#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cd3 s PHE 2 N 0.00 3.94 0.46 2.03 2.99 -1.26 -5.01 117.98 121.14 1cd3 s PHE 2 Ca 0.00 1.81 -0.24 0.00 0.00 0.00 0.00 56.93 58.51 1cd3 s PHE 2 Cb 0.00 -2.92 -0.07 0.00 0.00 0.00 0.00 43.02 40.03 1cd3 s PHE 2 CO 0.00 0.45 1.25 -1.14 -0.00 0.00 0.00 175.22 175.79 1cd3 s GLN 3 N -1.05 3.68 0.63 0.44 2.00 -1.26 -5.00 119.66 119.11 1cd3 s GLN 3 Ca 0.40 2.00 -0.09 0.00 -2.00 0.00 0.00 55.36 55.67 1cd3 s GLN 3 Cb -0.25 -2.48 -0.01 0.00 0.80 0.00 0.00 33.01 31.07 1cd3 s GLN 3 CO 0.30 -0.68 1.00 0.99 -0.50 0.00 0.00 175.29 176.40 1cd3 s THR 4 N -1.40 4.00 -0.28 -0.34 2.01 -1.26 -5.00 115.64 113.37 1cd3 s THR 4 Ca 0.63 0.45 0.20 0.00 0.31 0.00 0.00 61.69 63.28 1cd3 s THR 4 Cb -0.34 -3.62 0.48 0.00 0.01 0.00 0.00 72.50 69.02 1cd3 s THR 4 CO 0.42 -0.76 1.26 0.49 -0.69 0.00 0.00 174.62 175.34 1cd3 n PHE 5 N -2.77 0.15 -3.72 4.92 3.72 -1.26 -5.09 117.46 113.41 1cd3 n PHE 5 Ca 0.05 -1.99 -0.13 0.00 -0.05 0.00 0.00 57.45 55.33 1cd3 n PHE 5 Cb 0.56 0.37 -0.10 0.00 -0.94 0.00 0.00 39.48 39.37 1cd3 n PHE 5 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1cd3 s ILE 6 N -2.49 0.00 0.09 4.37 1.01 -1.26 -5.11 121.20 117.82 1cd3 s ILE 6 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 1cd3 s ILE 6 Cb 0.36 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 1cd3 s ILE 6 CO -0.07 -0.02 0.11 -0.55 0.00 0.00 0.00 174.94 174.42 1cd3 s SER 7 N 0.09 0.25 0.12 3.58 0.15 -1.26 -5.00 113.70 111.63 1cd3 s SER 7 Ca -0.01 -0.86 0.27 0.00 0.70 0.00 0.00 55.95 56.05 1cd3 s SER 7 Cb -0.03 0.30 0.93 0.00 -1.71 0.00 0.00 66.02 65.51 1cd3 s SER 7 CO 0.01 -0.71 1.80 0.54 1.20 0.00 0.00 173.24 176.08 1cd3 n ARG 8 N -0.03 0.16 -3.74 5.44 1.74 -1.26 -4.79 116.66 114.19 1cd3 n ARG 8 Ca -0.13 0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1cd3 n ARG 8 Cb 0.62 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 30.26 1cd3 n ARG 8 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1cd3 s HIS 9 N -3.06 -0.39 -0.24 -1.55 5.04 -1.26 -4.39 115.29 109.43 1cd3 s HIS 9 Ca 0.12 0.91 0.02 0.00 -1.54 0.00 0.00 55.06 54.56 1cd3 s HIS 9 Cb 0.15 0.12 0.06 0.00 0.04 0.00 0.00 32.58 32.95 1cd3 s HIS 9 CO 0.58 -0.23 -0.10 -0.80 -2.34 0.00 0.00 174.74 171.85 1cd3 s ASN 10 N 0.88 4.08 0.47 9.88 0.02 -1.26 -5.04 114.94 123.97 1cd3 s ASN 10 Ca -0.06 -1.23 -0.17 0.00 -1.02 0.00 0.00 52.86 50.38 1cd3 s ASN 10 Cb -0.07 -1.41 -0.09 0.00 0.02 0.00 0.00 41.25 39.71 1cd3 s ASN 10 CO -0.06 -0.19 0.94 -0.44 0.02 0.00 0.00 177.10 177.38 1cd3 s SER 11 N 1.23 6.71 0.46 -1.22 0.01 -1.26 -4.88 113.70 114.75 1cd3 s SER 11 Ca -0.06 1.55 -0.23 0.00 1.31 0.00 0.00 55.95 58.51 1cd3 s SER 11 Cb -0.19 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.48 1cd3 s SER 11 CO -0.06 -0.49 1.19 0.21 0.41 0.00 0.00 173.24 174.50 1cd3 s ASN 12 N -2.80 6.10 0.00 2.44 3.84 -1.26 -4.90 114.94 118.36 1cd3 s ASN 12 Ca 0.59 2.38 0.19 0.00 0.21 0.00 0.00 52.86 56.22 1cd3 s ASN 12 Cb -0.10 -2.61 1.11 0.00 -0.55 0.00 0.00 41.25 39.10 1cd3 s ASN 12 CO 0.26 -0.97 1.52 0.49 -2.79 0.00 0.00 177.10 175.61 1cd3 n PHE 13 N -0.48 0.00 -3.91 0.43 0.99 -1.26 -4.57 117.46 108.66 1cd3 n PHE 13 Ca 0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.23 1cd3 n PHE 13 Cb 0.47 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 38.79 1cd3 n PHE 13 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1cd3 s PHE 14 N -2.00 2.02 0.41 1.38 0.08 -1.26 -5.13 117.98 113.48 1cd3 s PHE 14 Ca 0.28 -1.41 -0.02 0.00 0.12 0.00 0.00 56.93 55.90 1cd3 s PHE 14 Cb 0.13 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 1cd3 s PHE 14 CO 0.21 -0.70 0.66 -1.54 -0.10 0.00 0.00 175.22 173.75 1cd3 s SER 15 N 1.52 6.25 -0.06 1.36 1.04 -1.26 -4.31 113.70 118.24 1cd3 s SER 15 Ca -0.02 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.08 1cd3 s SER 15 Cb -0.17 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.86 1cd3 s SER 15 CO -0.07 -0.44 -0.12 -1.81 0.98 0.00 0.00 173.24 171.77 1cd3 s ASP 16 N -4.08 1.78 0.08 7.02 1.11 0.29 -4.98 116.67 117.89 1cd3 s ASP 16 Ca 0.44 -0.30 -0.30 0.00 0.18 0.00 0.00 52.55 52.56 1cd3 s ASP 16 Cb -0.10 -0.80 -0.06 0.00 1.07 0.00 0.00 42.92 43.03 1cd3 s ASP 16 CO 0.40 0.04 1.14 -0.75 1.18 0.00 0.00 175.17 177.18 1cd3 s LYS 17 N 0.62 4.50 -0.05 8.23 2.20 -1.26 -0.96 119.74 133.00 1cd3 s LYS 17 Ca -0.14 1.70 -0.30 0.00 -0.36 0.00 0.00 55.97 56.87 1cd3 s LYS 17 Cb -0.15 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1cd3 s LYS 17 CO 0.04 -0.14 1.70 -1.17 -0.36 0.00 0.00 175.35 175.43 1cd3 s LEU 18 N 0.67 4.30 -0.08 5.43 0.20 -1.09 -4.87 118.68 123.24 1cd3 s LEU 18 Ca 0.55 2.25 -0.25 0.00 0.69 0.00 0.00 54.13 57.37 1cd3 s LEU 18 Cb -0.28 -3.53 -0.21 0.00 -0.43 0.00 0.00 46.19 41.74 1cd3 s LEU 18 CO 0.30 -0.98 0.96 1.62 -0.29 0.00 0.00 176.35 177.97 1cd3 h VAL 19 N 5.65 1.40 -4.22 1.68 3.04 -1.92 -3.46 116.25 118.41 1cd3 h VAL 19 Ca -0.40 -1.60 -0.53 0.00 -1.01 0.00 0.00 66.70 63.16 1cd3 h VAL 19 Cb 1.19 2.43 0.16 0.00 -2.01 0.00 0.00 31.29 33.06 1cd3 h VAL 19 CO 0.96 0.39 0.33 -0.22 -1.01 0.00 0.00 177.57 178.02 1cd3 s LEU 20 N -8.78 3.16 -0.00 3.16 2.96 -1.26 -4.99 118.68 112.93 1cd3 s LEU 20 Ca -0.16 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1cd3 s LEU 20 Cb -0.00 -4.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.11 1cd3 s LEU 20 CO 0.62 -2.43 0.00 0.35 -1.32 0.00 0.00 176.35 173.58 1cd3 n THR 21 N -3.22 0.00 -4.67 3.68 -2.24 -1.26 -4.95 114.28 101.61 1cd3 n THR 21 Ca 0.12 -0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.59 1cd3 n THR 21 Cb 0.51 0.56 -0.17 0.00 -2.10 0.00 0.00 70.33 69.13 1cd3 n THR 21 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cd3 s SER 22 N -1.90 1.95 -0.02 3.42 1.04 -1.26 -1.67 113.70 115.26 1cd3 s SER 22 Ca -0.00 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.17 1cd3 s SER 22 Cb 0.00 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.21 1cd3 s SER 22 CO 0.00 0.05 -0.23 -0.69 0.98 0.00 0.00 173.24 173.36 1cd3 s VAL 23 N 0.60 1.83 -0.32 5.02 1.01 0.47 -4.96 120.40 124.04 1cd3 s VAL 23 Ca -0.15 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 60.88 1cd3 s VAL 23 Cb -0.16 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 34.80 1cd3 s VAL 23 CO 0.04 0.52 0.05 0.28 0.00 0.00 0.00 175.10 175.99 1cd3 s THR 24 N -0.48 1.91 0.90 3.92 -1.32 -1.26 -0.97 115.64 118.33 1cd3 s THR 24 Ca 0.07 -2.03 -0.15 0.00 -1.21 0.00 0.00 61.69 58.37 1cd3 s THR 24 Cb -0.09 -2.38 -0.13 0.00 -1.51 0.00 0.00 72.50 68.38 1cd3 s THR 24 CO -0.00 -0.56 -0.73 -2.65 -2.21 0.00 0.00 174.62 168.47 1cd3 n PRO 25 N 4.42 0.00 0.00 7.08 -0.02 -1.25 -4.77 135.00 140.46 1cd3 n PRO 25 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1cd3 n PRO 25 Cb 0.42 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 1cd3 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cd3 n ALA 26 N -2.25 0.00 0.20 3.55 0.00 -1.24 -4.48 120.51 116.29 1cd3 n ALA 26 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1cd3 n ALA 26 Cb 0.50 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.63 1cd3 n ALA 26 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1cd3 h SER 27 N 0.00 0.00 -2.14 0.00 0.87 -1.87 0.12 113.55 110.53 1cd3 h SER 27 Ca 0.00 0.00 -0.78 0.00 -1.23 0.00 0.00 61.79 59.78 1cd3 h SER 27 Cb 0.00 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 61.68 1cd3 h SER 27 CO 0.00 0.00 0.98 -1.20 -0.53 0.00 0.00 176.83 176.08 1cd3 n SER 28 N -4.43 7.32 -1.19 6.23 7.64 -1.26 -4.94 113.62 122.99 1cd3 n SER 28 Ca -0.00 -3.75 -0.16 0.00 1.01 0.00 0.00 58.87 55.96 1cd3 n SER 28 Cb 0.21 -1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 62.28 1cd3 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cd3 n ALA 29 N -0.27 -0.76 -1.99 -0.43 0.00 -0.05 -4.37 120.51 112.64 1cd3 n ALA 29 Ca 0.49 0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.76 1cd3 n ALA 29 Cb 0.26 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 1cd3 n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1cd3 s PRO 30 N 0.44 3.91 -0.65 0.00 0.04 -1.19 0.82 135.00 138.37 1cd3 s PRO 30 Ca 0.25 0.77 -0.21 0.00 0.04 0.00 0.00 61.00 61.85 1cd3 s PRO 30 Cb -0.36 -2.25 0.09 0.00 0.04 0.00 0.00 34.50 32.02 1cd3 s PRO 30 CO 0.18 -0.14 0.86 0.08 0.04 0.00 0.00 177.00 178.03 1cd3 s VAL 31 N -2.46 4.55 0.14 -0.36 1.01 0.81 -2.27 120.40 121.82 1cd3 s VAL 31 Ca 0.56 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1cd3 s VAL 31 Cb -0.10 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.67 1cd3 s VAL 31 CO 0.29 -1.32 0.61 0.18 0.00 0.00 0.00 175.10 174.86 1cd3 n LEU 32 N 7.06 0.00 0.00 3.92 4.77 -0.78 -4.45 117.00 127.52 1cd3 n LEU 32 Ca -0.05 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1cd3 n LEU 32 Cb 0.44 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1cd3 n LEU 32 CO 0.61 -0.11 0.00 1.67 -1.33 0.00 0.00 177.39 178.23 1cd3 n GLN 33 N -1.33 0.00 0.00 3.23 7.27 -1.26 -4.78 117.38 120.51 1cd3 n GLN 33 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1cd3 n GLN 33 Cb 0.60 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.25 1cd3 n GLN 33 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1cd3 n THR 34 N 0.00 0.00 -2.49 1.69 -2.24 -1.26 -4.74 114.28 105.24 1cd3 n THR 34 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1cd3 n THR 34 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1cd3 n THR 34 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1cd3 s PRO 35 N 0.00 3.73 0.39 -0.78 0.02 -1.26 -5.03 135.00 132.07 1cd3 s PRO 35 Ca 0.00 1.41 0.08 0.00 0.02 0.00 0.00 61.00 62.51 1cd3 s PRO 35 Cb 0.00 -2.09 -0.00 0.00 0.02 0.00 0.00 34.50 32.43 1cd3 s PRO 35 CO 0.00 -0.50 0.50 0.21 -0.33 0.00 0.00 177.00 176.88 1cd3 s LYS 36 N -3.22 2.87 0.00 5.54 2.20 -1.26 -4.85 119.74 121.02 1cd3 s LYS 36 Ca 0.68 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1cd3 s LYS 36 Cb -0.18 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1cd3 s LYS 36 CO 0.21 -0.14 0.00 0.00 -0.36 0.00 0.00 175.35 175.07 1cd3 n ALA 37 N -1.72 0.00 -0.16 3.13 0.00 -1.26 -1.31 120.51 119.19 1cd3 n ALA 37 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1cd3 n ALA 37 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1cd3 n ALA 37 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1cd3 n THR 38 N 0.00 0.00 -3.65 0.00 5.66 -1.24 -1.96 114.28 113.09 1cd3 n THR 38 Ca 0.00 -0.28 -0.13 0.00 -3.05 0.00 0.00 64.05 60.60 1cd3 n THR 38 Cb 0.00 1.16 -0.08 0.00 -1.55 0.00 0.00 70.33 69.86 1cd3 n THR 38 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1cd3 s SER 39 N -0.36 -0.73 0.22 1.09 0.15 -1.26 -2.70 113.70 110.10 1cd3 s SER 39 Ca 0.00 1.36 -0.22 0.00 0.70 0.00 0.00 55.95 57.79 1cd3 s SER 39 Cb 0.00 1.35 0.04 0.00 -1.71 0.00 0.00 66.02 65.70 1cd3 s SER 39 CO 0.00 -0.23 0.65 -0.94 1.20 0.00 0.00 173.24 173.92 1cd3 s SER 40 N 0.62 -0.41 -0.06 5.45 1.04 -0.76 -4.93 113.70 114.65 1cd3 s SER 40 Ca -0.02 -0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 1cd3 s SER 40 Cb -0.05 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1cd3 s SER 40 CO -0.03 -1.15 0.04 0.28 0.98 0.00 0.00 173.24 173.37 1cd3 s THR 41 N -3.83 0.04 -0.11 2.02 -1.32 -1.26 -0.48 115.64 110.69 1cd3 s THR 41 Ca 0.06 0.31 -0.05 0.00 -1.21 0.00 0.00 61.69 60.80 1cd3 s THR 41 Cb -0.03 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 1cd3 s THR 41 CO -0.03 0.18 0.07 -0.22 -2.21 0.00 0.00 174.62 172.41 1cd3 s LEU 42 N 2.11 3.96 -0.14 9.08 2.96 -0.23 0.10 118.68 136.52 1cd3 s LEU 42 Ca 0.05 0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.19 1cd3 s LEU 42 Cb -0.12 -1.95 0.07 0.00 0.50 0.00 0.00 46.19 44.69 1cd3 s LEU 42 CO -0.04 0.36 0.27 -0.72 -1.32 0.00 0.00 176.35 174.91 1cd3 s TYR 43 N -0.76 -0.45 -0.07 5.38 -0.00 -0.14 -0.72 117.35 120.59 1cd3 s TYR 43 Ca 0.13 0.95 0.02 0.00 -0.00 0.00 0.00 57.07 58.17 1cd3 s TYR 43 Cb -0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 41.96 41.78 1cd3 s TYR 43 CO 0.03 -0.39 -0.13 -0.59 -0.00 0.00 0.00 175.55 174.47 1cd3 s PHE 44 N 2.43 2.76 -2.77 -3.49 -0.12 -0.29 -2.67 117.98 113.83 1cd3 s PHE 44 Ca 0.02 -0.21 0.23 0.00 -0.05 0.00 0.00 56.93 56.92 1cd3 s PHE 44 Cb -0.12 -1.68 0.16 0.00 -0.63 0.00 0.00 43.02 40.75 1cd3 s PHE 44 CO -0.09 0.14 1.21 -0.40 -0.05 0.00 0.00 175.22 176.03 1cd3 n ASP 45 N 2.51 2.81 -2.74 1.98 5.68 -1.26 -0.21 116.55 125.32 1cd3 n ASP 45 Ca -0.17 -1.91 -0.02 0.00 -0.50 0.00 0.00 54.79 52.19 1cd3 n ASP 45 Cb 0.52 0.05 0.02 0.00 -1.14 0.00 0.00 41.12 40.57 1cd3 n ASP 45 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1cd3 s SER 46 N -1.95 -0.49 -0.20 -1.12 0.15 -1.25 -4.69 113.70 104.14 1cd3 s SER 46 Ca 0.26 -0.47 -0.09 0.00 0.70 0.00 0.00 55.95 56.35 1cd3 s SER 46 Cb 0.19 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 65.09 1cd3 s SER 46 CO 0.31 -0.03 0.12 -0.22 1.20 0.00 0.00 173.24 174.62 1cd3 s LEU 47 N 1.30 4.06 -0.20 3.45 2.96 -0.18 -4.88 118.68 125.20 1cd3 s LEU 47 Ca 0.21 0.16 -0.09 0.00 -0.22 0.00 0.00 54.13 54.19 1cd3 s LEU 47 Cb 0.08 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1cd3 s LEU 47 CO -0.11 0.15 0.10 0.42 -1.32 0.00 0.00 176.35 175.59 1cd3 s THR 48 N 0.53 5.07 -0.48 3.68 -4.23 -0.67 -0.61 115.64 118.92 1cd3 s THR 48 Ca 0.06 0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 60.51 1cd3 s THR 48 Cb -0.12 -3.31 0.10 0.00 1.34 0.00 0.00 72.50 70.52 1cd3 s THR 48 CO -0.00 0.44 0.39 -0.69 -0.54 0.00 0.00 174.62 174.22 1cd3 s VAL 49 N 0.47 4.80 0.10 2.29 1.01 0.12 -0.39 120.40 128.79 1cd3 s VAL 49 Ca 0.05 -1.44 -0.31 0.00 0.00 0.00 0.00 61.98 60.29 1cd3 s VAL 49 Cb -0.12 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1cd3 s VAL 49 CO -0.00 -0.71 1.66 0.20 0.00 0.00 0.00 175.10 176.26 1cd3 s ASN 50 N 2.85 6.57 0.26 3.32 0.01 -0.15 -1.60 114.94 126.20 1cd3 s ASN 50 Ca 0.04 2.56 -0.28 0.00 -0.71 0.00 0.00 52.86 54.46 1cd3 s ASN 50 Cb -0.26 -2.57 -0.15 0.00 0.41 0.00 0.00 41.25 38.68 1cd3 s ASN 50 CO 0.03 -0.89 0.90 0.00 -1.51 0.00 0.00 177.10 175.63 1cd3 n ALA 51 N 5.28 -0.86 0.00 0.60 0.00 -1.26 -3.91 120.51 120.36 1cd3 n ALA 51 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1cd3 n ALA 51 Cb 0.40 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1cd3 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cd3 n GLY 52 N 1.42 0.89 3.09 0.00 0.00 -0.49 -4.84 105.19 105.27 1cd3 n GLY 52 Ca 0.12 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1cd3 n GLY 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cd3 s ASN 53 N 0.00 4.72 0.00 1.61 2.47 -1.26 0.36 114.94 122.84 1cd3 s ASN 53 Ca 0.00 -1.63 0.00 0.00 0.42 0.00 0.00 52.86 51.65 1cd3 s ASN 53 Cb 0.00 -1.64 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1cd3 s ASN 53 CO 0.00 -0.29 0.00 0.61 -3.72 0.00 0.00 177.10 173.70 1cd3 n GLY 54 N 4.45 -0.64 0.00 1.21 0.00 -0.42 -3.74 105.19 106.05 1cd3 n GLY 54 Ca -0.08 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1cd3 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cd3 n GLY 55 N 0.00 1.90 3.33 -0.02 0.00 -0.73 -1.74 105.19 107.93 1cd3 n GLY 55 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1cd3 n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cd3 s PHE 56 N -1.92 2.50 0.43 1.61 -0.71 -1.21 -3.16 117.98 115.51 1cd3 s PHE 56 Ca 0.00 -0.52 0.03 0.00 -1.04 0.00 0.00 56.93 55.41 1cd3 s PHE 56 Cb 0.00 -1.60 -0.02 0.00 -1.21 0.00 0.00 43.02 40.19 1cd3 s PHE 56 CO 0.00 -0.08 0.10 -0.48 -1.34 0.00 0.00 175.22 173.42 1cd3 s LEU 57 N -0.37 2.07 -0.00 -1.99 2.34 -0.96 -3.10 118.68 116.67 1cd3 s LEU 57 Ca 0.03 -1.66 0.03 0.00 0.06 0.00 0.00 54.13 52.59 1cd3 s LEU 57 Cb -0.12 -0.25 -0.01 0.00 -0.56 0.00 0.00 46.19 45.24 1cd3 s LEU 57 CO 0.02 -0.91 -0.11 -2.28 -1.06 0.00 0.00 176.35 172.01 1cd3 s HIS 58 N -3.13 0.97 0.43 3.48 5.65 0.46 -1.87 115.29 121.28 1cd3 s HIS 58 Ca 0.20 -0.20 0.07 0.00 0.25 0.00 0.00 55.06 55.38 1cd3 s HIS 58 Cb 0.02 -0.62 -0.04 0.00 -1.18 0.00 0.00 32.58 30.76 1cd3 s HIS 58 CO 0.12 -0.01 0.19 0.00 -0.65 0.00 0.00 174.74 174.39 1cd3 s ILE 60 N -2.63 -0.01 -0.11 0.00 1.10 -0.94 -4.55 121.20 114.06 1cd3 s ILE 60 Ca 0.39 0.02 -0.23 0.00 -0.51 0.00 0.00 60.65 60.32 1cd3 s ILE 60 Cb 0.03 -0.89 -0.03 0.00 0.15 0.00 0.00 42.46 41.72 1cd3 s ILE 60 CO 0.22 0.01 0.69 -1.58 -2.11 0.00 0.00 174.94 172.16 1cd3 s GLN 61 N 1.37 4.37 -0.32 3.50 0.74 -0.43 -2.62 119.66 126.28 1cd3 s GLN 61 Ca -0.08 0.81 -0.28 0.00 0.05 0.00 0.00 55.36 55.86 1cd3 s GLN 61 Cb -0.06 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 1cd3 s GLN 61 CO -0.15 -0.04 1.78 -1.64 -0.55 0.00 0.00 175.29 174.68 1cd3 s MET 62 N 1.20 3.39 -0.23 1.67 -1.94 -0.85 -3.67 119.30 118.87 1cd3 s MET 62 Ca 0.35 1.45 -0.29 0.00 -1.71 0.00 0.00 55.69 55.49 1cd3 s MET 62 Cb -0.17 -4.18 -0.01 0.00 2.01 0.00 0.00 34.83 32.48 1cd3 s MET 62 CO 0.15 -1.80 1.37 0.34 -0.01 0.00 0.00 175.02 175.08 1cd3 s ASP 63 N 5.88 6.70 -0.44 3.03 -1.08 -1.26 -4.77 116.67 124.73 1cd3 s ASP 63 Ca 0.79 1.50 0.04 0.00 -0.52 0.00 0.00 52.55 54.36 1cd3 s ASP 63 Cb -0.23 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.23 1cd3 s ASP 63 CO 0.34 -1.01 1.72 1.07 0.52 0.00 0.00 175.17 177.81 1cd3 n THR 64 N 5.94 3.03 0.04 1.71 5.66 -1.26 -4.64 114.28 124.77 1cd3 n THR 64 Ca 0.15 -2.76 -0.05 0.00 -3.05 0.00 0.00 64.05 58.35 1cd3 n THR 64 Cb 0.46 -0.69 -0.10 0.00 -1.55 0.00 0.00 70.33 68.44 1cd3 n THR 64 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1cd3 h SER 65 N 1.42 0.00 -3.40 1.09 0.02 -1.98 -3.46 113.55 107.24 1cd3 h SER 65 Ca 0.47 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.87 1cd3 h SER 65 Cb 1.78 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.28 1cd3 h SER 65 CO 0.97 0.85 0.11 -0.69 -1.14 0.00 0.00 176.83 176.93 1cd3 s VAL 66 N -2.75 4.73 -0.66 2.27 1.01 -1.26 -4.96 120.40 118.77 1cd3 s VAL 66 Ca -0.01 1.53 -0.26 0.00 0.00 0.00 0.00 61.98 63.24 1cd3 s VAL 66 Cb 0.09 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1cd3 s VAL 66 CO 0.81 0.40 1.98 0.21 0.00 0.00 0.00 175.10 178.50 1cd3 s ASN 67 N -0.27 5.07 0.00 3.32 2.47 -1.26 -4.73 114.94 119.54 1cd3 s ASN 67 Ca 0.36 0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.86 1cd3 s ASN 67 Cb -0.20 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1cd3 s ASN 67 CO 0.22 -2.59 0.00 0.00 -3.72 0.00 0.00 177.10 171.01 1cd3 n ALA 68 N 13.69 0.00 -0.06 1.71 0.00 -1.26 -5.07 120.51 129.53 1cd3 n ALA 68 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1cd3 n ALA 68 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1cd3 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cd3 h ALA 69 N 0.00 0.26 -2.18 0.00 0.00 -1.97 -3.41 119.26 111.96 1cd3 h ALA 69 Ca 0.00 -0.41 -0.74 0.00 0.00 0.00 0.00 54.91 53.75 1cd3 h ALA 69 Cb 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 17.52 1cd3 h ALA 69 CO 0.00 0.29 0.07 -0.80 0.00 0.00 0.00 179.25 178.81 1cd3 s ASN 70 N -6.44 6.36 0.55 0.00 0.02 -1.26 -0.38 114.94 113.79 1cd3 s ASN 70 Ca -0.13 -1.90 0.08 0.00 -1.02 0.00 0.00 52.86 49.88 1cd3 s ASN 70 Cb 0.06 -2.26 0.06 0.00 0.02 0.00 0.00 41.25 39.13 1cd3 s ASN 70 CO 0.80 -0.90 0.61 -1.10 0.02 0.00 0.00 177.10 176.53 1cd3 s GLN 71 N 1.74 2.32 -0.21 -0.60 -0.21 -1.20 -4.96 119.66 116.54 1cd3 s GLN 71 Ca 0.12 -1.77 -0.07 0.00 0.02 0.00 0.00 55.36 53.67 1cd3 s GLN 71 Cb -0.21 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 31.34 1cd3 s GLN 71 CO 0.00 -0.71 0.05 0.08 -2.12 0.00 0.00 175.29 172.60 1cd3 s VAL 72 N -2.68 4.42 -0.03 1.09 1.01 -1.24 -2.85 120.40 120.12 1cd3 s VAL 72 Ca 0.50 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1cd3 s VAL 72 Cb -0.04 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1cd3 s VAL 72 CO 0.31 0.40 -0.03 -0.69 0.00 0.00 0.00 175.10 175.10 1cd3 s VAL 73 N 1.03 4.01 0.03 2.92 1.01 0.40 0.69 120.40 130.48 1cd3 s VAL 73 Ca 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1cd3 s VAL 73 Cb -0.14 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1cd3 s VAL 73 CO 0.03 0.47 -0.08 -0.94 0.00 0.00 0.00 175.10 174.57 1cd3 s SER 74 N -1.25 0.93 -0.04 3.32 1.04 0.18 0.35 113.70 118.23 1cd3 s SER 74 Ca 0.16 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1cd3 s SER 74 Cb -0.11 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1cd3 s SER 74 CO 0.06 -0.08 -0.09 0.54 0.98 0.00 0.00 173.24 174.66 1cd3 s VAL 75 N -0.91 0.83 -0.11 5.02 0.11 0.13 -1.07 120.40 124.41 1cd3 s VAL 75 Ca -0.04 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1cd3 s VAL 75 Cb -0.07 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1cd3 s VAL 75 CO 0.00 0.28 -0.10 -0.83 -3.33 0.00 0.00 175.10 171.13 1cd3 s GLY 76 N 0.58 0.87 -0.10 6.54 0.00 -0.25 -1.59 107.32 113.37 1cd3 s GLY 76 Ca -0.10 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 1cd3 s GLY 76 CO 0.02 0.65 0.73 0.00 0.00 0.00 0.00 173.10 174.49 1cd3 s ALA 77 N 1.50 -1.80 -0.15 3.20 0.00 0.74 0.12 121.76 125.36 1cd3 s ALA 77 Ca 0.02 1.46 -0.00 0.00 0.00 0.00 0.00 51.96 53.44 1cd3 s ALA 77 Cb -0.13 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1cd3 s ALA 77 CO -0.07 -0.35 -0.07 0.34 0.00 0.00 0.00 175.76 175.61 1cd3 s ASP 78 N -0.93 2.71 -0.02 0.00 3.68 0.11 -1.05 116.67 121.17 1cd3 s ASP 78 Ca -0.08 -0.58 0.02 0.00 2.13 0.00 0.00 52.55 54.04 1cd3 s ASP 78 Cb -0.01 -0.93 0.00 0.00 -1.45 0.00 0.00 42.92 40.54 1cd3 s ASP 78 CO 0.07 -0.16 -0.08 0.27 0.13 0.00 0.00 175.17 175.40 1cd3 s ILE 79 N 1.63 0.72 -0.22 4.11 -4.36 0.28 -1.26 121.20 122.10 1cd3 s ILE 79 Ca 0.02 -0.33 -0.03 0.00 -0.26 0.00 0.00 60.65 60.05 1cd3 s ILE 79 Cb -0.15 -0.65 0.00 0.00 1.25 0.00 0.00 42.46 42.92 1cd3 s ILE 79 CO -0.08 0.23 -0.06 0.00 0.24 0.00 0.00 174.94 175.27 1cd3 s ALA 80 N 0.18 2.74 -0.13 2.27 0.00 -0.71 0.11 121.76 126.22 1cd3 s ALA 80 Ca -0.03 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 1cd3 s ALA 80 Cb -0.08 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1cd3 s ALA 80 CO 0.00 -0.49 0.11 -0.06 0.00 0.00 0.00 175.76 175.32 1cd3 s PHE 81 N 1.43 3.47 0.32 0.00 0.08 0.26 -0.77 117.98 122.78 1cd3 s PHE 81 Ca 0.05 0.41 0.07 0.00 0.12 0.00 0.00 56.93 57.57 1cd3 s PHE 81 Cb -0.14 -1.96 0.56 0.00 -0.57 0.00 0.00 43.02 40.90 1cd3 s PHE 81 CO -0.05 0.58 1.78 -0.44 -0.10 0.00 0.00 175.22 177.00 1cd3 h ASP 82 N 5.42 0.30 -2.07 1.36 3.32 -0.49 -3.41 116.42 120.85 1cd3 h ASP 82 Ca -0.51 -0.09 -0.58 0.00 0.02 0.00 0.00 57.03 55.87 1cd3 h ASP 82 Cb 1.21 -0.08 -0.11 0.00 0.22 0.00 0.00 39.33 40.56 1cd3 h ASP 82 CO 0.61 0.57 -0.66 0.00 -1.72 0.00 0.00 179.24 178.04 1cd3 s ALA 83 N -4.44 3.08 -1.13 3.45 0.00 -1.26 -4.99 121.76 116.47 1cd3 s ALA 83 Ca -0.05 -1.86 -0.09 0.00 0.00 0.00 0.00 51.96 49.96 1cd3 s ALA 83 Cb 0.14 -0.45 0.27 0.00 0.00 0.00 0.00 23.12 23.08 1cd3 s ALA 83 CO 0.76 0.17 1.21 -3.47 0.00 0.00 0.00 175.76 174.44 1cd3 n ASP 84 N -0.86 5.60 -4.55 0.00 4.64 -1.26 -4.48 116.55 115.65 1cd3 n ASP 84 Ca -0.05 -3.08 -0.36 0.00 -1.38 0.00 0.00 54.79 49.92 1cd3 n ASP 84 Cb 0.61 -1.39 -0.03 0.00 -1.04 0.00 0.00 41.12 39.27 1cd3 n ASP 84 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1cd3 s PRO 85 N -1.15 2.36 -0.77 -0.67 0.04 -1.26 -4.81 135.00 128.74 1cd3 s PRO 85 Ca 0.32 0.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.12 1cd3 s PRO 85 Cb -0.07 -4.52 -0.22 0.00 0.04 0.00 0.00 34.50 29.73 1cd3 s PRO 85 CO -0.05 -3.06 1.99 1.63 0.04 0.00 0.00 177.00 177.55 1cd3 n LYS 86 N 9.09 0.14 -4.28 4.56 4.01 -1.26 -4.80 118.16 125.63 1cd3 n LYS 86 Ca 0.29 -0.37 -0.21 0.00 -0.51 0.00 0.00 58.31 57.50 1cd3 n LYS 86 Cb 0.53 -1.94 -0.12 0.00 -0.51 0.00 0.00 35.03 32.99 1cd3 n LYS 86 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 1cd3 s PHE 87 N 5.29 1.65 0.34 2.13 -0.12 -1.26 -4.71 117.98 121.30 1cd3 s PHE 87 Ca 0.93 -0.46 0.07 0.00 -0.05 0.00 0.00 56.93 57.41 1cd3 s PHE 87 Cb -0.44 -0.88 -0.02 0.00 -0.63 0.00 0.00 43.02 41.06 1cd3 s PHE 87 CO 0.31 0.21 0.35 -0.59 -0.05 0.00 0.00 175.22 175.45 1cd3 s PHE 88 N -1.61 2.96 0.31 3.49 -0.71 -0.17 -4.88 117.98 117.37 1cd3 s PHE 88 Ca 0.08 -0.28 0.06 0.00 -1.04 0.00 0.00 56.93 55.75 1cd3 s PHE 88 Cb -0.08 -1.88 -0.06 0.00 -1.21 0.00 0.00 43.02 39.79 1cd3 s PHE 88 CO 0.04 0.11 -0.02 0.00 -1.34 0.00 0.00 175.22 174.01 1cd3 s ALA 89 N -2.27 2.46 0.00 1.99 0.00 -1.26 -0.86 121.76 121.81 1cd3 s ALA 89 Ca 0.43 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1cd3 s ALA 89 Cb -0.07 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.34 1cd3 s ALA 89 CO 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 175.76 175.91 1cd3 s LEU 91 N 0.00 4.30 0.04 0.00 1.98 -0.83 -1.28 118.68 122.89 1cd3 s LEU 91 Ca 0.00 0.95 0.07 0.00 -2.89 0.00 0.00 54.13 52.26 1cd3 s LEU 91 Cb 0.00 -2.83 -0.03 0.00 0.66 0.00 0.00 46.19 43.99 1cd3 s LEU 91 CO 0.00 -0.03 -0.15 0.68 -1.89 0.00 0.00 176.35 174.95 1cd3 s VAL 92 N 0.64 2.99 -0.46 1.68 -7.23 0.15 -1.31 120.40 116.86 1cd3 s VAL 92 Ca 0.30 -1.14 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 1cd3 s VAL 92 Cb -0.16 -2.29 0.14 0.00 0.56 0.00 0.00 36.38 34.63 1cd3 s VAL 92 CO 0.13 0.31 0.25 -0.60 -0.31 0.00 0.00 175.10 174.89 1cd3 s ARG 93 N -1.54 1.44 -0.10 4.82 3.52 0.26 -0.37 118.95 126.98 1cd3 s ARG 93 Ca 0.16 -2.16 0.03 0.00 -0.13 0.00 0.00 55.73 53.63 1cd3 s ARG 93 Cb -0.11 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.75 1cd3 s ARG 93 CO 0.07 -1.16 -0.21 -0.59 -0.81 0.00 0.00 175.30 172.60 1cd3 s PHE 94 N 0.18 2.60 0.42 5.12 -0.71 -0.33 -2.96 117.98 122.29 1cd3 s PHE 94 Ca 0.18 -0.82 0.04 0.00 -1.04 0.00 0.00 56.93 55.29 1cd3 s PHE 94 Cb -0.23 -1.71 0.00 0.00 -1.21 0.00 0.00 43.02 39.87 1cd3 s PHE 94 CO -0.01 -0.29 0.59 -1.83 -1.34 0.00 0.00 175.22 172.35 1cd3 s GLU 95 N 0.17 2.94 0.04 1.99 -1.05 -1.26 -0.92 118.70 120.60 1cd3 s GLU 95 Ca -0.12 -0.90 -0.27 0.00 -0.15 0.00 0.00 54.97 53.53 1cd3 s GLU 95 Cb -0.16 -2.69 0.07 0.00 -0.44 0.00 0.00 34.13 30.91 1cd3 s GLU 95 CO 0.06 -0.23 0.64 0.45 0.95 0.00 0.00 175.26 177.14 1cd3 s SER 96 N -4.27 -0.61 0.00 0.83 0.15 -0.54 -4.92 113.70 104.35 1cd3 s SER 96 Ca 0.50 0.41 0.25 0.00 0.70 0.00 0.00 55.95 57.81 1cd3 s SER 96 Cb -0.10 0.56 0.53 0.00 -1.71 0.00 0.00 66.02 65.30 1cd3 s SER 96 CO 0.34 -0.75 1.43 -1.54 1.20 0.00 0.00 173.24 173.92 1cd3 n SER 97 N 0.39 0.65 -3.93 5.45 3.41 -1.26 0.84 113.62 119.18 1cd3 n SER 97 Ca -0.18 -0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 57.90 1cd3 n SER 97 Cb 0.60 0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 64.73 1cd3 n SER 97 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1cd3 s SER 98 N -2.88 0.11 -0.28 4.04 0.15 -1.26 -4.86 113.70 108.73 1cd3 s SER 98 Ca 0.14 -0.80 -0.41 0.00 0.70 0.00 0.00 55.95 55.58 1cd3 s SER 98 Cb 0.18 0.38 -0.17 0.00 -1.71 0.00 0.00 66.02 64.69 1cd3 s SER 98 CO 0.66 -0.80 1.64 0.52 1.20 0.00 0.00 173.24 176.46 1cd3 n VAL 99 N -0.13 0.19 -2.21 4.45 0.31 -1.26 -4.90 118.33 114.79 1cd3 n VAL 99 Ca -0.11 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 63.89 1cd3 n VAL 99 Cb 0.63 -0.96 0.01 0.00 -0.91 0.00 0.00 33.84 32.60 1cd3 n VAL 99 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1cd3 s PRO 100 N 2.93 3.49 0.00 5.55 0.04 -1.26 -4.93 135.00 140.82 1cd3 s PRO 100 Ca 0.98 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1cd3 s PRO 100 Cb -1.16 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1cd3 s PRO 100 CO 0.67 -0.46 0.01 0.25 0.04 0.00 0.00 177.00 177.51 1cd3 n THR 101 N -2.56 0.00 -3.64 1.26 -2.24 -1.26 -4.76 114.28 101.08 1cd3 n THR 101 Ca 0.04 -0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 1cd3 n THR 101 Cb 0.55 1.49 -0.07 0.00 -2.10 0.00 0.00 70.33 70.20 1cd3 n THR 101 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cd3 s THR 102 N -0.02 0.00 -0.48 4.28 -4.23 -1.26 -0.14 115.64 113.80 1cd3 s THR 102 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1cd3 s THR 102 Cb 0.00 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.74 1cd3 s THR 102 CO 0.00 0.00 2.36 -0.11 -0.54 0.00 0.00 174.62 176.33 1cd3 n LEU 103 N 3.78 2.09 0.00 4.79 7.94 0.24 -4.90 117.00 130.95 1cd3 n LEU 103 Ca -0.18 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.61 1cd3 n LEU 103 Cb 0.58 -1.37 0.09 0.00 0.53 0.00 0.00 43.42 43.25 1cd3 n LEU 103 CO 0.00 -1.04 0.18 -0.81 -1.11 0.00 0.00 177.39 174.62 1cd3 n PRO 104 N 8.63 -2.22 -0.20 1.96 -0.04 -1.26 -4.13 135.00 137.74 1cd3 n PRO 104 Ca 0.42 -0.58 -0.03 0.00 -0.04 0.00 0.00 63.50 63.28 1cd3 n PRO 104 Cb 0.35 -0.61 0.04 0.00 -0.04 0.00 0.00 33.50 33.24 1cd3 n PRO 104 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1cd3 h THR 105 N -2.17 0.27 -3.38 0.52 2.02 -1.93 -3.40 112.91 104.84 1cd3 h THR 105 Ca -0.14 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.38 1cd3 h THR 105 Cb 0.45 0.27 -0.25 0.00 -1.74 0.00 0.00 68.15 66.88 1cd3 h THR 105 CO 0.09 0.00 -0.74 0.00 0.37 0.00 0.00 175.52 175.24 1cd3 s ALA 106 N -6.13 2.71 0.22 6.16 0.00 -1.26 -5.10 121.76 118.36 1cd3 s ALA 106 Ca -0.14 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1cd3 s ALA 106 Cb 0.18 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1cd3 s ALA 106 CO 0.72 0.28 0.46 1.52 0.00 0.00 0.00 175.76 178.73 1cd3 s TYR 107 N 0.24 0.26 -0.00 0.00 -0.85 -1.26 -4.70 117.35 111.04 1cd3 s TYR 107 Ca -0.07 -0.62 0.04 0.00 -0.52 0.00 0.00 57.07 55.90 1cd3 s TYR 107 Cb -0.15 0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.37 1cd3 s TYR 107 CO 0.05 -0.94 -0.14 -0.51 -1.52 0.00 0.00 175.55 172.49 1cd3 s ASP 108 N -2.98 1.66 -0.04 -0.18 1.11 -1.16 -4.97 116.67 110.11 1cd3 s ASP 108 Ca 0.19 -0.29 0.06 0.00 0.18 0.00 0.00 52.55 52.68 1cd3 s ASP 108 Cb -0.00 -0.17 -0.01 0.00 1.07 0.00 0.00 42.92 43.81 1cd3 s ASP 108 CO 0.05 0.15 -0.22 0.54 1.18 0.00 0.00 175.17 176.87 1cd3 s VAL 109 N -0.43 1.76 0.01 -1.27 0.11 -1.26 -0.58 120.40 118.74 1cd3 s VAL 109 Ca 0.05 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.24 1cd3 s VAL 109 Cb -0.06 -1.48 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1cd3 s VAL 109 CO -0.00 0.50 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.78 1cd3 s TYR 110 N -0.21 1.59 0.28 1.54 2.02 -0.42 -4.99 117.35 117.16 1cd3 s TYR 110 Ca 0.00 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 1cd3 s TYR 110 Cb -0.11 -1.00 -0.10 0.00 -0.40 0.00 0.00 41.96 40.35 1cd3 s TYR 110 CO 0.02 0.01 1.32 -2.14 -1.57 0.00 0.00 175.55 173.19 1cd3 s PRO 111 N -0.67 4.36 -0.23 -1.71 0.02 -1.26 -1.96 135.00 133.55 1cd3 s PRO 111 Ca 0.06 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.27 1cd3 s PRO 111 Cb -0.07 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.39 1cd3 s PRO 111 CO 0.00 -0.22 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.85 1cd3 s LEU 112 N -1.12 2.71 -0.68 -5.54 1.43 -1.26 -4.90 118.68 109.32 1cd3 s LEU 112 Ca 0.52 -1.15 -0.16 0.00 -1.03 0.00 0.00 54.13 52.32 1cd3 s LEU 112 Cb -0.39 -1.30 -0.16 0.00 0.03 0.00 0.00 46.19 44.38 1cd3 s LEU 112 CO 0.47 -0.19 1.79 -3.20 0.23 0.00 0.00 176.35 175.44 1cd3 n ASN 113 N 4.61 0.02 -4.83 2.29 5.15 -1.26 -4.85 115.26 116.39 1cd3 n ASN 113 Ca -0.13 -1.83 -0.26 0.00 -0.60 0.00 0.00 54.58 51.76 1cd3 n ASN 113 Cb 0.44 -1.24 -0.04 0.00 -0.53 0.00 0.00 39.78 38.42 1cd3 n ASN 113 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1cd3 s GLY 114 N 5.22 2.44 -0.20 8.20 0.00 -1.26 -4.59 107.32 117.13 1cd3 s GLY 114 Ca 0.61 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 1cd3 s GLY 114 CO 0.15 -1.95 -0.14 0.50 0.00 0.00 0.00 173.10 171.66 1cd3 s ARG 115 N -4.10 3.14 -0.18 2.90 3.00 0.12 -4.99 118.95 118.83 1cd3 s ARG 115 Ca 0.33 -0.75 -0.08 0.00 0.00 0.00 0.00 55.73 55.23 1cd3 s ARG 115 Cb -0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 34.95 32.16 1cd3 s ARG 115 CO 0.20 -0.21 0.09 -1.01 0.00 0.00 0.00 175.30 174.37 1cd3 s HIS 116 N 1.36 3.34 -0.34 -0.53 3.76 -1.26 -1.81 115.29 119.81 1cd3 s HIS 116 Ca 0.05 0.22 0.06 0.00 -0.15 0.00 0.00 55.06 55.24 1cd3 s HIS 116 Cb -0.13 -2.09 0.18 0.00 1.11 0.00 0.00 32.58 31.64 1cd3 s HIS 116 CO -0.09 0.27 0.56 0.34 -0.85 0.00 0.00 174.74 174.96 1cd3 s ASP 117 N 0.22 -1.05 1.10 1.40 2.15 -0.80 -5.03 116.67 114.67 1cd3 s ASP 117 Ca 0.06 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1cd3 s ASP 117 Cb -0.12 1.74 0.00 0.00 -0.30 0.00 0.00 42.92 44.25 1cd3 s ASP 117 CO -0.00 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 1cd3 n GLY 118 N 4.95 2.49 1.23 2.66 0.00 -1.26 -1.41 105.19 113.85 1cd3 n GLY 118 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1cd3 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cd3 n GLY 119 N 0.00 2.49 3.33 -0.02 0.00 -1.26 -4.78 105.19 104.96 1cd3 n GLY 119 Ca 0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1cd3 n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cd3 s TYR 120 N -0.80 2.49 -0.03 1.61 4.12 -0.50 0.90 117.35 125.13 1cd3 s TYR 120 Ca 0.13 -0.51 -0.00 0.00 0.02 0.00 0.00 57.07 56.71 1cd3 s TYR 120 Cb 0.11 -1.59 0.03 0.00 -1.52 0.00 0.00 41.96 38.98 1cd3 s TYR 120 CO 0.03 -0.07 0.01 -0.47 0.02 0.00 0.00 175.55 175.06 1cd3 s TYR 121 N -0.39 0.29 0.02 2.71 6.04 0.12 -1.90 117.35 124.24 1cd3 s TYR 121 Ca 0.03 0.03 0.02 0.00 0.04 0.00 0.00 57.07 57.20 1cd3 s TYR 121 Cb -0.12 -0.45 -0.01 0.00 -1.04 0.00 0.00 41.96 40.34 1cd3 s TYR 121 CO 0.02 -0.16 -0.08 0.99 -1.54 0.00 0.00 175.55 174.78 1cd3 s THR 122 N 1.29 0.59 -0.29 4.34 2.01 -0.75 0.99 115.64 123.81 1cd3 s THR 122 Ca -0.06 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 1cd3 s THR 122 Cb -0.13 -0.57 0.15 0.00 0.01 0.00 0.00 72.50 71.96 1cd3 s THR 122 CO -0.02 -0.10 1.05 0.54 -0.69 0.00 0.00 174.62 175.39 1cd3 s VAL 123 N -0.75 0.00 -0.33 3.82 0.11 -0.22 0.12 120.40 123.15 1cd3 s VAL 123 Ca -0.03 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1cd3 s VAL 123 Cb -0.06 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.90 1cd3 s VAL 123 CO 0.00 0.00 0.15 -0.75 -3.33 0.00 0.00 175.10 171.18 1cd3 s LYS 124 N 0.93 0.54 0.33 1.54 2.20 -1.25 -0.18 119.74 123.85 1cd3 s LYS 124 Ca -0.05 -1.05 -0.13 0.00 -0.36 0.00 0.00 55.97 54.39 1cd3 s LYS 124 Cb -0.04 -1.55 0.03 0.00 -1.51 0.00 0.00 37.83 34.76 1cd3 s LYS 124 CO -0.12 -1.08 0.65 0.34 -0.36 0.00 0.00 175.35 174.78 1cd3 s ASP 125 N 1.51 0.16 0.06 1.43 -1.08 -0.62 -4.84 116.67 113.29 1cd3 s ASP 125 Ca 0.13 -1.09 -0.12 0.00 -0.52 0.00 0.00 52.55 50.94 1cd3 s ASP 125 Cb -0.19 0.74 0.02 0.00 -1.46 0.00 0.00 42.92 42.02 1cd3 s ASP 125 CO -0.20 -1.44 0.28 0.00 0.52 0.00 0.00 175.17 174.33 1cd3 s VAL 127 N -2.93 0.14 -0.32 0.00 -7.23 0.16 -4.96 120.40 105.27 1cd3 s VAL 127 Ca -0.02 -1.59 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 1cd3 s VAL 127 Cb 0.00 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.29 1cd3 s VAL 127 CO -0.06 -0.65 0.13 0.42 -0.31 0.00 0.00 175.10 174.64 1cd3 s THR 128 N -3.95 4.34 0.04 5.32 -4.23 -1.26 -0.45 115.64 115.45 1cd3 s THR 128 Ca 0.13 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1cd3 s THR 128 Cb 0.06 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 1cd3 s THR 128 CO -0.06 0.01 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.34 1cd3 s ILE 129 N 1.56 3.63 -0.23 2.99 -1.09 -1.13 -4.98 121.20 121.95 1cd3 s ILE 129 Ca 0.03 -0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 57.25 1cd3 s ILE 129 Cb -0.18 -2.62 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 1cd3 s ILE 129 CO 0.05 0.30 1.36 1.51 -1.23 0.00 0.00 174.94 176.93 1cd3 s ASP 130 N -1.70 6.71 0.00 3.58 -4.77 -1.26 -3.21 116.67 116.02 1cd3 s ASP 130 Ca 0.19 1.50 0.25 0.00 -3.30 0.00 0.00 52.55 51.20 1cd3 s ASP 130 Cb -0.11 -2.54 0.53 0.00 -1.09 0.00 0.00 42.92 39.71 1cd3 s ASP 130 CO 0.10 -0.99 1.43 1.33 0.70 0.00 0.00 175.17 177.74 1cd3 n VAL 131 N 5.91 0.00 -2.81 2.11 0.24 0.49 -4.84 118.33 119.44 1cd3 n VAL 131 Ca 0.15 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.91 1cd3 n VAL 131 Cb 0.46 0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 1cd3 n VAL 131 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1cd3 s LEU 132 N -2.55 4.61 0.26 1.34 1.43 -1.26 -4.73 118.68 117.79 1cd3 s LEU 132 Ca 0.21 1.87 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1cd3 s LEU 132 Cb 0.19 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.73 1cd3 s LEU 132 CO 0.56 0.16 1.54 -2.16 0.23 0.00 0.00 176.35 176.67 1cd3 s PRO 133 N -1.24 4.19 0.00 1.29 0.04 -1.26 -4.84 135.00 133.18 1cd3 s PRO 133 Ca 0.40 2.45 0.24 0.00 0.04 0.00 0.00 61.00 64.14 1cd3 s PRO 133 Cb -0.25 -3.07 1.41 0.00 0.04 0.00 0.00 34.50 32.63 1cd3 s PRO 133 CO 0.30 -0.56 1.82 0.54 0.04 0.00 0.00 177.00 179.15 1cd3 n ARG 134 N 2.51 0.67 -3.88 4.56 1.74 -1.26 -4.71 116.66 116.29 1cd3 n ARG 134 Ca 0.09 0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.07 1cd3 n ARG 134 Cb 0.38 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 1cd3 n ARG 134 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cd3 s THR 135 N -2.13 0.06 0.00 0.55 2.01 -1.26 -5.10 115.64 109.77 1cd3 s THR 135 Ca 0.34 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 1cd3 s THR 135 Cb 0.17 -0.31 -0.00 0.00 0.01 0.00 0.00 72.50 72.37 1cd3 s THR 135 CO 0.30 -0.28 1.01 -0.65 -0.69 0.00 0.00 174.62 174.32 1cd3 h PRO 136 N 4.93 -0.01 -0.06 4.92 0.10 -2.03 -3.09 132.00 136.76 1cd3 h PRO 136 Ca -0.29 0.00 -0.06 0.00 0.10 0.00 0.00 66.00 65.75 1cd3 h PRO 136 Cb 1.20 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.29 1cd3 h PRO 136 CO 0.42 -0.01 -0.26 0.78 0.10 0.00 0.00 178.00 179.03 1cd3 h GLY 137 N -0.01 0.11 -1.47 -0.55 0.00 -1.97 -3.47 103.07 95.70 1cd3 h GLY 137 Ca 0.00 -0.08 -0.47 0.00 0.00 0.00 0.00 47.33 46.78 1cd3 h GLY 137 CO -0.01 0.07 -0.70 0.70 0.00 0.00 0.00 176.54 176.60 1cd3 n ASN 138 N -4.20 -2.07 -3.81 0.19 4.13 -1.17 -4.73 115.26 103.60 1cd3 n ASN 138 Ca -0.02 -0.03 -0.25 0.00 1.68 0.00 0.00 54.58 55.96 1cd3 n ASN 138 Cb 0.33 -1.09 -0.17 0.00 -1.54 0.00 0.00 39.78 37.31 1cd3 n ASN 138 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1cd3 s ASN 139 N -2.03 2.01 0.14 6.41 0.01 0.25 -4.84 114.94 116.89 1cd3 s ASN 139 Ca 0.59 -0.28 -0.25 0.00 -0.71 0.00 0.00 52.86 52.21 1cd3 s ASN 139 Cb -0.17 -0.61 -0.07 0.00 0.41 0.00 0.00 41.25 40.81 1cd3 s ASN 139 CO 0.66 -0.19 0.78 0.54 -1.51 0.00 0.00 177.10 177.38 1cd3 s VAL 140 N 1.86 4.45 0.09 1.60 0.11 -1.26 -1.46 120.40 125.79 1cd3 s VAL 140 Ca 0.04 1.69 0.10 0.00 -2.93 0.00 0.00 61.98 60.88 1cd3 s VAL 140 Cb -0.13 -4.14 -0.03 0.00 -1.53 0.00 0.00 36.38 30.55 1cd3 s VAL 140 CO -0.07 0.48 -0.26 -0.31 -3.33 0.00 0.00 175.10 171.62 1cd3 s TYR 141 N -0.88 2.26 0.09 1.54 2.02 -0.10 -2.01 117.35 120.28 1cd3 s TYR 141 Ca 0.37 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.75 1cd3 s TYR 141 Cb -0.23 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1cd3 s TYR 141 CO 0.26 0.24 -0.20 0.08 -1.57 0.00 0.00 175.55 174.35 1cd3 s VAL 142 N -0.95 1.64 0.21 0.71 1.01 -1.08 -1.19 120.40 120.75 1cd3 s VAL 142 Ca 0.12 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.40 1cd3 s VAL 142 Cb -0.10 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.86 1cd3 s VAL 142 CO 0.04 -0.06 0.98 -0.83 0.00 0.00 0.00 175.10 175.23 1cd3 s GLY 143 N -1.83 0.08 -0.23 4.51 0.00 0.50 -2.22 107.32 108.14 1cd3 s GLY 143 Ca 0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.41 1cd3 s GLY 143 CO 0.04 1.43 0.01 -0.12 0.00 0.00 0.00 173.10 174.45 1cd3 s PHE 144 N -2.45 3.02 -0.09 1.90 2.19 -0.20 0.33 117.98 122.67 1cd3 s PHE 144 Ca 0.19 -0.63 0.01 0.00 0.33 0.00 0.00 56.93 56.82 1cd3 s PHE 144 Cb -0.03 -2.15 0.02 0.00 -1.31 0.00 0.00 43.02 39.55 1cd3 s PHE 144 CO 0.06 -0.41 -0.09 1.41 1.83 0.00 0.00 175.22 178.02 1cd3 s MET 145 N 1.43 1.58 0.20 10.12 -2.45 -0.41 -0.40 119.30 129.37 1cd3 s MET 145 Ca 0.05 -0.31 -0.08 0.00 -1.25 0.00 0.00 55.69 54.10 1cd3 s MET 145 Cb -0.15 -1.51 -0.07 0.00 1.25 0.00 0.00 34.83 34.36 1cd3 s MET 145 CO 0.01 -0.16 0.49 0.14 1.05 0.00 0.00 175.02 176.55 1cd3 s VAL 146 N 1.31 5.01 -0.20 10.11 -7.23 -1.18 -2.20 120.40 126.02 1cd3 s VAL 146 Ca -0.02 0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 60.31 1cd3 s VAL 146 Cb -0.14 -3.62 0.06 0.00 0.56 0.00 0.00 36.38 33.24 1cd3 s VAL 146 CO -0.04 -0.04 0.51 0.86 -0.31 0.00 0.00 175.10 176.07 1cd3 s TRP 147 N -1.77 -0.65 0.03 2.82 -0.11 -0.04 -3.34 118.94 115.87 1cd3 s TRP 147 Ca 0.45 1.46 -0.28 0.00 1.22 0.00 0.00 56.10 58.95 1cd3 s TRP 147 Cb -0.11 0.28 0.10 0.00 -1.50 0.00 0.00 33.47 32.24 1cd3 s TRP 147 CO 0.23 -0.33 1.22 0.45 -4.62 0.00 0.00 176.95 173.89 1cd3 s SER 148 N 0.84 -0.04 -1.22 5.86 0.15 -0.71 -1.00 113.70 117.59 1cd3 s SER 148 Ca -0.05 -0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.24 1cd3 s SER 148 Cb -0.05 0.24 0.20 0.00 -1.71 0.00 0.00 66.02 64.70 1cd3 s SER 148 CO -0.07 -0.46 1.62 -3.20 1.20 0.00 0.00 173.24 172.33 1cd3 n ASN 149 N -0.78 5.37 -4.68 5.45 4.05 -1.26 -1.31 115.26 122.11 1cd3 n ASN 149 Ca -0.04 -3.11 -0.41 0.00 0.45 0.00 0.00 54.58 51.47 1cd3 n ASN 149 Cb 0.61 -1.47 0.01 0.00 1.23 0.00 0.00 39.78 40.16 1cd3 n ASN 149 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1cd3 n PHE 150 N 3.90 1.87 -4.36 1.20 3.01 0.16 -4.85 117.46 118.40 1cd3 n PHE 150 Ca 0.35 0.52 -0.34 0.00 1.01 0.00 0.00 57.45 59.00 1cd3 n PHE 150 Cb 0.38 -2.34 -0.14 0.00 -0.01 0.00 0.00 39.48 37.37 1cd3 n PHE 150 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1cd3 s THR 151 N -1.21 3.10 0.16 4.37 2.01 -1.26 -1.39 115.64 121.42 1cd3 s THR 151 Ca 0.62 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1cd3 s THR 151 Cb -0.52 -2.35 -0.17 0.00 0.01 0.00 0.00 72.50 69.46 1cd3 s THR 151 CO 0.58 0.49 0.60 0.00 -0.69 0.00 0.00 174.62 175.60 1cd3 n ALA 152 N 4.12 -2.98 0.00 7.40 0.00 -1.24 -4.69 120.51 123.12 1cd3 n ALA 152 Ca -0.18 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1cd3 n ALA 152 Cb 0.52 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1cd3 n ALA 152 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1cd3 n THR 153 N 0.25 0.00 -4.34 0.00 5.66 -0.63 -4.86 114.28 110.37 1cd3 n THR 153 Ca 0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.98 1cd3 n THR 153 Cb 0.22 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.89 1cd3 n THR 153 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1cd3 s LYS 154 N -0.05 1.29 0.07 1.09 1.02 -1.26 0.12 119.74 122.03 1cd3 s LYS 154 Ca 0.00 -1.50 -0.06 0.00 0.02 0.00 0.00 55.97 54.43 1cd3 s LYS 154 Cb 0.00 -1.19 -0.02 0.00 -0.52 0.00 0.00 37.83 36.10 1cd3 s LYS 154 CO 0.00 0.22 0.10 0.00 -0.92 0.00 0.00 175.35 174.75 1cd3 s ARG 156 N -3.84 1.41 0.00 0.00 1.70 0.05 -1.01 118.95 117.26 1cd3 s ARG 156 Ca 0.05 -1.18 0.00 0.00 -0.47 0.00 0.00 55.73 54.13 1cd3 s ARG 156 Cb 0.06 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1cd3 s ARG 156 CO -0.10 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 173.96 1cd3 n GLY 157 N -0.33 0.45 3.03 3.88 0.00 0.70 -1.74 105.19 111.18 1cd3 n GLY 157 Ca -0.04 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.64 1cd3 n GLY 157 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cd3 s LEU 158 N 0.00 2.32 -0.05 0.99 2.34 -0.38 -1.14 118.68 122.76 1cd3 s LEU 158 Ca 0.00 -0.67 0.02 0.00 0.06 0.00 0.00 54.13 53.54 1cd3 s LEU 158 Cb 0.00 0.07 0.02 0.00 -0.56 0.00 0.00 46.19 45.72 1cd3 s LEU 158 CO 0.00 -0.37 -0.09 -0.69 -1.06 0.00 0.00 176.35 174.14 1cd3 s VAL 159 N -2.21 0.87 -0.04 1.48 1.01 0.10 0.09 120.40 121.71 1cd3 s VAL 159 Ca -0.08 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1cd3 s VAL 159 Cb -0.04 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 1cd3 s VAL 159 CO -0.03 0.29 -0.16 -0.55 0.00 0.00 0.00 175.10 174.65 1cd3 s SER 160 N 0.69 2.01 0.22 3.32 0.15 0.32 -1.07 113.70 119.33 1cd3 s SER 160 Ca -0.12 -0.33 0.11 0.00 0.70 0.00 0.00 55.95 56.31 1cd3 s SER 160 Cb -0.14 -0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 63.55 1cd3 s SER 160 CO 0.02 0.14 -0.20 -0.76 1.20 0.00 0.00 173.24 173.63 1cd3 s LEU 161 N 0.09 2.50 -0.23 3.45 1.02 0.37 -1.09 118.68 124.78 1cd3 s LEU 161 Ca -0.04 -0.94 -0.27 0.00 0.02 0.00 0.00 54.13 52.90 1cd3 s LEU 161 Cb -0.11 -1.02 0.12 0.00 0.02 0.00 0.00 46.19 45.20 1cd3 s LEU 161 CO 0.02 0.03 1.00 0.21 0.02 0.00 0.00 176.35 177.63 1cd3 s ASN 162 N -3.03 -0.44 -0.43 2.29 2.47 -0.23 -1.83 114.94 113.74 1cd3 s ASN 162 Ca 0.23 0.74 -0.01 0.00 0.42 0.00 0.00 52.86 54.23 1cd3 s ASN 162 Cb -0.06 0.70 0.12 0.00 -1.45 0.00 0.00 41.25 40.56 1cd3 s ASN 162 CO 0.11 -0.23 0.21 -1.58 -3.72 0.00 0.00 177.10 171.88 1cd3 s GLN 163 N -0.24 1.96 -0.83 0.43 0.74 -1.10 0.48 119.66 121.11 1cd3 s GLN 163 Ca 0.01 -1.96 -0.23 0.00 0.05 0.00 0.00 55.36 53.23 1cd3 s GLN 163 Cb -0.03 -3.52 -0.17 0.00 1.10 0.00 0.00 33.01 30.38 1cd3 s GLN 163 CO -0.03 -1.06 2.36 0.28 -0.55 0.00 0.00 175.29 176.29 1cd3 n VAL 164 N 4.32 0.00 -0.24 1.34 0.31 0.22 -4.44 118.33 119.84 1cd3 n VAL 164 Ca 0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1cd3 n VAL 164 Cb 0.41 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1cd3 n VAL 164 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cd3 n ILE 165 N 8.27 0.30 -3.62 2.52 3.06 -1.26 -3.68 119.36 124.95 1cd3 n ILE 165 Ca 0.50 -0.53 -0.05 0.00 -2.50 0.00 0.00 62.75 60.18 1cd3 n ILE 165 Cb 0.39 1.00 -0.04 0.00 0.54 0.00 0.00 39.64 41.52 1cd3 n ILE 165 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1cd3 s LYS 166 N -0.30 0.24 0.02 9.51 0.00 -1.26 -5.03 119.74 122.93 1cd3 s LYS 166 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 55.97 56.02 1cd3 s LYS 166 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 37.83 37.90 1cd3 s LYS 166 CO 0.00 -0.08 0.09 -1.21 0.00 0.00 0.00 175.35 174.15 1cd3 s GLU 167 N -1.18 3.05 0.08 1.78 2.02 -1.26 -5.09 118.70 118.10 1cd3 s GLU 167 Ca 0.06 -0.54 -0.19 0.00 0.02 0.00 0.00 54.97 54.32 1cd3 s GLU 167 Cb -0.01 -2.84 -0.07 0.00 0.10 0.00 0.00 34.13 31.32 1cd3 s GLU 167 CO -0.05 0.62 0.57 0.42 0.02 0.00 0.00 175.26 176.85 1cd3 s ILE 168 N -1.28 4.74 -0.18 -1.63 1.01 -1.26 -5.07 121.20 117.53 1cd3 s ILE 168 Ca 0.26 1.19 -0.09 0.00 0.00 0.00 0.00 60.65 62.01 1cd3 s ILE 168 Cb -0.12 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1cd3 s ILE 168 CO 0.17 0.53 0.12 0.27 0.00 0.00 0.00 174.94 176.03 1cd3 s ILE 169 N -1.14 5.36 0.24 2.92 -0.00 -1.26 -5.10 121.20 122.22 1cd3 s ILE 169 Ca 0.30 0.17 0.10 0.00 -0.00 0.00 0.00 60.65 61.22 1cd3 s ILE 169 Cb -0.19 -3.42 -0.05 0.00 -0.00 0.00 0.00 42.46 38.80 1cd3 s ILE 169 CO 0.19 0.48 -0.19 0.00 -0.00 0.00 0.00 174.94 175.42 1cd3 s LEU 171 N -3.31 4.22 -0.35 0.00 2.96 -1.26 -4.98 118.68 115.96 1cd3 s LEU 171 Ca 0.26 1.67 -0.01 0.00 -0.22 0.00 0.00 54.13 55.83 1cd3 s LEU 171 Cb -0.04 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.18 1cd3 s LEU 171 CO 0.12 -0.61 0.08 -1.10 -1.32 0.00 0.00 176.35 173.51 1cd3 s GLN 172 N 2.64 2.04 0.62 1.98 -0.21 -1.26 -5.00 119.66 120.46 1cd3 s GLN 172 Ca 0.52 -1.62 0.32 0.00 0.02 0.00 0.00 55.36 54.60 1cd3 s GLN 172 Cb -0.21 -3.32 1.79 0.00 1.00 0.00 0.00 33.01 32.27 1cd3 s GLN 172 CO 0.17 -0.86 2.12 -1.35 -2.12 0.00 0.00 175.29 173.24 1cd3 h PRO 173 N 7.91 0.00 -0.27 2.91 0.10 -2.04 -1.25 132.00 139.36 1cd3 h PRO 173 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.96 1cd3 h PRO 173 Cb 1.05 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.15 1cd3 h PRO 173 CO 0.59 0.00 0.00 1.28 0.10 0.00 0.00 178.00 179.97 1cd3 n LEU 174 N -3.52 2.24 -0.85 2.35 4.77 -1.26 -5.33 117.00 115.41 1cd3 n LEU 174 Ca 0.00 -0.98 0.12 0.00 -0.03 0.00 0.00 56.01 55.13 1cd3 n LEU 174 Cb 0.29 -0.18 0.20 0.00 -2.33 0.00 0.00 43.42 41.41 1cd3 n LEU 174 CO 0.24 0.49 0.69 0.29 -1.33 0.00 0.00 177.39 177.76