#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n GLN 2 N 0.00 0.50 -1.68 2.12 6.02 -1.26 -2.31 117.38 120.77 3i1n n GLN 2 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 3i1n n GLN 2 Cb 0.00 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.62 3i1n n GLN 2 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3i1n n VAL 3 N -4.53 -4.87 -4.13 5.09 0.24 -1.25 -3.65 118.33 105.24 3i1n n VAL 3 Ca -0.16 2.26 -0.27 0.00 -2.04 0.00 0.00 64.34 64.12 3i1n n VAL 3 Cb 0.44 -3.20 -0.07 0.00 -1.47 0.00 0.00 33.84 29.54 3i1n n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i1n s ILE 4 N -3.92 4.14 0.32 1.34 1.01 0.18 -3.34 121.20 120.93 3i1n s ILE 4 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 60.65 59.46 3i1n s ILE 4 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3i1n s ILE 4 CO 0.00 -0.06 0.54 -0.76 0.00 0.00 0.00 174.94 174.65 3i1n s LEU 5 N -2.89 4.04 0.00 2.97 1.43 -1.21 -0.45 118.68 122.56 3i1n s LEU 5 Ca 0.29 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3i1n s LEU 5 Cb -0.10 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3i1n s LEU 5 CO 0.21 -0.25 0.00 0.18 0.23 0.00 0.00 176.35 176.72 3i1n n LEU 6 N -1.45 0.00 0.00 1.79 4.32 0.18 -3.29 117.00 118.55 3i1n n LEU 6 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 3i1n n LEU 6 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 3i1n n LEU 6 CO 0.49 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.13 3i1n n ASP 7 N -0.88 -0.74 0.00 -1.43 8.00 -1.25 -3.81 116.55 116.43 3i1n n ASP 7 Ca 0.00 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3i1n n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3i1n n ASP 7 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3i1n n LYS 8 N -1.19 0.00 0.00 -1.24 3.00 -1.26 -2.69 118.16 114.78 3i1n n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1n n LYS 8 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.00 3i1n n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i1n n VAL 9 N 0.00 0.00 0.00 3.15 0.31 -1.26 -2.61 118.33 117.92 3i1n n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1n n VAL 9 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1n n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1n n ALA 10 N 2.32 0.00 1.11 3.52 0.00 -1.26 0.17 120.51 126.37 3i1n n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1n n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1n n ASN 11 N 0.00 0.68 0.00 0.00 4.13 -1.26 -3.62 115.26 115.19 3i1n n ASN 11 Ca 0.00 -1.79 0.00 0.00 1.68 0.00 0.00 54.58 54.47 3i1n n ASN 11 Cb 0.00 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 3i1n n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1n n LEU 12 N -0.08 0.00 -3.20 3.41 -0.00 -1.14 -5.15 117.00 110.84 3i1n n LEU 12 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 3i1n n LEU 12 Cb 0.17 0.01 0.01 0.00 -0.00 0.00 0.00 43.42 43.61 3i1n n LEU 12 CO 0.00 -0.03 -0.59 0.61 -0.00 0.00 0.00 177.39 177.38 3i1n n GLY 13 N 0.28 -2.66 0.00 1.47 0.00 0.45 -4.97 105.19 99.77 3i1n n GLY 13 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3i1n n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1n n SER 14 N 2.05 0.00 0.00 1.61 3.41 -1.07 -4.75 113.62 114.86 3i1n n SER 14 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3i1n n SER 14 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3i1n n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i1n n LEU 15 N 0.00 0.44 0.00 1.04 7.99 -1.10 -2.44 117.00 122.94 3i1n n LEU 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3i1n n LEU 15 Cb 0.00 -0.82 0.00 0.00 -0.11 0.00 0.00 43.42 42.49 3i1n n LEU 15 CO 0.00 -0.27 0.00 0.61 -1.51 0.00 0.00 177.39 176.22 3i1n n GLY 16 N -0.15 0.00 3.68 -0.72 0.00 -1.21 -4.61 105.19 102.17 3i1n n GLY 16 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i1n n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1n s ASP 17 N 0.00 2.45 -0.71 1.61 1.11 -1.02 -4.54 116.67 115.57 3i1n s ASP 17 Ca 0.00 1.08 -0.16 0.00 0.18 0.00 0.00 52.55 53.65 3i1n s ASP 17 Cb 0.00 -1.70 0.16 0.00 1.07 0.00 0.00 42.92 42.46 3i1n s ASP 17 CO 0.00 -3.22 0.70 -1.58 1.18 0.00 0.00 175.17 172.25 3i1n s GLN 18 N -5.04 3.32 0.50 8.23 2.00 -1.26 -3.36 119.66 124.04 3i1n s GLN 18 Ca 0.66 -1.98 0.06 0.00 -2.00 0.00 0.00 55.36 52.10 3i1n s GLN 18 Cb -0.17 -4.40 0.03 0.00 0.80 0.00 0.00 33.01 29.27 3i1n s GLN 18 CO 0.57 -1.39 0.69 0.14 -0.50 0.00 0.00 175.29 174.80 3i1n s VAL 19 N 1.25 2.75 -0.31 1.34 -7.23 -1.21 -5.08 120.40 111.90 3i1n s VAL 19 Ca 0.13 -0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 59.41 3i1n s VAL 19 Cb -0.18 -2.88 0.11 0.00 0.56 0.00 0.00 36.38 33.99 3i1n s VAL 19 CO -0.03 0.00 0.15 0.21 -0.31 0.00 0.00 175.10 175.12 3i1n s ASN 20 N -4.43 3.42 0.27 4.85 3.04 -1.24 -4.14 114.94 116.70 3i1n s ASN 20 Ca 0.57 -1.57 0.09 0.00 0.04 0.00 0.00 52.86 51.99 3i1n s ASN 20 Cb -0.09 -0.40 -0.04 0.00 -1.54 0.00 0.00 41.25 39.18 3i1n s ASN 20 CO 0.36 -0.40 0.07 0.54 -3.04 0.00 0.00 177.10 174.63 3i1n s VAL 21 N 1.78 3.70 0.42 -5.21 0.11 -0.98 -4.97 120.40 115.25 3i1n s VAL 21 Ca 0.12 -1.75 -0.25 0.00 -2.93 0.00 0.00 61.98 57.16 3i1n s VAL 21 Cb -0.18 -3.02 -0.10 0.00 -1.53 0.00 0.00 36.38 31.56 3i1n s VAL 21 CO -0.26 -0.35 1.26 0.29 -3.33 0.00 0.00 175.10 172.71 3i1n n LYS 22 N -1.00 1.91 -0.36 1.54 5.02 -1.26 -4.60 118.16 119.41 3i1n n LYS 22 Ca -0.06 0.68 -0.02 0.00 -2.02 0.00 0.00 58.31 56.88 3i1n n LYS 22 Cb 0.59 -2.37 0.11 0.00 -0.02 0.00 0.00 35.03 33.34 3i1n n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1n h ALA 23 N 2.07 1.25 0.39 7.82 0.00 -1.98 -3.12 119.26 125.69 3i1n h ALA 23 Ca -0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3i1n h ALA 23 Cb 1.30 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3i1n h ALA 23 CO 0.60 0.66 -0.29 0.78 0.00 0.00 0.00 179.25 181.00 3i1n h GLY 24 N 1.32 -0.95 -0.81 0.00 0.00 -1.90 0.04 103.07 100.78 3i1n h GLY 24 Ca 0.35 0.41 0.28 0.00 0.00 0.00 0.00 47.33 48.37 3i1n h GLY 24 CO -0.07 -0.32 0.22 2.98 0.00 0.00 0.00 176.54 179.35 3i1n n TYR 25 N -4.10 0.72 0.00 5.60 9.36 -1.18 -1.74 117.16 125.82 3i1n n TYR 25 Ca -0.08 0.97 0.00 0.00 3.32 0.00 0.00 57.90 62.11 3i1n n TYR 25 Cb 0.28 -1.24 0.00 0.00 -0.63 0.00 0.00 39.34 37.75 3i1n n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i1n n ALA 26 N -2.84 -0.09 -1.03 2.98 0.00 -0.93 0.01 120.51 118.60 3i1n n ALA 26 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 3i1n n ALA 26 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 3i1n n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1n n ARG 27 N -1.00 2.87 0.00 0.00 5.12 -0.04 -1.67 116.66 121.94 3i1n n ARG 27 Ca 0.00 -1.79 0.00 0.00 -1.93 0.00 0.00 57.85 54.13 3i1n n ARG 27 Cb 0.00 -2.59 0.00 0.00 -1.16 0.00 0.00 32.46 28.71 3i1n n ARG 27 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i1n n ASN 28 N 3.79 0.00 0.10 0.55 4.05 -1.07 -4.86 115.26 117.81 3i1n n ASN 28 Ca 0.61 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.64 3i1n n ASN 28 Cb 0.22 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.23 3i1n n ASN 28 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 3i1n n PHE 29 N 0.00 -3.16 0.00 1.20 7.35 -0.67 -4.97 117.46 117.20 3i1n n PHE 29 Ca 0.00 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.35 3i1n n PHE 29 Cb 0.00 1.88 0.00 0.00 0.35 0.00 0.00 39.48 41.71 3i1n n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3i1n n LEU 30 N -2.83 0.00 0.00 -2.13 4.77 0.10 -4.15 117.00 112.76 3i1n n LEU 30 Ca 0.00 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 3i1n n LEU 30 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3i1n n LEU 30 CO 0.00 -0.22 0.00 1.33 -1.33 0.00 0.00 177.39 177.17 3i1n n VAL 31 N -1.45 0.00 -2.61 4.08 0.24 -1.14 -3.02 118.33 114.44 3i1n n VAL 31 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1n n VAL 31 Cb 0.00 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 3i1n n VAL 31 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3i1n n PRO 32 N -0.53 -0.46 0.00 7.34 -0.02 -1.26 -4.12 135.00 135.95 3i1n n PRO 32 Ca 0.00 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 3i1n n PRO 32 Cb 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 3i1n n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3i1n n GLN 33 N -0.60 0.00 -2.76 -0.52 7.27 -1.25 -4.67 117.38 114.85 3i1n n GLN 33 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 3i1n n GLN 33 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 3i1n n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i1n n GLY 34 N 0.00 -1.36 0.00 1.69 0.00 -1.20 -4.95 105.19 99.38 3i1n n GLY 34 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3i1n n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1n n LYS 35 N 2.25 0.00 -2.88 1.61 5.02 -1.17 -4.85 118.16 118.14 3i1n n LYS 35 Ca -0.08 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.13 3i1n n LYS 35 Cb 0.13 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.14 3i1n n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1n n ALA 36 N -0.01 -0.64 -3.64 7.82 0.00 -1.26 0.48 120.51 123.28 3i1n n ALA 36 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 53.44 52.44 3i1n n ALA 36 Cb 0.00 0.72 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 3i1n n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1n s VAL 37 N -2.56 0.00 0.15 0.00 0.11 0.40 -4.51 120.40 113.98 3i1n s VAL 37 Ca 0.14 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 58.86 3i1n s VAL 37 Cb -0.02 -1.00 -0.17 0.00 -1.53 0.00 0.00 36.38 33.67 3i1n s VAL 37 CO 0.10 0.00 1.06 -2.65 -3.33 0.00 0.00 175.10 170.28 3i1n n PRO 38 N 2.64 0.82 -0.85 1.54 -0.02 -1.26 0.49 135.00 138.36 3i1n n PRO 38 Ca -0.14 0.29 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 3i1n n PRO 38 Cb 0.56 -1.72 -0.10 0.00 -0.02 0.00 0.00 33.50 32.21 3i1n n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1n n ALA 39 N 1.29 5.50 0.18 3.55 0.00 -1.26 -4.58 120.51 125.18 3i1n n ALA 39 Ca 0.16 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.79 3i1n n ALA 39 Cb 0.22 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.12 3i1n n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1n n THR 40 N 2.96 0.00 0.00 0.00 -2.24 -1.26 -4.63 114.28 109.11 3i1n n THR 40 Ca 0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 3i1n n THR 40 Cb 0.57 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3i1n n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i1n n LYS 41 N 0.30 0.00 -0.34 -0.78 5.02 -1.26 -4.07 118.16 117.02 3i1n n LYS 41 Ca 0.00 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.50 3i1n n LYS 41 Cb 0.03 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.48 3i1n n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i1n h LYS 42 N 0.00 0.45 0.21 1.97 3.64 -1.97 -2.73 116.57 118.13 3i1n h LYS 42 Ca 0.00 -0.03 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 3i1n h LYS 42 Cb 0.00 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3i1n h LYS 42 CO 0.00 0.30 -1.66 -0.91 -2.27 0.00 0.00 179.45 174.90 3i1n h ASN 43 N 0.46 0.68 0.00 4.20 -0.26 -1.87 -3.06 115.58 115.73 3i1n h ASN 43 Ca 0.68 -0.91 0.00 0.00 -0.56 0.00 0.00 56.30 55.51 3i1n h ASN 43 Cb 1.45 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 3i1n h ASN 43 CO -0.51 1.75 0.02 2.30 -1.06 0.00 0.00 177.43 179.93 3i1n n ILE 44 N -3.63 0.49 -0.04 2.81 -5.35 -1.03 0.54 119.36 113.15 3i1n n ILE 44 Ca -0.22 0.14 -0.06 0.00 -0.27 0.00 0.00 62.75 62.35 3i1n n ILE 44 Cb 1.09 -1.14 -0.04 0.00 -1.74 0.00 0.00 39.64 37.81 3i1n n ILE 44 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3i1n n GLU 45 N -1.08 0.32 -0.13 6.28 1.02 -1.24 -3.81 120.64 122.01 3i1n n GLU 45 Ca 0.00 0.04 0.24 0.00 -0.02 0.00 0.00 57.16 57.43 3i1n n GLU 45 Cb 0.02 -1.16 0.68 0.00 -0.02 0.00 0.00 31.44 30.96 3i1n n GLU 45 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3i1n h PHE 46 N 0.00 0.08 -0.05 -0.32 -0.00 0.20 2.62 116.94 119.47 3i1n h PHE 46 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.78 3i1n h PHE 46 Cb 1.29 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 37.20 3i1n h PHE 46 CO 0.01 0.02 -0.18 1.19 -0.00 0.00 0.00 178.31 179.35 3i1n n PHE 47 N -4.34 0.16 0.00 0.41 3.72 0.16 -4.36 117.46 113.22 3i1n n PHE 47 Ca 0.16 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.35 3i1n n PHE 47 Cb 0.80 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 3i1n n PHE 47 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3i1n n GLU 48 N -1.23 3.04 0.01 -1.08 0.00 0.56 -4.49 120.64 117.45 3i1n n GLU 48 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.42 3i1n n GLU 48 Cb 0.71 -0.63 0.33 0.00 0.00 0.00 0.00 31.44 31.85 3i1n n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1n n ALA 49 N -0.84 1.67 -0.06 4.31 0.00 0.85 -2.44 120.51 124.00 3i1n n ALA 49 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 3i1n n ALA 49 Cb 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.07 3i1n n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1n n ARG 50 N -1.57 0.66 0.00 0.00 1.74 -1.26 -1.99 116.66 114.24 3i1n n ARG 50 Ca 0.03 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3i1n n ARG 50 Cb 0.18 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3i1n n ARG 50 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i1n n ARG 51 N -3.93 0.00 -0.00 5.56 1.74 -1.02 -2.37 116.66 116.64 3i1n n ARG 51 Ca -0.35 0.27 -0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3i1n n ARG 51 Cb 0.88 -1.52 -0.00 0.00 -1.02 0.00 0.00 32.46 30.79 3i1n n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1n n ALA 52 N -1.25 2.67 -1.18 7.54 0.00 -1.17 -4.26 120.51 122.86 3i1n n ALA 52 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 3i1n n ALA 52 Cb 0.02 0.50 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 3i1n n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1n n GLU 53 N -2.85 2.80 0.00 0.00 2.13 -0.84 -2.53 120.64 119.34 3i1n n GLU 53 Ca -0.01 -1.62 0.00 0.00 0.66 0.00 0.00 57.16 56.20 3i1n n GLU 53 Cb 0.50 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.86 3i1n n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3i1n n LEU 54 N 2.86 0.00 0.00 4.31 -0.00 -1.04 -4.69 117.00 118.44 3i1n n LEU 54 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.60 3i1n n LEU 54 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 3i1n n LEU 54 CO 0.45 0.00 0.38 -0.62 -0.00 0.00 0.00 177.39 177.60 3i1n n GLU 55 N -0.26 0.00 0.00 1.96 1.02 -1.25 0.04 120.64 122.15 3i1n n GLU 55 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3i1n n GLU 55 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3i1n n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1n n ALA 56 N -1.23 0.38 -0.04 0.62 0.00 -1.21 -4.70 120.51 114.33 3i1n n ALA 56 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 3i1n n ALA 56 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3i1n n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1n n LYS 57 N -0.07 0.28 0.00 0.00 3.00 0.69 -4.41 118.16 117.65 3i1n n LYS 57 Ca 0.00 0.11 0.16 0.00 -0.00 0.00 0.00 58.31 58.58 3i1n n LYS 57 Cb 0.12 -0.95 0.87 0.00 0.00 0.00 0.00 35.03 35.07 3i1n n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3i1n n LEU 58 N -3.71 0.16 -0.73 3.14 4.77 0.11 -0.98 117.00 119.76 3i1n n LEU 58 Ca -0.07 -0.01 0.13 0.00 -0.03 0.00 0.00 56.01 56.02 3i1n n LEU 58 Cb 0.27 -0.05 0.23 0.00 -2.33 0.00 0.00 43.42 41.54 3i1n n LEU 58 CO 0.11 0.03 0.66 0.00 -1.33 0.00 0.00 177.39 176.86 3i1n n ALA 59 N -0.93 2.65 -0.02 -1.18 0.00 -0.89 -3.94 120.51 116.20 3i1n n ALA 59 Ca 0.22 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 3i1n n ALA 59 Cb 0.16 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 3i1n n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1n n GLU 60 N 0.75 2.19 0.26 0.00 2.13 -0.80 -4.47 120.64 120.69 3i1n n GLU 60 Ca 0.15 -0.02 0.17 0.00 0.66 0.00 0.00 57.16 58.12 3i1n n GLU 60 Cb 0.50 -1.14 0.89 0.00 0.27 0.00 0.00 31.44 31.97 3i1n n GLU 60 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i1n h VAL 61 N 0.00 0.00 -0.35 6.31 2.07 -1.19 -0.88 116.25 122.22 3i1n h VAL 61 Ca -0.10 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 3i1n h VAL 61 Cb 1.00 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3i1n h VAL 61 CO 0.01 0.00 -0.32 0.17 0.02 0.00 0.00 177.57 177.45 3i1n h LEU 62 N 0.00 0.79 -8.04 2.57 8.10 -1.78 -3.39 115.31 113.56 3i1n h LEU 62 Ca 0.00 -0.33 -0.65 0.00 0.11 0.00 0.00 57.88 57.02 3i1n h LEU 62 Cb 0.09 -0.22 -0.14 0.00 -0.44 0.00 0.00 40.66 39.95 3i1n h LEU 62 CO 0.00 1.05 1.16 0.00 -4.11 0.00 0.00 178.44 176.54 3i1n s ALA 63 N -4.45 3.04 0.00 0.17 0.00 -0.33 -4.38 121.76 115.81 3i1n s ALA 63 Ca -0.09 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.35 3i1n s ALA 63 Cb 0.12 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.96 3i1n s ALA 63 CO 0.85 -3.30 0.00 0.00 0.00 0.00 0.00 175.76 173.31 3i1n n ALA 64 N 7.70 0.00 -3.31 0.00 0.00 -1.26 -4.93 120.51 118.70 3i1n n ALA 64 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.47 3i1n n ALA 64 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 3i1n n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n ALA 65 N 0.00 2.93 -1.66 0.00 0.00 -1.26 -5.09 120.51 115.43 3i1n n ALA 65 Ca 0.00 -3.74 -0.52 0.00 0.00 0.00 0.00 53.44 49.18 3i1n n ALA 65 Cb 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 3i1n n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1n n ASN 66 N 1.52 2.44 0.00 0.00 5.15 -1.26 0.34 115.26 123.45 3i1n n ASN 66 Ca 0.24 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.30 3i1n n ASN 66 Cb 0.48 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 3i1n n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i1n n ALA 67 N 4.27 0.00 0.00 5.20 0.00 -1.26 -3.57 120.51 125.15 3i1n n ALA 67 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i1n n ALA 67 Cb 0.21 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3i1n n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1n n ARG 68 N -2.00 0.00 -2.43 0.00 0.00 0.15 -4.08 116.66 108.30 3i1n n ARG 68 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 3i1n n ARG 68 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 32.46 31.30 3i1n n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1n s ALA 69 N 0.00 2.45 0.00 5.13 0.00 -1.23 -4.86 121.76 123.25 3i1n s ALA 69 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.96 3i1n s ALA 69 Cb 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.61 3i1n s ALA 69 CO 0.00 -3.89 0.00 0.39 0.00 0.00 0.00 175.76 172.26 3i1n n GLU 70 N 8.92 0.00 -0.06 0.00 1.02 -1.26 -4.67 120.64 124.59 3i1n n GLU 70 Ca 0.33 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.50 3i1n n GLU 70 Cb 0.50 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 32.06 3i1n n GLU 70 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i1n n LYS 71 N 0.00 1.29 -0.89 3.49 2.85 -1.26 -3.58 118.16 120.06 3i1n n LYS 71 Ca 0.00 -0.44 -0.18 0.00 -1.05 0.00 0.00 58.31 56.64 3i1n n LYS 71 Cb 0.00 -1.14 0.11 0.00 -0.65 0.00 0.00 35.03 33.35 3i1n n LYS 71 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 3i1n n ILE 72 N -0.18 2.63 1.49 0.58 3.06 -1.26 -4.41 119.36 121.27 3i1n n ILE 72 Ca 0.06 -1.49 0.04 0.00 -2.50 0.00 0.00 62.75 58.87 3i1n n ILE 72 Cb 0.12 -0.77 0.16 0.00 0.54 0.00 0.00 39.64 39.69 3i1n n ILE 72 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 3i1n n ASN 73 N -0.53 0.90 -2.38 9.51 0.23 -1.23 -3.67 115.26 118.09 3i1n n ASN 73 Ca 0.41 -1.90 -0.14 0.00 -0.53 0.00 0.00 54.58 52.42 3i1n n ASN 73 Cb 1.16 -0.10 0.03 0.00 -2.08 0.00 0.00 39.78 38.79 3i1n n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i1n n ALA 74 N -0.05 3.97 -1.00 -2.53 0.00 -1.26 -5.12 120.51 114.52 3i1n n ALA 74 Ca 0.08 -3.35 0.07 0.00 0.00 0.00 0.00 53.44 50.24 3i1n n ALA 74 Cb 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3i1n n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1n n LEU 75 N -0.65 0.00 -4.19 0.00 4.32 -1.24 -4.92 117.00 110.31 3i1n n LEU 75 Ca 0.28 0.59 -0.18 0.00 -0.02 0.00 0.00 56.01 56.68 3i1n n LEU 75 Cb 0.89 -1.70 -0.12 0.00 -1.62 0.00 0.00 43.42 40.88 3i1n n LEU 75 CO 0.26 -1.75 -0.45 -0.70 -1.22 0.00 0.00 177.39 173.52 3i1n s GLU 76 N -0.92 0.88 0.21 3.23 2.56 -1.26 -4.92 118.70 118.48 3i1n s GLU 76 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 54.97 53.61 3i1n s GLU 76 Cb 0.00 -0.84 -0.14 0.00 2.00 0.00 0.00 34.13 35.15 3i1n s GLU 76 CO 0.00 0.18 1.40 2.41 -0.56 0.00 0.00 175.26 178.69 3i1n n THR 77 N 1.05 0.74 -2.94 -1.70 -1.04 -1.26 -4.88 114.28 104.24 3i1n n THR 77 Ca -0.19 -0.18 -0.44 0.00 -2.04 0.00 0.00 64.05 61.19 3i1n n THR 77 Cb 0.55 -1.38 -0.02 0.00 -1.82 0.00 0.00 70.33 67.66 3i1n n THR 77 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1n s VAL 78 N 0.11 4.82 0.12 12.58 -7.23 -1.26 -4.55 120.40 124.99 3i1n s VAL 78 Ca 0.71 -1.83 -0.24 0.00 -1.81 0.00 0.00 61.98 58.82 3i1n s VAL 78 Cb -0.69 -4.80 -0.05 0.00 0.56 0.00 0.00 36.38 31.40 3i1n s VAL 78 CO 0.48 -1.52 1.66 0.74 -0.31 0.00 0.00 175.10 176.15 3i1n h THR 79 N 5.56 0.57 0.00 5.32 2.02 -1.83 -3.45 112.91 121.10 3i1n h THR 79 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 3i1n h THR 79 Cb 0.99 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3i1n h THR 79 CO 1.12 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 176.63 3i1n n ILE 80 N -5.31 0.00 0.00 3.11 2.08 -1.26 -5.03 119.36 112.95 3i1n n ILE 80 Ca -0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.27 3i1n n ILE 80 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 3i1n n ILE 80 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1n n ALA 81 N -3.00 0.00 -1.94 -1.39 0.00 -1.23 -4.41 120.51 108.54 3i1n n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1n n ALA 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1n n SER 82 N 0.00 0.00 0.00 0.00 3.41 -1.26 -2.62 113.62 113.15 3i1n n SER 82 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 3i1n n SER 82 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i1n n SER 82 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i1n n LYS 83 N 0.00 0.00 0.00 4.33 4.01 -1.26 -4.83 118.16 120.41 3i1n n LYS 83 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i1n n LYS 83 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.98 3i1n n LYS 83 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1n n ALA 84 N 0.45 0.00 0.00 7.82 0.00 -1.26 -4.90 120.51 122.63 3i1n n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1n n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 85 N 0.00 -0.14 3.53 0.00 0.00 -1.23 -2.63 105.19 104.71 3i1n n GLY 85 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 3i1n n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1n n ASP 86 N 0.00 0.33 -3.31 1.61 8.00 -1.26 -2.59 116.55 119.34 3i1n n ASP 86 Ca 0.00 -0.71 -0.08 0.00 0.71 0.00 0.00 54.79 54.71 3i1n n ASP 86 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 3i1n n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i1n n GLU 87 N -2.99 -0.61 0.00 -1.24 1.02 -1.26 -0.99 120.64 114.57 3i1n n GLU 87 Ca -0.17 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 3i1n n GLU 87 Cb 0.38 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 3i1n n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i1n n GLY 88 N -0.98 3.29 0.00 0.62 0.00 -1.07 -5.07 105.19 101.99 3i1n n GLY 88 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3i1n n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1n n LYS 89 N 0.00 2.57 -4.44 1.61 4.81 -0.16 -4.92 118.16 117.62 3i1n n LYS 89 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 3i1n n LYS 89 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 3i1n n LYS 89 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i1n s LEU 90 N 0.00 2.57 0.00 3.14 1.02 -1.26 -3.57 118.68 120.58 3i1n s LEU 90 Ca 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 54.13 53.14 3i1n s LEU 90 Cb 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 46.19 45.19 3i1n s LEU 90 CO 0.00 0.01 0.00 0.33 0.02 0.00 0.00 176.35 176.71 3i1n n PHE 91 N -0.50 -0.63 -2.10 0.29 -0.00 -1.25 -4.17 117.46 109.10 3i1n n PHE 91 Ca -0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.07 3i1n n PHE 91 Cb 0.60 0.25 -0.01 0.00 -0.00 0.00 0.00 39.48 40.31 3i1n n PHE 91 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3i1n s GLY 92 N -2.70 1.83 0.45 7.13 0.00 -1.08 -4.99 107.32 107.95 3i1n s GLY 92 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.80 3i1n s GLY 92 CO 0.00 0.30 0.07 -1.35 0.00 0.00 0.00 173.10 172.11 3i1n s SER 93 N -3.71 4.11 -0.56 1.64 1.04 -1.26 -4.85 113.70 110.10 3i1n s SER 93 Ca 0.57 -1.38 -0.22 0.00 0.48 0.00 0.00 55.95 55.40 3i1n s SER 93 Cb -0.11 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 65.95 3i1n s SER 93 CO 0.44 -0.62 0.85 -0.63 0.98 0.00 0.00 173.24 174.27 3i1n s ILE 94 N -2.74 4.52 1.04 -1.02 -1.09 -1.26 -5.03 121.20 115.62 3i1n s ILE 94 Ca 0.28 -0.11 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 3i1n s ILE 94 Cb 0.06 -4.50 0.03 0.00 -1.58 0.00 0.00 42.46 36.47 3i1n s ILE 94 CO 0.15 -1.10 -0.06 0.61 -1.23 0.00 0.00 174.94 173.31 3i1n n GLY 95 N 5.18 -2.56 0.19 6.18 0.00 -1.26 -4.68 105.19 108.24 3i1n n GLY 95 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3i1n n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i1n n THR 96 N -3.86 0.00 -2.80 2.61 5.66 -1.26 -2.44 114.28 112.19 3i1n n THR 96 Ca 0.02 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.93 3i1n n THR 96 Cb 0.60 -0.28 0.04 0.00 -1.55 0.00 0.00 70.33 69.14 3i1n n THR 96 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i1n n ARG 97 N -0.17 0.80 -0.78 1.09 1.74 -1.26 -4.13 116.66 113.95 3i1n n ARG 97 Ca 0.00 -1.91 -0.01 0.00 -0.77 0.00 0.00 57.85 55.15 3i1n n ARG 97 Cb 0.03 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 3i1n n ARG 97 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i1n n ASP 98 N 1.49 -0.08 -0.01 0.55 2.03 -1.02 -4.82 116.55 114.69 3i1n n ASP 98 Ca 0.10 -1.63 0.09 0.00 0.52 0.00 0.00 54.79 53.86 3i1n n ASP 98 Cb 0.63 -0.02 -0.10 0.00 -0.72 0.00 0.00 41.12 40.90 3i1n n ASP 98 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3i1n n ILE 99 N 0.08 0.00 -0.06 5.18 2.08 -1.26 -4.51 119.36 120.86 3i1n n ILE 99 Ca -0.06 -0.08 -0.12 0.00 0.56 0.00 0.00 62.75 63.05 3i1n n ILE 99 Cb 0.70 1.00 -0.11 0.00 -0.75 0.00 0.00 39.64 40.48 3i1n n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1n h ALA 100 N 2.56 -0.00 0.00 -1.39 0.00 -1.87 -3.40 119.26 115.15 3i1n h ALA 100 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i1n h ALA 100 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i1n h ALA 100 CO 0.00 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 178.84 3i1n n ASP 101 N -4.64 0.00 0.00 0.00 3.85 -1.26 0.12 116.55 114.61 3i1n n ASP 101 Ca -0.09 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.99 3i1n n ASP 101 Cb 0.41 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 3i1n n ASP 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1n n ALA 102 N -2.69 -0.13 -0.75 2.12 0.00 -1.08 -3.71 120.51 114.28 3i1n n ALA 102 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3i1n n ALA 102 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3i1n n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1n n VAL 103 N -1.58 2.34 0.93 0.00 0.24 0.69 -3.27 118.33 117.68 3i1n n VAL 103 Ca 0.00 -1.25 0.12 0.00 -2.04 0.00 0.00 64.34 61.17 3i1n n VAL 103 Cb 0.00 -1.97 0.21 0.00 -1.47 0.00 0.00 33.84 30.61 3i1n n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i1n n THR 104 N 3.04 0.13 -0.94 3.34 5.66 0.12 -4.27 114.28 121.36 3i1n n THR 104 Ca 0.37 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 3i1n n THR 104 Cb 0.50 1.15 0.00 0.00 -1.55 0.00 0.00 70.33 70.43 3i1n n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i1n n ALA 105 N 1.14 0.76 -1.00 1.79 0.00 -1.26 -4.94 120.51 117.00 3i1n n ALA 105 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3i1n n ALA 105 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3i1n n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n ALA 106 N -0.02 0.00 -1.00 0.00 0.00 -1.26 -4.97 120.51 113.26 3i1n n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 106 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3i1n n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 107 N 2.75 -2.90 3.85 0.00 0.00 -1.26 -4.94 105.19 102.69 3i1n n GLY 107 Ca 0.00 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 3i1n n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1n s VAL 108 N 0.00 4.96 0.01 1.61 1.01 -1.26 -5.05 120.40 121.68 3i1n s VAL 108 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 3i1n s VAL 108 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3i1n s VAL 108 CO 0.00 0.27 1.00 -1.61 0.00 0.00 0.00 175.10 174.76 3i1n s GLU 109 N -1.90 4.55 0.00 2.72 2.02 -1.26 -5.02 118.70 119.81 3i1n s GLU 109 Ca 0.35 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.79 3i1n s GLU 109 Cb -0.15 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.64 3i1n s GLU 109 CO 0.18 -0.06 0.00 1.33 0.02 0.00 0.00 175.26 176.74 3i1n n VAL 110 N 3.85 0.00 0.00 2.63 0.24 -1.26 -5.15 118.33 118.64 3i1n n VAL 110 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3i1n n VAL 110 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3i1n n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1n n ALA 111 N -3.00 0.00 -2.93 2.33 0.00 -1.26 -5.06 120.51 110.59 3i1n n ALA 111 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3i1n n ALA 111 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3i1n n ALA 111 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i1n s LYS 112 N 0.00 0.87 -0.80 0.00 -0.14 -1.26 -4.94 119.74 113.47 3i1n s LYS 112 Ca 0.00 -0.62 0.02 0.00 -1.36 0.00 0.00 55.97 54.01 3i1n s LYS 112 Cb 0.00 0.38 0.30 0.00 -1.68 0.00 0.00 37.83 36.82 3i1n s LYS 112 CO 0.00 -0.30 1.14 -1.13 -0.76 0.00 0.00 175.35 174.31 3i1n n SER 113 N 0.30 5.15 -3.50 2.83 3.41 -1.26 -4.90 113.62 115.65 3i1n n SER 113 Ca -0.17 -3.53 -0.37 0.00 -0.26 0.00 0.00 58.87 54.53 3i1n n SER 113 Cb 0.61 -0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 3i1n n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i1n n GLU 114 N 0.59 1.77 -1.64 4.33 1.02 -1.26 -4.94 120.64 120.52 3i1n n GLU 114 Ca 0.32 -1.79 -0.44 0.00 -0.02 0.00 0.00 57.16 55.22 3i1n n GLU 114 Cb 0.36 -2.81 -0.02 0.00 -0.02 0.00 0.00 31.44 28.95 3i1n n GLU 114 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3i1n n VAL 115 N 5.42 1.74 -0.02 2.62 0.24 -1.26 -4.50 118.33 122.58 3i1n n VAL 115 Ca 0.49 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 3i1n n VAL 115 Cb 0.33 -1.25 -0.03 0.00 -1.47 0.00 0.00 33.84 31.41 3i1n n VAL 115 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i1n n ARG 116 N 0.95 1.85 -3.49 7.34 0.63 -1.26 -4.91 116.66 117.77 3i1n n ARG 116 Ca 0.09 0.01 -0.43 0.00 -0.92 0.00 0.00 57.85 56.60 3i1n n ARG 116 Cb 0.33 -1.11 -0.05 0.00 0.45 0.00 0.00 32.46 32.07 3i1n n ARG 116 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i1n s LEU 117 N -4.78 6.09 0.00 6.15 1.43 -1.26 -4.96 118.68 121.35 3i1n s LEU 117 Ca -0.05 -2.66 -0.01 0.00 -1.03 0.00 0.00 54.13 50.38 3i1n s LEU 117 Cb 0.02 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 3i1n s LEU 117 CO 0.16 -0.52 1.24 -0.81 0.23 0.00 0.00 176.35 176.65 3i1n n PRO 118 N 3.91 0.57 -4.35 1.29 -0.04 -1.26 -4.70 135.00 130.41 3i1n n PRO 118 Ca 0.09 -0.20 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 3i1n n PRO 118 Cb 0.43 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3i1n n PRO 118 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3i1n s ASN 119 N 2.34 4.39 0.00 3.54 2.47 -1.26 -4.99 114.94 121.42 3i1n s ASN 119 Ca 0.13 -1.51 0.00 0.00 0.42 0.00 0.00 52.86 51.91 3i1n s ASN 119 Cb 0.06 0.62 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 3i1n s ASN 119 CO 0.00 -1.05 0.41 0.61 -3.72 0.00 0.00 177.10 173.36 3i1n n GLY 120 N -1.56 1.05 3.05 1.21 0.00 -1.26 -4.92 105.19 102.76 3i1n n GLY 120 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i1n n GLY 120 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1n n VAL 121 N 0.08 -2.11 -1.49 1.61 0.24 -1.26 -4.76 118.33 110.63 3i1n n VAL 121 Ca 0.00 0.28 -0.50 0.00 -2.04 0.00 0.00 64.34 62.08 3i1n n VAL 121 Cb 0.18 -2.90 -0.04 0.00 -1.47 0.00 0.00 33.84 29.61 3i1n n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3i1n n LEU 122 N 2.33 0.09 -4.15 1.34 4.32 -1.26 -4.93 117.00 114.74 3i1n n LEU 122 Ca -0.03 1.15 -0.38 0.00 -0.02 0.00 0.00 56.01 56.72 3i1n n LEU 122 Cb 0.10 -1.05 -0.06 0.00 -1.62 0.00 0.00 43.42 40.79 3i1n n LEU 122 CO 0.03 -2.13 0.28 -0.13 -1.22 0.00 0.00 177.39 174.23 3i1n s ARG 123 N -0.66 3.15 0.00 3.23 0.52 -1.26 -5.00 118.95 118.93 3i1n s ARG 123 Ca 0.72 -2.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.02 3i1n s ARG 123 Cb -0.97 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 30.52 3i1n s ARG 123 CO 0.56 -1.23 0.00 0.25 0.02 0.00 0.00 175.30 174.89 3i1n n THR 124 N 2.98 0.00 -0.03 0.02 -2.24 -1.26 -4.38 114.28 109.36 3i1n n THR 124 Ca 0.16 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 3i1n n THR 124 Cb 0.39 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 3i1n n THR 124 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3i1n n THR 125 N 0.00 -0.06 0.00 4.28 5.66 -1.26 -4.82 114.28 118.08 3i1n n THR 125 Ca 0.00 0.74 0.00 0.00 -3.05 0.00 0.00 64.05 61.74 3i1n n THR 125 Cb 0.00 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 3i1n n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1n n GLY 126 N -1.02 1.09 3.67 1.09 0.00 -1.26 -5.03 105.19 103.74 3i1n n GLY 126 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3i1n n GLY 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i1n s GLU 127 N 0.00 4.18 0.03 1.61 -1.05 -1.23 -4.75 118.70 117.49 3i1n s GLU 127 Ca 0.00 2.31 -0.06 0.00 -0.15 0.00 0.00 54.97 57.07 3i1n s GLU 127 Cb 0.00 -3.85 -0.01 0.00 -0.44 0.00 0.00 34.13 29.83 3i1n s GLU 127 CO 0.00 -0.81 0.11 -1.01 0.95 0.00 0.00 175.26 174.50 3i1n s HIS 128 N 3.52 0.15 -0.44 4.83 3.76 -1.26 -4.91 115.29 120.93 3i1n s HIS 128 Ca 0.76 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 55.31 3i1n s HIS 128 Cb -0.37 -0.11 0.14 0.00 1.11 0.00 0.00 32.58 33.35 3i1n s HIS 128 CO 0.32 -0.34 0.25 -1.21 -0.85 0.00 0.00 174.74 172.92 3i1n s GLU 129 N -2.22 1.23 0.00 1.40 2.02 -1.26 -4.57 118.70 115.29 3i1n s GLU 129 Ca -0.08 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 52.92 3i1n s GLU 129 Cb -0.03 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.00 3i1n s GLU 129 CO -0.03 -1.19 0.00 1.33 0.02 0.00 0.00 175.26 175.40 3i1n n VAL 130 N 3.49 0.00 0.05 2.63 0.24 -1.26 -5.06 118.33 118.41 3i1n n VAL 130 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3i1n n VAL 130 Cb 0.36 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 3i1n n VAL 130 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i1n n SER 131 N -0.93 -0.96 -1.05 -1.34 3.41 -1.26 -4.92 113.62 106.56 3i1n n SER 131 Ca 0.00 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 3i1n n SER 131 Cb 0.00 1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 65.08 3i1n n SER 131 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3i1n n PHE 132 N -2.91 -2.84 -2.63 7.33 7.35 -1.26 -3.83 117.46 118.67 3i1n n PHE 132 Ca 0.00 1.57 -0.42 0.00 -0.76 0.00 0.00 57.45 57.84 3i1n n PHE 132 Cb 0.00 -2.58 -0.03 0.00 0.35 0.00 0.00 39.48 37.22 3i1n n PHE 132 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3i1n s GLN 133 N -4.01 3.23 -0.13 -4.13 2.00 -1.26 -4.74 119.66 110.61 3i1n s GLN 133 Ca 0.00 -0.52 0.19 0.00 -2.00 0.00 0.00 55.36 53.03 3i1n s GLN 133 Cb 0.00 -4.34 -0.28 0.00 0.80 0.00 0.00 33.01 29.19 3i1n s GLN 133 CO 0.00 -2.07 0.23 1.33 -0.50 0.00 0.00 175.29 174.28 3i1n n VAL 134 N 6.31 0.90 -4.02 1.34 0.24 -1.26 -5.07 118.33 116.76 3i1n n VAL 134 Ca 0.05 -0.73 0.04 0.00 -2.04 0.00 0.00 64.34 61.66 3i1n n VAL 134 Cb 0.48 -0.31 0.01 0.00 -1.47 0.00 0.00 33.84 32.56 3i1n n VAL 134 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3i1n n HIS 135 N -2.58 -0.20 1.22 6.34 -0.00 -1.26 -4.99 115.22 113.75 3i1n n HIS 135 Ca -0.22 -0.58 0.00 0.00 -0.00 0.00 0.00 57.72 56.92 3i1n n HIS 135 Cb 0.94 0.26 0.00 0.00 -0.00 0.00 0.00 29.99 31.19 3i1n n HIS 135 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3i1n n SER 136 N -0.99 0.12 0.10 0.41 3.41 -1.26 -4.30 113.62 111.11 3i1n n SER 136 Ca 0.05 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 3i1n n SER 136 Cb 0.55 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3i1n n SER 136 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i1n n GLU 137 N -0.39 0.00 -0.36 4.33 4.07 -1.26 -5.16 120.64 121.88 3i1n n GLU 137 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 3i1n n GLU 137 Cb 0.03 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.50 3i1n n GLU 137 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3i1n n VAL 138 N -3.01 0.00 -2.28 6.31 0.24 -1.26 -5.09 118.33 113.24 3i1n n VAL 138 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3i1n n VAL 138 Cb 0.00 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.32 3i1n n VAL 138 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3i1n n PHE 139 N -3.36 0.00 -3.56 6.34 3.01 -1.26 -4.41 117.46 114.23 3i1n n PHE 139 Ca 0.05 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.45 3i1n n PHE 139 Cb 0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 3i1n n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1n s ALA 140 N -1.90 -1.90 -0.03 4.37 0.00 -1.25 -4.29 121.76 116.76 3i1n s ALA 140 Ca 0.00 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 3i1n s ALA 140 Cb 0.00 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.43 3i1n s ALA 140 CO 0.00 -0.71 0.05 -1.59 0.00 0.00 0.00 175.76 173.51 3i1n s LYS 141 N -2.89 -0.05 0.15 0.00 -2.85 -1.26 -4.51 119.74 108.32 3i1n s LYS 141 Ca 0.07 0.27 -0.02 0.00 -1.00 0.00 0.00 55.97 55.30 3i1n s LYS 141 Cb -0.01 -0.35 0.01 0.00 -2.06 0.00 0.00 37.83 35.42 3i1n s LYS 141 CO -0.06 -0.24 0.23 1.33 0.10 0.00 0.00 175.35 176.71 3i1n n VAL 142 N 4.65 0.00 -3.91 1.79 0.24 -1.26 -4.31 118.33 115.52 3i1n n VAL 142 Ca -0.18 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 3i1n n VAL 142 Cb 0.50 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 3i1n n VAL 142 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i1n n ILE 143 N -0.23 0.00 -3.57 1.34 -6.64 -1.26 -4.49 119.36 104.51 3i1n n ILE 143 Ca -0.01 0.00 -0.19 0.00 -1.77 0.00 0.00 62.75 60.78 3i1n n ILE 143 Cb 0.24 0.00 -0.14 0.00 -1.44 0.00 0.00 39.64 38.30 3i1n n ILE 143 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 3i1n s VAL 144 N -1.29 -0.27 -0.23 7.28 1.01 -1.26 -4.90 120.40 120.74 3i1n s VAL 144 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3i1n s VAL 144 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 3i1n s VAL 144 CO 0.00 -0.11 0.15 0.21 0.00 0.00 0.00 175.10 175.34 3i1n s ASN 145 N 2.29 6.09 1.13 3.32 2.47 -1.26 -3.48 114.94 125.50 3i1n s ASN 145 Ca 0.05 0.13 -0.12 0.00 0.42 0.00 0.00 52.86 53.33 3i1n s ASN 145 Cb -0.15 -2.09 0.18 0.00 -1.45 0.00 0.00 41.25 37.75 3i1n s ASN 145 CO -0.10 0.10 0.70 1.33 -3.72 0.00 0.00 177.10 175.41 3i1n n VAL 146 N 4.07 0.00 -4.10 -5.21 0.24 -1.26 -3.55 118.33 108.51 3i1n n VAL 146 Ca -0.15 -0.34 -0.26 0.00 -2.04 0.00 0.00 64.34 61.55 3i1n n VAL 146 Cb 0.52 -1.22 -0.17 0.00 -1.47 0.00 0.00 33.84 31.50 3i1n n VAL 146 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i1n s VAL 147 N -2.31 0.99 -1.13 3.34 1.01 -1.26 -4.74 120.40 116.30 3i1n s VAL 147 Ca 0.44 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 3i1n s VAL 147 Cb -0.04 -0.98 0.26 0.00 0.00 0.00 0.00 36.38 35.62 3i1n s VAL 147 CO 0.34 0.35 1.17 0.00 0.00 0.00 0.00 175.10 176.96 3i1n s ALA 148 N 1.38 4.60 0.00 5.51 0.00 -1.26 -5.03 121.76 126.96 3i1n s ALA 148 Ca -0.02 -3.75 0.00 0.00 0.00 0.00 0.00 51.96 48.19 3i1n s ALA 148 Cb -0.14 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3i1n s ALA 148 CO -0.04 -2.31 0.00 -0.85 0.00 0.00 0.00 175.76 172.56