#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 1.44 0.00 -2.82 0.04 -1.26 -4.73 135.00 127.67 2tun s PRO 8 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2tun s PRO 8 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2tun s PRO 8 CO 0.00 -2.06 0.00 -1.13 0.04 0.00 0.00 177.00 173.85 2tun n SER 9 N -3.72 0.00 -4.55 6.66 3.41 -1.26 -4.56 113.62 109.59 2tun n SER 9 Ca 0.07 0.65 -0.28 0.00 -0.26 0.00 0.00 58.87 59.04 2tun n SER 9 Cb 0.57 -0.97 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 2tun n SER 9 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2tun s ASP 10 N 0.00 4.59 -0.06 4.04 -1.08 -1.26 -4.90 116.67 117.99 2tun s ASP 10 Ca 0.00 0.30 0.01 0.00 -0.52 0.00 0.00 52.55 52.35 2tun s ASP 10 Cb 0.00 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.95 2tun s ASP 10 CO 0.00 -3.03 -0.08 -0.75 0.52 0.00 0.00 175.17 171.83 2tun s LYS 11 N 7.95 1.23 -1.03 4.34 2.47 -1.26 -5.07 119.74 128.36 2tun s LYS 11 Ca 0.84 -0.23 -0.23 0.00 -1.56 0.00 0.00 55.97 54.79 2tun s LYS 11 Cb -0.13 -1.13 -0.04 0.00 -1.46 0.00 0.00 37.83 35.08 2tun s LYS 11 CO 0.15 -0.06 1.86 -1.25 0.16 0.00 0.00 175.35 176.21 2tun s PRO 12 N 0.90 2.79 0.09 4.03 0.05 -1.26 -4.57 135.00 137.03 2tun s PRO 12 Ca -0.11 -0.79 0.10 0.00 0.05 0.00 0.00 61.00 60.25 2tun s PRO 12 Cb -0.15 -5.19 -0.03 0.00 0.05 0.00 0.00 34.50 29.17 2tun s PRO 12 CO 0.01 -3.31 -0.26 0.54 0.05 0.00 0.00 177.00 174.03 2tun s VAL 13 N 9.23 2.28 -0.23 -0.36 0.11 -1.25 -2.79 120.40 127.38 2tun s VAL 13 Ca 0.65 -1.56 -0.17 0.00 -2.93 0.00 0.00 61.98 57.97 2tun s VAL 13 Cb -0.03 -1.96 0.07 0.00 -1.53 0.00 0.00 36.38 32.93 2tun s VAL 13 CO 0.03 0.22 0.60 0.00 -3.33 0.00 0.00 175.10 172.61 2tun s ALA 14 N -0.95 -1.54 -0.22 1.54 0.00 -0.10 -2.18 121.76 118.30 2tun s ALA 14 Ca 0.13 1.94 -0.03 0.00 0.00 0.00 0.00 51.96 54.00 2tun s ALA 14 Cb -0.10 -1.14 0.11 0.00 0.00 0.00 0.00 23.12 21.98 2tun s ALA 14 CO 0.05 -0.32 0.28 -1.58 0.00 0.00 0.00 175.76 174.19 2tun s HIS 15 N 1.05 -0.47 0.03 0.00 2.46 -1.24 0.02 115.29 117.14 2tun s HIS 15 Ca -0.06 0.40 0.04 0.00 0.47 0.00 0.00 55.06 55.91 2tun s HIS 15 Cb -0.05 -0.24 -0.02 0.00 -0.13 0.00 0.00 32.58 32.13 2tun s HIS 15 CO -0.10 -0.66 -0.11 0.54 -2.47 0.00 0.00 174.74 171.95 2tun s VAL 16 N 2.40 0.83 0.05 0.89 0.11 0.89 -1.02 120.40 124.53 2tun s VAL 16 Ca 0.09 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 2tun s VAL 16 Cb -0.16 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2tun s VAL 16 CO -0.14 -0.05 0.06 0.52 -3.33 0.00 0.00 175.10 172.16 2tun n VAL 17 N 2.05 0.00 -2.59 2.04 0.31 -1.26 -0.45 118.33 118.43 2tun n VAL 17 Ca -0.18 -0.15 -0.24 0.00 -0.01 0.00 0.00 64.34 63.76 2tun n VAL 17 Cb 0.55 -0.95 0.12 0.00 -0.91 0.00 0.00 33.84 32.65 2tun n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2tun s ALA 18 N -2.06 3.68 -0.40 3.52 0.00 -1.21 -1.20 121.76 124.10 2tun s ALA 18 Ca 0.05 -1.82 -0.05 0.00 0.00 0.00 0.00 51.96 50.14 2tun s ALA 18 Cb -0.00 -1.98 0.09 0.00 0.00 0.00 0.00 23.12 21.23 2tun s ALA 18 CO 0.03 -1.58 0.20 1.21 0.00 0.00 0.00 175.76 175.62 2tun s ASN 19 N -4.79 5.35 0.49 0.00 3.84 0.24 -4.00 114.94 116.07 2tun s ASN 19 Ca 0.68 -1.75 0.28 0.00 0.21 0.00 0.00 52.86 52.28 2tun s ASN 19 Cb -0.04 -1.87 0.83 0.00 -0.55 0.00 0.00 41.25 39.61 2tun s ASN 19 CO 0.45 -0.51 1.79 -0.65 -2.79 0.00 0.00 177.10 175.39 2tun h PRO 20 N 8.18 0.00 -1.23 0.43 0.11 -1.98 -3.32 132.00 134.19 2tun h PRO 20 Ca -0.18 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.85 2tun h PRO 20 Cb 1.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2tun h PRO 20 CO 0.71 0.00 0.11 1.04 -0.21 0.00 0.00 178.00 179.64 2tun n GLN 21 N -3.08 1.20 -3.12 1.05 3.00 -1.26 -4.57 117.38 110.60 2tun n GLN 21 Ca 0.02 -0.45 0.02 0.00 -0.01 0.00 0.00 57.00 56.58 2tun n GLN 21 Cb 0.42 -1.18 -0.00 0.00 0.00 0.00 0.00 30.24 29.48 2tun n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2tun s ALA 22 N -0.50 -2.85 0.32 -1.58 0.00 -1.25 -5.05 121.76 110.84 2tun s ALA 22 Ca 0.09 0.67 0.10 0.00 0.00 0.00 0.00 51.96 52.82 2tun s ALA 22 Cb 0.07 -2.75 0.93 0.00 0.00 0.00 0.00 23.12 21.37 2tun s ALA 22 CO 0.01 -2.17 1.68 0.93 0.00 0.00 0.00 175.76 176.21 2tun h GLU 23 N 6.98 0.38 -4.16 0.00 5.08 -1.89 -3.26 114.58 117.71 2tun h GLU 23 Ca 0.01 -0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.69 2tun h GLU 23 Cb 1.19 -0.08 -0.40 0.00 0.50 0.00 0.00 28.75 29.96 2tun h GLU 23 CO 0.07 0.25 -0.67 0.20 -1.00 0.00 0.00 179.01 177.85 2tun s GLY 24 N -4.03 2.15 0.00 -3.84 0.00 -1.26 -4.79 107.32 95.55 2tun s GLY 24 Ca -0.11 -2.84 0.00 0.00 0.00 0.00 0.00 44.72 41.77 2tun s GLY 24 CO 0.79 0.97 0.00 -0.18 0.00 0.00 0.00 173.10 174.68 2tun n GLN 25 N 3.80 0.00 -1.02 2.90 -0.06 -1.23 -5.06 117.38 116.71 2tun n GLN 25 Ca 0.04 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.03 2tun n GLN 25 Cb 0.38 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.56 2tun n GLN 25 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2tun n LEU 26 N 0.00 -0.32 -4.67 1.69 7.94 -1.26 -4.72 117.00 115.65 2tun n LEU 26 Ca 0.00 -0.90 -0.39 0.00 -1.11 0.00 0.00 56.01 53.61 2tun n LEU 26 Cb 0.00 0.23 -0.06 0.00 0.53 0.00 0.00 43.42 44.12 2tun n LEU 26 CO 0.00 0.91 0.29 -1.58 -1.11 0.00 0.00 177.39 175.90 2tun s GLN 27 N 0.01 4.23 -0.13 1.96 0.74 -1.26 -5.01 119.66 120.21 2tun s GLN 27 Ca 0.01 0.52 -0.23 0.00 0.05 0.00 0.00 55.36 55.71 2tun s GLN 27 Cb 0.04 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 2tun s GLN 27 CO -0.01 -0.13 0.72 -1.58 -0.55 0.00 0.00 175.29 173.75 2tun s TRP 28 N 1.54 3.49 -0.20 1.67 0.52 -1.26 0.81 118.94 125.51 2tun s TRP 28 Ca 0.27 1.18 -0.03 0.00 0.02 0.00 0.00 56.10 57.53 2tun s TRP 28 Cb -0.16 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.29 2tun s TRP 28 CO 0.10 -0.07 -0.05 -1.17 0.02 0.00 0.00 176.95 175.79 2tun s LEU 29 N 1.44 2.94 0.24 2.99 1.98 -0.34 -4.86 118.68 123.07 2tun s LEU 29 Ca 0.36 -0.34 -0.15 0.00 -2.89 0.00 0.00 54.13 51.11 2tun s LEU 29 Cb -0.17 -1.73 -0.08 0.00 0.66 0.00 0.00 46.19 44.87 2tun s LEU 29 CO 0.15 0.03 0.65 0.21 -1.89 0.00 0.00 176.35 175.50 2tun s ASN 30 N 1.16 6.83 0.00 3.68 2.47 -1.26 -4.11 114.94 123.70 2tun s ASN 30 Ca 0.02 1.19 0.00 0.00 0.42 0.00 0.00 52.86 54.49 2tun s ASN 30 Cb -0.14 -2.33 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 2tun s ASN 30 CO -0.01 -0.04 0.00 0.54 -3.72 0.00 0.00 177.10 173.87 2tun n ARG 31 N 0.24 0.00 -3.56 0.43 1.74 -1.26 -5.10 116.66 109.15 2tun n ARG 31 Ca -0.01 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 2tun n ARG 31 Cb 0.52 -2.05 -0.04 0.00 -1.02 0.00 0.00 32.46 29.88 2tun n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2tun n ARG 32 N -0.97 1.15 -0.31 5.56 1.74 -1.26 -5.02 116.66 117.55 2tun n ARG 32 Ca 0.00 -2.18 -0.08 0.00 -0.77 0.00 0.00 57.85 54.82 2tun n ARG 32 Cb 0.44 0.71 -0.07 0.00 -1.02 0.00 0.00 32.46 32.52 2tun n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2tun n ALA 33 N -1.99 -0.47 -3.56 7.54 0.00 -1.26 -3.25 120.51 117.51 2tun n ALA 33 Ca -0.12 0.63 -0.28 0.00 0.00 0.00 0.00 53.44 53.67 2tun n ALA 33 Cb 0.38 -0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.65 2tun n ALA 33 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2tun s ASN 34 N -5.19 2.86 -0.57 0.00 3.84 -1.26 -5.04 114.94 109.57 2tun s ASN 34 Ca -0.09 -2.79 -0.07 0.00 0.21 0.00 0.00 52.86 50.12 2tun s ASN 34 Cb 0.08 -0.73 0.15 0.00 -0.55 0.00 0.00 41.25 40.20 2tun s ASN 34 CO 0.46 -0.23 0.42 0.00 -2.79 0.00 0.00 177.10 174.97 2tun s ALA 35 N 0.25 3.53 -0.19 1.71 0.00 -1.20 -4.61 121.76 121.26 2tun s ALA 35 Ca 0.24 -2.88 0.01 0.00 0.00 0.00 0.00 51.96 49.32 2tun s ALA 35 Cb -0.12 -2.84 0.21 0.00 0.00 0.00 0.00 23.12 20.37 2tun s ALA 35 CO -0.08 -2.01 1.56 1.28 0.00 0.00 0.00 175.76 176.51 2tun n LEU 36 N 4.29 4.97 -4.56 0.00 7.99 -0.19 -4.73 117.00 124.77 2tun n LEU 36 Ca 0.01 -2.54 -0.42 0.00 -0.01 0.00 0.00 56.01 53.05 2tun n LEU 36 Cb 0.41 -0.78 -0.01 0.00 -0.11 0.00 0.00 43.42 42.93 2tun n LEU 36 CO 0.38 0.86 1.74 -0.22 -1.51 0.00 0.00 177.39 178.64 2tun s LEU 37 N -1.25 3.87 0.00 2.23 2.96 -1.26 -2.62 118.68 122.62 2tun s LEU 37 Ca 0.21 -2.16 0.00 0.00 -0.22 0.00 0.00 54.13 51.96 2tun s LEU 37 Cb 0.18 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.31 2tun s LEU 37 CO 0.02 -1.24 0.21 0.00 -1.32 0.00 0.00 176.35 174.03 2tun n ALA 38 N 8.28 -0.05 -0.67 5.97 0.00 -0.93 -4.93 120.51 128.18 2tun n ALA 38 Ca 0.42 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2tun n ALA 38 Cb 0.47 0.65 0.00 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.00 -3.94 0.00 0.00 4.13 -1.26 -3.15 115.26 109.03 2tun n ASN 39 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2tun n ASN 39 Cb 0.28 -2.52 0.00 0.00 -1.54 0.00 0.00 39.78 36.01 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 0.62 1.80 3.78 7.41 0.00 -1.26 -4.61 105.19 112.92 2tun n GLY 40 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 3.50 0.29 1.61 -7.23 -1.19 -4.48 120.40 112.90 2tun s VAL 41 Ca 0.00 0.55 0.03 0.00 -1.81 0.00 0.00 61.98 60.74 2tun s VAL 41 Cb 0.00 -3.10 -0.06 0.00 0.56 0.00 0.00 36.38 33.79 2tun s VAL 41 CO 0.00 -0.58 0.08 -0.70 -0.31 0.00 0.00 175.10 173.58 2tun s GLU 42 N -4.70 1.53 -0.12 4.82 2.12 -0.35 -4.60 118.70 117.39 2tun s GLU 42 Ca 0.62 -1.84 -0.04 0.00 0.36 0.00 0.00 54.97 54.07 2tun s GLU 42 Cb -0.17 -0.57 0.06 0.00 0.26 0.00 0.00 34.13 33.72 2tun s GLU 42 CO 0.51 -0.24 0.24 -1.17 -0.54 0.00 0.00 175.26 174.06 2tun s LEU 43 N -3.40 -0.24 0.00 2.70 2.96 -1.25 0.57 118.68 120.02 2tun s LEU 43 Ca 0.37 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2tun s LEU 43 Cb 0.08 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.36 2tun s LEU 43 CO 0.14 -0.25 0.00 0.54 -1.32 0.00 0.00 176.35 175.47 2tun n ARG 44 N 5.34 0.00 -1.57 1.98 1.74 -0.35 -4.96 116.66 118.85 2tun n ARG 44 Ca -0.06 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 2tun n ARG 44 Cb 0.50 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.92 2tun n ARG 44 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2tun n ASP 45 N 0.00 4.13 -0.77 0.55 9.92 -1.26 -4.36 116.55 124.75 2tun n ASP 45 Ca 0.00 -2.77 -0.10 0.00 -0.53 0.00 0.00 54.79 51.39 2tun n ASP 45 Cb 0.00 -1.54 -0.04 0.00 -0.64 0.00 0.00 41.12 38.90 2tun n ASP 45 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2tun n ASN 46 N 6.05 -5.28 -4.31 -2.24 5.15 -1.26 -4.93 115.26 108.44 2tun n ASN 46 Ca 0.54 0.24 -0.31 0.00 -0.60 0.00 0.00 54.58 54.44 2tun n ASN 46 Cb 0.37 -3.87 -0.16 0.00 -0.53 0.00 0.00 39.78 35.59 2tun n ASN 46 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2tun s GLN 47 N -2.72 2.42 -0.36 1.20 -0.21 -1.26 -4.48 119.66 114.25 2tun s GLN 47 Ca 0.00 -0.88 -0.23 0.00 0.02 0.00 0.00 55.36 54.26 2tun s GLN 47 Cb 0.00 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.86 2tun s GLN 47 CO 0.00 0.47 0.79 -1.17 -2.12 0.00 0.00 175.29 173.26 2tun s LEU 48 N -0.36 4.12 -0.22 2.90 1.98 -1.01 -1.21 118.68 124.88 2tun s LEU 48 Ca 0.03 0.38 -0.25 0.00 -2.89 0.00 0.00 54.13 51.40 2tun s LEU 48 Cb -0.12 -3.04 -0.01 0.00 0.66 0.00 0.00 46.19 43.68 2tun s LEU 48 CO 0.02 -0.73 0.83 -0.69 -1.89 0.00 0.00 176.35 173.89 2tun s VAL 49 N 3.11 4.85 -0.44 1.68 1.01 0.19 -2.52 120.40 128.28 2tun s VAL 49 Ca 0.32 1.60 -0.22 0.00 0.00 0.00 0.00 61.98 63.67 2tun s VAL 49 Cb -0.13 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.15 2tun s VAL 49 CO 0.17 -0.04 0.75 -0.69 0.00 0.00 0.00 175.10 175.28 2tun s VAL 50 N 2.60 4.70 0.00 2.92 1.01 -0.39 -1.21 120.40 130.03 2tun s VAL 50 Ca 0.36 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2tun s VAL 50 Cb -0.16 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2tun s VAL 50 CO 0.09 -0.68 0.00 -0.81 0.00 0.00 0.00 175.10 173.70 2tun n PRO 51 N 6.58 1.96 0.00 2.72 -0.04 -1.26 -0.96 135.00 144.00 2tun n PRO 51 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2tun n PRO 51 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2tun n PRO 51 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2tun n SER 52 N 0.00 0.00 0.00 3.54 7.64 -1.26 -3.88 113.62 119.66 2tun n SER 52 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2tun n SER 52 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2tun n SER 52 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2tun n GLU 53 N 0.00 0.00 -0.56 1.43 2.13 -1.26 -4.12 120.64 118.26 2tun n GLU 53 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2tun n GLU 53 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2tun n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2tun n GLY 54 N -1.41 0.63 3.59 8.31 0.00 -0.27 -4.94 105.19 111.11 2tun n GLY 54 Ca 0.00 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 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 3.56 -0.28 0.99 2.01 -1.26 -1.99 118.68 121.71 2tun s LEU 55 Ca 0.00 0.54 -0.01 0.00 0.01 0.00 0.00 54.13 54.67 2tun s LEU 55 Cb 0.00 -3.44 0.04 0.00 0.01 0.00 0.00 46.19 42.80 2tun s LEU 55 CO 0.00 -1.41 -0.04 -0.31 1.01 0.00 0.00 176.35 175.60 2tun s TYR 56 N 5.10 3.20 -0.45 0.29 1.51 -0.96 -0.04 117.35 126.01 2tun s TYR 56 Ca 0.53 -1.84 -0.28 0.00 -1.01 0.00 0.00 57.07 54.47 2tun s TYR 56 Cb -0.10 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2tun s TYR 56 CO 0.31 -0.79 1.07 -1.17 -1.11 0.00 0.00 175.55 173.85 2tun s LEU 57 N 1.25 3.78 0.14 -1.29 0.20 0.11 -3.22 118.68 119.65 2tun s LEU 57 Ca -0.04 0.45 0.03 0.00 0.69 0.00 0.00 54.13 55.26 2tun s LEU 57 Cb -0.19 -3.44 -0.04 0.00 -0.43 0.00 0.00 46.19 42.09 2tun s LEU 57 CO -0.03 -1.14 0.26 -0.63 -0.29 0.00 0.00 176.35 174.53 2tun s ILE 58 N 4.13 5.25 -0.08 6.68 1.01 -1.24 -0.85 121.20 136.10 2tun s ILE 58 Ca 0.44 -0.70 -0.31 0.00 0.00 0.00 0.00 60.65 60.09 2tun s ILE 58 Cb -0.09 -3.69 0.08 0.00 0.01 0.00 0.00 42.46 38.78 2tun s ILE 58 CO 0.28 -0.07 0.74 -0.72 0.00 0.00 0.00 174.94 175.16 2tun s TYR 59 N -1.72 -0.62 -0.22 3.97 1.13 0.17 -2.54 117.35 117.52 2tun s TYR 59 Ca 0.34 1.09 -0.27 0.00 -1.41 0.00 0.00 57.07 56.82 2tun s TYR 59 Cb -0.11 0.41 0.11 0.00 -1.10 0.00 0.00 41.96 41.27 2tun s TYR 59 CO 0.28 -0.55 0.92 0.45 -2.51 0.00 0.00 175.55 174.14 2tun s SER 60 N -1.09 -0.51 0.00 -0.18 0.15 -1.08 0.40 113.70 111.40 2tun s SER 60 Ca -0.09 0.84 -0.04 0.00 0.70 0.00 0.00 55.95 57.36 2tun s SER 60 Cb -0.00 0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 65.10 2tun s SER 60 CO 0.08 -0.27 0.07 -1.58 1.20 0.00 0.00 173.24 172.74 2tun s GLN 61 N -0.25 0.38 -0.05 5.44 -0.44 -0.66 -2.43 119.66 121.65 2tun s GLN 61 Ca -0.00 -0.41 -0.02 0.00 -2.50 0.00 0.00 55.36 52.43 2tun s GLN 61 Cb -0.03 0.15 0.04 0.00 -1.64 0.00 0.00 33.01 31.52 2tun s GLN 61 CO -0.01 -0.08 0.11 0.54 0.50 0.00 0.00 175.29 176.35 2tun s VAL 62 N -1.24 -0.06 -0.35 1.34 0.11 -1.10 -0.93 120.40 118.17 2tun s VAL 62 Ca -0.13 0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 2tun s VAL 62 Cb -0.08 -0.19 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2tun s VAL 62 CO 0.00 0.08 0.15 -0.22 -3.33 0.00 0.00 175.10 171.79 2tun s LEU 63 N 1.18 4.45 -0.03 2.54 2.96 0.14 -0.22 118.68 129.70 2tun s LEU 63 Ca -0.09 -1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 52.65 2tun s LEU 63 Cb -0.12 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 2tun s LEU 63 CO -0.05 -0.34 0.47 -0.36 -1.32 0.00 0.00 176.35 174.75 2tun s PHE 64 N 1.49 3.66 0.05 5.38 0.08 -0.57 -2.46 117.98 125.61 2tun s PHE 64 Ca 0.01 1.01 0.03 0.00 0.12 0.00 0.00 56.93 58.10 2tun s PHE 64 Cb -0.19 -2.44 -0.02 0.00 -0.57 0.00 0.00 43.02 39.80 2tun s PHE 64 CO 0.05 0.44 -0.11 0.21 -0.10 0.00 0.00 175.22 175.71 2tun s LYS 65 N -0.40 0.67 -0.29 0.44 2.20 0.31 -1.00 119.74 121.67 2tun s LYS 65 Ca 0.26 -0.79 -0.15 0.00 -0.36 0.00 0.00 55.97 54.92 2tun s LYS 65 Cb -0.17 -0.56 0.15 0.00 -1.51 0.00 0.00 37.83 35.74 2tun s LYS 65 CO 0.13 0.12 0.96 0.20 -0.36 0.00 0.00 175.35 176.40 2tun s GLY 66 N -1.48 -0.11 -1.03 5.54 0.00 -1.15 -4.40 107.32 104.69 2tun s GLY 66 Ca -0.05 3.06 -0.23 0.00 0.00 0.00 0.00 44.72 47.50 2tun s GLY 66 CO 0.01 2.83 1.47 -0.86 0.00 0.00 0.00 173.10 176.55 2tun s GLN 67 N 1.79 3.60 0.06 2.90 -2.07 -1.26 -1.79 119.66 122.89 2tun s GLN 67 Ca -0.07 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 52.31 2tun s GLN 67 Cb -0.05 -5.37 0.00 0.00 -1.09 0.00 0.00 33.01 26.51 2tun s GLN 67 CO -0.16 -2.23 0.00 0.41 -1.32 0.00 0.00 175.29 171.99 2tun n GLY 68 N 6.81 -1.94 3.42 2.60 0.00 -0.69 -4.62 105.19 110.77 2tun n GLY 68 Ca 0.34 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 2tun n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tun s PRO 70 N -1.00 0.59 -0.71 0.00 0.04 -1.26 -4.13 135.00 128.53 2tun s PRO 70 Ca 0.12 1.04 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 2tun s PRO 70 Cb -0.10 -1.72 -0.19 0.00 0.04 0.00 0.00 34.50 32.53 2tun s PRO 70 CO 0.02 -2.76 1.87 0.45 0.04 0.00 0.00 177.00 176.63 2tun n SER 71 N -4.27 2.30 0.00 6.66 2.88 -1.26 -4.73 113.62 115.20 2tun n SER 71 Ca 0.07 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 2tun n SER 71 Cb 0.54 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2tun n SER 71 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2tun n THR 72 N 6.57 0.00 -2.51 2.46 5.66 -1.26 -5.06 114.28 120.13 2tun n THR 72 Ca 0.48 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 61.08 2tun n THR 72 Cb 0.42 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.17 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 -2.00 2.49 0.26 1.09 2.46 -1.26 -4.87 115.29 113.47 2tun s HIS 73 Ca 0.00 -0.79 -0.03 0.00 0.47 0.00 0.00 55.06 54.70 2tun s HIS 73 Cb 0.00 -4.64 0.38 0.00 -0.13 0.00 0.00 32.58 28.18 2tun s HIS 73 CO 0.00 -1.90 1.89 -0.24 -2.47 0.00 0.00 174.74 172.02 2tun h VAL 74 N 6.68 1.12 -6.02 0.89 3.04 -1.92 -3.49 116.25 116.56 2tun h VAL 74 Ca 0.22 -0.41 -0.05 0.00 -1.01 0.00 0.00 66.70 65.44 2tun h VAL 74 Cb 0.99 -0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 2tun h VAL 74 CO 1.41 0.22 -1.00 0.18 -1.01 0.00 0.00 177.57 177.37 2tun n LEU 75 N -4.48 -4.83 -4.81 3.16 4.32 -1.26 -4.96 117.00 104.14 2tun n LEU 75 Ca 0.15 0.60 -0.34 0.00 -0.02 0.00 0.00 56.01 56.39 2tun n LEU 75 Cb 0.15 -2.14 -0.06 0.00 -1.62 0.00 0.00 43.42 39.75 2tun n LEU 75 CO 0.33 -1.74 0.66 -0.76 -1.22 0.00 0.00 177.39 174.66 2tun s LEU 76 N -1.46 4.00 0.36 2.23 2.01 -0.38 -4.91 118.68 120.53 2tun s LEU 76 Ca 0.07 1.77 0.05 0.00 0.01 0.00 0.00 54.13 56.02 2tun s LEU 76 Cb -0.01 -4.44 -0.03 0.00 0.01 0.00 0.00 46.19 41.72 2tun s LEU 76 CO 0.37 -0.39 0.18 0.42 1.01 0.00 0.00 176.35 177.94 2tun s THR 77 N -2.04 0.36 -0.30 5.49 -4.23 -1.26 0.58 115.64 114.24 2tun s THR 77 Ca 0.61 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 2tun s THR 77 Cb -0.12 -2.44 0.18 0.00 1.34 0.00 0.00 72.50 71.46 2tun s THR 77 CO 0.16 0.00 0.98 -2.28 -0.54 0.00 0.00 174.62 172.94 2tun s HIS 78 N -3.39 -0.70 -0.02 3.99 2.46 -0.12 -4.41 115.29 113.09 2tun s HIS 78 Ca 0.32 0.85 0.04 0.00 0.47 0.00 0.00 55.06 56.74 2tun s HIS 78 Cb 0.03 0.28 -0.01 0.00 -0.13 0.00 0.00 32.58 32.76 2tun s HIS 78 CO 0.19 -0.38 -0.14 0.99 -2.47 0.00 0.00 174.74 172.93 2tun s THR 79 N 2.81 1.14 -0.24 0.89 2.01 -0.22 -0.92 115.64 121.11 2tun s THR 79 Ca 0.02 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 2tun s THR 79 Cb -0.10 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2tun s THR 79 CO -0.14 0.33 0.04 -0.63 -0.69 0.00 0.00 174.62 173.53 2tun s ILE 80 N -0.13 4.07 0.20 1.82 1.01 0.25 -1.92 121.20 126.50 2tun s ILE 80 Ca 0.01 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.47 2tun s ILE 80 Cb -0.08 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2tun s ILE 80 CO 0.00 0.36 -0.10 -0.94 0.00 0.00 0.00 174.94 174.27 2tun s SER 81 N 1.56 2.22 0.04 3.58 1.04 0.19 -2.07 113.70 120.26 2tun s SER 81 Ca 0.06 -1.06 -0.07 0.00 0.48 0.00 0.00 55.95 55.36 2tun s SER 81 Cb -0.15 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 2tun s SER 81 CO 0.02 -0.29 0.13 -0.60 0.98 0.00 0.00 173.24 173.48 2tun s ARG 82 N -3.72 0.62 -0.12 4.02 3.52 -0.83 0.22 118.95 122.66 2tun s ARG 82 Ca 0.22 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2tun s ARG 82 Cb 0.02 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 2tun s ARG 82 CO 0.05 -0.16 -0.15 0.42 -0.81 0.00 0.00 175.30 174.66 2tun s ILE 83 N -2.55 1.50 0.08 4.11 1.09 0.19 -0.97 121.20 124.66 2tun s ILE 83 Ca -0.05 -0.63 0.07 0.00 -1.10 0.00 0.00 60.65 58.94 2tun s ILE 83 Cb -0.01 -1.38 -0.04 0.00 -1.06 0.00 0.00 42.46 39.96 2tun s ILE 83 CO -0.04 0.44 -0.15 0.54 -0.10 0.00 0.00 174.94 175.63 2tun s VAL 84 N 1.15 3.03 0.34 2.92 0.11 -1.15 -0.31 120.40 126.49 2tun s VAL 84 Ca -0.03 -1.28 0.10 0.00 -2.93 0.00 0.00 61.98 57.84 2tun s VAL 84 Cb -0.14 -2.36 0.33 0.00 -1.53 0.00 0.00 36.38 32.68 2tun s VAL 84 CO -0.04 0.20 1.78 -0.37 -3.33 0.00 0.00 175.10 173.34 2tun h VAL 85 N 3.61 0.66 0.00 2.04 -1.51 -1.82 -1.57 116.25 117.66 2tun h VAL 85 Ca -0.49 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2tun h VAL 85 Cb 1.16 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2tun h VAL 85 CO 0.49 0.12 0.00 -1.54 -1.23 0.00 0.00 177.57 175.40 2tun n SER 86 N -4.72 0.00 -4.26 4.19 3.41 -1.26 -4.22 113.62 106.76 2tun n SER 86 Ca 0.23 0.45 -0.43 0.00 -0.26 0.00 0.00 58.87 58.86 2tun n SER 86 Cb 0.66 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2tun n SER 86 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2tun n TYR 87 N -1.30 4.25 -1.95 7.33 4.01 -1.09 -4.92 117.16 123.48 2tun n TYR 87 Ca 0.00 -3.01 -0.24 0.00 -0.16 0.00 0.00 57.90 54.49 2tun n TYR 87 Cb 0.00 -2.37 -0.06 0.00 -0.31 0.00 0.00 39.34 36.60 2tun n TYR 87 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2tun s GLN 88 N 2.59 2.32 -0.28 -0.72 -0.21 -0.61 -2.94 119.66 119.81 2tun s GLN 88 Ca 0.47 -0.33 -0.32 0.00 0.02 0.00 0.00 55.36 55.20 2tun s GLN 88 Cb 0.05 -5.05 0.18 0.00 1.00 0.00 0.00 33.01 29.19 2tun s GLN 88 CO 0.01 -3.77 1.36 -0.08 -2.12 0.00 0.00 175.29 170.70 2tun s THR 89 N 11.36 0.00 -0.55 -0.19 -1.32 -1.26 -5.00 115.64 118.68 2tun s THR 89 Ca 0.74 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.94 2tun s THR 89 Cb -0.07 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.95 2tun s THR 89 CO 0.04 0.00 1.22 -0.75 -2.21 0.00 0.00 174.62 172.92 2tun s LYS 90 N -1.35 3.53 0.15 7.08 2.20 -1.26 -4.05 119.74 126.04 2tun s LYS 90 Ca 0.10 0.37 0.04 0.00 -0.36 0.00 0.00 55.97 56.12 2tun s LYS 90 Cb -0.01 -4.01 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 2tun s LYS 90 CO -0.06 -1.65 0.15 0.08 -0.36 0.00 0.00 175.35 173.50 2tun s VAL 91 N 5.01 4.60 -0.17 4.02 1.01 -0.14 -4.95 120.40 129.78 2tun s VAL 91 Ca 0.46 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2tun s VAL 91 Cb -0.08 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2tun s VAL 91 CO 0.27 -0.07 0.68 0.21 0.00 0.00 0.00 175.10 176.19 2tun s ASN 92 N -3.00 6.79 -0.01 3.32 2.47 -1.26 -1.96 114.94 121.29 2tun s ASN 92 Ca 0.31 0.96 -0.01 0.00 0.42 0.00 0.00 52.86 54.54 2tun s ASN 92 Cb -0.11 -2.38 -0.00 0.00 -1.45 0.00 0.00 41.25 37.31 2tun s ASN 92 CO 0.24 -0.27 -0.02 0.18 -3.72 0.00 0.00 177.10 173.51 2tun n LEU 93 N 4.85 0.10 -3.92 3.21 4.77 -1.04 -4.97 117.00 120.00 2tun n LEU 93 Ca -0.00 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 2tun n LEU 93 Cb 0.50 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.98 2tun n LEU 93 CO 0.45 -0.49 -0.43 -0.76 -1.33 0.00 0.00 177.39 174.83 2tun s LEU 94 N -5.16 1.71 0.29 2.23 1.43 -0.88 -5.04 118.68 113.27 2tun s LEU 94 Ca -0.01 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 2tun s LEU 94 Cb 0.00 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.18 2tun s LEU 94 CO 0.02 -0.17 -0.06 -0.94 0.23 0.00 0.00 176.35 175.43 2tun s SER 95 N 1.59 2.88 -0.25 2.29 1.04 -1.26 0.85 113.70 120.83 2tun s SER 95 Ca 0.01 -1.19 -0.26 0.00 0.48 0.00 0.00 55.95 54.99 2tun s SER 95 Cb -0.15 -0.19 0.10 0.00 0.10 0.00 0.00 66.02 65.88 2tun s SER 95 CO -0.08 -0.33 0.91 0.00 0.98 0.00 0.00 173.24 174.72 2tun s ALA 96 N -2.97 -1.90 0.06 5.32 0.00 -0.10 -4.98 121.76 117.20 2tun s ALA 96 Ca 0.30 1.85 0.08 0.00 0.00 0.00 0.00 51.96 54.19 2tun s ALA 96 Cb 0.04 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2tun s ALA 96 CO 0.13 -0.28 -0.21 0.42 0.00 0.00 0.00 175.76 175.81 2tun s ILE 97 N 0.03 1.73 -0.04 0.00 1.01 -1.26 -0.95 121.20 121.72 2tun s ILE 97 Ca 0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 60.65 59.33 2tun s ILE 97 Cb -0.04 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.94 2tun s ILE 97 CO -0.02 0.15 0.08 -0.75 0.00 0.00 0.00 174.94 174.40 2tun s LYS 98 N -1.38 0.04 -0.47 2.79 2.20 0.20 -4.97 119.74 118.15 2tun s LYS 98 Ca 0.08 0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.76 2tun s LYS 98 Cb -0.09 -0.13 0.08 0.00 -1.51 0.00 0.00 37.83 36.19 2tun s LYS 98 CO 0.03 -0.11 0.38 0.45 -0.36 0.00 0.00 175.35 175.73 2tun s SER 99 N 0.74 6.03 -0.06 1.43 0.15 -1.26 -1.24 113.70 119.48 2tun s SER 99 Ca -0.06 -1.46 -0.04 0.00 0.70 0.00 0.00 55.95 55.09 2tun s SER 99 Cb -0.08 -2.14 -0.27 0.00 -1.71 0.00 0.00 66.02 61.82 2tun s SER 99 CO -0.03 -0.66 0.61 1.55 1.20 0.00 0.00 173.24 175.91 2tun h PRO 100 N 8.69 0.26 -5.58 5.44 0.13 -1.98 -3.48 132.00 135.48 2tun h PRO 100 Ca -0.27 -0.44 -0.50 0.00 -0.87 0.00 0.00 66.00 63.92 2tun h PRO 100 Cb 1.10 0.16 -0.26 0.00 0.13 0.00 0.00 31.00 32.14 2tun h PRO 100 CO 0.88 1.12 -0.81 0.00 -0.23 0.00 0.00 178.00 178.95 2tun n GLN 102 N 2.02 0.00 -3.37 0.00 1.13 -1.26 -4.70 117.38 111.20 2tun n GLN 102 Ca -0.17 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.63 2tun n GLN 102 Cb 0.54 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.81 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 0.00 1.19 -0.03 -1.09 3.00 -1.26 -4.81 116.66 113.66 2tun n ARG 103 Ca 0.00 -3.72 -0.08 0.00 -0.00 0.00 0.00 57.85 54.05 2tun n ARG 103 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 32.46 30.74 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 1.62 0.19 -0.02 -0.14 0.00 -1.26 -5.02 120.64 116.01 2tun n GLU 104 Ca 0.25 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.49 2tun n GLU 104 Cb 0.47 -0.82 0.00 0.00 0.00 0.00 0.00 31.44 31.09 2tun n GLU 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2tun n THR 105 N -3.51 0.00 -0.95 6.31 -2.24 -1.26 -4.56 114.28 108.07 2tun n THR 105 Ca -0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 2tun n THR 105 Cb 0.52 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.81 2tun n THR 105 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2tun n PRO 106 N 0.03 -0.08 0.18 -0.78 -0.02 -1.26 -4.97 135.00 128.09 2tun n PRO 106 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2tun n PRO 106 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.97 0.00 0.00 -0.52 4.07 -1.26 -5.03 120.64 118.87 2tun n GLU 107 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 2tun n GLU 107 Cb 0.55 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.93 2tun n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2tun n GLY 108 N -0.02 -2.51 3.96 8.31 0.00 -1.26 -4.91 105.19 108.75 2tun n GLY 108 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 2tun n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tun s ALA 109 N -2.22 4.45 0.54 4.61 0.00 -1.26 -5.10 121.76 122.78 2tun s ALA 109 Ca 0.00 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 49.98 2tun s ALA 109 Cb 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2tun s ALA 109 CO 0.00 -0.51 1.27 -2.00 0.00 0.00 0.00 175.76 174.52 2tun s GLU 110 N -4.38 3.25 -0.40 0.00 2.12 -1.26 -4.84 118.70 113.19 2tun s GLU 110 Ca 0.50 2.01 -0.35 0.00 0.36 0.00 0.00 54.97 57.49 2tun s GLU 110 Cb -0.05 -2.21 -0.12 0.00 0.26 0.00 0.00 34.13 32.02 2tun s GLU 110 CO 0.30 -1.04 2.23 0.00 -0.54 0.00 0.00 175.26 176.22 2tun n ALA 111 N -1.04 1.00 -2.59 6.30 0.00 -1.26 -4.95 120.51 117.96 2tun n ALA 111 Ca 0.10 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 2tun n ALA 111 Cb 0.47 -2.56 -0.04 0.00 0.00 0.00 0.00 19.45 17.32 2tun n ALA 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2tun s LYS 112 N 6.51 4.54 0.01 0.00 -2.85 -1.26 -3.14 119.74 123.55 2tun s LYS 112 Ca 1.11 1.24 -0.30 0.00 -1.00 0.00 0.00 55.97 57.02 2tun s LYS 112 Cb -0.85 -3.43 -0.07 0.00 -2.06 0.00 0.00 37.83 31.42 2tun s LYS 112 CO 0.48 0.07 1.60 -1.25 0.10 0.00 0.00 175.35 176.35 2tun s PRO 113 N 0.64 4.21 0.00 1.78 0.04 -1.26 -1.71 135.00 138.71 2tun s PRO 113 Ca 0.46 2.19 -0.01 0.00 0.04 0.00 0.00 61.00 63.68 2tun s PRO 113 Cb -0.20 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2tun s PRO 113 CO 0.25 -0.74 0.13 1.67 0.04 0.00 0.00 177.00 178.35 2tun s TRP 114 N 3.12 3.39 -0.05 0.56 1.48 -0.74 -4.90 118.94 121.80 2tun s TRP 114 Ca 0.71 0.26 0.02 0.00 -1.06 0.00 0.00 56.10 56.03 2tun s TRP 114 Cb -0.35 -1.76 0.02 0.00 -1.16 0.00 0.00 33.47 30.21 2tun s TRP 114 CO 0.30 0.59 -0.08 0.71 -4.06 0.00 0.00 176.95 174.41 2tun s TYR 115 N -1.28 1.06 -0.34 1.66 1.51 -1.26 -2.92 117.35 115.78 2tun s TYR 115 Ca 0.26 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 2tun s TYR 115 Cb -0.12 -0.83 0.11 0.00 -0.11 0.00 0.00 41.96 41.01 2tun s TYR 115 CO 0.17 -0.22 0.15 -1.21 -1.11 0.00 0.00 175.55 173.33 2tun s GLU 116 N 0.74 0.69 0.22 -0.62 0.41 -0.17 -5.01 118.70 114.97 2tun s GLU 116 Ca -0.12 -1.18 -0.27 0.00 -0.41 0.00 0.00 54.97 52.99 2tun s GLU 116 Cb -0.15 -1.80 -0.09 0.00 -1.78 0.00 0.00 34.13 30.32 2tun s GLU 116 CO 0.02 -1.06 0.86 -1.25 -0.49 0.00 0.00 175.26 173.34 2tun s PRO 117 N 1.40 4.66 -0.38 0.39 0.04 -1.26 -1.51 135.00 138.34 2tun s PRO 117 Ca 0.12 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.47 2tun s PRO 117 Cb -0.19 -3.16 0.11 0.00 0.04 0.00 0.00 34.50 31.30 2tun s PRO 117 CO -0.19 0.49 0.14 0.42 0.04 0.00 0.00 177.00 177.90 2tun s ILE 118 N -1.27 1.72 -0.21 0.56 -1.09 0.69 -4.97 121.20 116.64 2tun s ILE 118 Ca 0.41 -2.27 -0.09 0.00 -2.23 0.00 0.00 60.65 56.46 2tun s ILE 118 Cb -0.23 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.35 2tun s ILE 118 CO 0.28 -0.72 0.12 -0.47 -1.23 0.00 0.00 174.94 172.92 2tun s TYR 119 N 0.80 3.32 0.08 3.97 6.14 -1.26 -2.72 117.35 127.68 2tun s TYR 119 Ca 0.13 0.19 -0.07 0.00 0.64 0.00 0.00 57.07 57.97 2tun s TYR 119 Cb -0.21 -2.18 -0.01 0.00 0.42 0.00 0.00 41.96 39.98 2tun s TYR 119 CO -0.10 0.14 0.13 -0.48 0.64 0.00 0.00 175.55 175.89 2tun s LEU 120 N 0.68 1.70 0.00 6.97 2.34 -1.02 -5.04 118.68 124.30 2tun s LEU 120 Ca 0.06 -0.74 0.00 0.00 0.06 0.00 0.00 54.13 53.52 2tun s LEU 120 Cb -0.12 0.82 0.00 0.00 -0.56 0.00 0.00 46.19 46.33 2tun s LEU 120 CO 0.01 -0.70 0.00 0.61 -1.06 0.00 0.00 176.35 175.22 2tun n GLY 121 N -0.01 0.70 0.00 -3.48 0.00 -1.26 -2.65 105.19 98.49 2tun n GLY 121 Ca -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2tun n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tun n GLY 122 N -0.04 3.30 3.79 -0.02 0.00 -1.05 -5.03 105.19 106.14 2tun n GLY 122 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.64 4.11 0.28 1.61 1.01 -1.26 -3.66 120.40 121.85 2tun s VAL 123 Ca 0.00 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 2tun s VAL 123 Cb 0.00 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2tun s VAL 123 CO 0.00 0.04 0.38 -0.36 0.00 0.00 0.00 175.10 175.16 2tun s PHE 124 N -1.71 0.91 -0.69 5.22 0.08 -1.20 -5.00 117.98 115.59 2tun s PHE 124 Ca 0.54 -1.16 -0.19 0.00 0.12 0.00 0.00 56.93 56.24 2tun s PHE 124 Cb -0.18 -0.15 0.12 0.00 -0.57 0.00 0.00 43.02 42.23 2tun s PHE 124 CO 0.23 -0.95 0.83 -1.14 -0.10 0.00 0.00 175.22 174.08 2tun s GLN 125 N -3.66 3.22 0.27 0.44 -0.44 -1.26 -2.26 119.66 115.97 2tun s GLN 125 Ca 0.31 -1.47 0.01 0.00 -2.50 0.00 0.00 55.36 51.71 2tun s GLN 125 Cb 0.01 -4.40 -0.04 0.00 -1.64 0.00 0.00 33.01 26.95 2tun s GLN 125 CO 0.15 -1.60 0.44 -0.51 0.50 0.00 0.00 175.29 174.28 2tun s LEU 126 N 2.58 4.17 0.00 3.68 1.43 -0.84 -4.99 118.68 124.71 2tun s LEU 126 Ca 0.18 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 2tun s LEU 126 Cb -0.18 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 2tun s LEU 126 CO 0.02 -0.15 0.17 -0.62 0.23 0.00 0.00 176.35 176.01 2tun n GLU 127 N -1.26 0.50 -2.32 1.70 1.02 -1.26 -1.11 120.64 117.91 2tun n GLU 127 Ca -0.06 -2.88 -0.41 0.00 -0.02 0.00 0.00 57.16 53.80 2tun n GLU 127 Cb 0.55 1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 33.85 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 -3.24 4.50 0.00 3.49 2.20 -1.25 -2.97 119.74 122.46 2tun s LYS 128 Ca 0.25 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 2tun s LYS 128 Cb 0.01 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2tun s LYS 128 CO 0.17 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 2tun n GLY 129 N 1.43 0.60 3.68 5.54 0.00 -0.13 -4.61 105.19 111.70 2tun n GLY 129 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.04 6.84 -0.14 1.61 1.11 -1.16 -4.08 116.67 118.81 2tun s ASP 130 Ca 0.00 1.02 -0.06 0.00 0.18 0.00 0.00 52.55 53.69 2tun s ASP 130 Cb 0.00 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.56 2tun s ASP 130 CO 0.00 -0.26 0.08 0.00 1.18 0.00 0.00 175.17 176.17 2tun s ARG 131 N 1.64 3.58 -0.13 8.23 3.03 0.57 -1.27 118.95 134.60 2tun s ARG 131 Ca 0.33 -0.28 0.03 0.00 2.03 0.00 0.00 55.73 57.84 2tun s ARG 131 Cb -0.16 -3.12 0.01 0.00 -1.03 0.00 0.00 34.95 30.65 2tun s ARG 131 CO 0.13 0.54 -0.22 -1.17 -1.13 0.00 0.00 175.30 173.45 2tun s LEU 132 N -0.38 2.11 -0.19 -1.89 0.20 -1.05 0.55 118.68 118.04 2tun s LEU 132 Ca 0.10 -0.60 -0.04 0.00 0.69 0.00 0.00 54.13 54.28 2tun s LEU 132 Cb -0.12 -1.44 -0.02 0.00 -0.43 0.00 0.00 46.19 44.18 2tun s LEU 132 CO 0.02 0.09 -0.02 -0.44 -0.29 0.00 0.00 176.35 175.71 2tun s SER 133 N 0.75 4.70 -0.42 3.68 0.01 0.60 -2.40 113.70 120.61 2tun s SER 133 Ca -0.09 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 2tun s SER 133 Cb -0.16 -1.79 0.10 0.00 0.21 0.00 0.00 66.02 64.38 2tun s SER 133 CO -0.01 0.08 0.26 0.00 0.41 0.00 0.00 173.24 173.98 2tun s ALA 134 N 0.89 3.26 0.34 1.44 0.00 -1.26 0.56 121.76 126.99 2tun s ALA 134 Ca 0.00 -2.32 0.03 0.00 0.00 0.00 0.00 51.96 49.67 2tun s ALA 134 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2tun s ALA 134 CO 0.02 -1.73 0.10 -1.21 0.00 0.00 0.00 175.76 172.93 2tun s GLU 135 N 1.33 1.70 0.33 0.00 2.02 -0.81 -5.03 118.70 118.24 2tun s GLU 135 Ca 0.04 -1.98 0.06 0.00 0.02 0.00 0.00 54.97 53.11 2tun s GLU 135 Cb -0.24 -0.59 -0.02 0.00 0.10 0.00 0.00 34.13 33.38 2tun s GLU 135 CO -0.00 -0.34 0.31 0.44 0.02 0.00 0.00 175.26 175.70 2tun n ILE 136 N -0.71 0.00 -0.07 -1.63 -5.35 -1.26 -1.05 119.36 109.29 2tun n ILE 136 Ca -0.03 -2.25 -0.08 0.00 -0.27 0.00 0.00 62.75 60.12 2tun n ILE 136 Cb 0.66 1.16 -0.06 0.00 -1.74 0.00 0.00 39.64 39.66 2tun n ILE 136 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2tun h ASN 137 N 1.98 0.00 -2.90 7.28 -1.07 -1.94 -3.47 115.58 115.46 2tun h ASN 137 Ca -0.23 -0.40 -0.34 0.00 0.07 0.00 0.00 56.30 55.39 2tun h ASN 137 Cb 1.16 0.00 -0.37 0.00 -2.07 0.00 0.00 38.32 37.04 2tun h ASN 137 CO 0.34 0.83 -0.66 -0.13 0.07 0.00 0.00 177.43 177.87 2tun s ARG 138 N -1.98 0.09 0.04 4.14 0.52 -1.26 -5.02 118.95 115.48 2tun s ARG 138 Ca -0.12 0.29 0.08 0.00 -0.52 0.00 0.00 55.73 55.46 2tun s ARG 138 Cb 0.00 -0.96 0.37 0.00 0.52 0.00 0.00 34.95 34.88 2tun s ARG 138 CO 0.34 -0.51 1.26 -2.30 0.02 0.00 0.00 175.30 174.11 2tun n PRO 139 N 5.31 0.02 0.00 3.54 -0.02 -1.26 -3.66 135.00 138.93 2tun n PRO 139 Ca -0.05 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2tun n PRO 139 Cb 0.50 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2tun n PRO 139 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2tun n ASP 140 N -1.61 0.00 -0.54 2.55 5.75 -1.26 -1.63 116.55 119.81 2tun n ASP 140 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.83 2tun n ASP 140 Cb 0.07 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.94 0.00 -2.85 2.11 4.01 -1.24 -5.02 117.16 113.22 2tun n TYR 141 Ca 0.00 -0.41 -0.41 0.00 -0.16 0.00 0.00 57.90 56.91 2tun n TYR 141 Cb 0.00 -0.10 -0.04 0.00 -0.31 0.00 0.00 39.34 38.89 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 -0.92 4.24 -0.13 7.72 1.43 -0.65 0.11 118.68 130.48 2tun s LEU 142 Ca 0.15 1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 54.38 2tun s LEU 142 Cb 0.15 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2tun s LEU 142 CO -0.02 -0.34 0.50 -0.22 0.23 0.00 0.00 176.35 176.50 2tun s LEU 143 N 1.74 4.25 -0.22 1.79 2.96 -1.03 -4.83 118.68 123.34 2tun s LEU 143 Ca 0.42 0.81 -0.16 0.00 -0.22 0.00 0.00 54.13 54.98 2tun s LEU 143 Cb -0.18 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 2tun s LEU 143 CO 0.16 -0.05 0.39 0.72 -1.32 0.00 0.00 176.35 176.26 2tun s PHE 144 N 0.88 3.34 0.00 5.38 -0.12 -1.26 -4.43 117.98 121.77 2tun s PHE 144 Ca 0.26 0.57 0.00 0.00 -0.05 0.00 0.00 56.93 57.71 2tun s PHE 144 Cb -0.15 -2.54 0.00 0.00 -0.63 0.00 0.00 43.02 39.70 2tun s PHE 144 CO 0.11 -0.07 0.00 0.00 -0.05 0.00 0.00 175.22 175.21 2tun n ALA 145 N 4.69 0.00 -1.73 1.99 0.00 -1.26 -5.11 120.51 119.10 2tun n ALA 145 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 2tun n ALA 145 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 2tun n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2tun n GLU 146 N 0.00 1.48 -0.06 0.00 1.02 -1.26 -4.60 120.64 117.21 2tun n GLU 146 Ca 0.00 -2.22 -0.08 0.00 -0.02 0.00 0.00 57.16 54.84 2tun n GLU 146 Cb 0.00 -3.45 -0.07 0.00 -0.02 0.00 0.00 31.44 27.90 2tun n GLU 146 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2tun h SER 147 N 9.22 0.00 -0.24 1.62 4.64 -1.96 -3.41 113.55 123.42 2tun h SER 147 Ca 0.28 -0.49 -0.21 0.00 -0.47 0.00 0.00 61.79 60.90 2tun h SER 147 Cb 0.85 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.66 2tun h SER 147 CO 1.47 0.81 -0.73 0.61 -0.87 0.00 0.00 176.83 178.11 2tun n GLY 148 N 1.67 1.90 0.07 -0.77 0.00 -1.26 -4.96 105.19 101.85 2tun n GLY 148 Ca -0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2tun n GLY 148 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2tun h GLN 149 N 1.88 0.00 -3.79 1.61 5.75 -1.81 -3.46 115.11 115.28 2tun h GLN 149 Ca -0.28 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 57.77 2tun h GLN 149 Cb 1.28 0.00 -0.38 0.00 1.07 0.00 0.00 27.48 29.46 2tun h GLN 149 CO 0.01 0.79 -0.77 0.08 -2.65 0.00 0.00 178.83 176.29 2tun s VAL 150 N -2.15 0.48 0.19 2.39 1.01 -1.26 0.29 120.40 121.35 2tun s VAL 150 Ca -0.18 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 2tun s VAL 150 Cb -0.00 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.81 2tun s VAL 150 CO 0.54 0.28 0.80 -0.72 0.00 0.00 0.00 175.10 175.99 2tun s TYR 151 N 1.90 -0.24 -0.12 5.22 -0.85 -0.11 -3.31 117.35 119.84 2tun s TYR 151 Ca 0.05 -0.09 -0.15 0.00 -0.52 0.00 0.00 57.07 56.35 2tun s TYR 151 Cb -0.12 0.64 0.04 0.00 0.38 0.00 0.00 41.96 42.90 2tun s TYR 151 CO -0.06 -0.97 0.40 0.12 -1.52 0.00 0.00 175.55 173.53 2tun s PHE 152 N -3.60 -0.40 -0.01 -3.49 5.36 0.40 -1.65 117.98 114.59 2tun s PHE 152 Ca 0.09 0.93 -0.28 0.00 -0.96 0.00 0.00 56.93 56.71 2tun s PHE 152 Cb -0.03 0.15 0.09 0.00 -0.34 0.00 0.00 43.02 42.89 2tun s PHE 152 CO 0.01 -0.27 0.75 0.20 -1.46 0.00 0.00 175.22 174.45 2tun s GLY 153 N -0.14 -0.52 0.14 13.12 0.00 0.16 -0.08 107.32 120.00 2tun s GLY 153 Ca -0.03 1.18 0.07 0.00 0.00 0.00 0.00 44.72 45.93 2tun s GLY 153 CO 0.02 0.66 -0.15 -0.26 0.00 0.00 0.00 173.10 173.37 2tun s ILE 154 N -2.16 1.46 0.08 0.90 -4.36 0.10 0.43 121.20 117.66 2tun s ILE 154 Ca -0.04 -1.80 -0.13 0.00 -0.26 0.00 0.00 60.65 58.43 2tun s ILE 154 Cb -0.01 -1.64 0.02 0.00 1.25 0.00 0.00 42.46 42.08 2tun s ILE 154 CO -0.01 -0.41 0.29 -0.63 0.24 0.00 0.00 174.94 174.42 2tun s ILE 155 N -2.19 0.10 0.17 8.37 -1.09 -0.03 -0.93 121.20 125.60 2tun s ILE 155 Ca 0.11 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 2tun s ILE 155 Cb -0.05 -1.11 -0.05 0.00 -1.58 0.00 0.00 42.46 39.68 2tun s ILE 155 CO 0.04 -0.45 0.00 0.00 -1.23 0.00 0.00 174.94 173.31 2tun s ALA 156 N -3.24 1.35 0.00 9.38 0.00 -1.12 0.07 121.76 128.20 2tun s ALA 156 Ca -0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2tun s ALA 156 Cb 0.02 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2tun s ALA 156 CO -0.08 -0.32 0.00 1.28 0.00 0.00 0.00 175.76 176.64