#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it8 s THR 7 N 0.00 3.76 0.48 8.89 2.01 -1.26 -4.84 115.64 124.68 3it8 s THR 7 Ca 0.00 0.78 0.30 0.00 0.31 0.00 0.00 61.69 63.08 3it8 s THR 7 Cb 0.00 -4.00 0.50 0.00 0.01 0.00 0.00 72.50 69.01 3it8 s THR 7 CO 0.00 -0.62 1.77 -0.65 -0.69 0.00 0.00 174.62 174.43 3it8 h PRO 8 N 11.36 0.14 0.00 4.92 0.11 -2.04 -3.43 132.00 143.06 3it8 h PRO 8 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3it8 h PRO 8 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3it8 h PRO 8 CO 1.06 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.81 3it8 n SER 9 N -4.37 0.00 0.00 -2.05 3.41 -1.26 -4.93 113.62 104.41 3it8 n SER 9 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 3it8 n SER 9 Cb 1.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 3it8 n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3it8 n ASP 10 N 0.00 0.00 -4.73 4.04 4.64 -1.26 -5.09 116.55 114.15 3it8 n ASP 10 Ca 0.00 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 53.00 3it8 n ASP 10 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.04 3it8 n ASP 10 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3it8 s LYS 11 N -0.36 4.59 0.26 -0.67 1.02 -1.26 -4.91 119.74 118.41 3it8 s LYS 11 Ca 0.00 1.65 -0.30 0.00 0.02 0.00 0.00 55.97 57.34 3it8 s LYS 11 Cb 0.00 -3.32 -0.11 0.00 -0.52 0.00 0.00 37.83 33.88 3it8 s LYS 11 CO 0.00 0.04 1.51 -1.25 -0.92 0.00 0.00 175.35 174.74 3it8 s PRO 12 N 0.04 4.20 0.14 -1.68 0.04 -1.26 -4.65 135.00 131.82 3it8 s PRO 12 Ca 0.50 2.43 -0.15 0.00 0.04 0.00 0.00 61.00 63.82 3it8 s PRO 12 Cb -0.27 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.22 3it8 s PRO 12 CO 0.32 -0.52 0.40 0.54 0.04 0.00 0.00 177.00 177.78 3it8 s VAL 13 N 0.04 0.07 -0.28 -0.36 0.11 -1.07 -1.70 120.40 117.22 3it8 s VAL 13 Ca 0.62 -0.73 -0.23 0.00 -2.93 0.00 0.00 61.98 58.71 3it8 s VAL 13 Cb -0.45 -1.32 0.12 0.00 -1.53 0.00 0.00 36.38 33.21 3it8 s VAL 13 CO 0.45 -0.30 0.98 0.00 -3.33 0.00 0.00 175.10 172.90 3it8 s ALA 14 N -3.84 -2.02 -0.32 1.54 0.00 0.08 -1.59 121.76 115.62 3it8 s ALA 14 Ca 0.06 1.99 -0.02 0.00 0.00 0.00 0.00 51.96 53.98 3it8 s ALA 14 Cb 0.02 -1.48 0.12 0.00 0.00 0.00 0.00 23.12 21.77 3it8 s ALA 14 CO -0.09 -0.27 0.16 -1.58 0.00 0.00 0.00 175.76 173.98 3it8 s HIS 15 N 0.56 0.55 0.11 0.00 2.46 0.69 -0.47 115.29 119.19 3it8 s HIS 15 Ca -0.00 -1.22 0.02 0.00 0.47 0.00 0.00 55.06 54.32 3it8 s HIS 15 Cb -0.05 -0.96 -0.04 0.00 -0.13 0.00 0.00 32.58 31.41 3it8 s HIS 15 CO -0.08 -0.83 0.22 0.14 -2.47 0.00 0.00 174.74 171.72 3it8 s VAL 16 N 1.66 5.19 0.27 0.89 -7.23 0.86 -0.74 120.40 121.30 3it8 s VAL 16 Ca 0.13 -0.62 0.09 0.00 -1.81 0.00 0.00 61.98 59.77 3it8 s VAL 16 Cb -0.19 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.10 3it8 s VAL 16 CO -0.22 0.02 -0.14 0.54 -0.31 0.00 0.00 175.10 174.99 3it8 s VAL 17 N -1.62 2.07 0.25 1.32 0.11 -0.36 -1.10 120.40 121.07 3it8 s VAL 17 Ca 0.34 -2.27 -0.30 0.00 -2.93 0.00 0.00 61.98 56.82 3it8 s VAL 17 Cb -0.12 -2.30 -0.09 0.00 -1.53 0.00 0.00 36.38 32.35 3it8 s VAL 17 CO 0.27 -0.42 1.11 0.00 -3.33 0.00 0.00 175.10 172.73 3it8 s ALA 18 N -2.76 3.40 -0.34 1.54 0.00 -1.06 -0.32 121.76 122.22 3it8 s ALA 18 Ca 0.28 0.89 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 3it8 s ALA 18 Cb -0.01 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3it8 s ALA 18 CO 0.12 -0.18 1.01 1.21 0.00 0.00 0.00 175.76 177.92 3it8 s ASN 19 N -0.65 6.81 0.46 0.00 3.04 0.22 -4.88 114.94 119.94 3it8 s ASN 19 Ca 0.46 0.83 0.26 0.00 0.04 0.00 0.00 52.86 54.45 3it8 s ASN 19 Cb -0.31 -2.51 0.84 0.00 -1.54 0.00 0.00 41.25 37.72 3it8 s ASN 19 CO 0.39 -0.88 1.79 -0.65 -3.04 0.00 0.00 177.10 174.71 3it8 h PRO 20 N 8.29 0.00 0.00 0.43 0.11 -1.90 -3.03 132.00 135.91 3it8 h PRO 20 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3it8 h PRO 20 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3it8 h PRO 20 CO 1.01 0.14 0.00 0.94 -0.21 0.00 0.00 178.00 179.88 3it8 n GLN 21 N -3.21 0.93 -3.06 1.05 -0.06 -1.26 -3.96 117.38 107.81 3it8 n GLN 21 Ca 0.01 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.74 3it8 n GLN 21 Cb 0.45 -1.25 -0.05 0.00 -4.06 0.00 0.00 30.24 25.32 3it8 n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3it8 n ALA 22 N -0.75 4.54 -1.46 1.69 0.00 -1.14 -5.08 120.51 118.29 3it8 n ALA 22 Ca 0.11 -4.72 -0.39 0.00 0.00 0.00 0.00 53.44 48.44 3it8 n ALA 22 Cb 0.05 -0.77 0.03 0.00 0.00 0.00 0.00 19.45 18.76 3it8 n ALA 22 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3it8 n GLU 23 N 0.02 0.55 0.00 0.00 0.28 -1.25 -2.43 120.64 117.80 3it8 n GLU 23 Ca 0.31 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 3it8 n GLU 23 Cb 0.40 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.62 3it8 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3it8 n GLY 24 N 1.78 2.90 3.24 -1.84 0.00 -1.26 -4.97 105.19 105.04 3it8 n GLY 24 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3it8 n GLY 24 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3it8 s GLN 25 N 0.00 1.30 -0.54 1.61 -2.07 -1.02 -4.39 119.66 114.56 3it8 s GLN 25 Ca 0.00 -1.70 -0.00 0.00 -1.82 0.00 0.00 55.36 51.84 3it8 s GLN 25 Cb 0.00 0.13 0.14 0.00 -1.09 0.00 0.00 33.01 32.19 3it8 s GLN 25 CO 0.00 -0.38 0.32 -1.17 -1.32 0.00 0.00 175.29 172.74 3it8 s LEU 26 N -3.22 4.91 -0.18 2.60 2.96 -1.26 -4.90 118.68 119.59 3it8 s LEU 26 Ca 0.39 -2.74 -0.05 0.00 -0.22 0.00 0.00 54.13 51.51 3it8 s LEU 26 Cb 0.07 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3it8 s LEU 26 CO 0.13 -0.35 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.22 3it8 s GLN 27 N 0.10 3.65 0.04 1.98 0.74 -1.26 -5.01 119.66 119.90 3it8 s GLN 27 Ca 0.15 -0.51 -0.20 0.00 0.05 0.00 0.00 55.36 54.84 3it8 s GLN 27 Cb -0.22 -3.01 -0.06 0.00 1.10 0.00 0.00 33.01 30.82 3it8 s GLN 27 CO -0.03 0.12 0.60 -1.58 -0.55 0.00 0.00 175.29 173.86 3it8 s TRP 28 N 0.69 3.76 0.14 1.67 0.52 -1.26 -0.61 118.94 123.84 3it8 s TRP 28 Ca -0.01 1.27 0.04 0.00 0.02 0.00 0.00 56.10 57.43 3it8 s TRP 28 Cb -0.14 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 3it8 s TRP 28 CO 0.02 0.46 -0.10 -0.51 0.02 0.00 0.00 176.95 176.84 3it8 s LEU 29 N -0.65 2.51 0.00 2.99 1.02 0.56 -4.92 118.68 120.18 3it8 s LEU 29 Ca 0.31 -0.97 0.00 0.00 0.02 0.00 0.00 54.13 53.48 3it8 s LEU 29 Cb -0.19 -0.35 0.00 0.00 0.02 0.00 0.00 46.19 45.67 3it8 s LEU 29 CO 0.19 -0.31 0.33 -0.46 0.02 0.00 0.00 176.35 176.12 3it8 n ASN 30 N -0.05 0.66 -2.17 2.29 0.23 -1.26 -1.23 115.26 113.73 3it8 n ASN 30 Ca -0.11 -0.86 -0.20 0.00 -0.53 0.00 0.00 54.58 52.88 3it8 n ASN 30 Cb 0.60 0.23 -0.05 0.00 -2.08 0.00 0.00 39.78 38.48 3it8 n ASN 30 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3it8 n ARG 31 N -0.23 2.07 -4.44 -3.83 1.85 -1.26 -4.51 116.66 106.32 3it8 n ARG 31 Ca 0.00 -1.72 -0.22 0.00 -1.00 0.00 0.00 57.85 54.91 3it8 n ARG 31 Cb 0.02 -1.90 -0.09 0.00 -1.05 0.00 0.00 32.46 29.44 3it8 n ARG 31 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3it8 s ARG 32 N -1.11 1.73 0.00 2.89 1.81 -1.26 -5.09 118.95 117.92 3it8 s ARG 32 Ca 0.49 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.49 3it8 s ARG 32 Cb 0.31 -0.51 0.00 0.00 -0.45 0.00 0.00 34.95 34.30 3it8 s ARG 32 CO -0.11 -0.39 0.10 0.00 -0.68 0.00 0.00 175.30 174.22 3it8 n ALA 33 N -0.74 0.00 -2.77 2.13 0.00 -1.26 -2.98 120.51 114.89 3it8 n ALA 33 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 3it8 n ALA 33 Cb 0.65 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.14 3it8 n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3it8 n ASN 34 N -0.34 5.89 -4.67 0.00 3.02 -1.26 -5.00 115.26 112.89 3it8 n ASN 34 Ca 0.00 -3.69 -0.25 0.00 -0.03 0.00 0.00 54.58 50.61 3it8 n ASN 34 Cb 0.00 -0.85 -0.08 0.00 -0.61 0.00 0.00 39.78 38.24 3it8 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3it8 s ALA 35 N -3.89 3.34 -0.00 5.41 0.00 -1.16 -5.02 121.76 120.44 3it8 s ALA 35 Ca 0.44 -2.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.27 3it8 s ALA 35 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3it8 s ALA 35 CO -0.14 -0.04 0.15 -0.51 0.00 0.00 0.00 175.76 175.22 3it8 s LEU 36 N -3.78 1.52 -0.44 0.00 1.43 0.08 -4.90 118.68 112.59 3it8 s LEU 36 Ca 0.37 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3it8 s LEU 36 Cb 0.03 0.69 0.19 0.00 0.03 0.00 0.00 46.19 47.13 3it8 s LEU 36 CO 0.20 -0.36 0.82 -0.22 0.23 0.00 0.00 176.35 177.02 3it8 s LEU 37 N -1.30 -1.11 0.26 1.79 2.96 -1.26 -0.23 118.68 119.80 3it8 s LEU 37 Ca -0.14 -1.06 0.02 0.00 -0.22 0.00 0.00 54.13 52.73 3it8 s LEU 37 Cb -0.07 1.45 -0.04 0.00 0.50 0.00 0.00 46.19 48.02 3it8 s LEU 37 CO 0.02 -0.07 0.15 0.00 -1.32 0.00 0.00 176.35 175.13 3it8 s ALA 38 N 1.25 1.64 -1.53 5.97 0.00 -0.62 -4.91 121.76 123.55 3it8 s ALA 38 Ca 0.24 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.27 3it8 s ALA 38 Cb 0.02 1.25 0.09 0.00 0.00 0.00 0.00 23.12 24.47 3it8 s ALA 38 CO -0.08 -0.54 0.91 0.09 0.00 0.00 0.00 175.76 176.15 3it8 n ASN 39 N -0.69 -4.13 0.00 0.00 3.02 -1.26 -2.58 115.26 109.62 3it8 n ASN 39 Ca 0.02 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 3it8 n ASN 39 Cb 0.65 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 3it8 n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it8 n GLY 40 N -1.65 2.50 3.76 7.41 0.00 -1.26 -4.18 105.19 111.76 3it8 n GLY 40 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3it8 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3it8 s VAL 41 N -1.57 2.82 0.17 1.61 0.11 -1.20 -4.51 120.40 117.83 3it8 s VAL 41 Ca 0.00 0.78 0.10 0.00 -2.93 0.00 0.00 61.98 59.93 3it8 s VAL 41 Cb 0.00 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 3it8 s VAL 41 CO 0.00 0.17 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.17 3it8 s GLU 42 N -1.31 1.82 -0.42 1.54 2.02 -1.01 -4.52 118.70 116.82 3it8 s GLU 42 Ca 0.51 -1.33 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 3it8 s GLU 42 Cb -0.39 -2.05 0.10 0.00 0.10 0.00 0.00 34.13 31.89 3it8 s GLU 42 CO 0.49 0.43 0.24 -1.17 0.02 0.00 0.00 175.26 175.27 3it8 s LEU 43 N -2.62 5.24 -0.08 1.80 2.96 -1.26 -0.14 118.68 124.58 3it8 s LEU 43 Ca 0.22 -1.78 0.03 0.00 -0.22 0.00 0.00 54.13 52.38 3it8 s LEU 43 Cb -0.09 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.69 3it8 s LEU 43 CO 0.12 -0.56 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.81 3it8 s ARG 44 N 1.29 2.27 -1.46 1.98 3.52 0.27 -4.74 118.95 122.08 3it8 s ARG 44 Ca 0.05 -0.63 -0.13 0.00 -0.13 0.00 0.00 55.73 54.88 3it8 s ARG 44 Cb -0.24 -1.80 0.10 0.00 -1.56 0.00 0.00 34.95 31.46 3it8 s ARG 44 CO -0.01 0.12 0.67 -0.25 -0.81 0.00 0.00 175.30 175.02 3it8 n ASP 45 N 3.60 -3.76 -1.01 -2.12 8.00 -1.26 -0.54 116.55 119.46 3it8 n ASP 45 Ca -0.21 -0.65 -0.11 0.00 0.71 0.00 0.00 54.79 54.53 3it8 n ASP 45 Cb 0.52 -3.08 -0.03 0.00 -0.02 0.00 0.00 41.12 38.51 3it8 n ASP 45 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3it8 n ASN 46 N -2.49 -3.95 -4.09 -2.24 5.15 -1.26 -5.02 115.26 101.36 3it8 n ASN 46 Ca 0.03 0.14 -0.16 0.00 -0.60 0.00 0.00 54.58 53.99 3it8 n ASN 46 Cb 0.52 -2.76 -0.12 0.00 -0.53 0.00 0.00 39.78 36.89 3it8 n ASN 46 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3it8 s GLN 47 N -3.65 0.66 0.08 1.20 -0.21 0.30 -4.75 119.66 113.29 3it8 s GLN 47 Ca 0.00 -0.75 -0.23 0.00 0.02 0.00 0.00 55.36 54.40 3it8 s GLN 47 Cb 0.00 -0.55 -0.06 0.00 1.00 0.00 0.00 33.01 33.40 3it8 s GLN 47 CO 0.00 0.12 0.70 -0.51 -2.12 0.00 0.00 175.29 173.48 3it8 s LEU 48 N -1.40 4.51 -0.19 2.90 1.43 -0.70 -0.57 118.68 124.66 3it8 s LEU 48 Ca -0.05 1.43 -0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3it8 s LEU 48 Cb -0.09 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 43.01 3it8 s LEU 48 CO 0.01 0.14 -0.16 -0.69 0.23 0.00 0.00 176.35 175.88 3it8 s VAL 49 N -0.64 2.40 0.16 -1.59 1.01 0.80 -0.58 120.40 121.96 3it8 s VAL 49 Ca 0.35 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3it8 s VAL 49 Cb -0.21 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 3it8 s VAL 49 CO 0.22 0.51 1.28 -0.69 0.00 0.00 0.00 175.10 176.42 3it8 s VAL 50 N 1.34 3.42 -1.55 2.92 1.01 -0.67 -2.42 120.40 124.45 3it8 s VAL 50 Ca 0.05 1.12 0.26 0.00 0.00 0.00 0.00 61.98 63.41 3it8 s VAL 50 Cb -0.13 -3.72 0.17 0.00 0.00 0.00 0.00 36.38 32.70 3it8 s VAL 50 CO -0.10 0.15 1.48 -0.81 0.00 0.00 0.00 175.10 175.81 3it8 n PRO 51 N 3.00 0.62 -3.46 2.72 -0.04 -1.26 -0.70 135.00 135.87 3it8 n PRO 51 Ca 0.07 -0.38 -0.12 0.00 -0.04 0.00 0.00 63.50 63.03 3it8 n PRO 51 Cb 0.44 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 3it8 n PRO 51 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3it8 s SER 52 N -2.64 -0.54 0.63 3.54 1.04 -1.26 -4.78 113.70 109.68 3it8 s SER 52 Ca 0.20 0.15 -0.18 0.00 0.48 0.00 0.00 55.95 56.60 3it8 s SER 52 Cb 0.19 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 3it8 s SER 52 CO 0.58 -0.80 1.06 -0.62 0.98 0.00 0.00 173.24 174.44 3it8 n GLU 53 N -0.06 0.93 0.00 4.02 -0.58 -1.26 -4.14 120.64 119.55 3it8 n GLU 53 Ca -0.15 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 3it8 n GLU 53 Cb 0.63 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 3it8 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3it8 n GLY 54 N 1.18 1.78 3.72 0.62 0.00 -0.74 -4.94 105.19 106.82 3it8 n GLY 54 Ca 0.15 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 3it8 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3it8 s LEU 55 N 0.00 4.28 0.03 0.99 1.02 -1.26 -0.64 118.68 123.10 3it8 s LEU 55 Ca 0.00 0.84 0.05 0.00 0.02 0.00 0.00 54.13 55.04 3it8 s LEU 55 Cb 0.00 -2.72 -0.02 0.00 0.02 0.00 0.00 46.19 43.48 3it8 s LEU 55 CO 0.00 0.00 -0.14 -0.31 0.02 0.00 0.00 176.35 175.92 3it8 s TYR 56 N 0.58 1.26 -0.26 0.29 1.51 0.67 -1.33 117.35 120.07 3it8 s TYR 56 Ca 0.27 -0.33 -0.13 0.00 -1.01 0.00 0.00 57.07 55.86 3it8 s TYR 56 Cb -0.15 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 3it8 s TYR 56 CO 0.11 0.03 0.29 -1.17 -1.11 0.00 0.00 175.55 173.69 3it8 s LEU 57 N -0.98 4.05 -0.07 -1.29 2.96 -0.24 -0.63 118.68 122.48 3it8 s LEU 57 Ca 0.03 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 3it8 s LEU 57 Cb -0.07 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 3it8 s LEU 57 CO 0.01 -0.10 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.14 3it8 s ILE 58 N 1.79 2.77 0.15 6.68 1.01 -0.38 -1.63 121.20 131.59 3it8 s ILE 58 Ca 0.12 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 3it8 s ILE 58 Cb -0.16 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.26 3it8 s ILE 58 CO 0.10 0.57 0.41 -0.72 0.00 0.00 0.00 174.94 175.30 3it8 s TYR 59 N -0.38 -0.08 -0.14 3.97 -0.85 -0.41 -1.42 117.35 118.05 3it8 s TYR 59 Ca 0.04 -0.26 -0.30 0.00 -0.52 0.00 0.00 57.07 56.02 3it8 s TYR 59 Cb -0.12 0.24 0.11 0.00 0.38 0.00 0.00 41.96 42.57 3it8 s TYR 59 CO 0.02 -0.76 0.92 0.45 -1.52 0.00 0.00 175.55 174.67 3it8 s SER 60 N -2.85 -0.44 -0.02 -0.18 0.15 -0.20 -1.12 113.70 109.04 3it8 s SER 60 Ca 0.07 0.49 -0.01 0.00 0.70 0.00 0.00 55.95 57.20 3it8 s SER 60 Cb 0.01 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 3it8 s SER 60 CO -0.08 -0.40 0.05 -1.58 1.20 0.00 0.00 173.24 172.44 3it8 s GLN 61 N -1.09 0.02 0.10 5.44 0.74 0.10 -1.07 119.66 123.91 3it8 s GLN 61 Ca -0.04 0.14 0.07 0.00 0.05 0.00 0.00 55.36 55.58 3it8 s GLN 61 Cb -0.00 -0.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 3it8 s GLN 61 CO 0.03 -0.08 -0.18 0.14 -0.55 0.00 0.00 175.29 174.65 3it8 s VAL 62 N 0.51 1.51 -0.19 1.34 -7.23 -1.02 -1.15 120.40 114.17 3it8 s VAL 62 Ca -0.04 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3it8 s VAL 62 Cb -0.06 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.49 3it8 s VAL 62 CO -0.02 -0.16 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.28 3it8 s LEU 63 N -1.97 2.22 0.07 1.32 0.20 -1.21 -1.70 118.68 117.61 3it8 s LEU 63 Ca 0.05 -0.83 -0.09 0.00 0.69 0.00 0.00 54.13 53.94 3it8 s LEU 63 Cb -0.09 -1.25 -0.06 0.00 -0.43 0.00 0.00 46.19 44.36 3it8 s LEU 63 CO 0.04 -0.13 0.38 -0.36 -0.29 0.00 0.00 176.35 175.99 3it8 s PHE 64 N 1.39 3.58 -0.06 5.38 0.40 -0.27 -0.48 117.98 127.92 3it8 s PHE 64 Ca -0.00 0.74 -0.05 0.00 -0.60 0.00 0.00 56.93 57.02 3it8 s PHE 64 Cb -0.16 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.27 3it8 s PHE 64 CO -0.09 0.53 0.16 0.21 0.70 0.00 0.00 175.22 176.74 3it8 s LYS 65 N -1.90 0.17 -0.03 0.44 2.20 0.79 -0.85 119.74 120.56 3it8 s LYS 65 Ca 0.32 0.27 -0.05 0.00 -0.36 0.00 0.00 55.97 56.15 3it8 s LYS 65 Cb -0.14 0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 3it8 s LYS 65 CO 0.18 -0.05 0.12 0.20 -0.36 0.00 0.00 175.35 175.44 3it8 s GLY 66 N 0.34 -0.03 -0.23 5.54 0.00 -0.54 -4.62 107.32 107.78 3it8 s GLY 66 Ca -0.02 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.63 3it8 s GLY 66 CO -0.01 0.06 0.66 1.20 0.00 0.00 0.00 173.10 175.00 3it8 s GLN 67 N -0.51 4.16 1.60 2.90 -1.52 -1.26 -0.55 119.66 124.47 3it8 s GLN 67 Ca -0.06 0.63 0.00 0.00 -1.95 0.00 0.00 55.36 53.98 3it8 s GLN 67 Cb -0.04 -3.62 0.00 0.00 -0.22 0.00 0.00 33.01 29.13 3it8 s GLN 67 CO 0.01 -0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.09 3it8 n GLY 68 N 3.97 -0.16 3.46 3.09 0.00 -0.60 -4.79 105.19 110.15 3it8 n GLY 68 Ca -0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 3it8 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it8 n PRO 70 N 2.21 2.54 -3.23 0.00 -0.02 -1.26 -4.08 135.00 131.14 3it8 n PRO 70 Ca -0.17 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.10 3it8 n PRO 70 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.04 3it8 n PRO 70 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3it8 s SER 71 N -1.38 5.07 0.00 2.55 0.15 -1.26 -4.47 113.70 114.35 3it8 s SER 71 Ca 0.00 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.78 3it8 s SER 71 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3it8 s SER 71 CO 0.00 -1.19 0.00 0.41 1.20 0.00 0.00 173.24 173.66 3it8 n THR 72 N -2.06 0.00 -3.74 6.45 -1.04 -1.26 -4.39 114.28 108.23 3it8 n THR 72 Ca 0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.99 3it8 n THR 72 Cb 0.62 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.02 3it8 n THR 72 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3it8 s HIS 73 N 0.00 -0.43 -0.09 -1.42 2.46 -1.26 -3.92 115.29 110.63 3it8 s HIS 73 Ca 0.00 1.04 0.03 0.00 0.47 0.00 0.00 55.06 56.60 3it8 s HIS 73 Cb 0.00 0.15 -0.01 0.00 -0.13 0.00 0.00 32.58 32.59 3it8 s HIS 73 CO 0.00 -0.21 -0.19 0.08 -2.47 0.00 0.00 174.74 171.95 3it8 s VAL 74 N 0.29 2.58 -0.09 0.89 1.01 -1.26 -5.09 120.40 118.73 3it8 s VAL 74 Ca -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.13 3it8 s VAL 74 Cb -0.03 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3it8 s VAL 74 CO -0.00 0.56 -0.13 -0.76 0.00 0.00 0.00 175.10 174.76 3it8 s LEU 75 N -0.03 2.77 -0.15 3.92 1.43 -1.26 -4.09 118.68 121.26 3it8 s LEU 75 Ca -0.05 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3it8 s LEU 75 Cb -0.15 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3it8 s LEU 75 CO 0.05 0.26 -0.09 -0.76 0.23 0.00 0.00 176.35 176.04 3it8 s LEU 76 N -0.24 2.91 0.01 1.79 1.43 -0.21 -4.80 118.68 119.56 3it8 s LEU 76 Ca 0.01 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3it8 s LEU 76 Cb -0.13 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3it8 s LEU 76 CO 0.03 0.13 -0.15 0.42 0.23 0.00 0.00 176.35 177.01 3it8 s THR 77 N 0.55 1.20 -0.04 5.49 -4.23 -1.26 -0.60 115.64 116.75 3it8 s THR 77 Ca -0.06 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 3it8 s THR 77 Cb -0.15 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.67 3it8 s THR 77 CO 0.03 0.24 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.96 3it8 s HIS 78 N -0.51 1.19 -0.20 3.99 5.04 -0.87 -2.88 115.29 121.05 3it8 s HIS 78 Ca 0.05 -0.35 -0.18 0.00 -1.54 0.00 0.00 55.06 53.04 3it8 s HIS 78 Cb -0.07 -0.86 0.05 0.00 0.04 0.00 0.00 32.58 31.75 3it8 s HIS 78 CO 0.00 -0.16 0.53 -0.08 -2.34 0.00 0.00 174.74 172.69 3it8 s THR 79 N 0.35 -0.00 -0.23 0.89 -1.32 -0.69 -1.33 115.64 113.30 3it8 s THR 79 Ca -0.07 0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.35 3it8 s THR 79 Cb -0.11 -0.75 -0.03 0.00 -1.51 0.00 0.00 72.50 70.10 3it8 s THR 79 CO 0.02 0.00 0.07 -0.63 -2.21 0.00 0.00 174.62 171.86 3it8 s ILE 80 N 0.42 4.41 0.20 5.08 1.01 0.65 -1.81 121.20 131.16 3it8 s ILE 80 Ca -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.57 3it8 s ILE 80 Cb -0.04 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3it8 s ILE 80 CO -0.01 0.37 0.05 -0.44 0.00 0.00 0.00 174.94 174.90 3it8 s SER 81 N 1.32 4.95 -0.06 3.58 0.01 0.37 -0.82 113.70 123.05 3it8 s SER 81 Ca 0.05 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 56.98 3it8 s SER 81 Cb -0.15 -1.11 -0.00 0.00 0.21 0.00 0.00 66.02 64.97 3it8 s SER 81 CO 0.03 0.05 -0.21 -0.60 0.41 0.00 0.00 173.24 172.93 3it8 s ARG 82 N -3.21 2.36 -0.33 12.44 3.52 -0.38 -1.17 118.95 132.17 3it8 s ARG 82 Ca 0.29 -0.77 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3it8 s ARG 82 Cb -0.09 -1.94 0.10 0.00 -1.56 0.00 0.00 34.95 31.45 3it8 s ARG 82 CO 0.20 0.26 0.04 0.96 -0.81 0.00 0.00 175.30 175.96 3it8 s ILE 83 N 0.08 2.06 0.51 4.11 -5.25 -0.45 -1.51 121.20 120.74 3it8 s ILE 83 Ca -0.08 -2.12 -0.20 0.00 -0.99 0.00 0.00 60.65 57.26 3it8 s ILE 83 Cb -0.14 -2.49 -0.08 0.00 2.95 0.00 0.00 42.46 42.71 3it8 s ILE 83 CO 0.04 -0.55 1.07 0.00 -1.79 0.00 0.00 174.94 173.72 3it8 s ALA 84 N 1.03 2.81 0.39 2.27 0.00 -1.24 -1.84 121.76 125.19 3it8 s ALA 84 Ca 0.09 0.68 0.10 0.00 0.00 0.00 0.00 51.96 52.83 3it8 s ALA 84 Cb -0.19 -3.29 0.81 0.00 0.00 0.00 0.00 23.12 20.45 3it8 s ALA 84 CO -0.10 -0.47 1.93 0.28 0.00 0.00 0.00 175.76 177.39 3it8 h VAL 85 N 1.42 1.17 -0.43 0.00 2.07 -1.88 -2.01 116.25 116.60 3it8 h VAL 85 Ca -0.50 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3it8 h VAL 85 Cb 1.23 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3it8 h VAL 85 CO 0.58 0.23 0.00 -1.20 0.02 0.00 0.00 177.57 177.21 3it8 n SER 86 N -4.28 2.53 -2.71 0.57 7.64 -1.26 -4.54 113.62 111.56 3it8 n SER 86 Ca -0.01 -1.95 -0.06 0.00 1.01 0.00 0.00 58.87 57.86 3it8 n SER 86 Cb 0.26 -0.28 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 3it8 n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3it8 n TYR 87 N 0.88 -2.12 -0.72 1.43 -0.00 -0.78 -5.08 117.16 110.77 3it8 n TYR 87 Ca 0.17 -1.19 -0.28 0.00 -0.00 0.00 0.00 57.90 56.59 3it8 n TYR 87 Cb 0.41 1.33 -0.08 0.00 -0.00 0.00 0.00 39.34 41.01 3it8 n TYR 87 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3it8 n GLN 88 N 1.91 0.00 -3.68 2.98 3.00 -1.03 -3.59 117.38 116.99 3it8 n GLN 88 Ca 0.08 -0.67 -0.12 0.00 -0.01 0.00 0.00 57.00 56.27 3it8 n GLN 88 Cb 0.65 -2.02 -0.09 0.00 0.00 0.00 0.00 30.24 28.78 3it8 n GLN 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3it8 s THR 89 N 5.92 -0.00 0.09 5.09 2.01 -1.26 -4.99 115.64 122.49 3it8 s THR 89 Ca 0.45 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.16 3it8 s THR 89 Cb 0.09 -0.80 -0.09 0.00 0.01 0.00 0.00 72.50 71.70 3it8 s THR 89 CO 0.22 0.01 1.77 -0.54 -0.69 0.00 0.00 174.62 175.39 3it8 s LYS 90 N 0.64 4.16 -0.07 4.92 1.02 -1.26 -4.31 119.74 124.84 3it8 s LYS 90 Ca -0.03 2.49 0.02 0.00 0.02 0.00 0.00 55.97 58.47 3it8 s LYS 90 Cb -0.05 -3.67 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 3it8 s LYS 90 CO -0.04 -0.81 -0.12 0.14 -0.92 0.00 0.00 175.35 173.60 3it8 s VAL 91 N 2.92 1.13 0.13 3.17 -7.23 -0.57 -4.94 120.40 115.00 3it8 s VAL 91 Ca 0.79 -0.46 -0.31 0.00 -1.81 0.00 0.00 61.98 60.19 3it8 s VAL 91 Cb -0.43 -1.04 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 3it8 s VAL 91 CO 0.35 0.36 1.34 0.20 -0.31 0.00 0.00 175.10 177.04 3it8 s ASN 92 N 0.81 6.88 -0.26 4.85 0.01 -1.26 -1.25 114.94 124.71 3it8 s ASN 92 Ca -0.12 2.30 -0.05 0.00 -0.71 0.00 0.00 52.86 54.27 3it8 s ASN 92 Cb -0.15 -2.59 -0.14 0.00 0.41 0.00 0.00 41.25 38.77 3it8 s ASN 92 CO 0.02 -0.60 -0.28 0.18 -1.51 0.00 0.00 177.10 174.91 3it8 n LEU 93 N 3.66 2.47 -3.88 0.60 4.77 0.00 -4.93 117.00 119.69 3it8 n LEU 93 Ca 0.10 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3it8 n LEU 93 Cb 0.43 -0.84 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 3it8 n LEU 93 CO 0.58 0.75 -0.37 -0.76 -1.33 0.00 0.00 177.39 176.27 3it8 s LEU 94 N -6.95 1.91 -0.18 2.23 1.43 -1.11 -5.00 118.68 111.01 3it8 s LEU 94 Ca -0.36 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.46 3it8 s LEU 94 Cb 0.12 -0.06 0.07 0.00 0.03 0.00 0.00 46.19 46.34 3it8 s LEU 94 CO 0.53 -0.00 0.69 -0.55 0.23 0.00 0.00 176.35 177.25 3it8 s SER 95 N 0.09 -0.69 0.06 2.29 0.15 -1.26 -0.25 113.70 114.08 3it8 s SER 95 Ca -0.01 1.12 -0.05 0.00 0.70 0.00 0.00 55.95 57.71 3it8 s SER 95 Cb -0.02 1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 65.34 3it8 s SER 95 CO -0.00 -0.39 0.09 0.00 1.20 0.00 0.00 173.24 174.13 3it8 s ALA 96 N -0.27 0.10 0.05 5.45 0.00 -0.44 -5.02 121.76 121.63 3it8 s ALA 96 Ca -0.05 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3it8 s ALA 96 Cb -0.03 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 3it8 s ALA 96 CO 0.05 -0.42 -0.12 0.42 0.00 0.00 0.00 175.76 175.68 3it8 s ILE 97 N -3.67 0.96 -0.09 0.00 1.01 -1.26 -2.04 121.20 116.11 3it8 s ILE 97 Ca 0.04 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 3it8 s ILE 97 Cb 0.05 -0.91 0.03 0.00 0.01 0.00 0.00 42.46 41.65 3it8 s ILE 97 CO -0.10 -0.12 0.22 -0.75 0.00 0.00 0.00 174.94 174.19 3it8 s LYS 98 N -1.31 0.22 -0.53 2.79 2.20 0.23 -4.99 119.74 118.34 3it8 s LYS 98 Ca -0.01 0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.90 3it8 s LYS 98 Cb -0.08 0.01 0.14 0.00 -1.51 0.00 0.00 37.83 36.38 3it8 s LYS 98 CO 0.01 -0.09 0.39 -1.54 -0.36 0.00 0.00 175.35 173.76 3it8 s SER 99 N 0.62 5.68 0.00 1.43 1.04 -1.26 -1.04 113.70 120.17 3it8 s SER 99 Ca -0.04 -2.18 0.00 0.00 0.48 0.00 0.00 55.95 54.21 3it8 s SER 99 Cb -0.06 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.08 3it8 s SER 99 CO -0.03 -0.61 0.53 -0.81 0.98 0.00 0.00 173.24 173.30 3it8 n PRO 100 N 4.52 0.00 -2.60 4.02 -0.04 -1.26 -4.54 135.00 135.10 3it8 n PRO 100 Ca -0.02 0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 3it8 n PRO 100 Cb 0.41 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 3it8 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3it8 n GLN 102 N 7.98 1.28 -0.83 0.00 6.02 -1.26 -4.29 117.38 126.27 3it8 n GLN 102 Ca 0.11 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 3it8 n GLN 102 Cb 0.49 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.36 3it8 n GLN 102 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3it8 n ARG 103 N 1.92 -0.01 -0.33 -1.09 3.00 -1.25 -4.90 116.66 114.00 3it8 n ARG 103 Ca 0.15 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.08 3it8 n ARG 103 Cb 0.61 -3.18 0.17 0.00 0.00 0.00 0.00 32.46 30.06 3it8 n ARG 103 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3it8 h GLU 104 N 1.97 0.01 -3.74 -0.14 9.09 -1.87 -3.47 114.58 116.43 3it8 h GLU 104 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3it8 h GLU 104 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3it8 h GLU 104 CO 0.00 0.01 -0.40 0.25 0.05 0.00 0.00 179.01 178.92 3it8 n THR 105 N -5.56 -5.65 -1.33 -1.06 -2.24 -1.26 -4.60 114.28 92.57 3it8 n THR 105 Ca 0.17 1.42 -0.58 0.00 -2.27 0.00 0.00 64.05 62.78 3it8 n THR 105 Cb 0.54 -2.75 -0.11 0.00 -2.10 0.00 0.00 70.33 65.92 3it8 n THR 105 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3it8 n PRO 106 N 1.75 0.28 -0.33 -0.78 -0.02 -1.26 -4.80 135.00 129.84 3it8 n PRO 106 Ca 0.00 0.08 0.22 0.00 -2.02 0.00 0.00 63.50 61.78 3it8 n PRO 106 Cb 0.00 -1.74 0.44 0.00 -0.02 0.00 0.00 33.50 32.18 3it8 n PRO 106 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3it8 h GLU 107 N 9.55 0.36 0.00 -0.52 4.22 -1.97 -3.43 114.58 122.78 3it8 h GLU 107 Ca -0.17 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.25 3it8 h GLU 107 Cb 1.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3it8 h GLU 107 CO 1.06 0.24 0.00 0.41 -2.18 0.00 0.00 179.01 178.54 3it8 n GLY 108 N -1.30 0.27 2.74 1.92 0.00 -1.26 -5.12 105.19 102.44 3it8 n GLY 108 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 3it8 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it8 s ALA 109 N 0.00 0.70 0.00 4.61 0.00 -1.26 -5.06 121.76 120.74 3it8 s ALA 109 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3it8 s ALA 109 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3it8 s ALA 109 CO 0.00 -0.66 0.00 0.39 0.00 0.00 0.00 175.76 175.49 3it8 n GLU 110 N 5.15 0.00 -0.96 0.00 -0.58 -1.26 -5.03 120.64 117.96 3it8 n GLU 110 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3it8 n GLU 110 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 3it8 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3it8 n ALA 111 N 2.42 -1.92 -0.97 0.62 0.00 -1.26 -4.97 120.51 114.43 3it8 n ALA 111 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3it8 n ALA 111 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 3it8 n ALA 111 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3it8 s LYS 112 N -0.91 -0.02 0.50 0.00 3.01 -1.26 -3.42 119.74 117.64 3it8 s LYS 112 Ca 0.00 0.62 -0.09 0.00 -1.01 0.00 0.00 55.97 55.48 3it8 s LYS 112 Cb 0.00 -1.68 -0.05 0.00 -1.01 0.00 0.00 37.83 35.09 3it8 s LYS 112 CO 0.00 -3.06 0.86 -1.25 0.51 0.00 0.00 175.35 172.41 3it8 s PRO 113 N -4.81 3.67 0.03 -1.68 0.04 -1.26 -1.56 135.00 129.43 3it8 s PRO 113 Ca 0.66 0.49 0.05 0.00 0.04 0.00 0.00 61.00 62.25 3it8 s PRO 113 Cb -0.21 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 3it8 s PRO 113 CO 0.60 -0.25 -0.14 1.67 0.04 0.00 0.00 177.00 178.91 3it8 s TRP 114 N -2.73 1.27 -0.05 0.56 1.48 0.28 -4.88 118.94 114.87 3it8 s TRP 114 Ca 0.52 -0.34 0.05 0.00 -1.06 0.00 0.00 56.10 55.27 3it8 s TRP 114 Cb -0.10 -0.76 -0.01 0.00 -1.16 0.00 0.00 33.47 31.44 3it8 s TRP 114 CO 0.42 0.03 -0.21 0.71 -4.06 0.00 0.00 176.95 173.84 3it8 s TYR 115 N -0.78 2.09 -0.22 1.66 1.51 -1.26 -1.47 117.35 118.87 3it8 s TYR 115 Ca 0.02 -0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 55.46 3it8 s TYR 115 Cb -0.08 -1.38 0.09 0.00 -0.11 0.00 0.00 41.96 40.49 3it8 s TYR 115 CO 0.01 -0.17 0.18 -2.00 -1.11 0.00 0.00 175.55 172.45 3it8 s GLU 116 N -0.13 0.17 0.32 -0.62 2.56 -0.03 -5.00 118.70 115.98 3it8 s GLU 116 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.97 54.87 3it8 s GLU 116 Cb -0.12 -1.30 -0.04 0.00 2.00 0.00 0.00 34.13 34.66 3it8 s GLU 116 CO 0.02 -0.78 0.55 -1.25 -0.56 0.00 0.00 175.26 173.25 3it8 s PRO 117 N 2.24 3.55 -0.05 4.30 0.04 -1.26 -1.11 135.00 142.70 3it8 s PRO 117 Ca 0.06 -0.17 -0.02 0.00 0.04 0.00 0.00 61.00 60.91 3it8 s PRO 117 Cb -0.16 -2.66 0.04 0.00 0.04 0.00 0.00 34.50 31.77 3it8 s PRO 117 CO -0.18 0.18 0.11 0.42 0.04 0.00 0.00 177.00 177.56 3it8 s ILE 118 N -2.21 -0.09 0.02 0.56 1.01 -0.69 -4.98 121.20 114.83 3it8 s ILE 118 Ca 0.42 0.24 0.05 0.00 0.00 0.00 0.00 60.65 61.36 3it8 s ILE 118 Cb -0.10 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 3it8 s ILE 118 CO 0.34 0.10 -0.13 -0.47 0.00 0.00 0.00 174.94 174.78 3it8 s TYR 119 N 1.42 2.71 -0.00 3.97 5.04 -1.26 -2.42 117.35 126.80 3it8 s TYR 119 Ca -0.06 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 3it8 s TYR 119 Cb -0.12 -1.53 0.00 0.00 0.35 0.00 0.00 41.96 40.66 3it8 s TYR 119 CO -0.05 0.31 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.94 3it8 s LEU 120 N -1.43 1.91 -0.28 6.97 1.02 -0.23 -4.99 118.68 121.64 3it8 s LEU 120 Ca 0.16 -0.03 -0.26 0.00 0.02 0.00 0.00 54.13 54.02 3it8 s LEU 120 Cb -0.11 -0.12 0.17 0.00 0.02 0.00 0.00 46.19 46.15 3it8 s LEU 120 CO 0.06 0.01 1.29 -0.83 0.02 0.00 0.00 176.35 176.90 3it8 s GLY 121 N 0.07 0.14 0.02 -3.19 0.00 -1.26 -1.03 107.32 102.08 3it8 s GLY 121 Ca -0.00 3.11 -0.29 0.00 0.00 0.00 0.00 44.72 47.54 3it8 s GLY 121 CO -0.00 1.76 1.20 -0.32 0.00 0.00 0.00 173.10 175.74 3it8 s GLY 122 N -0.10 -0.37 -0.13 0.20 0.00 -0.50 -5.00 107.32 101.41 3it8 s GLY 122 Ca 0.06 0.58 -0.07 0.00 0.00 0.00 0.00 44.72 45.29 3it8 s GLY 122 CO -0.11 0.10 0.11 0.14 0.00 0.00 0.00 173.10 173.34 3it8 s VAL 123 N -2.64 5.25 0.02 1.40 1.01 -1.26 -1.25 120.40 122.93 3it8 s VAL 123 Ca 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 3it8 s VAL 123 Cb 0.03 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 3it8 s VAL 123 CO -0.02 0.58 0.03 -0.36 0.00 0.00 0.00 175.10 175.33 3it8 s PHE 124 N -0.72 0.20 -0.21 5.22 0.40 0.20 -4.95 117.98 118.12 3it8 s PHE 124 Ca 0.13 -0.42 -0.22 0.00 -0.60 0.00 0.00 56.93 55.81 3it8 s PHE 124 Cb -0.12 -0.15 -0.02 0.00 0.51 0.00 0.00 43.02 43.25 3it8 s PHE 124 CO 0.03 -0.24 0.71 -1.14 0.70 0.00 0.00 175.22 175.28 3it8 s GLN 125 N -1.63 4.21 0.10 0.44 -0.44 -1.26 -0.24 119.66 120.84 3it8 s GLN 125 Ca -0.14 0.76 0.08 0.00 -2.50 0.00 0.00 55.36 53.56 3it8 s GLN 125 Cb -0.08 -3.60 -0.04 0.00 -1.64 0.00 0.00 33.01 27.65 3it8 s GLN 125 CO -0.01 -0.35 -0.21 -0.51 0.50 0.00 0.00 175.29 174.71 3it8 s LEU 126 N 2.27 2.30 0.15 3.68 1.02 0.19 -5.00 118.68 123.29 3it8 s LEU 126 Ca 0.32 -0.69 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 3it8 s LEU 126 Cb -0.16 -0.90 -0.05 0.00 0.02 0.00 0.00 46.19 45.11 3it8 s LEU 126 CO 0.10 0.06 0.34 -1.61 0.02 0.00 0.00 176.35 175.26 3it8 s GLU 127 N -1.93 3.53 0.12 1.70 2.02 -1.26 -1.79 118.70 121.09 3it8 s GLU 127 Ca 0.07 -0.31 -0.31 0.00 0.02 0.00 0.00 54.97 54.44 3it8 s GLU 127 Cb -0.10 -2.89 -0.10 0.00 0.10 0.00 0.00 34.13 31.13 3it8 s GLU 127 CO 0.04 0.47 1.79 0.21 0.02 0.00 0.00 175.26 177.80 3it8 s LYS 128 N -2.95 4.15 0.00 1.61 2.20 -1.26 -1.79 119.74 121.70 3it8 s LYS 128 Ca 0.38 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 3it8 s LYS 128 Cb -0.12 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 3it8 s LYS 128 CO 0.27 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 3it8 n GLY 129 N 4.17 1.34 3.74 5.54 0.00 0.12 -4.84 105.19 115.27 3it8 n GLY 129 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3it8 n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3it8 s ASP 130 N -1.76 5.01 -0.16 1.61 1.01 -0.74 -4.62 116.67 117.01 3it8 s ASP 130 Ca 0.00 2.69 -0.01 0.00 0.71 0.00 0.00 52.55 55.94 3it8 s ASP 130 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 3it8 s ASP 130 CO 0.00 -1.74 -0.12 -0.13 0.21 0.00 0.00 175.17 173.39 3it8 s ARG 131 N -3.12 3.34 -0.10 8.23 0.52 -0.76 -1.67 118.95 125.39 3it8 s ARG 131 Ca 0.76 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 55.28 3it8 s ARG 131 Cb -0.39 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 3it8 s ARG 131 CO 0.44 0.07 -0.05 -0.51 0.02 0.00 0.00 175.30 175.27 3it8 s LEU 132 N 0.72 3.26 -0.02 2.53 1.43 0.25 -1.34 118.68 125.51 3it8 s LEU 132 Ca -0.05 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 3it8 s LEU 132 Cb -0.15 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 3it8 s LEU 132 CO 0.02 0.30 -0.22 -0.44 0.23 0.00 0.00 176.35 176.24 3it8 s SER 133 N -0.45 2.58 -0.37 2.29 0.01 -0.32 -1.71 113.70 115.72 3it8 s SER 133 Ca 0.07 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.96 3it8 s SER 133 Cb -0.12 -0.29 0.11 0.00 0.21 0.00 0.00 66.02 65.93 3it8 s SER 133 CO 0.02 0.27 0.11 0.00 0.41 0.00 0.00 173.24 174.05 3it8 s ALA 134 N -0.52 2.61 0.30 1.44 0.00 -1.26 -0.48 121.76 123.85 3it8 s ALA 134 Ca 0.08 -2.48 0.10 0.00 0.00 0.00 0.00 51.96 49.67 3it8 s ALA 134 Cb -0.08 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 3it8 s ALA 134 CO -0.01 -1.77 -0.08 -1.21 0.00 0.00 0.00 175.76 172.69 3it8 s GLU 135 N 0.81 1.94 0.17 0.00 2.02 -0.75 -4.97 118.70 117.92 3it8 s GLU 135 Ca 0.12 -1.72 0.04 0.00 0.02 0.00 0.00 54.97 53.43 3it8 s GLU 135 Cb -0.20 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 3it8 s GLU 135 CO -0.10 0.25 -0.06 0.96 0.02 0.00 0.00 175.26 176.33 3it8 s ILE 136 N -2.49 1.05 -0.12 -1.63 -4.36 -1.26 -1.71 121.20 110.68 3it8 s ILE 136 Ca 0.32 -2.04 0.17 0.00 -0.26 0.00 0.00 60.65 58.84 3it8 s ILE 136 Cb -0.03 -1.99 -0.22 0.00 1.25 0.00 0.00 42.46 41.48 3it8 s ILE 136 CO 0.17 -0.62 0.51 -0.46 0.24 0.00 0.00 174.94 174.78 3it8 n ASN 137 N -0.24 0.49 -3.35 4.36 6.94 -1.14 -4.64 115.26 117.68 3it8 n ASN 137 Ca -0.09 0.22 -0.27 0.00 -0.02 0.00 0.00 54.58 54.42 3it8 n ASN 137 Cb 0.62 0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 38.56 3it8 n ASN 137 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3it8 n ARG 138 N -2.80 2.68 0.08 -3.83 5.12 -1.26 -4.90 116.66 111.75 3it8 n ARG 138 Ca -0.18 -4.71 0.05 0.00 -1.93 0.00 0.00 57.85 51.08 3it8 n ARG 138 Cb 0.95 -2.26 0.27 0.00 -1.16 0.00 0.00 32.46 30.26 3it8 n ARG 138 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3it8 n PRO 139 N 0.67 0.06 0.03 5.56 -0.04 -1.26 -0.90 135.00 139.12 3it8 n PRO 139 Ca 0.30 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.42 3it8 n PRO 139 Cb 0.41 -1.76 0.49 0.00 -0.04 0.00 0.00 33.50 32.60 3it8 n PRO 139 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3it8 n ASP 140 N -1.84 0.17 -0.74 3.54 5.68 -1.26 -2.66 116.55 119.44 3it8 n ASP 140 Ca -0.01 0.52 0.07 0.00 -0.50 0.00 0.00 54.79 54.88 3it8 n ASP 140 Cb 0.06 -0.57 0.14 0.00 -1.14 0.00 0.00 41.12 39.62 3it8 n ASP 140 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3it8 n TYR 141 N -1.67 0.35 -1.90 2.11 0.53 -0.08 -4.98 117.16 111.53 3it8 n TYR 141 Ca 0.05 -0.28 -0.43 0.00 -1.02 0.00 0.00 57.90 56.23 3it8 n TYR 141 Cb 0.29 -0.01 -0.03 0.00 -1.03 0.00 0.00 39.34 38.57 3it8 n TYR 141 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3it8 s LEU 142 N -1.11 3.97 -0.64 7.72 1.43 -1.09 -0.15 118.68 128.83 3it8 s LEU 142 Ca 0.25 1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 55.17 3it8 s LEU 142 Cb 0.14 -3.53 0.15 0.00 0.03 0.00 0.00 46.19 42.99 3it8 s LEU 142 CO 0.20 -1.32 0.62 -0.22 0.23 0.00 0.00 176.35 175.86 3it8 s LEU 143 N 5.55 6.18 -0.31 1.79 2.96 0.37 -4.85 118.68 130.36 3it8 s LEU 143 Ca 0.82 -1.98 0.07 0.00 -0.22 0.00 0.00 54.13 52.82 3it8 s LEU 143 Cb -0.32 -2.23 0.46 0.00 0.50 0.00 0.00 46.19 44.60 3it8 s LEU 143 CO 0.33 -0.83 1.26 2.22 -1.32 0.00 0.00 176.35 178.01 3it8 n PHE 144 N 5.13 2.39 0.06 5.38 -0.00 -1.26 -4.60 117.46 124.56 3it8 n PHE 144 Ca -0.05 -2.17 -0.20 0.00 -0.00 0.00 0.00 57.45 55.03 3it8 n PHE 144 Cb 0.42 -0.41 -0.14 0.00 -0.00 0.00 0.00 39.48 39.36 3it8 n PHE 144 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3it8 h ALA 145 N 1.98 -0.04 -3.00 1.98 0.00 -1.98 -3.43 119.26 114.78 3it8 h ALA 145 Ca 0.34 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3it8 h ALA 145 Cb 1.43 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3it8 h ALA 145 CO 0.71 0.46 0.00 -1.91 0.00 0.00 0.00 179.25 178.51 3it8 n GLU 146 N -4.05 0.00 0.00 0.00 0.00 -1.26 -5.08 120.64 110.25 3it8 n GLU 146 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.03 3it8 n GLU 146 Cb 0.84 -0.57 0.00 0.00 0.00 0.00 0.00 31.44 31.71 3it8 n GLU 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3it8 n SER 147 N -0.34 0.00 -1.75 4.31 2.88 -1.26 -4.97 113.62 112.49 3it8 n SER 147 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3it8 n SER 147 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 3it8 n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3it8 n GLY 148 N 0.00 3.64 0.07 0.46 0.00 -1.26 -4.16 105.19 103.93 3it8 n GLY 148 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.30 3it8 n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3it8 n GLN 149 N 0.42 0.64 -3.68 1.61 6.02 -1.26 -4.84 117.38 116.28 3it8 n GLN 149 Ca 0.24 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.98 3it8 n GLN 149 Cb 0.64 -1.67 -0.17 0.00 1.02 0.00 0.00 30.24 30.06 3it8 n GLN 149 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3it8 s VAL 150 N -3.30 0.13 0.18 5.09 1.01 -1.26 -3.35 120.40 118.90 3it8 s VAL 150 Ca -0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3it8 s VAL 150 Cb 0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3it8 s VAL 150 CO 0.85 -0.05 0.31 -0.72 0.00 0.00 0.00 175.10 175.49 3it8 s TYR 151 N 2.05 0.43 -0.20 5.22 1.13 -0.30 -2.55 117.35 123.14 3it8 s TYR 151 Ca 0.03 -0.78 -0.10 0.00 -1.41 0.00 0.00 57.07 54.80 3it8 s TYR 151 Cb -0.15 -0.04 0.07 0.00 -1.10 0.00 0.00 41.96 40.75 3it8 s TYR 151 CO -0.07 -0.77 0.47 0.12 -2.51 0.00 0.00 175.55 172.80 3it8 s PHE 152 N -3.99 -0.74 0.25 -3.49 5.36 -0.26 -0.72 117.98 114.39 3it8 s PHE 152 Ca 0.20 1.52 -0.16 0.00 -0.96 0.00 0.00 56.93 57.52 3it8 s PHE 152 Cb 0.03 0.36 0.01 0.00 -0.34 0.00 0.00 43.02 43.08 3it8 s PHE 152 CO 0.02 -0.41 0.57 0.20 -1.46 0.00 0.00 175.22 174.15 3it8 s GLY 153 N 1.64 0.22 -0.04 13.12 0.00 -0.28 -0.10 107.32 121.87 3it8 s GLY 153 Ca -0.09 -0.58 -0.17 0.00 0.00 0.00 0.00 44.72 43.89 3it8 s GLY 153 CO -0.14 -0.38 0.37 -0.26 0.00 0.00 0.00 173.10 172.68 3it8 s ILE 154 N -3.96 0.04 -0.02 0.90 -4.36 0.38 -1.29 121.20 112.89 3it8 s ILE 154 Ca 0.16 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.23 3it8 s ILE 154 Cb -0.03 -0.65 0.02 0.00 1.25 0.00 0.00 42.46 43.05 3it8 s ILE 154 CO 0.06 -0.18 0.01 -0.51 0.24 0.00 0.00 174.94 174.56 3it8 s ILE 155 N -1.02 0.05 -0.26 8.37 1.10 -0.65 -0.74 121.20 128.05 3it8 s ILE 155 Ca -0.11 0.09 -0.29 0.00 -0.51 0.00 0.00 60.65 59.84 3it8 s ILE 155 Cb -0.04 -0.13 0.01 0.00 0.15 0.00 0.00 42.46 42.45 3it8 s ILE 155 CO 0.04 0.08 1.05 0.00 -2.11 0.00 0.00 174.94 174.00 3it8 s ALA 156 N 0.68 3.62 -2.51 1.50 0.00 -0.69 -1.08 121.76 123.27 3it8 s ALA 156 Ca -0.06 0.09 0.28 0.00 0.00 0.00 0.00 51.96 52.27 3it8 s ALA 156 Cb -0.09 -3.59 1.03 0.00 0.00 0.00 0.00 23.12 20.47 3it8 s ALA 156 CO -0.02 -1.21 1.73 1.28 0.00 0.00 0.00 175.76 177.55