#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh3 s SER 5 N 0.00 5.90 -0.02 -2.24 0.01 -1.26 -4.84 113.70 111.25 3dh3 s SER 5 Ca 0.00 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 3dh3 s SER 5 Cb 0.00 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 3dh3 s SER 5 CO 0.00 -0.09 0.12 -0.55 0.41 0.00 0.00 173.24 173.13 3dh3 s SER 6 N -3.93 6.00 0.00 2.44 0.15 -1.26 -4.40 113.70 112.70 3dh3 s SER 6 Ca 0.35 0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.28 3dh3 s SER 6 Cb -0.08 -1.81 -0.01 0.00 -1.71 0.00 0.00 66.02 62.41 3dh3 s SER 6 CO 0.27 0.28 -0.10 -0.69 1.20 0.00 0.00 173.24 174.21 3dh3 s VAL 7 N -1.22 0.75 0.58 4.45 1.01 -1.18 -4.93 120.40 119.87 3dh3 s VAL 7 Ca 0.24 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 3dh3 s VAL 7 Cb -0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3dh3 s VAL 7 CO 0.15 0.12 1.34 -1.14 0.00 0.00 0.00 175.10 175.57 3dh3 n ARG 8 N 2.60 1.50 0.20 2.72 0.63 -1.26 0.22 116.66 123.27 3dh3 n ARG 8 Ca -0.15 0.56 -0.15 0.00 -0.92 0.00 0.00 57.85 57.20 3dh3 n ARG 8 Cb 0.56 -2.57 -0.08 0.00 0.45 0.00 0.00 32.46 30.82 3dh3 n ARG 8 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3dh3 h LEU 9 N 1.12 -0.38 -0.08 6.15 5.85 -1.65 -0.03 115.31 126.29 3dh3 h LEU 9 Ca -0.51 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.24 3dh3 h LEU 9 Cb 1.32 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 3dh3 h LEU 9 CO 0.56 -0.24 -0.32 -0.55 -0.34 0.00 0.00 178.44 177.55 3dh3 h ASN 10 N -0.50 -0.98 -0.34 1.25 7.08 -1.90 0.15 115.58 120.34 3dh3 h ASN 10 Ca -0.05 0.14 0.07 0.00 -3.08 0.00 0.00 56.30 53.38 3dh3 h ASN 10 Cb 0.38 0.41 -0.06 0.00 -2.08 0.00 0.00 38.32 36.96 3dh3 h ASN 10 CO 0.08 -0.37 -0.05 0.50 -2.08 0.00 0.00 177.43 175.51 3dh3 h LYS 11 N -0.42 0.03 -0.25 4.14 3.64 -1.84 0.47 116.57 122.34 3dh3 h LYS 11 Ca 0.08 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3dh3 h LYS 11 Cb 0.55 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 3dh3 h LYS 11 CO -0.32 0.02 -0.03 -0.92 -2.27 0.00 0.00 179.45 175.93 3dh3 h TYR 12 N 0.03 -0.08 -0.48 1.91 5.03 -0.17 0.78 116.97 124.00 3dh3 h TYR 12 Ca 0.16 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.40 3dh3 h TYR 12 Cb 0.24 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 3dh3 h TYR 12 CO -0.28 -0.08 -0.07 0.97 -1.32 0.00 0.00 178.16 177.38 3dh3 h ILE 13 N 0.03 1.27 -0.07 1.81 -0.00 -0.29 -2.68 117.51 117.59 3dh3 h ILE 13 Ca 0.12 -1.17 0.02 0.00 -0.00 0.00 0.00 64.86 63.83 3dh3 h ILE 13 Cb 0.17 1.05 -0.03 0.00 -0.00 0.00 0.00 36.82 38.01 3dh3 h ILE 13 CO -0.23 0.41 -0.08 -1.28 -0.00 0.00 0.00 178.15 176.97 3dh3 h SER 14 N 0.75 -0.24 0.00 2.19 0.87 0.58 -1.34 113.55 116.35 3dh3 h SER 14 Ca 0.13 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3dh3 h SER 14 Cb 0.60 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3dh3 h SER 14 CO 0.04 -0.11 0.06 -0.62 -0.53 0.00 0.00 176.83 175.66 3dh3 n GLU 15 N -5.21 0.06 0.15 2.24 1.02 0.27 -0.66 120.64 118.52 3dh3 n GLU 15 Ca -0.05 0.54 0.13 0.00 -0.02 0.00 0.00 57.16 57.76 3dh3 n GLU 15 Cb 0.13 -1.76 0.45 0.00 -0.02 0.00 0.00 31.44 30.24 3dh3 n GLU 15 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3dh3 h SER 16 N 0.00 0.00 0.00 1.62 4.64 -0.90 -3.41 113.55 115.50 3dh3 h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dh3 h SER 16 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3dh3 h SER 16 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3dh3 n GLY 17 N 0.64 0.90 0.11 -0.77 0.00 0.17 -4.94 105.19 101.30 3dh3 n GLY 17 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3dh3 n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dh3 h ILE 18 N 0.00 1.10 -2.20 -0.61 1.08 -1.72 -3.43 117.51 111.72 3dh3 h ILE 18 Ca 0.00 -0.26 0.07 0.00 -0.39 0.00 0.00 64.86 64.29 3dh3 h ILE 18 Cb 0.00 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 3dh3 h ILE 18 CO 0.00 0.10 0.31 0.00 -0.69 0.00 0.00 178.15 177.86 3dh3 s SER 20 N -2.36 5.06 0.14 0.00 1.04 -1.26 -4.26 113.70 112.06 3dh3 s SER 20 Ca 0.12 0.90 -0.16 0.00 0.48 0.00 0.00 55.95 57.29 3dh3 s SER 20 Cb -0.02 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.52 3dh3 s SER 20 CO 0.04 -1.54 1.74 -0.09 0.98 0.00 0.00 173.24 174.36 3dh3 h ARG 21 N -0.75 0.57 0.00 4.02 2.43 -1.92 -1.26 114.38 117.47 3dh3 h ARG 21 Ca -0.45 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 58.57 3dh3 h ARG 21 Cb 1.29 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3dh3 h ARG 21 CO 0.64 0.48 -0.36 0.00 -1.51 0.00 0.00 179.97 179.22 3dh3 h ARG 22 N 0.52 0.00 -0.21 0.20 3.08 -1.93 -2.26 114.38 113.77 3dh3 h ARG 22 Ca 0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3dh3 h ARG 22 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3dh3 h ARG 22 CO -0.02 0.36 0.02 0.93 -1.07 0.00 0.00 179.97 180.19 3dh3 h GLU 23 N 0.00 0.37 -0.38 0.04 5.08 -1.85 -2.87 114.58 114.96 3dh3 h GLU 23 Ca -0.00 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3dh3 h GLU 23 Cb 0.83 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 3dh3 h GLU 23 CO 0.05 0.53 -0.50 0.00 -1.00 0.00 0.00 179.01 178.08 3dh3 h ALA 24 N 0.82 -0.73 -0.66 3.43 0.00 -0.67 -0.34 119.26 121.11 3dh3 h ALA 24 Ca 0.06 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.16 3dh3 h ALA 24 Cb 0.35 1.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3dh3 h ALA 24 CO 0.01 -0.98 0.47 -0.44 0.00 0.00 0.00 179.25 178.31 3dh3 h ASP 25 N -0.35 0.01 -0.32 0.00 3.45 -1.40 0.23 116.42 118.04 3dh3 h ASP 25 Ca 0.07 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.47 3dh3 h ASP 25 Cb 0.53 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3dh3 h ASP 25 CO -0.55 0.00 -0.03 -0.09 -1.57 0.00 0.00 179.24 177.00 3dh3 h ARG 26 N 0.01 0.59 0.69 3.56 9.65 -0.85 -1.33 114.38 126.69 3dh3 h ARG 26 Ca 0.31 -0.20 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3dh3 h ARG 26 Cb 1.25 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.79 3dh3 h ARG 26 CO -0.01 0.74 -0.33 1.88 2.80 0.00 0.00 179.97 185.06 3dh3 h TYR 27 N 0.38 -0.85 -0.86 2.20 0.99 0.06 -1.63 116.97 117.25 3dh3 h TYR 27 Ca 0.09 -0.02 0.16 0.00 2.00 0.00 0.00 58.73 60.96 3dh3 h TYR 27 Cb 0.50 0.28 -0.16 0.00 1.00 0.00 0.00 36.73 38.35 3dh3 h TYR 27 CO 0.04 -0.52 -0.27 0.82 -0.00 0.00 0.00 178.16 178.23 3dh3 h ILE 28 N -0.97 0.10 -0.90 -2.88 2.04 -1.25 0.25 117.51 113.90 3dh3 h ILE 28 Ca -0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3dh3 h ILE 28 Cb 0.72 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3dh3 h ILE 28 CO 0.15 0.00 0.59 -0.33 0.00 0.00 0.00 178.15 178.56 3dh3 h GLU 29 N -0.03 0.98 -0.81 2.37 5.08 -1.02 -0.98 114.58 120.18 3dh3 h GLU 29 Ca 0.38 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3dh3 h GLU 29 Cb 0.62 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3dh3 h GLU 29 CO -0.89 0.65 0.00 1.04 -1.00 0.00 0.00 179.01 178.81 3dh3 n GLN 30 N -4.50 2.10 -3.67 2.33 6.02 0.82 -4.88 117.38 115.61 3dh3 n GLN 30 Ca 0.14 -0.93 -0.27 0.00 -0.01 0.00 0.00 57.00 55.93 3dh3 n GLN 30 Cb 0.21 -1.67 0.03 0.00 1.02 0.00 0.00 30.24 29.83 3dh3 n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dh3 n GLY 31 N 0.26 -0.51 0.84 1.08 0.00 -0.37 -4.87 105.19 101.62 3dh3 n GLY 31 Ca 0.08 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.40 3dh3 n GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dh3 n ASN 32 N -2.72 2.72 -4.43 1.61 3.02 -0.98 -4.95 115.26 109.53 3dh3 n ASN 32 Ca 0.01 -1.87 -0.32 0.00 -0.03 0.00 0.00 54.58 52.36 3dh3 n ASN 32 Cb 0.54 0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.67 3dh3 n ASN 32 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dh3 s VAL 33 N -2.09 2.86 -0.07 2.41 1.01 -1.26 -0.66 120.40 122.59 3dh3 s VAL 33 Ca 0.27 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3dh3 s VAL 33 Cb 0.20 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.49 3dh3 s VAL 33 CO 0.35 0.58 -0.07 -0.36 0.00 0.00 0.00 175.10 175.61 3dh3 s PHE 34 N -0.59 1.12 -0.40 5.22 0.40 0.67 -0.45 117.98 123.95 3dh3 s PHE 34 Ca 0.09 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.87 3dh3 s PHE 34 Cb -0.11 -0.94 0.04 0.00 0.51 0.00 0.00 43.02 42.52 3dh3 s PHE 34 CO 0.01 -0.32 0.24 -1.17 0.70 0.00 0.00 175.22 174.68 3dh3 s LEU 35 N 1.21 4.94 -1.32 -0.37 0.20 0.12 -1.09 118.68 122.36 3dh3 s LEU 35 Ca -0.06 -1.14 -0.07 0.00 0.69 0.00 0.00 54.13 53.56 3dh3 s LEU 35 Cb -0.14 -2.04 -0.00 0.00 -0.43 0.00 0.00 46.19 43.58 3dh3 s LEU 35 CO -0.02 -0.45 0.54 0.59 -0.29 0.00 0.00 176.35 176.72 3dh3 n ASN 36 N 5.01 -1.76 0.00 3.68 3.02 0.47 -0.58 115.26 125.12 3dh3 n ASN 36 Ca -0.11 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3dh3 n ASN 36 Cb 0.45 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.46 3dh3 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dh3 n GLY 37 N -1.88 2.11 3.75 7.41 0.00 -1.26 -4.96 105.19 110.35 3dh3 n GLY 37 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 3dh3 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dh3 s LYS 38 N 0.00 4.65 -0.16 1.61 3.01 0.26 -5.00 119.74 124.11 3dh3 s LYS 38 Ca 0.00 1.28 -0.29 0.00 -1.01 0.00 0.00 55.97 55.95 3dh3 s LYS 38 Cb 0.00 -3.31 -0.05 0.00 -1.01 0.00 0.00 37.83 33.46 3dh3 s LYS 38 CO 0.00 0.43 1.88 0.50 0.51 0.00 0.00 175.35 178.67 3dh3 s ARG 39 N -0.70 3.68 0.98 1.68 3.52 -1.26 0.12 118.95 126.97 3dh3 s ARG 39 Ca 0.40 2.00 -0.12 0.00 -0.13 0.00 0.00 55.73 57.88 3dh3 s ARG 39 Cb -0.23 -4.17 0.18 0.00 -1.56 0.00 0.00 34.95 29.17 3dh3 s ARG 39 CO 0.28 -1.45 1.08 0.00 -0.81 0.00 0.00 175.30 174.40 3dh3 s ALA 40 N 5.94 0.98 -0.02 6.12 0.00 0.40 -4.87 121.76 130.31 3dh3 s ALA 40 Ca 0.84 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 3dh3 s ALA 40 Cb -0.32 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.62 3dh3 s ALA 40 CO 0.34 -2.80 0.13 0.95 0.00 0.00 0.00 175.76 174.38 3dh3 s THR 41 N -2.85 0.05 -0.31 0.00 -4.23 -1.26 -4.90 115.64 102.14 3dh3 s THR 41 Ca 0.65 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 60.49 3dh3 s THR 41 Cb -0.20 -0.32 -0.12 0.00 1.34 0.00 0.00 72.50 73.20 3dh3 s THR 41 CO 0.59 -0.21 1.02 -0.38 -0.54 0.00 0.00 174.62 175.09 3dh3 n ILE 42 N 2.17 0.00 0.00 2.99 -0.00 -1.26 -1.76 119.36 121.50 3dh3 n ILE 42 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 3dh3 n ILE 42 Cb 0.57 -0.31 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 3dh3 n ILE 42 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3dh3 n GLY 43 N 2.70 2.94 3.74 7.39 0.00 -1.26 -5.07 105.19 115.62 3dh3 n GLY 43 Ca 0.21 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 3dh3 n GLY 43 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dh3 s ASP 44 N -0.03 4.93 0.45 1.61 1.47 -0.72 -4.62 116.67 119.75 3dh3 s ASP 44 Ca 0.00 2.73 -0.04 0.00 1.18 0.00 0.00 52.55 56.42 3dh3 s ASP 44 Cb 0.00 -2.63 -0.03 0.00 -0.34 0.00 0.00 42.92 39.92 3dh3 s ASP 44 CO 0.00 -1.80 0.73 -1.10 0.68 0.00 0.00 175.17 173.69 3dh3 s GLN 45 N -3.12 3.50 -0.32 2.11 -1.52 -1.26 -1.95 119.66 117.10 3dh3 s GLN 45 Ca 0.77 0.06 0.03 0.00 -1.95 0.00 0.00 55.36 54.27 3dh3 s GLN 45 Cb -0.40 -2.44 0.09 0.00 -0.22 0.00 0.00 33.01 30.04 3dh3 s GLN 45 CO 0.45 -0.14 0.02 0.54 -0.25 0.00 0.00 175.29 175.91 3dh3 s VAL 46 N -2.65 2.13 0.46 1.09 0.11 0.13 -4.83 120.40 116.84 3dh3 s VAL 46 Ca 0.46 -2.11 -0.20 0.00 -2.93 0.00 0.00 61.98 57.20 3dh3 s VAL 46 Cb -0.10 -2.51 -0.10 0.00 -1.53 0.00 0.00 36.38 32.14 3dh3 s VAL 46 CO 0.43 -0.49 0.97 -0.54 -3.33 0.00 0.00 175.10 172.14 3dh3 s LYS 47 N 1.01 4.10 0.34 1.54 1.02 -1.26 -3.09 119.74 123.40 3dh3 s LYS 47 Ca 0.07 1.12 0.12 0.00 0.02 0.00 0.00 55.97 57.30 3dh3 s LYS 47 Cb -0.19 -2.16 0.95 0.00 -0.52 0.00 0.00 37.83 35.91 3dh3 s LYS 47 CO -0.09 -0.14 1.74 -1.35 -0.92 0.00 0.00 175.35 174.59 3dh3 h PRO 48 N 1.64 0.51 -0.33 -1.68 0.11 -1.88 0.19 132.00 130.55 3dh3 h PRO 48 Ca -0.49 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.66 3dh3 h PRO 48 Cb 1.19 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 3dh3 h PRO 48 CO 0.61 0.34 -0.03 0.78 -0.21 0.00 0.00 178.00 179.49 3dh3 h GLY 49 N 0.52 0.30 -2.76 -0.55 0.00 -1.97 -3.47 103.07 95.15 3dh3 h GLY 49 Ca 0.64 0.06 -0.55 0.00 0.00 0.00 0.00 47.33 47.48 3dh3 h GLY 49 CO -0.43 -0.10 -1.28 1.22 0.00 0.00 0.00 176.54 175.95 3dh3 n ASP 50 N -5.21 -4.20 -3.93 0.19 10.43 0.67 -5.04 116.55 109.46 3dh3 n ASP 50 Ca 0.01 0.31 -0.26 0.00 2.57 0.00 0.00 54.79 57.42 3dh3 n ASP 50 Cb 0.18 -0.94 -0.17 0.00 1.84 0.00 0.00 41.12 42.03 3dh3 n ASP 50 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3dh3 s VAL 51 N -2.10 1.00 -0.13 2.53 0.11 -1.26 -4.98 120.40 115.57 3dh3 s VAL 51 Ca 0.49 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 3dh3 s VAL 51 Cb -0.24 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3dh3 s VAL 51 CO 0.74 0.35 -0.13 -0.69 -3.33 0.00 0.00 175.10 172.04 3dh3 s VAL 52 N 1.41 3.01 -0.08 2.04 1.01 -1.26 -0.39 120.40 126.14 3dh3 s VAL 52 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3dh3 s VAL 52 Cb -0.13 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3dh3 s VAL 52 CO -0.05 0.53 -0.07 -0.54 0.00 0.00 0.00 175.10 174.97 3dh3 s LYS 53 N 0.35 1.29 -0.19 2.72 1.02 -0.25 -1.10 119.74 123.58 3dh3 s LYS 53 Ca -0.11 -0.20 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 3dh3 s LYS 53 Cb -0.16 -1.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.81 3dh3 s LYS 53 CO 0.06 -0.17 -0.02 0.08 -0.92 0.00 0.00 175.35 174.37 3dh3 s VAL 54 N 1.38 3.80 -1.02 3.17 1.01 -0.81 -0.24 120.40 127.69 3dh3 s VAL 54 Ca -0.02 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3dh3 s VAL 54 Cb -0.14 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.58 3dh3 s VAL 54 CO -0.04 0.44 0.57 0.59 0.00 0.00 0.00 175.10 176.67 3dh3 n ASN 55 N 4.17 -3.51 0.00 3.32 5.03 0.16 -1.95 115.26 122.48 3dh3 n ASN 55 Ca -0.17 -1.11 0.00 0.00 0.87 0.00 0.00 54.58 54.17 3dh3 n ASN 55 Cb 0.52 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 37.93 3dh3 n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dh3 n GLY 56 N -1.92 0.94 3.66 7.41 0.00 -1.26 -4.94 105.19 109.08 3dh3 n GLY 56 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3dh3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dh3 s GLN 57 N 0.00 4.18 0.47 1.61 0.74 -0.82 -4.96 119.66 120.88 3dh3 s GLN 57 Ca 0.00 1.76 -0.24 0.00 0.05 0.00 0.00 55.36 56.93 3dh3 s GLN 57 Cb 0.00 -3.84 -0.07 0.00 1.10 0.00 0.00 33.01 30.20 3dh3 s GLN 57 CO 0.00 -0.79 1.36 -1.17 -0.55 0.00 0.00 175.29 174.14 3dh3 s LEU 58 N 3.75 4.06 -0.03 3.68 0.20 -1.26 -1.93 118.68 127.15 3dh3 s LEU 58 Ca 0.60 2.77 0.05 0.00 0.69 0.00 0.00 54.13 58.24 3dh3 s LEU 58 Cb -0.24 -4.04 -0.01 0.00 -0.43 0.00 0.00 46.19 41.47 3dh3 s LEU 58 CO 0.19 -1.19 -0.19 0.27 -0.29 0.00 0.00 176.35 175.15 3dh3 s ILE 59 N -1.27 1.54 0.21 6.68 -4.36 -0.26 -4.91 121.20 118.82 3dh3 s ILE 59 Ca 0.63 -0.81 0.06 0.00 -0.26 0.00 0.00 60.65 60.27 3dh3 s ILE 59 Cb -0.40 -1.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 3dh3 s ILE 59 CO 0.51 0.44 0.18 -1.61 0.24 0.00 0.00 174.94 174.69 3dh3 s GLU 60 N -0.26 2.95 0.71 0.37 2.02 -1.26 -4.49 118.70 118.74 3dh3 s GLU 60 Ca 0.03 -0.94 -0.13 0.00 0.02 0.00 0.00 54.97 53.95 3dh3 s GLU 60 Cb -0.09 -2.63 0.03 0.00 0.10 0.00 0.00 34.13 31.53 3dh3 s GLU 60 CO 0.01 0.45 1.09 -1.25 0.02 0.00 0.00 175.26 175.58 3dh3 s PRO 61 N -3.47 2.58 0.35 0.39 0.04 -1.26 -4.64 135.00 128.98 3dh3 s PRO 61 Ca 0.32 1.24 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 3dh3 s PRO 61 Cb -0.09 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3dh3 s PRO 61 CO 0.24 -1.40 0.96 0.50 0.04 0.00 0.00 177.00 177.34 3dh3 s ARG 62 N -4.56 4.49 0.12 4.56 3.52 -1.26 -5.03 118.95 120.78 3dh3 s ARG 62 Ca 0.63 1.33 -0.13 0.00 -0.13 0.00 0.00 55.73 57.43 3dh3 s ARG 62 Cb -0.18 -2.70 -0.07 0.00 -1.56 0.00 0.00 34.95 30.45 3dh3 s ARG 62 CO 0.49 0.19 0.50 -1.21 -0.81 0.00 0.00 175.30 174.47 3dh3 s GLU 63 N -2.24 3.92 0.40 5.12 0.41 -1.26 -4.96 118.70 120.09 3dh3 s GLU 63 Ca 0.52 0.41 0.18 0.00 -0.41 0.00 0.00 54.97 55.68 3dh3 s GLU 63 Cb -0.18 -2.97 1.10 0.00 -1.78 0.00 0.00 34.13 30.30 3dh3 s GLU 63 CO 0.23 0.51 1.78 0.00 -0.49 0.00 0.00 175.26 177.29 3dh3 h ALA 64 N 3.67 2.24 -0.00 5.21 0.00 -2.02 0.40 119.26 128.76 3dh3 h ALA 64 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dh3 h ALA 64 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dh3 h ALA 64 CO 0.66 -0.63 -0.07 0.39 0.00 0.00 0.00 179.25 179.60 3dh3 n GLU 65 N -4.61 0.75 0.00 0.00 4.71 -1.26 -3.09 120.64 117.14 3dh3 n GLU 65 Ca 0.25 -0.20 0.14 0.00 -0.01 0.00 0.00 57.16 57.33 3dh3 n GLU 65 Cb 0.87 -1.50 0.58 0.00 -1.01 0.00 0.00 31.44 30.38 3dh3 n GLU 65 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3dh3 n ASP 66 N -0.95 0.07 -4.59 1.62 10.43 0.14 -4.90 116.55 118.37 3dh3 n ASP 66 Ca 0.16 0.43 -0.48 0.00 2.57 0.00 0.00 54.79 57.47 3dh3 n ASP 66 Cb 0.25 -0.43 -0.04 0.00 1.84 0.00 0.00 41.12 42.74 3dh3 n ASP 66 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3dh3 n LEU 67 N -1.52 1.71 -4.15 0.64 7.94 -1.18 -5.00 117.00 115.45 3dh3 n LEU 67 Ca 0.07 1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 55.82 3dh3 n LEU 67 Cb 0.34 -1.24 -0.17 0.00 0.53 0.00 0.00 43.42 42.88 3dh3 n LEU 67 CO 0.28 -1.23 -0.52 -0.69 -1.11 0.00 0.00 177.39 174.12 3dh3 s VAL 68 N -0.25 1.68 -0.36 1.96 1.01 -1.26 -5.04 120.40 118.15 3dh3 s VAL 68 Ca 0.71 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3dh3 s VAL 68 Cb -0.82 -1.47 0.17 0.00 0.00 0.00 0.00 36.38 34.26 3dh3 s VAL 68 CO 0.52 0.48 0.48 -0.22 0.00 0.00 0.00 175.10 176.36 3dh3 s LEU 69 N 0.41 -0.82 0.18 3.92 2.96 -1.26 -2.91 118.68 121.15 3dh3 s LEU 69 Ca -0.15 -0.91 0.09 0.00 -0.22 0.00 0.00 54.13 52.94 3dh3 s LEU 69 Cb -0.16 1.25 -0.04 0.00 0.50 0.00 0.00 46.19 47.73 3dh3 s LEU 69 CO 0.06 -0.26 -0.12 0.27 -1.32 0.00 0.00 176.35 174.99 3dh3 s ILE 70 N 1.93 3.07 -0.12 6.68 -4.36 -0.73 -2.44 121.20 125.23 3dh3 s ILE 70 Ca 0.14 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 3dh3 s ILE 70 Cb -0.11 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 3dh3 s ILE 70 CO -0.13 -0.10 -0.13 0.00 0.24 0.00 0.00 174.94 174.82 3dh3 s ALA 71 N -1.67 2.62 -0.05 2.27 0.00 0.87 -1.15 121.76 124.66 3dh3 s ALA 71 Ca 0.24 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.36 3dh3 s ALA 71 Cb -0.09 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 3dh3 s ALA 71 CO 0.14 0.28 -0.22 -1.17 0.00 0.00 0.00 175.76 174.79 3dh3 s LEU 72 N 0.25 2.26 -0.83 0.00 2.96 0.13 -1.91 118.68 121.53 3dh3 s LEU 72 Ca -0.09 -0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 53.21 3dh3 s LEU 72 Cb -0.15 -1.42 0.11 0.00 0.50 0.00 0.00 46.19 45.22 3dh3 s LEU 72 CO 0.05 0.29 1.07 0.21 -1.32 0.00 0.00 176.35 176.66 3dh3 s ASN 73 N -0.43 6.45 -0.13 3.68 3.84 -0.43 -1.07 114.94 126.86 3dh3 s ASN 73 Ca 0.05 -1.65 -0.29 0.00 0.21 0.00 0.00 52.86 51.17 3dh3 s ASN 73 Cb -0.12 -2.41 -0.02 0.00 -0.55 0.00 0.00 41.25 38.16 3dh3 s ASN 73 CO 0.01 -1.21 1.17 -0.75 -2.79 0.00 0.00 177.10 173.53 3dh3 s LYS 74 N 3.24 4.30 0.60 0.43 2.20 0.98 -0.79 119.74 130.71 3dh3 s LYS 74 Ca 0.29 1.58 -0.11 0.00 -0.36 0.00 0.00 55.97 57.36 3dh3 s LYS 74 Cb -0.09 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3dh3 s LYS 74 CO -0.02 -0.55 1.01 -1.25 -0.36 0.00 0.00 175.35 174.17 3dh3 s PRO 75 N 2.82 3.64 0.62 4.03 0.04 -1.26 -1.03 135.00 143.86 3dh3 s PRO 75 Ca 0.52 0.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 3dh3 s PRO 75 Cb -0.21 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3dh3 s PRO 75 CO 0.16 -0.51 0.81 0.28 0.04 0.00 0.00 177.00 177.78 3dh3 n VAL 76 N -2.57 3.14 0.00 -0.36 0.31 -1.25 -3.04 118.33 114.55 3dh3 n VAL 76 Ca 0.06 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3dh3 n VAL 76 Cb 0.54 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 3dh3 n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dh3 n GLY 77 N 1.44 2.82 3.74 2.92 0.00 0.18 -5.00 105.19 111.29 3dh3 n GLY 77 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3dh3 n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh3 s ILE 78 N -2.82 4.63 -0.12 -0.61 1.09 -1.17 -4.90 121.20 117.30 3dh3 s ILE 78 Ca 0.00 1.82 -0.10 0.00 -1.10 0.00 0.00 60.65 61.28 3dh3 s ILE 78 Cb 0.00 -4.21 -0.05 0.00 -1.06 0.00 0.00 42.46 37.15 3dh3 s ILE 78 CO 0.00 0.34 0.20 -0.69 -0.10 0.00 0.00 174.94 174.69 3dh3 s VAL 79 N -0.02 5.39 -1.31 2.92 1.01 -0.26 -4.15 120.40 123.98 3dh3 s VAL 79 Ca 0.42 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 3dh3 s VAL 79 Cb -0.22 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3dh3 s VAL 79 CO 0.26 0.56 2.84 -1.20 0.00 0.00 0.00 175.10 177.55 3dh3 n SER 80 N 2.40 8.09 -4.21 3.32 7.64 -1.26 -0.66 113.62 128.94 3dh3 n SER 80 Ca -0.17 -2.78 -0.16 0.00 1.01 0.00 0.00 58.87 56.76 3dh3 n SER 80 Cb 0.54 -1.46 -0.11 0.00 -1.01 0.00 0.00 64.21 62.16 3dh3 n SER 80 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3dh3 s THR 81 N 0.75 1.14 -1.49 0.44 -1.32 -1.26 -4.84 115.64 109.06 3dh3 s THR 81 Ca 0.64 -1.67 0.23 0.00 -1.21 0.00 0.00 61.69 59.68 3dh3 s THR 81 Cb 0.21 -1.44 -0.06 0.00 -1.51 0.00 0.00 72.50 69.69 3dh3 s THR 81 CO -0.07 -0.48 1.10 0.35 -2.21 0.00 0.00 174.62 173.31 3dh3 n THR 82 N 0.56 0.00 -2.67 5.08 -2.24 -1.26 -3.23 114.28 110.52 3dh3 n THR 82 Ca -0.16 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 3dh3 n THR 82 Cb 0.57 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 3dh3 n THR 82 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3dh3 s GLU 83 N -2.74 4.05 0.05 -0.78 -1.05 -1.26 -4.96 118.70 112.01 3dh3 s GLU 83 Ca 0.14 1.27 -0.19 0.00 -0.15 0.00 0.00 54.97 56.05 3dh3 s GLU 83 Cb 0.17 -2.20 -0.14 0.00 -0.44 0.00 0.00 34.13 31.52 3dh3 s GLU 83 CO 0.70 -0.21 1.34 -0.44 0.95 0.00 0.00 175.26 177.60 3dh3 h ASP 84 N 1.87 0.51 -0.81 0.83 3.45 -2.02 -3.28 116.42 116.97 3dh3 h ASP 84 Ca -0.49 -0.51 0.15 0.00 0.43 0.00 0.00 57.03 56.61 3dh3 h ASP 84 Cb 1.20 -0.15 -0.15 0.00 -0.56 0.00 0.00 39.33 39.68 3dh3 h ASP 84 CO 0.60 0.92 -0.23 0.61 -1.57 0.00 0.00 179.24 179.58 3dh3 n GLY 85 N 0.29 -1.44 3.63 2.75 0.00 -1.26 -4.09 105.19 105.08 3dh3 n GLY 85 Ca -0.06 0.88 -0.43 0.00 0.00 0.00 0.00 46.02 46.41 3dh3 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dh3 s GLU 86 N -5.96 3.83 0.36 1.61 2.56 -1.24 -4.88 118.70 114.99 3dh3 s GLU 86 Ca -0.12 1.37 0.04 0.00 0.00 0.00 0.00 54.97 56.27 3dh3 s GLU 86 Cb 0.21 -3.96 0.69 0.00 2.00 0.00 0.00 34.13 33.07 3dh3 s GLU 86 CO 0.62 -1.24 1.97 0.07 -0.56 0.00 0.00 175.26 176.12 3dh3 h ARG 87 N 10.03 0.63 -1.01 4.30 0.11 -1.90 -2.63 114.38 123.92 3dh3 h ARG 87 Ca -0.29 -0.07 -0.53 0.00 0.10 0.00 0.00 59.98 59.18 3dh3 h ARG 87 Cb 1.12 -0.12 -0.29 0.00 1.11 0.00 0.00 29.97 31.78 3dh3 h ARG 87 CO 1.03 0.50 0.68 -0.25 0.10 0.00 0.00 179.97 182.02 3dh3 n ASP 88 N -4.39 4.54 -4.77 0.08 8.00 -1.26 -4.95 116.55 113.81 3dh3 n ASP 88 Ca 0.03 -3.58 -0.37 0.00 0.71 0.00 0.00 54.79 51.58 3dh3 n ASP 88 Cb 0.13 -0.86 -0.00 0.00 -0.02 0.00 0.00 41.12 40.36 3dh3 n ASP 88 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dh3 s ASN 89 N -1.30 6.08 0.48 -2.24 2.20 -0.99 -1.10 114.94 118.06 3dh3 s ASN 89 Ca 0.56 2.36 0.24 0.00 -0.94 0.00 0.00 52.86 55.08 3dh3 s ASN 89 Cb 0.47 -2.61 1.22 0.00 -2.00 0.00 0.00 41.25 38.33 3dh3 s ASN 89 CO 0.08 -0.98 1.98 -0.29 -2.94 0.00 0.00 177.10 174.95 3dh3 h ILE 90 N 1.84 0.69 -0.06 0.54 2.10 -0.86 -2.85 117.51 118.91 3dh3 h ILE 90 Ca -0.49 -0.77 -0.03 0.00 1.08 0.00 0.00 64.86 64.64 3dh3 h ILE 90 Cb 1.25 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 38.46 3dh3 h ILE 90 CO 0.60 0.18 -0.09 0.58 -1.08 0.00 0.00 178.15 178.34 3dh3 h VAL 91 N 0.00 1.41 -0.31 2.19 2.07 -1.85 -2.51 116.25 117.24 3dh3 h VAL 91 Ca -0.00 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 3dh3 h VAL 91 Cb 0.47 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3dh3 h VAL 91 CO 0.02 0.37 -0.05 0.44 0.02 0.00 0.00 177.57 178.37 3dh3 h ASP 92 N -0.32 0.46 -0.19 0.57 3.32 -1.89 -0.15 116.42 118.22 3dh3 h ASP 92 Ca 0.00 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3dh3 h ASP 92 Cb 0.65 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3dh3 h ASP 92 CO 0.02 0.57 0.11 0.15 -1.72 0.00 0.00 179.24 178.37 3dh3 h PHE 93 N 0.46 0.25 0.00 4.55 3.04 -1.36 -2.01 116.94 121.87 3dh3 h PHE 93 Ca 0.09 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.95 3dh3 h PHE 93 Cb 0.39 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 3dh3 h PHE 93 CO 0.01 0.22 -0.43 -0.39 -2.02 0.00 0.00 178.31 175.70 3dh3 h VAL 94 N 0.21 0.93 -6.58 1.41 -1.51 -1.25 -3.47 116.25 105.99 3dh3 h VAL 94 Ca 0.07 -1.74 -0.52 0.00 -1.23 0.00 0.00 66.70 63.28 3dh3 h VAL 94 Cb 0.05 2.06 -0.07 0.00 -2.13 0.00 0.00 31.29 31.19 3dh3 h VAL 94 CO -0.01 0.42 -0.90 -3.20 -1.23 0.00 0.00 177.57 172.65 3dh3 n ASN 95 N -3.48 -0.28 -4.79 4.19 4.05 -0.09 -4.91 115.26 109.95 3dh3 n ASN 95 Ca 0.00 -1.05 -0.33 0.00 0.45 0.00 0.00 54.58 53.65 3dh3 n ASN 95 Cb 0.57 -2.82 0.02 0.00 1.23 0.00 0.00 39.78 38.78 3dh3 n ASN 95 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 177.26 171.93 3dh3 s HIS 96 N -4.01 2.88 0.17 1.20 2.46 -1.26 -4.95 115.29 111.78 3dh3 s HIS 96 Ca 0.02 1.52 -0.07 0.00 0.47 0.00 0.00 55.06 57.00 3dh3 s HIS 96 Cb -0.01 -3.05 0.05 0.00 -0.13 0.00 0.00 32.58 29.44 3dh3 s HIS 96 CO 0.91 -1.30 1.52 0.66 -2.47 0.00 0.00 174.74 174.06 3dh3 h SER 97 N 0.27 0.86 -2.97 9.88 4.64 -1.99 -3.44 113.55 120.79 3dh3 h SER 97 Ca -0.47 -0.39 -0.50 0.00 -0.47 0.00 0.00 61.79 59.97 3dh3 h SER 97 Cb 1.23 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3dh3 h SER 97 CO 0.56 1.14 -0.19 -0.54 -0.87 0.00 0.00 176.83 176.94 3dh3 s LYS 98 N -4.37 3.54 0.01 4.77 1.02 -1.26 -5.06 119.74 118.40 3dh3 s LYS 98 Ca -0.10 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.39 3dh3 s LYS 98 Cb 0.12 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 3dh3 s LYS 98 CO 0.86 0.20 1.64 0.50 -0.92 0.00 0.00 175.35 177.63 3dh3 s ARG 99 N -3.91 4.20 0.05 1.68 3.52 -1.26 -4.99 118.95 118.23 3dh3 s ARG 99 Ca 0.41 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 3dh3 s ARG 99 Cb -0.10 -3.79 -0.03 0.00 -1.56 0.00 0.00 34.95 29.47 3dh3 s ARG 99 CO 0.33 -0.78 -0.04 0.14 -0.81 0.00 0.00 175.30 174.14 3dh3 s VAL 100 N 3.30 0.30 0.08 7.11 -7.23 -1.26 -4.45 120.40 118.26 3dh3 s VAL 100 Ca 0.73 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 3dh3 s VAL 100 Cb -0.36 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 3dh3 s VAL 100 CO 0.31 -0.71 -0.11 0.72 -0.31 0.00 0.00 175.10 174.99 3dh3 s PHE 101 N -2.63 1.08 0.21 2.82 -0.12 0.24 -4.89 117.98 114.68 3dh3 s PHE 101 Ca -0.03 -0.57 -0.30 0.00 -0.05 0.00 0.00 56.93 55.98 3dh3 s PHE 101 Cb -0.01 -0.60 -0.08 0.00 -0.63 0.00 0.00 43.02 41.70 3dh3 s PHE 101 CO -0.05 0.02 1.00 -1.25 -0.05 0.00 0.00 175.22 174.89 3dh3 s PRO 102 N -2.34 4.74 -0.40 1.99 0.04 -1.26 0.03 135.00 137.80 3dh3 s PRO 102 Ca 0.02 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 3dh3 s PRO 102 Cb -0.06 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.22 3dh3 s PRO 102 CO 0.01 0.33 1.01 0.42 0.04 0.00 0.00 177.00 178.81 3dh3 s ILE 103 N -0.76 4.45 0.05 0.56 1.01 -0.67 -4.86 121.20 120.99 3dh3 s ILE 103 Ca 0.44 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.33 3dh3 s ILE 103 Cb -0.27 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 37.76 3dh3 s ILE 103 CO 0.33 -0.70 0.00 0.61 0.00 0.00 0.00 174.94 175.18 3dh3 n GLY 104 N 4.50 -2.05 2.94 6.18 0.00 -1.26 -4.53 105.19 110.96 3dh3 n GLY 104 Ca 0.09 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 3dh3 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dh3 s ARG 105 N -0.85 0.11 0.25 1.61 0.52 -1.26 -5.01 118.95 114.31 3dh3 s ARG 105 Ca 0.00 0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 55.64 3dh3 s ARG 105 Cb 0.00 -0.17 -0.08 0.00 0.52 0.00 0.00 34.95 35.23 3dh3 s ARG 105 CO 0.00 -0.24 0.61 -0.51 0.02 0.00 0.00 175.30 175.18 3dh3 s LEU 106 N 1.87 4.17 0.74 2.53 1.43 -1.26 -5.04 118.68 123.12 3dh3 s LEU 106 Ca -0.03 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 3dh3 s LEU 106 Cb -0.12 -3.74 0.04 0.00 0.03 0.00 0.00 46.19 42.40 3dh3 s LEU 106 CO -0.07 -0.08 1.22 -1.81 0.23 0.00 0.00 176.35 175.84 3dh3 s ASP 107 N -2.21 4.08 0.15 2.29 1.01 -1.26 -4.19 116.67 116.54 3dh3 s ASP 107 Ca 0.48 2.41 -0.17 0.00 0.71 0.00 0.00 52.55 55.97 3dh3 s ASP 107 Cb -0.12 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.28 3dh3 s ASP 107 CO 0.20 -2.34 1.69 0.50 0.21 0.00 0.00 175.17 175.43 3dh3 h LYS 108 N -0.33 0.05 0.00 8.23 3.64 -1.94 -1.77 116.57 124.44 3dh3 h LYS 108 Ca -0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3dh3 h LYS 108 Cb 1.30 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3dh3 h LYS 108 CO 0.49 0.03 0.00 -0.40 -2.27 0.00 0.00 179.45 177.30 3dh3 n ASP 109 N -5.22 0.23 -4.82 4.20 3.85 -1.26 0.48 116.55 114.00 3dh3 n ASP 109 Ca 0.01 0.53 -0.24 0.00 -0.71 0.00 0.00 54.79 54.38 3dh3 n ASP 109 Cb 0.18 -0.59 0.08 0.00 -1.35 0.00 0.00 41.12 39.44 3dh3 n ASP 109 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3dh3 s SER 110 N -3.44 4.74 0.20 -1.12 0.01 -0.67 -4.72 113.70 108.71 3dh3 s SER 110 Ca 0.11 0.02 -0.21 0.00 1.31 0.00 0.00 55.95 57.19 3dh3 s SER 110 Cb 0.15 -0.64 0.04 0.00 0.21 0.00 0.00 66.02 65.78 3dh3 s SER 110 CO 0.49 -1.58 0.60 0.00 0.41 0.00 0.00 173.24 173.17 3dh3 s GLN 111 N -5.07 1.44 0.00 12.44 -2.07 -0.20 -3.96 119.66 122.23 3dh3 s GLN 111 Ca 0.62 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 53.43 3dh3 s GLN 111 Cb -0.09 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 3dh3 s GLN 111 CO 0.43 -0.63 0.00 0.41 -1.32 0.00 0.00 175.29 174.18 3dh3 n GLY 112 N -0.38 0.51 3.76 2.60 0.00 -0.19 -0.89 105.19 110.59 3dh3 n GLY 112 Ca -0.12 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 3dh3 n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dh3 s LEU 113 N 0.00 4.50 -0.24 0.99 2.96 -0.54 -0.01 118.68 126.33 3dh3 s LEU 113 Ca 0.00 2.41 -0.22 0.00 -0.22 0.00 0.00 54.13 56.10 3dh3 s LEU 113 Cb 0.00 -3.63 0.06 0.00 0.50 0.00 0.00 46.19 43.12 3dh3 s LEU 113 CO 0.00 -0.31 0.64 -0.51 -1.32 0.00 0.00 176.35 174.85 3dh3 s ILE 114 N -1.00 -0.00 0.26 6.68 2.07 -0.23 -4.82 121.20 124.16 3dh3 s ILE 114 Ca 0.47 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.60 3dh3 s ILE 114 Cb -0.35 -0.89 -0.08 0.00 0.13 0.00 0.00 42.46 41.28 3dh3 s ILE 114 CO 0.44 0.00 0.61 -0.36 -1.91 0.00 0.00 174.94 173.73 3dh3 s PHE 115 N 0.36 3.41 0.12 3.50 2.99 -1.26 0.18 117.98 127.27 3dh3 s PHE 115 Ca -0.00 0.98 0.08 0.00 0.00 0.00 0.00 56.93 57.99 3dh3 s PHE 115 Cb -0.04 -2.35 -0.04 0.00 0.00 0.00 0.00 43.02 40.59 3dh3 s PHE 115 CO 0.01 0.21 -0.19 -0.51 -0.00 0.00 0.00 175.22 174.73 3dh3 s LEU 116 N -2.89 2.35 0.19 -0.37 1.02 -0.30 -1.67 118.68 117.01 3dh3 s LEU 116 Ca 0.50 -0.75 -0.14 0.00 0.02 0.00 0.00 54.13 53.76 3dh3 s LEU 116 Cb -0.11 -0.83 0.01 0.00 0.02 0.00 0.00 46.19 45.28 3dh3 s LEU 116 CO 0.20 0.01 0.44 0.28 0.02 0.00 0.00 176.35 177.30 3dh3 s THR 117 N -1.50 0.04 -0.55 5.49 -1.32 0.10 -1.78 115.64 116.12 3dh3 s THR 117 Ca 0.09 -1.06 0.05 0.00 -1.21 0.00 0.00 61.69 59.56 3dh3 s THR 117 Cb -0.08 -1.74 0.10 0.00 -1.51 0.00 0.00 72.50 69.27 3dh3 s THR 117 CO 0.05 -0.17 0.91 -0.46 -2.21 0.00 0.00 174.62 172.74 3dh3 n ASN 118 N -0.30 1.99 -4.13 8.08 6.94 -1.14 0.82 115.26 127.51 3dh3 n ASN 118 Ca -0.08 -1.64 -0.37 0.00 -0.02 0.00 0.00 54.58 52.46 3dh3 n ASN 118 Cb 0.62 -0.06 -0.10 0.00 -2.36 0.00 0.00 39.78 37.88 3dh3 n ASN 118 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3dh3 s HIS 119 N -0.74 3.50 -2.00 -2.53 2.46 -1.26 -4.91 115.29 109.80 3dh3 s HIS 119 Ca 0.09 -2.43 0.17 0.00 0.47 0.00 0.00 55.06 53.36 3dh3 s HIS 119 Cb 0.05 -3.28 1.02 0.00 -0.13 0.00 0.00 32.58 30.25 3dh3 s HIS 119 CO 0.07 -0.93 1.43 0.41 -2.47 0.00 0.00 174.74 173.25 3dh3 n GLY 120 N 4.20 -0.56 0.10 1.59 0.00 -1.26 -2.83 105.19 106.43 3dh3 n GLY 120 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 3dh3 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dh3 h ASP 121 N 0.00 0.00 0.53 1.61 3.32 -2.02 -3.30 116.42 116.57 3dh3 h ASP 121 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3dh3 h ASP 121 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3dh3 h ASP 121 CO 0.00 0.73 -0.57 -0.07 -1.72 0.00 0.00 179.24 177.62 3dh3 h LEU 122 N 0.00 0.04 0.01 1.55 3.38 -1.97 -3.34 115.31 114.98 3dh3 h LEU 122 Ca -0.11 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3dh3 h LEU 122 Cb 1.65 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 3dh3 h LEU 122 CO 0.08 0.60 -0.35 0.58 0.09 0.00 0.00 178.44 179.44 3dh3 h VAL 123 N 0.03 0.00 0.00 1.22 2.07 -1.75 -0.66 116.25 117.16 3dh3 h VAL 123 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3dh3 h VAL 123 Cb 1.01 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3dh3 h VAL 123 CO 0.08 0.00 -0.13 0.78 0.02 0.00 0.00 177.57 178.31 3dh3 h ASN 124 N -0.44 0.00 0.13 0.57 2.35 -1.79 -1.88 115.58 114.52 3dh3 h ASN 124 Ca 0.01 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.59 3dh3 h ASN 124 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3dh3 h ASN 124 CO -0.22 0.13 -0.62 0.11 -1.65 0.00 0.00 177.43 175.18 3dh3 h LYS 125 N 0.00 0.48 0.07 0.81 1.57 -1.32 -1.84 116.57 116.34 3dh3 h LYS 125 Ca -0.00 -0.33 -0.26 0.00 -1.87 0.00 0.00 60.65 58.19 3dh3 h LYS 125 Cb 0.63 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3dh3 h LYS 125 CO 0.02 0.95 -1.26 0.82 -0.57 0.00 0.00 179.45 179.40 3dh3 h ILE 126 N 0.35 1.44 0.14 1.86 2.04 -1.01 -3.39 117.51 118.95 3dh3 h ILE 126 Ca -0.01 -3.10 -0.28 0.00 1.00 0.00 0.00 64.86 62.47 3dh3 h ILE 126 Cb 1.17 2.82 0.01 0.00 -0.74 0.00 0.00 36.82 40.08 3dh3 h ILE 126 CO 0.11 0.87 -1.36 -0.07 0.00 0.00 0.00 178.15 177.70 3dh3 h LEU 127 N 0.04 0.47 -9.61 1.44 4.07 -1.27 -3.43 115.31 107.01 3dh3 h LEU 127 Ca -0.13 -0.89 -0.52 0.00 0.08 0.00 0.00 57.88 56.42 3dh3 h LEU 127 Cb 1.91 -0.15 0.05 0.00 1.08 0.00 0.00 40.66 43.55 3dh3 h LEU 127 CO 0.16 1.61 1.03 -0.13 -1.08 0.00 0.00 178.44 180.02 3dh3 s ARG 128 N -2.49 4.14 0.34 1.13 0.52 -0.70 -4.78 118.95 117.10 3dh3 s ARG 128 Ca -0.17 2.58 0.08 0.00 -0.52 0.00 0.00 55.73 57.69 3dh3 s ARG 128 Cb 0.04 -3.22 0.77 0.00 0.52 0.00 0.00 34.95 33.06 3dh3 s ARG 128 CO 0.80 -0.76 1.85 0.00 0.02 0.00 0.00 175.30 177.21 3dh3 h ALA 129 N 7.26 1.77 -0.95 2.13 0.00 -1.92 -0.03 119.26 127.53 3dh3 h ALA 129 Ca -0.44 0.03 0.25 0.00 0.00 0.00 0.00 54.91 54.75 3dh3 h ALA 129 Cb 1.20 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 3dh3 h ALA 129 CO 0.95 -0.04 0.65 0.78 0.00 0.00 0.00 179.25 181.60 3dh3 h GLY 130 N 0.75 0.54 0.48 0.00 0.00 -1.89 -0.80 103.07 102.15 3dh3 h GLY 130 Ca 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3dh3 h GLY 130 CO -0.24 -0.03 -0.03 0.70 0.00 0.00 0.00 176.54 176.95 3dh3 n ASN 131 N -4.41 0.62 -3.90 0.19 3.02 -0.03 -4.94 115.26 105.81 3dh3 n ASN 131 Ca 0.21 -1.06 -0.37 0.00 -0.03 0.00 0.00 54.58 53.32 3dh3 n ASN 131 Cb 0.88 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 40.06 3dh3 n ASN 131 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dh3 n ASP 132 N -0.59 -4.03 -4.41 6.41 2.03 -0.31 -4.97 116.55 110.68 3dh3 n ASP 132 Ca 0.20 -1.15 -0.33 0.00 0.52 0.00 0.00 54.79 54.03 3dh3 n ASP 132 Cb 0.23 -2.55 -0.14 0.00 -0.72 0.00 0.00 41.12 37.95 3dh3 n ASP 132 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3dh3 s HIS 133 N -3.59 2.84 0.02 -0.67 3.76 -1.26 -5.07 115.29 111.33 3dh3 s HIS 133 Ca 0.42 -0.53 -0.18 0.00 -0.15 0.00 0.00 55.06 54.61 3dh3 s HIS 133 Cb -0.19 -1.85 -0.06 0.00 1.11 0.00 0.00 32.58 31.60 3dh3 s HIS 133 CO 0.92 -0.14 0.52 -1.83 -0.85 0.00 0.00 174.74 173.36 3dh3 s GLU 134 N 0.25 4.16 -0.06 1.40 -1.05 -1.26 -4.30 118.70 117.83 3dh3 s GLU 134 Ca -0.08 0.62 0.03 0.00 -0.15 0.00 0.00 54.97 55.40 3dh3 s GLU 134 Cb -0.15 -3.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.27 3dh3 s GLU 134 CO 0.05 0.56 -0.16 -1.59 0.95 0.00 0.00 175.26 175.07 3dh3 s LYS 135 N -0.77 1.95 -0.11 -4.83 0.00 0.43 -0.28 119.74 116.13 3dh3 s LYS 135 Ca 0.28 -0.56 -0.01 0.00 0.00 0.00 0.00 55.97 55.67 3dh3 s LYS 135 Cb -0.18 -1.60 -0.03 0.00 0.00 0.00 0.00 37.83 36.02 3dh3 s LYS 135 CO 0.16 0.14 -0.07 -2.00 0.00 0.00 0.00 175.35 173.58 3dh3 s GLU 136 N 0.36 3.14 0.03 1.78 2.12 0.41 -1.40 118.70 125.14 3dh3 s GLU 136 Ca -0.11 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.71 3dh3 s GLU 136 Cb -0.14 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 3dh3 s GLU 136 CO 0.04 0.46 -0.15 0.71 -0.54 0.00 0.00 175.26 175.78 3dh3 s TYR 137 N -0.25 1.35 -0.24 5.30 1.51 0.14 -1.02 117.35 124.13 3dh3 s TYR 137 Ca 0.03 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3dh3 s TYR 137 Cb -0.13 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3dh3 s TYR 137 CO 0.03 0.03 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.29 3dh3 s LEU 138 N -0.94 3.11 -0.08 -1.29 2.96 0.17 -0.48 118.68 122.13 3dh3 s LEU 138 Ca 0.04 -0.64 0.05 0.00 -0.22 0.00 0.00 54.13 53.35 3dh3 s LEU 138 Cb -0.07 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 3dh3 s LEU 138 CO 0.01 -0.09 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.03 3dh3 s VAL 139 N 1.41 1.96 -0.09 1.68 1.01 0.47 -1.48 120.40 125.36 3dh3 s VAL 139 Ca 0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 3dh3 s VAL 139 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3dh3 s VAL 139 CO -0.03 0.54 -0.06 -0.89 0.00 0.00 0.00 175.10 174.65 3dh3 s THR 140 N 0.13 3.71 0.34 3.92 2.01 -0.10 -1.01 115.64 124.64 3dh3 s THR 140 Ca -0.11 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.50 3dh3 s THR 140 Cb -0.16 -2.54 -0.07 0.00 0.01 0.00 0.00 72.50 69.74 3dh3 s THR 140 CO 0.06 0.57 -0.03 0.68 -0.69 0.00 0.00 174.62 175.21 3dh3 s VAL 141 N -0.48 1.84 -0.03 3.82 -7.23 -0.50 0.12 120.40 117.94 3dh3 s VAL 141 Ca 0.07 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 57.99 3dh3 s VAL 141 Cb -0.12 -2.70 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 3dh3 s VAL 141 CO 0.02 -0.15 0.67 -2.24 -0.31 0.00 0.00 175.10 173.09 3dh3 h ASP 142 N 2.05 -0.46 -4.36 4.85 2.03 -1.72 -3.45 116.42 115.36 3dh3 h ASP 142 Ca -0.42 0.02 -0.48 0.00 -0.73 0.00 0.00 57.03 55.41 3dh3 h ASP 142 Cb 1.24 0.12 0.10 0.00 -0.83 0.00 0.00 39.33 39.97 3dh3 h ASP 142 CO 0.72 -0.08 0.36 -0.54 -1.03 0.00 0.00 179.24 178.67 3dh3 s LYS 143 N -3.36 2.19 0.29 4.15 1.02 -1.26 -5.04 119.74 117.73 3dh3 s LYS 143 Ca -0.08 0.52 -0.28 0.00 0.02 0.00 0.00 55.97 56.15 3dh3 s LYS 143 Cb 0.01 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 3dh3 s LYS 143 CO 0.24 -1.52 1.04 -2.14 -0.92 0.00 0.00 175.35 172.05 3dh3 s PRO 144 N -5.25 4.62 -0.25 -1.68 0.02 -1.26 -4.78 135.00 126.41 3dh3 s PRO 144 Ca 0.60 1.63 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 3dh3 s PRO 144 Cb -0.13 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 3dh3 s PRO 144 CO 0.53 0.24 1.40 0.42 -0.33 0.00 0.00 177.00 179.27 3dh3 s ILE 145 N -1.29 4.00 0.66 2.83 1.01 -0.09 -5.03 121.20 123.31 3dh3 s ILE 145 Ca 0.46 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 62.25 3dh3 s ILE 145 Cb -0.28 -3.97 0.08 0.00 0.01 0.00 0.00 42.46 38.31 3dh3 s ILE 145 CO 0.35 -0.35 0.92 0.42 0.00 0.00 0.00 174.94 176.28 3dh3 s THR 146 N 4.48 2.35 -0.12 2.92 -4.23 -1.26 -5.01 115.64 114.78 3dh3 s THR 146 Ca 0.61 -0.56 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 3dh3 s THR 146 Cb -0.20 -2.79 -0.27 0.00 1.34 0.00 0.00 72.50 70.58 3dh3 s THR 146 CO 0.24 0.00 0.74 -0.33 -0.54 0.00 0.00 174.62 174.72 3dh3 h GLU 147 N -0.34 0.10 -0.31 3.99 5.08 -1.98 -2.42 114.58 118.70 3dh3 h GLU 147 Ca -0.40 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 57.86 3dh3 h GLU 147 Cb 1.28 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.54 3dh3 h GLU 147 CO 0.47 1.08 -0.06 -1.91 -1.00 0.00 0.00 179.01 177.59 3dh3 n GLU 148 N -4.41 -0.03 0.14 2.33 4.07 -1.26 0.58 120.64 122.07 3dh3 n GLU 148 Ca -0.14 0.48 -0.06 0.00 -0.06 0.00 0.00 57.16 57.37 3dh3 n GLU 148 Cb 0.63 -0.72 -0.03 0.00 -0.06 0.00 0.00 31.44 31.26 3dh3 n GLU 148 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 3dh3 h PHE 149 N 0.00 -0.37 -0.85 4.31 3.57 -1.95 -2.28 116.94 119.38 3dh3 h PHE 149 Ca 0.15 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.82 3dh3 h PHE 149 Cb 0.25 0.12 -0.11 0.00 2.79 0.00 0.00 35.95 39.01 3dh3 h PHE 149 CO -0.22 -0.23 0.38 0.82 -2.23 0.00 0.00 178.31 176.83 3dh3 h ILE 150 N -0.82 0.61 0.77 1.41 2.04 -0.46 0.92 117.51 121.97 3dh3 h ILE 150 Ca -0.04 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3dh3 h ILE 150 Cb 0.30 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3dh3 h ILE 150 CO 0.07 0.09 -0.37 -0.09 0.00 0.00 0.00 178.15 177.85 3dh3 h ARG 151 N 0.49 -0.99 0.00 2.37 2.43 0.06 -1.36 114.38 117.38 3dh3 h ARG 151 Ca 0.49 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.72 3dh3 h ARG 151 Cb 0.81 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3dh3 h ARG 151 CO -0.44 -0.64 -0.03 0.78 -1.51 0.00 0.00 179.97 178.12 3dh3 h GLY 152 N -1.20 0.00 0.83 2.80 0.00 -0.84 -0.05 103.07 104.60 3dh3 h GLY 152 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 3dh3 h GLY 152 CO 0.17 0.00 -0.57 1.98 0.00 0.00 0.00 176.54 178.13 3dh3 h MET 153 N 0.00 0.46 0.00 4.80 1.85 -0.80 -3.11 114.93 118.13 3dh3 h MET 153 Ca -0.00 -0.44 -0.00 0.00 -0.61 0.00 0.00 59.70 58.65 3dh3 h MET 153 Cb 0.07 0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.21 3dh3 h MET 153 CO 0.00 1.08 -0.01 1.03 -0.40 0.00 0.00 176.91 178.62 3dh3 h SER 154 N -0.01 0.00 -0.54 1.39 0.87 0.10 -3.08 113.55 112.28 3dh3 h SER 154 Ca -0.06 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.44 3dh3 h SER 154 Cb 1.25 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.17 3dh3 h SER 154 CO 0.11 0.01 0.08 0.00 -0.53 0.00 0.00 176.83 176.50 3dh3 n ALA 155 N -2.27 3.90 -1.09 6.23 0.00 -0.20 -1.56 120.51 125.51 3dh3 n ALA 155 Ca -0.03 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.67 3dh3 n ALA 155 Cb 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3dh3 n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dh3 n GLY 156 N 0.32 -4.31 3.27 0.00 0.00 -1.17 -4.82 105.19 98.49 3dh3 n GLY 156 Ca 0.28 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 3dh3 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dh3 s VAL 157 N -0.22 1.76 -0.60 1.61 0.11 -1.25 -4.79 120.40 117.03 3dh3 s VAL 157 Ca 0.00 -1.26 -0.24 0.00 -2.93 0.00 0.00 61.98 57.55 3dh3 s VAL 157 Cb 0.00 -1.53 0.05 0.00 -1.53 0.00 0.00 36.38 33.36 3dh3 s VAL 157 CO 0.00 0.22 0.98 -2.16 -3.33 0.00 0.00 175.10 170.81 3dh3 s PRO 158 N -1.24 3.27 0.00 1.54 0.04 -1.26 -0.58 135.00 136.77 3dh3 s PRO 158 Ca 0.08 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.73 3dh3 s PRO 158 Cb -0.09 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.34 3dh3 s PRO 158 CO 0.02 -1.63 0.00 0.44 0.04 0.00 0.00 177.00 175.87 3dh3 n ILE 159 N 6.16 0.00 -2.20 0.56 -5.35 -0.14 -4.87 119.36 113.52 3dh3 n ILE 159 Ca 0.01 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.06 3dh3 n ILE 159 Cb 0.47 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 3dh3 n ILE 159 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3dh3 n LEU 160 N 0.00 6.05 -1.81 7.28 4.77 -1.26 -3.97 117.00 128.05 3dh3 n LEU 160 Ca 0.00 -4.16 -0.17 0.00 -0.03 0.00 0.00 56.01 51.66 3dh3 n LEU 160 Cb 0.00 -1.66 -0.05 0.00 -2.33 0.00 0.00 43.42 39.38 3dh3 n LEU 160 CO 0.00 0.79 -0.18 0.61 -1.33 0.00 0.00 177.39 177.28 3dh3 n GLY 161 N 4.37 0.87 0.00 -0.72 0.00 -1.26 -4.85 105.19 103.60 3dh3 n GLY 161 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3dh3 n GLY 161 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dh3 n THR 162 N -2.67 0.00 -4.16 2.61 5.66 -1.25 -5.17 114.28 109.29 3dh3 n THR 162 Ca -0.18 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.66 3dh3 n THR 162 Cb 0.59 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.23 3dh3 n THR 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3dh3 s VAL 163 N -2.71 0.43 0.37 1.08 -7.23 -1.26 -0.97 120.40 110.11 3dh3 s VAL 163 Ca 0.00 -0.29 -0.28 0.00 -1.81 0.00 0.00 61.98 59.60 3dh3 s VAL 163 Cb 0.00 -0.38 -0.10 0.00 0.56 0.00 0.00 36.38 36.46 3dh3 s VAL 163 CO 0.00 0.09 1.35 0.42 -0.31 0.00 0.00 175.10 176.65 3dh3 s THR 164 N -0.21 2.51 0.32 5.32 -4.23 0.26 -4.85 115.64 114.75 3dh3 s THR 164 Ca 0.01 0.49 -0.29 0.00 -1.18 0.00 0.00 61.69 60.72 3dh3 s THR 164 Cb -0.03 -3.30 -0.12 0.00 1.34 0.00 0.00 72.50 70.39 3dh3 s THR 164 CO -0.00 0.10 1.42 1.17 -0.54 0.00 0.00 174.62 176.77 3dh3 n LYS 165 N 0.47 2.36 -0.68 3.99 4.81 -1.26 -3.84 118.16 124.00 3dh3 n LYS 165 Ca 0.02 0.83 -0.30 0.00 -0.87 0.00 0.00 58.31 57.98 3dh3 n LYS 165 Cb 0.42 -2.50 0.18 0.00 0.02 0.00 0.00 35.03 33.14 3dh3 n LYS 165 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3dh3 s LYS 166 N -1.33 0.67 -0.01 1.64 -2.85 -1.26 -4.52 119.74 112.09 3dh3 s LYS 166 Ca 0.59 1.40 -0.28 0.00 -1.00 0.00 0.00 55.97 56.68 3dh3 s LYS 166 Cb -0.55 -1.70 0.10 0.00 -2.06 0.00 0.00 37.83 33.62 3dh3 s LYS 166 CO 0.57 -2.82 1.28 0.00 0.10 0.00 0.00 175.35 174.48 3dh3 s LYS 168 N -2.06 4.29 -0.10 0.00 3.01 -1.21 -4.55 119.74 119.11 3dh3 s LYS 168 Ca 0.28 1.42 -0.01 0.00 -1.01 0.00 0.00 55.97 56.65 3dh3 s LYS 168 Cb -0.00 -3.64 0.03 0.00 -1.01 0.00 0.00 37.83 33.21 3dh3 s LYS 168 CO -0.01 -0.58 -0.02 0.08 0.51 0.00 0.00 175.35 175.33 3dh3 s VAL 169 N 3.01 0.63 -0.04 3.17 1.01 -1.26 -1.26 120.40 125.66 3dh3 s VAL 169 Ca 0.47 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3dh3 s VAL 169 Cb -0.17 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 3dh3 s VAL 169 CO 0.10 0.24 -0.18 -0.75 0.00 0.00 0.00 175.10 174.51 3dh3 s LYS 170 N 1.86 1.84 0.49 2.72 2.20 -0.35 -4.94 119.74 123.56 3dh3 s LYS 170 Ca 0.04 -0.63 -0.20 0.00 -0.36 0.00 0.00 55.97 54.82 3dh3 s LYS 170 Cb -0.13 -1.60 -0.08 0.00 -1.51 0.00 0.00 37.83 34.51 3dh3 s LYS 170 CO -0.07 0.26 1.03 0.21 -0.36 0.00 0.00 175.35 176.42 3dh3 s LYS 171 N 0.01 3.82 0.09 4.03 2.20 -1.26 0.03 119.74 128.67 3dh3 s LYS 171 Ca -0.04 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 3dh3 s LYS 171 Cb -0.12 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 3dh3 s LYS 171 CO 0.02 -0.41 0.00 0.39 -0.36 0.00 0.00 175.35 174.99 3dh3 n GLU 172 N -1.01 0.00 -4.46 4.03 -0.58 0.05 -4.82 120.64 113.84 3dh3 n GLU 172 Ca 0.09 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.52 3dh3 n GLU 172 Cb 0.53 -0.32 -0.05 0.00 -0.57 0.00 0.00 31.44 31.02 3dh3 n GLU 172 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dh3 s ALA 173 N -2.00 4.19 -0.54 0.62 0.00 -0.65 -4.98 121.76 118.41 3dh3 s ALA 173 Ca 0.00 -0.73 0.24 0.00 0.00 0.00 0.00 51.96 51.46 3dh3 s ALA 173 Cb 0.00 -0.23 0.95 0.00 0.00 0.00 0.00 23.12 23.84 3dh3 s ALA 173 CO 0.00 -0.16 1.72 -0.35 0.00 0.00 0.00 175.76 176.97 3dh3 n PRO 174 N -1.42 0.20 0.00 0.00 -0.04 -1.26 -3.13 135.00 129.35 3dh3 n PRO 174 Ca -0.13 0.38 0.01 0.00 -0.04 0.00 0.00 63.50 63.72 3dh3 n PRO 174 Cb 0.66 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 3dh3 n PRO 174 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dh3 n PHE 175 N -2.22 0.00 -4.55 0.54 3.01 -1.26 -0.91 117.46 112.06 3dh3 n PHE 175 Ca 0.03 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.25 3dh3 n PHE 175 Cb 0.26 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.57 3dh3 n PHE 175 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3dh3 s VAL 176 N -0.45 1.06 0.12 -4.37 1.01 -1.18 -1.41 120.40 115.18 3dh3 s VAL 176 Ca 0.02 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3dh3 s VAL 176 Cb 0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3dh3 s VAL 176 CO 0.04 0.33 -0.16 0.72 0.00 0.00 0.00 175.10 176.03 3dh3 s PHE 177 N 0.50 1.50 -0.08 5.22 -0.12 -0.18 -0.77 117.98 124.04 3dh3 s PHE 177 Ca -0.10 -0.51 -0.05 0.00 -0.05 0.00 0.00 56.93 56.21 3dh3 s PHE 177 Cb -0.14 -0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 41.42 3dh3 s PHE 177 CO 0.03 0.17 0.15 0.50 -0.05 0.00 0.00 175.22 176.02 3dh3 s ARG 178 N -2.44 3.43 -0.06 1.99 3.52 0.11 -0.39 118.95 125.11 3dh3 s ARG 178 Ca 0.08 -0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 3dh3 s ARG 178 Cb -0.07 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3dh3 s ARG 178 CO 0.04 0.74 0.13 -1.50 -0.81 0.00 0.00 175.30 173.90 3dh3 s ILE 179 N -1.13 -0.03 -0.18 4.11 2.07 0.36 -1.21 121.20 125.19 3dh3 s ILE 179 Ca 0.19 0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 59.55 3dh3 s ILE 179 Cb -0.12 -0.21 -0.00 0.00 0.13 0.00 0.00 42.46 42.26 3dh3 s ILE 179 CO 0.09 0.05 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.16 3dh3 s THR 180 N 0.82 2.88 0.30 4.00 2.01 -0.39 0.25 115.64 125.51 3dh3 s THR 180 Ca -0.06 -0.68 0.09 0.00 0.31 0.00 0.00 61.69 61.34 3dh3 s THR 180 Cb -0.08 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 3dh3 s THR 180 CO -0.04 0.49 0.07 -0.76 -0.69 0.00 0.00 174.62 173.69 3dh3 s LEU 181 N 1.06 3.24 0.00 4.42 1.43 -0.50 -3.33 118.68 125.00 3dh3 s LEU 181 Ca -0.00 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3dh3 s LEU 181 Cb -0.15 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3dh3 s LEU 181 CO -0.03 -0.16 0.57 0.55 0.23 0.00 0.00 176.35 177.51 3dh3 n VAL 182 N -1.03 0.20 -4.03 -1.59 3.14 -1.26 -0.43 118.33 113.33 3dh3 n VAL 182 Ca -0.05 -0.56 -0.01 0.00 -2.96 0.00 0.00 64.34 60.76 3dh3 n VAL 182 Cb 0.60 0.97 -0.00 0.00 -1.06 0.00 0.00 33.84 34.34 3dh3 n VAL 182 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dh3 n GLN 183 N -0.10 0.70 -2.71 1.45 10.64 -1.26 -4.12 117.38 121.97 3dh3 n GLN 183 Ca 0.00 -0.21 -0.07 0.00 -1.83 0.00 0.00 57.00 54.89 3dh3 n GLN 183 Cb 0.07 0.13 0.08 0.00 -0.86 0.00 0.00 30.24 29.66 3dh3 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dh3 n GLY 184 N 1.61 -0.39 3.70 2.61 0.00 -1.26 -4.96 105.19 106.50 3dh3 n GLY 184 Ca -0.00 0.39 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 3dh3 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dh3 s LEU 185 N -1.18 2.68 -0.05 0.99 1.43 -1.26 -4.83 118.68 116.46 3dh3 s LEU 185 Ca 0.26 1.89 -0.32 0.00 -1.03 0.00 0.00 54.13 54.93 3dh3 s LEU 185 Cb 0.26 -4.36 -0.10 0.00 0.03 0.00 0.00 46.19 42.02 3dh3 s LEU 185 CO -0.15 -2.70 1.98 -3.20 0.23 0.00 0.00 176.35 172.52 3dh3 n ASN 186 N -3.95 3.74 -3.00 2.29 2.85 -1.26 -1.42 115.26 114.52 3dh3 n ASN 186 Ca 0.09 0.83 -0.18 0.00 -0.11 0.00 0.00 54.58 55.22 3dh3 n ASN 186 Cb 0.53 -1.46 -0.00 0.00 1.24 0.00 0.00 39.78 40.08 3dh3 n ASN 186 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3dh3 n ARG 187 N 7.38 -2.96 -0.25 1.20 1.74 -1.26 -4.84 116.66 117.67 3dh3 n ARG 187 Ca 0.23 0.47 -0.13 0.00 -0.77 0.00 0.00 57.85 57.66 3dh3 n ARG 187 Cb 0.36 -5.13 -0.10 0.00 -1.02 0.00 0.00 32.46 26.58 3dh3 n ARG 187 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3dh3 h GLN 188 N -0.57 -0.23 -0.76 5.56 4.15 -1.58 -1.00 115.11 120.67 3dh3 h GLN 188 Ca -0.35 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.07 3dh3 h GLN 188 Cb 1.24 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.95 3dh3 h GLN 188 CO 0.43 -0.15 0.42 0.82 -1.93 0.00 0.00 178.83 178.42 3dh3 h ILE 189 N -0.24 1.23 -0.92 2.39 2.04 -1.88 0.12 117.51 120.25 3dh3 h ILE 189 Ca 0.11 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.45 3dh3 h ILE 189 Cb 0.52 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3dh3 h ILE 189 CO -0.74 0.25 0.60 0.03 0.00 0.00 0.00 178.15 178.29 3dh3 h ARG 190 N 1.05 1.11 -0.09 2.37 3.08 -1.60 -0.93 114.38 119.37 3dh3 h ARG 190 Ca 0.27 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 60.05 3dh3 h ARG 190 Cb 0.02 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3dh3 h ARG 190 CO -0.04 0.74 -0.76 0.00 -1.07 0.00 0.00 179.97 178.83 3dh3 h ARG 191 N 1.15 0.50 -0.45 0.04 3.08 -0.22 -2.39 114.38 116.08 3dh3 h ARG 191 Ca 0.37 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3dh3 h ARG 191 Cb 0.02 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3dh3 h ARG 191 CO -0.13 1.05 0.16 0.52 -1.07 0.00 0.00 179.97 180.51 3dh3 h MET 192 N 0.34 0.69 -0.44 0.04 2.86 -0.27 -2.60 114.93 115.55 3dh3 h MET 192 Ca -0.04 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3dh3 h MET 192 Cb 1.35 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 3dh3 h MET 192 CO 0.14 0.65 0.19 0.00 1.06 0.00 0.00 176.91 178.94 3dh3 h GLU 194 N 0.57 0.92 -0.93 0.00 5.08 -1.04 0.18 114.58 119.36 3dh3 h GLU 194 Ca 0.15 -0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.60 3dh3 h GLU 194 Cb 0.17 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.12 3dh3 h GLU 194 CO -0.01 0.61 0.54 1.25 -1.00 0.00 0.00 179.01 180.39 3dh3 h HIS 195 N 0.95 0.96 -0.45 4.33 2.76 -1.09 0.29 115.15 122.89 3dh3 h HIS 195 Ca 0.41 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.60 3dh3 h HIS 195 Cb 0.34 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 3dh3 h HIS 195 CO -0.00 0.29 0.02 1.19 -1.30 0.00 0.00 177.93 178.13 3dh3 n PHE 196 N -4.76 1.62 -0.93 5.26 0.99 0.55 -4.91 117.46 115.28 3dh3 n PHE 196 Ca 0.19 -0.59 0.00 0.00 -0.00 0.00 0.00 57.45 57.05 3dh3 n PHE 196 Cb 0.43 -0.43 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3dh3 n PHE 196 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dh3 n GLY 197 N 0.42 0.39 3.91 1.37 0.00 0.09 -5.00 105.19 106.37 3dh3 n GLY 197 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3dh3 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dh3 s TYR 198 N -1.99 3.48 -0.07 1.61 1.51 -0.79 -4.90 117.35 116.20 3dh3 s TYR 198 Ca 0.00 0.49 0.03 0.00 -1.01 0.00 0.00 57.07 56.57 3dh3 s TYR 198 Cb 0.00 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3dh3 s TYR 198 CO 0.00 0.36 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.66 3dh3 s GLU 199 N -3.10 1.88 0.21 -0.62 2.12 -1.26 -2.36 118.70 115.57 3dh3 s GLU 199 Ca 0.41 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 3dh3 s GLU 199 Cb -0.11 -1.53 -0.08 0.00 0.26 0.00 0.00 34.13 32.66 3dh3 s GLU 199 CO 0.27 0.08 1.20 0.08 -0.54 0.00 0.00 175.26 176.35 3dh3 s VAL 200 N 0.53 3.47 -0.08 3.70 1.01 -1.26 -2.03 120.40 125.74 3dh3 s VAL 200 Ca -0.14 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.19 3dh3 s VAL 200 Cb -0.15 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3dh3 s VAL 200 CO 0.04 0.23 0.02 0.29 0.00 0.00 0.00 175.10 175.67 3dh3 n LYS 201 N 2.19 2.54 -3.90 2.72 4.76 0.32 -4.91 118.16 121.88 3dh3 n LYS 201 Ca 0.03 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.37 3dh3 n LYS 201 Cb 0.44 -1.19 -0.10 0.00 -1.84 0.00 0.00 35.03 32.34 3dh3 n LYS 201 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3dh3 s LYS 202 N -2.18 0.49 -0.26 1.97 2.20 -1.02 -4.95 119.74 115.98 3dh3 s LYS 202 Ca -0.05 -0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 55.04 3dh3 s LYS 202 Cb 0.02 0.20 0.15 0.00 -1.51 0.00 0.00 37.83 36.69 3dh3 s LYS 202 CO 0.30 -0.12 0.42 -1.17 -0.36 0.00 0.00 175.35 174.43 3dh3 s LEU 203 N -1.56 -0.80 -0.10 5.43 2.96 -1.26 -0.92 118.68 122.43 3dh3 s LEU 203 Ca -0.13 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3dh3 s LEU 203 Cb -0.07 1.31 0.02 0.00 0.50 0.00 0.00 46.19 47.96 3dh3 s LEU 203 CO -0.00 -0.30 -0.10 -0.70 -1.32 0.00 0.00 176.35 173.94 3dh3 s GLU 204 N 2.60 1.64 -0.13 1.98 2.12 -0.55 -1.03 118.70 125.33 3dh3 s GLU 204 Ca 0.14 -0.33 -0.19 0.00 0.36 0.00 0.00 54.97 54.95 3dh3 s GLU 204 Cb -0.15 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 3dh3 s GLU 204 CO -0.18 -0.17 0.52 0.50 -0.54 0.00 0.00 175.26 175.39 3dh3 s ARG 205 N 1.35 4.32 0.00 4.30 3.52 -0.07 0.41 118.95 132.78 3dh3 s ARG 205 Ca -0.01 0.50 0.10 0.00 -0.13 0.00 0.00 55.73 56.20 3dh3 s ARG 205 Cb -0.14 -3.47 -0.11 0.00 -1.56 0.00 0.00 34.95 29.68 3dh3 s ARG 205 CO -0.05 0.06 0.46 0.25 -0.81 0.00 0.00 175.30 175.22 3dh3 n THR 206 N 3.92 0.00 -3.64 4.11 -2.24 -0.19 -1.47 114.28 114.77 3dh3 n THR 206 Ca -0.06 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 3dh3 n THR 206 Cb 0.51 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 3dh3 n THR 206 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dh3 s ARG 207 N -1.95 0.52 -0.17 -0.78 3.52 -1.20 -1.58 118.95 117.31 3dh3 s ARG 207 Ca 0.04 0.72 0.01 0.00 -0.13 0.00 0.00 55.73 56.37 3dh3 s ARG 207 Cb 0.08 0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.69 3dh3 s ARG 207 CO 0.42 -0.08 -0.20 0.42 -0.81 0.00 0.00 175.30 175.05 3dh3 s ILE 208 N 0.69 2.09 0.00 4.11 1.01 0.40 -0.44 121.20 129.06 3dh3 s ILE 208 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3dh3 s ILE 208 Cb -0.05 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.56 3dh3 s ILE 208 CO -0.09 0.54 0.00 0.23 0.00 0.00 0.00 174.94 175.62 3dh3 n MET 209 N 4.46 0.00 0.00 2.79 2.81 0.61 0.29 117.12 128.08 3dh3 n MET 209 Ca -0.21 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.82 3dh3 n MET 209 Cb 0.50 0.00 0.55 0.00 -0.71 0.00 0.00 33.22 33.56 3dh3 n MET 209 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3dh3 n ASN 210 N 3.29 0.14 -4.74 7.83 6.94 -1.26 -4.85 115.26 122.60 3dh3 n ASN 210 Ca 0.00 0.23 -0.30 0.00 -0.02 0.00 0.00 54.58 54.49 3dh3 n ASN 210 Cb 0.00 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.06 3dh3 n ASN 210 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3dh3 s VAL 211 N -2.94 4.35 0.07 3.53 1.01 0.14 -5.02 120.40 121.54 3dh3 s VAL 211 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3dh3 s VAL 211 Cb 0.19 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3dh3 s VAL 211 CO 0.56 0.12 -0.04 -0.94 0.00 0.00 0.00 175.10 174.80 3dh3 s SER 212 N -2.36 0.73 0.47 3.32 1.04 -1.26 -0.45 113.70 115.19 3dh3 s SER 212 Ca 0.28 -0.97 0.21 0.00 0.48 0.00 0.00 55.95 55.95 3dh3 s SER 212 Cb -0.12 0.15 1.22 0.00 0.10 0.00 0.00 66.02 67.37 3dh3 s SER 212 CO 0.21 -0.53 1.93 -0.07 0.98 0.00 0.00 173.24 175.76 3dh3 h LEU 213 N 3.18 0.22 -8.52 2.42 3.38 -1.59 -3.45 115.31 110.94 3dh3 h LEU 213 Ca -0.34 0.02 -0.79 0.00 0.09 0.00 0.00 57.88 56.85 3dh3 h LEU 213 Cb 1.15 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.90 3dh3 h LEU 213 CO 0.64 0.11 0.36 -0.24 0.09 0.00 0.00 178.44 179.39 3dh3 n SER 214 N -4.42 0.57 0.00 -0.43 2.88 -1.26 -0.26 113.62 110.69 3dh3 n SER 214 Ca 0.14 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 3dh3 n SER 214 Cb 0.63 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 3dh3 n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dh3 n GLY 215 N 2.61 0.70 3.25 0.46 0.00 -1.26 -4.97 105.19 105.97 3dh3 n GLY 215 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3dh3 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh3 s ILE 216 N -2.85 4.64 0.74 -0.61 1.01 0.64 -5.06 121.20 119.70 3dh3 s ILE 216 Ca 0.00 -1.88 -0.15 0.00 0.00 0.00 0.00 60.65 58.62 3dh3 s ILE 216 Cb 0.00 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.50 3dh3 s ILE 216 CO 0.00 -0.84 1.11 -0.81 0.00 0.00 0.00 174.94 174.40 3dh3 n PRO 217 N 4.78 0.51 -1.62 2.79 -0.04 -1.26 -4.74 135.00 135.42 3dh3 n PRO 217 Ca -0.06 0.24 -0.46 0.00 -0.04 0.00 0.00 63.50 63.18 3dh3 n PRO 217 Cb 0.41 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 3dh3 n PRO 217 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3dh3 n LEU 218 N -2.27 2.28 -0.30 1.53 7.94 -1.26 -1.93 117.00 123.00 3dh3 n LEU 218 Ca 0.14 1.16 -0.04 0.00 -1.11 0.00 0.00 56.01 56.16 3dh3 n LEU 218 Cb 0.49 -1.33 -0.02 0.00 0.53 0.00 0.00 43.42 43.10 3dh3 n LEU 218 CO 0.48 -1.01 -0.04 0.61 -1.11 0.00 0.00 177.39 176.33 3dh3 n GLY 219 N 1.71 0.67 3.41 -3.96 0.00 0.03 -5.00 105.19 102.05 3dh3 n GLY 219 Ca 0.11 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 3dh3 n GLY 219 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dh3 s GLU 220 N -1.86 1.50 0.07 1.61 0.41 -0.81 -4.93 118.70 114.68 3dh3 s GLU 220 Ca 0.00 -1.68 -0.10 0.00 -0.41 0.00 0.00 54.97 52.78 3dh3 s GLU 220 Cb 0.00 -1.44 0.01 0.00 -1.78 0.00 0.00 34.13 30.92 3dh3 s GLU 220 CO 0.00 0.26 0.22 1.67 -0.49 0.00 0.00 175.26 176.92 3dh3 s TRP 221 N -2.74 0.06 0.15 1.61 1.48 -1.26 -1.31 118.94 116.93 3dh3 s TRP 221 Ca 0.26 -0.37 -0.15 0.00 -1.06 0.00 0.00 56.10 54.78 3dh3 s TRP 221 Cb -0.03 -0.01 0.02 0.00 -1.16 0.00 0.00 33.47 32.30 3dh3 s TRP 221 CO 0.11 -0.51 0.40 -0.98 -4.06 0.00 0.00 176.95 171.91 3dh3 s ARG 222 N -3.23 1.16 0.78 3.25 1.70 -0.80 -4.97 118.95 116.84 3dh3 s ARG 222 Ca -0.00 -0.85 -0.11 0.00 -0.47 0.00 0.00 55.73 54.30 3dh3 s ARG 222 Cb 0.02 0.46 0.06 0.00 -0.57 0.00 0.00 34.95 34.92 3dh3 s ARG 222 CO -0.08 -0.46 1.08 -0.51 -1.08 0.00 0.00 175.30 174.26 3dh3 s ASP 223 N -2.86 4.55 0.10 -2.89 1.01 -1.26 -0.09 116.67 115.23 3dh3 s ASP 223 Ca 0.07 1.69 -0.30 0.00 0.71 0.00 0.00 52.55 54.72 3dh3 s ASP 223 Cb 0.01 -2.43 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 3dh3 s ASP 223 CO -0.07 -1.99 0.98 -0.76 0.21 0.00 0.00 175.17 173.54 3dh3 s LEU 224 N -5.87 4.48 0.37 1.23 1.43 -1.02 -4.77 118.68 114.53 3dh3 s LEU 224 Ca 0.61 1.80 -0.28 0.00 -1.03 0.00 0.00 54.13 55.23 3dh3 s LEU 224 Cb -0.16 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.36 3dh3 s LEU 224 CO 0.56 -0.11 1.43 0.42 0.23 0.00 0.00 176.35 178.88 3dh3 s THR 225 N 0.14 2.23 0.44 5.49 -4.23 -1.26 -4.65 115.64 113.81 3dh3 s THR 225 Ca 0.48 0.23 0.31 0.00 -1.18 0.00 0.00 61.69 61.53 3dh3 s THR 225 Cb -0.23 -3.15 0.50 0.00 1.34 0.00 0.00 72.50 70.96 3dh3 s THR 225 CO 0.30 0.05 1.61 0.44 -0.54 0.00 0.00 174.62 176.48 3dh3 h ASP 226 N 3.03 0.22 0.00 3.99 5.19 -1.97 0.15 116.42 127.03 3dh3 h ASP 226 Ca -0.50 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 3dh3 h ASP 226 Cb 1.24 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.88 3dh3 h ASP 226 CO 0.64 -0.21 0.00 0.47 -3.12 0.00 0.00 179.24 177.02 3dh3 n ASP 227 N -4.69 0.00 -0.32 6.45 8.00 -1.26 0.32 116.55 125.04 3dh3 n ASP 227 Ca 0.38 0.88 0.11 0.00 0.71 0.00 0.00 54.79 56.88 3dh3 n ASP 227 Cb 1.49 -0.38 0.23 0.00 -0.02 0.00 0.00 41.12 42.44 3dh3 n ASP 227 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dh3 n GLU 228 N -1.73 -0.08 -0.06 -1.24 1.02 -0.15 0.13 120.64 118.53 3dh3 n GLU 228 Ca 0.00 1.41 -0.10 0.00 -0.02 0.00 0.00 57.16 58.45 3dh3 n GLU 228 Cb 0.00 -2.19 -0.03 0.00 -0.02 0.00 0.00 31.44 29.20 3dh3 n GLU 228 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3dh3 h LEU 229 N 0.00 0.28 0.48 -4.62 5.85 -0.66 0.46 115.31 117.09 3dh3 h LEU 229 Ca 0.52 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.18 3dh3 h LEU 229 Cb 1.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3dh3 h LEU 229 CO -0.90 0.24 -0.23 0.40 -0.34 0.00 0.00 178.44 177.61 3dh3 h ILE 230 N 0.30 0.41 -0.99 4.05 2.04 0.46 -2.44 117.51 121.35 3dh3 h ILE 230 Ca 0.09 -0.42 0.26 0.00 1.00 0.00 0.00 64.86 65.78 3dh3 h ILE 230 Cb 0.01 0.57 -0.19 0.00 -0.74 0.00 0.00 36.82 36.47 3dh3 h ILE 230 CO -0.02 0.06 -0.03 0.47 0.00 0.00 0.00 178.15 178.63 3dh3 n ASP 231 N -5.26 -0.16 0.08 1.72 10.43 0.35 -1.00 116.55 122.70 3dh3 n ASP 231 Ca -0.11 1.69 -0.13 0.00 2.57 0.00 0.00 54.79 58.81 3dh3 n ASP 231 Cb 0.31 -0.60 -0.08 0.00 1.84 0.00 0.00 41.12 42.59 3dh3 n ASP 231 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3dh3 h LEU 232 N 0.00 -0.19 -1.53 0.64 6.46 -0.02 -2.02 115.31 118.64 3dh3 h LEU 232 Ca 0.58 -0.27 0.12 0.00 -0.12 0.00 0.00 57.88 58.19 3dh3 h LEU 232 Cb 1.14 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 41.08 3dh3 h LEU 232 CO -0.95 0.19 0.48 -0.26 -0.62 0.00 0.00 178.44 177.28 3dh3 h PHE 233 N -0.61 0.56 -0.43 1.25 0.04 -0.67 0.44 116.94 117.52 3dh3 h PHE 233 Ca -0.02 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3dh3 h PHE 233 Cb 0.45 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3dh3 h PHE 233 CO 0.04 0.24 -0.27 0.87 -0.60 0.00 0.00 178.31 178.58 3dh3 h LYS 234 N 0.50 0.91 0.00 1.51 1.79 -0.95 -2.04 116.57 118.30 3dh3 h LYS 234 Ca 0.35 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3dh3 h LYS 234 Cb 0.66 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 3dh3 h LYS 234 CO -0.12 1.07 0.00 1.28 -1.08 0.00 0.00 179.45 180.60 3dh3 n LEU 235 N -4.09 0.00 -4.28 2.94 4.77 0.14 -4.62 117.00 111.86 3dh3 n LEU 235 Ca -0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 3dh3 n LEU 235 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 3dh3 n LEU 235 CO 0.47 0.00 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.34 3dh3 s ILE 236 N -2.00 2.15 0.00 -0.08 1.01 -0.77 -4.82 121.20 116.69 3dh3 s ILE 236 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3dh3 s ILE 236 Cb 0.02 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.70 3dh3 s ILE 236 CO 0.03 0.57 0.00 -1.84 0.00 0.00 0.00 174.94 173.70 3dh3 n GLU 237 N 2.95 0.00 0.00 2.79 -0.00 -1.26 -5.03 120.64 120.09 3dh3 n GLU 237 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 3dh3 n GLU 237 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 3dh3 n GLU 237 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3dh3 n ASN 238 N 0.00 0.00 -3.63 -1.84 3.02 -1.26 -5.16 115.26 106.39 3dh3 n ASN 238 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 3dh3 n ASN 238 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 3dh3 n ASN 238 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dh3 s SER 239 N 0.05 -0.78 0.16 6.41 0.15 -1.26 -5.00 113.70 113.43 3dh3 s SER 239 Ca 0.00 1.45 0.25 0.00 0.70 0.00 0.00 55.95 58.35 3dh3 s SER 239 Cb 0.00 1.45 0.58 0.00 -1.71 0.00 0.00 66.02 66.34 3dh3 s SER 239 CO 0.00 -0.25 1.55 -1.20 1.20 0.00 0.00 173.24 174.55 3dh3 n SER 240 N 2.97 0.75 -4.56 5.45 7.64 -1.26 -4.15 113.62 120.46 3dh3 n SER 240 Ca -0.15 0.35 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 3dh3 n SER 240 Cb 0.56 -0.32 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 3dh3 n SER 240 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dh3 s SER 241 N -4.36 5.09 0.00 6.43 0.01 -1.26 -4.88 113.70 114.73 3dh3 s SER 241 Ca 0.09 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.32 3dh3 s SER 241 Cb 0.13 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.58 3dh3 s SER 241 CO 0.66 0.20 0.41 -0.62 0.41 0.00 0.00 173.24 174.30