#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tun s PRO 8 N 0.00 3.80 0.50 -0.78 0.05 -1.26 -5.03 135.00 132.29 2tun s PRO 8 Ca 0.00 0.24 0.00 0.00 0.05 0.00 0.00 61.00 61.29 2tun s PRO 8 Cb 0.00 -2.98 0.00 0.00 0.05 0.00 0.00 34.50 31.57 2tun s PRO 8 CO 0.00 0.54 0.00 -1.13 0.05 0.00 0.00 177.00 176.46 2tun n SER 9 N 0.86 -0.55 -1.84 6.66 3.41 -1.26 -4.24 113.62 116.67 2tun n SER 9 Ca -0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 2tun n SER 9 Cb 0.52 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.70 2tun n SER 9 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2tun n ASP 10 N -3.83 3.81 -4.56 4.04 8.00 -1.26 -4.91 116.55 117.84 2tun n ASP 10 Ca 0.00 -3.49 -0.42 0.00 0.71 0.00 0.00 54.79 51.58 2tun n ASP 10 Cb 0.00 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.30 2tun n ASP 10 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2tun s LYS 11 N -3.17 3.57 -0.54 -1.24 1.02 -1.26 -4.80 119.74 113.32 2tun s LYS 11 Ca 0.53 0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.30 2tun s LYS 11 Cb 0.44 -3.87 -0.08 0.00 -0.52 0.00 0.00 37.83 33.80 2tun s LYS 11 CO 0.09 -0.94 2.44 -2.30 -0.92 0.00 0.00 175.35 173.72 2tun n PRO 12 N 6.45 0.94 -4.21 -1.68 -0.02 -1.26 -4.64 135.00 130.58 2tun n PRO 12 Ca 0.02 -0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.16 2tun n PRO 12 Cb 0.48 -3.31 -0.09 0.00 -0.02 0.00 0.00 33.50 30.56 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 12.09 3.55 -0.30 -1.45 -7.23 -1.25 -2.28 120.40 123.52 2tun s VAL 13 Ca 1.01 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.97 2tun s VAL 13 Cb -0.25 -2.66 0.19 0.00 0.56 0.00 0.00 36.38 34.21 2tun s VAL 13 CO 0.27 0.12 0.78 0.00 -0.31 0.00 0.00 175.10 175.97 2tun s ALA 14 N -1.23 -2.96 -0.31 1.32 0.00 -0.74 -2.19 121.76 115.65 2tun s ALA 14 Ca 0.22 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.50 2tun s ALA 14 Cb -0.11 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.51 2tun s ALA 14 CO 0.15 -1.74 0.03 -1.58 0.00 0.00 0.00 175.76 172.61 2tun s HIS 15 N 2.89 3.25 0.09 0.00 2.46 -1.02 -2.73 115.29 120.23 2tun s HIS 15 Ca 0.15 -1.70 0.09 0.00 0.47 0.00 0.00 55.06 54.06 2tun s HIS 15 Cb -0.09 -2.15 -0.03 0.00 -0.13 0.00 0.00 32.58 30.17 2tun s HIS 15 CO -0.22 -0.77 -0.22 0.14 -2.47 0.00 0.00 174.74 171.19 2tun s VAL 16 N 1.31 1.84 0.56 0.89 -7.23 -0.70 -3.36 120.40 113.71 2tun s VAL 16 Ca -0.04 -1.51 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 2tun s VAL 16 Cb -0.19 -1.64 0.05 0.00 0.56 0.00 0.00 36.38 35.16 2tun s VAL 16 CO -0.00 0.05 0.45 0.68 -0.31 0.00 0.00 175.10 175.97 2tun s VAL 17 N -1.05 1.63 -0.06 1.32 -7.23 0.27 -1.88 120.40 113.40 2tun s VAL 17 Ca 0.08 -1.44 -0.14 0.00 -1.81 0.00 0.00 61.98 58.67 2tun s VAL 17 Cb -0.10 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 2tun s VAL 17 CO 0.04 0.00 0.37 0.00 -0.31 0.00 0.00 175.10 175.20 2tun s ALA 18 N -2.78 3.66 -0.61 1.32 0.00 -1.26 0.90 121.76 122.99 2tun s ALA 18 Ca 0.36 -0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 2tun s ALA 18 Cb -0.03 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.73 2tun s ALA 18 CO 0.23 0.35 1.31 1.21 0.00 0.00 0.00 175.76 178.85 2tun s ASN 19 N -0.54 6.24 0.39 0.00 2.47 0.26 -4.82 114.94 118.95 2tun s ASN 19 Ca 0.22 0.04 0.13 0.00 0.42 0.00 0.00 52.86 53.66 2tun s ASN 19 Cb -0.15 -2.55 0.95 0.00 -1.45 0.00 0.00 41.25 38.04 2tun s ASN 19 CO 0.10 -1.67 1.89 -0.65 -3.72 0.00 0.00 177.10 173.05 2tun h PRO 20 N 10.31 0.52 -2.71 0.43 0.11 -1.94 -2.96 132.00 135.78 2tun h PRO 20 Ca -0.26 -0.03 -0.77 0.00 0.11 0.00 0.00 66.00 65.05 2tun h PRO 20 Cb 1.07 -0.12 -0.19 0.00 0.11 0.00 0.00 31.00 31.88 2tun h PRO 20 CO 1.21 0.35 1.80 0.94 -0.21 0.00 0.00 178.00 182.09 2tun n GLN 21 N -4.52 4.65 -2.71 1.05 7.27 -1.26 -4.42 117.38 117.44 2tun n GLN 21 Ca 0.16 -3.92 -0.08 0.00 0.07 0.00 0.00 57.00 53.23 2tun n GLN 21 Cb 0.52 -2.62 0.08 0.00 2.41 0.00 0.00 30.24 30.63 2tun n GLN 21 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2tun n ALA 22 N 1.57 1.72 -0.77 1.69 0.00 -1.12 -5.10 120.51 118.50 2tun n ALA 22 Ca 0.50 -1.93 -0.30 0.00 0.00 0.00 0.00 53.44 51.72 2tun n ALA 22 Cb 0.28 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 2tun n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2tun n GLU 23 N -0.32 0.00 -3.96 0.00 2.13 -1.26 -0.90 120.64 116.33 2tun n GLU 23 Ca 0.02 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.57 2tun n GLU 23 Cb 0.82 -0.70 -0.01 0.00 0.27 0.00 0.00 31.44 31.82 2tun n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2tun n GLY 24 N 1.44 -0.30 3.64 8.31 0.00 -1.26 -4.97 105.19 112.05 2tun n GLY 24 Ca 0.13 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 2tun n GLY 24 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2tun s GLN 25 N -6.54 0.51 -0.91 1.61 0.74 -0.08 -4.92 119.66 110.07 2tun s GLN 25 Ca 0.21 0.86 -0.19 0.00 0.05 0.00 0.00 55.36 56.29 2tun s GLN 25 Cb -0.11 0.11 0.13 0.00 1.10 0.00 0.00 33.01 34.24 2tun s GLN 25 CO 0.88 -0.10 1.11 -1.17 -0.55 0.00 0.00 175.29 175.46 2tun s LEU 26 N 1.36 5.03 -0.23 3.68 1.98 -1.26 -4.67 118.68 124.57 2tun s LEU 26 Ca -0.09 -1.98 -0.18 0.00 -2.89 0.00 0.00 54.13 48.99 2tun s LEU 26 Cb -0.04 -2.40 -0.03 0.00 0.66 0.00 0.00 46.19 44.38 2tun s LEU 26 CO -0.16 -1.08 0.50 -1.10 -1.89 0.00 0.00 176.35 172.62 2tun s GLN 27 N 2.75 4.12 -0.22 1.98 -1.52 -1.26 -4.97 119.66 120.54 2tun s GLN 27 Ca 0.32 0.34 -0.23 0.00 -1.95 0.00 0.00 55.36 53.84 2tun s GLN 27 Cb -0.06 -3.61 -0.01 0.00 -0.22 0.00 0.00 33.01 29.11 2tun s GLN 27 CO -0.08 -0.25 0.74 -1.58 -0.25 0.00 0.00 175.29 173.87 2tun s TRP 28 N 1.97 3.34 0.09 0.91 0.52 -1.26 0.89 118.94 125.40 2tun s TRP 28 Ca 0.22 1.05 0.10 0.00 0.02 0.00 0.00 56.10 57.48 2tun s TRP 28 Cb -0.15 -2.94 -0.03 0.00 -1.15 0.00 0.00 33.47 29.19 2tun s TRP 28 CO 0.09 -0.30 -0.25 -0.51 0.02 0.00 0.00 176.95 176.00 2tun s LEU 29 N 2.42 2.26 0.00 2.99 2.01 0.26 -4.84 118.68 123.78 2tun s LEU 29 Ca 0.32 -0.68 0.00 0.00 0.01 0.00 0.00 54.13 53.79 2tun s LEU 29 Cb -0.16 -1.16 0.00 0.00 0.01 0.00 0.00 46.19 44.88 2tun s LEU 29 CO 0.09 0.18 0.00 -0.46 1.01 0.00 0.00 176.35 177.17 2tun n ASN 30 N 1.26 0.13 -2.49 2.29 0.23 -1.26 -0.57 115.26 114.84 2tun n ASN 30 Ca -0.18 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 53.87 2tun n ASN 30 Cb 0.53 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.23 2tun n ASN 30 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2tun n ARG 31 N 0.00 -2.97 -2.95 -3.83 0.00 -1.26 -4.90 116.66 100.75 2tun n ARG 31 Ca 0.00 0.02 -0.18 0.00 -0.00 0.00 0.00 57.85 57.69 2tun n ARG 31 Cb 0.00 -4.52 0.02 0.00 -0.00 0.00 0.00 32.46 27.96 2tun n ARG 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2tun n ARG 32 N -2.50 0.82 -0.35 2.89 5.12 -1.26 -4.95 116.66 116.42 2tun n ARG 32 Ca -0.00 -2.48 0.27 0.00 -1.93 0.00 0.00 57.85 53.70 2tun n ARG 32 Cb 0.50 0.10 0.42 0.00 -1.16 0.00 0.00 32.46 32.32 2tun n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2tun n ALA 33 N -2.28 0.94 -2.67 7.54 0.00 -1.26 -1.81 120.51 120.97 2tun n ALA 33 Ca -0.12 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.68 2tun n ALA 33 Cb 0.46 -0.60 0.13 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.24 -1.48 -4.64 0.00 2.85 -1.26 -5.11 115.26 102.39 2tun n ASN 34 Ca 0.23 -2.23 -0.43 0.00 -0.11 0.00 0.00 54.58 52.05 2tun n ASN 34 Cb 1.02 0.70 -0.02 0.00 1.24 0.00 0.00 39.78 42.72 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 0.12 3.45 -0.24 5.20 0.00 -0.75 -4.70 121.76 124.84 2tun s ALA 35 Ca 0.10 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 2tun s ALA 35 Cb 0.45 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2tun s ALA 35 CO -0.13 -1.60 0.07 -0.51 0.00 0.00 0.00 175.76 173.59 2tun s LEU 36 N 4.25 3.49 -0.39 0.00 1.43 -1.21 -4.75 118.68 121.49 2tun s LEU 36 Ca 0.60 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2tun s LEU 36 Cb -0.21 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.20 2tun s LEU 36 CO 0.22 -0.00 0.16 -0.76 0.23 0.00 0.00 176.35 176.19 2tun s LEU 37 N 1.43 3.34 0.00 1.79 2.01 -1.26 -2.42 118.68 123.58 2tun s LEU 37 Ca 0.05 -2.30 -0.03 0.00 0.01 0.00 0.00 54.13 51.87 2tun s LEU 37 Cb -0.15 -1.23 0.07 0.00 0.01 0.00 0.00 46.19 44.89 2tun s LEU 37 CO 0.04 -0.33 0.44 0.00 1.01 0.00 0.00 176.35 177.50 2tun n ALA 38 N 4.01 -0.21 -1.55 4.21 0.00 -0.93 -4.95 120.51 121.08 2tun n ALA 38 Ca 0.04 -0.71 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 2tun n ALA 38 Cb 0.38 0.06 -0.06 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 -3.12 1.84 0.00 0.00 4.13 -1.26 -1.91 115.26 114.93 2tun n ASN 39 Ca 0.06 -1.15 0.00 0.00 1.68 0.00 0.00 54.58 55.18 2tun n ASN 39 Cb 0.22 -1.60 0.00 0.00 -1.54 0.00 0.00 39.78 36.87 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 6.53 0.67 3.67 7.41 0.00 -1.26 -4.56 105.19 117.65 2tun n GLY 40 Ca 0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 2tun n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tun s VAL 41 N -2.59 4.17 -0.17 1.61 1.01 -0.80 -3.96 120.40 119.66 2tun s VAL 41 Ca 0.00 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.45 2tun s VAL 41 Cb 0.00 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2tun s VAL 41 CO 0.00 -0.06 -0.17 -0.70 0.00 0.00 0.00 175.10 174.16 2tun s GLU 42 N 2.88 2.69 -0.53 2.72 2.56 -1.24 -4.74 118.70 123.04 2tun s GLU 42 Ca 0.57 -0.72 -0.18 0.00 0.00 0.00 0.00 54.97 54.64 2tun s GLU 42 Cb -0.25 -2.38 0.08 0.00 2.00 0.00 0.00 34.13 33.58 2tun s GLU 42 CO 0.20 -0.23 0.59 -1.17 -0.56 0.00 0.00 175.26 174.09 2tun s LEU 43 N 1.37 5.31 0.00 2.70 1.98 -1.26 -2.91 118.68 125.87 2tun s LEU 43 Ca 0.05 -1.20 0.00 0.00 -2.89 0.00 0.00 54.13 50.08 2tun s LEU 43 Cb -0.13 -2.34 0.00 0.00 0.66 0.00 0.00 46.19 44.38 2tun s LEU 43 CO -0.12 -0.90 0.00 0.54 -1.89 0.00 0.00 176.35 173.98 2tun n ARG 44 N 5.95 0.00 -2.12 1.98 5.12 -1.24 -4.94 116.66 121.40 2tun n ARG 44 Ca -0.09 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.41 2tun n ARG 44 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 2tun n ARG 44 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2tun n ASP 45 N 0.00 5.52 0.00 0.55 8.00 -1.26 -4.74 116.55 124.62 2tun n ASP 45 Ca 0.00 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.46 2tun n ASP 45 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.61 2tun n ASP 45 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2tun n ASN 46 N 3.89 0.00 -4.78 -2.24 3.02 -1.26 -4.93 115.26 108.96 2tun n ASN 46 Ca 0.47 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.66 2tun n ASN 46 Cb 0.34 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 2tun n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2tun s GLN 47 N 0.00 3.81 -0.13 3.52 -2.07 -1.26 -4.78 119.66 118.75 2tun s GLN 47 Ca 0.00 1.66 -0.13 0.00 -1.82 0.00 0.00 55.36 55.06 2tun s GLN 47 Cb 0.00 -2.37 -0.05 0.00 -1.09 0.00 0.00 33.01 29.51 2tun s GLN 47 CO 0.00 -0.48 0.30 -0.51 -1.32 0.00 0.00 175.29 173.29 2tun s LEU 48 N -3.06 4.29 -0.18 2.60 2.01 -1.00 -3.70 118.68 119.64 2tun s LEU 48 Ca 0.64 0.58 -0.17 0.00 0.01 0.00 0.00 54.13 55.18 2tun s LEU 48 Cb -0.25 -2.39 -0.04 0.00 0.01 0.00 0.00 46.19 43.52 2tun s LEU 48 CO 0.31 0.15 0.46 -0.69 1.01 0.00 0.00 176.35 177.59 2tun s VAL 49 N 0.13 5.16 0.05 -1.59 1.01 -1.15 -0.27 120.40 123.75 2tun s VAL 49 Ca 0.18 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.73 2tun s VAL 49 Cb -0.13 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2tun s VAL 49 CO 0.05 0.25 0.95 -0.69 0.00 0.00 0.00 175.10 175.66 2tun s VAL 50 N 1.23 4.69 -0.00 2.92 1.01 -1.23 -3.67 120.40 125.35 2tun s VAL 50 Ca 0.23 2.02 -0.01 0.00 0.00 0.00 0.00 61.98 64.22 2tun s VAL 50 Cb -0.15 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2tun s VAL 50 CO 0.09 0.25 0.46 -0.65 0.00 0.00 0.00 175.10 175.25 2tun h PRO 51 N 6.14 -0.03 0.00 2.72 0.11 -1.88 -3.11 132.00 135.95 2tun h PRO 51 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2tun h PRO 51 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2tun h PRO 51 CO 0.73 -0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 2tun n SER 52 N -2.18 0.00 -3.60 -2.05 3.41 -1.26 -4.79 113.62 103.15 2tun n SER 52 Ca -0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.56 2tun n SER 52 Cb 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 2tun n SER 52 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2tun s GLU 53 N 1.60 0.31 0.02 4.33 2.12 -1.26 -2.81 118.70 123.01 2tun s GLU 53 Ca 0.00 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2tun s GLU 53 Cb 0.00 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2tun s GLU 53 CO 0.00 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 2tun n GLY 54 N -0.11 1.01 3.61 -1.50 0.00 -1.10 -4.97 105.19 102.13 2tun n GLY 54 Ca 0.00 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 2tun n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tun s LEU 55 N 0.00 3.57 -0.02 0.99 1.02 -1.26 -4.09 118.68 118.89 2tun s LEU 55 Ca 0.00 1.50 0.01 0.00 0.02 0.00 0.00 54.13 55.66 2tun s LEU 55 Cb 0.00 -3.52 0.01 0.00 0.02 0.00 0.00 46.19 42.70 2tun s LEU 55 CO 0.00 -1.67 -0.03 -0.31 0.02 0.00 0.00 176.35 174.35 2tun s TYR 56 N 6.84 0.46 -0.26 0.29 2.02 -1.13 -1.57 117.35 124.00 2tun s TYR 56 Ca 0.83 -0.08 -0.06 0.00 -0.37 0.00 0.00 57.07 57.38 2tun s TYR 56 Cb -0.25 -0.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 2tun s TYR 56 CO 0.34 -0.08 0.05 -1.17 -1.57 0.00 0.00 175.55 173.12 2tun s LEU 57 N 0.39 3.47 -0.27 -1.29 0.20 -0.40 -1.21 118.68 119.57 2tun s LEU 57 Ca -0.04 -0.45 -0.06 0.00 0.69 0.00 0.00 54.13 54.27 2tun s LEU 57 Cb -0.08 -1.86 -0.00 0.00 -0.43 0.00 0.00 46.19 43.82 2tun s LEU 57 CO -0.00 -0.09 0.04 -0.63 -0.29 0.00 0.00 176.35 175.38 2tun s ILE 58 N 1.54 3.84 0.04 6.68 1.09 0.04 -2.86 121.20 131.57 2tun s ILE 58 Ca 0.05 -0.56 0.03 0.00 -1.10 0.00 0.00 60.65 59.06 2tun s ILE 58 Cb -0.16 -2.89 -0.02 0.00 -1.06 0.00 0.00 42.46 38.33 2tun s ILE 58 CO 0.02 0.21 -0.09 -0.72 -0.10 0.00 0.00 174.94 174.26 2tun s TYR 59 N 1.51 0.78 -0.28 3.97 -0.85 -0.96 -0.32 117.35 121.20 2tun s TYR 59 Ca 0.04 -0.40 -0.21 0.00 -0.52 0.00 0.00 57.07 55.98 2tun s TYR 59 Cb -0.16 -0.46 0.10 0.00 0.38 0.00 0.00 41.96 41.82 2tun s TYR 59 CO 0.01 -0.04 0.86 0.45 -1.52 0.00 0.00 175.55 175.32 2tun s SER 60 N -1.26 -0.65 0.08 -0.18 0.15 -0.11 -0.78 113.70 110.95 2tun s SER 60 Ca -0.05 1.15 0.07 0.00 0.70 0.00 0.00 55.95 57.83 2tun s SER 60 Cb -0.08 1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 2tun s SER 60 CO 0.01 -0.19 -0.15 -1.58 1.20 0.00 0.00 173.24 172.53 2tun s GLN 61 N 0.83 2.04 -0.21 5.44 0.74 -1.10 0.89 119.66 128.30 2tun s GLN 61 Ca -0.03 -1.03 -0.04 0.00 0.05 0.00 0.00 55.36 54.30 2tun s GLN 61 Cb -0.05 -2.23 0.08 0.00 1.10 0.00 0.00 33.01 31.92 2tun s GLN 61 CO -0.09 0.52 0.16 0.14 -0.55 0.00 0.00 175.29 175.46 2tun s VAL 62 N -1.08 -0.19 -1.17 1.34 -7.23 0.68 -3.18 120.40 109.56 2tun s VAL 62 Ca 0.18 -0.25 -0.20 0.00 -1.81 0.00 0.00 61.98 59.90 2tun s VAL 62 Cb -0.11 -0.70 0.07 0.00 0.56 0.00 0.00 36.38 36.20 2tun s VAL 62 CO 0.09 -0.33 1.59 -0.76 -0.31 0.00 0.00 175.10 175.39 2tun s LEU 63 N 2.22 3.76 -0.70 1.32 1.43 -1.19 -0.50 118.68 125.02 2tun s LEU 63 Ca 0.05 -2.03 -0.27 0.00 -1.03 0.00 0.00 54.13 50.85 2tun s LEU 63 Cb -0.16 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.53 2tun s LEU 63 CO -0.16 -1.30 1.28 -0.36 0.23 0.00 0.00 176.35 176.04 2tun s PHE 64 N 4.43 2.34 0.28 0.29 0.08 -1.25 -2.69 117.98 121.45 2tun s PHE 64 Ca 0.50 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.65 2tun s PHE 64 Cb 0.02 -4.59 -0.03 0.00 -0.57 0.00 0.00 43.02 37.85 2tun s PHE 64 CO -0.00 -1.98 0.44 0.21 -0.10 0.00 0.00 175.22 173.79 2tun s LYS 65 N 5.60 3.47 -0.23 0.44 2.20 -0.64 -0.20 119.74 130.38 2tun s LYS 65 Ca 0.38 -0.53 -0.19 0.00 -0.36 0.00 0.00 55.97 55.27 2tun s LYS 65 Cb -0.08 -2.79 0.06 0.00 -1.51 0.00 0.00 37.83 33.51 2tun s LYS 65 CO 0.18 0.31 0.59 0.20 -0.36 0.00 0.00 175.35 176.27 2tun s GLY 66 N -3.88 -0.47 -0.06 5.54 0.00 0.51 -4.52 107.32 104.44 2tun s GLY 66 Ca 0.37 1.79 0.18 0.00 0.00 0.00 0.00 44.72 47.06 2tun s GLY 66 CO 0.32 1.63 1.51 -0.18 0.00 0.00 0.00 173.10 176.38 2tun n GLN 67 N 3.16 3.02 0.00 2.90 7.27 -1.26 -0.15 117.38 132.32 2tun n GLN 67 Ca -0.16 -2.45 0.00 0.00 0.07 0.00 0.00 57.00 54.47 2tun n GLN 67 Cb 0.56 -1.68 0.00 0.00 2.41 0.00 0.00 30.24 31.53 2tun n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2tun n GLY 68 N 1.26 2.75 3.45 1.69 0.00 -1.25 -3.80 105.19 109.30 2tun n GLY 68 Ca 0.22 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 4.76 0.00 -4.26 0.00 -0.04 -1.26 -4.42 135.00 129.78 2tun n PRO 70 Ca -0.16 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 2tun n PRO 70 Cb 0.51 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 2tun n PRO 70 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2tun s SER 71 N -1.00 4.62 0.10 3.54 0.01 -1.26 -4.73 113.70 114.98 2tun s SER 71 Ca 0.00 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2tun s SER 71 Cb 0.00 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.33 2tun s SER 71 CO 0.00 0.03 0.00 1.07 0.41 0.00 0.00 173.24 174.75 2tun n THR 72 N -0.62 0.00 -2.90 1.44 5.66 -1.26 -4.37 114.28 112.24 2tun n THR 72 Ca -0.08 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.49 2tun n THR 72 Cb 0.58 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.31 2tun n THR 72 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2tun s HIS 73 N 0.00 2.83 0.09 1.09 2.46 -1.26 -4.66 115.29 115.84 2tun s HIS 73 Ca 0.00 -0.16 -0.17 0.00 0.47 0.00 0.00 55.06 55.19 2tun s HIS 73 Cb 0.00 -3.99 -0.04 0.00 -0.13 0.00 0.00 32.58 28.41 2tun s HIS 73 CO 0.00 -1.32 1.30 -0.39 -2.47 0.00 0.00 174.74 171.86 2tun h VAL 74 N 5.99 0.00 -5.85 0.89 -1.51 -1.79 -3.48 116.25 110.49 2tun h VAL 74 Ca -0.27 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 64.85 2tun h VAL 74 Cb 1.08 0.00 0.13 0.00 -2.13 0.00 0.00 31.29 30.37 2tun h VAL 74 CO 1.07 0.00 -0.87 -0.11 -1.23 0.00 0.00 177.57 176.43 2tun n LEU 75 N -4.23 -4.08 -4.55 4.19 7.94 -1.26 -4.95 117.00 110.05 2tun n LEU 75 Ca 0.01 -0.83 -0.43 0.00 -1.11 0.00 0.00 56.01 53.65 2tun n LEU 75 Cb 0.15 -2.82 -0.04 0.00 0.53 0.00 0.00 43.42 41.24 2tun n LEU 75 CO -0.07 0.31 0.81 -0.76 -1.11 0.00 0.00 177.39 176.57 2tun s LEU 76 N -6.08 3.94 0.26 -1.96 2.01 -1.11 -4.93 118.68 110.81 2tun s LEU 76 Ca 0.34 -0.04 0.06 0.00 0.01 0.00 0.00 54.13 54.50 2tun s LEU 76 Cb -0.08 -3.08 -0.03 0.00 0.01 0.00 0.00 46.19 43.01 2tun s LEU 76 CO 0.79 -1.19 0.30 0.42 1.01 0.00 0.00 176.35 177.69 2tun s THR 77 N 4.04 4.65 -0.17 5.49 -4.23 -1.26 -1.33 115.64 122.83 2tun s THR 77 Ca 0.36 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 2tun s THR 77 Cb -0.10 -3.57 0.08 0.00 1.34 0.00 0.00 72.50 70.24 2tun s THR 77 CO 0.24 -0.30 0.19 -2.28 -0.54 0.00 0.00 174.62 171.92 2tun s HIS 78 N -2.09 -0.18 0.01 3.99 2.46 0.48 -3.40 115.29 116.55 2tun s HIS 78 Ca 0.35 0.22 0.07 0.00 0.47 0.00 0.00 55.06 56.18 2tun s HIS 78 Cb -0.08 -0.39 -0.02 0.00 -0.13 0.00 0.00 32.58 31.96 2tun s HIS 78 CO 0.27 -0.52 -0.22 0.99 -2.47 0.00 0.00 174.74 172.80 2tun s THR 79 N 2.29 1.75 -0.14 0.89 2.01 -0.19 -0.20 115.64 122.05 2tun s THR 79 Ca 0.05 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 2tun s THR 79 Cb -0.15 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 70.92 2tun s THR 79 CO -0.10 0.40 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.52 2tun s ILE 80 N -0.62 1.14 0.10 1.82 1.01 0.17 -1.30 121.20 123.53 2tun s ILE 80 Ca 0.08 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2tun s ILE 80 Cb -0.09 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 2tun s ILE 80 CO 0.00 0.28 -0.11 -0.94 0.00 0.00 0.00 174.94 174.17 2tun s SER 81 N 1.64 1.60 -0.14 3.58 1.04 -0.72 0.27 113.70 120.97 2tun s SER 81 Ca 0.03 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.68 2tun s SER 81 Cb -0.14 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 65.97 2tun s SER 81 CO -0.08 -0.22 -0.20 -0.60 0.98 0.00 0.00 173.24 173.11 2tun s ARG 82 N -2.72 3.09 -0.39 4.02 3.52 -0.16 -0.25 118.95 126.05 2tun s ARG 82 Ca 0.06 -0.82 -0.04 0.00 -0.13 0.00 0.00 55.73 54.79 2tun s ARG 82 Cb -0.04 -2.49 0.09 0.00 -1.56 0.00 0.00 34.95 30.95 2tun s ARG 82 CO 0.01 0.01 0.18 -1.50 -0.81 0.00 0.00 175.30 173.18 2tun s ILE 83 N 0.78 3.49 0.71 4.11 2.07 -0.77 -1.24 121.20 130.35 2tun s ILE 83 Ca -0.07 -1.72 0.00 0.00 -1.41 0.00 0.00 60.65 57.45 2tun s ILE 83 Cb -0.16 -3.23 0.14 0.00 0.13 0.00 0.00 42.46 39.34 2tun s ILE 83 CO -0.01 -0.51 0.98 1.33 -1.91 0.00 0.00 174.94 174.82 2tun n VAL 84 N 4.69 0.00 -2.79 4.00 0.24 -1.24 -1.27 118.33 121.97 2tun n VAL 84 Ca -0.07 -1.57 -0.26 0.00 -2.04 0.00 0.00 64.34 60.40 2tun n VAL 84 Cb 0.42 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 2tun n VAL 84 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2tun s VAL 85 N -3.03 4.62 0.00 3.34 0.11 -1.18 -2.80 120.40 121.45 2tun s VAL 85 Ca 0.65 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 2tun s VAL 85 Cb -0.04 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 2tun s VAL 85 CO 0.43 -0.66 0.00 -0.24 -3.33 0.00 0.00 175.10 171.30 2tun n SER 86 N -2.20 0.00 -4.24 3.54 2.88 -1.26 -4.55 113.62 107.80 2tun n SER 86 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2tun n SER 86 Cb 0.56 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 2tun n SER 86 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2tun s TYR 87 N 0.00 3.88 -0.93 0.66 2.02 -1.26 -5.00 117.35 116.71 2tun s TYR 87 Ca 0.00 -2.57 -0.22 0.00 -0.37 0.00 0.00 57.07 53.91 2tun s TYR 87 Cb 0.00 -3.58 -0.13 0.00 -0.40 0.00 0.00 41.96 37.86 2tun s TYR 87 CO 0.00 -0.89 1.93 1.04 -1.57 0.00 0.00 175.55 176.05 2tun n GLN 88 N 3.13 1.59 -3.57 -0.62 1.13 -1.12 -3.61 117.38 114.31 2tun n GLN 88 Ca 0.17 -2.10 -0.14 0.00 -1.94 0.00 0.00 57.00 52.99 2tun n GLN 88 Cb 0.41 -3.21 -0.06 0.00 0.11 0.00 0.00 30.24 27.49 2tun n GLN 88 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2tun s THR 89 N 7.01 0.00 -0.84 5.09 -1.32 -1.26 -4.96 115.64 119.36 2tun s THR 89 Ca 0.61 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.83 2tun s THR 89 Cb 0.09 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.11 2tun s THR 89 CO 0.12 0.00 1.39 -1.59 -2.21 0.00 0.00 174.62 172.33 2tun s LYS 90 N -0.77 3.29 -0.28 7.08 -2.85 -1.26 -3.92 119.74 121.03 2tun s LYS 90 Ca -0.05 -0.52 -0.18 0.00 -1.00 0.00 0.00 55.97 54.22 2tun s LYS 90 Cb -0.01 -4.64 -0.02 0.00 -2.06 0.00 0.00 37.83 31.09 2tun s LYS 90 CO 0.05 -2.24 0.54 0.08 0.10 0.00 0.00 175.35 173.88 2tun s VAL 91 N 5.76 5.03 0.71 1.79 1.01 -0.38 -4.85 120.40 129.47 2tun s VAL 91 Ca 0.42 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 63.03 2tun s VAL 91 Cb -0.05 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2tun s VAL 91 CO 0.06 -0.01 1.15 -3.20 0.00 0.00 0.00 175.10 173.11 2tun n ASN 92 N 5.64 1.27 0.00 3.32 4.05 -1.26 -0.99 115.26 127.29 2tun n ASN 92 Ca -0.04 0.72 -0.00 0.00 0.45 0.00 0.00 54.58 55.71 2tun n ASN 92 Cb 0.49 -1.49 -0.00 0.00 1.23 0.00 0.00 39.78 40.01 2tun n ASN 92 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2tun n LEU 93 N -2.10 0.09 -4.35 1.20 4.77 0.56 -4.72 117.00 112.44 2tun n LEU 93 Ca 0.14 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.92 2tun n LEU 93 Cb 0.49 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 2tun n LEU 93 CO 0.48 -0.51 -0.48 -0.76 -1.33 0.00 0.00 177.39 174.79 2tun s LEU 94 N -5.15 2.48 0.08 2.23 1.43 0.14 -5.00 118.68 114.89 2tun s LEU 94 Ca -0.00 -0.91 -0.26 0.00 -1.03 0.00 0.00 54.13 51.92 2tun s LEU 94 Cb 0.00 -0.84 0.07 0.00 0.03 0.00 0.00 46.19 45.45 2tun s LEU 94 CO 0.01 -0.05 0.65 -0.44 0.23 0.00 0.00 176.35 176.75 2tun s SER 95 N -2.90 -0.58 -0.28 2.29 0.01 -1.26 0.45 113.70 111.43 2tun s SER 95 Ca 0.19 0.23 -0.25 0.00 1.31 0.00 0.00 55.95 57.43 2tun s SER 95 Cb -0.05 0.56 0.14 0.00 0.21 0.00 0.00 66.02 66.88 2tun s SER 95 CO 0.08 -0.82 1.14 0.00 0.41 0.00 0.00 173.24 174.04 2tun s ALA 96 N -2.85 -2.03 -0.10 1.44 0.00 0.71 -4.97 121.76 113.96 2tun s ALA 96 Ca -0.03 1.82 -0.01 0.00 0.00 0.00 0.00 51.96 53.75 2tun s ALA 96 Cb -0.01 -1.50 0.03 0.00 0.00 0.00 0.00 23.12 21.64 2tun s ALA 96 CO -0.05 -0.20 -0.06 0.42 0.00 0.00 0.00 175.76 175.86 2tun s ILE 97 N 0.12 0.88 0.12 0.00 1.09 -1.26 0.18 121.20 122.33 2tun s ILE 97 Ca 0.04 -0.20 0.09 0.00 -1.10 0.00 0.00 60.65 59.48 2tun s ILE 97 Cb -0.05 -0.92 -0.04 0.00 -1.06 0.00 0.00 42.46 40.39 2tun s ILE 97 CO -0.08 0.34 -0.18 -0.75 -0.10 0.00 0.00 174.94 174.17 2tun s LYS 98 N 1.74 1.79 -0.28 2.79 2.20 -0.44 -4.96 119.74 122.57 2tun s LYS 98 Ca 0.04 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 54.49 2tun s LYS 98 Cb -0.13 -2.12 0.08 0.00 -1.51 0.00 0.00 37.83 34.16 2tun s LYS 98 CO -0.07 0.48 0.03 0.45 -0.36 0.00 0.00 175.35 175.88 2tun s SER 99 N -2.15 4.08 -0.05 1.43 0.15 -1.26 -2.76 113.70 113.14 2tun s SER 99 Ca 0.18 -1.55 -0.09 0.00 0.70 0.00 0.00 55.95 55.19 2tun s SER 99 Cb -0.11 -1.14 -0.05 0.00 -1.71 0.00 0.00 66.02 63.01 2tun s SER 99 CO 0.10 -0.34 0.43 1.55 1.20 0.00 0.00 173.24 176.19 2tun h PRO 100 N 7.93 -0.32 -6.19 5.44 0.13 -1.98 -3.45 132.00 133.56 2tun h PRO 100 Ca -0.13 0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.44 2tun h PRO 100 Cb 1.04 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2tun h PRO 100 CO 0.45 -0.22 1.32 0.00 -0.23 0.00 0.00 178.00 179.33 2tun n GLN 102 N 8.39 3.11 0.00 0.00 -0.06 -1.26 -4.52 117.38 123.04 2tun n GLN 102 Ca 0.24 -4.52 0.00 0.00 -2.00 0.00 0.00 57.00 50.72 2tun n GLN 102 Cb 0.46 -2.16 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 2tun n GLN 102 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2tun n ARG 103 N -0.33 0.00 0.00 3.69 3.00 -1.26 -4.81 116.66 116.95 2tun n ARG 103 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.18 2tun n ARG 103 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 2tun n ARG 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2tun n GLU 104 N 0.00 0.00 0.00 5.56 4.07 -1.26 -4.81 120.64 124.20 2tun n GLU 104 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2tun n GLU 104 Cb 0.00 -0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2tun n GLU 104 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2tun n THR 105 N 0.00 0.00 1.16 6.31 -1.04 -1.26 -4.78 114.28 114.66 2tun n THR 105 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 2tun n THR 105 Cb 0.00 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 68.73 2tun n THR 105 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2tun n PRO 106 N 0.00 1.85 0.00 -2.82 -0.04 -1.26 -5.00 135.00 127.73 2tun n PRO 106 Ca 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 2tun n PRO 106 Cb 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2tun n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2tun n GLU 107 N 0.65 0.00 -1.14 0.54 1.02 -1.26 -4.63 120.64 115.81 2tun n GLU 107 Ca 0.14 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 2tun n GLU 107 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.85 2tun n GLU 107 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2tun n GLY 108 N 0.00 3.75 0.00 0.62 0.00 -1.26 -3.45 105.19 104.85 2tun n GLY 108 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 3.36 0.00 0.00 4.61 0.00 -1.26 -5.09 120.51 122.14 2tun n ALA 109 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2tun n ALA 109 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 0.00 -2.52 0.00 2.13 -1.22 -4.79 120.64 114.24 2tun n GLU 110 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2tun n GLU 110 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2tun n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2tun s ALA 111 N 0.00 3.07 -0.59 4.31 0.00 -1.26 -3.82 121.76 123.47 2tun s ALA 111 Ca 0.00 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.56 2tun s ALA 111 Cb 0.00 -3.95 0.24 0.00 0.00 0.00 0.00 23.12 19.41 2tun s ALA 111 CO 0.00 -2.41 0.68 1.63 0.00 0.00 0.00 175.76 175.65 2tun n LYS 112 N 8.07 2.09 -1.51 0.00 4.76 -1.25 -4.89 118.16 125.42 2tun n LYS 112 Ca 0.13 -4.36 -0.23 0.00 -2.87 0.00 0.00 58.31 50.98 2tun n LYS 112 Cb 0.49 -2.05 -0.18 0.00 -1.84 0.00 0.00 35.03 31.45 2tun n LYS 112 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2tun n PRO 113 N 1.08 0.16 -3.83 1.97 -0.02 -1.26 -3.87 135.00 129.23 2tun n PRO 113 Ca 0.28 -0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 61.23 2tun n PRO 113 Cb 0.43 -1.72 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 2tun n PRO 113 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2tun s TRP 114 N 4.70 3.58 -0.25 6.00 1.48 0.78 -4.94 118.94 130.30 2tun s TRP 114 Ca 1.23 0.50 -0.03 0.00 -1.06 0.00 0.00 56.10 56.74 2tun s TRP 114 Cb -0.72 -1.93 0.08 0.00 -1.16 0.00 0.00 33.47 29.74 2tun s TRP 114 CO 0.45 0.66 0.08 0.71 -4.06 0.00 0.00 176.95 174.79 2tun s TYR 115 N -1.24 0.93 -0.56 1.66 1.51 -1.26 0.19 117.35 118.58 2tun s TYR 115 Ca 0.24 -1.05 0.04 0.00 -1.01 0.00 0.00 57.07 55.30 2tun s TYR 115 Cb -0.13 -1.14 0.15 0.00 -0.11 0.00 0.00 41.96 40.73 2tun s TYR 115 CO 0.14 -0.73 0.37 -1.21 -1.11 0.00 0.00 175.55 173.00 2tun s GLU 116 N 1.89 1.84 0.58 -0.62 0.41 0.72 -4.98 118.70 118.54 2tun s GLU 116 Ca 0.05 -2.70 -0.18 0.00 -0.41 0.00 0.00 54.97 51.73 2tun s GLU 116 Cb -0.17 -2.82 -0.04 0.00 -1.78 0.00 0.00 34.13 29.33 2tun s GLU 116 CO -0.21 -1.24 1.13 -1.25 -0.49 0.00 0.00 175.26 173.20 2tun s PRO 117 N -0.58 3.16 -0.26 0.39 0.04 -1.26 -3.87 135.00 132.62 2tun s PRO 117 Ca 0.23 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2tun s PRO 117 Cb -0.12 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2tun s PRO 117 CO -0.10 -0.99 0.01 0.42 0.04 0.00 0.00 177.00 176.37 2tun s ILE 118 N -1.93 1.38 -0.00 0.56 1.09 0.34 -4.93 121.20 117.71 2tun s ILE 118 Ca 0.71 -1.36 -0.01 0.00 -1.10 0.00 0.00 60.65 58.89 2tun s ILE 118 Cb -0.23 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.31 2tun s ILE 118 CO 0.32 -0.32 0.13 -0.47 -0.10 0.00 0.00 174.94 174.49 2tun s TYR 119 N 1.42 3.41 0.05 3.97 5.04 -1.26 -0.23 117.35 129.74 2tun s TYR 119 Ca 0.01 0.27 -0.05 0.00 -2.44 0.00 0.00 57.07 54.86 2tun s TYR 119 Cb -0.18 -1.78 -0.02 0.00 0.35 0.00 0.00 41.96 40.33 2tun s TYR 119 CO -0.11 0.60 0.08 -1.17 -1.34 0.00 0.00 175.55 173.60 2tun s LEU 120 N -1.86 1.92 -0.30 6.97 2.96 0.26 -4.95 118.68 123.68 2tun s LEU 120 Ca 0.25 -0.67 -0.17 0.00 -0.22 0.00 0.00 54.13 53.32 2tun s LEU 120 Cb -0.12 0.56 0.19 0.00 0.50 0.00 0.00 46.19 47.32 2tun s LEU 120 CO 0.17 -0.56 1.18 -0.83 -1.32 0.00 0.00 176.35 174.99 2tun s GLY 121 N -2.42 0.39 0.01 7.98 0.00 -1.25 -0.93 107.32 111.10 2tun s GLY 121 Ca -0.01 3.56 -0.29 0.00 0.00 0.00 0.00 44.72 47.99 2tun s GLY 121 CO -0.07 2.60 0.92 -0.32 0.00 0.00 0.00 173.10 176.23 2tun s GLY 122 N 1.00 -0.42 -0.14 0.20 0.00 0.57 -4.97 107.32 103.55 2tun s GLY 122 Ca -0.06 0.91 -0.05 0.00 0.00 0.00 0.00 44.72 45.51 2tun s GLY 122 CO -0.12 0.29 0.05 0.14 0.00 0.00 0.00 173.10 173.46 2tun s VAL 123 N -3.10 4.67 0.13 1.40 1.01 -1.26 -0.78 120.40 122.47 2tun s VAL 123 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2tun s VAL 123 Cb -0.01 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2tun s VAL 123 CO -0.07 0.54 -0.00 -0.36 0.00 0.00 0.00 175.10 175.20 2tun s PHE 124 N -0.28 0.94 0.32 5.22 0.08 -0.35 -5.00 117.98 118.91 2tun s PHE 124 Ca 0.08 -1.06 0.02 0.00 0.12 0.00 0.00 56.93 56.09 2tun s PHE 124 Cb -0.12 -0.55 0.55 0.00 -0.57 0.00 0.00 43.02 42.33 2tun s PHE 124 CO 0.02 -0.31 1.90 0.37 -0.10 0.00 0.00 175.22 177.10 2tun h GLN 125 N 2.87 0.71 0.00 0.44 5.75 -1.87 -2.99 115.11 120.02 2tun h GLN 125 Ca -0.35 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2tun h GLN 125 Cb 1.18 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.61 2tun h GLN 125 CO 0.63 0.61 0.00 1.28 -2.65 0.00 0.00 178.83 178.70 2tun n LEU 126 N -4.33 0.00 -5.03 -2.39 4.77 -1.26 -3.36 117.00 105.40 2tun n LEU 126 Ca 0.04 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 2tun n LEU 126 Cb 0.18 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2tun n LEU 126 CO 0.38 0.00 0.35 -1.61 -1.33 0.00 0.00 177.39 175.18 2tun s GLU 127 N 0.00 2.25 -0.10 3.23 0.41 -1.26 -2.70 118.70 120.53 2tun s GLU 127 Ca 0.00 -1.71 -0.30 0.00 -0.41 0.00 0.00 54.97 52.55 2tun s GLU 127 Cb 0.00 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.72 2tun s GLU 127 CO 0.00 -0.91 1.30 -1.59 -0.49 0.00 0.00 175.26 173.57 2tun s LYS 128 N -4.68 4.27 0.00 1.61 -2.85 -1.12 -3.94 119.74 113.03 2tun s LYS 128 Ca 0.61 1.76 0.00 0.00 -1.00 0.00 0.00 55.97 57.33 2tun s LYS 128 Cb -0.05 -3.69 0.00 0.00 -2.06 0.00 0.00 37.83 32.03 2tun s LYS 128 CO 0.38 -0.62 0.00 0.41 0.10 0.00 0.00 175.35 175.63 2tun n GLY 129 N 3.58 0.70 3.59 0.59 0.00 -1.18 -4.79 105.19 107.69 2tun n GLY 129 Ca 0.13 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.44 3.60 -0.11 1.61 1.01 -1.25 -3.13 116.67 115.95 2tun s ASP 130 Ca 0.00 -1.38 -0.00 0.00 0.71 0.00 0.00 52.55 51.88 2tun s ASP 130 Cb 0.00 -0.32 0.02 0.00 1.01 0.00 0.00 42.92 43.63 2tun s ASP 130 CO 0.00 -0.49 -0.09 -0.13 0.21 0.00 0.00 175.17 174.68 2tun s ARG 131 N -3.75 1.62 -0.52 8.23 1.81 -0.39 -3.45 118.95 122.51 2tun s ARG 131 Ca 0.35 -0.29 -0.12 0.00 -1.72 0.00 0.00 55.73 53.95 2tun s ARG 131 Cb 0.10 -1.64 0.13 0.00 -0.45 0.00 0.00 34.95 33.09 2tun s ARG 131 CO 0.17 -0.25 0.42 -0.51 -0.68 0.00 0.00 175.30 174.46 2tun s LEU 132 N 1.63 5.91 -0.60 2.53 1.02 0.63 -1.84 118.68 127.97 2tun s LEU 132 Ca 0.04 -1.93 -0.24 0.00 0.02 0.00 0.00 54.13 52.02 2tun s LEU 132 Cb -0.13 -2.09 0.05 0.00 0.02 0.00 0.00 46.19 44.05 2tun s LEU 132 CO -0.08 -0.74 0.98 -0.44 0.02 0.00 0.00 176.35 176.09 2tun s SER 133 N 2.93 6.28 -0.44 2.29 0.01 0.65 -2.38 113.70 123.03 2tun s SER 133 Ca 0.06 -0.54 -0.15 0.00 1.31 0.00 0.00 55.95 56.63 2tun s SER 133 Cb -0.27 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.57 2tun s SER 133 CO 0.00 -1.34 0.35 0.00 0.41 0.00 0.00 173.24 172.66 2tun s ALA 134 N 4.14 3.52 0.09 1.44 0.00 -1.26 -1.76 121.76 127.93 2tun s ALA 134 Ca 0.29 -1.92 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 2tun s ALA 134 Cb -0.13 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2tun s ALA 134 CO 0.16 -1.60 0.05 -1.21 0.00 0.00 0.00 175.76 173.17 2tun s GLU 135 N 1.66 0.78 0.22 0.00 2.02 -0.42 -4.99 118.70 117.97 2tun s GLU 135 Ca 0.05 -1.24 0.03 0.00 0.02 0.00 0.00 54.97 53.82 2tun s GLU 135 Cb -0.22 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 34.22 2tun s GLU 135 CO 0.08 -0.20 0.00 0.96 0.02 0.00 0.00 175.26 176.12 2tun s ILE 136 N -3.95 0.92 -0.13 -1.63 -4.36 -1.26 -1.02 121.20 109.78 2tun s ILE 136 Ca 0.12 -2.02 0.18 0.00 -0.26 0.00 0.00 60.65 58.68 2tun s ILE 136 Cb 0.07 -2.29 -0.20 0.00 1.25 0.00 0.00 42.46 41.29 2tun s ILE 136 CO -0.06 -0.35 0.59 -0.46 0.24 0.00 0.00 174.94 174.89 2tun n ASN 137 N -0.37 0.50 -3.43 4.36 6.94 -1.22 -4.77 115.26 117.27 2tun n ASN 137 Ca -0.05 0.22 -0.28 0.00 -0.02 0.00 0.00 54.58 54.45 2tun n ASN 137 Cb 0.64 0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 38.65 2tun n ASN 137 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2tun s ARG 138 N -2.94 0.84 0.00 -3.83 0.52 -1.26 -4.97 118.95 107.31 2tun s ARG 138 Ca -0.05 -1.89 0.09 0.00 -0.52 0.00 0.00 55.73 53.35 2tun s ARG 138 Cb 0.09 -1.45 0.41 0.00 0.52 0.00 0.00 34.95 34.52 2tun s ARG 138 CO 0.83 -1.33 1.23 -2.30 0.02 0.00 0.00 175.30 173.76 2tun n PRO 139 N 3.21 0.06 0.22 3.54 -0.02 -1.26 -2.89 135.00 137.86 2tun n PRO 139 Ca 0.24 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 2tun n PRO 139 Cb 0.44 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 32.92 2tun n PRO 139 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2tun h ASP 140 N 0.00 0.00 -0.82 2.55 2.03 -1.93 -2.80 116.42 115.45 2tun h ASP 140 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 2tun h ASP 140 Cb 0.12 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.41 2tun h ASP 140 CO 0.00 0.19 0.66 -1.22 -1.03 0.00 0.00 179.24 177.83 2tun n TYR 141 N -4.32 2.37 -3.48 4.15 4.01 -1.14 -4.95 117.16 113.81 2tun n TYR 141 Ca -0.02 -2.46 -0.39 0.00 -0.16 0.00 0.00 57.90 54.87 2tun n TYR 141 Cb 0.25 -1.22 -0.10 0.00 -0.31 0.00 0.00 39.34 37.96 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 -2.85 4.07 -0.24 7.72 1.43 -1.06 -1.62 118.68 126.13 2tun s LEU 142 Ca 0.49 0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 53.44 2tun s LEU 142 Cb 0.38 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2tun s LEU 142 CO -0.04 -0.14 0.93 -0.22 0.23 0.00 0.00 176.35 177.11 2tun s LEU 143 N 1.93 4.08 -0.11 1.79 2.96 -1.10 -4.91 118.68 123.33 2tun s LEU 143 Ca 0.11 1.18 0.15 0.00 -0.22 0.00 0.00 54.13 55.35 2tun s LEU 143 Cb -0.16 -3.36 0.27 0.00 0.50 0.00 0.00 46.19 43.44 2tun s LEU 143 CO 0.11 -0.61 1.17 0.49 -1.32 0.00 0.00 176.35 176.18 2tun n PHE 144 N 6.20 0.15 0.02 5.38 3.72 -1.26 -4.79 117.46 126.87 2tun n PHE 144 Ca 0.09 -0.87 -0.13 0.00 -0.05 0.00 0.00 57.45 56.49 2tun n PHE 144 Cb 0.47 -0.15 -0.09 0.00 -0.94 0.00 0.00 39.48 38.77 2tun n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2tun h ALA 145 N 0.34 -0.03 -1.84 4.37 0.00 -2.00 -3.45 119.26 116.65 2tun h ALA 145 Ca 0.00 -0.16 -0.45 0.00 0.00 0.00 0.00 54.91 54.30 2tun h ALA 145 Cb 0.96 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2tun h ALA 145 CO 0.03 -0.36 -0.36 -1.21 0.00 0.00 0.00 179.25 177.35 2tun s GLU 146 N -4.91 3.10 0.28 0.00 8.01 -1.26 -5.01 118.70 118.91 2tun s GLU 146 Ca -0.15 -1.02 0.23 0.00 0.01 0.00 0.00 54.97 54.04 2tun s GLU 146 Cb 0.03 -2.79 0.16 0.00 -4.31 0.00 0.00 34.13 27.23 2tun s GLU 146 CO 0.66 0.10 1.28 1.03 0.01 0.00 0.00 175.26 178.34 2tun h SER 147 N 0.96 0.00 -2.00 -0.19 0.87 -1.99 -3.27 113.55 107.93 2tun h SER 147 Ca -0.46 -0.02 -0.77 0.00 -1.23 0.00 0.00 61.79 59.32 2tun h SER 147 Cb 1.25 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.95 2tun h SER 147 CO 0.54 0.01 1.06 0.61 -0.53 0.00 0.00 176.83 178.52 2tun n GLY 148 N 1.17 5.63 0.13 5.77 0.00 -1.26 -4.32 105.19 112.31 2tun n GLY 148 Ca 0.02 -2.47 -0.19 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.26 0.67 -3.64 1.61 10.64 -1.24 -5.03 117.38 120.14 2tun n GLN 149 Ca 0.52 0.17 -0.14 0.00 -1.83 0.00 0.00 57.00 55.72 2tun n GLN 149 Cb 0.26 -1.55 -0.07 0.00 -0.86 0.00 0.00 30.24 28.01 2tun n GLN 149 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2tun s VAL 150 N -2.53 0.00 0.08 -0.39 0.11 -1.26 -3.18 120.40 113.23 2tun s VAL 150 Ca -0.33 -0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 2tun s VAL 150 Cb 0.09 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2tun s VAL 150 CO 0.63 -0.00 -0.09 -0.31 -3.33 0.00 0.00 175.10 172.00 2tun s TYR 151 N 0.31 0.91 -0.04 1.54 2.02 -1.19 -4.04 117.35 116.86 2tun s TYR 151 Ca -0.00 -0.67 -0.02 0.00 -0.37 0.00 0.00 57.07 56.01 2tun s TYR 151 Cb -0.05 -0.52 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 2tun s TYR 151 CO 0.01 -0.06 0.09 0.12 -1.57 0.00 0.00 175.55 174.14 2tun s PHE 152 N -2.40 -0.07 -0.15 2.71 5.36 -0.79 -2.71 117.98 119.94 2tun s PHE 152 Ca 0.02 0.32 -0.21 0.00 -0.96 0.00 0.00 56.93 56.10 2tun s PHE 152 Cb -0.03 -0.18 0.05 0.00 -0.34 0.00 0.00 43.02 42.52 2tun s PHE 152 CO -0.01 -0.14 0.55 0.20 -1.46 0.00 0.00 175.22 174.36 2tun s GLY 153 N 1.22 -0.41 0.04 13.12 0.00 0.04 -1.72 107.32 119.61 2tun s GLY 153 Ca -0.08 1.36 0.03 0.00 0.00 0.00 0.00 44.72 46.03 2tun s GLY 153 CO -0.04 1.12 -0.09 -0.26 0.00 0.00 0.00 173.10 173.82 2tun s ILE 154 N -0.19 0.69 -0.30 0.90 -4.36 -1.10 -2.27 121.20 114.56 2tun s ILE 154 Ca -0.04 -1.00 -0.10 0.00 -0.26 0.00 0.00 60.65 59.26 2tun s ILE 154 Cb -0.03 -0.70 0.16 0.00 1.25 0.00 0.00 42.46 43.14 2tun s ILE 154 CO 0.03 -0.24 0.79 -0.51 0.24 0.00 0.00 174.94 175.24 2tun s ILE 155 N -1.13 -0.77 0.30 8.37 1.10 -1.09 -1.79 121.20 126.19 2tun s ILE 155 Ca -0.06 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.85 2tun s ILE 155 Cb -0.09 -1.00 -0.09 0.00 0.15 0.00 0.00 42.46 41.43 2tun s ILE 155 CO 0.01 0.00 0.87 0.00 -2.11 0.00 0.00 174.94 173.71 2tun s ALA 156 N 2.76 3.26 0.00 1.50 0.00 -0.97 -1.28 121.76 127.03 2tun s ALA 156 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2tun s ALA 156 Cb -0.11 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2tun s ALA 156 CO -0.18 0.22 0.35 1.28 0.00 0.00 0.00 175.76 177.43