#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 1.53 -0.06 0.00 -1.32 -1.26 -1.61 115.64 112.91 1srd s THR 2 Ca 0.00 -1.70 -0.05 0.00 -1.21 0.00 0.00 61.69 58.73 1srd s THR 2 Cb 0.00 -1.58 0.02 0.00 -1.51 0.00 0.00 72.50 69.43 1srd s THR 2 CO 0.00 -0.30 0.16 -0.75 -2.21 0.00 0.00 174.62 171.52 1srd s LYS 3 N -2.46 0.17 0.19 7.08 2.47 -0.28 -5.01 119.74 121.89 1srd s LYS 3 Ca 0.09 0.24 0.07 0.00 -1.56 0.00 0.00 55.97 54.82 1srd s LYS 3 Cb -0.07 0.06 -0.04 0.00 -1.46 0.00 0.00 37.83 36.31 1srd s LYS 3 CO 0.04 -0.04 -0.15 0.15 0.16 0.00 0.00 175.35 175.52 1srd s LYS 4 N 0.23 1.26 0.23 4.03 1.02 -1.26 -1.16 119.74 124.09 1srd s LYS 4 Ca -0.01 -1.52 -0.04 0.00 0.02 0.00 0.00 55.97 54.43 1srd s LYS 4 Cb -0.02 -1.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.18 1srd s LYS 4 CO -0.01 0.19 0.25 0.00 -0.92 0.00 0.00 175.35 174.86 1srd s ALA 5 N -2.79 0.84 -0.04 5.17 0.00 -0.18 -2.93 121.76 121.84 1srd s ALA 5 Ca 0.20 -1.51 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 1srd s ALA 5 Cb -0.02 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.43 1srd s ALA 5 CO 0.06 -0.67 0.27 0.54 0.00 0.00 0.00 175.76 175.96 1srd s VAL 6 N -4.01 0.05 -0.21 0.00 0.11 0.04 -1.73 120.40 114.64 1srd s VAL 6 Ca 0.34 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1srd s VAL 6 Cb 0.04 -0.53 0.06 0.00 -1.53 0.00 0.00 36.38 34.43 1srd s VAL 6 CO 0.13 -0.22 -0.02 0.00 -3.33 0.00 0.00 175.10 171.66 1srd s ALA 7 N -0.94 1.58 -0.49 1.54 0.00 0.16 -2.28 121.76 121.32 1srd s ALA 7 Ca -0.10 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 1srd s ALA 7 Cb -0.05 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.82 1srd s ALA 7 CO 0.03 -1.13 0.62 0.08 0.00 0.00 0.00 175.76 175.36 1srd s VAL 8 N 1.58 4.88 0.20 0.00 1.01 -1.26 -1.41 120.40 125.41 1srd s VAL 8 Ca -0.03 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 1srd s VAL 8 Cb -0.18 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 1srd s VAL 8 CO -0.07 -0.74 0.82 -0.76 0.00 0.00 0.00 175.10 174.35 1srd s LEU 9 N 2.64 4.55 -0.05 3.92 2.01 -0.65 -4.41 118.68 126.68 1srd s LEU 9 Ca 0.16 1.70 -0.12 0.00 0.01 0.00 0.00 54.13 55.88 1srd s LEU 9 Cb -0.18 -3.47 0.02 0.00 0.01 0.00 0.00 46.19 42.57 1srd s LEU 9 CO 0.13 0.15 0.28 -0.54 1.01 0.00 0.00 176.35 177.39 1srd s LYS 10 N -1.35 0.51 0.00 1.70 1.02 -1.16 -3.64 119.74 116.82 1srd s LYS 10 Ca 0.39 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1srd s LYS 10 Cb -0.22 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1srd s LYS 10 CO 0.27 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 1srd n GLY 11 N 2.00 5.88 2.22 -3.33 0.00 -1.20 -2.65 105.19 108.10 1srd n GLY 11 Ca -0.18 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 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 0.00 2.92 -3.36 2.61 5.66 -1.26 -4.90 114.28 115.96 1srd n THR 12 Ca 0.00 -3.89 0.00 0.00 -3.05 0.00 0.00 64.05 57.11 1srd n THR 12 Cb 0.00 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 1srd n THR 12 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1srd n SER 13 N -0.74 0.00 -1.33 1.09 2.88 -1.26 -5.06 113.62 109.20 1srd n SER 13 Ca 0.50 -0.62 0.09 0.00 -1.33 0.00 0.00 58.87 57.51 1srd n SER 13 Cb 0.80 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.57 1srd n SER 13 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1srd n ASN 14 N -1.53 4.25 -4.61 -3.46 3.02 -1.26 -4.90 115.26 106.77 1srd n ASN 14 Ca 0.00 -2.34 -0.41 0.00 -0.03 0.00 0.00 54.58 51.80 1srd n ASN 14 Cb 0.00 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 1srd n ASN 14 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1srd s VAL 15 N -1.64 4.95 0.00 2.41 1.01 -1.26 -4.14 120.40 121.73 1srd s VAL 15 Ca 0.46 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1srd s VAL 15 Cb 0.28 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1srd s VAL 15 CO 0.23 -0.09 0.00 1.21 0.00 0.00 0.00 175.10 176.45 1srd n GLU 16 N 5.84 0.00 0.00 2.72 2.13 -1.04 -3.22 120.64 127.07 1srd n GLU 16 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1srd n GLU 16 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 1srd n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1srd n GLY 17 N 5.00 0.47 3.64 8.31 0.00 -1.24 -3.69 105.19 117.68 1srd n GLY 17 Ca 0.00 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.84 0.00 0.01 1.61 0.11 -0.18 -1.64 120.40 117.47 1srd s VAL 18 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1srd s VAL 18 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1srd s VAL 18 CO 0.00 0.00 -0.10 0.54 -3.33 0.00 0.00 175.10 172.21 1srd s VAL 19 N 1.37 0.81 0.14 2.04 0.11 -0.50 -2.50 120.40 121.88 1srd s VAL 19 Ca -0.08 -0.67 0.09 0.00 -2.93 0.00 0.00 61.98 58.39 1srd s VAL 19 Cb -0.05 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1srd s VAL 19 CO -0.16 0.06 -0.20 0.42 -3.33 0.00 0.00 175.10 171.89 1srd s THR 20 N -0.57 1.84 -0.06 5.04 -4.23 -0.65 0.35 115.64 117.36 1srd s THR 20 Ca 0.01 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1srd s THR 20 Cb -0.06 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 72.03 1srd s THR 20 CO 0.00 -0.20 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.08 1srd s LEU 21 N -2.38 1.16 0.08 4.79 1.02 -0.70 -1.38 118.68 121.26 1srd s LEU 21 Ca 0.13 -0.16 0.10 0.00 0.02 0.00 0.00 54.13 54.21 1srd s LEU 21 Cb -0.08 -0.55 -0.03 0.00 0.02 0.00 0.00 46.19 45.55 1srd s LEU 21 CO 0.06 -0.09 -0.25 -0.89 0.02 0.00 0.00 176.35 175.20 1srd s THR 22 N 1.27 2.09 -0.18 5.49 2.01 -0.39 -1.01 115.64 124.92 1srd s THR 22 Ca -0.05 -1.51 -0.12 0.00 0.31 0.00 0.00 61.69 60.32 1srd s THR 22 Cb -0.14 -1.82 0.06 0.00 0.01 0.00 0.00 72.50 70.61 1srd s THR 22 CO -0.02 0.21 0.45 -1.58 -0.69 0.00 0.00 174.62 172.99 1srd s GLN 23 N -1.58 0.47 0.09 4.92 0.74 -0.31 -1.72 119.66 122.27 1srd s GLN 23 Ca 0.12 0.78 0.07 0.00 0.05 0.00 0.00 55.36 56.38 1srd s GLN 23 Cb -0.10 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.06 1srd s GLN 23 CO 0.04 -0.13 -0.14 -1.21 -0.55 0.00 0.00 175.29 173.30 1srd s GLU 24 N 1.05 2.05 2.22 1.67 2.02 -1.26 -1.13 118.70 125.32 1srd s GLU 24 Ca -0.07 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.89 1srd s GLU 24 Cb -0.06 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.92 1srd s GLU 24 CO -0.09 0.51 0.00 -0.25 0.02 0.00 0.00 175.26 175.45 1srd n ASP 25 N 0.98 0.00 -2.45 -0.19 8.00 -0.63 -1.97 116.55 120.28 1srd n ASP 25 Ca -0.15 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 1srd n ASP 25 Cb 0.52 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.72 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 5.08 -1.25 0.00 -2.24 5.75 -1.26 -5.01 116.55 117.63 1srd n ASP 26 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1srd n ASP 26 Cb 0.00 0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 -1.01 2.23 3.74 6.12 0.00 -0.83 -5.13 105.19 110.30 1srd n GLY 27 Ca -0.13 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 1srd n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1srd s PRO 28 N 3.48 0.96 -0.10 1.61 0.04 -1.26 -4.83 135.00 134.90 1srd s PRO 28 Ca 0.00 0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.54 1srd s PRO 28 Cb 0.00 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1srd s PRO 28 CO 0.00 -2.36 -0.19 0.95 0.04 0.00 0.00 177.00 175.44 1srd s THR 29 N -3.10 1.73 -0.13 1.26 -4.23 0.18 -4.41 115.64 106.93 1srd s THR 29 Ca 0.64 -0.80 -0.18 0.00 -1.18 0.00 0.00 61.69 60.17 1srd s THR 29 Cb -0.17 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 1srd s THR 29 CO 0.56 0.49 0.46 -0.89 -0.54 0.00 0.00 174.62 174.69 1srd s THR 30 N 0.66 5.20 -0.17 3.99 2.01 -0.70 -1.10 115.64 125.53 1srd s THR 30 Ca -0.13 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.78 1srd s THR 30 Cb -0.16 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.58 1srd s THR 30 CO 0.03 0.32 -0.16 0.68 -0.69 0.00 0.00 174.62 174.81 1srd s VAL 31 N 0.70 1.78 -0.27 3.82 -7.23 0.27 -1.27 120.40 118.20 1srd s VAL 31 Ca 0.24 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.52 1srd s VAL 31 Cb -0.15 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.11 1srd s VAL 31 CO 0.09 0.43 0.06 0.20 -0.31 0.00 0.00 175.10 175.57 1srd s ASN 32 N 1.39 5.00 -0.04 4.85 -0.87 -0.48 -0.96 114.94 123.83 1srd s ASN 32 Ca 0.04 -0.52 0.02 0.00 -1.57 0.00 0.00 52.86 50.83 1srd s ASN 32 Cb -0.14 -1.87 -0.03 0.00 -0.02 0.00 0.00 41.25 39.19 1srd s ASN 32 CO -0.11 -0.12 -0.09 0.68 -2.57 0.00 0.00 177.10 174.89 1srd s VAL 33 N 1.53 3.54 -0.24 1.60 -7.23 -1.09 -1.63 120.40 116.88 1srd s VAL 33 Ca 0.04 -0.64 -0.06 0.00 -1.81 0.00 0.00 61.98 59.51 1srd s VAL 33 Cb -0.16 -2.47 0.12 0.00 0.56 0.00 0.00 36.38 34.43 1srd s VAL 33 CO 0.02 0.52 0.48 -0.60 -0.31 0.00 0.00 175.10 175.21 1srd s ARG 34 N -1.01 0.41 0.19 4.82 3.52 -1.04 -1.56 118.95 124.28 1srd s ARG 34 Ca 0.14 1.00 0.08 0.00 -0.13 0.00 0.00 55.73 56.82 1srd s ARG 34 Cb -0.11 0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 33.52 1srd s ARG 34 CO 0.03 -0.38 -0.16 0.42 -0.81 0.00 0.00 175.30 174.41 1srd s ILE 35 N 2.68 1.76 0.14 4.11 1.09 -0.57 -1.01 121.20 129.40 1srd s ILE 35 Ca 0.04 -2.09 -0.12 0.00 -1.10 0.00 0.00 60.65 57.37 1srd s ILE 35 Cb -0.13 -1.95 0.01 0.00 -1.06 0.00 0.00 42.46 39.33 1srd s ILE 35 CO -0.16 -0.49 0.34 -0.94 -0.10 0.00 0.00 174.94 173.59 1srd s SER 36 N -3.06 -0.07 0.00 3.58 1.04 -1.26 -0.91 113.70 113.01 1srd s SER 36 Ca 0.20 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1srd s SER 36 Cb -0.03 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1srd s SER 36 CO 0.07 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1srd n GLY 37 N -0.20 1.22 3.90 7.32 0.00 -0.96 -2.49 105.19 113.97 1srd n GLY 37 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 2.71 -0.21 0.99 2.96 -1.26 -4.41 118.68 119.46 1srd s LEU 38 Ca 0.00 0.90 -0.10 0.00 -0.22 0.00 0.00 54.13 54.71 1srd s LEU 38 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1srd s LEU 38 CO 0.00 -1.62 0.14 0.00 -1.32 0.00 0.00 176.35 173.55 1srd s ALA 39 N -3.45 3.65 0.12 5.97 0.00 -1.26 -4.13 121.76 122.66 1srd s ALA 39 Ca 0.60 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 51.52 1srd s ALA 39 Cb -0.11 -2.22 -0.15 0.00 0.00 0.00 0.00 23.12 20.64 1srd s ALA 39 CO 0.50 0.02 0.59 -0.35 0.00 0.00 0.00 175.76 176.52 1srd n PRO 40 N 3.82 0.00 0.00 0.00 -0.04 -1.26 -4.70 135.00 132.81 1srd n PRO 40 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1srd n PRO 40 Cb 0.52 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 1.60 0.07 3.87 0.55 0.00 -0.74 -4.92 105.19 105.63 1srd n GLY 41 Ca 0.16 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 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 3.80 0.00 1.61 1.02 -1.26 0.65 119.74 125.56 1srd s LYS 42 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.22 1srd s LYS 42 Cb 0.00 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 1srd s LYS 42 CO 0.00 0.44 0.00 0.72 -0.92 0.00 0.00 175.35 175.59 1srd n HIS 43 N 0.37 0.00 -3.68 3.18 8.25 -1.05 -3.71 115.22 118.59 1srd n HIS 43 Ca -0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.28 1srd n HIS 43 Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.35 -0.22 -1.41 0.00 -1.20 -1.51 107.32 102.63 1srd s GLY 44 Ca 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 44.72 45.69 1srd s GLY 44 CO 0.00 0.76 0.17 -0.12 0.00 0.00 0.00 173.10 173.91 1srd s PHE 45 N -0.68 -0.02 0.08 1.90 5.36 -1.01 -2.18 117.98 121.43 1srd s PHE 45 Ca -0.08 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 1srd s PHE 45 Cb -0.03 -0.59 -0.04 0.00 -0.34 0.00 0.00 43.02 42.02 1srd s PHE 45 CO 0.04 -0.65 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.08 1srd s HIS 46 N 2.22 0.80 -0.72 10.12 3.76 -0.13 -1.28 115.29 130.07 1srd s HIS 46 Ca 0.06 -0.77 -0.18 0.00 -0.15 0.00 0.00 55.06 54.02 1srd s HIS 46 Cb -0.16 -0.47 0.13 0.00 1.11 0.00 0.00 32.58 33.20 1srd s HIS 46 CO -0.18 -0.13 0.81 -1.17 -0.85 0.00 0.00 174.74 173.22 1srd s LEU 47 N -2.52 5.61 0.46 0.89 1.98 -0.24 -0.71 118.68 124.15 1srd s LEU 47 Ca 0.04 -1.84 -0.20 0.00 -2.89 0.00 0.00 54.13 49.24 1srd s LEU 47 Cb -0.00 -2.30 -0.10 0.00 0.66 0.00 0.00 46.19 44.45 1srd s LEU 47 CO -0.03 -0.99 0.97 -1.00 -1.89 0.00 0.00 176.35 173.41 1srd s HIS 48 N 2.15 3.28 0.13 5.38 3.76 0.15 -0.36 115.29 129.78 1srd s HIS 48 Ca 0.18 1.58 -0.24 0.00 -0.15 0.00 0.00 55.06 56.42 1srd s HIS 48 Cb -0.17 -2.88 -0.02 0.00 1.11 0.00 0.00 32.58 30.62 1srd s HIS 48 CO -0.01 -0.30 1.64 1.49 -0.85 0.00 0.00 174.74 176.72 1srd h GLU 49 N 1.63 -0.31 -6.41 1.40 4.81 -0.95 -2.81 114.58 111.95 1srd h GLU 49 Ca -0.49 0.02 -0.44 0.00 -0.13 0.00 0.00 59.36 58.32 1srd h GLU 49 Cb 1.19 0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.65 1srd h GLU 49 CO 0.61 -0.20 -0.29 -0.06 -0.73 0.00 0.00 179.01 178.34 1srd s PHE 50 N -6.08 3.12 -0.13 0.92 0.08 -0.66 -4.55 117.98 110.68 1srd s PHE 50 Ca -0.15 -0.14 0.19 0.00 0.12 0.00 0.00 56.93 56.96 1srd s PHE 50 Cb 0.10 -2.08 -0.28 0.00 -0.57 0.00 0.00 43.02 40.19 1srd s PHE 50 CO 0.67 -0.11 0.28 0.41 -0.10 0.00 0.00 175.22 176.37 1srd n GLY 51 N -1.74 -1.01 0.00 4.36 0.00 -1.24 -2.43 105.19 103.12 1srd n GLY 51 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.57 0.00 0.00 1.61 8.00 -1.26 -4.68 116.55 117.65 1srd n ASP 52 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1srd n ASP 52 Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 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 -0.23 -3.53 -1.04 -1.25 -4.96 114.28 103.27 1srd n THR 53 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1srd n THR 53 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 1.25 -2.42 12.58 1.35 -1.94 -2.85 112.91 120.89 1srd h THR 54 Ca 0.00 -0.90 -0.67 0.00 -0.55 0.00 0.00 66.41 64.29 1srd h THR 54 Cb 0.00 0.51 -0.38 0.00 -1.73 0.00 0.00 68.15 66.56 1srd h THR 54 CO 0.00 0.35 -0.15 -3.20 -0.25 0.00 0.00 175.52 172.27 1srd n ASN 55 N -4.25 4.65 0.00 5.36 2.85 -1.26 -5.04 115.26 117.57 1srd n ASN 55 Ca 0.05 -3.45 0.00 0.00 -0.11 0.00 0.00 54.58 51.08 1srd n ASN 55 Cb 0.23 -0.86 0.00 0.00 1.24 0.00 0.00 39.78 40.40 1srd n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1srd n GLY 56 N 0.95 2.60 0.09 8.20 0.00 -1.08 -2.26 105.19 113.69 1srd n GLY 56 Ca 0.29 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.26 0.12 -0.08 0.00 2.00 -0.96 -3.29 117.12 112.64 1srd n MET 58 Ca 0.04 0.13 0.11 0.00 0.00 0.00 0.00 57.70 57.99 1srd n MET 58 Cb 0.45 -1.50 0.35 0.00 0.00 0.00 0.00 33.22 32.52 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 -1.41 2.09 0.00 7.83 3.41 -1.13 -4.22 113.62 120.18 1srd n SER 59 Ca 0.07 -1.75 0.09 0.00 -0.26 0.00 0.00 58.87 57.01 1srd n SER 59 Cb 0.20 -0.10 0.52 0.00 -0.26 0.00 0.00 64.21 64.57 1srd n SER 59 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1srd n THR 60 N 0.60 0.00 -4.34 6.66 -2.24 -1.21 -4.61 114.28 109.16 1srd n THR 60 Ca 0.17 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.97 1srd n THR 60 Cb 0.41 -0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1srd n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1srd n GLY 61 N 0.43 -1.27 0.00 3.38 0.00 -1.26 -1.65 105.19 104.82 1srd n GLY 61 Ca 0.13 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.84 1.35 -2.69 1.61 -0.04 -1.26 -4.62 135.00 127.51 1srd n PRO 62 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1srd n PRO 62 Cb 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.47 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 0.00 3.74 0.16 0.54 3.76 -1.26 -1.04 115.29 121.19 1srd s HIS 63 Ca 0.00 1.81 -0.31 0.00 -0.15 0.00 0.00 55.06 56.40 1srd s HIS 63 Cb 0.00 -3.03 -0.11 0.00 1.11 0.00 0.00 32.58 30.55 1srd s HIS 63 CO 0.00 0.08 1.80 0.12 -0.85 0.00 0.00 174.74 175.89 1srd s PHE 64 N -1.38 2.43 -0.44 1.40 5.36 0.51 -4.51 117.98 121.35 1srd s PHE 64 Ca 0.47 0.10 0.06 0.00 -0.96 0.00 0.00 56.93 56.60 1srd s PHE 64 Cb -0.24 -4.18 0.22 0.00 -0.34 0.00 0.00 43.02 38.48 1srd s PHE 64 CO 0.30 -4.71 0.59 -1.71 -1.46 0.00 0.00 175.22 168.23 1srd n ASN 65 N 5.02 -1.37 0.04 6.13 5.15 -1.26 -1.40 115.26 127.57 1srd n ASN 65 Ca 0.17 -2.78 -0.11 0.00 -0.60 0.00 0.00 54.58 51.26 1srd n ASN 65 Cb 0.37 0.38 0.02 0.00 -0.53 0.00 0.00 39.78 40.02 1srd n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1srd h PRO 66 N 4.62 0.45 -0.10 1.20 0.13 -1.91 -3.11 132.00 133.29 1srd h PRO 66 Ca 0.07 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1srd h PRO 66 Cb 0.96 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1srd h PRO 66 CO 0.32 1.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.84 1srd n ASP 67 N -3.85 0.96 -3.00 1.44 9.92 -1.26 -4.97 116.55 115.79 1srd n ASP 67 Ca -0.05 -1.59 -0.00 0.00 -0.53 0.00 0.00 54.79 52.62 1srd n ASP 67 Cb 0.71 -0.06 -0.00 0.00 -0.64 0.00 0.00 41.12 41.13 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 -0.14 -1.63 -3.99 -1.24 5.02 -1.18 -5.04 118.16 109.96 1srd n LYS 68 Ca 0.15 1.61 -0.18 0.00 -2.02 0.00 0.00 58.31 57.87 1srd n LYS 68 Cb 0.22 -2.65 -0.07 0.00 -0.02 0.00 0.00 35.03 32.51 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 1.20 0.40 -2.65 1.97 4.76 -1.26 -5.09 118.16 117.49 1srd n LYS 69 Ca -0.02 -2.95 -0.21 0.00 -2.87 0.00 0.00 58.31 52.26 1srd n LYS 69 Cb 0.30 2.30 0.04 0.00 -1.84 0.00 0.00 35.03 35.83 1srd n LYS 69 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1srd s THR 70 N -3.15 2.66 0.30 -0.18 -4.23 -1.06 -4.75 115.64 105.22 1srd s THR 70 Ca 0.33 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 59.88 1srd s THR 70 Cb 0.02 -2.99 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 1srd s THR 70 CO 0.23 0.00 1.08 -2.28 -0.54 0.00 0.00 174.62 173.11 1srd s HIS 71 N -2.76 3.56 0.00 3.99 2.46 -0.66 -0.62 115.29 121.26 1srd s HIS 71 Ca 0.57 1.71 0.00 0.00 0.47 0.00 0.00 55.06 57.81 1srd s HIS 71 Cb -0.10 -3.24 0.00 0.00 -0.13 0.00 0.00 32.58 29.11 1srd s HIS 71 CO 0.38 -0.49 0.00 0.41 -2.47 0.00 0.00 174.74 172.57 1srd n GLY 72 N 1.08 3.46 3.78 1.59 0.00 -1.26 -4.50 105.19 109.34 1srd n GLY 72 Ca -0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.10 3.53 0.43 4.61 0.00 -1.25 -4.70 121.76 123.28 1srd s ALA 73 Ca 0.00 -1.57 0.17 0.00 0.00 0.00 0.00 51.96 50.56 1srd s ALA 73 Cb 0.00 -1.08 1.09 0.00 0.00 0.00 0.00 23.12 23.13 1srd s ALA 73 CO 0.00 0.18 1.90 -1.00 0.00 0.00 0.00 175.76 176.84 1srd h PRO 74 N 1.54 0.37 -2.57 0.00 0.13 -1.91 -1.55 132.00 128.00 1srd h PRO 74 Ca -0.46 -0.02 -0.80 0.00 -0.87 0.00 0.00 66.00 63.85 1srd h PRO 74 Cb 1.25 -0.08 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 1srd h PRO 74 CO 0.60 0.24 1.16 -0.85 -0.23 0.00 0.00 178.00 178.93 1srd n GLU 75 N -4.48 4.96 -3.72 0.86 -0.00 -1.26 -4.89 120.64 112.12 1srd n GLU 75 Ca 0.16 -4.45 -0.12 0.00 -0.00 0.00 0.00 57.16 52.75 1srd n GLU 75 Cb 0.61 -2.53 -0.10 0.00 -0.00 0.00 0.00 31.44 29.42 1srd n GLU 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1srd s ASP 76 N -1.20 -0.46 0.04 -1.84 1.01 -0.59 -5.03 116.67 108.60 1srd s ASP 76 Ca 0.38 0.86 -0.17 0.00 0.71 0.00 0.00 52.55 54.32 1srd s ASP 76 Cb 0.14 0.83 -0.23 0.00 1.01 0.00 0.00 42.92 44.66 1srd s ASP 76 CO -0.04 -0.16 1.14 -0.08 0.21 0.00 0.00 175.17 176.24 1srd h GLU 77 N 5.97 0.55 0.00 8.23 4.22 -1.90 -3.32 114.58 128.33 1srd h GLU 77 Ca -0.30 -0.59 0.00 0.00 0.08 0.00 0.00 59.36 58.56 1srd h GLU 77 Cb 1.18 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1srd h GLU 77 CO 0.26 1.21 0.00 0.28 -2.18 0.00 0.00 179.01 178.58 1srd h VAL 78 N 0.13 0.00 -2.09 0.32 2.07 -1.92 -3.47 116.25 111.28 1srd h VAL 78 Ca -0.10 -0.32 -0.59 0.00 0.82 0.00 0.00 66.70 66.52 1srd h VAL 78 Cb 1.48 1.13 0.19 0.00 -1.52 0.00 0.00 31.29 32.57 1srd h VAL 78 CO 0.16 0.00 -1.23 -1.14 0.02 0.00 0.00 177.57 175.38 1srd n ARG 79 N -2.37 0.03 0.00 1.57 0.63 -1.24 -2.57 116.66 112.72 1srd n ARG 79 Ca 0.02 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1srd n ARG 79 Cb 0.27 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.12 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 -1.75 0.00 0.00 -0.14 8.25 0.21 -4.61 115.22 117.18 1srd n HIS 80 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1srd n HIS 80 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 -3.00 0.00 1.61 -1.41 0.00 -1.20 -4.52 120.51 111.99 1srd n ALA 81 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1srd n ALA 81 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 1srd n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1srd n GLY 82 N 0.00 -0.37 3.71 0.00 0.00 -0.49 -4.66 105.19 103.38 1srd n GLY 82 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1srd n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1srd s ASP 83 N -1.47 7.06 -0.10 1.61 1.01 -1.26 -1.08 116.67 122.44 1srd s ASP 83 Ca 0.26 2.00 0.14 0.00 0.71 0.00 0.00 52.55 55.67 1srd s ASP 83 Cb 0.13 -2.58 0.31 0.00 1.01 0.00 0.00 42.92 41.79 1srd s ASP 83 CO 0.21 -0.49 1.15 0.18 0.21 0.00 0.00 175.17 176.42 1srd n LEU 84 N 4.11 1.75 0.00 1.23 4.32 -0.40 -4.43 117.00 123.57 1srd n LEU 84 Ca 0.09 -2.74 0.00 0.00 -0.02 0.00 0.00 56.01 53.35 1srd n LEU 84 Cb 0.46 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1srd n LEU 84 CO 0.56 0.80 0.00 0.61 -1.22 0.00 0.00 177.39 178.14 1srd n GLY 85 N -0.67 3.13 3.13 -0.72 0.00 -1.25 -4.76 105.19 104.05 1srd n GLY 85 Ca 0.12 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 1.70 -0.05 1.61 0.02 -1.26 -2.41 114.94 110.55 1srd s ASN 86 Ca 0.00 -0.34 -0.03 0.00 -1.02 0.00 0.00 52.86 51.47 1srd s ASN 86 Cb 0.00 -0.16 -0.04 0.00 0.02 0.00 0.00 41.25 41.08 1srd s ASN 86 CO 0.00 0.12 0.10 0.27 0.02 0.00 0.00 177.10 177.61 1srd s ILE 87 N -0.55 5.01 -0.19 0.60 -4.36 -1.26 -4.93 121.20 115.52 1srd s ILE 87 Ca 0.04 -0.16 -0.12 0.00 -0.26 0.00 0.00 60.65 60.15 1srd s ILE 87 Cb -0.06 -3.24 -0.05 0.00 1.25 0.00 0.00 42.46 40.36 1srd s ILE 87 CO 0.00 0.46 0.24 -0.69 0.24 0.00 0.00 174.94 175.20 1srd s VAL 88 N -1.12 5.33 -0.19 8.37 1.01 -1.26 -2.53 120.40 130.00 1srd s VAL 88 Ca 0.20 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 1srd s VAL 88 Cb -0.12 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1srd s VAL 88 CO 0.10 0.37 0.22 0.00 0.00 0.00 0.00 175.10 175.79 1srd s ALA 89 N 0.70 3.63 1.22 5.51 0.00 0.21 -4.27 121.76 128.75 1srd s ALA 89 Ca 0.13 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 1srd s ALA 89 Cb -0.13 -2.31 0.30 0.00 0.00 0.00 0.00 23.12 20.98 1srd s ALA 89 CO 0.03 0.04 1.13 -0.80 0.00 0.00 0.00 175.76 176.16 1srd s ASN 90 N 0.56 0.80 0.57 0.00 0.02 -0.24 -1.79 114.94 114.87 1srd s ASN 90 Ca 0.12 0.52 0.38 0.00 -1.02 0.00 0.00 52.86 52.86 1srd s ASN 90 Cb -0.12 -0.69 2.06 0.00 0.02 0.00 0.00 41.25 42.52 1srd s ASN 90 CO 0.02 -4.18 2.16 0.00 0.02 0.00 0.00 177.10 175.11 1srd h THR 91 N -2.63 0.00 -0.42 1.60 1.03 -1.98 0.39 112.91 110.91 1srd h THR 91 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 1srd h THR 91 Cb 1.28 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 69.20 1srd h THR 91 CO 0.31 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.29 1srd n ASP 92 N -2.84 3.52 -3.41 0.00 8.00 -1.26 -4.94 116.55 115.61 1srd n ASP 92 Ca -0.03 -2.27 -0.18 0.00 0.71 0.00 0.00 54.79 53.03 1srd n ASP 92 Cb 0.07 -0.37 0.03 0.00 -0.02 0.00 0.00 41.12 40.83 1srd n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1srd n GLY 93 N 0.53 -1.14 2.94 0.44 0.00 0.13 -4.72 105.19 103.37 1srd n GLY 93 Ca 0.17 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.27 -0.04 -0.05 1.61 -7.23 -1.24 -2.28 120.40 107.91 1srd s VAL 94 Ca 0.29 0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.68 1srd s VAL 94 Cb -0.08 -0.24 -0.01 0.00 0.56 0.00 0.00 36.38 36.61 1srd s VAL 94 CO 0.80 0.06 -0.25 0.00 -0.31 0.00 0.00 175.10 175.40 1srd s ALA 95 N 0.99 2.14 -0.02 1.32 0.00 -0.09 -1.08 121.76 125.02 1srd s ALA 95 Ca -0.08 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1srd s ALA 95 Cb -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1srd s ALA 95 CO -0.05 0.45 -0.06 -1.21 0.00 0.00 0.00 175.76 174.89 1srd s GLU 96 N -0.29 0.58 0.32 0.00 2.02 -1.26 -1.50 118.70 118.56 1srd s GLU 96 Ca 0.01 -0.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 1srd s GLU 96 Cb -0.13 -0.58 0.01 0.00 0.10 0.00 0.00 34.13 33.54 1srd s GLU 96 CO 0.02 0.07 0.45 0.00 0.02 0.00 0.00 175.26 175.83 1srd n ALA 97 N 3.26 -0.35 -3.36 5.21 0.00 -0.60 -4.86 120.51 119.81 1srd n ALA 97 Ca -0.17 -1.47 -0.15 0.00 0.00 0.00 0.00 53.44 51.66 1srd n ALA 97 Cb 0.56 1.18 -0.08 0.00 0.00 0.00 0.00 19.45 21.11 1srd n ALA 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1srd s THR 98 N -2.76 -0.46 -0.07 0.00 2.01 -1.26 -2.67 115.64 110.43 1srd s THR 98 Ca 0.26 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 1srd s THR 98 Cb -0.01 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1srd s THR 98 CO 0.19 -0.44 0.38 -0.63 -0.69 0.00 0.00 174.62 173.43 1srd s ILE 99 N 2.17 5.16 -0.39 1.82 -1.09 -0.13 -4.93 121.20 123.80 1srd s ILE 99 Ca 0.11 0.76 0.04 0.00 -2.23 0.00 0.00 60.65 59.34 1srd s ILE 99 Cb -0.14 -3.70 0.11 0.00 -1.58 0.00 0.00 42.46 37.15 1srd s ILE 99 CO -0.24 0.48 0.12 -0.69 -1.23 0.00 0.00 174.94 173.37 1srd s VAL 100 N -0.31 2.33 0.25 2.92 1.01 -1.26 -0.57 120.40 124.77 1srd s VAL 100 Ca 0.22 -2.62 0.08 0.00 0.00 0.00 0.00 61.98 59.66 1srd s VAL 100 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1srd s VAL 100 CO 0.10 -0.66 0.13 -0.62 0.00 0.00 0.00 175.10 174.05 1srd s ASP 101 N 0.56 5.23 -0.02 3.32 2.15 -0.26 -4.92 116.67 122.73 1srd s ASP 101 Ca 0.13 -0.36 0.04 0.00 0.43 0.00 0.00 52.55 52.78 1srd s ASP 101 Cb -0.21 -1.24 0.05 0.00 -0.30 0.00 0.00 42.92 41.22 1srd s ASP 101 CO -0.06 -0.02 0.98 -3.20 -0.17 0.00 0.00 175.17 172.70 1srd n ASN 102 N -1.06 1.83 -0.33 -0.34 2.85 -1.26 0.50 115.26 117.46 1srd n ASN 102 Ca -0.07 -2.11 0.05 0.00 -0.11 0.00 0.00 54.58 52.34 1srd n ASN 102 Cb 0.58 -0.09 0.02 0.00 1.24 0.00 0.00 39.78 41.53 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 -0.62 1.41 -3.17 1.20 6.02 -1.26 -4.78 117.38 116.18 1srd n GLN 103 Ca 0.03 -0.86 -0.27 0.00 -0.01 0.00 0.00 57.00 55.90 1srd n GLN 103 Cb 0.36 -1.15 -0.06 0.00 1.02 0.00 0.00 30.24 30.41 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 0.13 2.69 -0.73 5.09 -5.35 -1.26 -4.89 119.36 115.04 1srd n ILE 104 Ca 0.05 -5.40 -0.28 0.00 -0.27 0.00 0.00 62.75 56.85 1srd n ILE 104 Cb 0.25 -1.72 0.24 0.00 -1.74 0.00 0.00 39.64 36.66 1srd n ILE 104 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1srd s PRO 105 N -2.99 -0.69 0.00 6.28 0.04 -1.26 -4.75 135.00 131.64 1srd s PRO 105 Ca 0.45 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1srd s PRO 105 Cb 0.22 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 33.17 1srd s PRO 105 CO -0.08 -3.53 0.92 1.28 0.04 0.00 0.00 177.00 175.64 1srd n LEU 106 N -4.76 1.84 -4.07 -3.56 7.99 -1.26 -0.89 117.00 112.29 1srd n LEU 106 Ca 0.03 -1.84 -0.12 0.00 -0.01 0.00 0.00 56.01 54.08 1srd n LEU 106 Cb 0.55 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.75 1srd n LEU 106 CO 0.58 0.46 -0.39 0.42 -1.51 0.00 0.00 177.39 176.95 1srd s THR 107 N -0.85 0.47 0.00 -5.08 -4.23 -1.26 -4.82 115.64 99.87 1srd s THR 107 Ca 0.00 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1srd s THR 107 Cb 0.00 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.08 1srd s THR 107 CO 0.00 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 1srd n GLY 108 N 1.18 1.02 3.77 3.99 0.00 -1.26 -4.06 105.19 109.83 1srd n GLY 108 Ca -0.21 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 1srd n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1srd s PRO 109 N 0.00 4.13 0.00 1.61 0.04 -1.26 -2.60 135.00 136.92 1srd s PRO 109 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1srd s PRO 109 Cb 0.00 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1srd s PRO 109 CO 0.00 -0.22 0.00 0.09 0.04 0.00 0.00 177.00 176.91 1srd n ASN 110 N 0.08 0.00 -4.54 6.66 4.13 -1.26 -4.97 115.26 115.35 1srd n ASN 110 Ca 0.04 0.00 -0.46 0.00 1.68 0.00 0.00 54.58 55.84 1srd n ASN 110 Cb 0.48 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.69 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 0.71 -1.81 6.41 2.88 -1.07 -4.28 113.62 116.46 1srd n SER 111 Ca 0.00 1.16 -0.14 0.00 -1.33 0.00 0.00 58.87 58.57 1srd n SER 111 Cb 0.00 -1.20 0.21 0.00 -0.75 0.00 0.00 64.21 62.48 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 0.40 2.93 -2.99 2.46 0.24 -0.07 -4.95 118.33 116.34 1srd n VAL 112 Ca 0.12 -2.13 -0.37 0.00 -2.04 0.00 0.00 64.34 59.93 1srd n VAL 112 Cb 0.29 -0.40 -0.06 0.00 -1.47 0.00 0.00 33.84 32.20 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 -3.22 4.43 -0.68 3.34 1.01 -1.26 -3.19 120.40 120.83 1srd s VAL 113 Ca 0.52 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1srd s VAL 113 Cb 0.45 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1srd s VAL 113 CO 0.08 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1srd n GLY 114 N 0.79 0.84 3.85 4.51 0.00 -0.07 -4.98 105.19 110.12 1srd n GLY 114 Ca -0.01 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1srd n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srd s ARG 115 N -2.19 2.33 0.09 1.61 0.52 -1.19 -3.61 118.95 116.51 1srd s ARG 115 Ca 0.00 -1.83 0.06 0.00 -0.52 0.00 0.00 55.73 53.45 1srd s ARG 115 Cb 0.00 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 1srd s ARG 115 CO 0.00 -0.34 -0.08 0.00 0.02 0.00 0.00 175.30 174.90 1srd s ALA 116 N -2.63 3.02 -0.18 2.13 0.00 -1.02 0.11 121.76 123.19 1srd s ALA 116 Ca 0.40 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 1srd s ALA 116 Cb -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1srd s ALA 116 CO 0.23 0.65 -0.07 -0.51 0.00 0.00 0.00 175.76 176.07 1srd s LEU 117 N -2.17 2.90 0.03 0.00 1.43 -0.39 0.29 118.68 120.78 1srd s LEU 117 Ca 0.22 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1srd s LEU 117 Cb -0.11 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1srd s LEU 117 CO 0.14 0.07 -0.25 -0.69 0.23 0.00 0.00 176.35 175.85 1srd s VAL 118 N 0.94 2.04 -0.18 -1.59 1.01 0.11 -1.99 120.40 120.75 1srd s VAL 118 Ca -0.01 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 1srd s VAL 118 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1srd s VAL 118 CO 0.00 0.37 -0.06 0.54 0.00 0.00 0.00 175.10 175.95 1srd s VAL 119 N -0.77 3.45 0.28 2.92 0.11 -1.13 -0.96 120.40 124.31 1srd s VAL 119 Ca 0.11 -0.50 0.05 0.00 -2.93 0.00 0.00 61.98 58.72 1srd s VAL 119 Cb -0.10 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 1srd s VAL 119 CO 0.02 0.47 0.41 -1.00 -3.33 0.00 0.00 175.10 171.66 1srd s HIS 120 N 0.82 3.33 -0.05 1.54 3.76 -0.92 -2.00 115.29 121.77 1srd s HIS 120 Ca -0.02 -0.08 -0.22 0.00 -0.15 0.00 0.00 55.06 54.59 1srd s HIS 120 Cb -0.15 -1.74 -0.17 0.00 1.11 0.00 0.00 32.58 31.64 1srd s HIS 120 CO 0.01 0.27 0.95 1.05 -0.85 0.00 0.00 174.74 176.17 1srd h GLU 121 N 1.05 -0.18 -7.12 1.40 4.11 -0.34 -3.35 114.58 110.15 1srd h GLU 121 Ca -0.50 0.01 -0.45 0.00 0.07 0.00 0.00 59.36 58.49 1srd h GLU 121 Cb 1.24 0.04 0.07 0.00 0.50 0.00 0.00 28.75 30.60 1srd h GLU 121 CO 0.58 0.27 0.12 -0.51 0.07 0.00 0.00 179.01 179.54 1srd s LEU 122 N -9.02 3.00 0.42 3.06 2.01 -0.61 -4.74 118.68 112.80 1srd s LEU 122 Ca -0.13 0.14 -0.21 0.00 0.01 0.00 0.00 54.13 53.93 1srd s LEU 122 Cb 0.01 -2.79 -0.11 0.00 0.01 0.00 0.00 46.19 43.31 1srd s LEU 122 CO 0.52 -1.53 0.96 -1.83 1.01 0.00 0.00 176.35 175.48 1srd s GLU 123 N -5.08 4.22 0.15 1.70 -1.05 -1.24 -3.25 118.70 114.15 1srd s GLU 123 Ca 0.61 1.17 -0.25 0.00 -0.15 0.00 0.00 54.97 56.35 1srd s GLU 123 Cb -0.09 -2.23 -0.08 0.00 -0.44 0.00 0.00 34.13 31.28 1srd s GLU 123 CO 0.43 -0.04 0.76 0.34 0.95 0.00 0.00 175.26 177.69 1srd s ASP 124 N -2.10 7.35 0.47 0.83 -1.08 -0.57 -4.21 116.67 117.36 1srd s ASP 124 Ca 0.61 1.60 0.25 0.00 -0.52 0.00 0.00 52.55 54.49 1srd s ASP 124 Cb -0.11 -2.49 1.12 0.00 -1.46 0.00 0.00 42.92 39.99 1srd s ASP 124 CO 0.15 0.21 1.92 0.44 0.52 0.00 0.00 175.17 178.41 1srd h ASP 125 N 4.39 0.00 -0.01 -0.34 3.32 -1.31 -3.47 116.42 119.00 1srd h ASP 125 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1srd h ASP 125 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1srd h ASP 125 CO 0.66 0.20 -0.01 0.18 -1.72 0.00 0.00 179.24 178.55 1srd n LEU 126 N -3.53 0.19 -0.20 1.55 7.99 -1.26 -0.70 117.00 121.04 1srd n LEU 126 Ca -0.01 0.01 -0.03 0.00 -0.01 0.00 0.00 56.01 55.97 1srd n LEU 126 Cb 0.36 -0.95 -0.01 0.00 -0.11 0.00 0.00 43.42 42.70 1srd n LEU 126 CO 0.32 -0.22 -0.02 0.61 -1.51 0.00 0.00 177.39 176.57 1srd n GLY 127 N -2.13 0.59 0.16 -0.72 0.00 -1.25 -3.95 105.19 97.88 1srd n GLY 127 Ca -0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 0.17 0.55 0.00 1.61 1.57 -1.21 -3.44 116.57 115.82 1srd h LYS 128 Ca -0.05 -0.81 -0.07 0.00 -1.87 0.00 0.00 60.65 57.85 1srd h LYS 128 Cb 0.20 0.28 0.03 0.00 0.08 0.00 0.00 32.23 32.82 1srd h LYS 128 CO 0.08 1.37 0.01 0.41 -0.57 0.00 0.00 179.45 180.75 1srd n GLY 129 N 1.49 -2.78 1.71 3.86 0.00 -1.26 -5.01 105.19 103.21 1srd n GLY 129 Ca -0.14 -1.41 0.03 0.00 0.00 0.00 0.00 46.02 44.50 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 0.72 1.35 0.00 -0.02 0.00 -1.26 -4.86 105.19 101.12 1srd n GLY 130 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 0.23 0.00 0.00 1.61 -0.00 -1.26 -4.91 115.22 110.89 1srd n HIS 131 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 1srd n HIS 131 Cb 1.07 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 31.01 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 -0.86 0.00 -0.07 1.57 0.28 -1.26 -4.88 120.64 115.42 1srd n GLU 132 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1srd n GLU 132 Cb 0.00 0.00 0.34 0.00 1.43 0.00 0.00 31.44 33.21 1srd n GLU 132 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1srd n LEU 133 N 0.00 2.15 -0.08 -1.84 -0.00 -1.26 -4.24 117.00 111.73 1srd n LEU 133 Ca 0.00 -0.84 -0.07 0.00 -0.00 0.00 0.00 56.01 55.11 1srd n LEU 133 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1srd n LEU 133 CO 0.00 0.42 0.87 0.28 -0.00 0.00 0.00 177.39 178.96 1srd h SER 134 N 3.04 -0.07 0.29 1.45 0.02 -1.90 0.40 113.55 116.78 1srd h SER 134 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1srd h SER 134 Cb 0.66 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1srd h SER 134 CO 0.00 -0.00 0.00 -0.81 -1.14 0.00 0.00 176.83 174.88 1srd n PRO 135 N -5.14 0.56 -0.02 3.45 -0.04 -1.26 -3.17 135.00 129.39 1srd n PRO 135 Ca 0.00 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1srd n PRO 135 Cb 0.15 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.17 0.20 -0.03 0.52 -1.04 -1.03 -1.66 114.28 110.08 1srd n THR 136 Ca 0.15 -0.07 -0.03 0.00 -2.04 0.00 0.00 64.05 62.07 1srd n THR 136 Cb 0.16 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.58 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 -2.87 0.31 -0.49 12.58 -1.04 0.13 -4.81 114.28 118.09 1srd n THR 137 Ca -0.07 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1srd n THR 137 Cb 0.56 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 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 3.07 0.96 4.21 3.41 0.00 -0.61 -4.24 105.19 111.99 1srd n GLY 138 Ca -0.09 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 0.75 0.18 0.02 1.61 5.15 -1.20 -0.89 115.26 120.87 1srd n ASN 139 Ca 0.00 -1.18 0.11 0.00 -0.60 0.00 0.00 54.58 52.91 1srd n ASN 139 Cb 0.06 -2.12 -0.04 0.00 -0.53 0.00 0.00 39.78 37.14 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 -4.49 3.47 0.00 5.20 0.00 -1.26 -4.62 120.51 118.81 1srd n ALA 140 Ca -0.28 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1srd n ALA 140 Cb 0.67 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 1.36 0.00 0.00 0.00 0.00 -1.26 -1.57 105.19 103.72 1srd n GLY 141 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 2.05 3.51 -0.02 0.00 -1.26 -4.15 105.19 105.32 1srd n GLY 142 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.26 3.35 0.37 1.61 0.52 -1.26 0.20 118.95 123.48 1srd s ARG 143 Ca 0.00 -0.93 0.20 0.00 -0.52 0.00 0.00 55.73 54.48 1srd s ARG 143 Cb 0.00 -4.64 0.34 0.00 0.52 0.00 0.00 34.95 31.16 1srd s ARG 143 CO 0.00 -2.00 1.58 -0.07 0.02 0.00 0.00 175.30 174.83 1srd h LEU 144 N 12.01 0.00 -7.00 2.53 3.38 -1.72 -3.47 115.31 121.04 1srd h LEU 144 Ca -0.07 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.10 1srd h LEU 144 Cb 1.04 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.47 1srd h LEU 144 CO 1.26 0.27 0.89 0.00 0.09 0.00 0.00 178.44 180.95 1srd s ALA 145 N -3.17 -2.21 0.10 1.53 0.00 -1.24 -4.23 121.76 112.54 1srd s ALA 145 Ca 0.04 1.71 -0.04 0.00 0.00 0.00 0.00 51.96 53.67 1srd s ALA 145 Cb 0.07 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1srd s ALA 145 CO 0.69 -0.12 0.11 0.00 0.00 0.00 0.00 175.76 176.44 1srd s GLY 147 N -2.95 -0.10 0.09 0.00 0.00 -0.84 -2.98 107.32 100.53 1srd s GLY 147 Ca 0.14 0.18 -0.22 0.00 0.00 0.00 0.00 44.72 44.82 1srd s GLY 147 CO -0.05 -0.01 0.65 0.14 0.00 0.00 0.00 173.10 173.83 1srd s VAL 148 N -1.48 4.65 -0.52 1.40 1.01 -1.26 -1.26 120.40 122.94 1srd s VAL 148 Ca -0.13 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 62.97 1srd s VAL 148 Cb -0.05 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1srd s VAL 148 CO 0.03 0.51 1.44 -0.69 0.00 0.00 0.00 175.10 176.39 1srd s VAL 149 N -0.90 3.79 0.04 2.92 1.01 0.29 -4.61 120.40 122.95 1srd s VAL 149 Ca 0.32 0.71 0.04 0.00 0.00 0.00 0.00 61.98 63.04 1srd s VAL 149 Cb -0.20 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1srd s VAL 149 CO 0.21 -1.04 -0.02 -0.83 0.00 0.00 0.00 175.10 173.42 1srd s GLY 150 N 4.52 1.87 0.32 4.51 0.00 -0.96 -0.89 107.32 116.68 1srd s GLY 150 Ca 0.56 -1.05 -0.29 0.00 0.00 0.00 0.00 44.72 43.94 1srd s GLY 150 CO 0.27 -0.97 1.36 1.08 0.00 0.00 0.00 173.10 174.84 1srd s LEU 151 N -1.88 4.40 0.00 0.66 1.43 -1.26 -0.78 118.68 121.25 1srd s LEU 151 Ca 0.22 2.74 -0.03 0.00 -1.03 0.00 0.00 54.13 56.02 1srd s LEU 151 Cb -0.11 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1srd s LEU 151 CO 0.13 -0.62 0.06 0.28 0.23 0.00 0.00 176.35 176.43 1srd s THR 152 N -0.92 0.08 0.00 5.49 -1.32 -1.15 -4.84 115.64 112.97 1srd s THR 152 Ca 0.51 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1srd s THR 152 Cb -0.41 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1srd s THR 152 CO 0.53 -0.35 0.00 -2.65 -2.21 0.00 0.00 174.62 169.93 1srd n PRO 153 N 1.83 0.00 0.00 7.08 -0.02 -1.26 -4.12 135.00 138.51 1srd n PRO 153 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1srd n PRO 153 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1srd n PRO 153 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03