#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b n LYS 11 N 0.00 0.57 0.00 -0.78 2.85 -1.26 -5.00 118.16 114.55 3d5b n LYS 11 Ca 0.00 -1.65 0.00 0.00 -1.05 0.00 0.00 58.31 55.61 3d5b n LYS 11 Cb 0.00 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 3d5b n LYS 11 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3d5b n ASN 12 N 2.16 0.00 -3.73 -5.58 3.02 -1.26 -5.02 115.26 104.85 3d5b n ASN 12 Ca 0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.26 3d5b n ASN 12 Cb 0.61 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.71 3d5b n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d5b n GLY 13 N 0.00 1.69 3.06 7.41 0.00 -1.26 -4.83 105.19 111.26 3d5b n GLY 13 Ca 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3d5b n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5b s ARG 14 N 5.88 0.52 0.00 1.61 0.52 -1.26 -5.15 118.95 121.07 3d5b s ARG 14 Ca 0.63 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.94 3d5b s ARG 14 Cb 0.12 -0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.56 3d5b s ARG 14 CO 0.19 -0.03 0.00 -3.47 0.02 0.00 0.00 175.30 172.01 3d5b n ASP 15 N 0.97 0.00 -4.71 0.23 4.64 -1.26 -5.14 116.55 111.28 3d5b n ASP 15 Ca -0.20 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 52.79 3d5b n ASP 15 Cb 0.57 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.62 3d5b n ASP 15 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 3d5b s SER 16 N 0.00 7.08 1.06 1.67 1.04 -1.26 -4.99 113.70 118.30 3d5b s SER 16 Ca 0.00 1.98 -0.17 0.00 0.48 0.00 0.00 55.95 58.25 3d5b s SER 16 Cb 0.00 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.62 3d5b s SER 16 CO 0.00 -0.48 0.12 0.00 0.98 0.00 0.00 173.24 173.87 3d5b n GLN 17 N 4.09 -1.09 -1.83 4.02 10.64 -1.26 -4.82 117.38 127.13 3d5b n GLN 17 Ca 0.09 -0.29 -0.42 0.00 -1.83 0.00 0.00 57.00 54.55 3d5b n GLN 17 Cb 0.46 -1.74 -0.03 0.00 -0.86 0.00 0.00 30.24 28.08 3d5b n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3d5b s ALA 18 N -2.29 3.85 -0.20 2.61 0.00 -1.26 -4.90 121.76 119.57 3d5b s ALA 18 Ca 0.56 1.49 0.21 0.00 0.00 0.00 0.00 51.96 54.22 3d5b s ALA 18 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 3d5b s ALA 18 CO 0.67 -0.86 0.97 1.63 0.00 0.00 0.00 175.76 178.17 3d5b n LYS 19 N 3.81 0.61 -3.13 0.00 4.76 -1.26 -5.02 118.16 117.93 3d5b n LYS 19 Ca 0.14 0.13 -0.04 0.00 -2.87 0.00 0.00 58.31 55.67 3d5b n LYS 19 Cb 0.37 -1.81 0.01 0.00 -1.84 0.00 0.00 35.03 31.76 3d5b n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3d5b n ARG 20 N -2.70 -1.50 -0.36 1.97 1.74 -1.26 -5.03 116.66 109.52 3d5b n ARG 20 Ca -0.02 1.34 0.00 0.00 -0.77 0.00 0.00 57.85 58.40 3d5b n ARG 20 Cb 0.61 -5.65 0.00 0.00 -1.02 0.00 0.00 32.46 26.40 3d5b n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3d5b n LEU 21 N -2.11 0.00 0.00 0.55 4.32 -1.26 -5.03 117.00 113.47 3d5b n LEU 21 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 3d5b n LEU 21 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 3d5b n LEU 21 CO 0.55 -0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 3d5b n GLY 22 N 5.00 -1.57 3.63 -0.72 0.00 0.08 -4.94 105.19 106.68 3d5b n GLY 22 Ca 0.00 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3d5b n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5b s VAL 23 N 0.00 4.15 -0.14 1.61 1.01 -1.26 -2.60 120.40 123.17 3d5b s VAL 23 Ca 0.00 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 3d5b s VAL 23 Cb 0.00 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 32.00 3d5b s VAL 23 CO 0.00 -0.45 0.27 0.29 0.00 0.00 0.00 175.10 175.21 3d5b n LYS 24 N 7.26 0.74 -4.48 2.72 4.76 -0.79 -4.95 118.16 123.43 3d5b n LYS 24 Ca 0.15 0.24 -0.29 0.00 -2.87 0.00 0.00 58.31 55.53 3d5b n LYS 24 Cb 0.46 -1.68 -0.13 0.00 -1.84 0.00 0.00 35.03 31.85 3d5b n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3d5b s ARG 25 N -2.55 1.54 0.26 1.97 3.00 0.17 -4.99 118.95 118.35 3d5b s ARG 25 Ca -0.24 -1.27 0.11 0.00 0.00 0.00 0.00 55.73 54.33 3d5b s ARG 25 Cb 0.07 -1.95 -0.05 0.00 0.00 0.00 0.00 34.95 33.02 3d5b s ARG 25 CO 0.74 0.47 -0.16 0.71 0.00 0.00 0.00 175.30 177.06 3d5b s TYR 26 N -1.02 2.40 0.16 -0.53 1.51 -1.26 -4.88 117.35 113.73 3d5b s TYR 26 Ca 0.14 -0.30 -0.32 0.00 -1.01 0.00 0.00 57.07 55.58 3d5b s TYR 26 Cb -0.10 -1.07 -0.11 0.00 -0.11 0.00 0.00 41.96 40.57 3d5b s TYR 26 CO 0.06 0.65 1.69 -2.00 -1.11 0.00 0.00 175.55 174.84 3d5b s GLU 27 N -3.36 4.16 0.00 -0.62 2.12 -1.26 -2.70 118.70 117.04 3d5b s GLU 27 Ca 0.28 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.12 3d5b s GLU 27 Cb -0.06 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.06 3d5b s GLU 27 CO 0.15 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 3d5b n GLY 28 N 3.97 1.56 3.30 -1.50 0.00 -0.90 -4.97 105.19 106.66 3d5b n GLY 28 Ca 0.16 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3d5b n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d5b s GLN 29 N -1.47 1.71 0.28 1.61 -0.21 -1.10 -4.96 119.66 115.52 3d5b s GLN 29 Ca 0.00 -1.01 -0.28 0.00 0.02 0.00 0.00 55.36 54.08 3d5b s GLN 29 Cb 0.00 -1.82 -0.09 0.00 1.00 0.00 0.00 33.01 32.09 3d5b s GLN 29 CO 0.00 0.48 0.97 0.08 -2.12 0.00 0.00 175.29 174.69 3d5b s VAL 30 N -0.76 4.03 -0.06 1.09 1.01 -1.26 -2.64 120.40 121.81 3d5b s VAL 30 Ca 0.10 1.89 -0.04 0.00 0.00 0.00 0.00 61.98 63.93 3d5b s VAL 30 Cb -0.09 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.17 3d5b s VAL 30 CO 0.01 0.34 0.14 0.68 0.00 0.00 0.00 175.10 176.27 3d5b s VAL 31 N -1.35 -0.02 0.00 2.92 -7.23 -0.16 -4.98 120.40 109.57 3d5b s VAL 31 Ca 0.45 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 3d5b s VAL 31 Cb -0.24 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.48 3d5b s VAL 31 CO 0.30 0.04 0.00 0.54 -0.31 0.00 0.00 175.10 175.67 3d5b n ARG 32 N 3.60 3.20 -3.89 4.82 5.12 -1.26 -2.66 116.66 125.59 3d5b n ARG 32 Ca -0.19 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.43 3d5b n ARG 32 Cb 0.55 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.70 3d5b n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3d5b s ALA 33 N -2.53 1.96 0.00 7.54 0.00 -1.25 -3.99 121.76 123.50 3d5b s ALA 33 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3d5b s ALA 33 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3d5b s ALA 33 CO 0.00 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.79 3d5b n GLY 34 N 4.66 1.07 3.66 0.00 0.00 -0.20 -4.99 105.19 109.38 3d5b n GLY 34 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3d5b n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d5b s ASN 35 N -0.99 6.58 -0.61 1.61 0.01 -1.26 -4.60 114.94 115.68 3d5b s ASN 35 Ca 0.00 2.25 -0.26 0.00 -0.71 0.00 0.00 52.86 54.14 3d5b s ASN 35 Cb 0.00 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 3d5b s ASN 35 CO 0.00 -1.00 2.40 -0.63 -1.51 0.00 0.00 177.10 176.37 3d5b s ILE 36 N 4.30 3.01 0.07 0.60 1.01 -1.26 -1.90 121.20 127.03 3d5b s ILE 36 Ca 0.76 -0.00 -0.32 0.00 0.00 0.00 0.00 60.65 61.09 3d5b s ILE 36 Cb -0.34 -3.03 -0.16 0.00 0.01 0.00 0.00 42.46 38.94 3d5b s ILE 36 CO 0.32 -0.03 1.50 -0.07 0.00 0.00 0.00 174.94 176.65 3d5b h LEU 37 N 20.71 -1.21 -7.25 2.97 3.38 0.61 -3.41 115.31 131.12 3d5b h LEU 37 Ca -0.15 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3d5b h LEU 37 Cb 1.17 0.39 -0.29 0.00 0.09 0.00 0.00 40.66 42.01 3d5b h LEU 37 CO 1.10 -0.62 -0.44 -0.69 0.09 0.00 0.00 178.44 177.89 3d5b s VAL 38 N -5.54 -0.21 -0.21 1.22 1.01 -0.88 0.45 120.40 116.23 3d5b s VAL 38 Ca -0.16 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 3d5b s VAL 38 Cb 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3d5b s VAL 38 CO 0.53 0.07 0.55 -0.13 0.00 0.00 0.00 175.10 176.12 3d5b s ARG 39 N 1.77 4.17 0.24 2.72 0.52 -1.07 -0.99 118.95 126.32 3d5b s ARG 39 Ca -0.06 0.44 0.08 0.00 -0.52 0.00 0.00 55.73 55.68 3d5b s ARG 39 Cb -0.11 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 3d5b s ARG 39 CO -0.10 -0.21 -0.13 1.14 0.02 0.00 0.00 175.30 176.02 3d5b s GLN 40 N 1.85 1.44 0.00 3.54 -2.07 -1.26 -0.74 119.66 122.42 3d5b s GLN 40 Ca 0.25 -1.67 0.00 0.00 -1.82 0.00 0.00 55.36 52.11 3d5b s GLN 40 Cb -0.16 -1.23 0.00 0.00 -1.09 0.00 0.00 33.01 30.53 3d5b s GLN 40 CO 0.10 0.17 0.22 0.54 -1.32 0.00 0.00 175.29 175.00 3d5b n ARG 41 N -0.47 0.00 0.00 9.60 1.74 -1.26 -4.70 116.66 121.57 3d5b n ARG 41 Ca -0.07 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3d5b n ARG 41 Cb 0.61 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 3d5b n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5b n GLY 42 N 1.26 0.56 2.71 -0.13 0.00 -1.26 -4.81 105.19 103.51 3d5b n GLY 42 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3d5b n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3d5b n THR 43 N -0.10 0.30 0.31 2.61 -1.04 -1.26 -4.82 114.28 110.29 3d5b n THR 43 Ca 0.00 -1.56 0.20 0.00 -2.04 0.00 0.00 64.05 60.65 3d5b n THR 43 Cb 0.00 1.05 1.09 0.00 -1.82 0.00 0.00 70.33 70.64 3d5b n THR 43 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3d5b h ARG 44 N 1.57 0.00 -3.74 -2.82 3.08 -1.96 -3.37 114.38 107.15 3d5b h ARG 44 Ca -0.34 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.27 3d5b h ARG 44 Cb 1.29 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.96 3d5b h ARG 44 CO -0.06 0.00 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.01 3d5b s PHE 45 N -4.05 0.68 0.27 3.04 0.40 -1.26 -4.56 117.98 112.51 3d5b s PHE 45 Ca -0.04 -0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.01 3d5b s PHE 45 Cb 0.11 -0.79 -0.07 0.00 0.51 0.00 0.00 43.02 42.79 3d5b s PHE 45 CO 0.36 -0.32 0.60 0.15 0.70 0.00 0.00 175.22 176.71 3d5b s LYS 46 N 1.86 3.79 0.00 0.44 1.02 -0.67 -4.94 119.74 121.24 3d5b s LYS 46 Ca 0.03 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.31 3d5b s LYS 46 Cb -0.12 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 3d5b s LYS 46 CO -0.05 0.23 0.00 -0.35 -0.92 0.00 0.00 175.35 174.26 3d5b n PRO 47 N -0.47 2.80 0.00 -1.68 -0.04 -1.26 -0.78 135.00 133.56 3d5b n PRO 47 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3d5b n PRO 47 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3d5b n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5b n GLY 48 N 0.18 0.19 3.57 0.55 0.00 -1.17 -2.42 105.19 106.10 3d5b n GLY 48 Ca 0.00 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 3d5b n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d5b n LYS 49 N 0.00 1.45 -2.81 1.61 5.02 -1.26 -2.11 118.16 120.07 3d5b n LYS 49 Ca 0.00 0.26 -0.16 0.00 -2.02 0.00 0.00 58.31 56.39 3d5b n LYS 49 Cb 0.00 -3.27 0.03 0.00 -0.02 0.00 0.00 35.03 31.77 3d5b n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3d5b n ASN 50 N 13.58 -4.87 -3.75 4.39 3.02 -1.26 -1.58 115.26 124.79 3d5b n ASN 50 Ca 0.35 -0.21 -0.15 0.00 -0.03 0.00 0.00 54.58 54.53 3d5b n ASN 50 Cb 0.48 -3.73 -0.16 0.00 -0.61 0.00 0.00 39.78 35.76 3d5b n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d5b s VAL 51 N -3.00 -0.07 0.32 2.41 1.01 -0.90 -1.06 120.40 119.11 3d5b s VAL 51 Ca 0.22 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.48 3d5b s VAL 51 Cb -0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 3d5b s VAL 51 CO 0.27 0.10 0.08 -0.83 0.00 0.00 0.00 175.10 174.72 3d5b s GLY 52 N 1.26 2.06 0.31 4.51 0.00 -1.17 -3.04 107.32 111.26 3d5b s GLY 52 Ca -0.07 -1.91 0.03 0.00 0.00 0.00 0.00 44.72 42.77 3d5b s GLY 52 CO -0.04 -1.77 0.08 -3.16 0.00 0.00 0.00 173.10 168.22 3d5b s MET 53 N -3.90 1.60 0.00 2.90 0.23 -1.25 -2.51 119.30 116.36 3d5b s MET 53 Ca 0.35 -1.89 0.00 0.00 -1.03 0.00 0.00 55.69 53.12 3d5b s MET 53 Cb 0.08 -0.60 0.00 0.00 -1.53 0.00 0.00 34.83 32.77 3d5b s MET 53 CO 0.15 -0.27 0.00 0.41 -2.03 0.00 0.00 175.02 173.28 3d5b n GLY 54 N -0.63 5.17 0.22 3.16 0.00 -1.16 -4.91 105.19 107.05 3d5b n GLY 54 Ca -0.02 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 3d5b n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d5b h ARG 55 N 0.00 -0.47 -0.95 1.61 3.08 -2.02 -2.85 114.38 112.77 3d5b h ARG 55 Ca 0.00 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3d5b h ARG 55 Cb 0.00 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3d5b h ARG 55 CO 0.00 -0.19 0.01 -0.40 -1.07 0.00 0.00 179.97 178.31 3d5b n ASP 56 N -5.21 1.67 -1.63 7.04 5.75 -1.26 -4.81 116.55 118.10 3d5b n ASP 56 Ca -0.10 -2.12 -0.16 0.00 -0.01 0.00 0.00 54.79 52.40 3d5b n ASP 56 Cb 0.26 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.80 3d5b n ASP 56 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3d5b n PHE 57 N 0.09 -0.48 -2.12 2.11 3.72 -1.08 -4.51 117.46 115.19 3d5b n PHE 57 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 3d5b n PHE 57 Cb 0.38 -3.14 -0.03 0.00 -0.94 0.00 0.00 39.48 35.75 3d5b n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3d5b s THR 58 N -2.74 3.10 -0.17 4.37 2.01 -1.26 -4.21 115.64 116.74 3d5b s THR 58 Ca 0.00 0.81 -0.10 0.00 0.31 0.00 0.00 61.69 62.71 3d5b s THR 58 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 3d5b s THR 58 CO 0.00 0.08 0.17 -0.76 -0.69 0.00 0.00 174.62 173.42 3d5b s LEU 59 N 0.81 4.25 0.15 4.42 1.43 -0.16 -2.97 118.68 126.62 3d5b s LEU 59 Ca 0.64 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 3d5b s LEU 59 Cb -0.39 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 3d5b s LEU 59 CO 0.33 0.21 0.25 0.72 0.23 0.00 0.00 176.35 178.08 3d5b s PHE 60 N 0.11 0.42 0.13 0.29 -0.12 -1.05 0.12 117.98 117.88 3d5b s PHE 60 Ca 0.11 -0.79 -0.21 0.00 -0.05 0.00 0.00 56.93 55.99 3d5b s PHE 60 Cb -0.12 -0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.09 3d5b s PHE 60 CO 0.01 -0.67 0.66 0.00 -0.05 0.00 0.00 175.22 175.16 3d5b s ALA 61 N -3.96 3.52 -0.88 1.99 0.00 -0.80 -3.02 121.76 118.61 3d5b s ALA 61 Ca 0.16 0.16 0.15 0.00 0.00 0.00 0.00 51.96 52.43 3d5b s ALA 61 Cb 0.04 -2.77 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 3d5b s ALA 61 CO -0.01 0.36 0.67 1.28 0.00 0.00 0.00 175.76 178.05 3d5b n LEU 62 N 1.54 0.93 0.00 0.00 4.77 -0.23 -1.03 117.00 122.97 3d5b n LEU 62 Ca -0.08 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3d5b n LEU 62 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3d5b n LEU 62 CO 0.43 0.21 0.00 1.33 -1.33 0.00 0.00 177.39 178.03 3d5b n VAL 63 N -1.00 0.00 -3.88 4.08 0.24 -1.26 -4.88 118.33 111.63 3d5b n VAL 63 Ca 0.04 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.07 3d5b n VAL 63 Cb 0.25 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.45 3d5b n VAL 63 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3d5b s ASP 64 N 1.00 2.15 0.00 -1.34 1.11 -1.26 -3.83 116.67 114.51 3d5b s ASP 64 Ca 0.00 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.42 3d5b s ASP 64 Cb 0.00 -0.77 0.00 0.00 1.07 0.00 0.00 42.92 43.22 3d5b s ASP 64 CO 0.00 -0.14 0.00 0.61 1.18 0.00 0.00 175.17 176.82 3d5b n GLY 65 N 4.98 -0.86 3.50 0.21 0.00 -1.09 -2.35 105.19 109.57 3d5b n GLY 65 Ca -0.11 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3d5b n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5b s VAL 66 N -2.48 2.88 0.15 1.61 1.01 -1.14 -0.99 120.40 121.44 3d5b s VAL 66 Ca 0.00 -1.53 -0.25 0.00 0.00 0.00 0.00 61.98 60.20 3d5b s VAL 66 Cb 0.00 -2.33 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 3d5b s VAL 66 CO 0.00 0.07 0.76 -0.69 0.00 0.00 0.00 175.10 175.25 3d5b s VAL 67 N -1.22 4.42 0.00 2.92 1.01 -1.08 -0.97 120.40 125.49 3d5b s VAL 67 Ca 0.19 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 3d5b s VAL 67 Cb -0.10 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3d5b s VAL 67 CO 0.11 0.51 0.01 -1.83 0.00 0.00 0.00 175.10 173.90 3d5b s GLU 68 N -1.07 0.17 0.21 2.72 -1.05 -0.28 -2.11 118.70 117.30 3d5b s GLU 68 Ca 0.35 -0.27 0.07 0.00 -0.15 0.00 0.00 54.97 54.98 3d5b s GLU 68 Cb -0.23 0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 33.49 3d5b s GLU 68 CO 0.26 -0.03 0.12 -0.06 0.95 0.00 0.00 175.26 176.50 3d5b s PHE 69 N -0.69 3.03 -0.33 4.83 0.40 -1.26 -0.02 117.98 123.94 3d5b s PHE 69 Ca -0.08 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 3d5b s PHE 69 Cb -0.05 -1.41 0.18 0.00 0.51 0.00 0.00 43.02 42.26 3d5b s PHE 69 CO -0.00 0.53 0.55 -1.14 0.70 0.00 0.00 175.22 175.86 3d5b s GLN 70 N -3.44 0.61 0.08 0.44 0.74 -0.37 -4.95 119.66 112.77 3d5b s GLN 70 Ca 0.31 0.14 -0.31 0.00 0.05 0.00 0.00 55.36 55.55 3d5b s GLN 70 Cb -0.09 0.03 -0.06 0.00 1.10 0.00 0.00 33.01 33.99 3d5b s GLN 70 CO 0.23 -1.10 1.22 0.34 -0.55 0.00 0.00 175.29 175.43 3d5b s ASP 71 N 2.40 7.05 -0.37 6.67 2.15 -1.26 -2.48 116.67 130.83 3d5b s ASP 71 Ca 0.12 2.07 0.13 0.00 0.43 0.00 0.00 52.55 55.30 3d5b s ASP 71 Cb -0.09 -2.58 0.39 0.00 -0.30 0.00 0.00 42.92 40.34 3d5b s ASP 71 CO -0.20 -0.48 0.86 0.54 -0.17 0.00 0.00 175.17 175.71 3d5b n ARG 72 N 3.83 1.40 0.00 4.34 1.74 -0.55 -4.99 116.66 122.43 3d5b n ARG 72 Ca 0.09 -3.54 0.00 0.00 -0.77 0.00 0.00 57.85 53.63 3d5b n ARG 72 Cb 0.46 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3d5b n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5b n GLY 73 N 0.06 0.62 0.40 -0.13 0.00 -1.26 -0.28 105.19 104.59 3d5b n GLY 73 Ca 0.21 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 3d5b n GLY 73 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d5b h ARG 74 N 0.00 -0.29 0.08 1.61 2.47 -2.04 -2.61 114.38 113.59 3d5b h ARG 74 Ca 0.00 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 3d5b h ARG 74 Cb 0.00 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.34 3d5b h ARG 74 CO 0.00 -0.20 -0.51 -0.07 0.56 0.00 0.00 179.97 179.76 3d5b h LEU 75 N -0.30 -1.54 0.00 3.04 3.38 -1.09 -3.48 115.31 115.31 3d5b h LEU 75 Ca 0.14 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3d5b h LEU 75 Cb 0.58 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3d5b h LEU 75 CO -0.61 -0.53 0.00 0.61 0.09 0.00 0.00 178.44 177.99 3d5b n GLY 76 N -1.48 1.58 3.43 0.83 0.00 -0.96 -5.00 105.19 103.59 3d5b n GLY 76 Ca -0.08 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.69 3d5b n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5b s ARG 77 N -1.41 3.87 0.53 1.61 0.52 -1.26 -1.48 118.95 121.32 3d5b s ARG 77 Ca 0.00 -2.35 -0.17 0.00 -0.52 0.00 0.00 55.73 52.69 3d5b s ARG 77 Cb 0.00 -4.88 -0.07 0.00 0.52 0.00 0.00 34.95 30.52 3d5b s ARG 77 CO 0.00 -1.65 1.01 0.71 0.02 0.00 0.00 175.30 175.39 3d5b s TYR 78 N 1.47 3.29 -0.02 -0.53 1.51 -1.03 -1.68 117.35 120.37 3d5b s TYR 78 Ca 0.35 1.49 0.01 0.00 -1.01 0.00 0.00 57.07 57.91 3d5b s TYR 78 Cb -0.05 -2.87 0.02 0.00 -0.11 0.00 0.00 41.96 38.94 3d5b s TYR 78 CO -0.05 -0.58 -0.02 0.08 -1.11 0.00 0.00 175.55 173.87 3d5b s VAL 79 N -2.51 0.24 0.08 0.71 1.01 0.04 -1.23 120.40 118.73 3d5b s VAL 79 Ca 0.61 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.58 3d5b s VAL 79 Cb -0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 3d5b s VAL 79 CO 0.31 0.13 0.02 1.41 0.00 0.00 0.00 175.10 176.96 3d5b n HIS 80 N 3.71 0.08 -3.74 5.22 -0.00 0.97 -3.71 115.22 117.75 3d5b n HIS 80 Ca -0.22 -0.46 -0.16 0.00 -0.00 0.00 0.00 57.72 56.89 3d5b n HIS 80 Cb 0.53 -0.02 -0.16 0.00 -0.00 0.00 0.00 29.99 30.35 3d5b n HIS 80 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3d5b s VAL 81 N -1.67 -0.09 -0.57 1.59 1.01 -0.61 -1.13 120.40 118.93 3d5b s VAL 81 Ca 0.03 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 3d5b s VAL 81 Cb 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.32 3d5b s VAL 81 CO 0.02 0.11 0.66 0.00 0.00 0.00 0.00 175.10 175.88 3d5b s ARG 82 N 1.41 3.04 0.31 2.72 1.70 -0.14 -4.66 118.95 123.33 3d5b s ARG 82 Ca -0.06 -1.33 -0.29 0.00 -0.47 0.00 0.00 55.73 53.58 3d5b s ARG 82 Cb -0.12 -4.25 -0.11 0.00 -0.57 0.00 0.00 34.95 29.90 3d5b s ARG 82 CO -0.04 -1.46 1.47 -1.25 -1.08 0.00 0.00 175.30 172.93 3d5b s PRO 83 N 2.50 4.20 -0.16 3.89 0.04 -1.26 -2.90 135.00 141.31 3d5b s PRO 83 Ca 0.10 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 3d5b s PRO 83 Cb -0.24 -3.04 0.13 0.00 0.04 0.00 0.00 34.50 31.38 3d5b s PRO 83 CO 0.06 -0.46 1.00 -0.48 0.04 0.00 0.00 177.00 177.16 3d5b s LEU 84 N -1.13 -0.37 0.00 -3.56 0.05 -0.99 -4.96 118.68 107.73 3d5b s LEU 84 Ca 0.57 0.40 0.00 0.00 0.05 0.00 0.00 54.13 55.15 3d5b s LEU 84 Cb -0.44 1.85 0.00 0.00 -2.05 0.00 0.00 46.19 45.55 3d5b s LEU 84 CO 0.52 -0.34 0.00 0.00 -0.55 0.00 0.00 176.35 175.98