#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e n GLY 8 N 0.00 0.88 2.59 -0.72 0.00 -1.26 -3.94 105.19 102.74 3i9e n GLY 8 Ca 0.00 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 3i9e n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9e n SER 9 N 4.08 5.84 -1.37 1.61 7.64 -1.26 -4.89 113.62 125.29 3i9e n SER 9 Ca 0.00 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.09 3i9e n SER 9 Cb 0.00 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.60 3i9e n SER 9 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3i9e n THR 10 N 4.26 -2.59 -0.41 0.44 -1.04 -1.25 -4.99 114.28 108.69 3i9e n THR 10 Ca 0.61 1.19 0.00 0.00 -2.04 0.00 0.00 64.05 63.81 3i9e n THR 10 Cb 0.33 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 3i9e n THR 10 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3i9e n ARG 11 N -0.83 0.23 0.00 -2.82 -4.01 -1.26 -4.57 116.66 103.40 3i9e n ARG 11 Ca 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 3i9e n ARG 11 Cb 0.00 -0.25 0.00 0.00 -3.04 0.00 0.00 32.46 29.17 3i9e n ARG 11 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3i9e n ASN 12 N -0.04 0.00 -3.52 2.89 3.02 -1.26 -4.95 115.26 111.41 3i9e n ASN 12 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 3i9e n ASN 12 Cb 0.10 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3i9e n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i9e n GLY 13 N 4.05 -0.51 3.34 7.41 0.00 -1.26 -4.97 105.19 113.25 3i9e n GLY 13 Ca 0.00 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3i9e n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9e s ARG 14 N -6.21 1.78 0.00 1.61 0.52 -1.26 -5.15 118.95 110.24 3i9e s ARG 14 Ca 0.51 -2.05 0.00 0.00 -0.52 0.00 0.00 55.73 53.67 3i9e s ARG 14 Cb -0.25 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.31 3i9e s ARG 14 CO 0.63 -0.60 0.00 -3.47 0.02 0.00 0.00 175.30 171.88 3i9e n ASP 15 N -1.44 0.00 -0.90 0.23 -0.08 -1.26 -5.17 116.55 107.93 3i9e n ASP 15 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 3i9e n ASP 15 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 3i9e n ASP 15 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3i9e n SER 16 N 0.00 0.00 -3.80 1.67 3.41 -1.26 -5.12 113.62 108.52 3i9e n SER 16 Ca 0.00 -0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.26 3i9e n SER 16 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3i9e n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i9e s GLN 17 N 1.38 0.35 0.00 4.33 -2.07 -1.26 -5.09 119.66 117.30 3i9e s GLN 17 Ca 0.00 0.14 0.00 0.00 -1.82 0.00 0.00 55.36 53.68 3i9e s GLN 17 Cb 0.00 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 3i9e s GLN 17 CO 0.00 -0.06 0.00 0.00 -1.32 0.00 0.00 175.29 173.91 3i9e n ALA 18 N 2.52 0.00 1.27 2.60 0.00 -1.26 -4.86 120.51 120.78 3i9e n ALA 18 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.42 3i9e n ALA 18 Cb 0.58 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.37 3i9e n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i9e n LYS 19 N 0.00 1.32 -3.83 0.00 4.76 -1.26 -4.96 118.16 114.19 3i9e n LYS 19 Ca 0.00 -0.87 -0.28 0.00 -2.87 0.00 0.00 58.31 54.29 3i9e n LYS 19 Cb 0.00 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 31.72 3i9e n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i9e n ARG 20 N -0.08 -2.54 -1.22 1.97 1.74 -1.26 -4.98 116.66 110.29 3i9e n ARG 20 Ca 0.14 0.43 -0.15 0.00 -0.77 0.00 0.00 57.85 57.50 3i9e n ARG 20 Cb 0.39 -4.36 0.10 0.00 -1.02 0.00 0.00 32.46 27.58 3i9e n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3i9e n LEU 21 N -4.33 0.00 0.00 0.55 4.77 -1.26 -5.00 117.00 111.73 3i9e n LEU 21 Ca -0.22 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3i9e n LEU 21 Cb 0.65 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3i9e n LEU 21 CO 0.72 -0.94 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 3i9e n GLY 22 N 0.44 0.39 3.72 -0.72 0.00 0.12 -4.96 105.19 104.19 3i9e n GLY 22 Ca 0.09 -2.31 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 3i9e n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9e s VAL 23 N -0.40 4.94 -0.12 1.61 1.01 -1.26 -0.58 120.40 125.60 3i9e s VAL 23 Ca 0.00 1.58 0.16 0.00 0.00 0.00 0.00 61.98 63.72 3i9e s VAL 23 Cb 0.00 -4.10 -0.23 0.00 0.00 0.00 0.00 36.38 32.05 3i9e s VAL 23 CO 0.00 0.27 0.38 0.29 0.00 0.00 0.00 175.10 176.04 3i9e n LYS 24 N 3.52 0.69 -3.75 2.72 4.76 0.16 -4.90 118.16 121.36 3i9e n LYS 24 Ca -0.01 -0.12 -0.27 0.00 -2.87 0.00 0.00 58.31 55.04 3i9e n LYS 24 Cb 0.51 -1.35 -0.17 0.00 -1.84 0.00 0.00 35.03 32.19 3i9e n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3i9e s ARG 25 N -2.99 0.68 0.78 1.97 1.81 -0.79 -4.98 118.95 115.44 3i9e s ARG 25 Ca -0.04 -0.34 -0.12 0.00 -1.72 0.00 0.00 55.73 53.51 3i9e s ARG 25 Cb 0.10 -1.92 0.06 0.00 -0.45 0.00 0.00 34.95 32.74 3i9e s ARG 25 CO 0.64 -0.58 1.15 0.71 -0.68 0.00 0.00 175.30 176.55 3i9e s TYR 26 N 1.87 3.06 0.11 -0.53 4.12 -1.26 -4.93 117.35 119.79 3i9e s TYR 26 Ca 0.00 0.84 -0.31 0.00 0.02 0.00 0.00 57.07 57.62 3i9e s TYR 26 Cb -0.16 -3.37 -0.10 0.00 -1.52 0.00 0.00 41.96 36.82 3i9e s TYR 26 CO -0.07 -1.60 1.74 -2.00 0.02 0.00 0.00 175.55 173.64 3i9e s GLU 27 N -5.51 4.16 0.00 -0.62 2.12 -1.26 -3.29 118.70 114.30 3i9e s GLU 27 Ca 0.61 2.48 0.00 0.00 0.36 0.00 0.00 54.97 58.42 3i9e s GLU 27 Cb -0.11 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.73 3i9e s GLU 27 CO 0.50 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 3i9e n GLY 28 N 4.11 0.47 2.85 -1.50 0.00 0.11 -4.98 105.19 106.25 3i9e n GLY 28 Ca 0.17 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 3i9e n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i9e s GLN 29 N -2.53 0.55 0.23 1.61 -0.21 -1.21 -4.95 119.66 113.15 3i9e s GLN 29 Ca 0.00 -0.00 -0.31 0.00 0.02 0.00 0.00 55.36 55.07 3i9e s GLN 29 Cb 0.00 -0.66 -0.10 0.00 1.00 0.00 0.00 33.01 33.24 3i9e s GLN 29 CO 0.00 -0.12 1.54 0.08 -2.12 0.00 0.00 175.29 174.67 3i9e s VAL 30 N 1.02 2.47 -0.00 1.09 1.01 -1.26 -3.32 120.40 121.41 3i9e s VAL 30 Ca -0.10 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3i9e s VAL 30 Cb -0.14 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 3i9e s VAL 30 CO -0.01 0.05 0.02 0.68 0.00 0.00 0.00 175.10 175.84 3i9e s VAL 31 N 0.46 0.04 0.69 2.92 -7.23 -0.40 -5.01 120.40 111.87 3i9e s VAL 31 Ca 0.65 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 60.42 3i9e s VAL 31 Cb -0.44 -0.15 0.06 0.00 0.56 0.00 0.00 36.38 36.41 3i9e s VAL 31 CO 0.39 -0.19 0.99 -0.13 -0.31 0.00 0.00 175.10 175.85 3i9e s ARG 32 N -0.56 2.19 -0.65 4.82 0.52 -1.26 -2.91 118.95 121.09 3i9e s ARG 32 Ca -0.06 -0.37 -0.26 0.00 -0.52 0.00 0.00 55.73 54.52 3i9e s ARG 32 Cb -0.04 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 3i9e s ARG 32 CO -0.00 -1.20 1.89 0.00 0.02 0.00 0.00 175.30 176.01 3i9e s ALA 33 N -3.19 2.07 0.00 2.13 0.00 -1.26 -3.06 121.76 118.46 3i9e s ALA 33 Ca 0.60 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3i9e s ALA 33 Cb -0.10 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.67 3i9e s ALA 33 CO 0.44 -4.06 0.00 0.41 0.00 0.00 0.00 175.76 172.55 3i9e n GLY 34 N 5.89 1.27 3.70 0.00 0.00 -1.21 -4.97 105.19 109.87 3i9e n GLY 34 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3i9e n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i9e n ASN 35 N 0.00 3.01 -4.76 1.61 5.03 -1.17 -4.53 115.26 114.45 3i9e n ASN 35 Ca 0.00 1.18 -0.40 0.00 0.87 0.00 0.00 54.58 56.23 3i9e n ASN 35 Cb 0.00 -1.49 -0.06 0.00 -1.02 0.00 0.00 39.78 37.21 3i9e n ASN 35 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3i9e s ILE 36 N -0.60 4.34 -0.15 2.41 -0.00 -1.26 -1.04 121.20 124.90 3i9e s ILE 36 Ca 0.61 1.86 0.06 0.00 -0.00 0.00 0.00 60.65 63.18 3i9e s ILE 36 Cb -0.58 -4.22 -0.23 0.00 -0.00 0.00 0.00 42.46 37.44 3i9e s ILE 36 CO 0.56 0.47 0.23 0.18 -0.00 0.00 0.00 174.94 176.38 3i9e n LEU 37 N 1.88 1.63 -3.78 0.37 4.77 0.80 -4.47 117.00 118.21 3i9e n LEU 37 Ca -0.03 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3i9e n LEU 37 Cb 0.48 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 3i9e n LEU 37 CO 0.48 0.67 -0.12 -0.69 -1.33 0.00 0.00 177.39 176.40 3i9e s VAL 38 N -2.54 -0.01 -0.41 4.08 1.01 -0.43 0.40 120.40 122.49 3i9e s VAL 38 Ca -0.18 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 3i9e s VAL 38 Cb 0.07 -0.33 0.10 0.00 0.00 0.00 0.00 36.38 36.22 3i9e s VAL 38 CO 0.76 0.02 0.22 -0.13 0.00 0.00 0.00 175.10 175.97 3i9e s ARG 39 N 0.47 2.27 0.19 2.72 1.81 0.25 -1.28 118.95 125.38 3i9e s ARG 39 Ca -0.03 -1.67 0.06 0.00 -1.72 0.00 0.00 55.73 52.37 3i9e s ARG 39 Cb -0.04 -3.65 -0.05 0.00 -0.45 0.00 0.00 34.95 30.76 3i9e s ARG 39 CO -0.02 -1.02 -0.12 1.14 -0.68 0.00 0.00 175.30 174.60 3i9e s GLN 40 N 1.26 1.26 -0.10 3.54 -2.07 -1.25 0.15 119.66 122.45 3i9e s GLN 40 Ca 0.05 -1.56 -0.03 0.00 -1.82 0.00 0.00 55.36 52.00 3i9e s GLN 40 Cb -0.23 -0.93 -0.01 0.00 -1.09 0.00 0.00 33.01 30.75 3i9e s GLN 40 CO -0.02 0.12 -0.06 0.00 -1.32 0.00 0.00 175.29 174.01 3i9e h ARG 41 N 2.60 0.00 0.00 9.60 2.47 -1.87 -3.44 114.38 123.74 3i9e h ARG 41 Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 3i9e h ARG 41 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3i9e h ARG 41 CO 0.63 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.57 3i9e n GLY 42 N 1.74 1.64 2.74 0.04 0.00 -1.26 -4.81 105.19 105.27 3i9e n GLY 42 Ca -0.03 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 3i9e n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i9e n THR 43 N 0.00 5.24 0.22 2.61 5.66 -1.26 -4.65 114.28 122.10 3i9e n THR 43 Ca 0.00 -5.38 0.06 0.00 -3.05 0.00 0.00 64.05 55.68 3i9e n THR 43 Cb 0.00 -1.45 0.26 0.00 -1.55 0.00 0.00 70.33 67.59 3i9e n THR 43 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i9e n ARG 44 N -0.21 0.05 -3.74 1.09 1.74 -1.26 -4.39 116.66 109.95 3i9e n ARG 44 Ca 0.50 0.44 -0.12 0.00 -0.77 0.00 0.00 57.85 57.90 3i9e n ARG 44 Cb 0.25 -1.63 -0.12 0.00 -1.02 0.00 0.00 32.46 29.93 3i9e n ARG 44 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i9e s PHE 45 N -3.14 -0.35 -0.05 -1.55 0.40 -1.26 -4.76 117.98 107.26 3i9e s PHE 45 Ca 0.02 0.82 -0.02 0.00 -0.60 0.00 0.00 56.93 57.15 3i9e s PHE 45 Cb 0.05 0.08 -0.04 0.00 0.51 0.00 0.00 43.02 43.63 3i9e s PHE 45 CO 0.16 -0.23 0.07 0.15 0.70 0.00 0.00 175.22 176.08 3i9e s LYS 46 N 1.03 3.12 -0.27 0.44 1.02 0.70 -4.99 119.74 120.79 3i9e s LYS 46 Ca -0.07 -0.39 -0.34 0.00 0.02 0.00 0.00 55.97 55.20 3i9e s LYS 46 Cb -0.08 -2.91 -0.10 0.00 -0.52 0.00 0.00 37.83 34.22 3i9e s LYS 46 CO -0.07 0.69 2.13 -0.35 -0.92 0.00 0.00 175.35 176.83 3i9e n PRO 47 N 1.64 1.47 0.00 -1.68 -0.04 -1.26 -2.85 135.00 132.28 3i9e n PRO 47 Ca -0.16 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 3i9e n PRO 47 Cb 0.53 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 3i9e n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9e n GLY 48 N 5.93 0.51 3.67 0.55 0.00 0.73 -4.83 105.19 111.76 3i9e n GLY 48 Ca 0.35 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 3i9e n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9e s LYS 49 N 0.00 4.29 -0.08 1.61 1.02 -1.26 -3.28 119.74 122.03 3i9e s LYS 49 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.89 3i9e s LYS 49 Cb 0.00 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 3i9e s LYS 49 CO 0.00 -0.27 0.00 0.09 -0.92 0.00 0.00 175.35 174.25 3i9e n ASN 50 N 5.05 -3.11 -4.28 2.83 3.02 -1.26 -0.05 115.26 117.46 3i9e n ASN 50 Ca 0.02 0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.27 3i9e n ASN 50 Cb 0.49 -0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 38.82 3i9e n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i9e s VAL 51 N -2.02 2.36 0.09 2.41 1.01 -1.21 -0.49 120.40 122.55 3i9e s VAL 51 Ca 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3i9e s VAL 51 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3i9e s VAL 51 CO 0.00 0.55 -0.17 -0.83 0.00 0.00 0.00 175.10 174.66 3i9e s GLY 52 N 0.21 1.02 -0.07 4.51 0.00 -1.14 -4.45 107.32 107.39 3i9e s GLY 52 Ca -0.13 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.49 3i9e s GLY 52 CO 0.07 -1.14 -0.12 -3.16 0.00 0.00 0.00 173.10 168.74 3i9e s MET 53 N -1.90 1.73 0.76 2.90 0.23 -1.25 -2.54 119.30 119.22 3i9e s MET 53 Ca 0.02 -0.42 -0.12 0.00 -1.03 0.00 0.00 55.69 54.15 3i9e s MET 53 Cb -0.09 -1.44 0.05 0.00 -1.53 0.00 0.00 34.83 31.82 3i9e s MET 53 CO 0.03 0.02 1.12 0.20 -2.03 0.00 0.00 175.02 174.36 3i9e s GLY 54 N 0.70 1.61 0.17 3.16 0.00 -1.08 -4.75 107.32 107.14 3i9e s GLY 54 Ca -0.14 -0.42 0.12 0.00 0.00 0.00 0.00 44.72 44.27 3i9e s GLY 54 CO 0.03 -0.00 0.64 -0.96 0.00 0.00 0.00 173.10 172.81 3i9e n ARG 55 N -3.19 -0.02 -0.01 2.90 1.85 -1.26 0.11 116.66 117.04 3i9e n ARG 55 Ca 0.07 0.53 0.14 0.00 -1.00 0.00 0.00 57.85 57.59 3i9e n ARG 55 Cb 0.58 -1.01 0.53 0.00 -1.05 0.00 0.00 32.46 31.51 3i9e n ARG 55 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3i9e n ASP 56 N -3.64 1.42 -0.92 2.89 3.85 -1.26 -4.93 116.55 113.97 3i9e n ASP 56 Ca 0.16 -1.50 0.00 0.00 -0.71 0.00 0.00 54.79 52.74 3i9e n ASP 56 Cb 0.60 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.36 3i9e n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3i9e n PHE 57 N 0.12 0.00 -4.63 2.11 0.99 0.30 -4.81 117.46 111.54 3i9e n PHE 57 Ca 0.19 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.31 3i9e n PHE 57 Cb 0.33 -1.77 -0.13 0.00 -1.00 0.00 0.00 39.48 36.91 3i9e n PHE 57 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 3i9e s THR 58 N -2.73 3.37 -0.10 4.37 2.01 -1.19 -3.92 115.64 117.45 3i9e s THR 58 Ca 0.00 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 3i9e s THR 58 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3i9e s THR 58 CO 0.00 0.51 0.52 -0.76 -0.69 0.00 0.00 174.62 174.20 3i9e s LEU 59 N 0.36 4.30 -0.02 4.42 1.43 -0.41 -2.64 118.68 126.12 3i9e s LEU 59 Ca -0.08 0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 53.82 3i9e s LEU 59 Cb -0.15 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.31 3i9e s LEU 59 CO 0.05 -0.00 0.21 0.72 0.23 0.00 0.00 176.35 177.56 3i9e s PHE 60 N 0.54 -0.08 0.86 0.29 -0.12 -1.05 0.28 117.98 118.69 3i9e s PHE 60 Ca 0.28 0.13 -0.11 0.00 -0.05 0.00 0.00 56.93 57.18 3i9e s PHE 60 Cb -0.16 0.02 0.11 0.00 -0.63 0.00 0.00 43.02 42.37 3i9e s PHE 60 CO 0.12 -0.30 1.16 0.00 -0.05 0.00 0.00 175.22 176.15 3i9e s ALA 61 N -1.13 1.70 -0.12 1.99 0.00 -0.20 -2.88 121.76 121.13 3i9e s ALA 61 Ca -0.12 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 3i9e s ALA 61 Cb -0.06 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 3i9e s ALA 61 CO 0.02 -2.46 -0.11 1.28 0.00 0.00 0.00 175.76 174.49 3i9e n LEU 62 N -3.80 2.57 -4.59 0.00 4.77 0.35 -3.30 117.00 113.00 3i9e n LEU 62 Ca 0.12 -0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 3i9e n LEU 62 Cb 0.52 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 3i9e n LEU 62 CO 0.49 0.61 -0.28 0.68 -1.33 0.00 0.00 177.39 177.55 3i9e s VAL 63 N -2.23 1.80 0.00 4.08 -7.23 -1.26 -4.60 120.40 110.96 3i9e s VAL 63 Ca -0.16 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 3i9e s VAL 63 Cb 0.04 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.05 3i9e s VAL 63 CO 0.25 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.51 3i9e n ASP 64 N -0.92 -0.48 0.00 4.85 9.92 -1.26 -4.37 116.55 124.29 3i9e n ASP 64 Ca -0.05 -0.28 0.00 0.00 -0.53 0.00 0.00 54.79 53.94 3i9e n ASP 64 Cb 0.67 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.15 3i9e n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i9e n GLY 65 N 2.67 0.41 3.42 0.44 0.00 -1.15 -4.50 105.19 106.48 3i9e n GLY 65 Ca 0.00 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 3i9e n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i9e s VAL 66 N 0.00 1.55 -0.13 1.61 -7.23 0.08 -1.27 120.40 115.01 3i9e s VAL 66 Ca 0.00 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 3i9e s VAL 66 Cb 0.00 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 3i9e s VAL 66 CO 0.00 -0.30 0.23 -0.69 -0.31 0.00 0.00 175.10 174.03 3i9e s VAL 67 N -3.07 5.35 -0.01 1.32 1.01 -1.21 0.16 120.40 123.95 3i9e s VAL 67 Ca 0.29 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.69 3i9e s VAL 67 Cb 0.04 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3i9e s VAL 67 CO 0.11 0.50 0.01 -1.83 0.00 0.00 0.00 175.10 173.89 3i9e s GLU 68 N -0.26 0.02 -0.17 2.72 -1.05 -0.74 0.05 118.70 119.28 3i9e s GLU 68 Ca 0.15 0.06 -0.09 0.00 -0.15 0.00 0.00 54.97 54.94 3i9e s GLU 68 Cb -0.13 -0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.38 3i9e s GLU 68 CO 0.04 -0.06 0.15 -0.06 0.95 0.00 0.00 175.26 176.27 3i9e s PHE 69 N 0.44 3.48 -0.17 4.83 0.40 -1.26 0.15 117.98 125.84 3i9e s PHE 69 Ca -0.04 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.71 3i9e s PHE 69 Cb -0.05 -2.10 0.04 0.00 0.51 0.00 0.00 43.02 41.41 3i9e s PHE 69 CO -0.01 0.43 -0.08 -1.14 0.70 0.00 0.00 175.22 175.12 3i9e s GLN 70 N -0.09 1.75 -0.82 0.44 0.74 0.19 -4.98 119.66 116.90 3i9e s GLN 70 Ca 0.11 -0.63 -0.18 0.00 0.05 0.00 0.00 55.36 54.71 3i9e s GLN 70 Cb -0.12 -2.15 0.14 0.00 1.10 0.00 0.00 33.01 31.98 3i9e s GLN 70 CO 0.00 -0.40 0.95 0.34 -0.55 0.00 0.00 175.29 175.63 3i9e s ASP 71 N 1.53 6.53 -1.03 6.67 3.68 -1.26 0.69 116.67 133.48 3i9e s ASP 71 Ca 0.01 -1.98 -0.08 0.00 2.13 0.00 0.00 52.55 52.63 3i9e s ASP 71 Cb -0.15 -2.34 -0.13 0.00 -1.45 0.00 0.00 42.92 38.85 3i9e s ASP 71 CO -0.08 -1.00 2.91 0.54 0.13 0.00 0.00 175.17 177.67 3i9e n ARG 72 N 6.04 2.86 0.00 4.34 5.12 0.38 -4.94 116.66 130.46 3i9e n ARG 72 Ca 0.13 -1.69 0.00 0.00 -1.93 0.00 0.00 57.85 54.36 3i9e n ARG 72 Cb 0.47 -2.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.28 3i9e n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i9e n GLY 73 N 3.31 2.03 0.16 -0.13 0.00 -1.24 0.32 105.19 109.63 3i9e n GLY 73 Ca 0.61 0.44 -0.18 0.00 0.00 0.00 0.00 46.02 46.89 3i9e n GLY 73 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i9e h ARG 74 N 0.00 0.49 0.00 1.61 -0.00 -2.04 -3.13 114.38 111.31 3i9e h ARG 74 Ca 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 59.98 59.35 3i9e h ARG 74 Cb 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 29.97 30.17 3i9e h ARG 74 CO 0.00 1.25 0.00 1.28 -0.00 0.00 0.00 179.97 182.50 3i9e n LEU 75 N -3.73 0.00 0.00 0.08 4.77 0.15 -4.88 117.00 113.39 3i9e n LEU 75 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3i9e n LEU 75 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 3i9e n LEU 75 CO 0.55 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3i9e n GLY 76 N -0.78 -0.12 3.03 -0.72 0.00 -1.00 -4.83 105.19 100.77 3i9e n GLY 76 Ca 0.00 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.29 3i9e n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9e s ARG 77 N 0.00 0.81 0.13 1.61 0.52 -1.26 0.14 118.95 120.91 3i9e s ARG 77 Ca 0.00 -0.34 0.08 0.00 -0.52 0.00 0.00 55.73 54.95 3i9e s ARG 77 Cb 0.00 -0.78 -0.04 0.00 0.52 0.00 0.00 34.95 34.65 3i9e s ARG 77 CO 0.00 0.20 -0.18 0.71 0.02 0.00 0.00 175.30 176.05 3i9e s TYR 78 N -0.17 1.70 -0.13 -0.53 1.51 0.22 -0.22 117.35 119.74 3i9e s TYR 78 Ca 0.03 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 3i9e s TYR 78 Cb -0.04 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 3i9e s TYR 78 CO -0.00 0.25 -0.15 0.08 -1.11 0.00 0.00 175.55 174.62 3i9e s VAL 79 N -1.77 1.52 0.45 0.71 1.01 -1.13 0.55 120.40 121.74 3i9e s VAL 79 Ca 0.11 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3i9e s VAL 79 Cb -0.07 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3i9e s VAL 79 CO 0.05 0.45 0.32 -1.00 0.00 0.00 0.00 175.10 174.92 3i9e s HIS 80 N 1.24 2.42 -0.52 5.22 3.76 0.12 -0.19 115.29 127.33 3i9e s HIS 80 Ca -0.01 -0.61 0.04 0.00 -0.15 0.00 0.00 55.06 54.33 3i9e s HIS 80 Cb -0.14 -2.05 0.16 0.00 1.11 0.00 0.00 32.58 31.66 3i9e s HIS 80 CO -0.06 -0.11 0.36 0.08 -0.85 0.00 0.00 174.74 174.15 3i9e s VAL 81 N -2.59 1.59 -0.26 -0.90 1.01 0.92 -1.80 120.40 118.38 3i9e s VAL 81 Ca 0.43 -3.17 -0.39 0.00 0.00 0.00 0.00 61.98 58.85 3i9e s VAL 81 Cb -0.01 -2.08 -0.15 0.00 0.00 0.00 0.00 36.38 34.15 3i9e s VAL 81 CO 0.25 -1.04 1.80 -1.14 0.00 0.00 0.00 175.10 174.97 3i9e n ARG 82 N 2.80 1.31 0.00 2.72 3.00 0.12 -4.69 116.66 121.93 3i9e n ARG 82 Ca 0.19 0.48 0.08 0.00 -0.00 0.00 0.00 57.85 58.60 3i9e n ARG 82 Cb 0.39 -2.21 0.50 0.00 0.00 0.00 0.00 32.46 31.14 3i9e n ARG 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28