#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tun n PRO 8 N 0.00 0.00 -1.74 -0.78 -0.02 -1.26 -5.02 135.00 126.18 2tun n PRO 8 Ca 0.00 0.44 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 2tun n PRO 8 Cb 0.00 -1.25 0.02 0.00 -0.02 0.00 0.00 33.50 32.25 2tun n PRO 8 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2tun n SER 9 N -1.54 2.95 -0.30 2.55 2.88 -1.26 -4.91 113.62 113.98 2tun n SER 9 Ca 0.00 1.09 0.15 0.00 -1.33 0.00 0.00 58.87 58.77 2tun n SER 9 Cb 0.00 -1.56 0.68 0.00 -0.75 0.00 0.00 64.21 62.58 2tun n SER 9 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2tun n ASP 10 N -0.21 0.94 -4.75 -3.46 2.03 -1.26 -4.87 116.55 104.96 2tun n ASP 10 Ca 0.07 -1.32 -0.40 0.00 0.52 0.00 0.00 54.79 53.66 2tun n ASP 10 Cb 0.41 -0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.76 2tun n ASP 10 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2tun s LYS 11 N -2.00 4.82 -0.43 -0.67 1.02 -1.26 -4.88 119.74 116.33 2tun s LYS 11 Ca 0.42 1.55 -0.30 0.00 0.02 0.00 0.00 55.97 57.66 2tun s LYS 11 Cb 0.21 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.17 2tun s LYS 11 CO 0.35 0.46 2.33 -2.30 -0.92 0.00 0.00 175.35 175.27 2tun n PRO 12 N 1.44 1.18 -4.29 -1.68 -0.02 -1.26 -4.76 135.00 125.62 2tun n PRO 12 Ca -0.02 0.22 -0.30 0.00 -2.02 0.00 0.00 63.50 61.38 2tun n PRO 12 Cb 0.47 -2.91 -0.16 0.00 -0.02 0.00 0.00 33.50 30.87 2tun n PRO 12 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2tun s VAL 13 N 9.50 1.69 -0.13 -1.45 -7.23 -1.26 -2.62 120.40 118.89 2tun s VAL 13 Ca 1.06 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 60.48 2tun s VAL 13 Cb -0.52 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 34.91 2tun s VAL 13 CO 0.37 0.48 0.01 0.00 -0.31 0.00 0.00 175.10 175.65 2tun s ALA 14 N 1.19 0.89 -0.33 1.32 0.00 -0.42 -1.80 121.76 122.61 2tun s ALA 14 Ca -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2tun s ALA 14 Cb -0.14 -0.94 0.10 0.00 0.00 0.00 0.00 23.12 22.14 2tun s ALA 14 CO -0.06 -0.75 0.06 -1.58 0.00 0.00 0.00 175.76 173.43 2tun s HIS 15 N 1.90 3.20 -0.22 0.00 2.46 0.11 -1.07 115.29 121.67 2tun s HIS 15 Ca 0.03 -2.66 -0.04 0.00 0.47 0.00 0.00 55.06 52.85 2tun s HIS 15 Cb -0.14 -2.60 -0.01 0.00 -0.13 0.00 0.00 32.58 29.70 2tun s HIS 15 CO -0.07 -0.93 -0.04 0.14 -2.47 0.00 0.00 174.74 171.38 2tun s VAL 16 N 1.09 3.38 -0.11 0.89 -7.23 -0.02 -2.31 120.40 116.09 2tun s VAL 16 Ca 0.11 -0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 59.69 2tun s VAL 16 Cb -0.19 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2tun s VAL 16 CO -0.13 0.40 0.16 0.68 -0.31 0.00 0.00 175.10 175.91 2tun s VAL 17 N 1.48 5.47 -0.03 1.32 -7.23 -0.73 -2.16 120.40 118.52 2tun s VAL 17 Ca 0.06 0.26 -0.37 0.00 -1.81 0.00 0.00 61.98 60.11 2tun s VAL 17 Cb -0.14 -3.43 -0.16 0.00 0.56 0.00 0.00 36.38 33.21 2tun s VAL 17 CO -0.03 0.61 1.52 0.00 -0.31 0.00 0.00 175.10 176.89 2tun n ALA 18 N 1.96 -0.42 -2.39 1.32 0.00 -1.22 -1.96 120.51 117.80 2tun n ALA 18 Ca -0.19 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 2tun n ALA 18 Cb 0.55 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 2tun n ALA 18 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2tun s ASN 19 N 1.68 6.52 0.00 0.00 3.84 0.29 -4.89 114.94 122.38 2tun s ASN 19 Ca 0.89 1.04 0.16 0.00 0.21 0.00 0.00 52.86 55.16 2tun s ASN 19 Cb -0.95 -2.54 0.95 0.00 -0.55 0.00 0.00 41.25 38.16 2tun s ASN 19 CO 0.52 -1.24 1.40 -0.81 -2.79 0.00 0.00 177.10 174.19 2tun n PRO 20 N 7.66 0.67 -0.97 0.43 -0.04 -1.26 -3.54 135.00 137.95 2tun n PRO 20 Ca 0.16 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2tun n PRO 20 Cb 0.47 -1.37 0.15 0.00 -0.04 0.00 0.00 33.50 32.71 2tun n PRO 20 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2tun n GLN 21 N -0.87 1.61 -3.60 0.54 -0.06 -1.26 -4.97 117.38 108.77 2tun n GLN 21 Ca 0.12 -3.23 -0.40 0.00 -2.00 0.00 0.00 57.00 51.48 2tun n GLN 21 Cb 0.05 -1.47 -0.10 0.00 -4.06 0.00 0.00 30.24 24.67 2tun n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2tun s ALA 22 N -2.83 3.29 -0.03 1.69 0.00 -1.23 -5.06 121.76 117.59 2tun s ALA 22 Ca 0.39 -1.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.08 2tun s ALA 22 Cb 0.38 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 2tun s ALA 22 CO -0.07 -1.55 1.50 -2.00 0.00 0.00 0.00 175.76 173.64 2tun s GLU 23 N 1.48 4.23 -1.51 0.00 2.12 -1.26 -3.33 118.70 120.43 2tun s GLU 23 Ca 0.02 2.04 -0.13 0.00 0.36 0.00 0.00 54.97 57.27 2tun s GLU 23 Cb -0.22 -3.73 0.08 0.00 0.26 0.00 0.00 34.13 30.52 2tun s GLU 23 CO 0.04 -0.70 0.98 0.41 -0.54 0.00 0.00 175.26 175.45 2tun n GLY 24 N 3.84 -0.49 3.64 -1.50 0.00 -1.26 -4.98 105.19 104.44 2tun n GLY 24 Ca 0.15 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 2tun n GLY 24 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2tun s GLN 25 N -6.57 0.63 -0.38 1.61 -2.07 -1.21 -4.85 119.66 106.82 2tun s GLN 25 Ca 0.62 0.89 -0.24 0.00 -1.82 0.00 0.00 55.36 54.82 2tun s GLN 25 Cb -0.31 0.23 0.01 0.00 -1.09 0.00 0.00 33.01 31.86 2tun s GLN 25 CO 0.83 -0.10 0.81 -0.48 -1.32 0.00 0.00 175.29 175.02 2tun s LEU 26 N 0.86 4.12 0.10 2.60 2.34 -1.26 -4.66 118.68 122.78 2tun s LEU 26 Ca -0.04 0.34 0.04 0.00 0.06 0.00 0.00 54.13 54.53 2tun s LEU 26 Cb -0.05 -3.06 -0.04 0.00 -0.56 0.00 0.00 46.19 42.49 2tun s LEU 26 CO -0.09 -0.78 0.09 -1.10 -1.06 0.00 0.00 176.35 173.41 2tun s GLN 27 N 3.19 2.85 -0.08 1.48 -0.21 -1.26 -4.94 119.66 120.68 2tun s GLN 27 Ca 0.32 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.97 2tun s GLN 27 Cb -0.13 -2.68 0.01 0.00 1.00 0.00 0.00 33.01 31.21 2tun s GLN 27 CO 0.18 0.54 -0.17 -1.58 -2.12 0.00 0.00 175.29 172.14 2tun s TRP 28 N -1.48 1.91 0.28 0.91 0.52 -1.26 -0.55 118.94 119.26 2tun s TRP 28 Ca 0.29 -0.75 0.02 0.00 0.02 0.00 0.00 56.10 55.69 2tun s TRP 28 Cb -0.12 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.83 2tun s TRP 28 CO 0.22 -0.34 0.14 -0.51 0.02 0.00 0.00 176.95 176.49 2tun s LEU 29 N 0.53 1.60 0.00 2.99 1.02 -0.83 -4.87 118.68 119.12 2tun s LEU 29 Ca -0.16 -1.50 0.00 0.00 0.02 0.00 0.00 54.13 52.49 2tun s LEU 29 Cb -0.17 0.19 0.00 0.00 0.02 0.00 0.00 46.19 46.23 2tun s LEU 29 CO 0.06 -0.85 0.00 -0.46 0.02 0.00 0.00 176.35 175.12 2tun n ASN 30 N -0.75 0.00 -0.21 2.29 6.94 -1.26 -1.77 115.26 120.51 2tun n ASN 30 Ca 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.55 2tun n ASN 30 Cb 0.65 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.06 2tun n ASN 30 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2tun n ARG 31 N 0.00 -1.89 -4.11 -3.83 1.85 -1.25 -4.91 116.66 102.51 2tun n ARG 31 Ca 0.00 0.37 -0.23 0.00 -1.00 0.00 0.00 57.85 57.00 2tun n ARG 31 Cb 0.00 -4.17 -0.06 0.00 -1.05 0.00 0.00 32.46 27.18 2tun n ARG 31 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2tun s ARG 32 N -1.50 2.47 0.00 2.89 3.52 -1.26 -4.98 118.95 120.09 2tun s ARG 32 Ca 0.00 -1.42 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 2tun s ARG 32 Cb 0.00 -2.26 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 2tun s ARG 32 CO 0.00 0.21 0.00 0.00 -0.81 0.00 0.00 175.30 174.70 2tun n ALA 33 N -1.12 0.00 -3.19 6.12 0.00 -1.26 0.11 120.51 121.17 2tun n ALA 33 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 2tun n ALA 33 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 2tun n ALA 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2tun n ASN 34 N 0.00 1.51 -4.20 0.00 2.85 -1.26 -5.02 115.26 109.14 2tun n ASN 34 Ca 0.00 -3.05 -0.41 0.00 -0.11 0.00 0.00 54.58 51.01 2tun n ASN 34 Cb 0.00 -0.63 -0.06 0.00 1.24 0.00 0.00 39.78 40.33 2tun n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2tun s ALA 35 N -2.12 3.81 -0.50 5.20 0.00 0.30 -4.90 121.76 123.55 2tun s ALA 35 Ca 0.39 -3.28 -0.13 0.00 0.00 0.00 0.00 51.96 48.94 2tun s ALA 35 Cb 0.25 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.43 2tun s ALA 35 CO -0.09 -2.18 0.41 -0.48 0.00 0.00 0.00 175.76 173.42 2tun s LEU 36 N 0.05 5.85 -0.79 0.00 2.34 -0.98 -3.90 118.68 121.26 2tun s LEU 36 Ca 0.17 -1.74 0.02 0.00 0.06 0.00 0.00 54.13 52.65 2tun s LEU 36 Cb -0.16 -2.12 0.28 0.00 -0.56 0.00 0.00 46.19 43.63 2tun s LEU 36 CO -0.06 -0.74 1.05 -0.11 -1.06 0.00 0.00 176.35 175.43 2tun n LEU 37 N 5.10 4.86 0.00 1.48 7.94 -1.26 0.09 117.00 135.21 2tun n LEU 37 Ca -0.11 -5.39 0.00 0.00 -1.11 0.00 0.00 56.01 49.39 2tun n LEU 37 Cb 0.41 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.49 2tun n LEU 37 CO 0.48 1.97 0.00 0.00 -1.11 0.00 0.00 177.39 178.73 2tun n ALA 38 N 0.85 0.00 -1.02 1.96 0.00 -0.74 -4.84 120.51 116.72 2tun n ALA 38 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 2tun n ALA 38 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 2tun n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2tun n ASN 39 N 0.00 -1.57 0.00 0.00 4.13 -1.26 -3.59 115.26 112.97 2tun n ASN 39 Ca 0.00 -1.29 0.00 0.00 1.68 0.00 0.00 54.58 54.97 2tun n ASN 39 Cb 0.00 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 2tun n ASN 39 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2tun n GLY 40 N 4.38 2.02 3.65 7.41 0.00 -1.26 -4.20 105.19 117.18 2tun n GLY 40 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2tun n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2tun s VAL 41 N -0.65 4.14 0.03 1.61 -7.23 -1.24 -4.59 120.40 112.48 2tun s VAL 41 Ca 0.00 1.35 0.02 0.00 -1.81 0.00 0.00 61.98 61.54 2tun s VAL 41 Cb 0.00 -3.98 -0.02 0.00 0.56 0.00 0.00 36.38 32.94 2tun s VAL 41 CO 0.00 -0.24 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.87 2tun s GLU 42 N 3.83 0.48 -0.31 4.82 8.01 -1.24 -4.44 118.70 129.85 2tun s GLU 42 Ca 0.58 -0.63 -0.10 0.00 0.01 0.00 0.00 54.97 54.83 2tun s GLU 42 Cb -0.21 -0.27 -0.01 0.00 -4.31 0.00 0.00 34.13 29.33 2tun s GLU 42 CO 0.19 0.05 0.15 -0.48 0.01 0.00 0.00 175.26 175.18 2tun s LEU 43 N -1.28 4.09 -0.10 1.80 0.05 -1.26 -1.89 118.68 120.10 2tun s LEU 43 Ca -0.08 -0.50 -0.05 0.00 0.05 0.00 0.00 54.13 53.55 2tun s LEU 43 Cb -0.08 -2.01 -0.02 0.00 -2.05 0.00 0.00 46.19 42.03 2tun s LEU 43 CO 0.00 -0.19 -0.10 -0.09 -0.55 0.00 0.00 176.35 175.42 2tun h ARG 44 N 8.35 0.00 -2.70 1.48 9.65 -1.97 -3.46 114.38 125.73 2tun h ARG 44 Ca -0.32 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 57.96 2tun h ARG 44 Cb 1.15 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.33 2tun h ARG 44 CO 0.61 0.00 -0.81 -0.51 2.80 0.00 0.00 179.97 182.06 2tun s ASP 45 N -5.14 2.89 -0.85 -3.80 1.01 -1.26 -4.91 116.67 104.61 2tun s ASP 45 Ca -0.09 -3.06 -0.03 0.00 0.71 0.00 0.00 52.55 50.08 2tun s ASP 45 Cb 0.01 -0.85 0.03 0.00 1.01 0.00 0.00 42.92 43.12 2tun s ASP 45 CO 0.13 -0.19 0.15 0.59 0.21 0.00 0.00 175.17 176.06 2tun n ASN 46 N 2.92 -2.93 -4.01 0.27 3.02 -1.26 -4.94 115.26 108.33 2tun n ASN 46 Ca 0.21 0.07 -0.14 0.00 -0.03 0.00 0.00 54.58 54.69 2tun n ASN 46 Cb 0.41 -2.51 -0.13 0.00 -0.61 0.00 0.00 39.78 36.94 2tun n ASN 46 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2tun s GLN 47 N -5.37 0.46 -0.30 3.52 -0.21 -1.26 -4.78 119.66 111.72 2tun s GLN 47 Ca 0.14 -0.51 -0.10 0.00 0.02 0.00 0.00 55.36 54.91 2tun s GLN 47 Cb -0.08 -0.31 -0.02 0.00 1.00 0.00 0.00 33.01 33.61 2tun s GLN 47 CO 0.17 0.07 0.15 -1.17 -2.12 0.00 0.00 175.29 172.39 2tun s LEU 48 N -0.97 4.02 -0.46 2.90 1.98 -0.69 -3.24 118.68 122.22 2tun s LEU 48 Ca -0.05 -0.40 -0.20 0.00 -2.89 0.00 0.00 54.13 50.59 2tun s LEU 48 Cb -0.07 -2.01 0.04 0.00 0.66 0.00 0.00 46.19 44.81 2tun s LEU 48 CO 0.00 -0.15 0.62 -0.69 -1.89 0.00 0.00 176.35 174.23 2tun s VAL 49 N 1.64 4.87 -0.19 1.68 1.01 -0.79 0.26 120.40 128.87 2tun s VAL 49 Ca 0.05 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 2tun s VAL 49 Cb -0.17 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 2tun s VAL 49 CO 0.07 -0.66 1.18 0.68 0.00 0.00 0.00 175.10 176.37 2tun s VAL 50 N 2.69 4.42 -0.85 2.92 -7.23 0.20 -3.72 120.40 118.83 2tun s VAL 50 Ca 0.19 1.71 0.07 0.00 -1.81 0.00 0.00 61.98 62.14 2tun s VAL 50 Cb -0.16 -4.11 0.38 0.00 0.56 0.00 0.00 36.38 33.04 2tun s VAL 50 CO 0.16 -0.16 1.12 -0.81 -0.31 0.00 0.00 175.10 175.09 2tun n PRO 51 N 6.52 2.69 -3.62 4.82 -0.04 -1.26 0.27 135.00 144.38 2tun n PRO 51 Ca 0.13 -1.46 -0.07 0.00 -0.04 0.00 0.00 63.50 62.07 2tun n PRO 51 Cb 0.45 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 2tun n PRO 51 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2tun s SER 52 N -0.46 -0.31 0.57 3.54 0.15 -1.26 -4.75 113.70 111.18 2tun s SER 52 Ca 0.25 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.55 2tun s SER 52 Cb 0.19 0.48 -0.06 0.00 -1.71 0.00 0.00 66.02 64.92 2tun s SER 52 CO 0.09 -0.84 1.01 -0.70 1.20 0.00 0.00 173.24 174.00 2tun s GLU 53 N -3.33 3.76 0.00 5.44 2.12 -1.26 -3.78 118.70 121.64 2tun s GLU 53 Ca 0.08 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.28 2tun s GLU 53 Cb -0.02 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.27 2tun s GLU 53 CO -0.04 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2tun n GLY 54 N -2.08 3.05 3.80 -1.50 0.00 -0.72 -4.93 105.19 102.82 2tun n GLY 54 Ca 0.06 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 2tun n GLY 54 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2tun s LEU 55 N 0.00 4.40 0.07 0.99 0.05 -1.26 0.44 118.68 123.37 2tun s LEU 55 Ca 0.00 0.80 0.04 0.00 0.05 0.00 0.00 54.13 55.02 2tun s LEU 55 Cb 0.00 -2.50 -0.03 0.00 -2.05 0.00 0.00 46.19 41.60 2tun s LEU 55 CO 0.00 0.25 -0.11 -0.31 -0.55 0.00 0.00 176.35 175.63 2tun s TYR 56 N -0.54 1.02 -0.25 3.48 1.51 0.13 -2.17 117.35 120.53 2tun s TYR 56 Ca 0.22 -0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 55.60 2tun s TYR 56 Cb -0.15 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2tun s TYR 56 CO 0.10 0.00 0.34 -1.17 -1.11 0.00 0.00 175.55 173.71 2tun s LEU 57 N -1.95 4.07 -0.15 -1.29 1.98 0.16 -0.53 118.68 120.98 2tun s LEU 57 Ca -0.01 0.29 -0.02 0.00 -2.89 0.00 0.00 54.13 51.49 2tun s LEU 57 Cb -0.08 -2.38 -0.02 0.00 0.66 0.00 0.00 46.19 44.38 2tun s LEU 57 CO 0.01 -0.12 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.64 2tun s ILE 58 N 1.76 3.43 0.03 6.68 1.01 0.72 -1.58 121.20 133.25 2tun s ILE 58 Ca 0.14 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 2tun s ILE 58 Cb -0.15 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2tun s ILE 58 CO 0.09 0.50 0.21 -0.72 0.00 0.00 0.00 174.94 175.02 2tun s TYR 59 N 0.45 0.02 -0.29 3.97 -0.85 -0.50 0.59 117.35 120.74 2tun s TYR 59 Ca -0.07 -0.21 -0.25 0.00 -0.52 0.00 0.00 57.07 56.02 2tun s TYR 59 Cb -0.15 -0.01 0.16 0.00 0.38 0.00 0.00 41.96 42.34 2tun s TYR 59 CO 0.04 -0.43 1.25 0.45 -1.52 0.00 0.00 175.55 175.34 2tun s SER 60 N -1.99 -0.23 0.06 -0.18 0.15 0.29 -1.71 113.70 110.09 2tun s SER 60 Ca -0.06 0.43 0.04 0.00 0.70 0.00 0.00 55.95 57.06 2tun s SER 60 Cb -0.02 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 2tun s SER 60 CO -0.03 -0.09 -0.12 -1.58 1.20 0.00 0.00 173.24 172.63 2tun s GLN 61 N 0.02 0.71 -0.00 5.44 0.74 -0.43 0.41 119.66 126.56 2tun s GLN 61 Ca 0.05 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.60 2tun s GLN 61 Cb -0.05 -0.63 0.00 0.00 1.10 0.00 0.00 33.01 33.44 2tun s GLN 61 CO -0.11 0.13 -0.02 0.14 -0.55 0.00 0.00 175.29 174.89 2tun s VAL 62 N -1.29 0.17 -0.07 1.34 -7.23 -0.51 -0.75 120.40 112.07 2tun s VAL 62 Ca -0.05 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.09 2tun s VAL 62 Cb -0.10 -0.16 -0.00 0.00 0.56 0.00 0.00 36.38 36.68 2tun s VAL 62 CO 0.02 0.06 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.45 2tun s LEU 63 N 0.07 1.94 -0.14 1.32 0.20 -1.22 0.34 118.68 121.19 2tun s LEU 63 Ca -0.00 -0.43 -0.09 0.00 0.69 0.00 0.00 54.13 54.29 2tun s LEU 63 Cb -0.02 -1.14 -0.05 0.00 -0.43 0.00 0.00 46.19 44.55 2tun s LEU 63 CO -0.00 0.15 0.17 -0.36 -0.29 0.00 0.00 176.35 176.02 2tun s PHE 64 N 0.20 3.53 0.00 5.38 0.40 0.47 -3.12 117.98 124.83 2tun s PHE 64 Ca -0.10 0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 2tun s PHE 64 Cb -0.14 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.29 2tun s PHE 64 CO 0.05 0.52 0.00 1.17 0.70 0.00 0.00 175.22 177.65 2tun n LYS 65 N 2.70 0.00 -1.56 0.44 4.81 0.68 -1.19 118.16 124.03 2tun n LYS 65 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2tun n LYS 65 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2tun n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2tun n GLY 66 N 3.29 -3.64 2.84 3.14 0.00 -1.26 -2.77 105.19 106.78 2tun n GLY 66 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2tun n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2tun s GLN 67 N -4.18 0.31 0.00 1.61 0.74 -1.26 -1.45 119.66 115.43 2tun s GLN 67 Ca 0.00 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.66 2tun s GLN 67 Cb 0.00 -0.69 0.00 0.00 1.10 0.00 0.00 33.01 33.42 2tun s GLN 67 CO 0.00 -0.78 0.00 0.41 -0.55 0.00 0.00 175.29 174.37 2tun n GLY 68 N 5.34 -0.29 3.73 2.59 0.00 -0.24 -4.67 105.19 111.64 2tun n GLY 68 Ca -0.03 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2tun n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tun n PRO 70 N 3.45 3.53 -2.59 0.00 -0.04 -1.26 -3.36 135.00 134.74 2tun n PRO 70 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 2tun n PRO 70 Cb 0.39 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.82 2tun n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2tun s SER 71 N -1.00 6.29 0.00 3.54 0.15 -1.26 -4.48 113.70 116.95 2tun s SER 71 Ca 0.00 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2tun s SER 71 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2tun s SER 71 CO 0.00 -1.64 0.00 1.07 1.20 0.00 0.00 173.24 173.87 2tun n THR 72 N 6.48 0.00 -3.51 6.45 5.66 -1.26 -4.49 114.28 123.61 2tun n THR 72 Ca 0.05 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.63 2tun n THR 72 Cb 0.49 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.19 2tun n THR 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2tun s HIS 73 N 0.00 3.41 -0.25 1.09 3.76 -1.26 -4.58 115.29 117.45 2tun s HIS 73 Ca 0.00 -1.80 0.21 0.00 -0.15 0.00 0.00 55.06 53.32 2tun s HIS 73 Cb 0.00 -3.56 0.05 0.00 1.11 0.00 0.00 32.58 30.19 2tun s HIS 73 CO 0.00 -1.00 1.17 -0.39 -0.85 0.00 0.00 174.74 173.67 2tun h VAL 74 N 6.03 0.20 -6.48 -0.90 -1.51 -1.90 -3.49 116.25 108.19 2tun h VAL 74 Ca -0.21 -1.33 -0.40 0.00 -1.23 0.00 0.00 66.70 63.53 2tun h VAL 74 Cb 1.07 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 2tun h VAL 74 CO 0.89 0.11 -0.88 0.18 -1.23 0.00 0.00 177.57 176.64 2tun n LEU 75 N -2.88 -2.81 -4.62 4.19 7.99 -1.26 -4.84 117.00 112.78 2tun n LEU 75 Ca -0.01 -0.81 -0.50 0.00 -0.01 0.00 0.00 56.01 54.69 2tun n LEU 75 Cb 0.62 -1.97 -0.05 0.00 -0.11 0.00 0.00 43.42 41.92 2tun n LEU 75 CO 0.39 0.11 1.01 0.18 -1.51 0.00 0.00 177.39 177.57 2tun n LEU 76 N -2.55 2.17 -3.97 2.23 7.99 -0.92 -4.61 117.00 117.34 2tun n LEU 76 Ca -0.25 1.11 -0.28 0.00 -0.01 0.00 0.00 56.01 56.58 2tun n LEU 76 Cb 0.65 -1.27 -0.17 0.00 -0.11 0.00 0.00 43.42 42.52 2tun n LEU 76 CO 0.62 -0.77 -0.46 0.42 -1.51 0.00 0.00 177.39 175.69 2tun s THR 77 N 0.67 1.25 -0.58 -5.08 -4.23 -1.25 -1.37 115.64 105.05 2tun s THR 77 Ca 0.83 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2tun s THR 77 Cb -0.86 -1.21 0.15 0.00 1.34 0.00 0.00 72.50 71.93 2tun s THR 77 CO 0.44 0.40 0.40 -2.28 -0.54 0.00 0.00 174.62 173.04 2tun s HIS 78 N 1.43 3.47 -0.81 3.99 2.46 -0.69 -2.82 115.29 122.31 2tun s HIS 78 Ca 0.01 -2.54 -0.03 0.00 0.47 0.00 0.00 55.06 52.96 2tun s HIS 78 Cb -0.13 -3.27 0.20 0.00 -0.13 0.00 0.00 32.58 29.26 2tun s HIS 78 CO -0.07 -0.89 0.68 0.95 -2.47 0.00 0.00 174.74 172.95 2tun s THR 79 N 0.32 4.33 0.05 0.89 -4.23 -1.12 -1.69 115.64 114.19 2tun s THR 79 Ca 0.14 -3.44 -0.31 0.00 -1.18 0.00 0.00 61.69 56.91 2tun s THR 79 Cb -0.21 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 69.84 2tun s THR 79 CO -0.04 -1.02 1.58 -0.63 -0.54 0.00 0.00 174.62 173.98 2tun s ILE 80 N -0.80 3.23 0.34 2.99 1.01 -1.16 -4.39 121.20 122.41 2tun s ILE 80 Ca 0.23 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.56 2tun s ILE 80 Cb -0.12 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 2tun s ILE 80 CO -0.09 -0.00 0.39 -0.55 0.00 0.00 0.00 174.94 174.69 2tun s SER 81 N 2.28 1.24 -0.08 3.58 0.15 0.12 0.12 113.70 121.10 2tun s SER 81 Ca 0.71 -1.61 -0.03 0.00 0.70 0.00 0.00 55.95 55.72 2tun s SER 81 Cb -0.37 0.62 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2tun s SER 81 CO 0.31 -1.20 0.16 0.00 1.20 0.00 0.00 173.24 173.71 2tun s ARG 82 N -3.22 0.06 -0.67 5.44 1.70 0.74 0.23 118.95 123.23 2tun s ARG 82 Ca 0.35 0.50 -0.13 0.00 -0.47 0.00 0.00 55.73 55.98 2tun s ARG 82 Cb 0.01 -0.23 0.17 0.00 -0.57 0.00 0.00 34.95 34.33 2tun s ARG 82 CO 0.23 -0.26 0.60 -1.50 -1.08 0.00 0.00 175.30 173.29 2tun s ILE 83 N 1.90 5.13 0.18 4.99 2.07 -0.81 0.93 121.20 135.60 2tun s ILE 83 Ca -0.01 -2.11 -0.30 0.00 -1.41 0.00 0.00 60.65 56.82 2tun s ILE 83 Cb -0.12 -4.25 -0.07 0.00 0.13 0.00 0.00 42.46 38.15 2tun s ILE 83 CO -0.06 -0.93 0.95 0.54 -1.91 0.00 0.00 174.94 173.53 2tun s VAL 84 N 0.76 4.28 0.31 4.00 0.11 -1.11 -3.12 120.40 125.64 2tun s VAL 84 Ca 0.11 2.08 0.20 0.00 -2.93 0.00 0.00 61.98 61.45 2tun s VAL 84 Cb -0.20 -4.33 0.19 0.00 -1.53 0.00 0.00 36.38 30.51 2tun s VAL 84 CO -0.03 0.41 1.89 1.62 -3.33 0.00 0.00 175.10 175.66 2tun h VAL 85 N 3.58 0.85 0.14 2.04 3.04 -1.89 -2.92 116.25 121.09 2tun h VAL 85 Ca -0.44 -1.05 -0.01 0.00 -1.01 0.00 0.00 66.70 64.19 2tun h VAL 85 Cb 1.21 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 2tun h VAL 85 CO 0.70 0.26 -0.07 0.77 -1.01 0.00 0.00 177.57 178.22 2tun h SER 86 N 0.00 -0.16 -3.76 3.17 4.64 -1.93 -3.37 113.55 112.14 2tun h SER 86 Ca -0.00 0.01 -0.79 0.00 -0.47 0.00 0.00 61.79 60.53 2tun h SER 86 Cb 0.61 0.04 -0.27 0.00 -0.31 0.00 0.00 62.40 62.48 2tun h SER 86 CO 0.03 0.05 0.19 -0.72 -0.87 0.00 0.00 176.83 175.51 2tun s TYR 87 N -2.18 3.90 0.00 4.77 -0.85 -1.25 -4.96 117.35 116.78 2tun s TYR 87 Ca -0.03 -2.18 -0.25 0.00 -0.52 0.00 0.00 57.07 54.09 2tun s TYR 87 Cb 0.00 -3.83 -0.31 0.00 0.38 0.00 0.00 41.96 38.21 2tun s TYR 87 CO 0.08 -0.98 1.42 1.04 -1.52 0.00 0.00 175.55 175.60 2tun n GLN 88 N 3.63 0.00 -3.79 -3.49 6.02 -1.10 -4.21 117.38 114.44 2tun n GLN 88 Ca 0.17 -0.86 -0.13 0.00 -0.01 0.00 0.00 57.00 56.17 2tun n GLN 88 Cb 0.45 -2.31 -0.12 0.00 1.02 0.00 0.00 30.24 29.28 2tun n GLN 88 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2tun s THR 89 N 6.41 -0.00 -1.13 5.09 -1.32 -1.24 -5.00 115.64 118.44 2tun s THR 89 Ca 0.56 0.02 -0.19 0.00 -1.21 0.00 0.00 61.69 60.87 2tun s THR 89 Cb 0.12 -0.31 0.10 0.00 -1.51 0.00 0.00 72.50 70.90 2tun s THR 89 CO 0.28 0.01 1.47 -0.75 -2.21 0.00 0.00 174.62 173.42 2tun s LYS 90 N 0.24 3.83 -0.39 7.08 2.20 -1.26 -2.73 119.74 128.70 2tun s LYS 90 Ca -0.01 -1.84 -0.26 0.00 -0.36 0.00 0.00 55.97 53.50 2tun s LYS 90 Cb -0.02 -5.26 0.02 0.00 -1.51 0.00 0.00 37.83 31.05 2tun s LYS 90 CO -0.01 -2.04 0.93 0.08 -0.36 0.00 0.00 175.35 173.95 2tun s VAL 91 N 3.55 4.56 0.28 4.02 1.01 0.27 -4.82 120.40 129.26 2tun s VAL 91 Ca 0.45 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 2tun s VAL 91 Cb -0.00 -4.36 -0.11 0.00 0.00 0.00 0.00 36.38 31.91 2tun s VAL 91 CO -0.02 -0.60 1.54 0.20 0.00 0.00 0.00 175.10 176.22 2tun s ASN 92 N 1.96 6.46 -0.25 3.32 0.02 -1.26 -0.18 114.94 125.00 2tun s ASN 92 Ca 0.38 2.86 0.03 0.00 -1.02 0.00 0.00 52.86 55.11 2tun s ASN 92 Cb -0.11 -2.63 -0.18 0.00 0.02 0.00 0.00 41.25 38.35 2tun s ASN 92 CO 0.20 -0.85 -0.19 0.18 0.02 0.00 0.00 177.10 176.47 2tun n LEU 93 N 2.18 2.79 -4.52 0.60 4.77 -0.25 -4.79 117.00 117.79 2tun n LEU 93 Ca 0.08 -0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 55.69 2tun n LEU 93 Cb 0.38 -0.83 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 2tun n LEU 93 CO 0.63 0.91 -0.35 -0.76 -1.33 0.00 0.00 177.39 176.49 2tun s LEU 94 N -6.48 2.65 -0.17 2.23 1.02 0.31 -5.00 118.68 113.24 2tun s LEU 94 Ca -0.33 -1.25 -0.30 0.00 0.02 0.00 0.00 54.13 52.26 2tun s LEU 94 Cb 0.09 -0.82 0.13 0.00 0.02 0.00 0.00 46.19 45.61 2tun s LEU 94 CO 0.62 -0.34 1.02 -0.55 0.02 0.00 0.00 176.35 177.12 2tun s SER 95 N -3.58 -0.34 -0.29 2.29 0.15 -1.25 -2.97 113.70 107.71 2tun s SER 95 Ca 0.33 0.36 -0.09 0.00 0.70 0.00 0.00 55.95 57.25 2tun s SER 95 Cb 0.05 0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.77 2tun s SER 95 CO 0.16 -0.32 0.63 0.00 1.20 0.00 0.00 173.24 174.90 2tun s ALA 96 N -1.16 -1.97 -0.21 5.45 0.00 -0.68 -4.93 121.76 118.26 2tun s ALA 96 Ca -0.01 2.25 -0.03 0.00 0.00 0.00 0.00 51.96 54.18 2tun s ALA 96 Cb -0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.37 2tun s ALA 96 CO 0.01 -0.93 -0.08 0.42 0.00 0.00 0.00 175.76 175.18 2tun s ILE 97 N 2.87 3.10 0.01 0.00 1.09 -1.26 -1.71 121.20 125.30 2tun s ILE 97 Ca -0.05 -0.59 0.06 0.00 -1.10 0.00 0.00 60.65 58.97 2tun s ILE 97 Cb -0.12 -2.39 -0.02 0.00 -1.06 0.00 0.00 42.46 38.87 2tun s ILE 97 CO -0.18 0.45 -0.18 -0.75 -0.10 0.00 0.00 174.94 174.17 2tun s LYS 98 N 1.41 1.39 -0.34 2.79 2.20 -0.47 -4.97 119.74 121.75 2tun s LYS 98 Ca 0.05 -0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 54.78 2tun s LYS 98 Cb -0.14 -1.40 -0.02 0.00 -1.51 0.00 0.00 37.83 34.77 2tun s LYS 98 CO -0.05 0.37 0.28 -1.54 -0.36 0.00 0.00 175.35 174.06 2tun s SER 99 N -0.73 6.11 -0.00 1.43 1.04 -1.26 -2.17 113.70 118.12 2tun s SER 99 Ca 0.07 -0.32 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 2tun s SER 99 Cb -0.08 -2.16 -0.08 0.00 0.10 0.00 0.00 66.02 63.80 2tun s SER 99 CO 0.00 -0.26 0.83 -0.65 0.98 0.00 0.00 173.24 174.14 2tun h PRO 100 N 8.47 -0.50 -5.17 4.02 0.11 -2.00 -3.48 132.00 133.45 2tun h PRO 100 Ca -0.31 0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.48 2tun h PRO 100 Cb 1.15 0.11 -0.16 0.00 0.11 0.00 0.00 31.00 32.22 2tun h PRO 100 CO 0.65 -0.33 -0.73 0.00 -0.21 0.00 0.00 178.00 177.38 2tun n GLN 102 N 0.06 3.29 0.00 0.00 1.13 -1.26 -4.91 117.38 115.68 2tun n GLN 102 Ca -0.12 -4.48 0.00 0.00 -1.94 0.00 0.00 57.00 50.46 2tun n GLN 102 Cb 0.59 -2.50 0.00 0.00 0.11 0.00 0.00 30.24 28.45 2tun n GLN 102 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2tun n ARG 103 N 2.43 0.00 0.00 -1.09 3.00 -1.26 -4.97 116.66 114.77 2tun n ARG 103 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 2tun n ARG 103 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.84 2tun n ARG 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2tun n GLU 104 N 0.00 0.00 -3.69 -0.14 -0.58 -1.26 -4.76 120.64 110.21 2tun n GLU 104 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2tun n GLU 104 Cb 0.00 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 30.91 2tun n GLU 104 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2tun n THR 105 N 0.00 -5.61 0.00 2.62 -1.04 -1.21 -4.71 114.28 104.33 2tun n THR 105 Ca 0.00 -0.89 0.00 0.00 -2.04 0.00 0.00 64.05 61.12 2tun n THR 105 Cb 0.00 -4.24 0.00 0.00 -1.82 0.00 0.00 70.33 64.27 2tun n THR 105 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2tun n PRO 106 N -4.15 0.00 0.00 -2.82 -0.02 -1.25 -4.78 135.00 121.98 2tun n PRO 106 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2tun n PRO 106 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 2tun n PRO 106 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2tun n GLU 107 N -0.04 0.00 -0.34 -0.52 0.00 -1.26 -3.20 120.64 115.28 2tun n GLU 107 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 2tun n GLU 107 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 2tun n GLU 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2tun n GLY 108 N 0.00 -2.33 3.06 8.31 0.00 -1.26 -2.24 105.19 110.74 2tun n GLY 108 Ca 0.00 1.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.60 2tun n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tun n ALA 109 N -3.30 4.85 -1.55 4.61 0.00 -1.19 -5.01 120.51 118.92 2tun n ALA 109 Ca 0.02 -4.77 -0.44 0.00 0.00 0.00 0.00 53.44 48.25 2tun n ALA 109 Cb 0.21 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.33 2tun n ALA 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2tun n GLU 110 N 1.67 1.55 -0.37 0.00 4.07 -0.95 -4.75 120.64 121.86 2tun n GLU 110 Ca 0.26 0.38 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 2tun n GLU 110 Cb 0.35 -3.02 0.00 0.00 -0.06 0.00 0.00 31.44 28.71 2tun n GLU 110 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2tun n ALA 111 N 11.78 -1.00 -2.73 4.31 0.00 -1.26 -5.01 120.51 126.60 2tun n ALA 111 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.63 2tun n ALA 111 Cb 0.39 -0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.60 2tun n ALA 111 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2tun s LYS 112 N -0.24 0.71 0.68 0.00 1.02 -1.26 -4.61 119.74 116.04 2tun s LYS 112 Ca 0.00 -0.91 -0.16 0.00 0.02 0.00 0.00 55.97 54.92 2tun s LYS 112 Cb 0.00 -0.57 0.01 0.00 -0.52 0.00 0.00 37.83 36.75 2tun s LYS 112 CO 0.00 0.11 1.18 -1.25 -0.92 0.00 0.00 175.35 174.47 2tun s PRO 113 N -1.86 2.52 -0.53 -1.68 0.04 -1.26 -1.08 135.00 131.15 2tun s PRO 113 Ca -0.04 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.73 2tun s PRO 113 Cb -0.09 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 32.78 2tun s PRO 113 CO 0.01 -1.53 0.53 -2.67 0.04 0.00 0.00 177.00 173.39 2tun n TRP 114 N -2.37 1.34 -1.63 0.56 4.27 -0.53 -4.90 117.44 114.18 2tun n TRP 114 Ca 0.13 -3.82 -0.43 0.00 -3.89 0.00 0.00 57.50 49.49 2tun n TRP 114 Cb 0.51 -0.32 -0.03 0.00 -1.36 0.00 0.00 31.31 30.11 2tun n TRP 114 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 2tun n TYR 115 N 1.73 2.28 -3.80 -2.67 4.01 -1.24 -4.60 117.16 112.87 2tun n TYR 115 Ca 0.25 -0.27 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 2tun n TYR 115 Cb 0.45 -2.77 -0.17 0.00 -0.31 0.00 0.00 39.34 36.54 2tun n TYR 115 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2tun s GLU 116 N 5.30 0.91 0.09 -0.72 0.41 -0.33 -4.97 118.70 119.38 2tun s GLU 116 Ca 0.94 -0.29 -0.26 0.00 -0.41 0.00 0.00 54.97 54.95 2tun s GLU 116 Cb -0.39 -1.73 -0.06 0.00 -1.78 0.00 0.00 34.13 30.16 2tun s GLU 116 CO 0.39 -0.47 0.82 -1.25 -0.49 0.00 0.00 175.26 174.27 2tun s PRO 117 N 1.82 4.57 -0.34 0.39 0.05 -1.26 -0.40 135.00 139.84 2tun s PRO 117 Ca 0.01 1.19 -0.01 0.00 0.05 0.00 0.00 61.00 62.25 2tun s PRO 117 Cb -0.15 -3.34 0.12 0.00 0.05 0.00 0.00 34.50 31.18 2tun s PRO 117 CO -0.07 0.33 0.17 0.42 0.05 0.00 0.00 177.00 177.90 2tun s ILE 118 N -0.29 0.35 -0.17 0.56 1.01 0.15 -4.99 121.20 117.83 2tun s ILE 118 Ca 0.40 -1.46 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 2tun s ILE 118 Cb -0.22 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2tun s ILE 118 CO 0.26 -0.84 -0.05 -0.47 0.00 0.00 0.00 174.94 173.83 2tun s TYR 119 N 1.40 2.97 0.03 3.97 5.04 -1.26 -1.43 117.35 128.07 2tun s TYR 119 Ca 0.14 -0.51 0.07 0.00 -2.44 0.00 0.00 57.07 54.33 2tun s TYR 119 Cb -0.20 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 2tun s TYR 119 CO -0.15 -0.20 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.15 2tun s LEU 120 N 0.69 2.14 -0.15 6.97 1.02 0.17 -4.97 118.68 124.55 2tun s LEU 120 Ca -0.03 -0.47 -0.29 0.00 0.02 0.00 0.00 54.13 53.36 2tun s LEU 120 Cb -0.15 -0.92 0.09 0.00 0.02 0.00 0.00 46.19 45.24 2tun s LEU 120 CO 0.02 0.16 0.82 -0.83 0.02 0.00 0.00 176.35 176.54 2tun s GLY 121 N -1.02 -0.44 0.00 -3.19 0.00 -1.25 0.10 107.32 101.53 2tun s GLY 121 Ca 0.07 1.80 0.00 0.00 0.00 0.00 0.00 44.72 46.59 2tun s GLY 121 CO 0.01 1.22 0.00 0.61 0.00 0.00 0.00 173.10 174.95 2tun n GLY 122 N 1.33 0.66 3.73 0.20 0.00 0.20 -4.96 105.19 106.36 2tun n GLY 122 Ca -0.15 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 2tun n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tun s VAL 123 N -2.00 4.92 -0.09 1.61 1.01 -1.26 -0.20 120.40 124.39 2tun s VAL 123 Ca 0.00 1.47 -0.07 0.00 0.00 0.00 0.00 61.98 63.39 2tun s VAL 123 Cb 0.00 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.36 2tun s VAL 123 CO 0.00 0.32 0.24 -0.36 0.00 0.00 0.00 175.10 175.29 2tun s PHE 124 N 0.34 -0.28 -0.09 5.22 0.08 0.32 -4.97 117.98 118.59 2tun s PHE 124 Ca 0.37 0.68 -0.18 0.00 0.12 0.00 0.00 56.93 57.92 2tun s PHE 124 Cb -0.19 0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.29 2tun s PHE 124 CO 0.20 -0.17 0.50 -1.14 -0.10 0.00 0.00 175.22 174.51 2tun s GLN 125 N 0.58 4.30 0.45 0.44 0.74 -1.26 0.20 119.66 125.11 2tun s GLN 125 Ca -0.04 0.51 0.03 0.00 0.05 0.00 0.00 55.36 55.91 2tun s GLN 125 Cb -0.05 -3.40 -0.01 0.00 1.10 0.00 0.00 33.01 30.64 2tun s GLN 125 CO -0.03 0.24 0.12 -0.51 -0.55 0.00 0.00 175.29 174.55 2tun s LEU 126 N 0.35 2.03 0.00 3.68 1.43 0.17 -4.95 118.68 121.39 2tun s LEU 126 Ca 0.27 -1.74 0.02 0.00 -1.03 0.00 0.00 54.13 51.65 2tun s LEU 126 Cb -0.16 -0.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 2tun s LEU 126 CO 0.12 -0.99 0.08 -0.62 0.23 0.00 0.00 176.35 175.18 2tun n GLU 127 N -1.04 0.71 -2.72 1.70 1.02 -1.25 -1.76 120.64 117.29 2tun n GLU 127 Ca -0.10 -3.26 -0.41 0.00 -0.02 0.00 0.00 57.16 53.37 2tun n GLU 127 Cb 0.65 1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 33.44 2tun n GLU 127 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2tun s LYS 128 N -3.53 4.72 0.00 3.49 2.20 -1.25 -3.60 119.74 121.78 2tun s LYS 128 Ca 0.12 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.20 2tun s LYS 128 Cb 0.01 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 2tun s LYS 128 CO 0.08 0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.75 2tun n GLY 129 N 2.10 1.19 3.72 5.54 0.00 0.14 -4.85 105.19 113.03 2tun n GLY 129 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2tun n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2tun s ASP 130 N -3.02 6.38 -0.12 1.61 1.11 -1.10 -4.68 116.67 116.85 2tun s ASP 130 Ca 0.00 2.86 -0.16 0.00 0.18 0.00 0.00 52.55 55.43 2tun s ASP 130 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 2tun s ASP 130 CO 0.00 -0.98 0.40 -0.13 1.18 0.00 0.00 175.17 175.64 2tun s ARG 131 N 1.37 4.25 -0.15 8.23 1.81 -1.18 0.62 118.95 133.90 2tun s ARG 131 Ca 0.76 0.32 -0.02 0.00 -1.72 0.00 0.00 55.73 55.06 2tun s ARG 131 Cb -0.49 -3.40 -0.02 0.00 -0.45 0.00 0.00 34.95 30.58 2tun s ARG 131 CO 0.33 0.26 -0.08 -0.51 -0.68 0.00 0.00 175.30 174.62 2tun s LEU 132 N 0.33 3.01 -0.07 2.53 1.02 0.14 -1.93 118.68 123.70 2tun s LEU 132 Ca 0.22 -0.22 -0.03 0.00 0.02 0.00 0.00 54.13 54.12 2tun s LEU 132 Cb -0.15 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.32 2tun s LEU 132 CO 0.08 0.16 0.06 -0.44 0.02 0.00 0.00 176.35 176.24 2tun s SER 133 N 0.39 5.70 -0.03 2.29 0.01 0.13 -1.70 113.70 120.49 2tun s SER 133 Ca -0.07 0.24 -0.08 0.00 1.31 0.00 0.00 55.95 57.35 2tun s SER 133 Cb -0.15 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 2tun s SER 133 CO 0.04 0.36 -0.16 0.00 0.41 0.00 0.00 173.24 173.89 2tun n ALA 134 N 1.81 2.08 0.00 1.44 0.00 -1.26 0.16 120.51 124.74 2tun n ALA 134 Ca -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2tun n ALA 134 Cb 0.54 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2tun n ALA 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2tun n GLU 135 N -3.88 0.00 -3.94 0.00 4.71 -1.26 -3.39 120.64 112.88 2tun n GLU 135 Ca -0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 56.92 2tun n GLU 135 Cb 0.28 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.56 2tun n GLU 135 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 2tun s ILE 136 N 0.00 0.12 -0.04 -3.67 -5.25 -1.26 -2.81 121.20 108.30 2tun s ILE 136 Ca 0.00 -0.00 0.18 0.00 -0.99 0.00 0.00 60.65 59.84 2tun s ILE 136 Cb 0.00 -0.15 0.13 0.00 2.95 0.00 0.00 42.46 45.38 2tun s ILE 136 CO 0.00 0.07 1.59 -0.55 -1.79 0.00 0.00 174.94 174.26 2tun h ASN 137 N 6.51 0.00 -3.42 4.36 -1.07 -1.90 -3.39 115.58 116.68 2tun h ASN 137 Ca -0.32 0.00 -0.67 0.00 0.07 0.00 0.00 56.30 55.38 2tun h ASN 137 Cb 1.18 0.00 -0.38 0.00 -2.07 0.00 0.00 38.32 37.04 2tun h ASN 137 CO 0.50 0.40 -0.34 -0.13 0.07 0.00 0.00 177.43 177.92 2tun s ARG 138 N -3.25 2.80 0.43 4.14 1.81 -1.26 -4.89 118.95 118.73 2tun s ARG 138 Ca 0.03 -3.18 0.23 0.00 -1.72 0.00 0.00 55.73 51.08 2tun s ARG 138 Cb 0.09 -3.69 0.39 0.00 -0.45 0.00 0.00 34.95 31.29 2tun s ARG 138 CO 0.71 -1.25 1.62 -1.00 -0.68 0.00 0.00 175.30 174.70 2tun h PRO 139 N 5.92 0.00 -0.53 3.54 0.13 -1.89 -3.26 132.00 135.92 2tun h PRO 139 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2tun h PRO 139 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2tun h PRO 139 CO 0.78 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 178.21 2tun n ASP 140 N -3.12 0.53 -2.68 1.44 5.75 -1.26 -3.61 116.55 113.60 2tun n ASP 140 Ca 0.03 -1.77 -0.08 0.00 -0.01 0.00 0.00 54.79 52.96 2tun n ASP 140 Cb 0.54 -0.26 0.03 0.00 -1.03 0.00 0.00 41.12 40.39 2tun n ASP 140 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2tun n TYR 141 N -0.17 1.23 -4.87 2.11 4.01 -1.23 -4.82 117.16 113.43 2tun n TYR 141 Ca 0.00 -2.71 -0.33 0.00 -0.16 0.00 0.00 57.90 54.70 2tun n TYR 141 Cb 0.13 -0.35 -0.13 0.00 -0.31 0.00 0.00 39.34 38.68 2tun n TYR 141 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2tun s LEU 142 N -3.22 2.75 -1.49 7.72 1.43 -1.24 -0.23 118.68 124.40 2tun s LEU 142 Ca 0.28 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 2tun s LEU 142 Cb 0.44 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 45.11 2tun s LEU 142 CO 0.02 0.32 2.44 -0.11 0.23 0.00 0.00 176.35 179.25 2tun n LEU 143 N 2.50 7.52 -2.18 1.79 -0.00 -1.18 -4.75 117.00 120.69 2tun n LEU 143 Ca -0.17 -4.30 -0.18 0.00 -0.00 0.00 0.00 56.01 51.36 2tun n LEU 143 Cb 0.52 -1.60 -0.12 0.00 -0.00 0.00 0.00 43.42 42.23 2tun n LEU 143 CO 0.26 1.49 1.58 0.49 -0.00 0.00 0.00 177.39 181.22 2tun n PHE 144 N 4.86 0.68 -0.04 1.96 3.72 -1.26 -3.55 117.46 123.83 2tun n PHE 144 Ca 0.60 -1.67 -0.04 0.00 -0.05 0.00 0.00 57.45 56.28 2tun n PHE 144 Cb 0.33 -1.47 -0.07 0.00 -0.94 0.00 0.00 39.48 37.33 2tun n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2tun n ALA 145 N 1.77 1.79 -3.29 4.37 0.00 -1.26 -4.96 120.51 118.93 2tun n ALA 145 Ca 0.44 -0.56 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 2tun n ALA 145 Cb 0.75 0.07 -0.16 0.00 0.00 0.00 0.00 19.45 20.11 2tun n ALA 145 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2tun s GLU 146 N -2.21 1.86 0.00 0.00 8.01 -1.23 -5.08 118.70 120.05 2tun s GLU 146 Ca -0.05 -0.51 0.00 0.00 0.01 0.00 0.00 54.97 54.42 2tun s GLU 146 Cb 0.03 -1.53 0.00 0.00 -4.31 0.00 0.00 34.13 28.32 2tun s GLU 146 CO 0.35 0.10 0.40 0.45 0.01 0.00 0.00 175.26 176.56 2tun n SER 147 N 3.61 0.00 -2.10 -0.19 2.88 -1.26 -3.93 113.62 112.62 2tun n SER 147 Ca -0.21 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2tun n SER 147 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2tun n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2tun n GLY 148 N -0.65 0.28 0.05 0.46 0.00 -1.26 -2.49 105.19 101.58 2tun n GLY 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2tun n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tun n GLN 149 N 1.54 0.00 -3.41 1.61 -0.00 -1.25 -4.99 117.38 110.88 2tun n GLN 149 Ca 0.00 -0.23 -0.21 0.00 -0.00 0.00 0.00 57.00 56.56 2tun n GLN 149 Cb 0.00 -0.21 -0.10 0.00 -0.00 0.00 0.00 30.24 29.93 2tun n GLN 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2tun s VAL 150 N 0.00 -0.23 0.08 -0.39 0.11 -1.04 -3.38 120.40 115.55 2tun s VAL 150 Ca 0.00 -0.95 -0.11 0.00 -2.93 0.00 0.00 61.98 57.98 2tun s VAL 150 Cb 0.00 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2tun s VAL 150 CO 0.00 -0.64 0.26 -0.72 -3.33 0.00 0.00 175.10 170.66 2tun s TYR 151 N 1.71 0.01 -0.02 1.54 1.13 0.07 -3.43 117.35 118.36 2tun s TYR 151 Ca 0.14 -0.34 0.04 0.00 -1.41 0.00 0.00 57.07 55.50 2tun s TYR 151 Cb -0.16 0.04 -0.01 0.00 -1.10 0.00 0.00 41.96 40.73 2tun s TYR 151 CO -0.15 -0.56 -0.14 0.12 -2.51 0.00 0.00 175.55 172.31 2tun s PHE 152 N -3.45 1.35 -0.28 -3.49 5.36 -0.92 -1.31 117.98 115.24 2tun s PHE 152 Ca 0.01 -0.32 -0.24 0.00 -0.96 0.00 0.00 56.93 55.42 2tun s PHE 152 Cb 0.02 -0.90 0.13 0.00 -0.34 0.00 0.00 43.02 41.94 2tun s PHE 152 CO -0.09 -0.08 1.07 0.20 -1.46 0.00 0.00 175.22 174.86 2tun s GLY 153 N -0.11 -0.10 -0.01 13.12 0.00 -0.69 -0.84 107.32 118.70 2tun s GLY 153 Ca 0.01 2.79 0.02 0.00 0.00 0.00 0.00 44.72 47.53 2tun s GLY 153 CO 0.00 1.89 -0.06 -0.26 0.00 0.00 0.00 173.10 174.67 2tun s ILE 154 N 0.27 0.50 -0.04 0.90 -4.36 -0.23 -1.42 121.20 116.83 2tun s ILE 154 Ca 0.03 -0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.17 2tun s ILE 154 Cb -0.05 -0.43 0.02 0.00 1.25 0.00 0.00 42.46 43.25 2tun s ILE 154 CO -0.08 0.14 -0.06 -0.51 0.24 0.00 0.00 174.94 174.68 2tun s ILE 155 N -0.12 0.62 0.32 8.37 2.07 -0.62 -1.30 121.20 130.54 2tun s ILE 155 Ca 0.02 -0.20 -0.22 0.00 -1.41 0.00 0.00 60.65 58.84 2tun s ILE 155 Cb -0.03 -0.61 -0.10 0.00 0.13 0.00 0.00 42.46 41.85 2tun s ILE 155 CO -0.00 0.23 0.86 0.00 -1.91 0.00 0.00 174.94 174.12 2tun s ALA 156 N 0.71 3.24 0.00 1.50 0.00 -1.08 0.36 121.76 126.49 2tun s ALA 156 Ca -0.10 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2tun s ALA 156 Cb -0.13 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2tun s ALA 156 CO 0.01 0.22 0.03 1.28 0.00 0.00 0.00 175.76 177.30