#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 3.77 0.48 8.89 2.01 -1.26 -4.84 115.64 124.69 3it8 s THR 7 Ca 0.00 0.79 0.30 0.00 0.31 0.00 0.00 61.69 63.09 3it8 s THR 7 Cb 0.00 -4.00 0.49 0.00 0.01 0.00 0.00 72.50 69.00 3it8 s THR 7 CO 0.00 -0.61 1.77 -0.65 -0.69 0.00 0.00 174.62 174.44 3it8 h PRO 8 N 11.31 0.15 0.00 4.92 0.11 -2.04 -3.43 132.00 143.01 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 32.20 3it8 h PRO 8 CO 1.06 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.82 3it8 n SER 9 N -4.38 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 1.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.31 4.57 0.25 -0.67 1.02 -1.26 -4.90 119.74 118.44 3it8 s LYS 11 Ca 0.00 1.69 -0.30 0.00 0.02 0.00 0.00 55.97 57.38 3it8 s LYS 11 Cb 0.00 -3.31 -0.11 0.00 -0.52 0.00 0.00 37.83 33.90 3it8 s LYS 11 CO 0.00 0.02 1.53 -1.25 -0.92 0.00 0.00 175.35 174.73 3it8 s PRO 12 N -0.02 4.20 0.12 -1.68 0.04 -1.26 -4.65 135.00 131.75 3it8 s PRO 12 Ca 0.51 2.43 -0.16 0.00 0.04 0.00 0.00 61.00 63.82 3it8 s PRO 12 Cb -0.29 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.21 3it8 s PRO 12 CO 0.33 -0.54 0.40 0.54 0.04 0.00 0.00 177.00 177.76 3it8 s VAL 13 N 0.20 0.07 -0.28 -0.36 0.11 -1.06 -1.66 120.40 117.42 3it8 s VAL 13 Ca 0.63 -0.59 -0.23 0.00 -2.93 0.00 0.00 61.98 58.87 3it8 s VAL 13 Cb -0.45 -1.17 0.12 0.00 -1.53 0.00 0.00 36.38 33.35 3it8 s VAL 13 CO 0.43 -0.32 0.95 0.00 -3.33 0.00 0.00 175.10 172.83 3it8 s ALA 14 N -3.81 -1.99 -0.31 1.54 0.00 0.01 -1.50 121.76 115.70 3it8 s ALA 14 Ca 0.03 2.00 -0.03 0.00 0.00 0.00 0.00 51.96 53.96 3it8 s ALA 14 Cb 0.02 -1.45 0.11 0.00 0.00 0.00 0.00 23.12 21.80 3it8 s ALA 14 CO -0.12 -0.28 0.15 -1.58 0.00 0.00 0.00 175.76 173.93 3it8 s HIS 15 N 0.55 0.47 0.14 0.00 2.46 0.38 -0.38 115.29 118.91 3it8 s HIS 15 Ca -0.00 -1.11 0.02 0.00 0.47 0.00 0.00 55.06 54.44 3it8 s HIS 15 Cb -0.05 -0.93 -0.04 0.00 -0.13 0.00 0.00 32.58 31.43 3it8 s HIS 15 CO -0.08 -0.83 0.26 0.14 -2.47 0.00 0.00 174.74 171.76 3it8 s VAL 16 N 1.80 5.25 0.23 0.89 -7.23 0.11 -0.67 120.40 120.77 3it8 s VAL 16 Ca 0.11 -0.68 0.08 0.00 -1.81 0.00 0.00 61.98 59.68 3it8 s VAL 16 Cb -0.18 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 3it8 s VAL 16 CO -0.26 -0.06 -0.13 0.54 -0.31 0.00 0.00 175.10 174.87 3it8 s VAL 17 N -1.71 1.79 0.29 1.32 0.11 -0.32 -1.15 120.40 120.73 3it8 s VAL 17 Ca 0.34 -2.21 -0.29 0.00 -2.93 0.00 0.00 61.98 56.88 3it8 s VAL 17 Cb -0.11 -2.15 -0.10 0.00 -1.53 0.00 0.00 36.38 32.49 3it8 s VAL 17 CO 0.28 -0.52 1.16 0.00 -3.33 0.00 0.00 175.10 172.69 3it8 s ALA 18 N -2.94 3.43 -0.32 1.54 0.00 -1.02 -0.47 121.76 121.99 3it8 s ALA 18 Ca 0.25 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 52.93 3it8 s ALA 18 Cb -0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3it8 s ALA 18 CO 0.09 -0.29 0.96 1.21 0.00 0.00 0.00 175.76 177.73 3it8 s ASN 19 N -0.73 6.81 0.46 0.00 3.04 0.22 -4.87 114.94 119.86 3it8 s ASN 19 Ca 0.46 0.86 0.27 0.00 0.04 0.00 0.00 52.86 54.49 3it8 s ASN 19 Cb -0.34 -2.49 0.78 0.00 -1.54 0.00 0.00 41.25 37.66 3it8 s ASN 19 CO 0.44 -0.79 1.76 -0.65 -3.04 0.00 0.00 177.10 174.82 3it8 h PRO 20 N 8.15 0.00 -0.00 0.43 0.11 -1.90 -3.06 132.00 135.73 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 0.98 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.71 3it8 n GLN 21 N -2.99 1.01 -3.08 1.05 -0.06 -1.26 -4.02 117.38 108.02 3it8 n GLN 21 Ca 0.03 -0.02 -0.27 0.00 -2.00 0.00 0.00 57.00 54.74 3it8 n GLN 21 Cb 0.43 -1.24 -0.05 0.00 -4.06 0.00 0.00 30.24 25.31 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 -0.73 4.48 -1.47 1.69 0.00 -1.16 -5.09 120.51 118.24 3it8 n ALA 22 Ca 0.12 -4.72 -0.39 0.00 0.00 0.00 0.00 53.44 48.45 3it8 n ALA 22 Cb 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 0.08 0.57 0.00 0.00 0.28 -1.26 -2.46 120.64 117.85 3it8 n GLU 23 Ca 0.31 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 3it8 n GLU 23 Cb 0.40 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.59 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 1.75 2.87 3.24 -1.84 0.00 -1.26 -4.97 105.19 104.98 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 1.32 -0.52 1.61 -2.07 -1.03 -4.39 119.66 114.59 3it8 s GLN 25 Ca 0.00 -1.71 0.00 0.00 -1.82 0.00 0.00 55.36 51.83 3it8 s GLN 25 Cb 0.00 0.16 0.13 0.00 -1.09 0.00 0.00 33.01 32.21 3it8 s GLN 25 CO 0.00 -0.40 0.29 -1.17 -1.32 0.00 0.00 175.29 172.69 3it8 s LEU 26 N -3.22 4.91 -0.18 2.60 2.96 -1.26 -4.90 118.68 119.58 3it8 s LEU 26 Ca 0.39 -2.66 -0.04 0.00 -0.22 0.00 0.00 54.13 51.60 3it8 s LEU 26 Cb 0.07 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3it8 s LEU 26 CO 0.14 -0.36 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.20 3it8 s GLN 27 N 0.22 3.61 0.05 1.98 0.74 -1.26 -5.01 119.66 119.98 3it8 s GLN 27 Ca 0.15 -0.54 -0.21 0.00 0.05 0.00 0.00 55.36 54.81 3it8 s GLN 27 Cb -0.22 -2.96 -0.06 0.00 1.10 0.00 0.00 33.01 30.86 3it8 s GLN 27 CO -0.03 0.11 0.61 -1.58 -0.55 0.00 0.00 175.29 173.85 3it8 s TRP 28 N 0.70 3.76 0.13 1.67 0.52 -1.26 -0.61 118.94 123.85 3it8 s TRP 28 Ca -0.02 1.28 0.05 0.00 0.02 0.00 0.00 56.10 57.43 3it8 s TRP 28 Cb -0.14 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.55 3it8 s TRP 28 CO 0.02 0.46 -0.11 -0.51 0.02 0.00 0.00 176.95 176.84 3it8 s LEU 29 N -0.66 2.49 0.00 2.99 1.02 0.38 -4.92 118.68 119.99 3it8 s LEU 29 Ca 0.31 -0.95 0.00 0.00 0.02 0.00 0.00 54.13 53.51 3it8 s LEU 29 Cb -0.19 -0.36 0.00 0.00 0.02 0.00 0.00 46.19 45.65 3it8 s LEU 29 CO 0.19 -0.29 0.31 -0.46 0.02 0.00 0.00 176.35 176.11 3it8 n ASN 30 N 0.04 0.61 -2.16 2.29 0.23 -1.26 -1.17 115.26 113.84 3it8 n ASN 30 Ca -0.12 -0.83 -0.19 0.00 -0.53 0.00 0.00 54.58 52.90 3it8 n ASN 30 Cb 0.60 0.25 -0.05 0.00 -2.08 0.00 0.00 39.78 38.50 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 -0.25 2.06 -4.42 -3.83 1.85 -1.26 -4.51 116.66 106.29 3it8 n ARG 31 Ca 0.00 -1.69 -0.22 0.00 -1.00 0.00 0.00 57.85 54.94 3it8 n ARG 31 Cb 0.02 -1.89 -0.09 0.00 -1.05 0.00 0.00 32.46 29.45 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 -1.05 1.73 0.00 2.89 1.81 -1.26 -5.10 118.95 117.97 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 -0.44 0.00 0.00 -0.45 0.00 0.00 34.95 34.37 3it8 s ARG 32 CO -0.10 -0.41 0.08 0.00 -0.68 0.00 0.00 175.30 174.19 3it8 n ALA 33 N -0.72 0.00 -2.77 2.13 0.00 -1.26 -3.01 120.51 114.88 3it8 n ALA 33 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 3it8 n ALA 33 Cb 0.65 0.04 -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 -0.27 6.16 -4.69 0.00 3.02 -1.26 -5.00 115.26 113.22 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 -0.91 -0.08 0.00 -0.61 0.00 0.00 39.78 38.17 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 -3.97 3.40 -0.00 5.41 0.00 -1.16 -5.02 121.76 120.42 3it8 s ALA 35 Ca 0.43 -2.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.18 3it8 s ALA 35 Cb 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3it8 s ALA 35 CO -0.13 -0.10 0.19 -0.51 0.00 0.00 0.00 175.76 175.21 3it8 s LEU 36 N -3.82 1.32 -0.45 0.00 1.43 0.15 -4.89 118.68 112.43 3it8 s LEU 36 Ca 0.38 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3it8 s LEU 36 Cb 0.04 0.87 0.19 0.00 0.03 0.00 0.00 46.19 47.32 3it8 s LEU 36 CO 0.21 -0.40 0.82 -0.22 0.23 0.00 0.00 176.35 177.00 3it8 s LEU 37 N -1.37 -1.10 0.27 1.79 2.96 -1.26 -0.47 118.68 119.50 3it8 s LEU 37 Ca -0.14 -1.13 0.02 0.00 -0.22 0.00 0.00 54.13 52.66 3it8 s LEU 37 Cb -0.07 1.44 -0.04 0.00 0.50 0.00 0.00 46.19 48.02 3it8 s LEU 37 CO 0.02 -0.06 0.16 0.00 -1.32 0.00 0.00 176.35 175.15 3it8 s ALA 38 N 1.14 1.71 -1.54 5.97 0.00 -0.56 -4.91 121.76 123.56 3it8 s ALA 38 Ca 0.25 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.28 3it8 s ALA 38 Cb 0.03 1.24 0.09 0.00 0.00 0.00 0.00 23.12 24.47 3it8 s ALA 38 CO -0.07 -0.54 0.94 0.09 0.00 0.00 0.00 175.76 176.18 3it8 n ASN 39 N -0.76 -4.38 0.00 0.00 3.02 -1.26 -2.56 115.26 109.31 3it8 n ASN 39 Ca 0.02 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3it8 n ASN 39 Cb 0.65 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 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 -1.66 2.45 3.77 7.41 0.00 -1.26 -4.19 105.19 111.71 3it8 n GLY 40 Ca 0.02 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.28 2.88 0.17 1.61 0.11 -1.20 -4.51 120.40 118.19 3it8 s VAL 41 Ca 0.00 0.87 0.10 0.00 -2.93 0.00 0.00 61.98 60.02 3it8 s VAL 41 Cb 0.00 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 3it8 s VAL 41 CO 0.00 0.20 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.17 3it8 s GLU 42 N -1.61 1.72 -0.42 1.54 2.02 -1.04 -4.52 118.70 116.39 3it8 s GLU 42 Ca 0.49 -1.38 -0.06 0.00 0.02 0.00 0.00 54.97 54.04 3it8 s GLU 42 Cb -0.38 -1.99 0.10 0.00 0.10 0.00 0.00 34.13 31.96 3it8 s GLU 42 CO 0.50 0.43 0.24 -1.17 0.02 0.00 0.00 175.26 175.27 3it8 s LEU 43 N -2.58 5.23 -0.08 1.80 2.96 -1.26 -0.16 118.68 124.59 3it8 s LEU 43 Ca 0.21 -1.80 0.03 0.00 -0.22 0.00 0.00 54.13 52.35 3it8 s LEU 43 Cb -0.09 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.70 3it8 s LEU 43 CO 0.11 -0.56 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.81 3it8 s ARG 44 N 1.28 2.35 -1.35 1.98 3.52 0.30 -4.74 118.95 122.29 3it8 s ARG 44 Ca 0.05 -0.64 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 3it8 s ARG 44 Cb -0.23 -1.84 0.08 0.00 -1.56 0.00 0.00 34.95 31.39 3it8 s ARG 44 CO -0.01 0.09 0.56 -0.25 -0.81 0.00 0.00 175.30 174.88 3it8 n ASP 45 N 3.70 -3.92 -0.98 -2.12 8.00 -1.26 -0.69 116.55 119.28 3it8 n ASP 45 Ca -0.21 -0.46 -0.10 0.00 0.71 0.00 0.00 54.79 54.73 3it8 n ASP 45 Cb 0.52 -3.23 -0.02 0.00 -0.02 0.00 0.00 41.12 38.37 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 -2.37 -3.75 -4.10 -2.24 5.15 -1.26 -5.02 115.26 101.67 3it8 n ASN 46 Ca -0.01 0.11 -0.15 0.00 -0.60 0.00 0.00 54.58 53.92 3it8 n ASN 46 Cb 0.54 -2.62 -0.12 0.00 -0.53 0.00 0.00 39.78 37.05 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 -3.77 0.65 0.08 1.20 -0.21 0.13 -4.75 119.66 112.99 3it8 s GLN 47 Ca 0.00 -0.78 -0.22 0.00 0.02 0.00 0.00 55.36 54.38 3it8 s GLN 47 Cb 0.00 -0.52 -0.07 0.00 1.00 0.00 0.00 33.01 33.42 3it8 s GLN 47 CO 0.00 0.11 0.65 -0.51 -2.12 0.00 0.00 175.29 173.43 3it8 s LEU 48 N -1.49 4.51 -0.19 2.90 1.43 -0.72 -0.54 118.68 124.58 3it8 s LEU 48 Ca -0.06 1.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 3it8 s LEU 48 Cb -0.09 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.10 3it8 s LEU 48 CO 0.01 0.19 -0.17 -0.69 0.23 0.00 0.00 176.35 175.91 3it8 s VAL 49 N -0.77 2.21 0.16 -1.59 1.01 0.77 -0.75 120.40 121.44 3it8 s VAL 49 Ca 0.32 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 3it8 s VAL 49 Cb -0.20 -1.97 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 3it8 s VAL 49 CO 0.21 0.48 1.35 -0.69 0.00 0.00 0.00 175.10 176.44 3it8 s VAL 50 N 1.29 3.26 -1.61 2.92 1.01 -0.67 -2.50 120.40 124.11 3it8 s VAL 50 Ca 0.04 0.97 0.26 0.00 0.00 0.00 0.00 61.98 63.25 3it8 s VAL 50 Cb -0.14 -3.62 0.21 0.00 0.00 0.00 0.00 36.38 32.83 3it8 s VAL 50 CO -0.11 0.11 1.52 -0.81 0.00 0.00 0.00 175.10 175.81 3it8 n PRO 51 N 3.26 0.68 -3.47 2.72 -0.04 -1.26 -0.72 135.00 136.17 3it8 n PRO 51 Ca 0.09 -0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.02 3it8 n PRO 51 Cb 0.43 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.60 -0.53 0.61 3.54 1.04 -1.26 -4.78 113.70 109.72 3it8 s SER 52 Ca 0.21 0.18 -0.19 0.00 0.48 0.00 0.00 55.95 56.64 3it8 s SER 52 Cb 0.19 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 3it8 s SER 52 CO 0.56 -0.77 1.09 -0.62 0.98 0.00 0.00 173.24 174.48 3it8 n GLU 53 N 0.00 1.02 0.00 4.02 -0.58 -1.26 -4.17 120.64 119.67 3it8 n GLU 53 Ca -0.15 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 3it8 n GLU 53 Cb 0.62 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 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 1.14 1.91 3.72 0.62 0.00 -0.70 -4.94 105.19 106.95 3it8 n GLY 54 Ca 0.14 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 0.02 0.99 1.02 -1.26 -0.51 118.68 123.22 3it8 s LEU 55 Ca 0.00 0.93 0.04 0.00 0.02 0.00 0.00 54.13 55.13 3it8 s LEU 55 Cb 0.00 -2.82 -0.02 0.00 0.02 0.00 0.00 46.19 43.37 3it8 s LEU 55 CO 0.00 -0.05 -0.13 -0.31 0.02 0.00 0.00 176.35 175.88 3it8 s TYR 56 N 0.74 1.18 -0.25 0.29 1.51 0.48 -1.39 117.35 119.91 3it8 s TYR 56 Ca 0.30 -0.30 -0.15 0.00 -1.01 0.00 0.00 57.07 55.90 3it8 s TYR 56 Cb -0.16 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 3it8 s TYR 56 CO 0.13 0.01 0.39 -1.17 -1.11 0.00 0.00 175.55 173.80 3it8 s LEU 57 N -0.84 4.08 -0.04 -1.29 2.96 -0.19 -0.66 118.68 122.70 3it8 s LEU 57 Ca 0.03 0.38 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 3it8 s LEU 57 Cb -0.07 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 3it8 s LEU 57 CO 0.01 -0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.05 3it8 s ILE 58 N 1.82 2.48 0.15 6.68 1.01 -0.29 -1.44 121.20 131.61 3it8 s ILE 58 Ca 0.17 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 3it8 s ILE 58 Cb -0.15 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.44 3it8 s ILE 58 CO 0.09 0.58 0.49 -0.72 0.00 0.00 0.00 174.94 175.38 3it8 s TYR 59 N -0.54 -0.28 -0.12 3.97 -0.85 -0.38 -1.46 117.35 117.69 3it8 s TYR 59 Ca 0.07 -0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.30 3it8 s TYR 59 Cb -0.11 0.38 0.11 0.00 0.38 0.00 0.00 41.96 42.71 3it8 s TYR 59 CO 0.01 -0.80 0.90 0.45 -1.52 0.00 0.00 175.55 174.59 3it8 s SER 60 N -2.81 -0.45 -0.02 -0.18 0.15 -0.24 -0.96 113.70 109.19 3it8 s SER 60 Ca 0.04 0.46 -0.01 0.00 0.70 0.00 0.00 55.95 57.13 3it8 s SER 60 Cb 0.00 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 3it8 s SER 60 CO -0.10 -0.44 0.05 -1.58 1.20 0.00 0.00 173.24 172.37 3it8 s GLN 61 N -1.30 0.03 0.10 5.44 0.74 0.14 -1.11 119.66 123.71 3it8 s GLN 61 Ca -0.04 0.14 0.07 0.00 0.05 0.00 0.00 55.36 55.59 3it8 s GLN 61 Cb -0.00 -0.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.99 3it8 s GLN 61 CO 0.03 -0.08 -0.19 0.14 -0.55 0.00 0.00 175.29 174.65 3it8 s VAL 62 N 0.50 1.56 -0.18 1.34 -7.23 -1.00 -1.13 120.40 114.25 3it8 s VAL 62 Ca -0.04 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 3it8 s VAL 62 Cb -0.06 -1.47 0.04 0.00 0.56 0.00 0.00 36.38 35.45 3it8 s VAL 62 CO -0.02 -0.15 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.29 3it8 s LEU 63 N -1.98 2.12 0.06 1.32 0.20 -1.22 -1.76 118.68 117.43 3it8 s LEU 63 Ca 0.05 -0.77 -0.07 0.00 0.69 0.00 0.00 54.13 54.03 3it8 s LEU 63 Cb -0.09 -1.23 -0.05 0.00 -0.43 0.00 0.00 46.19 44.38 3it8 s LEU 63 CO 0.04 -0.11 0.34 -0.36 -0.29 0.00 0.00 176.35 175.96 3it8 s PHE 64 N 1.41 3.56 -0.06 5.38 0.40 -0.02 -0.50 117.98 128.16 3it8 s PHE 64 Ca 0.01 0.65 -0.05 0.00 -0.60 0.00 0.00 56.93 56.93 3it8 s PHE 64 Cb -0.15 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.35 3it8 s PHE 64 CO -0.09 0.54 0.17 0.21 0.70 0.00 0.00 175.22 176.75 3it8 s LYS 65 N -2.01 0.18 -0.03 0.44 2.20 0.60 -0.81 119.74 120.31 3it8 s LYS 65 Ca 0.32 0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 56.15 3it8 s LYS 65 Cb -0.13 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.24 3it8 s LYS 65 CO 0.19 -0.05 0.13 0.20 -0.36 0.00 0.00 175.35 175.45 3it8 s GLY 66 N 0.30 -0.04 -0.22 5.54 0.00 -0.50 -4.62 107.32 107.79 3it8 s GLY 66 Ca -0.02 0.17 -0.21 0.00 0.00 0.00 0.00 44.72 44.66 3it8 s GLY 66 CO -0.01 0.09 0.66 1.20 0.00 0.00 0.00 173.10 175.04 3it8 s GLN 67 N -0.46 4.19 1.54 2.90 -1.52 -1.26 -0.52 119.66 124.53 3it8 s GLN 67 Ca -0.05 0.65 0.00 0.00 -1.95 0.00 0.00 55.36 54.01 3it8 s GLN 67 Cb -0.04 -3.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.15 3it8 s GLN 67 CO 0.01 -0.32 0.00 0.41 -0.25 0.00 0.00 175.29 175.14 3it8 n GLY 68 N 3.88 -0.25 3.47 3.09 0.00 -0.65 -4.79 105.19 109.93 3it8 n GLY 68 Ca -0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 2.13 2.48 -3.18 0.00 -0.02 -1.26 -4.09 135.00 131.07 3it8 n PRO 70 Ca -0.17 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.11 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 -1.36 5.09 0.00 2.55 0.15 -1.26 -4.47 113.70 114.40 3it8 s SER 71 Ca 0.00 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.79 3it8 s SER 71 Cb 0.00 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 3it8 s SER 71 CO 0.00 -1.22 0.00 0.41 1.20 0.00 0.00 173.24 173.63 3it8 n THR 72 N -2.11 0.00 -3.74 6.45 -1.04 -1.26 -4.39 114.28 108.19 3it8 n THR 72 Ca 0.12 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.00 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 -3.92 115.29 110.62 3it8 s HIS 73 Ca 0.00 1.04 0.03 0.00 0.47 0.00 0.00 55.06 56.59 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 -0.18 0.08 -2.47 0.00 0.00 174.74 171.96 3it8 s VAL 74 N 0.30 2.62 -0.10 0.89 1.01 -1.26 -5.09 120.40 118.77 3it8 s VAL 74 Ca -0.01 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3it8 s VAL 74 Cb -0.03 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3it8 s VAL 74 CO -0.00 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.78 3it8 s LEU 75 N 0.06 2.90 -0.16 3.92 1.43 -1.26 -4.07 118.68 121.50 3it8 s LEU 75 Ca -0.08 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3it8 s LEU 75 Cb -0.15 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 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 -0.23 2.84 0.00 1.79 1.43 -0.14 -4.81 118.68 119.57 3it8 s LEU 76 Ca 0.02 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3it8 s LEU 76 Cb -0.13 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3it8 s LEU 76 CO 0.03 0.11 -0.16 0.42 0.23 0.00 0.00 176.35 176.98 3it8 s THR 77 N 0.67 1.30 -0.04 5.49 -4.23 -1.26 -0.43 115.64 117.14 3it8 s THR 77 Ca -0.05 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 3it8 s THR 77 Cb -0.15 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.59 3it8 s THR 77 CO 0.02 0.28 -0.13 -2.28 -0.54 0.00 0.00 174.62 171.98 3it8 s HIS 78 N -0.51 1.33 -0.22 3.99 2.46 -0.83 -2.85 115.29 118.66 3it8 s HIS 78 Ca 0.06 -0.38 -0.20 0.00 0.47 0.00 0.00 55.06 55.00 3it8 s HIS 78 Cb -0.07 -0.93 0.06 0.00 -0.13 0.00 0.00 32.58 31.51 3it8 s HIS 78 CO -0.00 -0.16 0.59 -0.08 -2.47 0.00 0.00 174.74 172.63 3it8 s THR 79 N 0.23 -0.00 -0.23 0.89 -1.32 -0.69 -1.40 115.64 113.13 3it8 s THR 79 Ca -0.06 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.36 3it8 s THR 79 Cb -0.11 -0.83 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 3it8 s THR 79 CO 0.02 0.00 0.06 -0.63 -2.21 0.00 0.00 174.62 171.86 3it8 s ILE 80 N 0.45 4.35 0.18 5.08 1.01 0.57 -1.71 121.20 131.13 3it8 s ILE 80 Ca -0.01 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.54 3it8 s ILE 80 Cb -0.04 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3it8 s ILE 80 CO -0.01 0.37 0.03 -0.44 0.00 0.00 0.00 174.94 174.89 3it8 s SER 81 N 1.31 4.92 -0.07 3.58 0.01 0.32 -0.82 113.70 122.94 3it8 s SER 81 Ca 0.05 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.01 3it8 s SER 81 Cb -0.15 -1.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.98 3it8 s SER 81 CO 0.03 0.08 -0.24 -0.60 0.41 0.00 0.00 173.24 172.92 3it8 s ARG 82 N -3.03 2.67 -0.33 12.44 3.52 -0.21 -1.18 118.95 132.83 3it8 s ARG 82 Ca 0.28 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 3it8 s ARG 82 Cb -0.09 -2.17 0.10 0.00 -1.56 0.00 0.00 34.95 31.23 3it8 s ARG 82 CO 0.20 0.30 0.04 0.96 -0.81 0.00 0.00 175.30 175.98 3it8 s ILE 83 N 0.04 2.12 0.53 4.11 -5.25 -0.33 -1.46 121.20 120.96 3it8 s ILE 83 Ca -0.09 -2.18 -0.19 0.00 -0.99 0.00 0.00 60.65 57.20 3it8 s ILE 83 Cb -0.15 -2.54 -0.06 0.00 2.95 0.00 0.00 42.46 42.65 3it8 s ILE 83 CO 0.06 -0.55 1.07 0.00 -1.79 0.00 0.00 174.94 173.73 3it8 s ALA 84 N 0.99 2.77 0.37 2.27 0.00 -1.23 -1.76 121.76 125.17 3it8 s ALA 84 Ca 0.09 0.64 0.08 0.00 0.00 0.00 0.00 51.96 52.77 3it8 s ALA 84 Cb -0.19 -3.29 0.72 0.00 0.00 0.00 0.00 23.12 20.36 3it8 s ALA 84 CO -0.09 -0.59 1.89 0.28 0.00 0.00 0.00 175.76 177.24 3it8 h VAL 85 N 1.17 1.19 -0.36 0.00 2.07 -1.88 -2.19 116.25 116.26 3it8 h VAL 85 Ca -0.49 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3it8 h VAL 85 Cb 1.23 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3it8 h VAL 85 CO 0.58 0.27 0.00 -1.20 0.02 0.00 0.00 177.57 177.23 3it8 n SER 86 N -4.25 2.29 -2.72 0.57 7.64 -1.26 -4.54 113.62 111.34 3it8 n SER 86 Ca -0.00 -1.91 -0.06 0.00 1.01 0.00 0.00 58.87 57.91 3it8 n SER 86 Cb 0.28 -0.23 0.05 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.74 -2.33 -0.76 1.43 -0.00 -0.85 -5.08 117.16 110.30 3it8 n TYR 87 Ca 0.16 -1.25 -0.27 0.00 -0.00 0.00 0.00 57.90 56.54 3it8 n TYR 87 Cb 0.39 1.36 -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 1.97 0.01 -3.67 2.98 3.00 -1.03 -3.57 117.38 117.06 3it8 n GLN 88 Ca 0.09 -0.73 -0.13 0.00 -0.01 0.00 0.00 57.00 56.22 3it8 n GLN 88 Cb 0.64 -2.14 -0.08 0.00 0.00 0.00 0.00 30.24 28.66 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 6.50 -0.00 0.08 5.09 2.01 -1.26 -4.99 115.64 123.07 3it8 s THR 89 Ca 0.47 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.17 3it8 s THR 89 Cb 0.08 -0.83 -0.09 0.00 0.01 0.00 0.00 72.50 71.67 3it8 s THR 89 CO 0.22 0.00 1.74 -0.54 -0.69 0.00 0.00 174.62 175.36 3it8 s LYS 90 N 0.55 4.17 -0.06 4.92 1.02 -1.26 -4.29 119.74 124.78 3it8 s LYS 90 Ca -0.02 2.45 0.02 0.00 0.02 0.00 0.00 55.97 58.44 3it8 s LYS 90 Cb -0.05 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.63 3it8 s LYS 90 CO -0.03 -0.80 -0.13 0.14 -0.92 0.00 0.00 175.35 173.62 3it8 s VAL 91 N 2.84 1.16 0.10 3.17 -7.23 -0.54 -4.94 120.40 114.96 3it8 s VAL 91 Ca 0.78 -0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 60.14 3it8 s VAL 91 Cb -0.42 -1.05 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 3it8 s VAL 91 CO 0.34 0.36 1.29 0.20 -0.31 0.00 0.00 175.10 176.98 3it8 s ASN 92 N 0.62 6.95 -0.26 4.85 0.01 -1.26 -1.05 114.94 124.80 3it8 s ASN 92 Ca -0.14 2.20 -0.04 0.00 -0.71 0.00 0.00 52.86 54.17 3it8 s ASN 92 Cb -0.16 -2.59 -0.15 0.00 0.41 0.00 0.00 41.25 38.77 3it8 s ASN 92 CO 0.04 -0.55 -0.27 0.18 -1.51 0.00 0.00 177.10 174.99 3it8 n LEU 93 N 3.74 2.60 -3.89 0.60 4.77 0.00 -4.93 117.00 119.89 3it8 n LEU 93 Ca 0.10 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3it8 n LEU 93 Cb 0.44 -0.85 -0.14 0.00 -2.33 0.00 0.00 43.42 40.54 3it8 n LEU 93 CO 0.57 0.80 -0.37 -0.76 -1.33 0.00 0.00 177.39 176.30 3it8 s LEU 94 N -6.83 1.97 -0.16 2.23 1.43 -1.11 -5.01 118.68 111.20 3it8 s LEU 94 Ca -0.35 -0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.44 3it8 s LEU 94 Cb 0.11 -0.08 0.07 0.00 0.03 0.00 0.00 46.19 46.32 3it8 s LEU 94 CO 0.54 0.01 0.73 -0.55 0.23 0.00 0.00 176.35 177.32 3it8 s SER 95 N 0.01 -0.68 0.06 2.29 0.15 -1.26 -0.31 113.70 113.96 3it8 s SER 95 Ca 0.00 1.04 -0.07 0.00 0.70 0.00 0.00 55.95 57.63 3it8 s SER 95 Cb -0.01 0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 65.26 3it8 s SER 95 CO -0.00 -0.41 0.14 0.00 1.20 0.00 0.00 173.24 174.16 3it8 s ALA 96 N -0.41 -0.12 0.05 5.45 0.00 -0.49 -5.02 121.76 121.23 3it8 s ALA 96 Ca -0.05 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 51.34 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 -0.41 -0.13 0.42 0.00 0.00 0.00 175.76 175.68 3it8 s ILE 97 N -3.29 1.02 -0.08 0.00 1.01 -1.26 -1.96 121.20 116.64 3it8 s ILE 97 Ca 0.01 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.54 3it8 s ILE 97 Cb 0.03 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.57 3it8 s ILE 97 CO -0.08 -0.10 0.19 -0.75 0.00 0.00 0.00 174.94 174.21 3it8 s LYS 98 N -1.31 0.19 -0.55 2.79 2.20 0.43 -4.99 119.74 118.49 3it8 s LYS 98 Ca -0.01 0.35 -0.08 0.00 -0.36 0.00 0.00 55.97 55.87 3it8 s LYS 98 Cb -0.08 -0.01 0.14 0.00 -1.51 0.00 0.00 37.83 36.37 3it8 s LYS 98 CO 0.01 -0.09 0.41 -1.54 -0.36 0.00 0.00 175.35 173.79 3it8 s SER 99 N 0.60 5.70 0.00 1.43 1.04 -1.26 -0.97 113.70 120.24 3it8 s SER 99 Ca -0.04 -2.26 0.00 0.00 0.48 0.00 0.00 55.95 54.13 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 -0.59 0.55 -0.81 0.98 0.00 0.00 173.24 173.34 3it8 n PRO 100 N 4.40 0.00 -2.59 4.02 -0.04 -1.26 -4.53 135.00 135.01 3it8 n PRO 100 Ca -0.01 0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 3it8 n PRO 100 Cb 0.41 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.26 -0.83 0.00 6.02 -1.26 -4.29 117.38 126.26 3it8 n GLN 102 Ca 0.11 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 3it8 n GLN 102 Cb 0.49 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 1.90 0.00 -0.34 -1.09 3.00 -1.25 -4.89 116.66 113.99 3it8 n ARG 103 Ca 0.14 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.06 3it8 n ARG 103 Cb 0.60 -3.16 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 2.00 0.01 -3.74 -0.14 9.09 -1.87 -3.47 114.58 116.45 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 0.00 -0.40 0.25 0.05 0.00 0.00 179.01 178.91 3it8 n THR 105 N -5.56 -5.69 -1.32 -1.06 -2.24 -1.26 -4.60 114.28 92.54 3it8 n THR 105 Ca 0.17 1.43 -0.58 0.00 -2.27 0.00 0.00 64.05 62.79 3it8 n THR 105 Cb 0.54 -2.77 -0.11 0.00 -2.10 0.00 0.00 70.33 65.89 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 0.26 -0.33 -0.78 -0.02 -1.26 -4.80 135.00 129.82 3it8 n PRO 106 Ca 0.00 0.07 0.22 0.00 -2.02 0.00 0.00 63.50 61.77 3it8 n PRO 106 Cb 0.00 -1.73 0.45 0.00 -0.02 0.00 0.00 33.50 32.20 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 9.61 0.35 0.00 -0.52 4.22 -1.97 -3.43 114.58 122.83 3it8 h GLU 107 Ca -0.16 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.26 3it8 h GLU 107 Cb 1.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3it8 h GLU 107 CO 1.07 0.23 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 -5.12 105.19 102.45 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 0.71 0.00 4.61 0.00 -1.26 -5.06 121.76 120.76 3it8 s ALA 109 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3it8 s ALA 109 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3it8 s ALA 109 CO 0.00 -0.68 0.00 0.39 0.00 0.00 0.00 175.76 175.47 3it8 n GLU 110 N 5.15 0.00 -0.95 0.00 -0.58 -1.26 -5.03 120.64 117.97 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 2.39 -1.90 -0.98 0.62 0.00 -1.26 -4.97 120.51 114.41 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 -0.89 0.06 0.51 0.00 3.01 -1.26 -3.42 119.74 117.76 3it8 s LYS 112 Ca 0.00 0.64 -0.10 0.00 -1.01 0.00 0.00 55.97 55.50 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 -3.01 0.89 -1.25 0.51 0.00 0.00 175.35 172.49 3it8 s PRO 113 N -4.81 3.67 0.03 -1.68 0.04 -1.26 -1.64 135.00 129.35 3it8 s PRO 113 Ca 0.66 0.54 0.05 0.00 0.04 0.00 0.00 61.00 62.29 3it8 s PRO 113 Cb -0.20 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 3it8 s PRO 113 CO 0.60 -0.29 -0.15 1.67 0.04 0.00 0.00 177.00 178.87 3it8 s TRP 114 N -2.78 1.28 -0.04 0.56 1.48 0.32 -4.88 118.94 114.89 3it8 s TRP 114 Ca 0.52 -0.34 0.06 0.00 -1.06 0.00 0.00 56.10 55.28 3it8 s TRP 114 Cb -0.10 -0.77 -0.01 0.00 -1.16 0.00 0.00 33.47 31.42 3it8 s TRP 114 CO 0.43 0.03 -0.22 0.71 -4.06 0.00 0.00 176.95 173.84 3it8 s TYR 115 N -0.79 2.08 -0.21 1.66 1.51 -1.26 -1.41 117.35 118.93 3it8 s TYR 115 Ca 0.03 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.53 3it8 s TYR 115 Cb -0.08 -1.36 0.09 0.00 -0.11 0.00 0.00 41.96 40.50 3it8 s TYR 115 CO 0.01 -0.12 0.20 -2.00 -1.11 0.00 0.00 175.55 172.53 3it8 s GLU 116 N -0.29 0.18 0.28 -0.62 2.56 0.01 -5.00 118.70 115.82 3it8 s GLU 116 Ca 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.97 55.07 3it8 s GLU 116 Cb -0.11 -1.27 -0.04 0.00 2.00 0.00 0.00 34.13 34.71 3it8 s GLU 116 CO 0.01 -0.71 0.49 -1.25 -0.56 0.00 0.00 175.26 173.25 3it8 s PRO 117 N 2.29 3.54 -0.05 4.30 0.04 -1.26 -0.84 135.00 143.01 3it8 s PRO 117 Ca 0.06 -0.24 -0.02 0.00 0.04 0.00 0.00 61.00 60.84 3it8 s PRO 117 Cb -0.16 -2.73 0.04 0.00 0.04 0.00 0.00 34.50 31.69 3it8 s PRO 117 CO -0.14 0.26 0.10 0.42 0.04 0.00 0.00 177.00 177.68 3it8 s ILE 118 N -2.08 -0.10 0.00 0.56 1.01 -0.72 -4.98 121.20 114.89 3it8 s ILE 118 Ca 0.40 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.35 3it8 s ILE 118 Cb -0.10 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 3it8 s ILE 118 CO 0.31 0.11 -0.11 -0.47 0.00 0.00 0.00 174.94 174.78 3it8 s TYR 119 N 1.49 2.78 -0.01 3.97 5.04 -1.26 -2.37 117.35 126.99 3it8 s TYR 119 Ca -0.05 -0.11 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 3it8 s TYR 119 Cb -0.12 -1.58 -0.00 0.00 0.35 0.00 0.00 41.96 40.61 3it8 s TYR 119 CO -0.05 0.31 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.93 3it8 s LEU 120 N -1.30 1.94 -0.27 6.97 1.02 -0.26 -4.99 118.68 121.79 3it8 s LEU 120 Ca 0.15 -0.06 -0.26 0.00 0.02 0.00 0.00 54.13 53.98 3it8 s LEU 120 Cb -0.11 -0.19 0.17 0.00 0.02 0.00 0.00 46.19 46.07 3it8 s LEU 120 CO 0.06 0.03 1.27 -0.83 0.02 0.00 0.00 176.35 176.90 3it8 s GLY 121 N 0.01 0.10 -0.01 -3.19 0.00 -1.26 -1.08 107.32 101.90 3it8 s GLY 121 Ca 0.00 3.00 -0.30 0.00 0.00 0.00 0.00 44.72 47.43 3it8 s GLY 121 CO -0.00 1.65 1.27 -0.32 0.00 0.00 0.00 173.10 175.70 3it8 s GLY 122 N -0.25 -0.38 -0.13 0.20 0.00 -0.54 -5.01 107.32 101.21 3it8 s GLY 122 Ca 0.05 0.61 -0.05 0.00 0.00 0.00 0.00 44.72 45.33 3it8 s GLY 122 CO -0.10 0.50 0.06 0.14 0.00 0.00 0.00 173.10 173.71 3it8 s VAL 123 N -2.43 4.82 0.02 1.40 1.01 -1.26 -1.14 120.40 122.82 3it8 s VAL 123 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3it8 s VAL 123 Cb 0.04 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3it8 s VAL 123 CO -0.03 0.55 -0.01 -0.36 0.00 0.00 0.00 175.10 175.25 3it8 s PHE 124 N -0.44 0.25 -0.21 5.22 0.40 0.17 -4.94 117.98 118.42 3it8 s PHE 124 Ca 0.10 -0.51 -0.24 0.00 -0.60 0.00 0.00 56.93 55.68 3it8 s PHE 124 Cb -0.12 -0.18 -0.01 0.00 0.51 0.00 0.00 43.02 43.21 3it8 s PHE 124 CO 0.02 -0.22 0.77 -1.14 0.70 0.00 0.00 175.22 175.35 3it8 s GLN 125 N -1.61 4.22 0.12 0.44 -0.44 -1.26 -0.39 119.66 120.73 3it8 s GLN 125 Ca -0.14 0.86 0.09 0.00 -2.50 0.00 0.00 55.36 53.67 3it8 s GLN 125 Cb -0.09 -3.61 -0.04 0.00 -1.64 0.00 0.00 33.01 27.64 3it8 s GLN 125 CO -0.01 -0.39 -0.21 -0.51 0.50 0.00 0.00 175.29 174.66 3it8 s LEU 126 N 2.39 2.32 0.13 3.68 1.02 0.33 -4.99 118.68 123.56 3it8 s LEU 126 Ca 0.34 -0.72 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 3it8 s LEU 126 Cb -0.16 -0.93 -0.04 0.00 0.02 0.00 0.00 46.19 45.08 3it8 s LEU 126 CO 0.10 0.06 0.31 -1.61 0.02 0.00 0.00 176.35 175.23 3it8 s GLU 127 N -2.06 3.51 0.14 1.70 2.02 -1.26 -1.71 118.70 121.03 3it8 s GLU 127 Ca 0.09 -0.34 -0.31 0.00 0.02 0.00 0.00 54.97 54.43 3it8 s GLU 127 Cb -0.09 -2.93 -0.10 0.00 0.10 0.00 0.00 34.13 31.10 3it8 s GLU 127 CO 0.05 0.51 1.78 0.21 0.02 0.00 0.00 175.26 177.83 3it8 s LYS 128 N -2.83 4.14 0.00 1.61 2.20 -1.26 -1.63 119.74 121.97 3it8 s LYS 128 Ca 0.37 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 3it8 s LYS 128 Cb -0.12 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3it8 s LYS 128 CO 0.27 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 3it8 n GLY 129 N 4.14 0.74 3.75 5.54 0.00 0.10 -4.84 105.19 114.62 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 -1.89 5.22 -0.15 1.61 1.01 -0.65 -4.60 116.67 117.23 3it8 s ASP 130 Ca 0.00 2.62 -0.01 0.00 0.71 0.00 0.00 52.55 55.87 3it8 s ASP 130 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 3it8 s ASP 130 CO 0.00 -1.59 -0.11 -0.13 0.21 0.00 0.00 175.17 173.55 3it8 s ARG 131 N -3.05 3.38 -0.10 8.23 0.52 -0.72 -1.68 118.95 125.53 3it8 s ARG 131 Ca 0.74 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 55.27 3it8 s ARG 131 Cb -0.37 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 3it8 s ARG 131 CO 0.42 0.10 -0.05 -0.51 0.02 0.00 0.00 175.30 175.29 3it8 s LEU 132 N 0.65 3.26 -0.02 2.53 1.43 0.07 -1.19 118.68 125.42 3it8 s LEU 132 Ca -0.06 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 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 -0.40 2.57 -0.36 2.29 0.01 -0.33 -1.76 113.70 115.73 3it8 s SER 133 Ca 0.06 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.95 3it8 s SER 133 Cb -0.12 -0.29 0.10 0.00 0.21 0.00 0.00 66.02 65.92 3it8 s SER 133 CO 0.02 0.27 0.09 0.00 0.41 0.00 0.00 173.24 174.03 3it8 s ALA 134 N -0.51 2.53 0.32 1.44 0.00 -1.26 -0.52 121.76 123.76 3it8 s ALA 134 Ca 0.08 -2.38 0.10 0.00 0.00 0.00 0.00 51.96 49.76 3it8 s ALA 134 Cb -0.08 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 3it8 s ALA 134 CO -0.01 -1.74 -0.11 -1.21 0.00 0.00 0.00 175.76 172.69 3it8 s GLU 135 N 0.94 1.83 0.18 0.00 2.02 -0.69 -4.97 118.70 118.00 3it8 s GLU 135 Ca 0.12 -1.82 0.03 0.00 0.02 0.00 0.00 54.97 53.31 3it8 s GLU 135 Cb -0.20 -1.78 -0.05 0.00 0.10 0.00 0.00 34.13 32.20 3it8 s GLU 135 CO -0.11 0.22 -0.03 0.96 0.02 0.00 0.00 175.26 176.31 3it8 s ILE 136 N -2.54 0.92 -0.12 -1.63 -4.36 -1.26 -1.70 121.20 110.50 3it8 s ILE 136 Ca 0.32 -2.02 0.18 0.00 -0.26 0.00 0.00 60.65 58.87 3it8 s ILE 136 Cb -0.01 -2.07 -0.22 0.00 1.25 0.00 0.00 42.46 41.41 3it8 s ILE 136 CO 0.17 -0.54 0.50 -0.46 0.24 0.00 0.00 174.94 174.85 3it8 n ASN 137 N -0.26 0.43 -3.34 4.36 6.94 -1.13 -4.65 115.26 117.61 3it8 n ASN 137 Ca -0.08 0.19 -0.27 0.00 -0.02 0.00 0.00 54.58 54.41 3it8 n ASN 137 Cb 0.62 0.74 -0.07 0.00 -2.36 0.00 0.00 39.78 38.71 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 -2.75 2.61 0.11 -3.83 5.12 -1.26 -4.90 116.66 111.76 3it8 n ARG 138 Ca -0.17 -4.67 0.07 0.00 -1.93 0.00 0.00 57.85 51.14 3it8 n ARG 138 Cb 0.91 -2.23 0.35 0.00 -1.16 0.00 0.00 32.46 30.33 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 0.68 0.08 0.05 5.56 -0.04 -1.26 -0.88 135.00 139.19 3it8 n PRO 139 Ca 0.30 0.56 0.12 0.00 -0.04 0.00 0.00 63.50 64.44 3it8 n PRO 139 Cb 0.41 -1.84 0.47 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.95 0.31 -0.82 3.54 5.68 -1.26 -2.52 116.55 119.53 3it8 n ASP 140 Ca -0.01 0.55 0.08 0.00 -0.50 0.00 0.00 54.79 54.91 3it8 n ASP 140 Cb 0.08 -0.62 0.17 0.00 -1.14 0.00 0.00 41.12 39.61 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 -1.81 0.45 -1.96 2.11 0.53 -0.06 -4.98 117.16 111.45 3it8 n TYR 141 Ca 0.05 -0.35 -0.43 0.00 -1.02 0.00 0.00 57.90 56.15 3it8 n TYR 141 Cb 0.30 -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 -1.17 -1.02 0.00 0.00 176.86 174.67 3it8 s LEU 142 N -1.09 4.04 -0.62 7.72 0.20 -1.05 -0.29 118.68 127.59 3it8 s LEU 142 Ca 0.28 1.97 -0.16 0.00 0.69 0.00 0.00 54.13 56.92 3it8 s LEU 142 Cb 0.16 -3.53 0.15 0.00 -0.43 0.00 0.00 46.19 42.54 3it8 s LEU 142 CO 0.21 -1.22 0.59 -0.22 -0.29 0.00 0.00 176.35 175.42 3it8 s LEU 143 N 5.14 6.30 -0.31 -0.68 2.96 0.35 -4.85 118.68 127.58 3it8 s LEU 143 Ca 0.78 -2.02 0.07 0.00 -0.22 0.00 0.00 54.13 52.74 3it8 s LEU 143 Cb -0.31 -2.22 0.46 0.00 0.50 0.00 0.00 46.19 44.62 3it8 s LEU 143 CO 0.32 -0.80 1.27 2.22 -1.32 0.00 0.00 176.35 178.04 3it8 n PHE 144 N 4.96 2.49 0.06 5.38 -0.00 -1.26 -4.61 117.46 124.49 3it8 n PHE 144 Ca -0.06 -2.20 -0.20 0.00 -0.00 0.00 0.00 57.45 54.98 3it8 n PHE 144 Cb 0.42 -0.43 -0.14 0.00 -0.00 0.00 0.00 39.48 39.34 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 2.03 -0.05 -3.00 1.98 0.00 -1.98 -3.43 119.26 114.82 3it8 h ALA 145 Ca 0.35 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3it8 h ALA 145 Cb 1.44 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3it8 h ALA 145 CO 0.75 0.45 0.00 -1.91 0.00 0.00 0.00 179.25 178.54 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 -0.62 0.00 0.00 0.00 0.00 0.00 31.44 31.66 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 -0.41 0.00 -1.78 4.31 2.88 -1.26 -4.97 113.62 112.39 3it8 n SER 147 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 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 3.74 0.07 0.46 0.00 -1.26 -4.16 105.19 104.04 3it8 n GLY 148 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 0.35 0.64 -3.71 1.61 6.02 -1.26 -4.85 117.38 116.18 3it8 n GLN 149 Ca 0.26 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 57.01 3it8 n GLN 149 Cb 0.66 -1.68 -0.17 0.00 1.02 0.00 0.00 30.24 30.07 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 -3.26 0.25 0.18 5.09 1.01 -1.26 -3.37 120.40 119.04 3it8 s VAL 150 Ca -0.05 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3it8 s VAL 150 Cb 0.11 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 3it8 s VAL 150 CO 0.84 -0.02 0.33 -0.72 0.00 0.00 0.00 175.10 175.53 3it8 s TYR 151 N 2.00 0.33 -0.18 5.22 1.13 -0.28 -2.42 117.35 123.15 3it8 s TYR 151 Ca 0.02 -0.69 -0.10 0.00 -1.41 0.00 0.00 57.07 54.89 3it8 s TYR 151 Cb -0.15 0.02 0.06 0.00 -1.10 0.00 0.00 41.96 40.80 3it8 s TYR 151 CO -0.07 -0.77 0.44 0.12 -2.51 0.00 0.00 175.55 172.77 3it8 s PHE 152 N -3.96 -0.67 0.24 -3.49 5.36 -0.30 -0.68 117.98 114.47 3it8 s PHE 152 Ca 0.17 1.41 -0.17 0.00 -0.96 0.00 0.00 56.93 57.37 3it8 s PHE 152 Cb 0.02 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 3it8 s PHE 152 CO 0.00 -0.38 0.58 0.20 -1.46 0.00 0.00 175.22 174.16 3it8 s GLY 153 N 1.51 0.10 -0.04 13.12 0.00 -0.14 0.05 107.32 121.93 3it8 s GLY 153 Ca -0.09 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.00 3it8 s GLY 153 CO -0.14 -0.32 0.39 -0.26 0.00 0.00 0.00 173.10 172.78 3it8 s ILE 154 N -3.93 0.04 -0.01 0.90 -4.36 0.49 -1.25 121.20 113.07 3it8 s ILE 154 Ca 0.14 -0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.21 3it8 s ILE 154 Cb -0.03 -0.67 0.01 0.00 1.25 0.00 0.00 42.46 43.02 3it8 s ILE 154 CO 0.04 -0.18 0.01 -0.51 0.24 0.00 0.00 174.94 174.54 3it8 s ILE 155 N -1.06 0.00 -0.28 8.37 1.10 -0.52 -0.81 121.20 128.00 3it8 s ILE 155 Ca -0.11 0.08 -0.28 0.00 -0.51 0.00 0.00 60.65 59.83 3it8 s ILE 155 Cb -0.04 -0.07 0.01 0.00 0.15 0.00 0.00 42.46 42.52 3it8 s ILE 155 CO 0.05 0.05 1.00 0.00 -2.11 0.00 0.00 174.94 173.93 3it8 s ALA 156 N 0.47 3.58 -2.51 1.50 0.00 -0.67 -1.02 121.76 123.12 3it8 s ALA 156 Ca -0.04 -0.03 0.28 0.00 0.00 0.00 0.00 51.96 52.17 3it8 s ALA 156 Cb -0.06 -3.55 1.04 0.00 0.00 0.00 0.00 23.12 20.55 3it8 s ALA 156 CO -0.01 -1.24 1.74 1.28 0.00 0.00 0.00 175.76 177.52