#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n ARG 2 N 0.00 0.00 0.00 -1.46 1.74 -1.26 -1.33 116.66 114.35 3df4 n ARG 2 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3df4 n ARG 2 Cb 0.00 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.64 3df4 n ARG 2 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3df4 n VAL 3 N 0.00 1.23 0.02 1.55 0.24 -1.26 -1.55 118.33 118.56 3df4 n VAL 3 Ca 0.00 0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 62.48 3df4 n VAL 3 Cb 0.00 -1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 31.20 3df4 n VAL 3 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df4 h ALA 4 N 2.34 0.46 -0.95 2.33 0.00 -1.47 -2.98 119.26 119.00 3df4 h ALA 4 Ca 0.00 -0.60 -0.53 0.00 0.00 0.00 0.00 54.91 53.77 3df4 h ALA 4 Cb 0.14 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 17.60 3df4 h ALA 4 CO 0.00 0.73 0.68 0.36 0.00 0.00 0.00 179.25 181.02 3df4 n LYS 5 N -3.88 2.29 -0.73 0.00 0.00 -0.59 -4.42 118.16 110.83 3df4 n LYS 5 Ca -0.06 -2.94 -0.29 0.00 -0.00 0.00 0.00 58.31 55.03 3df4 n LYS 5 Cb 0.73 -2.15 0.22 0.00 -0.00 0.00 0.00 35.03 33.83 3df4 n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df4 s ALA 6 N -3.27 0.10 0.22 0.58 0.00 -1.13 -4.94 121.76 113.32 3df4 s ALA 6 Ca 0.56 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.34 3df4 s ALA 6 Cb 0.46 -3.24 0.25 0.00 0.00 0.00 0.00 23.12 20.60 3df4 s ALA 6 CO 0.08 -3.46 1.85 -1.35 0.00 0.00 0.00 175.76 172.88 3df4 h PRO 7 N -2.35 0.91 0.00 0.00 0.11 -1.94 -3.47 132.00 125.26 3df4 h PRO 7 Ca -0.58 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.48 3df4 h PRO 7 Cb 1.32 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3df4 h PRO 7 CO 0.51 0.60 0.00 0.28 -0.21 0.00 0.00 178.00 179.19 3df4 n VAL 8 N -4.63 0.00 -1.37 3.15 0.31 -1.26 -4.68 118.33 109.85 3df4 n VAL 8 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3df4 n VAL 8 Cb 0.12 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 3df4 n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3df4 n VAL 9 N 0.00 -2.84 -3.17 2.52 0.31 -1.26 -4.82 118.33 109.06 3df4 n VAL 9 Ca 0.00 1.38 -0.15 0.00 -0.01 0.00 0.00 64.34 65.57 3df4 n VAL 9 Cb 0.00 -2.22 -0.05 0.00 -0.91 0.00 0.00 33.84 30.65 3df4 n VAL 9 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3df4 s VAL 10 N -4.98 -0.37 0.00 2.52 1.01 -1.26 -4.33 120.40 112.98 3df4 s VAL 10 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.52 3df4 s VAL 10 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.78 3df4 s VAL 10 CO 0.00 -0.57 0.00 -2.65 0.00 0.00 0.00 175.10 171.88 3df4 n PRO 11 N 3.39 -0.47 -3.47 2.72 -0.02 -1.26 -4.64 135.00 131.24 3df4 n PRO 11 Ca 0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.30 3df4 n PRO 11 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.91 3df4 n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df4 s ALA 12 N -2.06 3.56 0.00 3.55 0.00 -1.26 -4.03 121.76 121.53 3df4 s ALA 12 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3df4 s ALA 12 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3df4 s ALA 12 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3df4 n GLY 13 N 3.42 0.21 3.65 0.00 0.00 -1.26 -5.03 105.19 106.18 3df4 n GLY 13 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3df4 n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df4 s VAL 14 N -2.03 4.84 0.05 1.61 -7.23 -1.26 -4.28 120.40 112.09 3df4 s VAL 14 Ca 0.00 1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 61.69 3df4 s VAL 14 Cb 0.00 -4.14 -0.04 0.00 0.56 0.00 0.00 36.38 32.76 3df4 s VAL 14 CO 0.00 -0.05 1.19 -0.78 -0.31 0.00 0.00 175.10 175.15 3df4 h ASP 15 N 7.55 -0.67 -4.64 4.85 3.58 -1.41 -3.47 116.42 122.22 3df4 h ASP 15 Ca -0.25 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.29 3df4 h ASP 15 Cb 1.10 0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.43 3df4 h ASP 15 CO 0.87 -0.13 -0.21 0.52 -2.88 0.00 0.00 179.24 177.42 3df4 n VAL 16 N -3.66 -8.08 -4.00 2.25 0.31 -1.18 -4.92 118.33 99.06 3df4 n VAL 16 Ca -0.01 0.31 -0.28 0.00 -0.01 0.00 0.00 64.34 64.35 3df4 n VAL 16 Cb 0.11 -6.18 -0.04 0.00 -0.91 0.00 0.00 33.84 26.82 3df4 n VAL 16 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3df4 s LYS 17 N -2.49 3.18 -0.18 5.55 2.20 0.23 -4.94 119.74 123.29 3df4 s LYS 17 Ca 0.10 -0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 54.92 3df4 s LYS 17 Cb -0.03 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.51 3df4 s LYS 17 CO 0.54 0.53 0.44 -1.50 -0.36 0.00 0.00 175.35 175.00 3df4 s ILE 18 N -1.66 -0.02 -0.39 5.43 1.10 -1.25 -2.73 121.20 121.68 3df4 s ILE 18 Ca 0.33 0.06 0.08 0.00 -0.51 0.00 0.00 60.65 60.61 3df4 s ILE 18 Cb -0.11 -0.65 0.25 0.00 0.15 0.00 0.00 42.46 42.10 3df4 s ILE 18 CO 0.26 0.02 0.52 0.59 -2.11 0.00 0.00 174.94 174.22 3df4 n ASN 19 N 3.87 0.17 0.00 4.50 4.13 0.12 -4.94 115.26 123.11 3df4 n ASN 19 Ca -0.20 -2.69 0.00 0.00 1.68 0.00 0.00 54.58 53.37 3df4 n ASN 19 Cb 0.56 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 3df4 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3df4 n GLY 20 N 1.44 2.18 0.00 7.41 0.00 -1.26 -2.40 105.19 112.55 3df4 n GLY 20 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3df4 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df4 n GLN 21 N 0.00 0.20 -3.92 1.61 1.13 -1.26 -4.96 117.38 110.18 3df4 n GLN 21 Ca 0.00 -0.42 -0.34 0.00 -1.94 0.00 0.00 57.00 54.30 3df4 n GLN 21 Cb 0.00 -0.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.66 3df4 n GLN 21 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3df4 s VAL 22 N -0.12 5.39 -0.02 5.09 1.01 -1.01 -2.77 120.40 127.97 3df4 s VAL 22 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 3df4 s VAL 22 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3df4 s VAL 22 CO 0.00 0.40 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 3df4 s ILE 23 N -1.24 -0.00 -0.02 2.22 1.09 -1.14 0.16 121.20 122.27 3df4 s ILE 23 Ca 0.24 0.01 0.02 0.00 -1.10 0.00 0.00 60.65 59.82 3df4 s ILE 23 Cb -0.12 -0.08 0.00 0.00 -1.06 0.00 0.00 42.46 41.20 3df4 s ILE 23 CO 0.15 0.00 -0.08 -0.89 -0.10 0.00 0.00 174.94 174.03 3df4 s THR 24 N 0.09 0.66 -0.12 2.92 2.01 -1.11 -3.38 115.64 116.72 3df4 s THR 24 Ca -0.01 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3df4 s THR 24 Cb -0.01 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.94 3df4 s THR 24 CO -0.00 0.21 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.45 3df4 s ILE 25 N 0.19 0.94 0.36 1.82 1.09 -1.23 0.78 121.20 125.14 3df4 s ILE 25 Ca -0.03 -0.30 0.09 0.00 -1.10 0.00 0.00 60.65 59.31 3df4 s ILE 25 Cb -0.08 -1.02 -0.06 0.00 -1.06 0.00 0.00 42.46 40.24 3df4 s ILE 25 CO 0.00 0.30 -0.04 -0.75 -0.10 0.00 0.00 174.94 174.35 3df4 s LYS 26 N 1.73 1.92 0.00 2.79 2.20 -1.26 -0.10 119.74 127.03 3df4 s LYS 26 Ca 0.04 -1.92 0.00 0.00 -0.36 0.00 0.00 55.97 53.73 3df4 s LYS 26 Cb -0.13 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 3df4 s LYS 26 CO -0.08 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 3df4 n GLY 27 N -0.88 -0.48 3.77 5.54 0.00 0.59 -1.05 105.19 112.67 3df4 n GLY 27 Ca -0.05 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 3df4 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df4 s LYS 28 N -2.00 3.77 0.00 1.61 -2.85 -1.20 -3.85 119.74 115.22 3df4 s LYS 28 Ca 0.00 1.93 0.00 0.00 -1.00 0.00 0.00 55.97 56.90 3df4 s LYS 28 Cb 0.00 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 3df4 s LYS 28 CO 0.00 -0.59 0.00 -1.71 0.10 0.00 0.00 175.35 173.15 3df4 n ASN 29 N -0.33 0.00 -4.68 0.03 5.15 -1.26 -1.41 115.26 112.75 3df4 n ASN 29 Ca 0.06 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.67 3df4 n ASN 29 Cb 0.46 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.63 3df4 n ASN 29 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3df4 s GLY 30 N 0.00 2.07 -0.30 8.20 0.00 0.06 -4.89 107.32 112.45 3df4 s GLY 30 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.09 3df4 s GLY 30 CO 0.00 0.55 -0.03 -0.54 0.00 0.00 0.00 173.10 173.09 3df4 s GLU 31 N 1.00 2.07 0.52 2.90 8.01 -1.26 -0.30 118.70 131.64 3df4 s GLU 31 Ca 0.14 -1.50 0.00 0.00 0.01 0.00 0.00 54.97 53.62 3df4 s GLU 31 Cb -0.14 -3.08 0.00 0.00 -4.31 0.00 0.00 34.13 26.61 3df4 s GLU 31 CO 0.05 -0.71 0.00 1.28 0.01 0.00 0.00 175.26 175.89 3df4 n LEU 32 N 4.44 -2.18 -3.85 1.80 4.77 0.86 -4.86 117.00 117.97 3df4 n LEU 32 Ca -0.09 2.97 -0.12 0.00 -0.03 0.00 0.00 56.01 58.74 3df4 n LEU 32 Cb 0.42 -2.90 -0.12 0.00 -2.33 0.00 0.00 43.42 38.49 3df4 n LEU 32 CO 0.23 0.35 -0.24 0.42 -1.33 0.00 0.00 177.39 176.82 3df4 s THR 33 N -3.53 0.02 -0.16 -5.08 -4.23 -0.96 -4.76 115.64 96.95 3df4 s THR 33 Ca 0.00 -0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.32 3df4 s THR 33 Cb 0.00 -0.20 -0.03 0.00 1.34 0.00 0.00 72.50 73.61 3df4 s THR 33 CO 0.00 -0.08 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.83 3df4 s ARG 34 N -0.24 3.65 -0.25 3.99 1.81 -1.26 -3.52 118.95 123.14 3df4 s ARG 34 Ca -0.03 -0.53 -0.18 0.00 -1.72 0.00 0.00 55.73 53.27 3df4 s ARG 34 Cb -0.02 -2.92 0.07 0.00 -0.45 0.00 0.00 34.95 31.63 3df4 s ARG 34 CO 0.00 0.21 0.64 0.99 -0.68 0.00 0.00 175.30 176.47 3df4 s THR 35 N 0.44 -0.00 0.04 0.02 2.01 -1.22 -5.06 115.64 111.87 3df4 s THR 35 Ca -0.04 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.04 3df4 s THR 35 Cb -0.14 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 3df4 s THR 35 CO 0.03 0.00 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.03 3df4 s LEU 36 N 0.99 2.65 0.00 4.42 2.01 -1.26 -2.89 118.68 124.60 3df4 s LEU 36 Ca -0.05 -0.41 0.00 0.00 0.01 0.00 0.00 54.13 53.68 3df4 s LEU 36 Cb -0.05 -1.54 0.00 0.00 0.01 0.00 0.00 46.19 44.61 3df4 s LEU 36 CO -0.09 0.25 0.00 0.59 1.01 0.00 0.00 176.35 178.11 3df4 n ASN 37 N 1.52 0.18 0.02 2.29 4.13 -1.12 -5.07 115.26 117.22 3df4 n ASN 37 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 3df4 n ASN 37 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3df4 n ASN 37 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3df4 n ASP 38 N 0.00 -0.41 -1.39 6.41 5.75 -1.26 -4.93 116.55 120.72 3df4 n ASP 38 Ca 0.00 0.16 0.08 0.00 -0.01 0.00 0.00 54.79 55.02 3df4 n ASP 38 Cb 0.00 0.60 0.33 0.00 -1.03 0.00 0.00 41.12 41.01 3df4 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3df4 n ALA 39 N -2.20 3.20 -3.20 2.12 0.00 -1.26 -4.86 120.51 114.32 3df4 n ALA 39 Ca 0.00 -1.84 -0.45 0.00 0.00 0.00 0.00 53.44 51.15 3df4 n ALA 39 Cb 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 3df4 n ALA 39 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3df4 s VAL 40 N -2.29 5.12 0.00 0.00 1.01 -1.26 0.33 120.40 123.31 3df4 s VAL 40 Ca 0.47 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 3df4 s VAL 40 Cb 0.34 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 3df4 s VAL 40 CO 0.17 -0.77 2.59 1.21 0.00 0.00 0.00 175.10 178.30 3df4 n GLU 41 N 5.20 1.37 -1.50 2.72 2.13 0.37 -4.84 120.64 126.09 3df4 n GLU 41 Ca -0.13 -0.47 -0.56 0.00 0.66 0.00 0.00 57.16 56.66 3df4 n GLU 41 Cb 0.41 -1.52 -0.07 0.00 0.27 0.00 0.00 31.44 30.53 3df4 n GLU 41 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3df4 n VAL 42 N 2.08 0.35 -4.76 6.31 3.14 -1.26 -3.94 118.33 120.25 3df4 n VAL 42 Ca 0.20 -0.09 -0.33 0.00 -2.96 0.00 0.00 64.34 61.17 3df4 n VAL 42 Cb 0.65 -0.18 -0.07 0.00 -1.06 0.00 0.00 33.84 33.18 3df4 n VAL 42 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3df4 s LYS 43 N -0.10 2.20 0.15 1.45 -0.14 0.23 -4.90 119.74 118.63 3df4 s LYS 43 Ca 0.85 -2.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.04 3df4 s LYS 43 Cb -1.15 -1.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 3df4 s LYS 43 CO 0.55 -0.41 0.00 1.58 -0.76 0.00 0.00 175.35 176.31 3df4 n HIS 44 N -1.27 -0.90 0.00 3.18 -0.00 -1.26 0.13 115.22 115.11 3df4 n HIS 44 Ca -0.20 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.14 3df4 n HIS 44 Cb 0.67 0.23 0.00 0.00 -0.12 0.00 0.00 29.99 30.77 3df4 n HIS 44 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3df4 n ALA 45 N -3.36 0.00 -1.74 1.57 0.00 -1.26 -4.40 120.51 111.32 3df4 n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df4 n ALA 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3df4 n ASP 46 N 4.10 0.00 -0.10 0.00 3.85 -1.26 -5.02 116.55 118.12 3df4 n ASP 46 Ca 0.00 0.00 -0.23 0.00 -0.71 0.00 0.00 54.79 53.85 3df4 n ASP 46 Cb 0.00 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 39.65 3df4 n ASP 46 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3df4 n ASN 47 N 0.00 1.98 -4.77 -1.12 0.23 -1.26 -4.94 115.26 105.37 3df4 n ASN 47 Ca 0.00 0.21 -0.37 0.00 -0.53 0.00 0.00 54.58 53.90 3df4 n ASN 47 Cb 0.00 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 36.94 3df4 n ASN 47 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3df4 s THR 48 N -2.49 2.95 0.83 5.53 -4.23 -1.26 -4.55 115.64 112.42 3df4 s THR 48 Ca -0.32 0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 3df4 s THR 48 Cb 0.10 -3.33 0.13 0.00 1.34 0.00 0.00 72.50 70.74 3df4 s THR 48 CO 0.60 -0.04 1.17 -0.22 -0.54 0.00 0.00 174.62 175.59 3df4 s LEU 49 N -3.33 2.71 0.03 4.79 2.96 -1.26 -4.54 118.68 120.04 3df4 s LEU 49 Ca 0.68 0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 54.95 3df4 s LEU 49 Cb -0.29 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 3df4 s LEU 49 CO 0.35 -2.14 0.01 -0.89 -1.32 0.00 0.00 176.35 172.36 3df4 s THR 50 N -3.57 0.15 -0.06 3.68 2.01 0.36 -4.56 115.64 113.64 3df4 s THR 50 Ca 0.66 -1.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 3df4 s THR 50 Cb -0.08 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.62 3df4 s THR 50 CO 0.49 -0.68 0.00 -0.36 -0.69 0.00 0.00 174.62 173.39 3df4 s PHE 51 N -2.55 0.57 0.06 4.92 0.08 -1.26 0.74 117.98 120.54 3df4 s PHE 51 Ca -0.06 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3df4 s PHE 51 Cb -0.02 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 3df4 s PHE 51 CO -0.05 -0.28 -0.03 0.20 -0.10 0.00 0.00 175.22 174.96 3df4 s GLY 52 N 1.82 0.51 -0.01 4.36 0.00 -1.25 -4.48 107.32 108.26 3df4 s GLY 52 Ca 0.02 -1.23 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 3df4 s GLY 52 CO -0.04 -1.33 1.72 -4.14 0.00 0.00 0.00 173.10 169.31 3df4 s PRO 53 N -3.92 4.18 0.12 2.90 0.02 -1.26 0.14 135.00 137.17 3df4 s PRO 53 Ca 0.08 2.31 -0.31 0.00 0.02 0.00 0.00 61.00 63.10 3df4 s PRO 53 Cb 0.08 -3.94 -0.08 0.00 0.02 0.00 0.00 34.50 30.58 3df4 s PRO 53 CO -0.09 -0.84 1.38 0.50 -0.33 0.00 0.00 177.00 177.62 3df4 s ARG 54 N 3.81 4.33 0.33 5.54 3.00 0.15 -4.65 118.95 131.46 3df4 s ARG 54 Ca 0.77 2.07 -0.28 0.00 -1.00 0.00 0.00 55.73 57.28 3df4 s ARG 54 Cb -0.37 -3.25 -0.12 0.00 0.00 0.00 0.00 34.95 31.21 3df4 s ARG 54 CO 0.33 -0.42 1.29 -0.25 0.00 0.00 0.00 175.30 176.24 3df4 n ASP 55 N 3.88 2.72 -0.35 -2.12 8.00 -1.26 -2.70 116.55 124.72 3df4 n ASP 55 Ca 0.11 1.20 -0.04 0.00 0.71 0.00 0.00 54.79 56.78 3df4 n ASP 55 Cb 0.42 -1.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.04 3df4 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3df4 n GLY 56 N 0.89 0.50 2.96 0.44 0.00 -1.26 -5.03 105.19 103.69 3df4 n GLY 56 Ca 0.05 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3df4 n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3df4 s TYR 57 N -2.16 2.13 0.03 1.61 1.51 -1.10 -5.02 117.35 114.35 3df4 s TYR 57 Ca 0.00 -1.35 -0.26 0.00 -1.01 0.00 0.00 57.07 54.45 3df4 s TYR 57 Cb 0.00 -1.52 -0.17 0.00 -0.11 0.00 0.00 41.96 40.16 3df4 s TYR 57 CO 0.00 -0.69 1.38 0.00 -1.11 0.00 0.00 175.55 175.13 3df4 h ALA 58 N 8.04 -0.41 0.00 3.71 0.00 -1.96 -2.26 119.26 126.38 3df4 h ALA 58 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3df4 h ALA 58 Cb 1.11 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3df4 h ALA 58 CO 0.46 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 178.70 3df4 n ASP 59 N -5.16 0.00 -3.83 0.00 5.75 -1.26 -4.76 116.55 107.29 3df4 n ASP 59 Ca -0.10 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 3df4 n ASP 59 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3df4 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3df4 n GLY 60 N 0.02 -3.33 5.20 6.12 0.00 -0.85 -2.66 105.19 109.69 3df4 n GLY 60 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3df4 n GLY 60 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3df4 n TRP 61 N -1.13 0.00 -0.22 1.61 7.02 -1.26 -2.71 117.44 120.75 3df4 n TRP 61 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 3df4 n TRP 61 Cb 0.00 0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.02 3df4 n TRP 61 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3df4 h ALA 62 N -0.80 0.85 -0.20 6.99 0.00 -1.94 0.61 119.26 124.77 3df4 h ALA 62 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3df4 h ALA 62 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3df4 h ALA 62 CO 0.00 -0.23 0.21 0.37 0.00 0.00 0.00 179.25 179.59 3df4 h GLN 63 N 0.37 0.00 0.04 0.00 5.75 -1.30 0.23 115.11 120.20 3df4 h GLN 63 Ca 0.35 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.54 3df4 h GLN 63 Cb 0.49 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 3df4 h GLN 63 CO -0.37 0.00 -1.71 0.00 -2.65 0.00 0.00 178.83 174.10 3df4 h ALA 64 N 1.78 0.62 -0.08 3.38 0.00 -0.33 -3.29 119.26 121.35 3df4 h ALA 64 Ca 0.10 -1.38 -0.00 0.00 0.00 0.00 0.00 54.91 53.62 3df4 h ALA 64 Cb 0.51 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3df4 h ALA 64 CO -0.00 1.46 0.03 0.78 0.00 0.00 0.00 179.25 181.52 3df4 h GLY 65 N 2.76 0.12 1.03 0.00 0.00 0.30 -0.08 103.07 107.19 3df4 h GLY 65 Ca -0.29 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.04 3df4 h GLY 65 CO 0.09 0.06 0.48 0.00 0.00 0.00 0.00 176.54 177.18 3df4 h THR 66 N -0.03 1.02 -0.14 4.70 1.03 -1.08 -0.36 112.91 118.06 3df4 h THR 66 Ca 0.03 -0.27 -0.13 0.00 -0.01 0.00 0.00 66.41 66.03 3df4 h THR 66 Cb 0.16 0.18 -0.01 0.00 -1.07 0.00 0.00 68.15 67.41 3df4 h THR 66 CO -0.00 0.14 -0.47 0.00 -0.01 0.00 0.00 175.52 175.18 3df4 h ALA 67 N 1.60 0.94 0.18 0.00 0.00 -1.52 -1.16 119.26 119.30 3df4 h ALA 67 Ca 0.32 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3df4 h ALA 67 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3df4 h ALA 67 CO -0.11 0.65 -0.42 -0.09 0.00 0.00 0.00 179.25 179.28 3df4 h ARG 68 N 0.29 -0.63 -0.68 0.00 1.12 0.78 0.87 114.38 116.12 3df4 h ARG 68 Ca 0.02 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.86 3df4 h ARG 68 Cb 0.93 0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 31.01 3df4 h ARG 68 CO 0.08 -0.42 0.13 0.00 -3.11 0.00 0.00 179.97 176.65 3df4 h ALA 69 N -0.84 0.95 -0.67 2.80 0.00 -1.56 -2.32 119.26 117.62 3df4 h ALA 69 Ca -0.02 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.77 3df4 h ALA 69 Cb 0.63 -0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 3df4 h ALA 69 CO -0.18 0.66 0.02 1.25 0.00 0.00 0.00 179.25 181.01 3df4 h LEU 70 N 1.04 -0.25 -0.57 0.00 7.12 -0.67 0.67 115.31 122.65 3df4 h LEU 70 Ca 0.21 0.16 -0.12 0.00 0.13 0.00 0.00 57.88 58.26 3df4 h LEU 70 Cb 0.41 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.80 3df4 h LEU 70 CO 0.01 -0.12 -0.16 -0.07 -0.13 0.00 0.00 178.44 177.97 3df4 h LEU 71 N 0.13 1.00 -1.57 2.25 -0.00 -0.60 -2.50 115.31 114.02 3df4 h LEU 71 Ca 0.36 -0.35 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 3df4 h LEU 71 Cb 0.59 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 3df4 h LEU 71 CO -0.56 1.13 0.32 -1.13 -0.00 0.00 0.00 178.44 178.20 3df4 h ASN 72 N 0.87 0.49 -0.78 -0.43 -0.73 0.07 -0.02 115.58 115.05 3df4 h ASN 72 Ca 0.13 -0.01 0.12 0.00 1.87 0.00 0.00 56.30 58.41 3df4 h ASN 72 Cb 0.72 -0.12 -0.05 0.00 0.27 0.00 0.00 38.32 39.14 3df4 h ASN 72 CO 0.06 0.35 0.51 0.28 -0.37 0.00 0.00 177.43 178.25 3df4 h SER 73 N 0.58 0.54 0.30 1.15 0.02 0.61 -0.54 113.55 116.21 3df4 h SER 73 Ca 0.19 0.02 -0.32 0.00 -0.84 0.00 0.00 61.79 60.84 3df4 h SER 73 Cb 0.05 -0.09 0.03 0.00 0.14 0.00 0.00 62.40 62.53 3df4 h SER 73 CO -0.05 0.30 -1.39 0.24 -1.14 0.00 0.00 176.83 174.80 3df4 h MET 74 N 0.58 0.51 -0.87 3.45 2.86 -1.05 -3.02 114.93 117.40 3df4 h MET 74 Ca 0.37 -0.82 0.11 0.00 -2.06 0.00 0.00 59.70 57.30 3df4 h MET 74 Cb 0.64 0.30 -0.06 0.00 0.06 0.00 0.00 31.60 32.54 3df4 h MET 74 CO -0.14 1.39 0.56 0.28 1.06 0.00 0.00 176.91 180.06 3df4 h VAL 75 N 0.16 0.91 -0.01 -2.22 2.07 -0.24 0.10 116.25 117.02 3df4 h VAL 75 Ca -0.22 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3df4 h VAL 75 Cb 2.08 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3df4 h VAL 75 CO 0.26 0.14 -0.07 0.40 0.02 0.00 0.00 177.57 178.32 3df4 h ILE 76 N 0.77 1.51 -0.90 4.57 1.08 -1.33 -3.25 117.51 119.96 3df4 h ILE 76 Ca 0.42 -1.60 0.10 0.00 -0.39 0.00 0.00 64.86 63.39 3df4 h ILE 76 Cb 0.54 2.54 -0.08 0.00 -3.07 0.00 0.00 36.82 36.75 3df4 h ILE 76 CO -0.18 0.42 0.54 1.23 -0.69 0.00 0.00 178.15 179.48 3df4 h GLY 77 N -0.56 1.43 -2.34 5.37 0.00 -1.24 0.29 103.07 106.02 3df4 h GLY 77 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3df4 h GLY 77 CO 0.01 0.16 0.00 3.33 0.00 0.00 0.00 176.54 180.04 3df4 n VAL 78 N -4.68 1.34 0.00 4.60 0.24 0.28 -0.76 118.33 119.35 3df4 n VAL 78 Ca 0.16 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3df4 n VAL 78 Cb 0.30 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 3df4 n VAL 78 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3df4 n THR 79 N 0.84 0.00 1.18 3.34 -1.04 0.03 -3.25 114.28 115.38 3df4 n THR 79 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 3df4 n THR 79 Cb 0.50 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.21 3df4 n THR 79 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3df4 n GLU 80 N 0.00 1.63 0.00 -2.82 -0.58 -0.83 -4.29 120.64 113.75 3df4 n GLU 80 Ca 0.00 -0.97 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 3df4 n GLU 80 Cb 0.00 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3df4 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3df4 n GLY 81 N 0.97 1.71 3.24 0.62 0.00 -1.08 -4.89 105.19 105.76 3df4 n GLY 81 Ca 0.11 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 3df4 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df4 s PHE 82 N 0.00 0.07 0.00 1.61 0.08 0.15 -4.07 117.98 115.82 3df4 s PHE 82 Ca 0.00 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.58 3df4 s PHE 82 Cb 0.00 0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 3df4 s PHE 82 CO 0.00 -0.59 0.00 0.25 -0.10 0.00 0.00 175.22 174.78 3df4 n THR 83 N -0.11 0.00 0.00 0.64 -2.24 -1.26 -3.38 114.28 107.93 3df4 n THR 83 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3df4 n THR 83 Cb 0.63 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3df4 n THR 83 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3df4 n LYS 84 N 0.00 0.00 -2.49 -0.78 0.00 -1.26 -4.32 118.16 109.31 3df4 n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3df4 n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3df4 n LYS 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3df4 n LYS 85 N 0.00 -0.98 -3.47 -1.58 0.00 -1.26 -4.78 118.16 106.09 3df4 n LYS 85 Ca 0.00 0.97 -0.22 0.00 -0.00 0.00 0.00 58.31 59.06 3df4 n LYS 85 Cb 0.00 -0.67 -0.12 0.00 -0.00 0.00 0.00 35.03 34.24 3df4 n LYS 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3df4 s LEU 86 N -0.06 0.08 0.04 -5.58 1.43 -0.33 -2.05 118.68 112.21 3df4 s LEU 86 Ca 0.00 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 3df4 s LEU 86 Cb 0.00 0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 3df4 s LEU 86 CO 0.00 -0.40 0.12 0.00 0.23 0.00 0.00 176.35 176.30 3df4 s GLN 87 N 2.25 3.12 -0.05 1.70 -2.07 -1.07 -1.74 119.66 121.81 3df4 s GLN 87 Ca 0.09 -0.53 0.05 0.00 -1.82 0.00 0.00 55.36 53.15 3df4 s GLN 87 Cb -0.15 -2.88 -0.01 0.00 -1.09 0.00 0.00 33.01 28.89 3df4 s GLN 87 CO -0.31 0.62 -0.20 -0.48 -1.32 0.00 0.00 175.29 173.59 3df4 s LEU 88 N -2.14 1.98 0.00 2.60 0.05 -1.26 -1.75 118.68 118.17 3df4 s LEU 88 Ca 0.28 -0.42 0.00 0.00 0.05 0.00 0.00 54.13 54.04 3df4 s LEU 88 Cb -0.12 -1.13 0.00 0.00 -2.05 0.00 0.00 46.19 42.89 3df4 s LEU 88 CO 0.20 0.19 0.00 0.52 -0.55 0.00 0.00 176.35 176.71 3df4 n VAL 89 N 3.08 0.00 -1.21 1.48 0.31 -0.91 -4.84 118.33 116.24 3df4 n VAL 89 Ca -0.18 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.20 3df4 n VAL 89 Cb 0.53 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.43 3df4 n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3df4 n GLY 90 N 5.00 -3.63 0.00 2.92 0.00 -1.26 -4.37 105.19 103.85 3df4 n GLY 90 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3df4 n GLY 90 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df4 n VAL 91 N -2.88 0.00 -0.72 1.61 0.24 -1.26 -4.28 118.33 111.05 3df4 n VAL 91 Ca -0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.88 3df4 n VAL 91 Cb 0.44 -0.29 -0.12 0.00 -1.47 0.00 0.00 33.84 32.40 3df4 n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3df4 n GLY 92 N 0.97 0.43 0.00 7.63 0.00 -1.26 -4.36 105.19 108.60 3df4 n GLY 92 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3df4 n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3df4 n TYR 93 N 10.87 0.00 -0.80 1.61 0.53 -1.25 -4.12 117.16 123.99 3df4 n TYR 93 Ca 0.46 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 57.40 3df4 n TYR 93 Cb 0.43 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.72 3df4 n TYR 93 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3df4 n ARG 94 N -0.98 -1.03 0.00 -0.72 -4.01 -1.26 -3.97 116.66 104.68 3df4 n ARG 94 Ca 0.00 0.77 0.00 0.00 -1.04 0.00 0.00 57.85 57.58 3df4 n ARG 94 Cb 0.00 -1.55 0.00 0.00 -3.04 0.00 0.00 32.46 27.87 3df4 n ARG 94 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3df4 n ALA 95 N -2.36 0.00 0.07 2.89 0.00 0.20 -4.12 120.51 117.18 3df4 n ALA 95 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3df4 n ALA 95 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3df4 n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 n ALA 96 N -3.00 0.00 -1.48 0.00 0.00 -1.24 -4.92 120.51 109.87 3df4 n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 96 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df4 n ALA 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3df4 n VAL 97 N -2.75 -7.49 -3.38 0.00 0.31 -1.26 -4.59 118.33 99.17 3df4 n VAL 97 Ca 0.00 1.56 -0.26 0.00 -0.01 0.00 0.00 64.34 65.63 3df4 n VAL 97 Cb 0.00 -4.17 -0.09 0.00 -0.91 0.00 0.00 33.84 28.67 3df4 n VAL 97 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3df4 n LYS 98 N 0.89 0.54 0.00 5.55 5.02 -1.22 -4.93 118.16 124.02 3df4 n LYS 98 Ca 0.00 -3.35 0.00 0.00 -2.02 0.00 0.00 58.31 52.94 3df4 n LYS 98 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3df4 n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df4 n GLY 99 N 2.31 2.10 0.21 0.72 0.00 -1.26 -3.58 105.19 105.69 3df4 n GLY 99 Ca 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3df4 n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3df4 n ASN 100 N 3.63 0.00 -3.80 1.61 6.94 -1.26 -4.95 115.26 117.43 3df4 n ASN 100 Ca 0.00 -0.63 -0.29 0.00 -0.02 0.00 0.00 54.58 53.64 3df4 n ASN 100 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 3df4 n ASN 100 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3df4 s VAL 101 N 0.00 1.95 -0.78 3.53 -7.23 -1.23 -0.04 120.40 116.59 3df4 s VAL 101 Ca 0.00 -3.04 -0.26 0.00 -1.81 0.00 0.00 61.98 56.88 3df4 s VAL 101 Cb 0.00 -2.34 -0.14 0.00 0.56 0.00 0.00 36.38 34.45 3df4 s VAL 101 CO 0.00 -0.89 2.42 -0.38 -0.31 0.00 0.00 175.10 175.93 3df4 n ILE 102 N 3.17 -0.00 -2.08 -0.62 5.41 -0.06 -3.40 119.36 121.77 3df4 n ILE 102 Ca 0.10 -0.51 -0.37 0.00 1.00 0.00 0.00 62.75 62.96 3df4 n ILE 102 Cb 0.34 -1.99 -0.03 0.00 -0.71 0.00 0.00 39.64 37.25 3df4 n ILE 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3df4 s ASN 103 N 10.79 5.33 -0.10 4.38 3.04 -1.26 -2.25 114.94 134.87 3df4 s ASN 103 Ca 0.94 0.15 -0.04 0.00 0.04 0.00 0.00 52.86 53.95 3df4 s ASN 103 Cb -0.15 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 3df4 s ASN 103 CO 0.10 -2.37 0.07 -0.76 -3.04 0.00 0.00 177.10 171.09 3df4 s LEU 104 N 8.92 3.98 -0.27 3.21 1.43 -1.26 -3.67 118.68 131.01 3df4 s LEU 104 Ca 0.65 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 54.02 3df4 s LEU 104 Cb -0.12 -1.94 0.09 0.00 0.03 0.00 0.00 46.19 44.25 3df4 s LEU 104 CO 0.18 0.39 0.11 -0.44 0.23 0.00 0.00 176.35 176.82 3df4 s SER 105 N -0.96 3.50 -0.08 2.29 0.01 -1.26 0.61 113.70 117.81 3df4 s SER 105 Ca 0.14 -1.27 -0.04 0.00 1.31 0.00 0.00 55.95 56.08 3df4 s SER 105 Cb -0.12 -0.51 0.04 0.00 0.21 0.00 0.00 66.02 65.65 3df4 s SER 105 CO 0.03 -0.41 0.19 -1.48 0.41 0.00 0.00 173.24 171.98 3df4 s LEU 106 N 1.95 0.65 0.00 2.44 2.34 -1.26 -3.89 118.68 120.91 3df4 s LEU 106 Ca 0.08 0.40 0.00 0.00 0.06 0.00 0.00 54.13 54.67 3df4 s LEU 106 Cb -0.16 0.55 0.00 0.00 -0.56 0.00 0.00 46.19 46.01 3df4 s LEU 106 CO -0.28 -0.15 0.00 0.61 -1.06 0.00 0.00 176.35 175.47 3df4 n GLY 107 N 4.08 -0.16 3.39 -3.48 0.00 -1.26 -4.81 105.19 102.95 3df4 n GLY 107 Ca -0.25 0.28 -0.47 0.00 0.00 0.00 0.00 46.02 45.59 3df4 n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df4 n PHE 108 N 0.00 -0.73 -0.39 1.61 3.01 -1.26 -4.72 117.46 114.98 3df4 n PHE 108 Ca 0.00 0.90 -0.02 0.00 1.01 0.00 0.00 57.45 59.34 3df4 n PHE 108 Cb 0.00 -1.94 -0.03 0.00 -0.01 0.00 0.00 39.48 37.51 3df4 n PHE 108 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3df4 n SER 109 N 2.03 3.34 0.00 4.37 3.41 -1.26 -4.72 113.62 120.79 3df4 n SER 109 Ca 0.17 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 3df4 n SER 109 Cb 0.28 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 3df4 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3df4 n HIS 110 N 1.93 0.00 0.00 7.33 -0.00 -1.26 -5.18 115.22 118.04 3df4 n HIS 110 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 3df4 n HIS 110 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 3df4 n HIS 110 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3df4 n PRO 111 N -0.45 -0.61 0.03 -1.40 -0.02 -1.26 -4.59 135.00 126.69 3df4 n PRO 111 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3df4 n PRO 111 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3df4 n PRO 111 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3df4 n VAL 112 N -2.14 0.06 -2.45 -1.45 0.31 0.20 -4.86 118.33 107.99 3df4 n VAL 112 Ca 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3df4 n VAL 112 Cb 0.00 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3df4 n VAL 112 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3df4 n ASP 113 N -2.73 -5.44 -4.64 4.52 8.00 -1.22 -4.86 116.55 110.18 3df4 n ASP 113 Ca 0.00 -0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 3df4 n ASP 113 Cb 0.00 -3.58 -0.05 0.00 -0.02 0.00 0.00 41.12 37.47 3df4 n ASP 113 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3df4 s HIS 114 N -3.02 3.31 -0.00 1.24 5.65 -0.95 -4.81 115.29 116.71 3df4 s HIS 114 Ca 0.03 1.01 -0.23 0.00 0.25 0.00 0.00 55.06 56.12 3df4 s HIS 114 Cb -0.00 -2.95 -0.05 0.00 -1.18 0.00 0.00 32.58 28.40 3df4 s HIS 114 CO 0.45 -0.34 0.67 1.14 -0.65 0.00 0.00 174.74 176.01 3df4 s GLN 115 N 2.59 4.40 0.36 2.88 0.00 -1.26 -0.89 119.66 127.75 3df4 s GLN 115 Ca 0.31 0.87 -0.25 0.00 -0.00 0.00 0.00 55.36 56.29 3df4 s GLN 115 Cb -0.15 -3.37 -0.10 0.00 0.00 0.00 0.00 33.01 29.39 3df4 s GLN 115 CO 0.08 0.27 0.99 -0.51 0.00 0.00 0.00 175.29 176.12 3df4 s LEU 116 N 0.07 4.22 0.00 2.60 1.02 0.94 -4.98 118.68 122.55 3df4 s LEU 116 Ca 0.35 1.90 0.00 0.00 0.02 0.00 0.00 54.13 56.40 3df4 s LEU 116 Cb -0.19 -4.14 0.00 0.00 0.02 0.00 0.00 46.19 41.88 3df4 s LEU 116 CO 0.19 -0.27 0.00 -2.65 0.02 0.00 0.00 176.35 173.65 3df4 n PRO 117 N 0.19 0.00 0.00 1.29 -0.02 -1.26 -4.99 135.00 130.20 3df4 n PRO 117 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3df4 n PRO 117 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3df4 n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df4 n ALA 118 N -3.00 1.86 -0.56 3.55 0.00 -1.26 -4.92 120.51 116.18 3df4 n ALA 118 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3df4 n ALA 118 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3df4 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 119 N 0.86 2.38 3.64 0.00 0.00 -1.26 -4.61 105.19 106.20 3df4 n GLY 119 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 3df4 n GLY 119 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3df4 s ILE 120 N 2.67 0.00 -0.08 -0.61 -1.16 -1.26 -3.46 121.20 117.30 3df4 s ILE 120 Ca 0.34 0.00 -0.08 0.00 -0.51 0.00 0.00 60.65 60.39 3df4 s ILE 120 Cb 0.13 -1.00 0.02 0.00 0.61 0.00 0.00 42.46 42.22 3df4 s ILE 120 CO -0.01 0.00 0.23 -0.89 -2.81 0.00 0.00 174.94 171.46 3df4 s THR 121 N 1.08 0.01 0.29 4.00 2.01 -0.91 -4.66 115.64 117.46 3df4 s THR 121 Ca -0.06 -0.07 0.11 0.00 0.31 0.00 0.00 61.69 61.98 3df4 s THR 121 Cb -0.04 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 3df4 s THR 121 CO -0.13 -0.04 -0.18 0.00 -0.69 0.00 0.00 174.62 173.58 3df4 s ALA 122 N -0.05 2.75 0.04 7.40 0.00 -1.26 0.10 121.76 130.75 3df4 s ALA 122 Ca -0.02 -1.91 0.02 0.00 0.00 0.00 0.00 51.96 50.05 3df4 s ALA 122 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3df4 s ALA 122 CO 0.01 0.23 -0.08 -2.00 0.00 0.00 0.00 175.76 173.92 3df4 s GLU 123 N -3.54 0.54 -0.62 0.00 -6.30 -0.13 -4.92 118.70 103.73 3df4 s GLU 123 Ca 0.30 -0.67 -0.10 0.00 -2.50 0.00 0.00 54.97 52.00 3df4 s GLU 123 Cb -0.03 -0.36 0.16 0.00 0.00 0.00 0.00 34.13 33.90 3df4 s GLU 123 CO 0.15 0.07 0.51 0.00 0.02 0.00 0.00 175.26 176.02 3df4 n PRO 125 N 4.36 0.00 -2.50 0.00 -0.02 -1.25 -4.73 135.00 130.87 3df4 n PRO 125 Ca 0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.16 3df4 n PRO 125 Cb 0.42 -0.47 -0.04 0.00 -0.02 0.00 0.00 33.50 33.39 3df4 n PRO 125 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3df4 s THR 126 N 0.00 4.25 0.48 3.45 2.01 -1.26 -4.88 115.64 119.69 3df4 s THR 126 Ca 0.00 1.23 0.39 0.00 0.31 0.00 0.00 61.69 63.62 3df4 s THR 126 Cb 0.00 -3.59 0.59 0.00 0.01 0.00 0.00 72.50 69.52 3df4 s THR 126 CO 0.00 -0.47 1.54 1.67 -0.69 0.00 0.00 174.62 176.67 3df4 n GLN 127 N -1.25 -0.02 -2.77 4.92 7.27 -1.26 -0.24 117.38 124.03 3df4 n GLN 127 Ca 0.07 1.17 -0.32 0.00 0.07 0.00 0.00 57.00 58.00 3df4 n GLN 127 Cb 0.54 -2.46 -0.02 0.00 2.41 0.00 0.00 30.24 30.71 3df4 n GLN 127 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3df4 n THR 128 N -4.37 3.91 -3.78 1.69 -2.24 -1.26 0.62 114.28 108.85 3df4 n THR 128 Ca 0.42 -5.59 -0.13 0.00 -2.27 0.00 0.00 64.05 56.48 3df4 n THR 128 Cb 1.73 -1.42 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 3df4 n THR 128 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3df4 s GLU 129 N -3.75 0.38 -0.08 -0.78 2.02 0.67 -4.07 118.70 113.09 3df4 s GLU 129 Ca 0.46 0.26 -0.03 0.00 0.02 0.00 0.00 54.97 55.68 3df4 s GLU 129 Cb 0.27 0.18 0.04 0.00 0.10 0.00 0.00 34.13 34.73 3df4 s GLU 129 CO -0.15 -0.06 0.17 0.42 0.02 0.00 0.00 175.26 175.65 3df4 s ILE 130 N -0.14 -0.15 -0.11 -1.63 1.01 -0.71 -3.74 121.20 115.73 3df4 s ILE 130 Ca -0.03 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 3df4 s ILE 130 Cb -0.03 -0.29 0.05 0.00 0.01 0.00 0.00 42.46 42.20 3df4 s ILE 130 CO 0.01 0.10 0.07 0.68 0.00 0.00 0.00 174.94 175.81 3df4 s VAL 131 N 1.67 -0.08 -0.32 2.92 -7.23 -0.89 -1.18 120.40 115.28 3df4 s VAL 131 Ca -0.04 0.11 -0.10 0.00 -1.81 0.00 0.00 61.98 60.14 3df4 s VAL 131 Cb -0.12 -0.38 -0.00 0.00 0.56 0.00 0.00 36.38 36.44 3df4 s VAL 131 CO -0.06 -0.06 0.16 -1.48 -0.31 0.00 0.00 175.10 173.35 3df4 s LEU 132 N 2.15 4.21 -0.22 1.32 2.34 -1.26 -0.96 118.68 126.26 3df4 s LEU 132 Ca 0.03 -0.60 -0.23 0.00 0.06 0.00 0.00 54.13 53.40 3df4 s LEU 132 Cb -0.14 -2.01 -0.02 0.00 -0.56 0.00 0.00 46.19 43.47 3df4 s LEU 132 CO -0.06 -0.23 0.72 -0.54 -1.06 0.00 0.00 176.35 175.19 3df4 s LYS 133 N 1.60 4.19 0.27 1.48 1.02 0.28 -4.13 119.74 124.46 3df4 s LYS 133 Ca 0.04 0.76 0.02 0.00 0.02 0.00 0.00 55.97 56.81 3df4 s LYS 133 Cb -0.17 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 3df4 s LYS 133 CO 0.06 -0.39 0.07 0.41 -0.92 0.00 0.00 175.35 174.59 3df4 n GLY 134 N 3.83 3.62 0.06 -3.33 0.00 -1.22 -2.14 105.19 106.01 3df4 n GLY 134 Ca 0.02 -2.10 0.02 0.00 0.00 0.00 0.00 46.02 43.96 3df4 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n ALA 135 N -1.83 1.87 -3.53 4.61 0.00 -1.23 0.34 120.51 120.74 3df4 n ALA 135 Ca -0.11 -1.26 -0.07 0.00 0.00 0.00 0.00 53.44 52.00 3df4 n ALA 135 Cb 0.39 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 3df4 n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3df4 s ASP 136 N -1.22 -0.28 0.28 0.00 2.15 -1.26 -4.04 116.67 112.30 3df4 s ASP 136 Ca 0.07 0.81 0.01 0.00 0.43 0.00 0.00 52.55 53.87 3df4 s ASP 136 Cb 0.06 1.43 0.53 0.00 -0.30 0.00 0.00 42.92 44.63 3df4 s ASP 136 CO 0.01 -0.25 1.86 0.50 -0.17 0.00 0.00 175.17 177.11 3df4 h LYS 137 N 8.15 1.01 0.24 4.34 3.64 -1.94 -2.86 116.57 129.15 3df4 h LYS 137 Ca -0.18 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3df4 h LYS 137 Cb 1.12 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 3df4 h LYS 137 CO 0.17 0.67 -0.36 0.37 -2.27 0.00 0.00 179.45 178.03 3df4 h GLN 138 N 1.04 -0.61 -0.05 1.90 -0.00 -1.97 0.19 115.11 115.62 3df4 h GLN 138 Ca 0.46 0.04 0.01 0.00 -0.00 0.00 0.00 58.65 59.16 3df4 h GLN 138 Cb 0.38 0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.99 3df4 h GLN 138 CO -0.22 -0.41 -0.06 0.28 0.00 0.00 0.00 178.83 178.42 3df4 h VAL 139 N -0.63 0.00 -0.29 2.39 2.07 -1.94 -1.41 116.25 116.43 3df4 h VAL 139 Ca -0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 3df4 h VAL 139 Cb 0.58 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 3df4 h VAL 139 CO -0.11 0.00 -0.31 0.16 0.02 0.00 0.00 177.57 177.33 3df4 h ILE 140 N -0.04 0.28 -0.93 4.57 -0.00 -1.53 0.39 117.51 120.24 3df4 h ILE 140 Ca 0.01 0.00 0.27 0.00 -0.00 0.00 0.00 64.86 65.14 3df4 h ILE 140 Cb 0.07 0.28 -0.04 0.00 -0.00 0.00 0.00 36.82 37.12 3df4 h ILE 140 CO -0.07 0.00 0.81 1.23 -0.00 0.00 0.00 178.15 180.13 3df4 h GLY 141 N -0.29 0.00 0.00 0.16 0.00 -0.31 0.90 103.07 103.53 3df4 h GLY 141 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3df4 h GLY 141 CO -0.46 0.00 -0.06 -1.61 0.00 0.00 0.00 176.54 174.41 3df4 h GLN 142 N 0.00 0.00 -0.99 4.80 5.75 0.70 -2.99 115.11 122.38 3df4 h GLN 142 Ca 0.44 0.00 0.27 0.00 -0.15 0.00 0.00 58.65 59.21 3df4 h GLN 142 Cb 2.06 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.56 3df4 h GLN 142 CO -0.00 0.00 0.68 -0.39 -2.65 0.00 0.00 178.83 176.47 3df4 h VAL 143 N -0.18 0.54 -0.16 2.39 -1.51 -0.15 0.48 116.25 117.66 3df4 h VAL 143 Ca 0.00 -0.06 -0.20 0.00 -1.23 0.00 0.00 66.70 65.21 3df4 h VAL 143 Cb 0.06 0.34 0.01 0.00 -2.13 0.00 0.00 31.29 29.57 3df4 h VAL 143 CO 0.00 0.03 -0.66 0.00 -1.23 0.00 0.00 177.57 175.71 3df4 h ALA 144 N 1.55 0.29 -0.30 5.19 0.00 0.64 -2.66 119.26 123.97 3df4 h ALA 144 Ca 0.51 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3df4 h ALA 144 Cb 1.66 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 3df4 h ALA 144 CO -0.12 0.59 0.14 0.00 0.00 0.00 0.00 179.25 179.86 3df4 h ALA 145 N 0.55 0.36 0.10 0.00 0.00 0.02 -2.05 119.26 118.24 3df4 h ALA 145 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3df4 h ALA 145 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3df4 h ALA 145 CO 0.14 -0.25 -0.24 -0.44 0.00 0.00 0.00 179.25 178.46 3df4 h ASP 146 N 0.29 -0.70 -0.90 0.00 3.32 -1.01 0.56 116.42 117.97 3df4 h ASP 146 Ca 0.13 0.07 0.16 0.00 0.02 0.00 0.00 57.03 57.41 3df4 h ASP 146 Cb 0.06 0.25 -0.16 0.00 0.22 0.00 0.00 39.33 39.71 3df4 h ASP 146 CO -0.10 -0.27 -0.29 0.18 -1.72 0.00 0.00 179.24 177.04 3df4 n LEU 147 N -3.80 -0.45 0.18 1.55 4.77 -1.01 0.14 117.00 118.39 3df4 n LEU 147 Ca -0.04 1.57 0.06 0.00 -0.03 0.00 0.00 56.01 57.56 3df4 n LEU 147 Cb 0.19 -0.42 0.29 0.00 -2.33 0.00 0.00 43.42 41.15 3df4 n LEU 147 CO 0.08 -1.46 0.66 0.08 -1.33 0.00 0.00 177.39 175.42 3df4 h ARG 148 N 0.00 0.00 0.00 3.23 -0.00 -0.99 -2.73 114.38 113.88 3df4 h ARG 148 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.36 3df4 h ARG 148 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.57 3df4 h ARG 148 CO -0.92 0.37 0.00 0.00 -0.00 0.00 0.00 179.97 179.42 3df4 h ALA 149 N 1.63 1.00 0.00 0.08 0.00 0.67 0.25 119.26 122.89 3df4 h ALA 149 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df4 h ALA 149 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3df4 h ALA 149 CO 0.05 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.96 3df4 n TYR 150 N -2.90 0.00 0.09 0.00 4.02 -0.43 -4.25 117.16 113.68 3df4 n TYR 150 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3df4 n TYR 150 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3df4 n TYR 150 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3df4 n ARG 151 N -0.98 0.00 -1.45 -0.72 3.00 -1.03 -4.94 116.66 110.54 3df4 n ARG 151 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 3df4 n ARG 151 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 3df4 n ARG 151 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3df4 n ARG 152 N -2.83 -3.97 -0.82 -0.14 3.00 0.87 -4.86 116.66 107.91 3df4 n ARG 152 Ca 0.00 3.03 -0.33 0.00 -0.00 0.00 0.00 57.85 60.55 3df4 n ARG 152 Cb 0.00 -3.62 0.11 0.00 0.00 0.00 0.00 32.46 28.95 3df4 n ARG 152 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3df4 n PRO 153 N -1.84 -0.35 -4.06 -0.14 -0.02 -1.25 -4.58 135.00 122.75 3df4 n PRO 153 Ca 0.00 -0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.12 3df4 n PRO 153 Cb 0.26 -1.72 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 3df4 n PRO 153 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3df4 s GLU 154 N -3.38 2.02 0.00 -0.52 2.12 -1.24 -4.92 118.70 112.80 3df4 s GLU 154 Ca 0.54 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.41 3df4 s GLU 154 Cb -0.20 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.30 3df4 s GLU 154 CO 0.69 -0.21 0.10 -2.30 -0.54 0.00 0.00 175.26 173.00 3df4 n PRO 155 N 4.71 0.14 0.00 4.30 -0.02 -1.26 -0.44 135.00 142.44 3df4 n PRO 155 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3df4 n PRO 155 Cb 0.50 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 3df4 n PRO 155 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3df4 n TYR 156 N 0.62 0.00 0.05 6.00 0.53 -1.26 0.11 117.16 123.21 3df4 n TYR 156 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3df4 n TYR 156 Cb 0.05 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.36 3df4 n TYR 156 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 3df4 n LYS 157 N -0.32 0.00 0.00 -0.72 3.00 -0.02 -4.92 118.16 115.19 3df4 n LYS 157 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3df4 n LYS 157 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.06 3df4 n LYS 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3df4 n GLY 158 N -1.42 1.00 3.15 3.14 0.00 0.42 -4.89 105.19 106.59 3df4 n GLY 158 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3df4 n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df4 n LYS 159 N -0.53 -0.26 0.00 1.61 5.02 -1.26 -4.12 118.16 118.61 3df4 n LYS 159 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3df4 n LYS 159 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3df4 n LYS 159 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df4 n GLY 160 N 2.76 0.73 3.71 0.72 0.00 -1.26 -3.60 105.19 108.27 3df4 n GLY 160 Ca 0.01 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3df4 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df4 s VAL 161 N -2.24 4.02 0.00 1.61 1.01 -1.26 -2.14 120.40 121.40 3df4 s VAL 161 Ca 0.00 1.47 -0.10 0.00 0.00 0.00 0.00 61.98 63.35 3df4 s VAL 161 Cb 0.00 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3df4 s VAL 161 CO 0.00 0.12 0.20 0.00 0.00 0.00 0.00 175.10 175.42 3df4 s ARG 162 N 0.98 0.56 0.29 2.72 3.03 -0.71 -3.27 118.95 122.56 3df4 s ARG 162 Ca 0.58 -0.35 -0.30 0.00 2.03 0.00 0.00 55.73 57.69 3df4 s ARG 162 Cb -0.29 0.24 -0.12 0.00 -1.03 0.00 0.00 34.95 33.74 3df4 s ARG 162 CO 0.30 -0.14 1.42 0.66 -1.13 0.00 0.00 175.30 176.40 3df4 n TYR 163 N 1.33 2.43 -0.39 5.89 4.01 -1.26 -2.58 117.16 126.58 3df4 n TYR 163 Ca -0.22 0.43 0.36 0.00 -0.16 0.00 0.00 57.90 58.31 3df4 n TYR 163 Cb 0.56 -2.48 0.72 0.00 -0.31 0.00 0.00 39.34 37.82 3df4 n TYR 163 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3df4 h ALA 164 N 3.73 3.07 -3.19 -0.72 0.00 -1.70 -3.08 119.26 117.38 3df4 h ALA 164 Ca -0.46 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 53.80 3df4 h ALA 164 Cb 1.26 0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.74 3df4 h ALA 164 CO 0.71 -1.48 -0.60 0.34 0.00 0.00 0.00 179.25 178.22 3df4 s ASP 165 N -4.93 4.56 0.00 0.00 2.15 -1.26 -4.96 116.67 112.23 3df4 s ASP 165 Ca -0.06 -3.50 0.00 0.00 0.43 0.00 0.00 52.55 49.42 3df4 s ASP 165 Cb 0.24 -1.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.26 3df4 s ASP 165 CO 0.82 -0.14 0.00 -1.84 -0.17 0.00 0.00 175.17 173.84 3df4 n GLU 166 N 2.45 1.82 0.00 4.34 0.00 -1.16 -5.13 120.64 122.95 3df4 n GLU 166 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3df4 n GLU 166 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.78 3df4 n GLU 166 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3df4 n VAL 167 N 0.00 0.00 -2.76 3.84 0.24 -1.26 -5.08 118.33 113.30 3df4 n VAL 167 Ca 0.00 0.31 -0.01 0.00 -2.04 0.00 0.00 64.34 62.60 3df4 n VAL 167 Cb 0.00 -1.23 -0.01 0.00 -1.47 0.00 0.00 33.84 31.13 3df4 n VAL 167 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3df4 n VAL 168 N -1.98-10.87 -0.08 3.34 0.31 -1.26 -4.99 118.33 102.80 3df4 n VAL 168 Ca 0.00 1.81 -0.23 0.00 -0.01 0.00 0.00 64.34 65.92 3df4 n VAL 168 Cb 0.00 -6.36 -0.12 0.00 -0.91 0.00 0.00 33.84 26.45 3df4 n VAL 168 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df4 n ARG 169 N 0.96 0.63 -1.62 5.55 1.74 -1.26 -5.10 116.66 117.56 3df4 n ARG 169 Ca -0.06 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 3df4 n ARG 169 Cb 0.15 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3df4 n ARG 169 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3df4 n THR 170 N -4.03 -4.38 -4.59 0.55 -2.24 -1.26 -5.04 114.28 93.29 3df4 n THR 170 Ca -0.36 2.05 -0.27 0.00 -2.27 0.00 0.00 64.05 63.20 3df4 n THR 170 Cb 0.85 -3.01 -0.09 0.00 -2.10 0.00 0.00 70.33 65.97 3df4 n THR 170 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3df4 s LYS 171 N -4.44 1.93 0.09 -0.78 -0.14 0.29 -4.93 119.74 111.77 3df4 s LYS 171 Ca 0.00 -2.15 -0.11 0.00 -1.36 0.00 0.00 55.97 52.35 3df4 s LYS 171 Cb 0.00 -1.19 -0.06 0.00 -1.68 0.00 0.00 37.83 34.90 3df4 s LYS 171 CO 0.00 -0.26 0.45 -1.83 -0.76 0.00 0.00 175.35 172.95 3df4 s GLU 172 N -3.80 3.84 0.22 1.68 -1.05 -1.26 -4.49 118.70 113.84 3df4 s GLU 172 Ca 0.25 0.29 -0.30 0.00 -0.15 0.00 0.00 54.97 55.06 3df4 s GLU 172 Cb 0.06 -2.99 -0.10 0.00 -0.44 0.00 0.00 34.13 30.66 3df4 s GLU 172 CO 0.13 0.54 1.42 0.00 0.95 0.00 0.00 175.26 178.30 3df4 s ALA 173 N -1.40 3.62 -0.09 -0.84 0.00 -1.26 -4.91 121.76 116.88 3df4 s ALA 173 Ca 0.34 1.27 -0.32 0.00 0.00 0.00 0.00 51.96 53.25 3df4 s ALA 173 Cb -0.14 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.33 3df4 s ALA 173 CO 0.18 -0.69 2.00 1.17 0.00 0.00 0.00 175.76 178.41 3df4 n LYS 174 N 2.65 2.29 -3.96 0.00 4.81 -1.26 -4.96 118.16 117.73 3df4 n LYS 174 Ca 0.08 0.80 -0.36 0.00 -0.87 0.00 0.00 58.31 57.95 3df4 n LYS 174 Cb 0.41 -2.85 -0.06 0.00 0.02 0.00 0.00 35.03 32.54 3df4 n LYS 174 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3df4 s LYS 175 N 4.76 3.36 0.00 1.64 -0.14 -1.26 -5.35 119.74 122.76 3df4 s LYS 175 Ca 0.94 -0.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.37 3df4 s LYS 175 Cb -0.56 -3.12 0.00 0.00 -1.68 0.00 0.00 37.83 32.47 3df4 s LYS 175 CO 0.46 0.76 0.48 1.63 -0.76 0.00 0.00 175.35 177.92