3 n SER 46 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1de3 n SER 46 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1de3 n SER 47 N -1.28 -2.83 -4.59 4.04 2.88 -0.76 -5.05 113.62 106.03 1de3 n SER 47 Ca 0.04 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.26 1de3 n SER 47 Cb 0.07 -0.47 -0.11 0.00 -0.75 0.00 0.00 64.21 62.96 1de3 n SER 47 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1de3 s TYR 48 N -2.00 2.88 0.15 0.66 2.02 -1.26 -3.39 117.35 116.41 1de3 s TYR 48 Ca 0.00 -0.04 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 1de3 s TYR 48 Cb 0.00 -1.61 -0.07 0.00 -0.40 0.00 0.00 41.96 39.88 1de3 s TYR 48 CO 0.00 0.36 0.96 -1.25 -1.57 0.00 0.00 175.55 174.05 1de3 s PRO 49 N -1.35 4.75 0.17 -1.71 0.04 -1.26 -4.56 135.00 131.08 1de3 s PRO 49 Ca 0.16 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 1de3 s PRO 49 Cb -0.11 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1de3 s PRO 49 CO 0.07 0.30 0.39 -3.38 0.04 0.00 0.00 177.00 174.42 1de3 s HIS 50 N -0.37 3.48 0.21 0.56 -3.43 -0.55 -2.34 115.29 112.84 1de3 s HIS 50 Ca 0.45 0.49 -0.31 0.00 -0.80 0.00 0.00 55.06 54.90 1de3 s HIS 50 Cb -0.24 -1.96 -0.10 0.00 -1.43 0.00 0.00 32.58 28.85 1de3 s HIS 50 CO 0.31 0.40 1.50 -0.46 -2.00 0.00 0.00 174.74 174.48 1de3 s TRP 51 N -1.76 3.04 -0.75 0.38 -0.00 -1.26 -0.15 118.94 118.45 1de3 s TRP 51 Ca 0.40 0.84 -0.15 0.00 -0.00 0.00 0.00 56.10 57.19 1de3 s TRP 51 Cb -0.12 -3.87 0.18 0.00 -0.00 0.00 0.00 33.47 29.67 1de3 s TRP 51 CO 0.26 -3.00 0.72 0.12 -0.00 0.00 0.00 176.95 175.06 1de3 s PHE 52 N 0.55 3.54 0.44 5.86 5.36 -0.36 -4.74 117.98 128.63 1de3 s PHE 52 Ca 0.64 -1.71 0.33 0.00 -0.96 0.00 0.00 56.93 55.24 1de3 s PHE 52 Cb -0.43 -3.86 1.49 0.00 -0.34 0.00 0.00 43.02 39.88 1de3 s PHE 52 CO 0.37 -1.05 1.54 0.25 -1.46 0.00 0.00 175.22 174.87 1de3 n THR 53 N 4.50 -0.24 -2.33 0.12 -2.24 -1.26 -4.61 114.28 108.22 1de3 n THR 53 Ca 0.06 1.77 -0.11 0.00 -2.27 0.00 0.00 64.05 63.50 1de3 n THR 53 Cb 0.45 -2.90 -0.01 0.00 -2.10 0.00 0.00 70.33 65.77 1de3 n THR 53 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1de3 n ASN 54 N -4.65 -3.49 0.00 3.42 5.15 -1.26 0.43 115.26 114.85 1de3 n ASN 54 Ca 0.40 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1de3 n ASN 54 Cb 1.58 -3.02 0.00 0.00 -0.53 0.00 0.00 39.78 37.81 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1de3 n GLY 55 N -0.71 2.98 3.41 8.20 0.00 -1.26 -3.74 105.19 114.07 1de3 n GLY 55 Ca -0.13 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1de3 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1de3 n TYR 56 N 0.00 -1.30 0.17 1.61 4.01 0.17 -3.95 117.16 117.87 1de3 n TYR 56 Ca 0.00 0.22 0.12 0.00 -0.16 0.00 0.00 57.90 58.08 1de3 n TYR 56 Cb 0.00 -1.77 0.02 0.00 -0.31 0.00 0.00 39.34 37.29 1de3 n TYR 56 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1de3 h ASP 57 N -1.68 0.00 0.00 7.72 3.32 -1.38 -3.45 116.42 120.96 1de3 h ASP 57 Ca -0.45 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1de3 h ASP 57 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1de3 h ASP 57 CO 0.35 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 1de3 n GLY 58 N 1.20 1.27 1.59 2.75 0.00 -1.26 -5.01 105.19 105.72 1de3 n GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1de3 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1de3 n ASP 59 N 0.00 0.00 0.00 1.61 -0.08 -1.23 -4.36 116.55 112.49 1de3 n ASP 59 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1de3 n ASP 59 Cb 0.00 0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1de3 n GLY 60 N -1.09 1.75 3.72 0.27 0.00 -1.26 -4.01 105.19 104.58 1de3 n GLY 60 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1de3 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1de3 s LYS 61 N 0.00 1.57 0.08 1.61 -2.85 -1.26 -4.81 119.74 114.08 1de3 s LYS 61 Ca 0.00 1.13 0.09 0.00 -1.00 0.00 0.00 55.97 56.19 1de3 s LYS 61 Cb 0.00 -1.82 -0.03 0.00 -2.06 0.00 0.00 37.83 33.91 1de3 s LYS 61 CO 0.00 -2.11 -0.23 -0.51 0.10 0.00 0.00 175.35 172.60 1de3 s LEU 62 N -6.21 2.40 0.00 2.77 1.02 -1.26 -1.11 118.68 116.29 1de3 s LEU 62 Ca 0.63 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 54.20 1de3 s LEU 62 Cb -0.19 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.65 1de3 s LEU 62 CO 0.57 0.23 0.00 -0.81 0.02 0.00 0.00 176.35 176.36 1de3 n PRO 63 N 1.36 0.93 -1.24 1.29 -0.04 -1.25 -4.81 135.00 131.23 1de3 n PRO 63 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 1de3 n PRO 63 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 1de3 n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1de3 n LYS 64 N -0.05 2.75 0.00 0.54 3.00 -1.26 -3.26 118.16 119.87 1de3 n LYS 64 Ca 0.00 -2.06 0.00 0.00 -0.00 0.00 0.00 58.31 56.25 1de3 n LYS 64 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 35.03 32.18 1de3 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1de3 n GLY 65 N 3.90 -0.41 3.55 3.14 0.00 -1.26 -5.11 105.19 109.00 1de3 n GLY 65 Ca 0.59 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 46.34 1de3 n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de3 n ARG 66 N 0.00 1.34 -3.01 1.61 0.00 -1.20 -4.84 116.66 110.56 1de3 n ARG 66 Ca 0.00 0.25 -0.15 0.00 -0.00 0.00 0.00 57.85 57.95 1de3 n ARG 66 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 32.46 29.38 1de3 n ARG 66 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1de3 n THR 67 N 7.76 -0.11 -2.33 5.15 5.66 -1.26 -5.12 114.28 124.02 1de3 n THR 67 Ca 0.37 -3.39 -0.42 0.00 -3.05 0.00 0.00 64.05 57.55 1de3 n THR 67 Cb 0.43 0.38 -0.03 0.00 -1.55 0.00 0.00 70.33 69.57 1de3 n THR 67 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1de3 s PRO 68 N -1.37 4.28 -0.34 1.09 0.04 -1.25 -4.62 135.00 132.83 1de3 s PRO 68 Ca 0.33 1.81 -0.38 0.00 0.04 0.00 0.00 61.00 62.81 1de3 s PRO 68 Cb 0.32 -3.67 -0.13 0.00 0.04 0.00 0.00 34.50 31.06 1de3 s PRO 68 CO -0.07 -0.61 2.06 -0.89 0.04 0.00 0.00 177.00 177.53 1de3 n ILE 69 N 4.96 0.21 -2.65 0.56 5.41 -1.26 -4.86 119.36 121.73 1de3 n ILE 69 Ca 0.13 -0.17 -0.42 0.00 1.00 0.00 0.00 62.75 63.30 1de3 n ILE 69 Cb 0.45 -1.40 -0.03 0.00 -0.71 0.00 0.00 39.64 37.94 1de3 n ILE 69 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1de3 s LYS 70 N 5.41 3.49 0.38 0.38 2.47 -1.26 -4.82 119.74 125.79 1de3 s LYS 70 Ca 1.07 -1.09 0.10 0.00 -1.56 0.00 0.00 55.97 54.50 1de3 s LYS 70 Cb -0.99 -5.00 0.75 0.00 -1.46 0.00 0.00 37.83 31.14 1de3 s LYS 70 CO 0.56 -2.08 1.88 0.74 0.16 0.00 0.00 175.35 176.60 1de3 h PHE 71 N 9.62 0.17 0.00 4.03 -1.00 -1.95 -3.47 116.94 124.34 1de3 h PHE 71 Ca 0.08 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1de3 h PHE 71 Cb 1.02 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.54 1de3 h PHE 71 CO 1.21 0.38 0.00 0.41 -1.61 0.00 0.00 178.31 178.70 1de3 n GLY 72 N -0.71 1.45 3.29 -1.45 0.00 -1.26 -4.97 105.19 101.53 1de3 n GLY 72 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1de3 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de3 s LYS 73 N -0.10 1.17 0.05 1.61 1.02 -1.26 -5.03 119.74 117.19 1de3 s LYS 73 Ca 0.00 -1.16 0.26 0.00 0.02 0.00 0.00 55.97 55.10 1de3 s LYS 73 Cb 0.00 -1.44 0.79 0.00 -0.52 0.00 0.00 37.83 36.66 1de3 s LYS 73 CO 0.00 0.34 1.64 0.45 -0.92 0.00 0.00 175.35 176.85 1de3 n SER 74 N 1.14 0.39 -0.07 2.83 2.88 -1.26 -2.47 113.62 117.06 1de3 n SER 74 Ca -0.19 0.20 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1de3 n SER 74 Cb 0.53 -0.18 -0.12 0.00 -0.75 0.00 0.00 64.21 63.69 1de3 n SER 74 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1de3 n ASP 75 N -1.70 1.96 0.18 -3.46 9.92 -1.26 -2.26 116.55 119.94 1de3 n ASP 75 Ca 0.06 0.34 0.03 0.00 -0.53 0.00 0.00 54.79 54.68 1de3 n ASP 75 Cb 0.37 -0.92 0.35 0.00 -0.64 0.00 0.00 41.12 40.28 1de3 n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1de3 h ASP 77 N 0.00 0.00 -3.78 0.00 3.58 -1.63 -3.48 116.42 111.11 1de3 h ASP 77 Ca -0.00 -0.01 -0.53 0.00 0.42 0.00 0.00 57.03 56.91 1de3 h ASP 77 Cb 0.71 0.00 0.21 0.00 1.72 0.00 0.00 39.33 41.97 1de3 h ASP 77 CO 0.05 0.00 -0.23 -2.11 -2.88 0.00 0.00 179.24 174.08 1de3 n ARG 78 N -2.56 -0.36 -2.14 0.28 1.85 -0.72 -4.94 116.66 108.07 1de3 n ARG 78 Ca 0.05 -0.05 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 1de3 n ARG 78 Cb 0.47 -2.09 -0.03 0.00 -1.05 0.00 0.00 32.46 29.77 1de3 n ARG 78 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1de3 s PRO 79 N -4.07 4.00 -0.02 2.89 0.04 -1.26 -4.97 135.00 131.61 1de3 s PRO 79 Ca 0.61 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 1de3 s PRO 79 Cb -0.22 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 1de3 s PRO 79 CO 0.63 -1.04 1.11 -1.25 0.04 0.00 0.00 177.00 176.50 1de3 s PRO 80 N 4.24 4.43 -1.16 0.56 0.04 -1.26 -4.87 135.00 136.99 1de3 s PRO 80 Ca 0.69 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 1de3 s PRO 80 Cb -0.27 -3.48 0.23 0.00 0.04 0.00 0.00 34.50 31.02 1de3 s PRO 80 CO 0.27 -0.29 2.07 1.17 0.04 0.00 0.00 177.00 180.26 1de3 n LYS 81 N 4.56 5.07 -2.53 4.56 4.81 -1.26 -3.50 118.16 129.87 1de3 n LYS 81 Ca 0.09 -4.14 -0.43 0.00 -0.87 0.00 0.00 58.31 52.96 1de3 n LYS 81 Cb 0.48 -2.54 -0.02 0.00 0.02 0.00 0.00 35.03 32.96 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1de3 s HIS 82 N -2.91 2.99 0.00 5.64 5.65 -1.26 -3.88 115.29 121.52 1de3 s HIS 82 Ca 0.46 1.12 0.00 0.00 0.25 0.00 0.00 55.06 56.88 1de3 s HIS 82 Cb 0.19 -3.60 0.00 0.00 -1.18 0.00 0.00 32.58 27.98 1de3 s HIS 82 CO -0.11 -1.21 0.00 0.45 -0.65 0.00 0.00 174.74 173.22 1de3 n SER 83 N 6.86 0.00 0.29 9.88 2.88 -1.26 -4.62 113.62 127.66 1de3 n SER 83 Ca 0.13 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.55 1de3 n SER 83 Cb 0.46 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1de3 n SER 83 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1de3 h LYS 84 N 0.00 -0.74 -0.90 -1.46 3.64 -1.96 -3.24 116.57 111.91 1de3 h LYS 84 Ca 0.00 0.05 -0.49 0.00 -1.27 0.00 0.00 60.65 58.94 1de3 h LYS 84 Cb 0.00 0.17 -0.28 0.00 -0.41 0.00 0.00 32.23 31.71 1de3 h LYS 84 CO 0.00 -0.49 0.56 -0.25 -2.27 0.00 0.00 179.45 176.99 1de3 n ASP 85 N -4.52 4.07 -3.90 4.20 9.92 -1.26 -4.90 116.55 120.15 1de3 n ASP 85 Ca -0.10 -3.66 -0.31 0.00 -0.53 0.00 0.00 54.79 50.19 1de3 n ASP 85 Cb 0.30 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de3 n GLY 86 N -1.11 -0.58 2.71 0.44 0.00 -1.22 -3.20 105.19 102.22 1de3 n GLY 86 Ca 0.56 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.76 1de3 n GLY 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1de3 s ASN 87 N -3.93 -0.34 0.00 1.61 3.84 -1.26 -3.62 114.94 111.24 1de3 s ASN 87 Ca 0.24 -1.98 0.00 0.00 0.21 0.00 0.00 52.86 51.33 1de3 s ASN 87 Cb -0.10 1.10 0.00 0.00 -0.55 0.00 0.00 41.25 41.70 1de3 s ASN 87 CO 0.90 -0.12 0.00 0.61 -2.79 0.00 0.00 177.10 175.70 1de3 n GLY 88 N 3.24 6.28 0.13 1.21 0.00 -1.26 -4.75 105.19 110.04 1de3 n GLY 88 Ca 0.20 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 1de3 n GLY 88 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1de3 h LYS 89 N 0.00 0.06 -1.22 1.61 3.64 -2.01 -3.36 116.57 115.30 1de3 h LYS 89 Ca 0.00 -0.05 -0.39 0.00 -1.27 0.00 0.00 60.65 58.94 1de3 h LYS 89 Cb 0.00 0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 31.53 1de3 h LYS 89 CO 0.00 0.73 -0.90 0.25 -2.27 0.00 0.00 179.45 177.26 1de3 n THR 90 N -3.73 -0.14 -0.72 1.00 -2.24 -1.26 -5.01 114.28 102.18 1de3 n THR 90 Ca -0.01 -3.34 -0.14 0.00 -2.27 0.00 0.00 64.05 58.28 1de3 n THR 90 Cb 0.68 0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 1de3 n THR 90 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1de3 n ASP 91 N 0.45 4.24 -2.32 3.42 5.75 -1.25 -4.57 116.55 122.27 1de3 n ASP 91 Ca 0.17 -2.22 -0.19 0.00 -0.01 0.00 0.00 54.79 52.55 1de3 n ASP 91 Cb 0.66 -1.02 -0.13 0.00 -1.03 0.00 0.00 41.12 39.60 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1de3 n HIS 92 N 3.18 0.62 -3.50 2.11 1.44 -1.26 -4.76 115.22 113.05 1de3 n HIS 92 Ca 0.36 -1.88 -0.30 0.00 -2.01 0.00 0.00 57.72 53.90 1de3 n HIS 92 Cb 0.44 -1.78 -0.04 0.00 0.12 0.00 0.00 29.99 28.73 1de3 n HIS 92 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1de3 s TYR 93 N 1.07 3.47 -0.56 -1.40 -0.85 -1.26 -4.05 117.35 113.76 1de3 s TYR 93 Ca 0.67 0.60 -0.28 0.00 -0.52 0.00 0.00 57.07 57.54 1de3 s TYR 93 Cb 0.29 -2.06 0.01 0.00 0.38 0.00 0.00 41.96 40.58 1de3 s TYR 93 CO -0.03 0.29 1.46 -0.51 -1.52 0.00 0.00 175.55 175.25 1de3 s LEU 94 N -3.17 3.39 0.35 -3.49 1.43 -1.26 -3.94 118.68 111.99 1de3 s LEU 94 Ca 0.43 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.78 1de3 s LEU 94 Cb -0.11 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1de3 s LEU 94 CO 0.27 -1.77 0.62 -1.48 0.23 0.00 0.00 176.35 174.22 1de3 s LEU 95 N 6.32 3.94 -0.04 1.79 0.05 -0.99 -1.23 118.68 128.52 1de3 s LEU 95 Ca 0.54 0.75 0.06 0.00 0.05 0.00 0.00 54.13 55.53 1de3 s LEU 95 Cb -0.11 -3.61 -0.02 0.00 -2.05 0.00 0.00 46.19 40.40 1de3 s LEU 95 CO 0.24 -0.31 -0.23 -0.70 -0.55 0.00 0.00 176.35 174.80 1de3 s GLU 96 N -3.97 2.39 -0.00 1.48 2.12 0.79 -3.09 118.70 118.42 1de3 s GLU 96 Ca 0.45 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.94 1de3 s GLU 96 Cb -0.10 -2.16 -0.01 0.00 0.26 0.00 0.00 34.13 32.11 1de3 s GLU 96 CO 0.34 0.49 -0.13 0.12 -0.54 0.00 0.00 175.26 175.54 1de3 s PHE 97 N -0.41 1.12 -0.91 5.30 5.36 -0.68 -1.48 117.98 126.29 1de3 s PHE 97 Ca 0.04 -0.22 -0.24 0.00 -0.96 0.00 0.00 56.93 55.54 1de3 s PHE 97 Cb -0.12 -0.72 -0.02 0.00 -0.34 0.00 0.00 43.02 41.82 1de3 s PHE 97 CO 0.01 -0.01 1.82 -1.25 -1.46 0.00 0.00 175.22 174.33 1de3 s PRO 98 N -0.37 2.79 -0.29 10.12 0.04 -1.26 -0.68 135.00 145.35 1de3 s PRO 98 Ca 0.04 -0.42 -0.23 0.00 0.04 0.00 0.00 61.00 60.44 1de3 s PRO 98 Cb -0.05 -5.07 -0.00 0.00 0.04 0.00 0.00 34.50 29.41 1de3 s PRO 98 CO -0.00 -3.07 0.77 -0.08 0.04 0.00 0.00 177.00 174.66 1de3 s THR 99 N 8.84 4.83 0.40 1.26 -1.32 -1.18 -4.79 115.64 123.67 1de3 s THR 99 Ca 0.64 1.22 -0.13 0.00 -1.21 0.00 0.00 61.69 62.21 1de3 s THR 99 Cb -0.06 -4.11 -0.07 0.00 -1.51 0.00 0.00 72.50 66.75 1de3 s THR 99 CO -0.01 -0.19 0.79 -0.36 -2.21 0.00 0.00 174.62 172.64 1de3 s PHE 100 N 2.87 3.44 0.06 9.09 0.40 -1.26 -4.46 117.98 128.12 1de3 s PHE 100 Ca 0.32 1.15 -0.15 0.00 -0.60 0.00 0.00 56.93 57.65 1de3 s PHE 100 Cb -0.14 -2.52 -0.25 0.00 0.51 0.00 0.00 43.02 40.62 1de3 s PHE 100 CO 0.11 -0.09 1.16 -1.00 0.70 0.00 0.00 175.22 176.10 1de3 h PRO 101 N 1.49 0.66 -1.28 0.24 0.13 -1.92 -3.04 132.00 128.27 1de3 h PRO 101 Ca -0.47 -0.74 0.37 0.00 -0.87 0.00 0.00 66.00 64.29 1de3 h PRO 101 Cb 1.18 0.22 -0.07 0.00 0.13 0.00 0.00 31.00 32.46 1de3 h PRO 101 CO 0.64 1.32 0.90 -0.44 -0.23 0.00 0.00 178.00 180.18 1de3 h ASP 102 N 0.31 0.12 0.00 1.44 3.32 -1.96 -3.43 116.42 116.22 1de3 h ASP 102 Ca -0.14 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1de3 h ASP 102 Cb 1.70 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.27 1de3 h ASP 102 CO 0.20 -0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 1de3 n GLY 103 N -1.70 0.69 3.82 2.75 0.00 -1.15 -5.06 105.19 104.54 1de3 n GLY 103 Ca 0.30 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1de3 n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1de3 s HIS 104 N -2.00 3.18 -1.09 1.61 -3.43 -1.26 -4.91 115.29 107.39 1de3 s HIS 104 Ca 0.00 1.43 -0.09 0.00 -0.80 0.00 0.00 55.06 55.60 1de3 s HIS 104 Cb 0.00 -2.88 0.27 0.00 -1.43 0.00 0.00 32.58 28.54 1de3 s HIS 104 CO 0.00 -1.06 1.08 0.16 -2.00 0.00 0.00 174.74 172.93 1de3 s ASP 105 N -3.56 7.26 0.18 7.38 -4.77 -1.26 -4.39 116.67 117.51 1de3 s ASP 105 Ca 0.59 -3.55 -0.17 0.00 -3.30 0.00 0.00 52.55 46.12 1de3 s ASP 105 Cb -0.14 -2.20 -0.11 0.00 -1.09 0.00 0.00 42.92 39.38 1de3 s ASP 105 CO 0.49 -0.30 0.25 0.00 0.70 0.00 0.00 175.17 176.30 1de3 n TYR 106 N 2.76 -0.68 -0.86 2.11 9.36 -1.26 -4.70 117.16 123.89 1de3 n TYR 106 Ca 0.23 0.56 -0.43 0.00 3.32 0.00 0.00 57.90 61.58 1de3 n TYR 106 Cb 0.40 -1.25 -0.09 0.00 -0.63 0.00 0.00 39.34 37.77 1de3 n TYR 106 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1de3 n LYS 107 N 0.73 0.74 0.00 2.98 2.85 -1.26 -4.62 118.16 119.58 1de3 n LYS 107 Ca 0.10 -1.44 0.08 0.00 -1.05 0.00 0.00 58.31 56.00 1de3 n LYS 107 Cb 0.20 -2.75 0.37 0.00 -0.65 0.00 0.00 35.03 32.19 1de3 n LYS 107 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1de3 n PHE 108 N 8.65 0.00 1.01 5.58 1.16 -1.26 -1.25 117.46 131.35 1de3 n PHE 108 Ca 0.48 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 56.17 1de3 n PHE 108 Cb 0.41 -0.45 -0.03 0.00 -1.61 0.00 0.00 39.48 37.81 1de3 n PHE 108 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1de3 n ASP 109 N -1.45 1.31 -4.44 5.98 5.75 -1.26 -0.81 116.55 121.63 1de3 n ASP 109 Ca 0.05 -1.11 -0.44 0.00 -0.01 0.00 0.00 54.79 53.28 1de3 n ASP 109 Cb 0.18 0.74 -0.04 0.00 -1.03 0.00 0.00 41.12 40.97 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1de3 s SER 110 N -2.81 6.31 0.00 -1.12 0.15 -0.38 -3.27 113.70 112.59 1de3 s SER 110 Ca 0.12 -1.38 -0.02 0.00 0.70 0.00 0.00 55.95 55.38 1de3 s SER 110 Cb 0.17 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1de3 s SER 110 CO 0.74 -1.28 0.99 0.50 1.20 0.00 0.00 173.24 175.40 1de3 h LYS 111 N 9.29 -0.06 -4.19 5.44 3.64 -1.86 -3.05 116.57 125.78 1de3 h LYS 111 Ca -0.16 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.72 1de3 h LYS 111 Cb 1.06 0.01 -0.36 0.00 -0.41 0.00 0.00 32.23 32.53 1de3 h LYS 111 CO 1.15 -0.04 -0.80 0.21 -2.27 0.00 0.00 179.45 177.70 1de3 s LYS 112 N -3.07 1.39 0.98 1.90 2.47 -1.26 -3.70 119.74 118.44 1de3 s LYS 112 Ca -0.01 -0.22 -0.16 0.00 -1.56 0.00 0.00 55.97 54.02 1de3 s LYS 112 Cb 0.00 -1.44 0.20 0.00 -1.46 0.00 0.00 37.83 35.14 1de3 s LYS 112 CO 0.03 -0.22 1.28 -1.25 0.16 0.00 0.00 175.35 175.35 1de3 s PRO 113 N 1.56 0.48 -0.27 4.03 0.04 -1.26 -5.19 135.00 134.39 1de3 s PRO 113 Ca 0.02 -0.32 -0.02 0.00 0.04 0.00 0.00 61.00 60.71 1de3 s PRO 113 Cb -0.13 -1.82 0.16 0.00 0.04 0.00 0.00 34.50 32.75 1de3 s PRO 113 CO -0.06 -2.54 0.50 0.21 0.04 0.00 0.00 177.00 175.16 1de3 s LYS 114 N -5.80 0.47 0.57 4.56 2.20 -1.24 -4.76 119.74 115.73 1de3 s LYS 114 Ca 0.73 0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 56.98 1de3 s LYS 114 Cb -0.05 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1de3 s LYS 114 CO 0.53 -0.59 1.23 -2.00 -0.36 0.00 0.00 175.35 174.17 1de3 s GLU 115 N 2.72 3.10 0.28 4.03 2.12 -1.26 -4.97 118.70 124.72 1de3 s GLU 115 Ca 0.15 1.91 -0.29 0.00 0.36 0.00 0.00 54.97 57.10 1de3 s GLU 115 Cb -0.15 -2.05 -0.14 0.00 0.26 0.00 0.00 34.13 32.05 1de3 s GLU 115 CO -0.18 -1.13 1.07 -1.71 -0.54 0.00 0.00 175.26 172.78 1de3 n ASN 116 N -1.34 1.54 -3.00 -1.70 2.85 -1.26 -5.00 115.26 107.36 1de3 n ASN 116 Ca 0.12 1.18 0.00 0.00 -0.11 0.00 0.00 54.58 55.77 1de3 n ASN 116 Cb 0.48 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.19 1de3 n ASN 116 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1de3 n PRO 117 N 0.85 0.08 -4.23 1.20 -0.04 -1.26 -5.10 135.00 126.50 1de3 n PRO 117 Ca 0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 1de3 n PRO 117 Cb 0.32 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.71 1de3 n PRO 117 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1de3 s GLY 118 N -1.72 1.77 -0.07 0.55 0.00 -1.26 -5.07 107.32 101.52 1de3 s GLY 118 Ca 0.00 -1.72 -0.25 0.00 0.00 0.00 0.00 44.72 42.75 1de3 s GLY 118 CO 0.00 -1.74 0.97 -0.56 0.00 0.00 0.00 173.10 171.78 1de3 h PRO 119 N 1.76 -0.07 -6.21 2.90 0.13 -1.91 -3.44 132.00 125.17 1de3 h PRO 119 Ca -0.44 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 1de3 h PRO 119 Cb 1.25 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1de3 h PRO 119 CO 0.62 0.54 0.79 0.00 -0.23 0.00 0.00 178.00 179.72 1de3 s ALA 120 N -3.46 3.59 -0.01 -0.56 0.00 -1.26 -3.57 121.76 116.48 1de3 s ALA 120 Ca -0.15 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.33 1de3 s ALA 120 Cb -0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1de3 s ALA 120 CO 0.60 -0.97 -0.16 1.03 0.00 0.00 0.00 175.76 176.26 1de3 s ARG 121 N 2.88 1.34 0.19 0.00 0.52 0.15 -3.11 118.95 120.93 1de3 s ARG 121 Ca 0.53 -0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 1de3 s ARG 121 Cb -0.22 -1.28 -0.08 0.00 0.52 0.00 0.00 34.95 33.89 1de3 s ARG 121 CO 0.16 0.34 0.90 0.54 0.02 0.00 0.00 175.30 177.25 1de3 s VAL 122 N -0.34 4.26 -0.04 3.52 0.11 0.15 -0.68 120.40 127.38 1de3 s VAL 122 Ca 0.05 1.97 0.05 0.00 -2.93 0.00 0.00 61.98 61.13 1de3 s VAL 122 Cb -0.07 -4.27 -0.01 0.00 -1.53 0.00 0.00 36.38 30.50 1de3 s VAL 122 CO -0.00 0.46 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.40 1de3 s ILE 123 N -0.88 1.63 -0.28 7.04 -1.09 -0.23 -1.68 121.20 125.71 1de3 s ILE 123 Ca 0.41 -0.85 -0.24 0.00 -2.23 0.00 0.00 60.65 57.74 1de3 s ILE 123 Cb -0.24 -1.38 0.13 0.00 -1.58 0.00 0.00 42.46 39.39 1de3 s ILE 123 CO 0.30 0.46 1.08 -0.72 -1.23 0.00 0.00 174.94 174.83 1de3 s TYR 124 N -0.19 -0.43 0.00 3.97 1.13 -1.18 -2.18 117.35 118.48 1de3 s TYR 124 Ca 0.00 1.02 0.00 0.00 -1.41 0.00 0.00 57.07 56.68 1de3 s TYR 124 Cb -0.11 0.37 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 1de3 s TYR 124 CO 0.01 -0.21 0.00 0.25 -2.51 0.00 0.00 175.55 173.10 1de3 n THR 125 N 2.30 0.00 -3.57 -3.49 -2.24 -1.24 -2.34 114.28 103.71 1de3 n THR 125 Ca -0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1de3 n THR 125 Cb 0.56 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 1de3 n THR 125 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1de3 s TYR 126 N -0.29 -0.51 -1.27 4.78 6.14 -1.25 -2.89 117.35 122.05 1de3 s TYR 126 Ca 0.00 0.96 0.24 0.00 0.64 0.00 0.00 57.07 58.91 1de3 s TYR 126 Cb 0.00 0.41 1.13 0.00 0.42 0.00 0.00 41.96 43.92 1de3 s TYR 126 CO 0.00 -0.42 1.77 -0.35 0.64 0.00 0.00 175.55 177.19 1de3 n PRO 127 N 1.11 0.22 -0.29 4.97 -0.04 -1.26 -4.25 135.00 135.45 1de3 n PRO 127 Ca -0.14 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 1de3 n PRO 127 Cb 0.57 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.80 1de3 n PRO 127 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1de3 h ASN 128 N 0.00 0.01 -4.85 3.54 -0.73 -2.01 -3.45 115.58 108.10 1de3 h ASN 128 Ca 0.00 0.19 -0.41 0.00 1.87 0.00 0.00 56.30 57.95 1de3 h ASN 128 Cb 0.29 0.25 0.06 0.00 0.27 0.00 0.00 38.32 39.19 1de3 h ASN 128 CO 0.00 -0.13 -0.62 0.29 -0.37 0.00 0.00 177.43 176.60 1de3 n LYS 129 N -5.21 -5.32 -2.12 6.67 5.02 -1.14 -4.86 118.16 111.20 1de3 n LYS 129 Ca 0.20 0.85 -0.29 0.00 -2.02 0.00 0.00 58.31 57.05 1de3 n LYS 129 Cb 0.64 -5.74 -0.05 0.00 -0.02 0.00 0.00 35.03 29.86 1de3 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1de3 s VAL 130 N -3.19 3.57 -0.34 -0.18 1.01 -1.26 -4.66 120.40 115.35 1de3 s VAL 130 Ca 0.37 -0.81 -0.37 0.00 0.00 0.00 0.00 61.98 61.17 1de3 s VAL 130 Cb -0.17 -4.45 -0.13 0.00 0.00 0.00 0.00 36.38 31.63 1de3 s VAL 130 CO 0.46 -1.10 2.09 0.33 0.00 0.00 0.00 175.10 176.88 1de3 n PHE 131 N 13.56 1.66 -0.08 5.22 7.35 -1.26 -3.60 117.46 140.30 1de3 n PHE 131 Ca 0.43 0.38 -0.19 0.00 -0.76 0.00 0.00 57.45 57.31 1de3 n PHE 131 Cb 0.47 -2.49 -0.12 0.00 0.35 0.00 0.00 39.48 37.68 1de3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1de3 n GLY 133 N 1.53 0.56 3.40 0.00 0.00 -1.22 -5.00 105.19 104.44 1de3 n GLY 133 Ca -0.22 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1de3 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1de3 s ILE 134 N -2.12 2.46 -0.02 -0.61 1.09 -1.26 -1.07 121.20 119.67 1de3 s ILE 134 Ca 0.05 -1.23 0.03 0.00 -1.10 0.00 0.00 60.65 58.40 1de3 s ILE 134 Cb -0.00 -1.98 -0.00 0.00 -1.06 0.00 0.00 42.46 39.41 1de3 s ILE 134 CO -0.00 0.40 -0.12 0.27 -0.10 0.00 0.00 174.94 175.38 1de3 s ILE 135 N -0.83 0.99 0.07 2.92 -4.36 0.14 -0.53 121.20 119.60 1de3 s ILE 135 Ca 0.13 -0.51 0.01 0.00 -0.26 0.00 0.00 60.65 60.02 1de3 s ILE 135 Cb -0.10 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.72 1de3 s ILE 135 CO 0.03 0.29 -0.05 0.00 0.24 0.00 0.00 174.94 175.45 1de3 s ALA 136 N -0.07 0.67 -0.14 2.27 0.00 -0.48 0.35 121.76 124.36 1de3 s ALA 136 Ca 0.01 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 1de3 s ALA 136 Cb -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1de3 s ALA 136 CO 0.00 -0.25 0.83 -1.01 0.00 0.00 0.00 175.76 175.34 1de3 s HIS 137 N -3.21 3.47 -0.07 0.00 3.76 -1.23 0.23 115.29 118.23 1de3 s HIS 137 Ca 0.04 1.30 -0.00 0.00 -0.15 0.00 0.00 55.06 56.26 1de3 s HIS 137 Cb 0.03 -3.00 0.05 0.00 1.11 0.00 0.00 32.58 30.77 1de3 s HIS 137 CO -0.06 -0.17 1.85 0.25 -0.85 0.00 0.00 174.74 175.76 1de3 n THR 138 N 4.51 2.02 -2.69 1.30 -2.24 -0.90 -4.06 114.28 112.21 1de3 n THR 138 Ca 0.04 -0.67 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 1de3 n THR 138 Cb 0.49 -1.37 0.02 0.00 -2.10 0.00 0.00 70.33 67.37 1de3 n THR 138 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1de3 s LYS 139 N -0.40 0.12 1.96 -0.78 2.20 -1.26 -3.98 119.74 117.60 1de3 s LYS 139 Ca 0.07 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1de3 s LYS 139 Cb 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1de3 s LYS 139 CO 0.00 -0.15 0.00 0.39 -0.36 0.00 0.00 175.35 175.23 1de3 n GLU 140 N 2.98 0.00 -1.74 4.03 1.02 0.49 -1.77 120.64 125.65 1de3 n GLU 140 Ca 0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.20 1de3 n GLU 140 Cb 0.65 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.08 1de3 n GLU 140 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1de3 n ASN 141 N 3.57 -0.29 0.00 1.62 4.13 -1.26 -4.61 115.26 118.41 1de3 n ASN 141 Ca 0.00 -2.05 0.00 0.00 1.68 0.00 0.00 54.58 54.21 1de3 n ASN 141 Cb 0.00 0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1de3 n ASN 141 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1de3 n GLN 142 N -0.31 0.00 -1.17 3.52 3.00 -0.73 -4.99 117.38 116.70 1de3 n GLN 142 Ca -0.13 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.49 1de3 n GLN 142 Cb 0.86 -0.25 0.04 0.00 0.00 0.00 0.00 30.24 30.89 1de3 n GLN 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1de3 n GLY 143 N 1.09 -3.06 3.63 1.08 0.00 -0.90 -4.71 105.19 102.32 1de3 n GLY 143 Ca 0.00 -0.44 -0.60 0.00 0.00 0.00 0.00 46.02 44.98 1de3 n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1de3 n GLU 144 N 0.97 0.36 -1.73 1.61 -0.58 -1.26 -3.52 120.64 116.49 1de3 n GLU 144 Ca 0.06 0.13 -0.38 0.00 -0.42 0.00 0.00 57.16 56.55 1de3 n GLU 144 Cb 0.51 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1de3 s LEU 145 N 1.56 3.39 -0.20 -4.62 1.43 -1.26 -2.13 118.68 116.85 1de3 s LEU 145 Ca 0.95 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 1de3 s LEU 145 Cb -1.26 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 1de3 s LEU 145 CO 0.64 -2.51 0.37 -0.75 0.23 0.00 0.00 176.35 174.33 1de3 s LYS 146 N 7.44 4.17 -0.37 1.70 2.20 0.13 -4.84 119.74 130.18 1de3 s LYS 146 Ca 0.89 0.16 -0.27 0.00 -0.36 0.00 0.00 55.97 56.38 1de3 s LYS 146 Cb -0.19 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 1de3 s LYS 146 CO 0.27 -0.01 2.30 -1.17 -0.36 0.00 0.00 175.35 176.38 1de3 s LEU 147 N 1.22 3.42 0.97 5.43 2.96 -1.26 -1.38 118.68 130.04 1de3 s LEU 147 Ca 0.18 1.43 -0.14 0.00 -0.22 0.00 0.00 54.13 55.38 1de3 s LEU 147 Cb -0.14 -2.98 0.02 0.00 0.50 0.00 0.00 46.19 43.59 1de3 s LEU 147 CO 0.07 -2.45 0.21 0.00 -1.32 0.00 0.00 176.35 172.87 1de3 s SER 149 N -1.88 0.69 0.00 0.00 1.04 -1.04 -4.70 113.70 107.81 1de3 s SER 149 Ca 0.55 -0.16 0.14 0.00 0.48 0.00 0.00 55.95 56.96 1de3 s SER 149 Cb -0.20 -0.06 0.11 0.00 0.10 0.00 0.00 66.02 65.97 1de3 s SER 149 CO 0.69 0.04 0.93 0.00 0.98 0.00 0.00 173.24 175.88