#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k44 s GLN 42 N 0.00 3.04 -0.39 5.31 -2.07 0.65 -4.94 119.66 121.26 3k44 s GLN 42 Ca 0.00 -0.38 -0.16 0.00 -1.82 0.00 0.00 55.36 53.00 3k44 s GLN 42 Cb 0.00 -2.84 0.01 0.00 -1.09 0.00 0.00 33.01 29.08 3k44 s GLN 42 CO 0.00 0.71 0.39 -2.00 -1.32 0.00 0.00 175.29 173.06 3k44 s GLU 43 N -0.97 3.26 0.03 9.60 2.12 -1.26 -0.65 118.70 130.83 3k44 s GLU 43 Ca 0.14 -0.66 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 3k44 s GLU 43 Cb -0.11 -3.90 -0.28 0.00 0.26 0.00 0.00 34.13 30.09 3k44 s GLU 43 CO 0.03 -0.71 0.95 -0.07 -0.54 0.00 0.00 175.26 174.92 3k44 h LEU 44 N 8.87 0.38 -7.00 2.70 4.07 -0.72 -3.49 115.31 120.12 3k44 h LEU 44 Ca -0.28 -0.49 0.02 0.00 0.08 0.00 0.00 57.88 57.22 3k44 h LEU 44 Cb 1.13 -0.12 -0.16 0.00 1.08 0.00 0.00 40.66 42.58 3k44 h LEU 44 CO 0.74 1.40 0.34 0.00 -1.08 0.00 0.00 178.44 179.84 3k44 s ALA 45 N -2.63 -1.75 0.02 1.53 0.00 -1.15 -4.98 121.76 112.79 3k44 s ALA 45 Ca -0.07 0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.90 3k44 s ALA 45 Cb 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 3k44 s ALA 45 CO 0.86 -0.59 -0.06 0.99 0.00 0.00 0.00 175.76 176.96 3k44 s THR 46 N -2.60 0.47 -0.02 0.00 2.01 -1.26 -1.26 115.64 112.97 3k44 s THR 46 Ca -0.01 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.34 3k44 s THR 46 Cb -0.01 -0.48 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 3k44 s THR 46 CO -0.04 -0.16 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.06 3k44 s LYS 47 N -0.92 1.18 -0.07 4.92 -0.14 -0.13 -4.99 119.74 119.60 3k44 s LYS 47 Ca -0.05 -0.44 0.05 0.00 -1.36 0.00 0.00 55.97 54.18 3k44 s LYS 47 Cb -0.06 -1.09 -0.01 0.00 -1.68 0.00 0.00 37.83 34.98 3k44 s LYS 47 CO 0.00 0.21 -0.24 1.41 -0.76 0.00 0.00 175.35 175.97 3k44 s MET 48 N -0.03 2.70 -0.03 1.68 -2.45 -1.26 -0.72 119.30 119.19 3k44 s MET 48 Ca -0.00 -0.89 0.05 0.00 -1.25 0.00 0.00 55.69 53.60 3k44 s MET 48 Cb -0.08 -2.21 -0.01 0.00 1.25 0.00 0.00 34.83 33.78 3k44 s MET 48 CO 0.00 0.33 -0.17 -0.51 1.05 0.00 0.00 175.02 175.73 3k44 s LEU 49 N -0.04 1.97 -0.28 4.11 1.02 -0.24 -4.99 118.68 120.23 3k44 s LEU 49 Ca -0.07 -0.33 -0.08 0.00 0.02 0.00 0.00 54.13 53.67 3k44 s LEU 49 Cb -0.15 -0.92 -0.01 0.00 0.02 0.00 0.00 46.19 45.14 3k44 s LEU 49 CO 0.05 0.18 0.09 -1.10 0.02 0.00 0.00 176.35 175.60 3k44 s GLN 50 N -0.19 3.34 -0.08 1.70 -0.21 -1.26 -1.00 119.66 121.96 3k44 s GLN 50 Ca 0.02 -0.69 -0.01 0.00 0.02 0.00 0.00 55.36 54.70 3k44 s GLN 50 Cb -0.09 -3.40 0.03 0.00 1.00 0.00 0.00 33.01 30.54 3k44 s GLN 50 CO 0.01 -0.35 -0.04 0.42 -2.12 0.00 0.00 175.29 173.21 3k44 s ILE 51 N 1.57 0.66 -0.91 1.08 1.01 -0.35 -4.90 121.20 119.36 3k44 s ILE 51 Ca 0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 3k44 s ILE 51 Cb -0.16 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.59 3k44 s ILE 51 CO 0.04 0.30 0.31 1.67 0.00 0.00 0.00 174.94 177.25 3k44 n GLN 52 N 4.86 -0.63 -0.32 2.79 7.27 -1.26 0.16 117.38 130.25 3k44 n GLN 52 Ca -0.12 -0.07 0.00 0.00 0.07 0.00 0.00 57.00 56.88 3k44 n GLN 52 Cb 0.50 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.41 3k44 n GLN 52 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3k44 n SER 53 N -1.41 0.00 -4.93 1.69 3.41 -1.26 -4.93 113.62 106.19 3k44 n SER 53 Ca -0.13 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.29 3k44 n SER 53 Cb 0.42 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3k44 n SER 53 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3k44 s LYS 54 N -0.07 2.88 0.06 4.33 -2.85 0.12 -4.41 119.74 119.80 3k44 s LYS 54 Ca 0.00 -1.20 0.09 0.00 -1.00 0.00 0.00 55.97 53.86 3k44 s LYS 54 Cb 0.00 -2.65 -0.03 0.00 -2.06 0.00 0.00 37.83 33.09 3k44 s LYS 54 CO 0.00 -0.00 -0.23 1.03 0.10 0.00 0.00 175.35 176.25 3k44 s ARG 55 N -4.13 1.86 -0.01 1.78 0.52 -0.97 -1.21 118.95 116.80 3k44 s ARG 55 Ca 0.45 -1.09 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 3k44 s ARG 55 Cb -0.08 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 3k44 s ARG 55 CO 0.29 0.51 -0.19 -0.06 0.02 0.00 0.00 175.30 175.87 3k44 s PHE 56 N -0.91 1.74 -0.13 -0.53 0.08 -0.17 -0.23 117.98 117.83 3k44 s PHE 56 Ca 0.14 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.88 3k44 s PHE 56 Cb -0.10 -1.11 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 3k44 s PHE 56 CO 0.04 -0.02 -0.20 0.71 -0.10 0.00 0.00 175.22 175.65 3k44 s TYR 57 N -0.47 2.67 -0.35 0.36 2.02 0.02 -1.08 117.35 120.52 3k44 s TYR 57 Ca 0.07 -1.08 -0.05 0.00 -0.37 0.00 0.00 57.07 55.65 3k44 s TYR 57 Cb -0.08 -1.80 0.06 0.00 -0.40 0.00 0.00 41.96 39.75 3k44 s TYR 57 CO -0.01 -0.46 0.11 -0.51 -1.57 0.00 0.00 175.55 173.11 3k44 s LEU 58 N 0.58 4.44 -0.21 -1.29 1.02 0.10 -0.78 118.68 122.54 3k44 s LEU 58 Ca -0.12 -1.36 -0.04 0.00 0.02 0.00 0.00 54.13 52.63 3k44 s LEU 58 Cb -0.16 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 3k44 s LEU 58 CO 0.03 -0.37 -0.04 -1.81 0.02 0.00 0.00 176.35 174.19 3k44 s ASP 59 N 1.51 4.37 -0.12 2.29 1.01 -0.06 -0.95 116.67 124.71 3k44 s ASP 59 Ca -0.01 -0.35 -0.24 0.00 0.71 0.00 0.00 52.55 52.66 3k44 s ASP 59 Cb -0.20 -1.74 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 3k44 s ASP 59 CO 0.00 0.01 0.76 -0.69 0.21 0.00 0.00 175.17 175.47 3k44 s VAL 60 N 1.29 4.97 0.16 -1.27 1.01 -0.39 -0.99 120.40 125.18 3k44 s VAL 60 Ca 0.04 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.54 3k44 s VAL 60 Cb -0.14 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3k44 s VAL 60 CO -0.02 0.13 0.01 -0.54 0.00 0.00 0.00 175.10 174.69 3k44 s LYS 61 N 1.52 1.05 -0.11 2.72 1.02 -0.10 0.06 119.74 125.90 3k44 s LYS 61 Ca 0.37 -1.50 -0.07 0.00 0.02 0.00 0.00 55.97 54.80 3k44 s LYS 61 Cb -0.17 -0.14 0.04 0.00 -0.52 0.00 0.00 37.83 37.04 3k44 s LYS 61 CO 0.15 -0.16 0.27 -1.14 -0.92 0.00 0.00 175.35 173.55 3k44 s GLN 62 N -3.94 0.25 0.00 1.68 0.74 0.18 -1.58 119.66 116.99 3k44 s GLN 62 Ca 0.23 0.51 0.00 0.00 0.05 0.00 0.00 55.36 56.15 3k44 s GLN 62 Cb 0.06 -0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.13 3k44 s GLN 62 CO 0.03 -0.13 0.00 0.27 -0.55 0.00 0.00 175.29 174.91 3k44 n ASN 63 N 3.89 0.00 0.01 6.67 2.04 -0.77 -0.25 115.26 126.85 3k44 n ASN 63 Ca -0.22 -0.56 0.07 0.00 -0.44 0.00 0.00 54.58 53.42 3k44 n ASN 63 Cb 0.55 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 38.08 3k44 n ASN 63 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3k44 n ARG 64 N 0.00 0.01 -0.39 -3.83 1.74 -1.26 -0.74 116.66 112.19 3k44 n ARG 64 Ca 0.00 0.29 0.09 0.00 -0.77 0.00 0.00 57.85 57.46 3k44 n ARG 64 Cb 0.00 -1.52 0.28 0.00 -1.02 0.00 0.00 32.46 30.20 3k44 n ARG 64 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k44 n ARG 65 N -1.54 2.77 0.00 5.56 1.74 -1.26 -5.06 116.66 118.86 3k44 n ARG 65 Ca 0.03 -2.28 0.00 0.00 -0.77 0.00 0.00 57.85 54.83 3k44 n ARG 65 Cb 0.15 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 3k44 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k44 n GLY 66 N 1.29 -1.78 3.88 -0.13 0.00 0.08 -5.00 105.19 103.52 3k44 n GLY 66 Ca 0.21 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 3k44 n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k44 s ARG 67 N -0.26 3.66 0.21 1.61 3.52 -1.26 -1.84 118.95 124.60 3k44 s ARG 67 Ca 0.00 0.03 -0.23 0.00 -0.13 0.00 0.00 55.73 55.40 3k44 s ARG 67 Cb 0.00 -3.01 0.04 0.00 -1.56 0.00 0.00 34.95 30.43 3k44 s ARG 67 CO 0.00 0.58 0.75 -0.59 -0.81 0.00 0.00 175.30 175.24 3k44 s PHE 68 N -1.40 -0.26 -0.19 5.12 -0.12 -0.61 -4.46 117.98 116.06 3k44 s PHE 68 Ca 0.32 -0.11 -0.03 0.00 -0.05 0.00 0.00 56.93 57.07 3k44 s PHE 68 Cb -0.13 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 42.90 3k44 s PHE 68 CO 0.18 -1.04 -0.07 0.42 -0.05 0.00 0.00 175.22 174.66 3k44 s ILE 69 N -3.71 3.29 -0.14 -4.49 1.01 0.38 -0.93 121.20 116.60 3k44 s ILE 69 Ca 0.09 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 3k44 s ILE 69 Cb -0.04 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 3k44 s ILE 69 CO 0.01 0.46 0.28 -0.75 0.00 0.00 0.00 174.94 174.94 3k44 s LYS 70 N 1.05 4.11 -0.19 2.79 2.20 -0.16 -0.44 119.74 129.09 3k44 s LYS 70 Ca 0.00 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 3k44 s LYS 70 Cb -0.15 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 3k44 s LYS 70 CO -0.01 0.37 -0.18 0.08 -0.36 0.00 0.00 175.35 175.25 3k44 s VAL 71 N 0.08 2.07 -0.01 4.02 1.01 -0.21 -0.88 120.40 126.47 3k44 s VAL 71 Ca 0.17 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3k44 s VAL 71 Cb -0.13 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3k44 s VAL 71 CO 0.05 0.44 -0.12 0.00 0.00 0.00 0.00 175.10 175.47 3k44 s ALA 72 N 1.26 2.80 -0.04 5.51 0.00 0.04 -0.93 121.76 130.40 3k44 s ALA 72 Ca 0.03 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.02 3k44 s ALA 72 Cb -0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 3k44 s ALA 72 CO -0.12 0.58 -0.24 -2.00 0.00 0.00 0.00 175.76 173.99 3k44 s GLU 73 N -1.13 2.24 -0.30 0.00 2.12 0.95 -0.80 118.70 121.78 3k44 s GLU 73 Ca 0.14 -0.86 -0.06 0.00 0.36 0.00 0.00 54.97 54.55 3k44 s GLU 73 Cb -0.11 -2.00 0.01 0.00 0.26 0.00 0.00 34.13 32.30 3k44 s GLU 73 CO 0.04 0.42 0.07 0.42 -0.54 0.00 0.00 175.26 175.68 3k44 s ILE 74 N -0.31 3.86 0.88 -3.70 -1.09 0.68 -2.32 121.20 119.21 3k44 s ILE 74 Ca 0.02 -0.77 -0.10 0.00 -2.23 0.00 0.00 60.65 57.56 3k44 s ILE 74 Cb -0.12 -3.01 0.13 0.00 -1.58 0.00 0.00 42.46 37.88 3k44 s ILE 74 CO 0.02 0.06 1.13 -0.83 -1.23 0.00 0.00 174.94 174.09 3k44 s GLY 75 N 1.47 1.68 0.55 6.18 0.00 0.16 -2.28 107.32 115.08 3k44 s GLY 75 Ca 0.02 0.50 0.24 0.00 0.00 0.00 0.00 44.72 45.48 3k44 s GLY 75 CO 0.02 0.91 2.07 0.00 0.00 0.00 0.00 173.10 176.09 3k44 h ALA 76 N -1.71 2.16 -0.02 3.20 0.00 -1.90 -0.62 119.26 120.37 3k44 h ALA 76 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3k44 h ALA 76 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3k44 h ALA 76 CO 0.44 -0.38 -0.15 -0.40 0.00 0.00 0.00 179.25 178.76 3k44 n ASP 77 N -4.24 1.96 0.00 0.00 5.75 -1.26 -4.97 116.55 113.79 3k44 n ASP 77 Ca 0.04 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3k44 n ASP 77 Cb 0.39 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3k44 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k44 n GLY 78 N 1.31 0.52 3.68 6.12 0.00 -0.24 -5.07 105.19 111.52 3k44 n GLY 78 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 3k44 n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k44 n ARG 79 N -1.91 2.36 -3.85 1.61 0.63 -1.26 -4.38 116.66 109.87 3k44 n ARG 79 Ca 0.00 0.85 -0.36 0.00 -0.92 0.00 0.00 57.85 57.42 3k44 n ARG 79 Cb 0.00 -2.66 -0.07 0.00 0.45 0.00 0.00 32.46 30.18 3k44 n ARG 79 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3k44 s ARG 80 N 1.43 3.69 0.15 -0.14 0.52 -1.26 -0.67 118.95 122.67 3k44 s ARG 80 Ca 0.79 -0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 55.66 3k44 s ARG 80 Cb -0.62 -3.26 0.04 0.00 0.52 0.00 0.00 34.95 31.63 3k44 s ARG 80 CO 0.38 0.61 0.45 -1.54 0.02 0.00 0.00 175.30 175.21 3k44 s SER 81 N -0.53 -0.26 0.01 0.23 1.04 -0.98 -5.01 113.70 108.19 3k44 s SER 81 Ca 0.12 -0.34 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 3k44 s SER 81 Cb -0.12 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 3k44 s SER 81 CO 0.02 -0.91 0.10 -1.10 0.98 0.00 0.00 173.24 172.33 3k44 s GLN 82 N -3.82 0.44 0.22 4.02 1.11 -1.26 -0.04 119.66 120.34 3k44 s GLN 82 Ca 0.05 -0.43 0.04 0.00 0.01 0.00 0.00 55.36 55.03 3k44 s GLN 82 Cb 0.01 0.18 -0.05 0.00 -1.01 0.00 0.00 33.01 32.14 3k44 s GLN 82 CO -0.09 -0.10 -0.04 0.96 0.01 0.00 0.00 175.29 176.03 3k44 s ILE 83 N -1.37 1.20 -0.02 1.08 -4.36 -0.10 -4.47 121.20 113.16 3k44 s ILE 83 Ca -0.15 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.21 3k44 s ILE 83 Cb -0.08 -2.26 -0.00 0.00 1.25 0.00 0.00 42.46 41.36 3k44 s ILE 83 CO 0.01 -0.40 -0.12 -0.31 0.24 0.00 0.00 174.94 174.36 3k44 s TYR 84 N -3.31 1.14 -0.06 1.37 2.02 -1.26 -1.04 117.35 116.20 3k44 s TYR 84 Ca 0.26 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 3k44 s TYR 84 Cb 0.04 -0.77 0.02 0.00 -0.40 0.00 0.00 41.96 40.85 3k44 s TYR 84 CO 0.08 -0.08 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.37 3k44 s LEU 85 N -0.03 1.56 0.81 -1.29 1.43 0.41 -4.99 118.68 116.57 3k44 s LEU 85 Ca 0.00 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 3k44 s LEU 85 Cb -0.07 -0.72 0.08 0.00 0.03 0.00 0.00 46.19 45.51 3k44 s LEU 85 CO 0.00 0.01 1.17 0.00 0.23 0.00 0.00 176.35 177.76 3k44 s ALA 86 N 0.74 1.89 0.35 4.21 0.00 -1.26 -0.47 121.76 127.22 3k44 s ALA 86 Ca -0.14 0.68 0.20 0.00 0.00 0.00 0.00 51.96 52.71 3k44 s ALA 86 Cb -0.15 -3.43 1.05 0.00 0.00 0.00 0.00 23.12 20.58 3k44 s ALA 86 CO 0.03 -2.20 1.93 -0.07 0.00 0.00 0.00 175.76 175.45 3k44 h LEU 87 N -1.02 0.00 -0.21 0.00 4.07 -1.94 -1.46 115.31 114.74 3k44 h LEU 87 Ca -0.45 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.37 3k44 h LEU 87 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 3k44 h LEU 87 CO 0.47 0.24 -0.42 0.77 -1.08 0.00 0.00 178.44 178.42 3k44 h SER 88 N 0.00 0.73 -0.24 -0.43 4.64 -1.97 -2.38 113.55 113.90 3k44 h SER 88 Ca -0.00 -0.55 -0.05 0.00 -0.47 0.00 0.00 61.79 60.72 3k44 h SER 88 Cb 0.53 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3k44 h SER 88 CO 0.03 1.15 0.00 0.74 -0.87 0.00 0.00 176.83 177.88 3k44 h THR 89 N 0.35 1.20 -0.18 2.95 2.02 -1.82 -2.42 112.91 115.01 3k44 h THR 89 Ca 0.01 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 3k44 h THR 89 Cb 1.02 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3k44 h THR 89 CO 0.09 0.27 -0.29 0.00 0.37 0.00 0.00 175.52 175.97 3k44 h ALA 90 N 1.49 1.17 -0.32 6.16 0.00 -1.15 0.24 119.26 126.85 3k44 h ALA 90 Ca 0.11 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3k44 h ALA 90 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3k44 h ALA 90 CO 0.01 0.54 -0.30 0.00 0.00 0.00 0.00 179.25 179.49 3k44 h ALA 91 N 1.39 0.46 -0.63 0.00 0.00 -1.19 -0.82 119.26 118.47 3k44 h ALA 91 Ca 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3k44 h ALA 91 Cb 0.67 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3k44 h ALA 91 CO 0.05 0.49 0.24 1.49 0.00 0.00 0.00 179.25 181.52 3k44 h GLU 92 N 0.53 0.95 -0.35 0.00 4.81 -1.04 -2.23 114.58 117.24 3k44 h GLU 92 Ca 0.05 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3k44 h GLU 92 Cb 0.88 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3k44 h GLU 92 CO 0.08 0.81 0.21 0.35 -0.73 0.00 0.00 179.01 179.73 3k44 h PHE 93 N 0.88 0.46 -0.63 0.92 3.57 -0.48 -1.44 116.94 120.22 3k44 h PHE 93 Ca 0.21 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.79 3k44 h PHE 93 Cb 0.23 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 3k44 h PHE 93 CO 0.01 0.33 0.29 -0.09 -2.23 0.00 0.00 178.31 176.63 3k44 h ARG 94 N 0.46 0.50 -0.38 1.11 1.12 -1.04 -0.96 114.38 115.19 3k44 h ARG 94 Ca 0.13 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.94 3k44 h ARG 94 Cb 0.00 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 29.83 3k44 h ARG 94 CO -0.02 0.33 0.12 -0.44 -3.11 0.00 0.00 179.97 176.85 3k44 h ASP 95 N 0.52 0.56 -0.46 -3.80 3.32 -1.21 -2.83 116.42 112.51 3k44 h ASP 95 Ca 0.31 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3k44 h ASP 95 Cb 0.32 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3k44 h ASP 95 CO -0.26 0.61 0.31 0.45 -1.72 0.00 0.00 179.24 178.63 3k44 h HIS 96 N 0.47 0.46 -0.62 4.55 3.86 -0.57 -2.71 115.15 120.59 3k44 h HIS 96 Ca 0.12 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3k44 h HIS 96 Cb 0.25 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 3k44 h HIS 96 CO 0.01 0.26 0.27 -0.07 0.86 0.00 0.00 177.93 179.26 3k44 h LEU 97 N 0.47 0.82 -0.66 2.43 3.38 -0.94 0.10 115.31 120.91 3k44 h LEU 97 Ca 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k44 h LEU 97 Cb 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3k44 h LEU 97 CO -0.05 0.72 0.43 0.28 0.09 0.00 0.00 178.44 179.91 3k44 h SER 98 N 0.89 0.77 -0.26 -0.43 0.02 -1.48 -0.94 113.55 112.12 3k44 h SER 98 Ca 0.21 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.95 3k44 h SER 98 Cb 0.15 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3k44 h SER 98 CO -0.02 0.58 -0.55 -1.28 -1.14 0.00 0.00 176.83 174.42 3k44 h SER 99 N 0.90 0.95 0.04 3.07 0.87 -1.35 -2.69 113.55 115.34 3k44 h SER 99 Ca 0.24 -0.51 -0.07 0.00 -1.23 0.00 0.00 61.79 60.22 3k44 h SER 99 Cb -0.08 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 3k44 h SER 99 CO -0.05 1.31 -0.19 -0.26 -0.53 0.00 0.00 176.83 177.10 3k44 h PHE 100 N 0.66 0.31 -0.22 2.24 0.04 -0.61 -2.64 116.94 116.72 3k44 h PHE 100 Ca 0.01 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3k44 h PHE 100 Cb 1.15 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 3k44 h PHE 100 CO 0.07 0.48 0.10 1.03 -0.60 0.00 0.00 178.31 179.39 3k44 h SER 101 N 0.27 0.28 -0.90 2.17 0.87 -1.00 -0.18 113.55 115.06 3k44 h SER 101 Ca 0.05 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3k44 h SER 101 Cb 0.50 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 3k44 h SER 101 CO 0.03 0.32 0.55 0.44 -0.53 0.00 0.00 176.83 177.65 3k44 h ASP 102 N 0.22 1.08 -0.18 6.23 3.32 -1.40 -1.14 116.42 124.55 3k44 h ASP 102 Ca 0.07 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3k44 h ASP 102 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3k44 h ASP 102 CO -0.01 0.82 0.03 0.22 -1.72 0.00 0.00 179.24 178.58 3k44 h TYR 103 N 1.24 0.31 -0.41 4.55 3.20 -1.30 -2.76 116.97 121.80 3k44 h TYR 103 Ca 0.33 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.22 3k44 h TYR 103 Cb -0.07 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 3k44 h TYR 103 CO 0.00 0.44 0.09 -0.92 -1.64 0.00 0.00 178.16 176.12 3k44 h TYR 104 N 0.09 0.14 0.00 -3.82 3.20 -0.71 -2.40 116.97 113.47 3k44 h TYR 104 Ca 0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3k44 h TYR 104 Cb 0.29 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3k44 h TYR 104 CO 0.02 0.02 -0.08 0.00 -1.64 0.00 0.00 178.16 176.48 3k44 h ALA 105 N 1.31 1.09 -0.00 1.82 0.00 -1.18 -2.50 119.26 119.80 3k44 h ALA 105 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3k44 h ALA 105 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3k44 h ALA 105 CO -0.26 0.09 -0.17 -1.13 0.00 0.00 0.00 179.25 177.78 3k44 n SER 106 N -3.31 0.29 0.07 0.00 3.41 -0.91 -4.35 113.62 108.81 3k44 n SER 106 Ca -0.01 -0.07 -0.11 0.00 -0.26 0.00 0.00 58.87 58.42 3k44 n SER 106 Cb 0.26 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 3k44 n SER 106 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3k44 h LEU 107 N 0.18 0.42 0.00 1.04 3.38 -1.40 -3.50 115.31 115.42 3k44 h LEU 107 Ca 0.00 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.74 3k44 h LEU 107 Cb 0.45 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3k44 h LEU 107 CO 0.00 1.12 -0.13 0.61 0.09 0.00 0.00 178.44 180.13 3k44 n GLY 108 N 0.87 -1.41 3.74 0.83 0.00 -1.26 -4.87 105.19 103.08 3k44 n GLY 108 Ca -0.05 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 3k44 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k44 s PRO 109 N -0.63 1.77 0.35 1.61 0.04 -1.26 -4.98 135.00 131.90 3k44 s PRO 109 Ca 0.00 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.83 3k44 s PRO 109 Cb 0.00 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 3k44 s PRO 109 CO 0.00 -1.96 1.38 -2.14 0.04 0.00 0.00 177.00 174.32 3k44 s PRO 110 N -4.89 4.24 0.00 0.56 0.02 -1.26 -5.00 135.00 128.67 3k44 s PRO 110 Ca 0.62 2.36 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3k44 s PRO 110 Cb -0.18 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3k44 s PRO 110 CO 0.57 -0.34 0.00 0.09 -0.33 0.00 0.00 177.00 176.99 3k44 n ASN 111 N 0.63 -1.87 0.00 2.53 4.13 -1.26 -5.00 115.26 114.41 3k44 n ASN 111 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 3k44 n ASN 111 Cb 0.41 -0.94 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 3k44 n ASN 111 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 3k44 n THR 112 N -0.17 0.00 0.00 3.41 5.66 -1.26 -4.91 114.28 117.00 3k44 n THR 112 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3k44 n THR 112 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3k44 n THR 112 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3k44 n ASP 113 N 0.02 0.00 -3.98 1.09 5.68 -1.26 -5.08 116.55 113.02 3k44 n ASP 113 Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 3k44 n ASP 113 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 3k44 n ASP 113 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3k44 s ASN 114 N -2.00 4.53 0.21 -1.12 -0.87 -1.26 -5.09 114.94 109.34 3k44 s ASN 114 Ca 0.00 -2.65 -0.03 0.00 -1.57 0.00 0.00 52.86 48.61 3k44 s ASN 114 Cb 0.00 -1.64 -0.05 0.00 -0.02 0.00 0.00 41.25 39.54 3k44 s ASN 114 CO 0.00 -0.30 0.43 -0.76 -2.57 0.00 0.00 177.10 173.90 3k44 s LEU 115 N 0.22 4.19 0.34 0.60 1.43 -1.26 -5.09 118.68 119.11 3k44 s LEU 115 Ca 0.14 0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 53.49 3k44 s LEU 115 Cb -0.23 -3.29 -0.12 0.00 0.03 0.00 0.00 46.19 42.58 3k44 s LEU 115 CO -0.03 -0.06 1.23 -2.65 0.23 0.00 0.00 176.35 175.06 3k44 n PRO 116 N -0.57 1.95 -0.35 1.29 -0.01 -1.26 -4.90 135.00 131.14 3k44 n PRO 116 Ca -0.03 0.68 0.24 0.00 -0.01 0.00 0.00 63.50 64.38 3k44 n PRO 116 Cb 0.53 -2.23 0.50 0.00 -0.01 0.00 0.00 33.50 32.29 3k44 n PRO 116 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 3k44 h GLU 117 N 2.39 0.35 0.00 -0.52 4.81 -1.98 -1.88 114.58 117.75 3k44 h GLU 117 Ca -0.45 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.59 3k44 h GLU 117 Cb 1.30 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 3k44 h GLU 117 CO 0.62 0.23 -1.13 0.38 -0.73 0.00 0.00 179.01 178.38 3k44 h ASP 118 N 0.36 0.00 0.00 1.04 3.04 -2.03 -3.48 116.42 115.35 3k44 h ASP 118 Ca 0.69 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.48 3k44 h ASP 118 Cb 1.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.97 3k44 h ASP 118 CO -0.45 0.66 0.00 0.61 -2.04 0.00 0.00 179.24 178.02 3k44 n GLY 119 N 1.36 0.95 3.75 7.15 0.00 -0.71 -5.02 105.19 112.67 3k44 n GLY 119 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3k44 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k44 s LYS 120 N -0.14 4.12 -0.17 1.61 1.02 -1.26 -1.75 119.74 123.16 3k44 s LYS 120 Ca 0.00 -0.16 0.09 0.00 0.02 0.00 0.00 55.97 55.92 3k44 s LYS 120 Cb 0.00 -3.39 -0.17 0.00 -0.52 0.00 0.00 37.83 33.75 3k44 s LYS 120 CO 0.00 0.35 -0.03 1.28 -0.92 0.00 0.00 175.35 176.03 3k44 n LEU 121 N 3.35 1.05 -3.72 3.17 4.32 0.21 -4.82 117.00 120.56 3k44 n LEU 121 Ca -0.16 -0.04 -0.14 0.00 -0.02 0.00 0.00 56.01 55.66 3k44 n LEU 121 Cb 0.52 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.24 3k44 n LEU 121 CO 0.37 0.54 0.11 -0.75 -1.22 0.00 0.00 177.39 176.44 3k44 s LYS 122 N -2.38 0.64 -0.03 3.23 2.20 -1.24 -5.02 119.74 117.15 3k44 s LYS 122 Ca -0.14 0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 3k44 s LYS 122 Cb 0.05 0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 3k44 s LYS 122 CO 0.57 -0.15 0.09 -1.12 -0.36 0.00 0.00 175.35 174.38 3k44 s SER 123 N -0.62 -0.07 0.24 1.43 0.01 -1.26 -1.77 113.70 111.66 3k44 s SER 123 Ca -0.07 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.31 3k44 s SER 123 Cb -0.04 0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.33 3k44 s SER 123 CO 0.03 -0.07 0.11 -1.61 0.41 0.00 0.00 173.24 172.11 3k44 s GLU 124 N -0.15 1.34 -0.05 12.44 0.41 -0.28 -5.02 118.70 127.39 3k44 s GLU 124 Ca -0.02 -1.72 -0.03 0.00 -0.41 0.00 0.00 54.97 52.79 3k44 s GLU 124 Cb -0.02 -0.09 0.02 0.00 -1.78 0.00 0.00 34.13 32.27 3k44 s GLU 124 CO 0.00 -0.33 0.12 1.41 -0.49 0.00 0.00 175.26 175.97 3k44 s MET 125 N -4.08 0.10 0.12 1.61 1.75 -1.26 -1.36 119.30 116.18 3k44 s MET 125 Ca 0.38 0.25 0.10 0.00 -1.25 0.00 0.00 55.69 55.17 3k44 s MET 125 Cb 0.08 -0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 3k44 s MET 125 CO 0.13 -0.09 -0.23 -1.64 -0.65 0.00 0.00 175.02 172.54 3k44 s MET 126 N 0.61 1.60 -0.05 4.11 -1.94 0.39 -4.98 119.30 119.04 3k44 s MET 126 Ca -0.05 -1.26 0.04 0.00 -1.71 0.00 0.00 55.69 52.72 3k44 s MET 126 Cb -0.06 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.78 3k44 s MET 126 CO -0.03 0.47 -0.16 0.42 -0.01 0.00 0.00 175.02 175.71 3k44 s ILE 127 N -1.07 1.40 -0.32 2.53 -1.09 -1.26 -0.50 121.20 120.89 3k44 s ILE 127 Ca 0.15 -0.68 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 3k44 s ILE 127 Cb -0.10 -1.22 0.13 0.00 -1.58 0.00 0.00 42.46 39.69 3k44 s ILE 127 CO 0.07 0.41 0.26 -0.75 -1.23 0.00 0.00 174.94 173.70 3k44 s LYS 128 N 0.19 0.39 3.73 2.79 2.47 0.10 -5.00 119.74 124.41 3k44 s LYS 128 Ca -0.07 -0.57 0.00 0.00 -1.56 0.00 0.00 55.97 53.77 3k44 s LYS 128 Cb -0.13 -0.90 0.00 0.00 -1.46 0.00 0.00 37.83 35.35 3k44 s LYS 128 CO 0.03 -1.09 0.00 -0.25 0.16 0.00 0.00 175.35 174.20 3k44 n ASP 129 N 4.88 0.00 -0.52 1.43 8.00 -1.26 -0.49 116.55 128.60 3k44 n ASP 129 Ca 0.02 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.64 3k44 n ASP 129 Cb 0.44 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.77 3k44 n ASP 129 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3k44 n TYR 130 N 0.00 0.00 -3.39 1.24 4.01 -1.26 -4.89 117.16 112.87 3k44 n TYR 130 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 3k44 n TYR 130 Cb 0.00 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 38.93 3k44 n TYR 130 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3k44 s ARG 131 N -2.29 4.31 -0.03 -0.72 0.52 0.36 0.13 118.95 121.23 3k44 s ARG 131 Ca 0.26 0.33 0.06 0.00 -0.52 0.00 0.00 55.73 55.85 3k44 s ARG 131 Cb 0.19 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 3k44 s ARG 131 CO 0.45 0.19 -0.19 1.03 0.02 0.00 0.00 175.30 176.80 3k44 s ARG 132 N 0.56 2.31 -0.18 3.54 0.52 -0.10 -0.72 118.95 124.87 3k44 s ARG 132 Ca 0.23 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.63 3k44 s ARG 132 Cb -0.14 -2.24 0.03 0.00 0.52 0.00 0.00 34.95 33.12 3k44 s ARG 132 CO 0.08 0.59 -0.15 0.71 0.02 0.00 0.00 175.30 176.56 3k44 s TYR 133 N -0.72 2.55 -0.22 -0.53 2.02 0.35 -0.72 117.35 120.09 3k44 s TYR 133 Ca 0.11 -1.58 -0.14 0.00 -0.37 0.00 0.00 57.07 55.09 3k44 s TYR 133 Cb -0.10 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 3k44 s TYR 133 CO 0.01 -0.76 0.32 0.71 -1.57 0.00 0.00 175.55 174.26 3k44 s TYR 134 N 1.36 3.34 -0.39 2.71 2.02 -0.07 -0.46 117.35 125.85 3k44 s TYR 134 Ca 0.02 0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 57.14 3k44 s TYR 134 Cb -0.15 -2.45 0.08 0.00 -0.40 0.00 0.00 41.96 39.05 3k44 s TYR 134 CO -0.10 -0.00 0.20 -0.51 -1.57 0.00 0.00 175.55 173.56 3k44 s LEU 135 N 1.30 4.97 -0.25 -1.29 1.43 -0.46 -1.39 118.68 122.98 3k44 s LEU 135 Ca 0.15 -1.65 0.02 0.00 -1.03 0.00 0.00 54.13 51.62 3k44 s LEU 135 Cb -0.14 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.24 3k44 s LEU 135 CO 0.07 -0.49 -0.11 -1.81 0.23 0.00 0.00 176.35 174.23 3k44 s ASP 136 N 1.87 4.29 -0.46 2.29 1.01 -0.38 -1.12 116.67 124.17 3k44 s ASP 136 Ca 0.03 -1.26 -0.28 0.00 0.71 0.00 0.00 52.55 51.76 3k44 s ASP 136 Cb -0.22 -1.56 -0.01 0.00 1.01 0.00 0.00 42.92 42.14 3k44 s ASP 136 CO -0.01 -0.17 1.75 -0.22 0.21 0.00 0.00 175.17 176.74 3k44 s LEU 137 N 1.15 3.43 0.24 1.23 2.96 -0.73 -0.80 118.68 126.15 3k44 s LEU 137 Ca -0.06 0.83 0.07 0.00 -0.22 0.00 0.00 54.13 54.74 3k44 s LEU 137 Cb -0.19 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 3k44 s LEU 137 CO -0.06 -1.93 0.13 -0.54 -1.32 0.00 0.00 176.35 172.63 3k44 s LYS 138 N 6.09 2.75 -0.27 1.98 1.02 0.14 -0.62 119.74 130.82 3k44 s LYS 138 Ca 0.71 -1.11 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 3k44 s LYS 138 Cb -0.17 -2.47 0.08 0.00 -0.52 0.00 0.00 37.83 34.75 3k44 s LYS 138 CO 0.28 0.41 0.05 -2.00 -0.92 0.00 0.00 175.35 173.17 3k44 s GLU 139 N -3.62 0.98 0.00 1.68 2.12 -0.72 -1.74 118.70 117.40 3k44 s GLU 139 Ca 0.32 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.65 3k44 s GLU 139 Cb -0.08 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.04 3k44 s GLU 139 CO 0.23 -0.82 0.00 0.27 -0.54 0.00 0.00 175.26 174.40 3k44 n ASN 140 N 4.79 1.04 0.11 -1.70 2.04 0.49 -4.93 115.26 117.10 3k44 n ASN 140 Ca -0.05 -0.93 -0.13 0.00 -0.44 0.00 0.00 54.58 53.03 3k44 n ASN 140 Cb 0.44 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.63 3k44 n ASN 140 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3k44 h ALA 141 N 0.71 -0.56 0.00 -2.53 0.00 -2.03 -1.80 119.26 113.04 3k44 h ALA 141 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k44 h ALA 141 Cb 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3k44 h ALA 141 CO 0.00 -0.87 -0.00 0.07 0.00 0.00 0.00 179.25 178.45 3k44 h ARG 142 N -0.55 0.00 0.00 0.00 0.11 -2.04 -3.49 114.38 108.42 3k44 h ARG 142 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3k44 h ARG 142 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 3k44 h ARG 142 CO -0.20 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.28 3k44 n GLY 143 N -1.17 0.41 3.56 0.08 0.00 -0.68 -5.10 105.19 102.29 3k44 n GLY 143 Ca -0.03 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 3k44 n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k44 s ARG 144 N -2.00 3.23 -0.05 1.61 0.52 -1.26 -0.38 118.95 120.61 3k44 s ARG 144 Ca 0.00 -0.51 -0.11 0.00 -0.52 0.00 0.00 55.73 54.59 3k44 s ARG 144 Cb 0.00 -2.78 0.02 0.00 0.52 0.00 0.00 34.95 32.71 3k44 s ARG 144 CO 0.00 0.47 0.27 -0.59 0.02 0.00 0.00 175.30 175.47 3k44 s PHE 145 N -0.27 -0.20 -0.52 -0.53 -0.71 -0.71 -0.82 117.98 114.21 3k44 s PHE 145 Ca 0.05 0.43 -0.23 0.00 -1.04 0.00 0.00 56.93 56.13 3k44 s PHE 145 Cb -0.13 0.08 0.04 0.00 -1.21 0.00 0.00 43.02 41.80 3k44 s PHE 145 CO 0.02 -0.26 0.85 -1.17 -1.34 0.00 0.00 175.22 173.32 3k44 s LEU 146 N -0.65 4.30 -0.14 -1.99 2.96 0.89 -0.69 118.68 123.36 3k44 s LEU 146 Ca -0.07 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.13 3k44 s LEU 146 Cb -0.04 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 3k44 s LEU 146 CO 0.02 -1.10 1.08 -0.60 -1.32 0.00 0.00 176.35 174.43 3k44 s ARG 147 N 3.57 4.34 -0.24 1.98 3.52 0.02 -1.22 118.95 130.93 3k44 s ARG 147 Ca 0.27 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.35 3k44 s ARG 147 Cb -0.14 -3.60 0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3k44 s ARG 147 CO 0.18 -0.48 -0.11 0.54 -0.81 0.00 0.00 175.30 174.63 3k44 s VAL 148 N 2.56 2.45 -0.16 7.11 0.11 -0.02 -1.24 120.40 131.21 3k44 s VAL 148 Ca 0.49 -1.21 -0.04 0.00 -2.93 0.00 0.00 61.98 58.30 3k44 s VAL 148 Cb -0.19 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 3k44 s VAL 148 CO 0.15 0.20 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.65 3k44 s SER 149 N 1.24 4.77 -0.19 3.54 0.01 -0.49 -1.49 113.70 121.10 3k44 s SER 149 Ca -0.02 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.05 3k44 s SER 149 Cb -0.17 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 3k44 s SER 149 CO -0.07 0.16 0.02 -1.58 0.41 0.00 0.00 173.24 172.19 3k44 s GLN 150 N 0.40 3.76 0.20 12.44 0.74 0.51 -0.89 119.66 136.82 3k44 s GLN 150 Ca -0.04 -0.45 0.04 0.00 0.05 0.00 0.00 55.36 54.96 3k44 s GLN 150 Cb -0.14 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 3k44 s GLN 150 CO 0.03 0.13 -0.04 0.95 -0.55 0.00 0.00 175.29 175.81 3k44 s THR 151 N 0.72 1.10 -0.04 -0.34 -4.23 0.11 -1.97 115.64 111.00 3k44 s THR 151 Ca 0.01 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 58.53 3k44 s THR 151 Cb -0.14 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 3k44 s THR 151 CO 0.02 -0.47 -0.21 -0.51 -0.54 0.00 0.00 174.62 172.91 3k44 s ILE 152 N -3.37 2.43 0.25 2.99 1.10 -1.26 -0.93 121.20 122.41 3k44 s ILE 152 Ca 0.24 -0.96 -0.13 0.00 -0.51 0.00 0.00 60.65 59.30 3k44 s ILE 152 Cb 0.04 -1.89 0.34 0.00 0.15 0.00 0.00 42.46 41.10 3k44 s ILE 152 CO 0.06 0.58 1.56 0.00 -2.11 0.00 0.00 174.94 175.03 3k44 h THR 153 N 4.53 0.04 -0.57 4.00 1.03 0.74 -3.30 112.91 119.39 3k44 h THR 153 Ca -0.42 0.00 0.06 0.00 -0.01 0.00 0.00 66.41 66.03 3k44 h THR 153 Cb 1.14 0.04 -0.08 0.00 -1.07 0.00 0.00 68.15 68.18 3k44 h THR 153 CO 0.48 0.00 -0.45 0.03 -0.01 0.00 0.00 175.52 175.58 3k44 h ARG 154 N -0.01 -0.14 0.00 0.00 3.08 -1.97 -3.47 114.38 111.88 3k44 h ARG 154 Ca 0.40 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3k44 h ARG 154 Cb 0.65 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3k44 h ARG 154 CO -0.97 -0.09 0.00 0.41 -1.07 0.00 0.00 179.97 178.25 3k44 n GLY 155 N -1.24 0.60 0.00 0.04 0.00 -1.24 -5.23 105.19 98.12 3k44 n GLY 155 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k44 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k44 n GLY 156 N 5.00 0.20 3.66 -0.02 0.00 -1.26 -4.85 105.19 107.92 3k44 n GLY 156 Ca 0.00 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3k44 n GLY 156 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k44 s PRO 157 N -2.00 4.11 0.33 1.61 0.02 -1.26 -4.75 135.00 133.06 3k44 s PRO 157 Ca 0.00 2.39 0.07 0.00 0.02 0.00 0.00 61.00 63.48 3k44 s PRO 157 Cb 0.00 -4.09 -0.02 0.00 0.02 0.00 0.00 34.50 30.40 3k44 s PRO 157 CO 0.00 -0.96 0.31 -0.98 -0.33 0.00 0.00 177.00 175.04 3k44 s ARG 158 N 4.35 2.82 -0.14 5.54 1.70 -1.26 -4.34 118.95 127.62 3k44 s ARG 158 Ca 0.82 -1.22 -0.34 0.00 -0.47 0.00 0.00 55.73 54.52 3k44 s ARG 158 Cb -0.38 -2.55 0.14 0.00 -0.57 0.00 0.00 34.95 31.59 3k44 s ARG 158 CO 0.36 0.12 1.31 -1.54 -1.08 0.00 0.00 175.30 174.48 3k44 s SER 159 N -4.01 -0.06 0.06 -2.89 1.04 -0.83 -5.01 113.70 102.00 3k44 s SER 159 Ca 0.41 -0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 3k44 s SER 159 Cb -0.07 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.16 3k44 s SER 159 CO 0.27 -0.17 0.27 0.00 0.98 0.00 0.00 173.24 174.60 3k44 s GLN 160 N -2.26 0.83 0.20 4.02 -2.07 -1.26 -0.37 119.66 118.75 3k44 s GLN 160 Ca 0.12 -0.66 0.09 0.00 -1.82 0.00 0.00 55.36 53.10 3k44 s GLN 160 Cb 0.02 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 3k44 s GLN 160 CO -0.04 -0.27 -0.18 0.96 -1.32 0.00 0.00 175.29 174.44 3k44 s ILE 161 N -3.02 1.98 -0.26 3.63 -4.36 -0.55 -4.33 121.20 114.28 3k44 s ILE 161 Ca -0.02 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.26 3k44 s ILE 161 Cb 0.01 -2.02 0.08 0.00 1.25 0.00 0.00 42.46 41.78 3k44 s ILE 161 CO -0.06 -0.40 0.02 0.00 0.24 0.00 0.00 174.94 174.74 3k44 s ALA 162 N -2.38 1.80 -0.40 2.27 0.00 -1.26 -0.84 121.76 120.95 3k44 s ALA 162 Ca 0.21 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 3k44 s ALA 162 Cb -0.04 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.57 3k44 s ALA 162 CO 0.09 -1.39 0.41 -1.17 0.00 0.00 0.00 175.76 173.70 3k44 s LEU 163 N 1.47 4.77 0.22 0.00 1.98 -0.36 -4.90 118.68 121.86 3k44 s LEU 163 Ca 0.02 -0.57 -0.32 0.00 -2.89 0.00 0.00 54.13 50.37 3k44 s LEU 163 Cb -0.18 -2.37 -0.14 0.00 0.66 0.00 0.00 46.19 44.16 3k44 s LEU 163 CO -0.12 -0.51 1.38 -2.65 -1.89 0.00 0.00 176.35 172.55 3k44 n PRO 164 N 5.53 1.86 -0.10 0.98 -0.02 -1.26 -0.07 135.00 141.92 3k44 n PRO 164 Ca -0.08 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3k44 n PRO 164 Cb 0.48 -2.30 0.51 0.00 -0.02 0.00 0.00 33.50 32.17 3k44 n PRO 164 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k44 h ALA 165 N 4.21 2.07 -0.03 3.55 0.00 -1.31 0.48 119.26 128.22 3k44 h ALA 165 Ca -0.45 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3k44 h ALA 165 Cb 1.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3k44 h ALA 165 CO 0.76 -0.23 0.09 -0.56 0.00 0.00 0.00 179.25 179.32 3k44 h GLN 166 N 0.39 0.00 -0.26 0.00 3.07 -1.88 -2.49 115.11 113.93 3k44 h GLN 166 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.04 3k44 h GLN 166 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.22 3k44 h GLN 166 CO -0.08 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.25 3k44 n GLY 167 N -1.20 0.91 0.33 0.06 0.00 0.16 -4.56 105.19 100.89 3k44 n GLY 167 Ca -0.02 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 3k44 n GLY 167 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k44 h MET 168 N 3.22 1.11 -0.56 1.61 2.86 -1.56 -1.21 114.93 120.40 3k44 h MET 168 Ca 0.00 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 3k44 h MET 168 Cb 0.71 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3k44 h MET 168 CO 0.00 0.96 0.03 0.82 1.06 0.00 0.00 176.91 179.78 3k44 h ILE 169 N 1.06 1.26 -0.55 -1.22 1.08 -1.83 0.93 117.51 118.23 3k44 h ILE 169 Ca 0.23 -1.08 -0.00 0.00 -0.39 0.00 0.00 64.86 63.62 3k44 h ILE 169 Cb 0.33 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 3k44 h ILE 169 CO -0.00 0.39 0.33 -0.33 -0.69 0.00 0.00 178.15 177.84 3k44 h GLU 170 N 0.85 0.75 0.35 2.37 4.39 -1.75 0.36 114.58 121.91 3k44 h GLU 170 Ca 0.16 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3k44 h GLU 170 Cb 0.50 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3k44 h GLU 170 CO 0.02 0.55 -0.17 0.35 -1.16 0.00 0.00 179.01 178.60 3k44 h PHE 171 N 0.74 -0.44 -0.78 4.33 3.04 -1.11 -0.45 116.94 122.28 3k44 h PHE 171 Ca 0.20 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.29 3k44 h PHE 171 Cb -0.01 0.15 -0.15 0.00 2.56 0.00 0.00 35.95 38.50 3k44 h PHE 171 CO -0.02 -0.18 -0.24 -0.09 -2.02 0.00 0.00 178.31 175.76 3k44 h ARG 172 N -0.64 -0.03 -0.38 1.11 2.43 -0.75 -0.46 114.38 115.65 3k44 h ARG 172 Ca -0.05 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3k44 h ARG 172 Cb 0.46 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3k44 h ARG 172 CO 0.08 -0.02 -0.12 -0.44 -1.51 0.00 0.00 179.97 177.96 3k44 h ASP 173 N -0.03 0.67 -0.42 -3.80 3.32 -0.76 -0.75 116.42 114.65 3k44 h ASP 173 Ca 0.36 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3k44 h ASP 173 Cb 0.58 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3k44 h ASP 173 CO -0.82 0.82 0.12 0.00 -1.72 0.00 0.00 179.24 177.64 3k44 h ALA 174 N 1.25 0.55 -0.54 3.45 0.00 -0.44 -2.65 119.26 120.87 3k44 h ALA 174 Ca 0.11 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3k44 h ALA 174 Cb 0.57 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3k44 h ALA 174 CO 0.04 0.21 0.25 -0.07 0.00 0.00 0.00 179.25 179.68 3k44 h LEU 175 N 0.53 0.34 -1.14 0.00 3.38 -0.88 -2.32 115.31 115.23 3k44 h LEU 175 Ca 0.13 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3k44 h LEU 175 Cb 0.29 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3k44 h LEU 175 CO -0.00 0.23 0.59 0.74 0.09 0.00 0.00 178.44 180.09 3k44 h THR 176 N 0.49 1.18 0.00 0.22 2.02 -0.94 0.23 112.91 116.11 3k44 h THR 176 Ca 0.25 -0.40 -0.19 0.00 0.77 0.00 0.00 66.41 66.84 3k44 h THR 176 Cb 0.19 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 3k44 h THR 176 CO -0.19 0.21 -1.45 -2.24 0.37 0.00 0.00 175.52 172.22 3k44 h ASP 177 N 1.15 0.00 -0.84 4.18 2.03 -1.27 -0.85 116.42 120.83 3k44 h ASP 177 Ca 0.34 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.68 3k44 h ASP 177 Cb -0.04 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.40 3k44 h ASP 177 CO -0.09 0.67 0.54 -0.07 -1.03 0.00 0.00 179.24 179.26 3k44 h LEU 178 N 0.00 0.89 -0.55 0.15 3.38 -1.29 -2.99 115.31 114.91 3k44 h LEU 178 Ca -0.18 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 3k44 h LEU 178 Cb 1.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 3k44 h LEU 178 CO 0.05 0.61 -0.68 -0.07 0.09 0.00 0.00 178.44 178.44 3k44 h LEU 179 N 1.04 0.27 -0.25 1.67 3.38 -0.86 0.41 115.31 120.98 3k44 h LEU 179 Ca 0.34 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3k44 h LEU 179 Cb 0.02 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3k44 h LEU 179 CO -0.12 0.87 -0.07 -0.33 0.09 0.00 0.00 178.44 178.88 3k44 h GLU 180 N 0.16 -0.02 0.43 1.13 5.08 -1.10 -0.24 114.58 120.02 3k44 h GLU 180 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3k44 h GLU 180 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3k44 h GLU 180 CO 0.10 -0.01 -0.21 1.49 -1.00 0.00 0.00 179.01 179.39 3k44 h GLU 181 N -0.02 -0.55 0.00 2.33 4.81 -1.47 -3.41 114.58 116.27 3k44 h GLU 181 Ca 0.12 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3k44 h GLU 181 Cb 0.20 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3k44 h GLU 181 CO -0.26 -0.30 -1.17 1.19 -0.73 0.00 0.00 179.01 177.74 3k44 n PHE 182 N -5.17 0.17 -4.04 0.92 3.72 0.13 -4.86 117.46 108.33 3k44 n PHE 182 Ca -0.08 0.05 -0.32 0.00 -0.05 0.00 0.00 57.45 57.05 3k44 n PHE 182 Cb 0.26 -0.36 -0.15 0.00 -0.94 0.00 0.00 39.48 38.29 3k44 n PHE 182 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3k44 s GLY 183 N -3.66 1.64 0.24 1.37 0.00 -0.10 -5.02 107.32 101.79 3k44 s GLY 183 Ca 0.03 -1.80 0.12 0.00 0.00 0.00 0.00 44.72 43.07 3k44 s GLY 183 CO 0.83 0.70 1.49 0.00 0.00 0.00 0.00 173.10 176.12 3k44 h ALA 184 N 7.78 0.70 0.00 3.20 0.00 -1.89 -3.41 119.26 125.63 3k44 h ALA 184 Ca -0.17 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3k44 h ALA 184 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k44 h ALA 184 CO 0.46 0.83 0.00 -1.71 0.00 0.00 0.00 179.25 178.83