#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 -2.34 -0.78 -0.01 -1.26 -5.19 135.00 125.42 2tun n PRO 8 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 63.50 63.22 2tun n PRO 8 Cb 0.00 -1.16 0.03 0.00 -0.01 0.00 0.00 33.50 32.36 2tun n PRO 8 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 2tun s SER 9 N -0.42 5.57 -0.39 2.55 0.15 -1.26 -4.94 113.70 114.97 2tun s SER 9 Ca 0.72 0.76 -0.06 0.00 0.70 0.00 0.00 55.95 58.07 2tun s SER 9 Cb -1.02 -1.72 -0.13 0.00 -1.71 0.00 0.00 66.02 61.44 2tun s SER 9 CO 0.52 -1.10 3.24 -0.67 1.20 0.00 0.00 173.24 176.43 2tun n ASP 10 N -2.63 6.15 -3.89 5.45 -0.08 -1.26 -4.86 116.55 115.43 2tun n ASP 10 Ca 0.05 -2.74 -0.13 0.00 -1.51 0.00 0.00 54.79 50.46 2tun n ASP 10 Cb 0.58 -1.38 -0.14 0.00 2.34 0.00 0.00 41.12 42.51 2tun n ASP 10 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2tun s LYS 11 N 0.23 0.12 -0.02 -0.67 2.20 -1.26 -5.12 119.74 115.21 2tun s LYS 11 Ca 0.64 -0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.92 2tun s LYS 11 Cb 0.31 -0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.45 2tun s LYS 11 CO -0.08 0.02 1.42 -1.25 -0.36 0.00 0.00 175.35 175.11 2tun s PRO 12 N 0.05 4.26 -0.17 4.03 0.04 -1.25 -4.50 135.00 137.46 2tun s PRO 12 Ca -0.00 1.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 2tun s PRO 12 Cb -0.02 -3.65 0.06 0.00 0.04 0.00 0.00 34.50 30.94 2tun s PRO 12 CO -0.00 -0.63 0.40 0.54 0.04 0.00 0.00 177.00 177.35 2tun s VAL 13 N 2.74 -0.08 0.08 -0.36 0.11 -1.26 -2.36 120.40 119.26 2tun s VAL 13 Ca 0.64 0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.88 2tun s VAL 13 Cb -0.31 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2tun s VAL 13 CO 0.26 0.04 -0.22 0.00 -3.33 0.00 0.00 175.10 171.85 2tun s ALA 14 N 1.51 1.92 -0.38 1.54 0.00 0.01 -2.39 121.76 123.97 2tun s ALA 14 Ca -0.09 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.73 2tun s ALA 14 Cb -0.09 -0.32 0.18 0.00 0.00 0.00 0.00 23.12 22.89 2tun s ALA 14 CO -0.12 0.42 0.61 -1.58 0.00 0.00 0.00 175.76 175.08 2tun s HIS 15 N -0.98 -1.70 0.03 0.00 5.04 0.68 -0.47 115.29 117.89 2tun s HIS 15 Ca 0.08 0.39 0.02 0.00 -1.54 0.00 0.00 55.06 54.01 2tun s HIS 15 Cb -0.10 0.29 -0.04 0.00 0.04 0.00 0.00 32.58 32.77 2tun s HIS 15 CO 0.03 -1.15 0.04 0.14 -2.34 0.00 0.00 174.74 171.46 2tun s VAL 16 N 2.04 4.36 -0.12 0.89 -7.23 0.11 -1.23 120.40 119.23 2tun s VAL 16 Ca 0.15 -0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 2tun s VAL 16 Cb -0.06 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 2tun s VAL 16 CO -0.11 0.27 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.22 2tun s VAL 17 N -1.22 3.88 0.30 1.32 1.01 -1.04 -0.26 120.40 124.41 2tun s VAL 17 Ca 0.23 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2tun s VAL 17 Cb -0.12 -2.65 -0.11 0.00 0.00 0.00 0.00 36.38 33.50 2tun s VAL 17 CO 0.15 0.55 1.45 0.00 0.00 0.00 0.00 175.10 177.25 2tun s ALA 18 N -0.21 3.61 -0.30 5.51 0.00 -0.85 0.17 121.76 129.69 2tun s ALA 18 Ca 0.04 1.42 -0.34 0.00 0.00 0.00 0.00 51.96 53.07 2tun s ALA 18 Cb -0.13 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 2tun s ALA 18 CO 0.02 -0.84 2.15 -1.71 0.00 0.00 0.00 175.76 175.38 2tun n ASN 19 N 1.55 2.44 -0.11 0.00 5.15 0.49 -4.74 115.26 120.04 2tun n ASN 19 Ca 0.04 0.46 0.23 0.00 -0.60 0.00 0.00 54.58 54.71 2tun n ASN 19 Cb 0.40 -1.31 0.68 0.00 -0.53 0.00 0.00 39.78 39.01 2tun n ASN 19 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2tun h PRO 20 N 12.31 0.07 -3.64 1.20 0.11 -1.88 -3.29 132.00 136.88 2tun h PRO 20 Ca -0.32 -0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.16 2tun h PRO 20 Cb 1.30 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 32.00 2tun h PRO 20 CO 1.00 0.04 -0.71 -0.65 -0.21 0.00 0.00 178.00 177.48 2tun s GLN 21 N -5.06 1.42 0.00 1.05 1.11 -1.26 -4.95 119.66 111.97 2tun s GLN 21 Ca -0.06 -1.97 0.00 0.00 0.01 0.00 0.00 55.36 53.34 2tun s GLN 21 Cb 0.21 -2.77 0.00 0.00 -1.01 0.00 0.00 33.01 29.44 2tun s GLN 21 CO 0.76 -1.06 0.00 0.00 0.01 0.00 0.00 175.29 175.00 2tun n ALA 22 N 3.85 0.00 -2.71 6.09 0.00 -1.24 -5.12 120.51 121.37 2tun n ALA 22 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.07 2tun n ALA 22 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 2tun n ALA 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2tun s GLU 23 N 0.00 4.53 -2.06 0.00 4.04 -1.26 -4.05 118.70 119.90 2tun s GLU 23 Ca 0.00 1.30 0.00 0.00 0.04 0.00 0.00 54.97 56.31 2tun s GLU 23 Cb 0.00 -3.46 0.00 0.00 0.02 0.00 0.00 34.13 30.69 2tun s GLU 23 CO 0.00 -0.03 0.00 0.41 -1.84 0.00 0.00 175.26 173.80 2tun n GLY 24 N 2.95 1.53 2.95 -3.83 0.00 -1.26 -5.00 105.19 102.53 2tun n GLY 24 Ca 0.04 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.92 0.29 -1.16 1.61 -2.07 -1.26 -4.79 119.66 108.37 2tun s GLN 25 Ca 0.00 -0.28 -0.13 0.00 -1.82 0.00 0.00 55.36 53.14 2tun s GLN 25 Cb 0.00 -0.20 0.20 0.00 -1.09 0.00 0.00 33.01 31.93 2tun s GLN 25 CO 0.00 0.05 1.31 -1.17 -1.32 0.00 0.00 175.29 174.16 2tun s LEU 26 N -0.49 5.47 -1.13 2.60 2.96 -1.26 -4.83 118.68 122.00 2tun s LEU 26 Ca -0.03 -3.14 -0.15 0.00 -0.22 0.00 0.00 54.13 50.59 2tun s LEU 26 Cb -0.04 -2.34 0.17 0.00 0.50 0.00 0.00 46.19 44.48 2tun s LEU 26 CO -0.00 -0.62 1.34 -1.58 -1.32 0.00 0.00 176.35 174.17 2tun s GLN 27 N 0.73 3.97 0.01 1.98 2.00 -1.26 -4.96 119.66 122.13 2tun s GLN 27 Ca 0.38 -2.41 -0.35 0.00 -2.00 0.00 0.00 55.36 50.99 2tun s GLN 27 Cb -0.05 -5.00 -0.13 0.00 0.80 0.00 0.00 33.01 28.62 2tun s GLN 27 CO -0.03 -1.74 1.71 0.91 -0.50 0.00 0.00 175.29 175.64 2tun n TRP 28 N 5.74 2.22 -4.93 1.67 7.02 -1.26 -0.38 117.44 127.51 2tun n TRP 28 Ca 0.33 0.20 -0.33 0.00 -1.02 0.00 0.00 57.50 56.68 2tun n TRP 28 Cb 0.44 -2.57 -0.15 0.00 -2.42 0.00 0.00 31.31 26.61 2tun n TRP 28 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2tun s LEU 29 N 2.51 2.55 0.00 -0.99 2.96 0.45 -4.82 118.68 121.34 2tun s LEU 29 Ca 0.87 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2tun s LEU 29 Cb -0.74 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 44.42 2tun s LEU 29 CO 0.47 0.23 0.04 -0.46 -1.32 0.00 0.00 176.35 175.31 2tun n ASN 30 N 3.08 0.87 -3.24 3.68 2.04 -1.26 -2.48 115.26 117.95 2tun n ASN 30 Ca -0.18 -1.15 -0.18 0.00 -0.44 0.00 0.00 54.58 52.63 2tun n ASN 30 Cb 0.52 -0.01 0.08 0.00 -2.53 0.00 0.00 39.78 37.84 2tun n ASN 30 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2tun n ARG 31 N -0.75 -6.54 -4.47 -3.83 5.12 -1.26 -5.02 116.66 99.91 2tun n ARG 31 Ca 0.00 0.76 -0.23 0.00 -1.93 0.00 0.00 57.85 56.45 2tun n ARG 31 Cb 0.05 -5.54 -0.10 0.00 -1.16 0.00 0.00 32.46 25.70 2tun n ARG 31 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2tun s ARG 32 N -5.66 1.65 0.00 5.56 0.52 -1.26 -5.10 118.95 114.65 2tun s ARG 32 Ca 0.24 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2tun s ARG 32 Cb -0.11 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 34.02 2tun s ARG 32 CO 0.66 0.07 0.47 0.00 0.02 0.00 0.00 175.30 176.52 2tun n ALA 33 N -0.66 0.00 -0.64 2.13 0.00 -1.26 -3.74 120.51 116.34 2tun n ALA 33 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2tun n ALA 33 Cb 0.63 0.11 0.24 0.00 0.00 0.00 0.00 19.45 20.44 2tun n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2tun n ASN 34 N -0.70 4.25 -4.61 0.00 3.02 -1.26 -4.88 115.26 111.09 2tun n ASN 34 Ca 0.00 -2.99 -0.34 0.00 -0.03 0.00 0.00 54.58 51.21 2tun n ASN 34 Cb 0.00 -0.71 -0.10 0.00 -0.61 0.00 0.00 39.78 38.36 2tun n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2tun s ALA 35 N -2.51 3.20 -0.01 5.41 0.00 -1.25 -5.12 121.76 121.49 2tun s ALA 35 Ca 0.44 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2tun s ALA 35 Cb 0.36 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2tun s ALA 35 CO 0.11 0.38 -0.10 -0.51 0.00 0.00 0.00 175.76 175.64 2tun s LEU 36 N -0.20 3.02 -0.31 0.00 1.02 -0.36 -4.47 118.68 117.37 2tun s LEU 36 Ca 0.05 -0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.05 2tun s LEU 36 Cb -0.13 -1.71 0.16 0.00 0.02 0.00 0.00 46.19 44.53 2tun s LEU 36 CO 0.02 0.30 0.42 -0.22 0.02 0.00 0.00 176.35 176.89 2tun s LEU 37 N -1.22 -0.73 0.00 1.79 2.96 -1.26 0.25 118.68 120.47 2tun s LEU 37 Ca 0.15 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 2tun s LEU 37 Cb -0.11 1.08 0.00 0.00 0.50 0.00 0.00 46.19 47.66 2tun s LEU 37 CO 0.05 -0.32 0.00 0.00 -1.32 0.00 0.00 176.35 174.76 2tun n ALA 38 N 5.08 0.00 -0.69 5.97 0.00 -1.00 -5.03 120.51 124.84 2tun n ALA 38 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 2tun n ALA 38 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.88 0.00 0.00 3.02 -1.26 -3.06 115.26 113.08 2tun n ASN 39 Ca 0.00 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 2tun n ASN 39 Cb 0.00 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 2tun n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2tun n GLY 40 N 2.71 0.94 3.68 7.41 0.00 -1.26 -3.91 105.19 114.76 2tun n GLY 40 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2tun n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tun s VAL 41 N 0.00 3.46 0.00 1.61 0.11 -1.17 -4.67 120.40 119.74 2tun s VAL 41 Ca 0.00 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 2tun s VAL 41 Cb 0.00 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 2tun s VAL 41 CO 0.00 -0.02 0.00 -1.84 -3.33 0.00 0.00 175.10 169.91 2tun n GLU 42 N 6.00 2.44 -3.69 1.54 -0.00 -1.09 -3.82 120.64 122.02 2tun n GLU 42 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 57.02 2tun n GLU 42 Cb 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 31.44 31.72 2tun n GLU 42 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2tun s LEU 43 N 0.00 2.20 0.00 -1.84 2.96 -1.26 -2.94 118.68 117.80 2tun s LEU 43 Ca 0.00 -2.01 0.00 0.00 -0.22 0.00 0.00 54.13 51.90 2tun s LEU 43 Cb 0.00 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.83 2tun s LEU 43 CO 0.00 -0.36 0.00 -1.14 -1.32 0.00 0.00 176.35 173.53 2tun n ARG 44 N 4.35 0.00 0.00 1.98 0.00 -0.89 -4.64 116.66 117.47 2tun n ARG 44 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2tun n ARG 44 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.85 2tun n ARG 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2tun n ASP 45 N 0.00 1.68 0.00 6.15 2.03 -1.26 -4.50 116.55 120.65 2tun n ASP 45 Ca 0.00 -1.35 0.00 0.00 0.52 0.00 0.00 54.79 53.96 2tun n ASP 45 Cb 0.00 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 2tun n ASP 45 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2tun n ASN 46 N 0.53 -2.84 -4.23 1.67 5.15 -1.26 -5.01 115.26 109.27 2tun n ASN 46 Ca 0.00 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 2tun n ASN 46 Cb 0.29 -0.47 -0.17 0.00 -0.53 0.00 0.00 39.78 38.90 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 -0.94 2.97 -0.59 1.20 -0.21 -1.26 -4.80 119.66 116.04 2tun s GLN 47 Ca 0.00 -0.88 -0.28 0.00 0.02 0.00 0.00 55.36 54.23 2tun s GLN 47 Cb 0.00 -2.29 0.02 0.00 1.00 0.00 0.00 33.01 31.74 2tun s GLN 47 CO 0.00 0.22 1.40 -1.17 -2.12 0.00 0.00 175.29 173.62 2tun s LEU 48 N 0.25 3.37 -0.17 2.90 0.20 0.15 -2.10 118.68 123.29 2tun s LEU 48 Ca -0.16 0.19 -0.12 0.00 0.69 0.00 0.00 54.13 54.73 2tun s LEU 48 Cb -0.17 -2.98 -0.05 0.00 -0.43 0.00 0.00 46.19 42.56 2tun s LEU 48 CO 0.08 -1.74 0.22 -0.69 -0.29 0.00 0.00 176.35 173.93 2tun s VAL 49 N 6.07 5.36 -0.01 1.68 1.01 -1.15 0.21 120.40 133.58 2tun s VAL 49 Ca 0.50 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.79 2tun s VAL 49 Cb -0.10 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2tun s VAL 49 CO 0.24 0.43 0.28 -0.69 0.00 0.00 0.00 175.10 175.36 2tun s VAL 50 N 0.26 5.28 -0.11 2.92 1.01 -0.74 -2.67 120.40 126.35 2tun s VAL 50 Ca 0.13 0.28 0.16 0.00 0.00 0.00 0.00 61.98 62.55 2tun s VAL 50 Cb -0.12 -3.57 -0.22 0.00 0.00 0.00 0.00 36.38 32.47 2tun s VAL 50 CO 0.02 0.42 0.53 -0.81 0.00 0.00 0.00 175.10 175.26 2tun n PRO 51 N 1.31 0.65 -1.33 2.72 -0.04 -1.26 -3.22 135.00 133.83 2tun n PRO 51 Ca -0.13 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2tun n PRO 51 Cb 0.53 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 2tun n PRO 51 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2tun n SER 52 N -2.87 1.68 -3.86 3.54 3.41 -1.26 -4.40 113.62 109.86 2tun n SER 52 Ca -0.19 -0.72 -0.16 0.00 -0.26 0.00 0.00 58.87 57.54 2tun n SER 52 Cb 0.99 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.85 2tun n SER 52 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2tun s GLU 53 N -1.08 1.47 0.00 4.33 -1.05 -1.26 -3.62 118.70 117.49 2tun s GLU 53 Ca 0.00 -1.82 0.00 0.00 -0.15 0.00 0.00 54.97 53.00 2tun s GLU 53 Cb 0.00 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 2tun s GLU 53 CO 0.00 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.13 2tun n GLY 54 N -0.45 0.69 3.31 -3.83 0.00 -0.75 -5.01 105.19 99.15 2tun n GLY 54 Ca 0.04 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 2.15 -0.00 0.99 1.43 -1.26 -2.54 118.68 119.44 2tun s LEU 55 Ca 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2tun s LEU 55 Cb 0.00 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2tun s LEU 55 CO 0.00 0.29 -0.01 -0.31 0.23 0.00 0.00 176.35 176.54 2tun s TYR 56 N -0.40 0.15 -0.36 0.29 1.51 0.64 -0.65 117.35 118.53 2tun s TYR 56 Ca 0.04 -0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 55.88 2tun s TYR 56 Cb -0.12 -0.12 0.00 0.00 -0.11 0.00 0.00 41.96 41.61 2tun s TYR 56 CO 0.01 -0.02 0.61 -1.17 -1.11 0.00 0.00 175.55 173.88 2tun s LEU 57 N 0.10 4.28 -0.21 -1.29 2.96 0.12 -0.76 118.68 123.89 2tun s LEU 57 Ca -0.01 0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 2tun s LEU 57 Cb -0.02 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 2tun s LEU 57 CO -0.00 -0.58 0.08 -0.63 -1.32 0.00 0.00 176.35 173.90 2tun s ILE 58 N 2.65 4.71 -0.08 6.68 -1.09 -0.61 -1.84 121.20 131.63 2tun s ILE 58 Ca 0.23 -0.05 -0.18 0.00 -2.23 0.00 0.00 60.65 58.42 2tun s ILE 58 Cb -0.15 -3.16 0.04 0.00 -1.58 0.00 0.00 42.46 37.62 2tun s ILE 58 CO 0.15 0.41 0.44 -0.72 -1.23 0.00 0.00 174.94 173.98 2tun s TYR 59 N 0.84 -0.40 -0.29 3.97 -0.85 0.53 -2.25 117.35 118.90 2tun s TYR 59 Ca 0.04 0.80 -0.24 0.00 -0.52 0.00 0.00 57.07 57.15 2tun s TYR 59 Cb -0.14 0.19 0.16 0.00 0.38 0.00 0.00 41.96 42.55 2tun s TYR 59 CO 0.02 -0.38 1.23 0.45 -1.52 0.00 0.00 175.55 175.36 2tun s SER 60 N -0.70 -0.25 -0.01 -0.18 0.15 -0.63 -0.17 113.70 111.92 2tun s SER 60 Ca -0.08 0.47 0.04 0.00 0.70 0.00 0.00 55.95 57.09 2tun s SER 60 Cb -0.03 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2tun s SER 60 CO 0.04 -0.08 -0.14 -1.58 1.20 0.00 0.00 173.24 172.67 2tun s GLN 61 N 0.23 1.16 -0.45 5.44 0.74 -1.23 -0.51 119.66 125.03 2tun s GLN 61 Ca 0.04 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 54.94 2tun s GLN 61 Cb -0.05 -1.12 0.14 0.00 1.10 0.00 0.00 33.01 33.08 2tun s GLN 61 CO -0.11 0.31 0.26 0.14 -0.55 0.00 0.00 175.29 175.34 2tun s VAL 62 N -0.37 1.33 0.04 1.34 -7.23 0.09 -2.73 120.40 112.87 2tun s VAL 62 Ca 0.05 -2.62 -0.31 0.00 -1.81 0.00 0.00 61.98 57.30 2tun s VAL 62 Cb -0.06 -1.92 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 2tun s VAL 62 CO -0.00 -0.94 1.36 -0.22 -0.31 0.00 0.00 175.10 174.99 2tun s LEU 63 N 0.26 4.34 0.30 1.32 1.98 -0.52 -3.55 118.68 122.81 2tun s LEU 63 Ca 0.19 2.15 0.07 0.00 -2.89 0.00 0.00 54.13 53.65 2tun s LEU 63 Cb -0.20 -3.57 -0.03 0.00 0.66 0.00 0.00 46.19 43.05 2tun s LEU 63 CO -0.03 -0.66 0.29 -0.36 -1.89 0.00 0.00 176.35 173.70 2tun s PHE 64 N 1.80 3.03 -0.28 5.38 0.08 -0.40 -2.53 117.98 125.07 2tun s PHE 64 Ca 0.63 -0.21 -0.24 0.00 0.12 0.00 0.00 56.93 57.23 2tun s PHE 64 Cb -0.32 -1.67 0.11 0.00 -0.57 0.00 0.00 43.02 40.56 2tun s PHE 64 CO 0.28 0.29 0.95 0.21 -0.10 0.00 0.00 175.22 176.85 2tun s LYS 65 N -3.96 0.57 -0.23 0.44 2.20 0.17 -1.48 119.74 117.45 2tun s LYS 65 Ca 0.38 0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 56.67 2tun s LYS 65 Cb -0.07 0.26 0.12 0.00 -1.51 0.00 0.00 37.83 36.63 2tun s LYS 65 CO 0.27 -0.07 0.32 0.20 -0.36 0.00 0.00 175.35 175.70 2tun s GLY 66 N 0.38 -0.25 -0.75 5.54 0.00 -1.23 -4.36 107.32 106.66 2tun s GLY 66 Ca 0.01 0.62 -0.26 0.00 0.00 0.00 0.00 44.72 45.10 2tun s GLY 66 CO -0.06 2.48 2.21 1.62 0.00 0.00 0.00 173.10 179.35 2tun s GLN 67 N 2.46 2.08 0.00 2.90 0.74 -1.26 -3.20 119.66 123.38 2tun s GLN 67 Ca 0.10 0.45 0.00 0.00 0.05 0.00 0.00 55.36 55.97 2tun s GLN 67 Cb -0.15 -4.78 0.00 0.00 1.10 0.00 0.00 33.01 29.18 2tun s GLN 67 CO -0.15 -3.73 0.00 0.41 -0.55 0.00 0.00 175.29 171.27 2tun n GLY 68 N 6.54 2.55 3.37 2.59 0.00 -0.53 -4.70 105.19 115.01 2tun n GLY 68 Ca 0.40 -1.72 -0.46 0.00 0.00 0.00 0.00 46.02 44.24 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 4.94 -0.45 -2.02 0.00 -0.04 -1.26 -1.34 135.00 134.82 2tun n PRO 70 Ca 0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 2tun n PRO 70 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.23 6.40 0.35 3.54 0.15 -1.26 -4.67 113.70 116.98 2tun s SER 71 Ca 0.00 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.53 2tun s SER 71 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2tun s SER 71 CO 0.00 -1.20 0.00 0.41 1.20 0.00 0.00 173.24 173.65 2tun n THR 72 N 6.18 0.00 -1.63 6.45 -1.04 -1.26 -4.68 114.28 118.30 2tun n THR 72 Ca 0.19 0.31 -0.35 0.00 -2.04 0.00 0.00 64.05 62.16 2tun n THR 72 Cb 0.44 -0.68 -0.03 0.00 -1.82 0.00 0.00 70.33 68.24 2tun n THR 72 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2tun s HIS 73 N -2.79 1.16 0.12 -1.42 0.09 -1.26 -4.82 115.29 106.38 2tun s HIS 73 Ca 0.00 1.48 -0.19 0.00 -0.00 0.00 0.00 55.06 56.36 2tun s HIS 73 Cb 0.00 -3.65 -0.05 0.00 -0.00 0.00 0.00 32.58 28.89 2tun s HIS 73 CO 0.00 -2.44 1.75 -0.39 -0.00 0.00 0.00 174.74 173.66 2tun h VAL 74 N 7.58 1.10 -2.14 -0.90 -1.51 -1.87 -3.49 116.25 115.02 2tun h VAL 74 Ca -0.23 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2tun h VAL 74 Cb 1.24 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2tun h VAL 74 CO 1.16 0.10 -0.54 0.18 -1.23 0.00 0.00 177.57 177.24 2tun n LEU 75 N -4.87 -1.26 -3.85 4.19 4.77 -1.26 -5.08 117.00 109.64 2tun n LEU 75 Ca -0.02 1.69 -0.12 0.00 -0.03 0.00 0.00 56.01 57.52 2tun n LEU 75 Cb 0.05 -1.34 -0.13 0.00 -2.33 0.00 0.00 43.42 39.67 2tun n LEU 75 CO 0.34 -0.17 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.20 2tun s LEU 76 N -3.75 1.72 -0.06 2.23 1.43 0.17 -4.90 118.68 115.53 2tun s LEU 76 Ca 0.00 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2tun s LEU 76 Cb 0.00 0.28 0.02 0.00 0.03 0.00 0.00 46.19 46.52 2tun s LEU 76 CO 0.00 -0.06 0.21 0.28 0.23 0.00 0.00 176.35 177.01 2tun s THR 77 N -0.13 0.02 -0.32 5.49 -1.32 -1.26 -0.66 115.64 117.46 2tun s THR 77 Ca -0.02 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 2tun s THR 77 Cb -0.02 -0.36 0.10 0.00 -1.51 0.00 0.00 72.50 70.71 2tun s THR 77 CO 0.00 -0.09 0.06 -2.28 -2.21 0.00 0.00 174.62 170.09 2tun s HIS 78 N -0.29 2.93 -0.32 9.09 5.04 -0.49 -3.50 115.29 127.75 2tun s HIS 78 Ca -0.04 -2.45 0.04 0.00 -1.54 0.00 0.00 55.06 51.06 2tun s HIS 78 Cb -0.03 -2.38 0.09 0.00 0.04 0.00 0.00 32.58 30.30 2tun s HIS 78 CO 0.01 -0.91 0.01 0.95 -2.34 0.00 0.00 174.74 172.46 2tun s THR 79 N 1.19 2.23 -0.37 0.89 -4.23 -0.99 -2.02 115.64 112.34 2tun s THR 79 Ca 0.09 -2.16 -0.26 0.00 -1.18 0.00 0.00 61.69 58.18 2tun s THR 79 Cb -0.18 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.10 2tun s THR 79 CO -0.14 -0.47 0.93 -0.63 -0.54 0.00 0.00 174.62 173.78 2tun s ILE 80 N 0.96 4.57 0.25 2.99 1.01 0.57 -2.80 121.20 128.76 2tun s ILE 80 Ca 0.06 1.18 0.11 0.00 0.00 0.00 0.00 60.65 62.00 2tun s ILE 80 Cb -0.19 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 2tun s ILE 80 CO -0.08 -0.56 -0.14 -0.44 0.00 0.00 0.00 174.94 173.72 2tun s SER 81 N 1.91 3.92 -0.19 3.58 0.01 -0.43 -1.64 113.70 120.85 2tun s SER 81 Ca 0.38 -0.84 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 2tun s SER 81 Cb -0.12 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2tun s SER 81 CO 0.19 0.05 -0.12 -0.60 0.41 0.00 0.00 173.24 173.17 2tun s ARG 82 N -3.35 3.21 -0.22 12.44 3.52 -0.93 -1.73 118.95 131.89 2tun s ARG 82 Ca 0.28 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 55.14 2tun s ARG 82 Cb -0.06 -2.77 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 2tun s ARG 82 CO 0.16 -0.15 -0.07 0.96 -0.81 0.00 0.00 175.30 175.39 2tun s ILE 83 N 1.26 3.07 0.02 4.11 -4.36 -0.29 -2.67 121.20 122.34 2tun s ILE 83 Ca 0.03 -0.68 -0.03 0.00 -0.26 0.00 0.00 60.65 59.71 2tun s ILE 83 Cb -0.14 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 2tun s ILE 83 CO -0.06 0.38 0.21 0.68 0.24 0.00 0.00 174.94 176.39 2tun s VAL 84 N 1.42 5.40 -1.01 8.37 -7.23 -1.26 -0.99 120.40 125.10 2tun s VAL 84 Ca 0.04 -0.17 0.06 0.00 -1.81 0.00 0.00 61.98 60.10 2tun s VAL 84 Cb -0.15 -3.57 0.05 0.00 0.56 0.00 0.00 36.38 33.28 2tun s VAL 84 CO -0.05 0.27 1.19 1.33 -0.31 0.00 0.00 175.10 177.53 2tun n VAL 85 N 0.77 1.57 -0.01 1.32 0.24 -1.26 -0.04 118.33 120.93 2tun n VAL 85 Ca -0.09 0.39 -0.03 0.00 -2.04 0.00 0.00 64.34 62.57 2tun n VAL 85 Cb 0.52 -1.29 -0.01 0.00 -1.47 0.00 0.00 33.84 31.59 2tun n VAL 85 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2tun n SER 86 N -1.50 1.37 0.19 -1.34 3.41 -1.26 -4.74 113.62 109.76 2tun n SER 86 Ca 0.01 0.20 0.08 0.00 -0.26 0.00 0.00 58.87 58.91 2tun n SER 86 Cb 0.07 -0.48 0.27 0.00 -0.26 0.00 0.00 64.21 63.81 2tun n SER 86 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2tun h TYR 87 N -0.38 0.00 -0.25 7.33 3.20 -2.00 -3.46 116.97 121.41 2tun h TYR 87 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2tun h TYR 87 Cb 0.38 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2tun h TYR 87 CO -0.16 0.29 -0.03 1.04 -1.64 0.00 0.00 178.16 177.66 2tun n GLN 88 N -3.29 -1.87 -3.95 1.82 1.13 0.95 -4.91 117.38 107.25 2tun n GLN 88 Ca 0.01 0.28 -0.21 0.00 -1.94 0.00 0.00 57.00 55.14 2tun n GLN 88 Cb 0.55 -3.81 -0.04 0.00 0.11 0.00 0.00 30.24 27.05 2tun n GLN 88 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2tun s THR 89 N -0.67 4.04 -0.05 5.09 -4.23 -1.26 -4.81 115.64 113.75 2tun s THR 89 Ca 0.00 -1.36 -0.25 0.00 -1.18 0.00 0.00 61.69 58.90 2tun s THR 89 Cb 0.00 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 2tun s THR 89 CO 0.00 -0.26 0.78 -0.54 -0.54 0.00 0.00 174.62 174.05 2tun s LYS 90 N -3.93 4.46 -0.20 3.99 1.02 -1.26 -4.11 119.74 119.71 2tun s LYS 90 Ca 0.37 1.02 0.02 0.00 0.02 0.00 0.00 55.97 57.40 2tun s LYS 90 Cb -0.07 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2tun s LYS 90 CO 0.26 0.02 -0.17 0.14 -0.92 0.00 0.00 175.35 174.68 2tun s VAL 91 N 0.91 2.10 -0.16 3.17 -7.23 -1.09 -5.01 120.40 113.10 2tun s VAL 91 Ca 0.41 -1.14 -0.28 0.00 -1.81 0.00 0.00 61.98 59.16 2tun s VAL 91 Cb -0.19 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 2tun s VAL 91 CO 0.20 0.37 0.95 0.21 -0.31 0.00 0.00 175.10 176.52 2tun s ASN 92 N 1.24 7.10 -0.22 4.85 3.84 -1.26 -2.19 114.94 128.30 2tun s ASN 92 Ca 0.01 1.36 -0.16 0.00 0.21 0.00 0.00 52.86 54.28 2tun s ASN 92 Cb -0.15 -2.51 -0.09 0.00 -0.55 0.00 0.00 41.25 37.95 2tun s ASN 92 CO -0.11 -0.48 -0.29 0.18 -2.79 0.00 0.00 177.10 173.62 2tun n LEU 93 N 5.37 1.93 -4.10 3.21 4.77 -0.65 -4.89 117.00 122.64 2tun n LEU 93 Ca 0.08 0.37 -0.35 0.00 -0.03 0.00 0.00 56.01 56.08 2tun n LEU 93 Cb 0.48 -0.80 -0.12 0.00 -2.33 0.00 0.00 43.42 40.65 2tun n LEU 93 CO 0.51 0.07 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.67 2tun s LEU 94 N -7.79 5.12 -0.08 2.23 1.43 -0.73 -5.00 118.68 113.87 2tun s LEU 94 Ca -0.31 -2.04 0.03 0.00 -1.03 0.00 0.00 54.13 50.78 2tun s LEU 94 Cb 0.08 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 2tun s LEU 94 CO 0.44 -0.50 -0.17 -0.55 0.23 0.00 0.00 176.35 175.80 2tun s SER 95 N 1.62 3.79 -0.04 2.29 0.15 -1.26 -0.31 113.70 119.94 2tun s SER 95 Ca 0.08 -0.31 -0.30 0.00 0.70 0.00 0.00 55.95 56.12 2tun s SER 95 Cb -0.22 -1.08 0.08 0.00 -1.71 0.00 0.00 66.02 63.09 2tun s SER 95 CO -0.05 0.27 0.72 0.00 1.20 0.00 0.00 173.24 175.38 2tun s ALA 96 N -0.26 -1.78 -0.03 5.45 0.00 -0.86 -5.02 121.76 119.27 2tun s ALA 96 Ca 0.01 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.30 2tun s ALA 96 Cb -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2tun s ALA 96 CO 0.03 -0.41 -0.21 0.42 0.00 0.00 0.00 175.76 175.59 2tun s ILE 97 N -1.47 1.67 -0.04 0.00 1.01 -1.26 -1.40 121.20 119.71 2tun s ILE 97 Ca -0.08 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.72 2tun s ILE 97 Cb -0.00 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 41.06 2tun s ILE 97 CO 0.06 0.47 -0.14 -0.54 0.00 0.00 0.00 174.94 174.79 2tun s LYS 98 N -0.29 1.55 -0.26 2.79 -0.14 0.17 -5.00 119.74 118.56 2tun s LYS 98 Ca 0.03 -0.50 -0.02 0.00 -1.36 0.00 0.00 55.97 54.12 2tun s LYS 98 Cb -0.10 -1.35 0.08 0.00 -1.68 0.00 0.00 37.83 34.78 2tun s LYS 98 CO 0.01 0.18 0.07 -1.54 -0.76 0.00 0.00 175.35 173.32 2tun s SER 99 N 0.15 3.52 0.00 2.83 1.04 -1.26 -0.65 113.70 119.33 2tun s SER 99 Ca -0.05 -1.26 0.27 0.00 0.48 0.00 0.00 55.95 55.39 2tun s SER 99 Cb -0.11 -0.69 0.96 0.00 0.10 0.00 0.00 66.02 66.27 2tun s SER 99 CO 0.02 -0.37 1.73 -0.81 0.98 0.00 0.00 173.24 174.78 2tun n PRO 100 N 4.98 0.05 -3.70 4.02 -0.05 -1.26 -4.79 135.00 134.25 2tun n PRO 100 Ca -0.06 -0.02 -0.15 0.00 -0.05 0.00 0.00 63.50 63.23 2tun n PRO 100 Cb 0.44 -1.50 -0.15 0.00 -0.05 0.00 0.00 33.50 32.24 2tun n PRO 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2tun n GLN 102 N 4.83 2.95 0.00 0.00 1.13 -1.26 -4.74 117.38 120.30 2tun n GLN 102 Ca -0.14 -4.70 0.00 0.00 -1.94 0.00 0.00 57.00 50.21 2tun n GLN 102 Cb 0.51 -2.18 0.00 0.00 0.11 0.00 0.00 30.24 28.67 2tun n GLN 102 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2tun n ARG 103 N -0.08 0.00 0.00 -1.09 1.74 -1.26 -5.13 116.66 110.84 2tun n ARG 103 Ca 0.30 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2tun n ARG 103 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 2tun n ARG 103 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2tun n GLU 104 N 0.89 0.00 -2.76 5.56 0.00 -1.26 -5.04 120.64 118.03 2tun n GLU 104 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.93 2tun n GLU 104 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.46 2tun n GLU 104 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2tun n THR 105 N 0.00 -2.32 -1.03 6.31 -1.04 -0.45 -4.69 114.28 111.05 2tun n THR 105 Ca 0.00 0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.75 2tun n THR 105 Cb 0.00 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.36 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 -0.51 2.86 -0.04 -2.82 -0.04 -1.26 -4.84 135.00 128.35 2tun n PRO 106 Ca -0.09 -1.77 -0.01 0.00 -0.04 0.00 0.00 63.50 61.59 2tun n PRO 106 Cb 0.44 -2.58 -0.01 0.00 -0.04 0.00 0.00 33.50 31.31 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 3.75 -0.04 -2.10 0.54 -0.58 -1.26 -1.98 120.64 118.97 2tun n GLU 107 Ca 0.61 0.63 -0.38 0.00 -0.42 0.00 0.00 57.16 57.60 2tun n GLU 107 Cb 0.23 -0.94 0.01 0.00 -0.57 0.00 0.00 31.44 30.17 2tun n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2tun n GLY 108 N -1.02 5.49 0.41 0.62 0.00 -1.26 -4.28 105.19 105.14 2tun n GLY 108 Ca 0.00 -2.35 -0.01 0.00 0.00 0.00 0.00 46.02 43.66 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 0.18 0.88 -0.92 4.61 0.00 -0.84 -5.09 120.51 119.34 2tun n ALA 109 Ca 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2tun n ALA 109 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -3.21 0.00 0.00 -1.21 -4.43 120.64 111.79 2tun n GLU 110 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.16 2tun n GLU 110 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.72 2tun n GLU 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2tun s ALA 111 N -1.00 -3.17 -0.35 4.31 0.00 -1.26 -4.80 121.76 115.50 2tun s ALA 111 Ca 0.00 1.64 -0.27 0.00 0.00 0.00 0.00 51.96 53.34 2tun s ALA 111 Cb 0.00 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.78 2tun s ALA 111 CO 0.00 -1.29 0.97 0.21 0.00 0.00 0.00 175.76 175.65 2tun s LYS 112 N 2.75 3.93 -1.21 0.00 2.47 -1.26 -4.01 119.74 122.41 2tun s LYS 112 Ca 0.00 0.75 -0.21 0.00 -1.56 0.00 0.00 55.97 54.96 2tun s LYS 112 Cb -0.09 -3.77 0.00 0.00 -1.46 0.00 0.00 37.83 32.51 2tun s LYS 112 CO -0.14 -0.91 1.80 -2.14 0.16 0.00 0.00 175.35 174.12 2tun s PRO 113 N 3.50 3.31 0.90 4.03 0.02 -1.26 -1.46 135.00 144.04 2tun s PRO 113 Ca 0.40 -1.52 -0.13 0.00 0.02 0.00 0.00 61.00 59.76 2tun s PRO 113 Cb -0.12 -5.39 0.02 0.00 0.02 0.00 0.00 34.50 29.03 2tun s PRO 113 CO 0.17 -2.98 0.48 -2.67 -0.33 0.00 0.00 177.00 171.67 2tun n TRP 114 N 11.02 -1.17 -3.89 6.54 4.27 -1.19 -4.79 117.44 128.23 2tun n TRP 114 Ca 0.46 0.27 -0.18 0.00 -3.89 0.00 0.00 57.50 54.15 2tun n TRP 114 Cb 0.47 -1.83 -0.16 0.00 -1.36 0.00 0.00 31.31 28.42 2tun n TRP 114 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 2tun s TYR 115 N -2.28 0.33 -0.23 -2.67 2.02 -1.26 -3.53 117.35 109.72 2tun s TYR 115 Ca 0.59 0.01 -0.03 0.00 -0.37 0.00 0.00 57.07 57.27 2tun s TYR 115 Cb -0.24 -0.46 0.11 0.00 -0.40 0.00 0.00 41.96 40.97 2tun s TYR 115 CO 0.65 -0.16 0.26 -2.00 -1.57 0.00 0.00 175.55 172.73 2tun s GLU 116 N 1.23 0.24 -0.06 -0.62 2.56 -0.55 -4.98 118.70 116.53 2tun s GLU 116 Ca -0.07 0.17 -0.24 0.00 0.00 0.00 0.00 54.97 54.84 2tun s GLU 116 Cb -0.13 -0.97 -0.04 0.00 2.00 0.00 0.00 34.13 34.99 2tun s GLU 116 CO -0.02 -0.74 0.71 -1.25 -0.56 0.00 0.00 175.26 173.40 2tun s PRO 117 N 2.37 4.44 -0.26 4.30 0.04 -1.26 -1.27 135.00 143.35 2tun s PRO 117 Ca 0.08 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.05 2tun s PRO 117 Cb -0.15 -3.44 0.05 0.00 0.04 0.00 0.00 34.50 30.99 2tun s PRO 117 CO -0.17 0.07 -0.09 0.42 0.04 0.00 0.00 177.00 177.26 2tun s ILE 118 N 0.77 2.37 -0.19 0.56 1.01 -1.23 -4.95 121.20 119.53 2tun s ILE 118 Ca 0.38 -1.47 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 2tun s ILE 118 Cb -0.18 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.96 2tun s ILE 118 CO 0.19 0.03 -0.14 -0.47 0.00 0.00 0.00 174.94 174.54 2tun s TYR 119 N 1.17 2.84 -0.15 3.97 5.04 -1.26 -0.73 117.35 128.23 2tun s TYR 119 Ca -0.06 -1.39 -0.02 0.00 -2.44 0.00 0.00 57.07 53.16 2tun s TYR 119 Cb -0.19 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 2tun s TYR 119 CO -0.05 -0.72 -0.08 -0.51 -1.34 0.00 0.00 175.55 172.85 2tun s LEU 120 N 1.36 2.95 -0.28 6.97 2.01 0.33 -4.97 118.68 127.05 2tun s LEU 120 Ca 0.05 -0.25 -0.15 0.00 0.01 0.00 0.00 54.13 53.79 2tun s LEU 120 Cb -0.13 -1.69 0.08 0.00 0.01 0.00 0.00 46.19 44.46 2tun s LEU 120 CO -0.09 0.15 0.67 -0.83 1.01 0.00 0.00 176.35 177.26 2tun s GLY 121 N 0.47 -0.63 0.07 -3.19 0.00 -1.26 -1.60 107.32 101.17 2tun s GLY 121 Ca -0.06 2.38 -0.27 0.00 0.00 0.00 0.00 44.72 46.77 2tun s GLY 121 CO 0.04 2.44 0.89 -0.32 0.00 0.00 0.00 173.10 176.15 2tun s GLY 122 N 1.76 -0.39 -0.06 0.20 0.00 -0.96 -5.05 107.32 102.83 2tun s GLY 122 Ca -0.10 0.66 -0.04 0.00 0.00 0.00 0.00 44.72 45.24 2tun s GLY 122 CO -0.20 0.20 0.14 0.54 0.00 0.00 0.00 173.10 173.78 2tun s VAL 123 N -3.24 5.26 0.23 1.40 0.11 -1.26 -1.57 120.40 121.32 2tun s VAL 123 Ca 0.07 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2tun s VAL 123 Cb -0.01 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.43 2tun s VAL 123 CO -0.05 0.46 0.12 -0.36 -3.33 0.00 0.00 175.10 171.94 2tun s PHE 124 N -1.16 1.32 -0.43 1.54 0.08 0.06 -4.98 117.98 114.42 2tun s PHE 124 Ca 0.21 -1.31 -0.09 0.00 0.12 0.00 0.00 56.93 55.87 2tun s PHE 124 Cb -0.12 -0.70 0.09 0.00 -0.57 0.00 0.00 43.02 41.72 2tun s PHE 124 CO 0.11 -0.52 0.28 -1.14 -0.10 0.00 0.00 175.22 173.85 2tun s GLN 125 N -4.10 2.52 0.07 0.44 0.74 -1.26 -0.26 119.66 117.81 2tun s GLN 125 Ca 0.39 -1.58 0.09 0.00 0.05 0.00 0.00 55.36 54.31 2tun s GLN 125 Cb 0.07 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.35 2tun s GLN 125 CO 0.13 -1.03 -0.25 -0.51 -0.55 0.00 0.00 175.29 173.07 2tun s LEU 126 N 1.38 2.22 0.60 3.68 1.02 -1.05 -4.99 118.68 121.54 2tun s LEU 126 Ca 0.04 -0.63 -0.06 0.00 0.02 0.00 0.00 54.13 53.50 2tun s LEU 126 Cb -0.24 -1.20 0.01 0.00 0.02 0.00 0.00 46.19 44.79 2tun s LEU 126 CO 0.01 0.21 0.92 -1.61 0.02 0.00 0.00 176.35 175.90 2tun s GLU 127 N -1.50 2.86 0.62 1.70 8.01 -1.26 -1.81 118.70 127.31 2tun s GLU 127 Ca 0.11 0.00 -0.19 0.00 0.01 0.00 0.00 54.97 54.91 2tun s GLU 127 Cb -0.10 -2.25 -0.02 0.00 -4.31 0.00 0.00 34.13 27.45 2tun s GLU 127 CO 0.03 -0.76 1.26 0.21 0.01 0.00 0.00 175.26 176.02 2tun s LYS 128 N -5.03 2.77 0.00 1.61 2.20 -1.24 -3.04 119.74 117.02 2tun s LYS 128 Ca 0.55 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 2tun s LYS 128 Cb -0.11 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 2tun s LYS 128 CO 0.45 -1.40 0.00 0.41 -0.36 0.00 0.00 175.35 174.45 2tun n GLY 129 N 0.73 0.22 3.74 5.54 0.00 -1.20 -4.71 105.19 109.51 2tun n GLY 129 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.20 4.61 0.05 1.61 1.11 -1.17 -4.65 116.67 116.04 2tun s ASP 130 Ca 0.00 2.26 0.07 0.00 0.18 0.00 0.00 52.55 55.06 2tun s ASP 130 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 2tun s ASP 130 CO 0.00 -1.98 -0.17 -0.13 1.18 0.00 0.00 175.17 174.07 2tun s ARG 131 N -3.87 2.05 0.01 8.23 3.00 -0.16 -1.80 118.95 126.41 2tun s ARG 131 Ca 0.73 -1.00 0.07 0.00 0.00 0.00 0.00 55.73 55.52 2tun s ARG 131 Cb -0.27 -2.20 -0.03 0.00 0.00 0.00 0.00 34.95 32.46 2tun s ARG 131 CO 0.42 0.53 -0.20 -0.51 0.00 0.00 0.00 175.30 175.55 2tun s LEU 132 N -1.58 2.47 -0.07 2.53 2.01 0.58 -1.14 118.68 123.48 2tun s LEU 132 Ca 0.15 -0.40 -0.03 0.00 0.01 0.00 0.00 54.13 53.86 2tun s LEU 132 Cb -0.11 -1.46 0.04 0.00 0.01 0.00 0.00 46.19 44.67 2tun s LEU 132 CO 0.06 0.29 0.15 -0.55 1.01 0.00 0.00 176.35 177.31 2tun s SER 133 N -1.09 -0.03 -1.13 2.29 0.15 -0.71 0.35 113.70 113.54 2tun s SER 133 Ca 0.13 0.30 -0.04 0.00 0.70 0.00 0.00 55.95 57.04 2tun s SER 133 Cb -0.10 0.20 0.27 0.00 -1.71 0.00 0.00 66.02 64.67 2tun s SER 133 CO 0.03 -0.16 1.75 0.00 1.20 0.00 0.00 173.24 176.06 2tun n ALA 134 N 4.32 5.65 -1.78 5.45 0.00 -1.26 -1.31 120.51 131.58 2tun n ALA 134 Ca -0.24 -4.59 -0.41 0.00 0.00 0.00 0.00 53.44 48.20 2tun n ALA 134 Cb 0.51 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2tun n ALA 134 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2tun s GLU 135 N -2.52 4.05 -0.08 0.00 2.56 -1.12 -4.93 118.70 116.66 2tun s GLU 135 Ca 0.37 2.57 -0.04 0.00 0.00 0.00 0.00 54.97 57.88 2tun s GLU 135 Cb 0.11 -2.93 0.04 0.00 2.00 0.00 0.00 34.13 33.35 2tun s GLU 135 CO 0.00 -0.58 0.18 -1.50 -0.56 0.00 0.00 175.26 172.80 2tun s ILE 136 N -1.13 -0.07 0.06 -3.70 2.07 -1.26 -2.35 121.20 114.83 2tun s ILE 136 Ca 0.54 0.18 -0.18 0.00 -1.41 0.00 0.00 60.65 59.78 2tun s ILE 136 Cb -0.47 -0.29 -0.12 0.00 0.13 0.00 0.00 42.46 41.71 2tun s ILE 136 CO 0.63 0.08 1.38 -0.55 -1.91 0.00 0.00 174.94 174.56 2tun h ASN 137 N 7.33 0.52 -2.96 4.50 -1.07 -1.97 -3.38 115.58 118.54 2tun h ASN 137 Ca -0.40 -0.47 -0.65 0.00 0.07 0.00 0.00 56.30 54.85 2tun h ASN 137 Cb 1.14 -0.15 -0.40 0.00 -2.07 0.00 0.00 38.32 36.85 2tun h ASN 137 CO 0.39 0.89 -0.40 0.54 0.07 0.00 0.00 177.43 178.92 2tun n ARG 138 N -4.45 2.29 0.00 4.14 1.74 -1.26 -4.89 116.66 114.23 2tun n ARG 138 Ca -0.05 -4.53 0.00 0.00 -0.77 0.00 0.00 57.85 52.50 2tun n ARG 138 Cb 0.40 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 2tun n ARG 138 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2tun n PRO 139 N 1.80 0.74 -0.07 5.56 -0.05 -1.26 -2.71 135.00 139.01 2tun n PRO 139 Ca 0.23 0.00 -0.14 0.00 -0.05 0.00 0.00 63.50 63.54 2tun n PRO 139 Cb 0.37 -1.18 -0.14 0.00 -0.05 0.00 0.00 33.50 32.50 2tun n PRO 139 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 2tun n ASP 140 N 0.53 1.10 -1.09 3.54 8.00 -1.26 -4.30 116.55 123.06 2tun n ASP 140 Ca 0.00 0.10 0.12 0.00 0.71 0.00 0.00 54.79 55.72 2tun n ASP 140 Cb 0.33 0.05 0.17 0.00 -0.02 0.00 0.00 41.12 41.66 2tun n ASP 140 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2tun n TYR 141 N -3.08 0.30 -2.12 1.24 4.01 -1.10 -5.01 117.16 111.40 2tun n TYR 141 Ca -0.32 -0.15 -0.34 0.00 -0.16 0.00 0.00 57.90 56.92 2tun n TYR 141 Cb 1.07 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.11 2tun n TYR 141 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 2tun s LEU 142 N -1.70 3.63 -0.20 7.72 0.05 -1.26 0.43 118.68 127.35 2tun s LEU 142 Ca 0.35 2.05 -0.05 0.00 0.05 0.00 0.00 54.13 56.52 2tun s LEU 142 Cb 0.22 -4.56 -0.03 0.00 -2.05 0.00 0.00 46.19 39.77 2tun s LEU 142 CO 0.31 -1.27 0.00 -0.22 -0.55 0.00 0.00 176.35 174.62 2tun s LEU 143 N -4.16 3.28 0.00 1.48 0.20 -1.05 -4.84 118.68 113.60 2tun s LEU 143 Ca 0.69 -0.18 0.19 0.00 0.69 0.00 0.00 54.13 55.52 2tun s LEU 143 Cb -0.21 -1.83 -0.10 0.00 -0.43 0.00 0.00 46.19 43.62 2tun s LEU 143 CO 0.31 0.08 0.88 0.49 -0.29 0.00 0.00 176.35 177.82 2tun n PHE 144 N 4.16 0.00 -1.54 5.38 3.72 -1.26 -4.54 117.46 123.38 2tun n PHE 144 Ca -0.17 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.84 2tun n PHE 144 Cb 0.52 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 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 -0.74 7.29 -3.00 4.37 0.00 -1.26 -4.76 120.51 122.41 2tun n ALA 145 Ca 0.06 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.81 2tun n ALA 145 Cb 0.35 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.66 2tun n ALA 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2tun n GLU 146 N 2.88 3.66 0.18 0.00 0.28 -1.26 -5.05 120.64 121.33 2tun n GLU 146 Ca 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.72 2tun n GLU 146 Cb 0.25 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.12 2tun n GLU 146 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2tun n SER 147 N 0.00 -2.72 -3.26 -1.84 2.88 -1.26 -4.97 113.62 102.45 2tun n SER 147 Ca 0.00 0.68 -0.25 0.00 -1.33 0.00 0.00 58.87 57.97 2tun n SER 147 Cb 0.00 2.64 -0.07 0.00 -0.75 0.00 0.00 64.21 66.03 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 -0.75 3.49 0.06 0.46 0.00 -1.26 -4.79 105.19 102.41 2tun n GLY 148 Ca 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 2tun n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2tun n GLN 149 N 1.19 1.66 -3.56 1.61 6.02 -1.26 -4.89 117.38 118.15 2tun n GLN 149 Ca 0.24 0.02 -0.25 0.00 -0.01 0.00 0.00 57.00 57.00 2tun n GLN 149 Cb 0.50 -1.29 -0.15 0.00 1.02 0.00 0.00 30.24 30.31 2tun n GLN 149 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2tun s VAL 150 N -2.28 -0.14 0.24 5.09 0.11 -1.26 -1.44 120.40 120.72 2tun s VAL 150 Ca -0.09 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 2tun s VAL 150 Cb 0.04 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 2tun s VAL 150 CO 0.43 -0.40 0.07 -0.72 -3.33 0.00 0.00 175.10 171.15 2tun s TYR 151 N 2.17 1.49 -0.18 1.54 1.13 -1.11 -2.01 117.35 120.38 2tun s TYR 151 Ca 0.05 -1.12 -0.15 0.00 -1.41 0.00 0.00 57.07 54.44 2tun s TYR 151 Cb -0.16 -0.88 0.05 0.00 -1.10 0.00 0.00 41.96 39.88 2tun s TYR 151 CO -0.18 -0.27 0.48 0.12 -2.51 0.00 0.00 175.55 173.18 2tun s PHE 152 N -3.69 -0.56 -0.03 -3.49 5.36 0.65 -3.50 117.98 112.72 2tun s PHE 152 Ca 0.34 1.32 -0.25 0.00 -0.96 0.00 0.00 56.93 57.38 2tun s PHE 152 Cb 0.07 0.21 0.05 0.00 -0.34 0.00 0.00 43.02 43.02 2tun s PHE 152 CO 0.11 -0.28 0.55 0.20 -1.46 0.00 0.00 175.22 174.35 2tun s GLY 153 N 0.49 -0.44 0.04 13.12 0.00 0.76 0.09 107.32 121.39 2tun s GLY 153 Ca -0.02 0.95 0.01 0.00 0.00 0.00 0.00 44.72 45.66 2tun s GLY 153 CO -0.02 0.64 -0.05 -0.26 0.00 0.00 0.00 173.10 173.41 2tun s ILE 154 N -1.35 0.34 -0.30 0.90 -5.25 0.38 -0.35 121.20 115.58 2tun s ILE 154 Ca -0.11 -1.22 -0.12 0.00 -0.99 0.00 0.00 60.65 58.21 2tun s ILE 154 Cb -0.02 -0.73 0.16 0.00 2.95 0.00 0.00 42.46 44.83 2tun s ILE 154 CO 0.07 -0.57 0.87 -0.51 -1.79 0.00 0.00 174.94 173.01 2tun s ILE 155 N -2.04 -0.66 0.05 8.37 2.07 -0.77 -0.81 121.20 127.41 2tun s ILE 155 Ca -0.07 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.86 2tun s ILE 155 Cb -0.06 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.49 2tun s ILE 155 CO -0.02 0.00 1.08 0.00 -1.91 0.00 0.00 174.94 174.08 2tun s ALA 156 N 2.65 3.28 0.00 1.50 0.00 -1.00 0.16 121.76 128.36 2tun s ALA 156 Ca -0.01 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2tun s ALA 156 Cb -0.09 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2tun s ALA 156 CO -0.18 -0.29 0.00 1.28 0.00 0.00 0.00 175.76 176.57