#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srd s THR 2 N 0.00 2.91 0.13 0.00 -1.32 -1.26 -4.09 115.64 112.01 1srd s THR 2 Ca 0.00 0.34 -0.08 0.00 -1.21 0.00 0.00 61.69 60.75 1srd s THR 2 Cb 0.00 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.22 1srd s THR 2 CO 0.00 -0.34 0.22 -0.54 -2.21 0.00 0.00 174.62 171.74 1srd s LYS 3 N -4.53 1.02 0.01 7.08 1.02 0.15 -4.94 119.74 119.55 1srd s LYS 3 Ca 0.65 -1.15 -0.18 0.00 0.02 0.00 0.00 55.97 55.32 1srd s LYS 3 Cb -0.21 0.34 0.03 0.00 -0.52 0.00 0.00 37.83 37.48 1srd s LYS 3 CO 0.52 -0.35 0.39 0.15 -0.92 0.00 0.00 175.35 175.14 1srd s LYS 4 N -3.95 0.83 0.04 1.68 1.02 -1.26 -2.73 119.74 115.38 1srd s LYS 4 Ca 0.14 -0.26 -0.19 0.00 0.02 0.00 0.00 55.97 55.69 1srd s LYS 4 Cb 0.04 0.37 0.04 0.00 -0.52 0.00 0.00 37.83 37.77 1srd s LYS 4 CO -0.03 -0.26 0.42 0.00 -0.92 0.00 0.00 175.35 174.56 1srd s ALA 5 N -1.95 -1.05 0.22 5.17 0.00 -0.44 -3.28 121.76 120.43 1srd s ALA 5 Ca -0.09 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1srd s ALA 5 Cb -0.02 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 1srd s ALA 5 CO 0.01 -0.45 0.07 0.08 0.00 0.00 0.00 175.76 175.47 1srd s VAL 6 N -2.40 0.50 -0.25 0.00 1.01 -0.55 -1.11 120.40 117.61 1srd s VAL 6 Ca -0.06 -1.99 -0.12 0.00 0.00 0.00 0.00 61.98 59.81 1srd s VAL 6 Cb -0.01 -2.44 0.09 0.00 0.00 0.00 0.00 36.38 34.02 1srd s VAL 6 CO -0.02 -0.17 0.58 0.00 0.00 0.00 0.00 175.10 175.50 1srd s ALA 7 N -3.79 -1.63 -0.63 5.51 0.00 0.16 -0.58 121.76 120.80 1srd s ALA 7 Ca 0.33 2.08 -0.06 0.00 0.00 0.00 0.00 51.96 54.32 1srd s ALA 7 Cb 0.07 -1.37 0.16 0.00 0.00 0.00 0.00 23.12 21.98 1srd s ALA 7 CO 0.10 -0.52 0.47 0.08 0.00 0.00 0.00 175.76 175.89 1srd s VAL 8 N 1.98 4.08 -0.02 0.00 1.01 -1.26 -0.45 120.40 125.73 1srd s VAL 8 Ca -0.08 -2.66 -0.37 0.00 0.00 0.00 0.00 61.98 58.88 1srd s VAL 8 Cb -0.08 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 1srd s VAL 8 CO -0.17 -0.88 1.60 0.18 0.00 0.00 0.00 175.10 175.83 1srd n LEU 9 N 3.83 2.49 -3.67 3.92 4.32 -0.71 -4.71 117.00 122.47 1srd n LEU 9 Ca 0.06 1.07 -0.09 0.00 -0.02 0.00 0.00 56.01 57.04 1srd n LEU 9 Cb 0.40 -1.26 -0.10 0.00 -1.62 0.00 0.00 43.42 40.84 1srd n LEU 9 CO 0.35 -0.54 0.09 -0.54 -1.22 0.00 0.00 177.39 175.53 1srd s LYS 10 N 2.04 0.41 0.10 3.23 1.02 -0.79 -2.94 119.74 122.82 1srd s LYS 10 Ca 0.88 0.95 0.00 0.00 0.02 0.00 0.00 55.97 57.83 1srd s LYS 10 Cb -0.88 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 36.59 1srd s LYS 10 CO 0.51 -0.19 0.01 0.41 -0.92 0.00 0.00 175.35 175.17 1srd n GLY 11 N 4.70 3.92 2.05 -3.33 0.00 -1.23 -3.90 105.19 107.40 1srd n GLY 11 Ca -0.17 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.43 1srd n GLY 11 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1srd n THR 12 N -0.33 2.90 -4.03 2.61 5.66 -1.26 -4.81 114.28 115.02 1srd n THR 12 Ca -0.04 -1.95 -0.10 0.00 -3.05 0.00 0.00 64.05 58.91 1srd n THR 12 Cb 0.13 -1.47 -0.06 0.00 -1.55 0.00 0.00 70.33 67.39 1srd n THR 12 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1srd s SER 13 N 0.46 0.01 -0.06 1.09 0.01 -1.26 -5.06 113.70 108.90 1srd s SER 13 Ca 0.39 -1.03 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 1srd s SER 13 Cb 0.27 0.57 -0.21 0.00 0.21 0.00 0.00 66.02 66.86 1srd s SER 13 CO -0.07 -1.12 3.43 0.59 0.41 0.00 0.00 173.24 176.48 1srd n ASN 14 N -0.45 5.42 -4.02 2.44 4.13 -1.26 -4.71 115.26 116.81 1srd n ASN 14 Ca -0.01 -2.58 -0.31 0.00 1.68 0.00 0.00 54.58 53.36 1srd n ASN 14 Cb 0.62 -1.38 -0.16 0.00 -1.54 0.00 0.00 39.78 37.33 1srd n ASN 14 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1srd s VAL 15 N 0.50 1.77 0.00 2.41 1.01 -1.26 -4.35 120.40 120.48 1srd s VAL 15 Ca 0.63 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1srd s VAL 15 Cb 0.31 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1srd s VAL 15 CO -0.03 0.15 0.00 -0.62 0.00 0.00 0.00 175.10 174.60 1srd n GLU 16 N 4.63 3.21 0.00 2.72 1.02 -1.08 -3.55 120.64 127.59 1srd n GLU 16 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1srd n GLU 16 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1srd n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1srd n GLY 17 N 5.00 3.11 3.64 0.62 0.00 -1.15 -4.42 105.19 111.99 1srd n GLY 17 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 1srd n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1srd s VAL 18 N -2.85 -0.15 -0.00 1.61 0.11 -0.68 -1.73 120.40 116.71 1srd s VAL 18 Ca 0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1srd s VAL 18 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1srd s VAL 18 CO 0.00 0.00 -0.23 0.68 -3.33 0.00 0.00 175.10 172.22 1srd s VAL 19 N 1.80 1.80 0.17 2.04 -7.23 0.41 -2.79 120.40 116.60 1srd s VAL 19 Ca -0.09 -1.05 0.11 0.00 -1.81 0.00 0.00 61.98 59.14 1srd s VAL 19 Cb -0.06 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1srd s VAL 19 CO -0.19 0.44 -0.25 0.42 -0.31 0.00 0.00 175.10 175.22 1srd s THR 20 N -0.60 2.29 0.01 5.32 -4.23 -0.89 0.38 115.64 117.91 1srd s THR 20 Ca 0.09 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 1srd s THR 20 Cb -0.09 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 1srd s THR 20 CO -0.00 -0.06 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.13 1srd s LEU 21 N -2.47 2.07 -0.04 4.79 1.02 -0.27 -2.18 118.68 121.61 1srd s LEU 21 Ca 0.18 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.05 1srd s LEU 21 Cb -0.08 -0.61 0.02 0.00 0.02 0.00 0.00 46.19 45.53 1srd s LEU 21 CO 0.08 0.11 -0.03 -0.89 0.02 0.00 0.00 176.35 175.64 1srd s THR 22 N -0.47 0.42 -0.01 5.49 2.01 -0.84 -1.32 115.64 120.92 1srd s THR 22 Ca 0.04 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1srd s THR 22 Cb -0.06 -0.45 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 1srd s THR 22 CO 0.00 0.19 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.49 1srd s GLN 23 N 0.86 0.46 -0.04 4.92 0.74 -1.11 -1.59 119.66 123.90 1srd s GLN 23 Ca -0.10 -0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.20 1srd s GLN 23 Cb -0.13 -0.45 -0.02 0.00 1.10 0.00 0.00 33.01 33.51 1srd s GLN 23 CO -0.00 0.09 -0.25 -1.21 -0.55 0.00 0.00 175.29 173.37 1srd s GLU 24 N 0.01 2.39 7.38 1.67 2.02 -1.26 -0.67 118.70 130.24 1srd s GLU 24 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1srd s GLU 24 Cb -0.04 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.06 1srd s GLU 24 CO -0.00 0.46 0.00 -0.25 0.02 0.00 0.00 175.26 175.49 1srd n ASP 25 N 2.73 0.00 -2.97 -0.19 8.00 -1.26 -2.78 116.55 120.08 1srd n ASP 25 Ca -0.17 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.18 1srd n ASP 25 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1srd n ASP 25 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1srd n ASP 26 N 4.65 1.31 0.00 -2.24 5.75 -1.26 -4.89 116.55 119.86 1srd n ASP 26 Ca 0.00 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.83 1srd n ASP 26 Cb 0.00 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1srd n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1srd n GLY 27 N 0.12 5.10 3.49 6.12 0.00 -1.12 -5.14 105.19 113.77 1srd n GLY 27 Ca 0.20 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 1srd n GLY 27 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1srd n PRO 28 N 0.00 -1.90 -3.71 1.61 -0.02 -1.26 -4.84 135.00 124.89 1srd n PRO 28 Ca 0.00 -0.52 -0.17 0.00 -2.02 0.00 0.00 63.50 60.79 1srd n PRO 28 Cb 0.00 -2.16 -0.17 0.00 -0.02 0.00 0.00 33.50 31.16 1srd n PRO 28 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1srd s THR 29 N -2.44 -0.11 -0.20 3.45 -4.23 -0.67 -4.22 115.64 107.21 1srd s THR 29 Ca 0.67 0.33 -0.19 0.00 -1.18 0.00 0.00 61.69 61.32 1srd s THR 29 Cb -0.24 -0.16 -0.03 0.00 1.34 0.00 0.00 72.50 73.41 1srd s THR 29 CO 0.64 0.14 0.54 -0.89 -0.54 0.00 0.00 174.62 174.50 1srd s THR 30 N 1.76 5.09 -0.17 3.99 2.01 -0.62 -1.78 115.64 125.93 1srd s THR 30 Ca -0.01 0.99 -0.00 0.00 0.31 0.00 0.00 61.69 62.98 1srd s THR 30 Cb -0.12 -3.86 -0.00 0.00 0.01 0.00 0.00 72.50 68.53 1srd s THR 30 CO -0.04 0.16 -0.14 0.68 -0.69 0.00 0.00 174.62 174.60 1srd s VAL 31 N 1.69 2.78 -0.34 3.82 -7.23 0.13 -1.98 120.40 119.26 1srd s VAL 31 Ca 0.25 -0.72 -0.15 0.00 -1.81 0.00 0.00 61.98 59.54 1srd s VAL 31 Cb -0.15 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1srd s VAL 31 CO 0.10 0.50 0.35 0.20 -0.31 0.00 0.00 175.10 175.94 1srd s ASN 32 N 0.92 6.17 -0.03 4.85 -0.87 -0.93 -1.62 114.94 123.43 1srd s ASN 32 Ca -0.03 -0.26 0.05 0.00 -1.57 0.00 0.00 52.86 51.06 1srd s ASN 32 Cb -0.15 -2.19 -0.03 0.00 -0.02 0.00 0.00 41.25 38.86 1srd s ASN 32 CO -0.01 -0.33 -0.18 0.68 -2.57 0.00 0.00 177.10 174.68 1srd s VAL 33 N 1.99 2.72 -0.19 1.60 -7.23 0.92 -2.11 120.40 118.09 1srd s VAL 33 Ca 0.11 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.28 1srd s VAL 33 Cb -0.17 -2.05 0.08 0.00 0.56 0.00 0.00 36.38 34.81 1srd s VAL 33 CO 0.12 0.55 0.44 -0.60 -0.31 0.00 0.00 175.10 175.29 1srd s ARG 34 N -0.81 0.39 -0.00 4.82 3.52 -1.12 -1.05 118.95 124.70 1srd s ARG 34 Ca 0.12 0.95 -0.06 0.00 -0.13 0.00 0.00 55.73 56.61 1srd s ARG 34 Cb -0.10 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1srd s ARG 34 CO 0.01 -0.20 0.11 0.42 -0.81 0.00 0.00 175.30 174.82 1srd s ILE 35 N 2.02 0.08 -0.02 4.11 1.01 -0.96 -1.68 121.20 125.76 1srd s ILE 35 Ca -0.06 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1srd s ILE 35 Cb -0.10 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1srd s ILE 35 CO -0.13 -0.34 -0.15 -0.44 0.00 0.00 0.00 174.94 173.87 1srd s SER 36 N -1.19 1.86 -0.66 3.58 0.01 -1.26 -1.03 113.70 115.01 1srd s SER 36 Ca -0.13 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.81 1srd s SER 36 Cb -0.07 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1srd s SER 36 CO 0.01 0.17 0.57 0.61 0.41 0.00 0.00 173.24 175.01 1srd n GLY 37 N 2.86 0.16 3.90 3.44 0.00 -0.38 -2.64 105.19 112.52 1srd n GLY 37 Ca -0.16 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1srd n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1srd s LEU 38 N -4.17 4.21 0.19 0.99 2.96 -1.12 -4.12 118.68 117.61 1srd s LEU 38 Ca 0.21 0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 53.97 1srd s LEU 38 Cb -0.09 -2.80 -0.08 0.00 0.50 0.00 0.00 46.19 43.72 1srd s LEU 38 CO 0.37 0.09 0.86 0.00 -1.32 0.00 0.00 176.35 176.34 1srd s ALA 39 N -1.67 3.39 0.29 5.97 0.00 -1.26 -4.34 121.76 124.13 1srd s ALA 39 Ca 0.34 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 1srd s ALA 39 Cb -0.11 -3.09 -0.15 0.00 0.00 0.00 0.00 23.12 19.77 1srd s ALA 39 CO 0.27 0.23 0.64 -0.35 0.00 0.00 0.00 175.76 176.55 1srd n PRO 40 N 1.65 0.53 0.00 0.00 -0.04 -1.25 -4.74 135.00 131.15 1srd n PRO 40 Ca -0.03 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1srd n PRO 40 Cb 0.48 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1srd n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1srd n GLY 41 N 1.74 -0.25 3.81 0.55 0.00 -0.87 -4.93 105.19 105.24 1srd n GLY 41 Ca 0.14 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 1srd n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1srd s LYS 42 N 0.00 4.30 0.00 1.61 1.02 -1.26 -1.29 119.74 124.12 1srd s LYS 42 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 55.97 56.98 1srd s LYS 42 Cb 0.00 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1srd s LYS 42 CO 0.00 0.29 0.00 0.72 -0.92 0.00 0.00 175.35 175.44 1srd n HIS 43 N 0.40 0.00 -4.09 3.18 8.25 -1.07 -3.38 115.22 118.51 1srd n HIS 43 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 1srd n HIS 43 Cb 0.51 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.50 1srd n HIS 43 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1srd s GLY 44 N 0.00 0.48 -0.24 -1.41 0.00 -1.00 -1.99 107.32 103.16 1srd s GLY 44 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 1srd s GLY 44 CO 0.00 -0.71 0.11 -0.12 0.00 0.00 0.00 173.10 172.38 1srd s PHE 45 N -1.14 0.32 0.18 1.90 5.36 0.18 -0.45 117.98 124.33 1srd s PHE 45 Ca -0.07 -0.69 0.05 0.00 -0.96 0.00 0.00 56.93 55.26 1srd s PHE 45 Cb -0.09 -0.84 -0.05 0.00 -0.34 0.00 0.00 43.02 41.70 1srd s PHE 45 CO 0.00 -0.71 -0.08 -1.01 -1.46 0.00 0.00 175.22 171.96 1srd s HIS 46 N 2.10 1.42 -0.28 10.12 3.76 -0.55 -1.58 115.29 130.28 1srd s HIS 46 Ca 0.06 -0.77 -0.09 0.00 -0.15 0.00 0.00 55.06 54.12 1srd s HIS 46 Cb -0.16 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 32.77 1srd s HIS 46 CO -0.25 0.10 0.12 -1.17 -0.85 0.00 0.00 174.74 172.68 1srd s LEU 47 N -3.23 3.79 0.27 0.89 1.98 0.07 -1.49 118.68 120.96 1srd s LEU 47 Ca 0.21 -0.33 -0.04 0.00 -2.89 0.00 0.00 54.13 51.08 1srd s LEU 47 Cb 0.03 -1.98 -0.05 0.00 0.66 0.00 0.00 46.19 44.85 1srd s LEU 47 CO 0.04 -0.11 0.51 -1.00 -1.89 0.00 0.00 176.35 173.90 1srd s HIS 48 N 1.63 3.48 0.10 5.38 3.76 0.33 -0.40 115.29 129.56 1srd s HIS 48 Ca 0.06 0.55 -0.23 0.00 -0.15 0.00 0.00 55.06 55.28 1srd s HIS 48 Cb -0.16 -2.03 -0.12 0.00 1.11 0.00 0.00 32.58 31.38 1srd s HIS 48 CO 0.05 0.22 1.72 0.93 -0.85 0.00 0.00 174.74 176.81 1srd h GLU 49 N 1.72 -0.09 -6.25 1.40 5.08 -0.59 -3.18 114.58 112.67 1srd h GLU 49 Ca -0.48 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.29 1srd h GLU 49 Cb 1.19 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.37 1srd h GLU 49 CO 0.66 -0.06 -0.61 -0.06 -1.00 0.00 0.00 179.01 177.94 1srd s PHE 50 N -6.18 3.06 -1.03 4.33 0.08 -0.55 -4.69 117.98 112.99 1srd s PHE 50 Ca -0.14 -0.03 0.27 0.00 0.12 0.00 0.00 56.93 57.15 1srd s PHE 50 Cb 0.07 -1.50 0.87 0.00 -0.57 0.00 0.00 43.02 41.88 1srd s PHE 50 CO 0.66 0.51 1.66 0.41 -0.10 0.00 0.00 175.22 178.37 1srd n GLY 51 N -0.03 -1.34 0.00 4.36 0.00 -1.09 -3.42 105.19 103.67 1srd n GLY 51 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1srd n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1srd n ASP 52 N -1.47 0.00 0.00 1.61 8.00 -1.26 -4.70 116.55 118.73 1srd n ASP 52 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1srd n ASP 52 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1srd n ASP 52 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1srd n THR 53 N 0.00 0.00 0.04 -3.53 -1.04 -1.24 -4.96 114.28 103.54 1srd n THR 53 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1srd n THR 53 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 1srd n THR 53 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1srd h THR 54 N 0.00 1.34 -2.35 12.58 1.35 -1.94 -3.16 112.91 120.74 1srd h THR 54 Ca 0.00 -1.84 -0.70 0.00 -0.55 0.00 0.00 66.41 63.32 1srd h THR 54 Cb 0.00 1.84 -0.35 0.00 -1.73 0.00 0.00 68.15 67.91 1srd h THR 54 CO 0.00 0.56 0.13 -3.20 -0.25 0.00 0.00 175.52 172.76 1srd n ASN 55 N -3.93 5.63 0.00 5.36 4.05 -1.26 -5.05 115.26 120.06 1srd n ASN 55 Ca -0.03 -3.62 0.00 0.00 0.45 0.00 0.00 54.58 51.38 1srd n ASN 55 Cb 0.60 -0.88 0.00 0.00 1.23 0.00 0.00 39.78 40.73 1srd n ASN 55 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1srd n GLY 56 N 0.19 1.86 0.04 8.20 0.00 -1.19 -2.50 105.19 111.79 1srd n GLY 56 Ca 0.36 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1srd n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srd n MET 58 N -1.86 0.90 -0.10 0.00 2.00 -1.04 -2.83 117.12 114.20 1srd n MET 58 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 57.70 57.74 1srd n MET 58 Cb 0.39 -1.50 0.09 0.00 0.00 0.00 0.00 33.22 32.20 1srd n MET 58 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1srd n SER 59 N -1.00 2.43 0.16 7.83 3.41 -1.21 -4.33 113.62 120.89 1srd n SER 59 Ca 0.21 -1.86 0.13 0.00 -0.26 0.00 0.00 58.87 57.10 1srd n SER 59 Cb 0.16 -0.13 0.46 0.00 -0.26 0.00 0.00 64.21 64.44 1srd n SER 59 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1srd h THR 60 N 1.41 0.00 -0.36 6.66 1.35 -1.76 -3.40 112.91 116.82 1srd h THR 60 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1srd h THR 60 Cb 0.59 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1srd h THR 60 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1srd n GLY 61 N 0.54 -1.17 2.68 5.82 0.00 -1.26 -1.49 105.19 110.31 1srd n GLY 61 Ca 0.03 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 1srd n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1srd n PRO 62 N -0.18 -3.06 -2.48 1.61 -0.04 -1.26 -4.61 135.00 124.98 1srd n PRO 62 Ca 0.00 -1.32 -0.40 0.00 -0.04 0.00 0.00 63.50 61.74 1srd n PRO 62 Cb 0.00 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1srd n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1srd s HIS 63 N -2.39 3.58 -0.24 0.54 3.76 -1.26 -0.31 115.29 118.96 1srd s HIS 63 Ca 0.55 1.67 -0.38 0.00 -0.15 0.00 0.00 55.06 56.75 1srd s HIS 63 Cb -0.06 -3.29 -0.14 0.00 1.11 0.00 0.00 32.58 30.20 1srd s HIS 63 CO 0.43 -0.59 1.85 0.34 -0.85 0.00 0.00 174.74 175.93 1srd n PHE 64 N 1.49 2.06 -3.28 1.40 7.35 0.46 -4.53 117.46 122.42 1srd n PHE 64 Ca -0.00 0.35 -0.21 0.00 -0.76 0.00 0.00 57.45 56.83 1srd n PHE 64 Cb 0.45 -2.53 -0.08 0.00 0.35 0.00 0.00 39.48 37.68 1srd n PHE 64 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1srd s ASN 65 N 4.28 0.99 -0.01 -2.13 2.47 -1.26 -1.06 114.94 118.22 1srd s ASN 65 Ca 0.99 -2.49 -0.18 0.00 0.42 0.00 0.00 52.86 51.60 1srd s ASN 65 Cb -0.94 0.17 -0.34 0.00 -1.45 0.00 0.00 41.25 38.69 1srd s ASN 65 CO 0.60 -0.18 0.92 1.55 -3.72 0.00 0.00 177.10 176.28 1srd h PRO 66 N 5.89 0.44 0.00 0.43 0.13 -1.90 -3.24 132.00 133.74 1srd h PRO 66 Ca 0.17 -0.76 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1srd h PRO 66 Cb 0.98 0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1srd h PRO 66 CO 0.26 1.36 0.00 -0.25 -0.23 0.00 0.00 178.00 179.15 1srd n ASP 67 N -3.86 0.00 -3.11 1.44 9.92 -1.26 -4.94 116.55 114.74 1srd n ASP 67 Ca -0.17 -0.98 -0.05 0.00 -0.53 0.00 0.00 54.79 53.06 1srd n ASP 67 Cb 1.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.49 1srd n ASP 67 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1srd n LYS 68 N -0.93 -1.26 -2.44 -1.24 5.02 -1.23 -5.03 118.16 111.06 1srd n LYS 68 Ca 0.17 1.35 -0.04 0.00 -2.02 0.00 0.00 58.31 57.77 1srd n LYS 68 Cb 0.08 -2.26 -0.01 0.00 -0.02 0.00 0.00 35.03 32.82 1srd n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1srd n LYS 69 N 0.92 0.41 -2.71 1.97 5.02 -1.26 -5.12 118.16 117.39 1srd n LYS 69 Ca -0.01 -0.65 -0.23 0.00 -2.02 0.00 0.00 58.31 55.41 1srd n LYS 69 Cb 0.41 0.45 0.10 0.00 -0.02 0.00 0.00 35.03 35.98 1srd n LYS 69 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1srd s THR 70 N -2.08 2.10 0.33 -0.18 -4.23 -0.96 -4.80 115.64 105.82 1srd s THR 70 Ca 0.06 -0.71 -0.22 0.00 -1.18 0.00 0.00 61.69 59.64 1srd s THR 70 Cb 0.00 -2.39 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 1srd s THR 70 CO 0.04 0.00 0.87 -2.28 -0.54 0.00 0.00 174.62 172.71 1srd s HIS 71 N -3.04 3.55 0.05 3.99 2.46 -0.99 -1.71 115.29 119.60 1srd s HIS 71 Ca 0.66 1.58 -0.04 0.00 0.47 0.00 0.00 55.06 57.73 1srd s HIS 71 Cb -0.05 -2.79 0.02 0.00 -0.13 0.00 0.00 32.58 29.63 1srd s HIS 71 CO 0.43 0.15 0.21 0.41 -2.47 0.00 0.00 174.74 173.47 1srd n GLY 72 N 0.19 1.25 3.92 1.59 0.00 -1.26 -4.42 105.19 106.45 1srd n GLY 72 Ca 0.02 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1srd n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srd s ALA 73 N -1.22 3.55 0.21 4.61 0.00 -1.25 -4.77 121.76 122.90 1srd s ALA 73 Ca 0.05 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 1srd s ALA 73 Cb -0.01 -2.35 0.24 0.00 0.00 0.00 0.00 23.12 21.00 1srd s ALA 73 CO 0.01 -0.11 1.61 -1.35 0.00 0.00 0.00 175.76 175.93 1srd h PRO 74 N 0.72 -0.03 -5.09 0.00 0.11 -1.86 -2.71 132.00 123.15 1srd h PRO 74 Ca -0.48 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 64.93 1srd h PRO 74 Cb 1.21 0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 1srd h PRO 74 CO 0.62 -0.02 1.13 -1.83 -0.21 0.00 0.00 178.00 177.69 1srd s GLU 75 N -6.20 3.77 -0.21 1.05 4.04 -1.26 -4.84 118.70 115.05 1srd s GLU 75 Ca -0.14 -1.96 -0.29 0.00 0.04 0.00 0.00 54.97 52.62 1srd s GLU 75 Cb 0.19 -5.04 0.14 0.00 0.02 0.00 0.00 34.13 29.45 1srd s GLU 75 CO 0.73 -1.84 1.08 -0.51 -1.84 0.00 0.00 175.26 172.89 1srd s ASP 76 N 3.55 -0.32 -0.11 0.83 1.01 -1.02 -5.07 116.67 115.54 1srd s ASP 76 Ca 0.38 0.42 -0.27 0.00 0.71 0.00 0.00 52.55 53.79 1srd s ASP 76 Cb -0.03 0.36 -0.27 0.00 1.01 0.00 0.00 42.92 43.99 1srd s ASP 76 CO -0.06 -0.24 0.83 -0.08 0.21 0.00 0.00 175.17 175.83 1srd h GLU 77 N 2.83 0.07 0.00 8.23 4.22 -1.88 -3.36 114.58 124.68 1srd h GLU 77 Ca -0.19 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.14 1srd h GLU 77 Cb 1.17 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1srd h GLU 77 CO 0.25 1.02 0.00 0.28 -2.18 0.00 0.00 179.01 178.38 1srd n VAL 78 N -4.53 1.47 -1.20 0.32 0.31 -1.26 -4.92 118.33 108.53 1srd n VAL 78 Ca -0.11 0.47 -0.39 0.00 -0.01 0.00 0.00 64.34 64.31 1srd n VAL 78 Cb 0.53 -1.42 -0.01 0.00 -0.91 0.00 0.00 33.84 32.04 1srd n VAL 78 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1srd n ARG 79 N -1.74 0.00 0.00 5.55 0.63 -1.24 -2.27 116.66 117.59 1srd n ARG 79 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1srd n ARG 79 Cb 0.06 -0.91 0.00 0.00 0.45 0.00 0.00 32.46 32.06 1srd n ARG 79 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1srd n HIS 80 N -0.78 0.00 0.00 -0.14 8.25 -0.69 -4.55 115.22 117.30 1srd n HIS 80 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1srd n HIS 80 Cb 0.34 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1srd n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1srd n ALA 81 N -1.61 0.00 0.11 -1.41 0.00 -1.20 -4.35 120.51 112.05 1srd n ALA 81 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1srd n ALA 81 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1srd n ALA 81 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1srd h GLY 82 N 0.00 0.00 -7.45 0.00 0.00 -1.26 -3.42 103.07 90.94 1srd h GLY 82 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1srd h GLY 82 CO 0.00 0.00 1.60 1.22 0.00 0.00 0.00 176.54 179.36 1srd n ASP 83 N -3.32 1.77 -0.92 0.19 8.00 -1.26 -0.75 116.55 120.26 1srd n ASP 83 Ca 0.01 -0.40 0.09 0.00 0.71 0.00 0.00 54.79 55.20 1srd n ASP 83 Cb 0.81 -1.42 0.17 0.00 -0.02 0.00 0.00 41.12 40.66 1srd n ASP 83 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1srd n LEU 84 N 14.70 3.08 0.00 0.64 4.32 -0.62 -4.18 117.00 134.95 1srd n LEU 84 Ca 0.45 -1.54 0.00 0.00 -0.02 0.00 0.00 56.01 54.89 1srd n LEU 84 Cb 0.42 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1srd n LEU 84 CO 0.76 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 178.22 1srd n GLY 85 N 1.12 -0.31 3.61 -0.72 0.00 -1.19 -4.76 105.19 102.93 1srd n GLY 85 Ca 0.15 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1srd n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1srd s ASN 86 N -4.00 4.63 0.08 1.61 -0.87 -1.26 0.50 114.94 115.64 1srd s ASN 86 Ca 0.00 -0.21 0.09 0.00 -1.57 0.00 0.00 52.86 51.17 1srd s ASN 86 Cb 0.00 -1.04 -0.04 0.00 -0.02 0.00 0.00 41.25 40.16 1srd s ASN 86 CO 0.00 0.24 -0.22 0.27 -2.57 0.00 0.00 177.10 174.82 1srd s ILE 87 N -1.10 2.52 -0.22 0.60 -4.36 -1.26 -4.94 121.20 112.43 1srd s ILE 87 Ca 0.20 -1.45 -0.08 0.00 -0.26 0.00 0.00 60.65 59.06 1srd s ILE 87 Cb -0.11 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1srd s ILE 87 CO 0.11 0.23 0.08 -0.69 0.24 0.00 0.00 174.94 174.90 1srd s VAL 88 N -0.98 4.58 0.10 8.37 1.01 -1.26 -2.58 120.40 129.64 1srd s VAL 88 Ca 0.15 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1srd s VAL 88 Cb -0.10 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1srd s VAL 88 CO 0.06 0.38 0.48 0.00 0.00 0.00 0.00 175.10 176.02 1srd s ALA 89 N 1.11 3.65 1.00 5.51 0.00 -0.41 -4.42 121.76 128.20 1srd s ALA 89 Ca 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 1srd s ALA 89 Cb -0.14 -2.42 0.15 0.00 0.00 0.00 0.00 23.12 20.71 1srd s ALA 89 CO 0.03 0.50 0.87 0.09 0.00 0.00 0.00 175.76 177.25 1srd n ASN 90 N 1.02 0.05 0.21 0.00 3.02 0.28 -2.05 115.26 117.79 1srd n ASN 90 Ca -0.08 -1.31 0.08 0.00 -0.03 0.00 0.00 54.58 53.24 1srd n ASN 90 Cb 0.52 -0.67 0.44 0.00 -0.61 0.00 0.00 39.78 39.47 1srd n ASN 90 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1srd h THR 91 N -1.51 0.78 -0.04 3.41 2.02 -1.97 -1.50 112.91 114.11 1srd h THR 91 Ca -0.28 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.69 1srd h THR 91 Cb 0.78 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1srd h THR 91 CO 0.20 0.28 0.00 0.47 0.37 0.00 0.00 175.52 176.84 1srd n ASP 92 N -3.58 1.98 -0.56 4.18 9.92 -1.26 -4.88 116.55 122.35 1srd n ASP 92 Ca -0.01 -1.66 -0.05 0.00 -0.53 0.00 0.00 54.79 52.54 1srd n ASP 92 Cb 0.43 -0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1srd n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1srd n GLY 93 N 1.23 0.17 3.94 0.44 0.00 -0.56 -4.58 105.19 105.83 1srd n GLY 93 Ca 0.17 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1srd n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1srd s VAL 94 N -2.25 5.27 -0.04 1.61 -7.23 -1.26 -1.25 120.40 115.26 1srd s VAL 94 Ca 0.00 -0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1srd s VAL 94 Cb -0.00 -3.75 0.03 0.00 0.56 0.00 0.00 36.38 33.22 1srd s VAL 94 CO 0.00 -0.14 0.03 0.00 -0.31 0.00 0.00 175.10 174.68 1srd s ALA 95 N -1.81 0.29 -0.20 1.32 0.00 -0.20 -0.55 121.76 120.60 1srd s ALA 95 Ca 0.36 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.48 1srd s ALA 95 Cb -0.11 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.57 1srd s ALA 95 CO 0.29 -0.31 -0.04 -1.21 0.00 0.00 0.00 175.76 174.49 1srd s GLU 96 N 1.64 1.46 0.22 0.00 2.02 -1.25 -2.26 118.70 120.52 1srd s GLU 96 Ca -0.01 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.28 1srd s GLU 96 Cb -0.13 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 1srd s GLU 96 CO -0.03 -0.54 -0.07 0.00 0.02 0.00 0.00 175.26 174.64 1srd s ALA 97 N 1.53 1.90 -0.40 5.21 0.00 -0.22 -4.93 121.76 124.85 1srd s ALA 97 Ca -0.03 -1.71 0.03 0.00 0.00 0.00 0.00 51.96 50.26 1srd s ALA 97 Cb -0.17 0.17 0.16 0.00 0.00 0.00 0.00 23.12 23.29 1srd s ALA 97 CO -0.07 -0.09 0.35 0.99 0.00 0.00 0.00 175.76 176.93 1srd s THR 98 N -3.19 0.14 -0.05 0.00 2.01 -1.24 -0.06 115.64 113.25 1srd s THR 98 Ca 0.24 -2.22 -0.22 0.00 0.31 0.00 0.00 61.69 59.81 1srd s THR 98 Cb 0.03 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1srd s THR 98 CO 0.07 -1.05 0.63 -0.63 -0.69 0.00 0.00 174.62 172.95 1srd s ILE 99 N 0.42 5.01 -0.31 1.82 1.09 -0.64 -4.89 121.20 123.70 1srd s ILE 99 Ca 0.29 1.30 0.03 0.00 -1.10 0.00 0.00 60.65 61.16 1srd s ILE 99 Cb -0.03 -3.97 0.09 0.00 -1.06 0.00 0.00 42.46 37.49 1srd s ILE 99 CO -0.13 0.32 0.02 -0.69 -0.10 0.00 0.00 174.94 174.36 1srd s VAL 100 N 0.41 1.96 0.25 2.92 1.01 -1.26 0.20 120.40 125.88 1srd s VAL 100 Ca 0.33 -1.96 0.11 0.00 0.00 0.00 0.00 61.98 60.47 1srd s VAL 100 Cb -0.18 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1srd s VAL 100 CO 0.17 -0.46 -0.16 -0.62 0.00 0.00 0.00 175.10 174.02 1srd s ASP 101 N 1.10 3.81 -0.20 3.32 2.15 -0.73 -4.91 116.67 121.21 1srd s ASP 101 Ca 0.06 -0.88 0.16 0.00 0.43 0.00 0.00 52.55 52.32 1srd s ASP 101 Cb -0.19 -0.44 0.63 0.00 -0.30 0.00 0.00 42.92 42.62 1srd s ASP 101 CO -0.10 0.06 1.54 -3.20 -0.17 0.00 0.00 175.17 173.29 1srd n ASN 102 N -0.43 4.52 0.00 -0.34 2.85 -1.26 -1.68 115.26 118.92 1srd n ASN 102 Ca -0.07 -2.97 0.00 0.00 -0.11 0.00 0.00 54.58 51.43 1srd n ASN 102 Cb 0.59 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1srd n ASN 102 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1srd n GLN 103 N -0.09 0.45 -3.51 1.20 6.02 -1.26 -4.83 117.38 115.35 1srd n GLN 103 Ca 0.23 -0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 56.74 1srd n GLN 103 Cb 0.99 -0.61 -0.08 0.00 1.02 0.00 0.00 30.24 31.56 1srd n GLN 103 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1srd n ILE 104 N -0.11 2.67 -0.46 5.09 -5.35 -1.26 -4.92 119.36 115.01 1srd n ILE 104 Ca 0.00 -5.22 -0.28 0.00 -0.27 0.00 0.00 62.75 56.97 1srd n ILE 104 Cb 0.10 -2.16 0.26 0.00 -1.74 0.00 0.00 39.64 36.11 1srd n ILE 104 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1srd n PRO 105 N 1.34 -2.67 0.00 6.28 -0.04 -1.26 -4.80 135.00 133.86 1srd n PRO 105 Ca 0.26 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1srd n PRO 105 Cb 0.38 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1srd n PRO 105 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1srd n LEU 106 N -4.83 0.18 -4.36 1.53 7.99 -1.26 -1.81 117.00 114.44 1srd n LEU 106 Ca 0.02 -0.50 -0.19 0.00 -0.01 0.00 0.00 56.01 55.33 1srd n LEU 106 Cb 0.55 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.76 1srd n LEU 106 CO 0.57 0.05 -0.45 0.42 -1.51 0.00 0.00 177.39 176.47 1srd s THR 107 N -0.64 1.82 0.00 -5.08 -4.23 -1.26 -4.77 115.64 101.49 1srd s THR 107 Ca 0.00 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.28 1srd s THR 107 Cb 0.00 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1srd s THR 107 CO 0.00 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1srd n GLY 108 N -0.39 0.94 3.59 3.99 0.00 -1.26 -4.30 105.19 107.77 1srd n GLY 108 Ca -0.08 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 1srd n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1srd n PRO 109 N 0.00 0.00 -0.76 1.61 -0.04 -1.26 -2.50 135.00 132.05 1srd n PRO 109 Ca 0.00 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1srd n PRO 109 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1srd n PRO 109 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1srd n ASN 110 N -2.54 0.00 -4.66 3.54 4.13 -1.26 -4.90 115.26 109.57 1srd n ASN 110 Ca 0.11 0.00 -0.46 0.00 1.68 0.00 0.00 54.58 55.92 1srd n ASN 110 Cb 0.51 -1.06 -0.03 0.00 -1.54 0.00 0.00 39.78 37.66 1srd n ASN 110 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1srd n SER 111 N 0.00 2.65 -1.92 6.41 2.88 -1.04 -4.41 113.62 118.19 1srd n SER 111 Ca 0.00 1.13 -0.02 0.00 -1.33 0.00 0.00 58.87 58.65 1srd n SER 111 Cb 0.00 -1.40 0.32 0.00 -0.75 0.00 0.00 64.21 62.38 1srd n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1srd n VAL 112 N 2.16 2.76 -2.56 2.46 0.24 -0.75 -4.90 118.33 117.74 1srd n VAL 112 Ca 0.13 -1.47 -0.42 0.00 -2.04 0.00 0.00 64.34 60.55 1srd n VAL 112 Cb 0.30 -0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.28 1srd n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1srd s VAL 113 N -2.80 4.35 0.00 3.34 1.01 -1.26 -3.16 120.40 121.89 1srd s VAL 113 Ca 0.52 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.25 1srd s VAL 113 Cb 0.41 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1srd s VAL 113 CO 0.14 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1srd n GLY 114 N 2.88 0.59 0.00 4.51 0.00 -0.96 -5.04 105.19 107.18 1srd n GLY 114 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1srd n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1srd n ARG 115 N -2.53 1.82 -4.04 1.61 1.74 -1.19 -2.65 116.66 111.42 1srd n ARG 115 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1srd n ARG 115 Cb 0.03 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.35 1srd n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1srd s ALA 116 N -2.00 0.35 -0.18 7.54 0.00 -1.20 -1.50 121.76 124.77 1srd s ALA 116 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 1srd s ALA 116 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1srd s ALA 116 CO 0.00 -0.01 0.02 -0.51 0.00 0.00 0.00 175.76 175.25 1srd s LEU 117 N -0.90 3.50 -0.08 0.00 1.43 -0.84 -0.51 118.68 121.28 1srd s LEU 117 Ca -0.06 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1srd s LEU 117 Cb -0.06 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1srd s LEU 117 CO -0.00 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.95 1srd s VAL 118 N 0.52 0.97 -0.25 -1.59 1.01 -0.56 -2.09 120.40 118.41 1srd s VAL 118 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1srd s VAL 118 Cb -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1srd s VAL 118 CO 0.02 0.34 0.33 0.54 0.00 0.00 0.00 175.10 176.33 1srd s VAL 119 N 1.16 5.22 0.36 2.92 0.11 -0.71 -1.48 120.40 127.98 1srd s VAL 119 Ca -0.06 0.51 -0.07 0.00 -2.93 0.00 0.00 61.98 59.44 1srd s VAL 119 Cb -0.14 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 30.99 1srd s VAL 119 CO -0.02 0.21 0.66 -1.00 -3.33 0.00 0.00 175.10 171.62 1srd s HIS 120 N 1.76 3.49 0.09 1.54 3.76 0.40 -1.97 115.29 124.35 1srd s HIS 120 Ca 0.14 0.79 -0.01 0.00 -0.15 0.00 0.00 55.06 55.82 1srd s HIS 120 Cb -0.15 -2.23 -0.26 0.00 1.11 0.00 0.00 32.58 31.04 1srd s HIS 120 CO 0.09 0.01 1.18 1.05 -0.85 0.00 0.00 174.74 176.22 1srd h GLU 121 N 1.27 0.20 -6.53 1.40 4.11 -0.30 -3.18 114.58 111.54 1srd h GLU 121 Ca -0.48 -0.34 -0.42 0.00 0.07 0.00 0.00 59.36 58.20 1srd h GLU 121 Cb 1.19 0.12 0.03 0.00 0.50 0.00 0.00 28.75 30.59 1srd h GLU 121 CO 0.64 1.16 -0.21 -0.51 0.07 0.00 0.00 179.01 180.16 1srd s LEU 122 N -7.03 3.57 0.20 3.06 2.01 -0.98 -4.70 118.68 114.82 1srd s LEU 122 Ca -0.03 -0.33 -0.30 0.00 0.01 0.00 0.00 54.13 53.48 1srd s LEU 122 Cb 0.08 -2.71 -0.08 0.00 0.01 0.00 0.00 46.19 43.49 1srd s LEU 122 CO 0.87 -0.84 0.99 -1.83 1.01 0.00 0.00 176.35 176.55 1srd s GLU 123 N -4.44 4.75 -0.08 1.70 -1.05 -1.22 -2.39 118.70 115.97 1srd s GLU 123 Ca 0.55 1.56 -0.26 0.00 -0.15 0.00 0.00 54.97 56.68 1srd s GLU 123 Cb -0.10 -3.29 -0.03 0.00 -0.44 0.00 0.00 34.13 30.27 1srd s GLU 123 CO 0.34 0.33 0.81 0.34 0.95 0.00 0.00 175.26 178.03 1srd s ASP 124 N -0.67 7.07 0.49 0.83 2.15 -0.84 -4.34 116.67 121.36 1srd s ASP 124 Ca 0.44 1.30 0.20 0.00 0.43 0.00 0.00 52.55 54.93 1srd s ASP 124 Cb -0.27 -2.46 1.25 0.00 -0.30 0.00 0.00 42.92 41.14 1srd s ASP 124 CO 0.33 -0.24 2.00 0.44 -0.17 0.00 0.00 175.17 177.53 1srd h ASP 125 N 6.94 0.14 -0.01 -0.34 5.19 0.24 -3.46 116.42 125.12 1srd h ASP 125 Ca -0.37 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.04 1srd h ASP 125 Cb 1.18 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 1srd h ASP 125 CO 0.78 0.08 -0.00 0.18 -3.12 0.00 0.00 179.24 177.15 1srd n LEU 126 N -4.43 -0.01 0.00 1.55 4.32 -1.26 -2.77 117.00 114.40 1srd n LEU 126 Ca 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 1srd n LEU 126 Cb 0.49 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1srd n LEU 126 CO 0.35 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 1srd n GLY 127 N -2.94 1.09 0.19 -0.72 0.00 -1.26 -3.79 105.19 97.77 1srd n GLY 127 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1srd n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srd h LYS 128 N 2.98 0.62 -6.96 1.61 1.57 -1.84 -3.45 116.57 111.12 1srd h LYS 128 Ca 0.00 -0.52 -0.43 0.00 -1.87 0.00 0.00 60.65 57.84 1srd h LYS 128 Cb 0.00 0.11 0.22 0.00 0.08 0.00 0.00 32.23 32.64 1srd h LYS 128 CO 0.00 1.14 -0.33 0.41 -0.57 0.00 0.00 179.45 180.10 1srd n GLY 129 N 0.72 -2.42 0.19 3.86 0.00 -1.26 -4.98 105.19 101.30 1srd n GLY 129 Ca -0.08 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.82 1srd n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1srd n GLY 130 N 1.43 1.18 0.00 -0.02 0.00 -1.26 -4.82 105.19 101.70 1srd n GLY 130 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1srd n GLY 130 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1srd n HIS 131 N -0.44 0.00 0.00 1.61 -0.00 -1.26 -4.88 115.22 110.25 1srd n HIS 131 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1srd n HIS 131 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 1srd n HIS 131 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1srd n GLU 132 N -0.75 0.00 0.00 1.57 0.28 -1.26 -4.91 120.64 115.57 1srd n GLU 132 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 1srd n GLU 132 Cb 0.00 0.00 0.44 0.00 1.43 0.00 0.00 31.44 33.31 1srd n GLU 132 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1srd n LEU 133 N 0.00 1.32 -0.23 -1.84 4.77 -1.26 -4.41 117.00 115.35 1srd n LEU 133 Ca 0.00 -0.40 0.04 0.00 -0.03 0.00 0.00 56.01 55.61 1srd n LEU 133 Cb 0.00 -0.06 0.15 0.00 -2.33 0.00 0.00 43.42 41.19 1srd n LEU 133 CO 0.00 0.23 0.90 0.28 -1.33 0.00 0.00 177.39 177.47 1srd h SER 134 N 1.88 -0.08 0.00 -1.43 0.02 -1.89 0.41 113.55 112.47 1srd h SER 134 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1srd h SER 134 Cb 0.52 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1srd h SER 134 CO 0.00 -0.06 0.00 -0.81 -1.14 0.00 0.00 176.83 174.82 1srd n PRO 135 N -5.19 0.94 0.07 3.45 -0.04 -1.26 -2.43 135.00 130.53 1srd n PRO 135 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1srd n PRO 135 Cb 0.42 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1srd n PRO 135 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1srd n THR 136 N -0.53 1.02 0.30 0.52 -1.04 -0.10 -2.34 114.28 112.12 1srd n THR 136 Ca 0.01 0.34 0.03 0.00 -2.04 0.00 0.00 64.05 62.40 1srd n THR 136 Cb 0.01 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.10 1srd n THR 136 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1srd n THR 137 N -3.50 0.00 -1.63 12.58 -1.04 0.12 -4.80 114.28 116.02 1srd n THR 137 Ca 0.00 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.05 61.47 1srd n THR 137 Cb 0.00 1.06 -0.04 0.00 -1.82 0.00 0.00 70.33 69.53 1srd n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1srd n GLY 138 N 0.87 0.97 3.76 3.41 0.00 -0.85 -3.56 105.19 109.78 1srd n GLY 138 Ca 0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1srd n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1srd n ASN 139 N -0.27 -5.14 0.00 1.61 5.15 -1.24 0.88 115.26 116.25 1srd n ASN 139 Ca -0.14 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 1srd n ASN 139 Cb 0.49 -2.97 0.00 0.00 -0.53 0.00 0.00 39.78 36.77 1srd n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1srd n ALA 140 N -4.24 1.94 -0.13 5.20 0.00 -1.23 -4.60 120.51 117.45 1srd n ALA 140 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1srd n ALA 140 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 1srd n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1srd n GLY 141 N 0.99 -0.01 0.00 0.00 0.00 -1.26 -2.32 105.19 102.59 1srd n GLY 141 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1srd n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1srd n GLY 142 N 0.20 1.23 3.53 -0.02 0.00 -1.26 -4.43 105.19 104.45 1srd n GLY 142 Ca 0.02 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1srd n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srd s ARG 143 N 0.00 3.70 0.15 1.61 0.52 -1.26 0.20 118.95 123.86 1srd s ARG 143 Ca 0.00 -1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 53.58 1srd s ARG 143 Cb 0.00 -5.28 -0.02 0.00 0.52 0.00 0.00 34.95 30.17 1srd s ARG 143 CO 0.00 -2.10 1.52 -0.07 0.02 0.00 0.00 175.30 174.67 1srd h LEU 144 N 12.05 0.97 -7.00 2.53 3.38 -1.71 -3.46 115.31 122.07 1srd h LEU 144 Ca 0.25 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1srd h LEU 144 Cb 0.98 -0.27 -0.17 0.00 0.09 0.00 0.00 40.66 41.28 1srd h LEU 144 CO 1.36 1.17 0.27 0.00 0.09 0.00 0.00 178.44 181.33 1srd s ALA 145 N -4.61 -1.75 0.18 1.53 0.00 -1.22 -3.86 121.76 112.03 1srd s ALA 145 Ca -0.12 1.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 1srd s ALA 145 Cb 0.11 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1srd s ALA 145 CO 0.86 -0.49 0.88 0.00 0.00 0.00 0.00 175.76 177.01 1srd s GLY 147 N -2.91 -0.35 0.03 0.00 0.00 -0.89 -1.88 107.32 101.32 1srd s GLY 147 Ca 0.11 1.58 -0.30 0.00 0.00 0.00 0.00 44.72 46.11 1srd s GLY 147 CO 0.03 0.70 1.21 0.14 0.00 0.00 0.00 173.10 175.18 1srd s VAL 148 N -2.04 4.06 -0.36 1.40 1.01 -1.26 -1.99 120.40 121.22 1srd s VAL 148 Ca 0.02 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.18 1srd s VAL 148 Cb -0.01 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1srd s VAL 148 CO -0.03 0.08 1.83 -0.69 0.00 0.00 0.00 175.10 176.29 1srd s VAL 149 N 1.40 3.44 0.25 2.92 1.01 -0.56 -4.42 120.40 124.43 1srd s VAL 149 Ca 0.58 0.43 0.12 0.00 0.00 0.00 0.00 61.98 63.12 1srd s VAL 149 Cb -0.29 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1srd s VAL 149 CO 0.27 -0.44 -0.21 -0.83 0.00 0.00 0.00 175.10 173.89 1srd s GLY 150 N 6.47 1.82 0.53 4.51 0.00 0.25 -2.26 107.32 118.62 1srd s GLY 150 Ca 0.80 -1.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 1srd s GLY 150 CO 0.32 -1.85 1.16 1.08 0.00 0.00 0.00 173.10 173.82 1srd s LEU 151 N -3.18 3.82 0.05 0.66 1.43 -1.26 -1.48 118.68 118.71 1srd s LEU 151 Ca 0.26 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1srd s LEU 151 Cb -0.06 -4.47 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 1srd s LEU 151 CO 0.13 -1.20 -0.05 0.28 0.23 0.00 0.00 176.35 175.74 1srd s THR 152 N -1.66 0.39 -0.32 5.49 -1.32 -1.21 -4.78 115.64 112.24 1srd s THR 152 Ca 0.71 -1.37 -0.37 0.00 -1.21 0.00 0.00 61.69 59.44 1srd s THR 152 Cb -0.27 -0.94 -0.13 0.00 -1.51 0.00 0.00 72.50 69.65 1srd s THR 152 CO 0.31 -0.65 2.02 -2.65 -2.21 0.00 0.00 174.62 171.44 1srd n PRO 153 N 0.89 1.12 0.00 7.08 -0.02 -1.26 -4.49 135.00 138.32 1srd n PRO 153 Ca -0.19 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1srd n PRO 153 Cb 0.57 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1srd n PRO 153 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76