#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g s GLN 3 N 0.00 1.91 0.08 5.31 -0.21 -1.26 -4.43 119.66 121.05 3f1g s GLN 3 Ca 0.00 -0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.09 3f1g s GLN 3 Cb 0.00 -2.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 3f1g s GLN 3 CO 0.00 -1.46 -0.09 0.71 -2.12 0.00 0.00 175.29 172.33 3f1g s TYR 4 N -3.36 0.89 -0.03 0.91 1.51 -0.29 -4.93 117.35 112.06 3f1g s TYR 4 Ca 0.63 -0.64 -0.26 0.00 -1.01 0.00 0.00 57.07 55.79 3f1g s TYR 4 Cb -0.09 -0.51 0.06 0.00 -0.11 0.00 0.00 41.96 41.31 3f1g s TYR 4 CO 0.46 -0.06 0.57 -0.47 -1.11 0.00 0.00 175.55 174.94 3f1g s TYR 5 N -2.23 -0.51 -0.22 2.71 6.14 -1.26 -0.76 117.35 121.21 3f1g s TYR 5 Ca 0.01 0.83 -0.27 0.00 0.64 0.00 0.00 57.07 58.28 3f1g s TYR 5 Cb -0.04 0.33 0.09 0.00 0.42 0.00 0.00 41.96 42.75 3f1g s TYR 5 CO -0.01 -0.56 0.82 0.20 0.64 0.00 0.00 175.55 176.64 3f1g s GLY 6 N -1.34 -0.42 -0.31 8.97 0.00 -1.18 -3.95 107.32 109.11 3f1g s GLY 6 Ca -0.11 2.07 -0.12 0.00 0.00 0.00 0.00 44.72 46.56 3f1g s GLY 6 CO 0.07 1.55 0.21 -1.59 0.00 0.00 0.00 173.10 173.34 3f1g s THR 7 N -0.11 5.30 -0.06 0.90 2.01 -1.26 -2.81 115.64 119.61 3f1g s THR 7 Ca -0.01 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 3f1g s THR 7 Cb -0.04 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3f1g s THR 7 CO 0.01 0.14 0.01 -0.83 -0.69 0.00 0.00 174.62 173.25 3f1g s GLY 8 N 1.74 1.87 0.11 4.40 0.00 -0.98 -4.48 107.32 109.98 3f1g s GLY 8 Ca 0.07 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.95 3f1g s GLY 8 CO 0.11 -0.64 -0.04 0.50 0.00 0.00 0.00 173.10 173.02 3f1g s ARG 9 N -1.11 0.85 0.00 2.90 0.52 -1.25 0.61 118.95 121.47 3f1g s ARG 9 Ca 0.15 -1.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 3f1g s ARG 9 Cb -0.11 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.23 3f1g s ARG 9 CO 0.05 -0.07 0.00 -2.13 0.02 0.00 0.00 175.30 173.18 3f1g n ARG 10 N -0.06 0.00 -3.46 3.54 0.00 0.12 -4.31 116.66 112.50 3f1g n ARG 10 Ca -0.11 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.51 3f1g n ARG 10 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.13 3f1g n ARG 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3f1g n LYS 11 N 0.00 -1.89 0.00 -0.14 5.02 -1.26 -1.17 118.16 118.72 3f1g n LYS 11 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 3f1g n LYS 11 Cb 0.00 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 3f1g n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3f1g n GLU 12 N -3.71 0.00 -3.00 1.97 -0.58 -1.26 -4.12 120.64 109.95 3f1g n GLU 12 Ca -0.09 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.25 3f1g n GLU 12 Cb 0.61 -3.06 -0.05 0.00 -0.57 0.00 0.00 31.44 28.37 3f1g n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3f1g s ALA 13 N -1.72 3.38 -0.00 0.62 0.00 -0.32 -2.82 121.76 120.90 3f1g s ALA 13 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 3f1g s ALA 13 Cb 0.00 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 3f1g s ALA 13 CO 0.00 0.07 0.03 0.08 0.00 0.00 0.00 175.76 175.95 3f1g s VAL 14 N -0.07 0.05 -0.04 0.00 1.01 -0.20 0.15 120.40 121.31 3f1g s VAL 14 Ca 0.38 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3f1g s VAL 14 Cb -0.20 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3f1g s VAL 14 CO 0.23 -0.25 -0.05 0.00 0.00 0.00 0.00 175.10 175.03 3f1g s ALA 15 N -0.76 0.67 -0.52 5.51 0.00 0.20 0.77 121.76 127.63 3f1g s ALA 15 Ca -0.08 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 3f1g s ALA 15 Cb -0.05 -0.36 0.09 0.00 0.00 0.00 0.00 23.12 22.79 3f1g s ALA 15 CO -0.00 0.03 0.53 1.03 0.00 0.00 0.00 175.76 177.35 3f1g s ARG 16 N 0.67 3.03 -0.43 0.00 0.52 0.49 -2.31 118.95 120.92 3f1g s ARG 16 Ca -0.09 -1.32 -0.17 0.00 -0.52 0.00 0.00 55.73 53.63 3f1g s ARG 16 Cb -0.12 -4.19 0.03 0.00 0.52 0.00 0.00 34.95 31.19 3f1g s ARG 16 CO 0.00 -1.24 0.41 0.08 0.02 0.00 0.00 175.30 174.58 3f1g s VAL 17 N 2.06 5.12 -0.45 3.52 1.01 -1.12 -0.11 120.40 130.43 3f1g s VAL 17 Ca 0.08 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 3f1g s VAL 17 Cb -0.24 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.17 3f1g s VAL 17 CO 0.07 -0.43 0.34 -0.36 0.00 0.00 0.00 175.10 174.72 3f1g s PHE 18 N 2.03 3.27 0.08 5.22 2.99 0.20 -3.07 117.98 128.71 3f1g s PHE 18 Ca 0.10 -1.11 -0.21 0.00 0.00 0.00 0.00 56.93 55.70 3f1g s PHE 18 Cb -0.18 -3.06 -0.07 0.00 0.00 0.00 0.00 43.02 39.71 3f1g s PHE 18 CO 0.12 -0.80 0.64 -0.51 -0.00 0.00 0.00 175.22 174.67 3f1g s LEU 19 N 1.57 4.52 -0.11 -0.37 1.43 0.06 0.02 118.68 125.80 3f1g s LEU 19 Ca 0.04 1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 54.43 3f1g s LEU 19 Cb -0.24 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 43.02 3f1g s LEU 19 CO 0.05 0.21 0.25 -0.13 0.23 0.00 0.00 176.35 176.96 3f1g s ARG 20 N -0.88 0.19 0.35 1.70 0.52 -1.01 -1.14 118.95 118.68 3f1g s ARG 20 Ca 0.32 0.58 -0.27 0.00 -0.52 0.00 0.00 55.73 55.84 3f1g s ARG 20 Cb -0.20 -0.10 -0.12 0.00 0.52 0.00 0.00 34.95 35.04 3f1g s ARG 20 CO 0.21 -0.19 1.08 -2.30 0.02 0.00 0.00 175.30 174.11 3f1g n PRO 21 N 4.50 1.55 0.00 3.54 -0.02 -1.26 -0.71 135.00 142.59 3f1g n PRO 21 Ca -0.21 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3f1g n PRO 21 Cb 0.52 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3f1g n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1g n GLY 22 N 1.09 -0.56 0.00 -1.23 0.00 -0.77 -4.55 105.19 99.17 3f1g n GLY 22 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3f1g n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f1g n ASN 23 N 0.00 0.00 -0.05 1.61 5.03 -1.26 -3.59 115.26 117.00 3f1g n ASN 23 Ca 0.00 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.51 3f1g n ASN 23 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 3f1g n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3f1g n GLY 24 N 5.00 -0.14 3.44 7.41 0.00 -1.22 0.58 105.19 120.27 3f1g n GLY 24 Ca 0.00 -0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.21 3f1g n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3f1g n LYS 25 N -1.10 0.45 -4.22 1.61 4.81 -1.26 -4.69 118.16 113.75 3f1g n LYS 25 Ca 0.03 0.07 -0.29 0.00 -0.87 0.00 0.00 58.31 57.25 3f1g n LYS 25 Cb 0.20 -2.07 -0.10 0.00 0.02 0.00 0.00 35.03 33.09 3f1g n LYS 25 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3f1g s VAL 26 N 8.52 3.40 -0.30 3.15 1.01 -1.26 -2.28 120.40 132.63 3f1g s VAL 26 Ca 1.20 -1.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 3f1g s VAL 26 Cb -1.02 -2.60 0.16 0.00 0.00 0.00 0.00 36.38 32.91 3f1g s VAL 26 CO 0.49 0.08 0.81 -0.89 0.00 0.00 0.00 175.10 175.59 3f1g s THR 27 N -1.28 -0.74 -0.39 3.92 2.01 -1.01 -3.36 115.64 114.79 3f1g s THR 27 Ca 0.22 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 3f1g s THR 27 Cb -0.11 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.42 3f1g s THR 27 CO 0.14 0.00 0.26 -0.69 -0.69 0.00 0.00 174.62 173.65 3f1g s VAL 28 N 2.75 5.08 -1.22 3.82 1.01 -1.23 -1.69 120.40 128.92 3f1g s VAL 28 Ca 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 3f1g s VAL 28 Cb -0.10 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3f1g s VAL 28 CO -0.18 -0.23 0.79 0.59 0.00 0.00 0.00 175.10 176.07 3f1g n ASN 29 N 5.11 -2.79 -0.45 3.32 3.02 0.47 -4.44 115.26 119.50 3f1g n ASN 29 Ca -0.12 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3f1g n ASN 29 Cb 0.47 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 3f1g n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f1g n GLY 30 N -1.46 -1.30 1.51 7.41 0.00 -1.26 -5.05 105.19 105.03 3f1g n GLY 30 Ca -0.23 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3f1g n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f1g n GLN 31 N -0.90 -4.26 -2.23 1.61 1.13 -1.26 -4.82 117.38 106.64 3f1g n GLN 31 Ca 0.00 3.20 -0.41 0.00 -1.94 0.00 0.00 57.00 57.85 3f1g n GLN 31 Cb 0.00 -3.68 -0.03 0.00 0.11 0.00 0.00 30.24 26.64 3f1g n GLN 31 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3f1g s ASP 32 N -3.75 6.93 0.12 1.08 -1.08 -1.26 -3.56 116.67 115.14 3f1g s ASP 32 Ca 0.00 2.46 -0.25 0.00 -0.52 0.00 0.00 52.55 54.24 3f1g s ASP 32 Cb 0.00 -2.63 -0.06 0.00 -1.46 0.00 0.00 42.92 38.78 3f1g s ASP 32 CO 0.00 -0.46 1.64 0.15 0.52 0.00 0.00 175.17 177.03 3f1g h PHE 33 N 4.47 -0.62 0.00 -5.34 3.57 -1.87 0.22 116.94 117.36 3f1g h PHE 33 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3f1g h PHE 33 Cb 1.22 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.23 3f1g h PHE 33 CO 0.59 -0.32 0.00 0.09 -2.23 0.00 0.00 178.31 176.44 3f1g n ASN 34 N -5.36 0.36 0.00 0.41 4.13 -1.26 -2.39 115.26 111.16 3f1g n ASN 34 Ca -0.05 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.53 3f1g n ASN 34 Cb 0.27 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 3f1g n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3f1g n GLU 35 N 0.35 0.00 0.00 3.52 4.07 -0.09 -4.59 120.64 123.90 3f1g n GLU 35 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 3f1g n GLU 35 Cb 0.09 -0.51 0.31 0.00 -0.06 0.00 0.00 31.44 31.27 3f1g n GLU 35 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 3f1g n TYR 36 N -1.91 0.00 -2.70 4.31 9.36 0.57 -2.29 117.16 124.50 3f1g n TYR 36 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 3f1g n TYR 36 Cb 0.11 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 38.87 3f1g n TYR 36 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3f1g n PHE 37 N -0.88 0.64 -2.58 2.98 3.01 -1.15 -5.08 117.46 114.39 3f1g n PHE 37 Ca 0.08 -2.54 -0.43 0.00 1.01 0.00 0.00 57.45 55.57 3f1g n PHE 37 Cb 0.04 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.43 3f1g n PHE 37 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3f1g s GLN 38 N -2.74 3.82 0.00 -1.08 0.74 -0.97 -3.45 119.66 115.98 3f1g s GLN 38 Ca 0.26 0.77 0.00 0.00 0.05 0.00 0.00 55.36 56.44 3f1g s GLN 38 Cb 0.43 -3.87 0.00 0.00 1.10 0.00 0.00 33.01 30.67 3f1g s GLN 38 CO 0.01 -1.25 0.00 0.41 -0.55 0.00 0.00 175.29 173.91 3f1g n GLY 39 N 4.56 1.03 2.81 2.59 0.00 -1.26 -5.08 105.19 109.84 3f1g n GLY 39 Ca 0.12 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 3f1g n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1g s LEU 40 N 0.00 0.80 0.47 0.99 1.43 -1.22 -5.01 118.68 116.13 3f1g s LEU 40 Ca 0.00 -0.19 0.29 0.00 -1.03 0.00 0.00 54.13 53.20 3f1g s LEU 40 Cb 0.00 -0.57 1.03 0.00 0.03 0.00 0.00 46.19 46.68 3f1g s LEU 40 CO 0.00 -0.18 1.85 0.58 0.23 0.00 0.00 176.35 178.83 3f1g h VAL 41 N 6.29 0.00 0.00 -1.59 2.07 -1.98 -2.58 116.25 118.46 3f1g h VAL 41 Ca -0.22 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3f1g h VAL 41 Cb 1.13 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3f1g h VAL 41 CO 0.31 0.00 0.00 0.03 0.02 0.00 0.00 177.57 177.93 3f1g h ARG 42 N 0.00 0.00 0.00 1.57 2.47 -1.96 -3.34 114.38 113.12 3f1g h ARG 42 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3f1g h ARG 42 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 3f1g h ARG 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 3f1g n ALA 43 N -2.06 -0.11 0.24 0.04 0.00 -0.97 -2.10 120.51 115.54 3f1g n ALA 43 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.59 3f1g n ALA 43 Cb 0.15 0.37 0.88 0.00 0.00 0.00 0.00 19.45 20.85 3f1g n ALA 43 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3f1g h VAL 44 N 0.00 0.42 -0.88 0.00 -1.51 -1.83 -1.90 116.25 110.55 3f1g h VAL 44 Ca 0.00 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.70 3f1g h VAL 44 Cb 0.00 0.88 -0.05 0.00 -2.13 0.00 0.00 31.29 29.99 3f1g h VAL 44 CO 0.00 0.00 0.61 0.00 -1.23 0.00 0.00 177.57 176.95 3f1g h ALA 45 N 1.81 2.55 -0.41 5.19 0.00 -1.64 -0.36 119.26 126.40 3f1g h ALA 45 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3f1g h ALA 45 Cb 0.35 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3f1g h ALA 45 CO -0.00 -0.81 0.16 0.00 0.00 0.00 0.00 179.25 178.60 3f1g h ALA 46 N 1.59 0.54 -0.08 0.00 0.00 -1.46 -2.65 119.26 117.20 3f1g h ALA 46 Ca 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3f1g h ALA 46 Cb 1.44 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3f1g h ALA 46 CO -0.09 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.59 3f1g n LEU 47 N -4.63 1.47 -0.07 0.00 4.32 -0.15 -4.16 117.00 113.78 3f1g n LEU 47 Ca 0.00 -0.74 -0.05 0.00 -0.02 0.00 0.00 56.01 55.20 3f1g n LEU 47 Cb 0.15 -0.46 0.14 0.00 -1.62 0.00 0.00 43.42 41.63 3f1g n LEU 47 CO 0.37 0.28 0.79 -0.08 -1.22 0.00 0.00 177.39 177.53 3f1g h GLU 48 N 0.52 0.72 -0.50 3.23 4.57 -1.44 -2.73 114.58 118.95 3f1g h GLU 48 Ca 0.00 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 3f1g h GLU 48 Cb 0.62 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 3f1g h GLU 48 CO 0.06 0.82 0.12 -1.00 -1.18 0.00 0.00 179.01 177.83 3f1g h PRO 49 N 0.65 0.76 -0.19 0.92 0.13 -1.83 -1.76 132.00 130.67 3f1g h PRO 49 Ca 0.11 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 3f1g h PRO 49 Cb 0.59 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 3f1g h PRO 49 CO 0.04 0.69 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.35 3f1g h LEU 50 N 0.74 0.27 -0.20 1.56 3.38 -1.79 -1.56 115.31 117.71 3f1g h LEU 50 Ca 0.17 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3f1g h LEU 50 Cb 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3f1g h LEU 50 CO -0.00 0.38 -0.67 0.03 0.09 0.00 0.00 178.44 178.27 3f1g h ARG 51 N 0.28 0.00 -0.51 1.13 3.08 -1.29 -2.06 114.38 115.01 3f1g h ARG 51 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3f1g h ARG 51 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3f1g h ARG 51 CO 0.01 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 179.59 3f1g n ALA 52 N -2.30 2.53 -1.56 0.04 0.00 -0.61 -3.18 120.51 115.44 3f1g n ALA 52 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3f1g n ALA 52 Cb 0.77 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3f1g n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3f1g n VAL 53 N -0.18 0.00 0.00 0.00 0.24 -1.09 -5.00 118.33 112.30 3f1g n VAL 53 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3f1g n VAL 53 Cb 0.16 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 3f1g n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3f1g n ASP 54 N 0.00 0.00 -1.57 -1.34 8.00 -0.82 -4.82 116.55 116.01 3f1g n ASP 54 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3f1g n ASP 54 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3f1g n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f1g n ALA 55 N 0.00 2.34 0.09 2.24 0.00 -0.92 -3.74 120.51 120.52 3f1g n ALA 55 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f1g n ALA 55 Cb 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 3f1g n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3f1g h LEU 56 N 3.01 0.00 -0.32 0.00 6.46 -1.83 -3.28 115.31 119.36 3f1g h LEU 56 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3f1g h LEU 56 Cb 0.41 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3f1g h LEU 56 CO 0.00 0.63 -0.77 0.61 -0.62 0.00 0.00 178.44 178.29 3f1g n GLY 57 N 1.31 -0.57 0.84 3.75 0.00 -1.25 -4.39 105.19 104.89 3f1g n GLY 57 Ca -0.03 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.51 3f1g n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f1g n ARG 58 N -1.00 2.09 -4.04 1.61 0.63 -1.12 -3.37 116.66 111.46 3f1g n ARG 58 Ca 0.05 -1.94 -0.23 0.00 -0.92 0.00 0.00 57.85 54.82 3f1g n ARG 58 Cb 0.35 -1.38 -0.17 0.00 0.45 0.00 0.00 32.46 31.71 3f1g n ARG 58 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3f1g s PHE 59 N -1.23 0.94 0.87 -0.14 0.40 0.20 -1.86 117.98 117.16 3f1g s PHE 59 Ca 0.28 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 56.15 3f1g s PHE 59 Cb 0.17 -0.86 0.12 0.00 0.51 0.00 0.00 43.02 42.96 3f1g s PHE 59 CO 0.23 -0.30 1.21 -0.51 0.70 0.00 0.00 175.22 176.55 3f1g s ASP 60 N 1.35 3.97 -0.30 1.36 1.01 0.11 -4.13 116.67 120.05 3f1g s ASP 60 Ca -0.04 0.68 -0.13 0.00 0.71 0.00 0.00 52.55 53.77 3f1g s ASP 60 Cb -0.14 -1.07 0.16 0.00 1.01 0.00 0.00 42.92 42.89 3f1g s ASP 60 CO -0.03 -2.23 0.93 0.00 0.21 0.00 0.00 175.17 174.05 3f1g s ALA 61 N -3.60 -2.68 -0.41 5.23 0.00 -0.97 -2.40 121.76 116.93 3f1g s ALA 61 Ca 0.65 2.01 -0.18 0.00 0.00 0.00 0.00 51.96 54.45 3f1g s ALA 61 Cb -0.10 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.97 3f1g s ALA 61 CO 0.51 -1.02 0.47 -0.47 0.00 0.00 0.00 175.76 175.24 3f1g s TYR 62 N 2.58 3.16 0.09 0.00 5.04 0.10 -2.40 117.35 125.91 3f1g s TYR 62 Ca -0.01 -0.25 0.03 0.00 -2.44 0.00 0.00 57.07 54.40 3f1g s TYR 62 Cb -0.08 -2.96 -0.04 0.00 0.35 0.00 0.00 41.96 39.24 3f1g s TYR 62 CO -0.17 -0.70 0.07 0.42 -1.34 0.00 0.00 175.55 173.83 3f1g s ILE 63 N 2.26 4.43 -0.42 3.14 1.09 -0.68 -0.63 121.20 130.40 3f1g s ILE 63 Ca 0.14 -0.83 0.03 0.00 -1.10 0.00 0.00 60.65 58.89 3f1g s ILE 63 Cb -0.16 -3.14 0.16 0.00 -1.06 0.00 0.00 42.46 38.26 3f1g s ILE 63 CO 0.14 0.11 0.31 -0.89 -0.10 0.00 0.00 174.94 174.52 3f1g s THR 64 N -1.40 0.50 -0.16 2.92 2.01 0.84 -0.40 115.64 119.96 3f1g s THR 64 Ca 0.29 -2.53 -0.11 0.00 0.31 0.00 0.00 61.69 59.65 3f1g s THR 64 Cb -0.12 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 3f1g s THR 64 CO 0.21 -1.15 0.20 0.54 -0.69 0.00 0.00 174.62 173.74 3f1g s VAL 65 N 0.22 5.37 -0.03 3.82 0.11 -1.26 -0.38 120.40 128.25 3f1g s VAL 65 Ca 0.28 0.35 -0.13 0.00 -2.93 0.00 0.00 61.98 59.55 3f1g s VAL 65 Cb -0.04 -3.52 0.02 0.00 -1.53 0.00 0.00 36.38 31.31 3f1g s VAL 65 CO -0.14 0.48 0.28 -0.60 -3.33 0.00 0.00 175.10 171.79 3f1g s ARG 66 N -0.03 0.59 0.00 1.54 6.06 0.23 -4.95 118.95 122.39 3f1g s ARG 66 Ca 0.13 -0.11 0.00 0.00 -2.50 0.00 0.00 55.73 53.25 3f1g s ARG 66 Cb -0.12 0.26 0.00 0.00 0.06 0.00 0.00 34.95 35.15 3f1g s ARG 66 CO 0.02 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.08 3f1g n GLY 67 N 1.60 0.66 3.86 8.12 0.00 -1.26 -1.03 105.19 117.13 3f1g n GLY 67 Ca -0.20 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.21 3f1g n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1g n GLY 68 N 0.81 -1.64 3.95 -0.02 0.00 -1.13 -3.72 105.19 103.44 3f1g n GLY 68 Ca 0.00 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 3f1g n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1g s GLY 69 N -5.26 1.75 0.02 -0.02 0.00 -1.26 -4.88 107.32 97.67 3f1g s GLY 69 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.47 3f1g s GLY 69 CO 0.00 -0.77 1.11 1.70 0.00 0.00 0.00 173.10 175.15 3f1g h LYS 70 N -0.44 -0.15 -0.88 2.90 1.63 -2.01 -2.16 116.57 115.45 3f1g h LYS 70 Ca -0.43 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 59.60 3f1g h LYS 70 Cb 1.30 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.91 3f1g h LYS 70 CO 0.54 -0.10 0.59 1.03 -3.45 0.00 0.00 179.45 178.06 3f1g h SER 71 N -0.16 0.31 0.06 4.20 0.87 -2.00 0.22 113.55 117.04 3f1g h SER 71 Ca -0.00 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3f1g h SER 71 Cb 0.16 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3f1g h SER 71 CO -0.06 0.12 -0.17 1.23 -0.53 0.00 0.00 176.83 177.42 3f1g h GLY 72 N 0.31 0.25 0.94 5.77 0.00 -1.75 -2.22 103.07 106.37 3f1g h GLY 72 Ca 0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 3f1g h GLY 72 CO -0.14 0.16 0.12 1.46 0.00 0.00 0.00 176.54 178.14 3f1g h GLN 73 N 0.22 0.64 -0.88 4.80 4.20 0.01 0.56 115.11 124.66 3f1g h GLN 73 Ca 0.04 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.66 3f1g h GLN 73 Cb 0.44 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 3f1g h GLN 73 CO 0.03 0.64 0.58 0.82 -0.67 0.00 0.00 178.83 180.23 3f1g h ILE 74 N 0.52 1.11 -0.12 2.54 5.03 -1.31 1.04 117.51 126.31 3f1g h ILE 74 Ca 0.13 -0.36 -0.01 0.00 -0.12 0.00 0.00 64.86 64.50 3f1g h ILE 74 Cb 0.27 -0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 34.02 3f1g h ILE 74 CO -0.00 0.19 0.04 0.44 -0.68 0.00 0.00 178.15 178.14 3f1g h ASP 75 N 1.05 0.17 -0.22 1.72 3.32 -0.91 0.33 116.42 121.89 3f1g h ASP 75 Ca 0.37 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3f1g h ASP 75 Cb 0.11 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3f1g h ASP 75 CO -0.12 0.31 0.13 0.00 -1.72 0.00 0.00 179.24 177.83 3f1g h ALA 76 N 0.87 0.27 0.15 3.45 0.00 0.24 -2.64 119.26 121.59 3f1g h ALA 76 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3f1g h ALA 76 Cb 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3f1g h ALA 76 CO -0.00 -0.27 -0.24 0.82 0.00 0.00 0.00 179.25 179.55 3f1g h ILE 77 N 0.26 0.46 -0.86 0.00 2.04 0.11 0.61 117.51 120.14 3f1g h ILE 77 Ca 0.08 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.16 3f1g h ILE 77 Cb -0.01 0.46 -0.13 0.00 -0.74 0.00 0.00 36.82 36.41 3f1g h ILE 77 CO -0.04 0.00 0.30 0.50 0.00 0.00 0.00 178.15 178.92 3f1g h LYS 78 N -0.46 0.31 -0.20 2.37 3.64 -0.72 0.23 116.57 121.73 3f1g h LYS 78 Ca 0.02 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3f1g h LYS 78 Cb 0.47 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3f1g h LYS 78 CO -0.12 0.20 -0.35 1.25 -2.27 0.00 0.00 179.45 178.17 3f1g h LEU 79 N 0.32 0.65 0.26 5.20 7.12 -1.10 -2.52 115.31 125.23 3f1g h LEU 79 Ca 0.53 -0.54 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 3f1g h LEU 79 Cb 1.01 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.93 3f1g h LEU 79 CO -0.56 1.06 -0.36 1.23 -0.13 0.00 0.00 178.44 179.68 3f1g h GLY 80 N 0.26 -1.13 0.03 3.75 0.00 0.16 -1.08 103.07 105.07 3f1g h GLY 80 Ca 0.01 0.54 0.13 0.00 0.00 0.00 0.00 47.33 48.02 3f1g h GLY 80 CO 0.08 -0.34 0.11 -2.22 0.00 0.00 0.00 176.54 174.17 3f1g h ILE 81 N -0.64 0.56 -0.90 2.60 2.04 -0.86 -0.81 117.51 119.50 3f1g h ILE 81 Ca -0.03 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.84 3f1g h ILE 81 Cb 0.58 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3f1g h ILE 81 CO -0.10 0.04 0.54 0.00 0.00 0.00 0.00 178.15 178.64 3f1g h ALA 82 N 1.55 1.28 -0.11 1.87 0.00 -1.09 0.12 119.26 122.87 3f1g h ALA 82 Ca 0.35 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 3f1g h ALA 82 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3f1g h ALA 82 CO -0.47 0.21 -0.40 0.00 0.00 0.00 0.00 179.25 178.58 3f1g h ARG 83 N 0.93 0.25 0.66 0.00 3.08 0.13 -2.98 114.38 116.44 3f1g h ARG 83 Ca 0.42 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 3f1g h ARG 83 Cb 0.33 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3f1g h ARG 83 CO -0.23 0.62 -0.32 0.00 -1.07 0.00 0.00 179.97 178.98 3f1g h ALA 84 N 1.37 -1.21 0.00 0.04 0.00 0.31 -0.06 119.26 119.70 3f1g h ALA 84 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3f1g h ALA 84 Cb 0.81 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3f1g h ALA 84 CO 0.06 -1.15 0.00 1.47 0.00 0.00 0.00 179.25 179.63 3f1g n LEU 85 N -4.42 0.00 0.07 0.00 -0.00 -0.89 -1.15 117.00 110.61 3f1g n LEU 85 Ca -0.11 0.44 0.11 0.00 -0.00 0.00 0.00 56.01 56.46 3f1g n LEU 85 Cb 0.35 -0.44 -0.02 0.00 -0.00 0.00 0.00 43.42 43.30 3f1g n LEU 85 CO 0.26 -0.16 -0.12 0.55 -0.00 0.00 0.00 177.39 177.93 3f1g n VAL 86 N -1.44 0.41 0.14 1.47 3.14 -1.13 -3.67 118.33 117.25 3f1g n VAL 86 Ca 0.06 -0.48 -0.06 0.00 -2.96 0.00 0.00 64.34 60.90 3f1g n VAL 86 Cb 0.20 -0.17 -0.03 0.00 -1.06 0.00 0.00 33.84 32.78 3f1g n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3f1g h GLN 87 N 0.00 -0.36 -1.99 1.45 4.15 0.55 -2.64 115.11 116.27 3f1g h GLN 87 Ca 0.00 0.02 -0.27 0.00 0.77 0.00 0.00 58.65 59.18 3f1g h GLN 87 Cb 0.94 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 28.62 3f1g h GLN 87 CO 0.00 -0.24 -0.16 0.98 -1.93 0.00 0.00 178.83 177.48 3f1g n TYR 88 N -3.43 0.44 0.00 3.99 9.36 -1.07 -3.88 117.16 122.56 3f1g n TYR 88 Ca -0.05 -1.60 0.00 0.00 3.32 0.00 0.00 57.90 59.57 3f1g n TYR 88 Cb 0.15 -1.49 0.00 0.00 -0.63 0.00 0.00 39.34 37.36 3f1g n TYR 88 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3f1g n ASN 89 N 2.01 0.00 0.00 2.98 3.02 -1.18 -4.95 115.26 117.14 3f1g n ASN 89 Ca 0.43 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 3f1g n ASN 89 Cb 0.80 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.99 3f1g n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3f1g n PRO 90 N 0.00 0.01 0.07 3.52 -0.04 -1.00 -0.89 135.00 136.67 3f1g n PRO 90 Ca 0.00 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 3f1g n PRO 90 Cb 0.00 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 3f1g n PRO 90 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3f1g h ASP 91 N 0.00 0.00 1.57 3.54 2.03 -1.95 -3.31 116.42 118.30 3f1g h ASP 91 Ca 0.00 -0.18 -0.08 0.00 -0.73 0.00 0.00 57.03 56.04 3f1g h ASP 91 Cb 0.01 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 3f1g h ASP 91 CO 0.00 0.09 -0.44 1.88 -1.03 0.00 0.00 179.24 179.74 3f1g h TYR 92 N 0.00 0.00 -0.94 4.15 -1.99 -1.34 -3.27 116.97 113.58 3f1g h TYR 92 Ca 0.00 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.90 3f1g h TYR 92 Cb 0.76 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.41 3f1g h TYR 92 CO 0.00 0.36 0.60 -0.09 -0.00 0.00 0.00 178.16 179.03 3f1g h ARG 93 N 0.00 0.66 -0.93 4.88 2.43 -1.69 -1.17 114.38 118.57 3f1g h ARG 93 Ca -0.01 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.23 3f1g h ARG 93 Cb 1.29 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.62 3f1g h ARG 93 CO 0.05 0.44 0.59 0.00 -1.51 0.00 0.00 179.97 179.54 3f1g h ALA 94 N 1.61 1.62 -0.47 2.80 0.00 -1.80 -1.35 119.26 121.67 3f1g h ALA 94 Ca 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.17 3f1g h ALA 94 Cb 0.85 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.30 3f1g h ALA 94 CO -0.26 0.18 0.05 0.36 0.00 0.00 0.00 179.25 179.58 3f1g n LYS 95 N -4.55 1.95 0.00 0.00 -0.00 -0.49 -4.40 118.16 110.67 3f1g n LYS 95 Ca 0.16 -3.15 0.00 0.00 -0.00 0.00 0.00 58.31 55.32 3f1g n LYS 95 Cb 0.33 -1.89 0.00 0.00 -0.00 0.00 0.00 35.03 33.48 3f1g n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3f1g n LEU 96 N -1.11 1.10 0.13 -5.58 4.32 -0.73 -4.67 117.00 110.47 3f1g n LEU 96 Ca 0.38 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 56.23 3f1g n LEU 96 Cb 1.15 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.87 3f1g n LEU 96 CO 0.27 0.18 0.62 0.50 -1.22 0.00 0.00 177.39 177.74 3f1g h LYS 97 N 0.00 -0.32 -0.99 3.23 1.63 -1.51 -3.07 116.57 115.55 3f1g h LYS 97 Ca 0.00 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.95 3f1g h LYS 97 Cb 0.62 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.23 3f1g h LYS 97 CO 0.00 -0.03 0.61 -1.35 -3.45 0.00 0.00 179.45 175.23 3f1g h PRO 98 N -0.61 0.92 -0.24 1.90 0.11 -1.80 0.13 132.00 132.41 3f1g h PRO 98 Ca -0.03 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3f1g h PRO 98 Cb 0.44 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.34 3f1g h PRO 98 CO 0.06 0.61 0.00 1.28 -0.21 0.00 0.00 178.00 179.73 3f1g n LEU 99 N -4.65 0.35 -2.48 2.35 7.99 -1.22 -4.94 117.00 114.40 3f1g n LEU 99 Ca 0.19 -0.18 -0.05 0.00 -0.01 0.00 0.00 56.01 55.96 3f1g n LEU 99 Cb 0.37 -0.12 -0.04 0.00 -0.11 0.00 0.00 43.42 43.51 3f1g n LEU 99 CO 0.26 0.08 -0.61 0.61 -1.51 0.00 0.00 177.39 176.22 3f1g n GLY 100 N 0.42 -5.11 0.00 -0.72 0.00 0.44 -5.03 105.19 95.19 3f1g n GLY 100 Ca 0.01 1.62 0.00 0.00 0.00 0.00 0.00 46.02 47.65 3f1g n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3f1g n PHE 101 N 1.55 0.00 -2.87 1.61 3.01 -1.17 -4.98 117.46 114.60 3f1g n PHE 101 Ca -0.39 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 57.63 3f1g n PHE 101 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 3f1g n PHE 101 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3f1g n LEU 102 N -0.98 5.76 -3.58 4.37 4.77 -1.26 -4.74 117.00 121.35 3f1g n LEU 102 Ca 0.00 -4.69 -0.15 0.00 -0.03 0.00 0.00 56.01 51.14 3f1g n LEU 102 Cb 0.00 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.50 3f1g n LEU 102 CO 0.00 1.10 0.49 -0.89 -1.33 0.00 0.00 177.39 176.76 3f1g s THR 103 N 0.32 0.00 -0.10 -5.08 2.01 -1.26 -5.06 115.64 106.47 3f1g s THR 103 Ca 0.39 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.62 3f1g s THR 103 Cb -0.00 -1.00 0.25 0.00 0.01 0.00 0.00 72.50 71.76 3f1g s THR 103 CO -0.00 0.00 1.70 -0.09 -0.69 0.00 0.00 174.62 175.54 3f1g h ARG 104 N 3.86 0.00 -4.08 4.92 1.12 -1.91 -3.48 114.38 114.82 3f1g h ARG 104 Ca -0.27 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 3f1g h ARG 104 Cb 1.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 3f1g h ARG 104 CO 0.22 0.20 -0.30 -3.47 -3.11 0.00 0.00 179.97 173.51 3f1g n ASP 105 N -3.22 -4.87 0.00 -3.80 4.64 -1.26 -4.54 116.55 103.49 3f1g n ASP 105 Ca 0.02 0.37 0.06 0.00 -1.38 0.00 0.00 54.79 53.86 3f1g n ASP 105 Cb 0.51 -3.11 0.34 0.00 -1.04 0.00 0.00 41.12 37.82 3f1g n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3f1g n ALA 106 N -0.22 1.80 -1.64 -1.67 0.00 -1.26 -4.72 120.51 112.80 3f1g n ALA 106 Ca 0.04 -0.07 -0.48 0.00 0.00 0.00 0.00 53.44 52.94 3f1g n ALA 106 Cb 0.17 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 3f1g n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f1g n ARG 107 N -1.24 2.01 -3.90 0.00 1.74 -1.26 -4.92 116.66 109.09 3f1g n ARG 107 Ca 0.07 0.70 -0.09 0.00 -0.77 0.00 0.00 57.85 57.76 3f1g n ARG 107 Cb 0.09 -2.69 -0.08 0.00 -1.02 0.00 0.00 32.46 28.76 3f1g n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3f1g s VAL 108 N 5.04 0.15 -0.23 1.55 -7.23 -1.26 -4.69 120.40 113.73 3f1g s VAL 108 Ca 0.96 -1.24 -0.28 0.00 -1.81 0.00 0.00 61.98 59.60 3f1g s VAL 108 Cb -0.67 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3f1g s VAL 108 CO 0.49 -0.69 2.05 0.68 -0.31 0.00 0.00 175.10 177.33 3f1g s VAL 109 N -3.59 3.18 0.41 1.32 -7.23 -1.26 -4.96 120.40 108.26 3f1g s VAL 109 Ca 0.03 0.19 -0.23 0.00 -1.81 0.00 0.00 61.98 60.16 3f1g s VAL 109 Cb 0.04 -3.22 -0.10 0.00 0.56 0.00 0.00 36.38 33.66 3f1g s VAL 109 CO -0.09 -0.13 0.98 -1.83 -0.31 0.00 0.00 175.10 173.71 3f1g s GLU 110 N 5.91 4.24 0.15 4.82 -1.05 -1.26 -4.97 118.70 126.55 3f1g s GLU 110 Ca 0.92 1.28 -0.33 0.00 -0.15 0.00 0.00 54.97 56.69 3f1g s GLU 110 Cb -0.30 -2.39 -0.13 0.00 -0.44 0.00 0.00 34.13 30.87 3f1g s GLU 110 CO 0.35 -0.03 1.68 -2.13 0.95 0.00 0.00 175.26 176.08 3f1g n ARG 111 N -0.29 2.44 -1.94 -4.83 0.63 -1.26 -4.89 116.66 106.51 3f1g n ARG 111 Ca 0.06 0.88 -0.42 0.00 -0.92 0.00 0.00 57.85 57.45 3f1g n ARG 111 Cb 0.52 -2.70 -0.03 0.00 0.45 0.00 0.00 32.46 30.71 3f1g n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3f1g s LYS 112 N 1.45 3.12 0.67 -0.14 2.36 -1.26 -4.53 119.74 121.42 3f1g s LYS 112 Ca 0.79 1.35 -0.14 0.00 -2.55 0.00 0.00 55.97 55.42 3f1g s LYS 112 Cb -0.60 -4.27 0.01 0.00 -1.05 0.00 0.00 37.83 31.92 3f1g s LYS 112 CO 0.37 -2.11 1.10 0.15 1.55 0.00 0.00 175.35 176.41 3f1g s LYS 113 N 6.11 2.74 0.41 4.03 -0.14 -1.26 -4.77 119.74 126.86 3f1g s LYS 113 Ca 0.81 1.34 -0.19 0.00 -1.36 0.00 0.00 55.97 56.56 3f1g s LYS 113 Cb -0.21 -1.95 -0.10 0.00 -1.68 0.00 0.00 37.83 33.89 3f1g s LYS 113 CO 0.31 -1.29 0.90 1.52 -0.76 0.00 0.00 175.35 176.03 3f1g s TYR 114 N -2.45 3.33 0.00 3.18 -0.00 -1.26 -3.58 117.35 116.57 3f1g s TYR 114 Ca 0.66 1.51 0.00 0.00 -0.00 0.00 0.00 57.07 59.23 3f1g s TYR 114 Cb -0.20 -2.77 0.00 0.00 -0.00 0.00 0.00 41.96 39.00 3f1g s TYR 114 CO 0.44 -0.07 0.00 0.41 -0.00 0.00 0.00 175.55 176.33 3f1g n GLY 115 N -0.60 0.66 3.20 5.49 0.00 -1.26 -5.02 105.19 107.66 3f1g n GLY 115 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3f1g n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1g s LYS 116 N -0.22 0.76 0.15 1.61 -0.14 -1.23 -4.71 119.74 115.96 3f1g s LYS 116 Ca 0.00 -0.71 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 3f1g s LYS 116 Cb 0.00 0.32 -0.06 0.00 -1.68 0.00 0.00 37.83 36.40 3f1g s LYS 116 CO 0.00 -0.23 1.33 0.45 -0.76 0.00 0.00 175.35 176.14 3f1g h HIS 117 N 3.20 0.30 -0.23 3.18 3.86 -1.42 -3.41 115.15 120.63 3f1g h HIS 117 Ca -0.33 -0.18 -0.21 0.00 -1.16 0.00 0.00 60.37 58.49 3f1g h HIS 117 Cb 1.20 -0.03 -0.25 0.00 1.06 0.00 0.00 27.41 29.38 3f1g h HIS 117 CO 0.47 1.02 -0.64 1.63 0.86 0.00 0.00 177.93 181.27 3f1g n LYS 118 N -3.62 1.45 -0.14 2.45 5.02 -1.25 -4.95 118.16 117.12 3f1g n LYS 118 Ca -0.04 -2.22 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 3f1g n LYS 118 Cb 0.85 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 3f1g n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f1g n ALA 119 N -1.01 0.00 0.00 7.82 0.00 -1.26 -4.11 120.51 121.96 3f1g n ALA 119 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3f1g n ALA 119 Cb 0.84 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3f1g n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f1g n ARG 120 N -2.00 0.00 -1.66 0.00 1.74 -1.26 -4.66 116.66 108.83 3f1g n ARG 120 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3f1g n ARG 120 Cb 0.00 -0.03 -0.04 0.00 -1.02 0.00 0.00 32.46 31.37 3f1g n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3f1g s ARG 121 N -1.00 2.12 0.32 5.56 3.00 -1.26 -4.92 118.95 122.77 3f1g s ARG 121 Ca 0.00 1.09 -0.27 0.00 -1.00 0.00 0.00 55.73 55.55 3f1g s ARG 121 Cb 0.00 -4.60 -0.09 0.00 0.00 0.00 0.00 34.95 30.26 3f1g s ARG 121 CO 0.00 -3.36 1.02 0.00 0.00 0.00 0.00 175.30 172.96 3f1g s ALA 122 N 12.01 3.26 0.53 6.12 0.00 -1.26 -1.18 121.76 141.23 3f1g s ALA 122 Ca 0.91 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.36 3f1g s ALA 122 Cb -0.15 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 3f1g s ALA 122 CO 0.22 -0.04 1.22 -0.35 0.00 0.00 0.00 175.76 176.81 3f1g n PRO 123 N 0.72 1.50 -1.66 0.00 -0.04 -1.26 -4.87 135.00 129.40 3f1g n PRO 123 Ca 0.01 0.55 -0.45 0.00 -0.04 0.00 0.00 63.50 63.57 3f1g n PRO 123 Cb 0.48 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 3f1g n PRO 123 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3f1g n GLN 124 N -0.75 1.98 -2.10 0.54 1.13 -1.26 -4.98 117.38 111.95 3f1g n GLN 124 Ca 0.11 0.71 -0.28 0.00 -1.94 0.00 0.00 57.00 55.59 3f1g n GLN 124 Cb 0.44 -2.37 0.14 0.00 0.11 0.00 0.00 30.24 28.56 3f1g n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3f1g s TYR 125 N 0.05 2.00 0.00 1.08 6.04 -1.26 -5.09 117.35 120.17 3f1g s TYR 125 Ca 0.70 0.28 0.00 0.00 0.04 0.00 0.00 57.07 58.09 3f1g s TYR 125 Cb -0.67 -3.66 0.00 0.00 -1.04 0.00 0.00 41.96 36.59 3f1g s TYR 125 CO 0.48 -2.13 0.00 -1.13 -1.54 0.00 0.00 175.55 171.23 3f1g n SER 126 N -3.38 0.00 0.00 4.32 3.41 -1.26 -5.07 113.62 111.64 3f1g n SER 126 Ca 0.13 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3f1g n SER 126 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3f1g n SER 126 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3f1g n LYS 127 N 0.00 0.00 0.00 4.33 0.00 -1.26 -5.32 118.16 115.91 3f1g n LYS 127 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.35 3f1g n LYS 127 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.28 3f1g n LYS 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94