#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 2.74 -0.27 5.31 -2.07 0.44 -4.95 119.66 120.86 3k44 s GLN 42 Ca 0.00 -0.64 -0.10 0.00 -1.82 0.00 0.00 55.36 52.80 3k44 s GLN 42 Cb 0.00 -2.64 -0.05 0.00 -1.09 0.00 0.00 33.01 29.23 3k44 s GLN 42 CO 0.00 0.62 0.17 -2.00 -1.32 0.00 0.00 175.29 172.76 3k44 s GLU 43 N -1.57 3.93 -0.06 9.60 2.12 -1.26 -1.19 118.70 130.26 3k44 s GLU 43 Ca 0.19 -0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.19 3k44 s GLU 43 Cb -0.11 -3.60 -0.26 0.00 0.26 0.00 0.00 34.13 30.42 3k44 s GLU 43 CO 0.10 -0.15 0.59 -0.07 -0.54 0.00 0.00 175.26 175.19 3k44 h LEU 44 N 8.23 0.29 -7.00 2.70 4.07 -0.65 -3.49 115.31 119.46 3k44 h LEU 44 Ca -0.36 -0.56 0.04 0.00 0.08 0.00 0.00 57.88 57.08 3k44 h LEU 44 Cb 1.19 -0.09 -0.18 0.00 1.08 0.00 0.00 40.66 42.65 3k44 h LEU 44 CO 0.57 1.50 0.40 0.00 -1.08 0.00 0.00 178.44 179.82 3k44 s ALA 45 N -2.59 -1.81 0.03 1.53 0.00 -1.15 -4.99 121.76 112.78 3k44 s ALA 45 Ca -0.13 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.05 3k44 s ALA 45 Cb 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 3k44 s ALA 45 CO 0.81 -0.51 -0.11 0.99 0.00 0.00 0.00 175.76 176.94 3k44 s THR 46 N -2.15 0.87 -0.01 0.00 2.01 -1.26 -1.20 115.64 113.90 3k44 s THR 46 Ca -0.01 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.20 3k44 s THR 46 Cb -0.01 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 3k44 s THR 46 CO -0.02 -0.02 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.23 3k44 s LYS 47 N -0.95 1.03 -0.07 4.92 -0.14 -0.26 -5.00 119.74 119.28 3k44 s LYS 47 Ca -0.00 -0.45 0.04 0.00 -1.36 0.00 0.00 55.97 54.20 3k44 s LYS 47 Cb -0.07 -1.00 0.00 0.00 -1.68 0.00 0.00 37.83 35.09 3k44 s LYS 47 CO 0.01 0.27 -0.19 1.41 -0.76 0.00 0.00 175.35 176.08 3k44 s MET 48 N -0.28 2.28 -0.03 1.68 -2.45 -1.26 -0.59 119.30 118.64 3k44 s MET 48 Ca 0.05 -0.68 0.06 0.00 -1.25 0.00 0.00 55.69 53.86 3k44 s MET 48 Cb -0.05 -1.84 -0.01 0.00 1.25 0.00 0.00 34.83 34.18 3k44 s MET 48 CO -0.00 0.18 -0.20 -0.51 1.05 0.00 0.00 175.02 175.53 3k44 s LEU 49 N 0.28 2.01 -0.30 4.11 1.02 -0.09 -4.99 118.68 120.74 3k44 s LEU 49 Ca -0.12 -0.38 -0.07 0.00 0.02 0.00 0.00 54.13 53.58 3k44 s LEU 49 Cb -0.15 -1.07 0.01 0.00 0.02 0.00 0.00 46.19 44.99 3k44 s LEU 49 CO 0.05 0.23 0.09 -1.10 0.02 0.00 0.00 176.35 175.64 3k44 s GLN 50 N -0.32 3.14 -0.11 1.70 -0.21 -1.26 -0.79 119.66 121.80 3k44 s GLN 50 Ca 0.04 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 54.58 3k44 s GLN 50 Cb -0.09 -3.39 0.03 0.00 1.00 0.00 0.00 33.01 30.56 3k44 s GLN 50 CO 0.00 -0.43 -0.04 0.42 -2.12 0.00 0.00 175.29 173.13 3k44 s ILE 51 N 1.52 0.76 -1.17 1.08 1.01 -0.18 -4.90 121.20 119.32 3k44 s ILE 51 Ca 0.03 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 3k44 s ILE 51 Cb -0.17 -0.88 0.04 0.00 0.01 0.00 0.00 42.46 41.45 3k44 s ILE 51 CO 0.03 0.26 0.48 1.67 0.00 0.00 0.00 174.94 177.38 3k44 n GLN 52 N 5.02 -0.41 -0.57 2.79 7.27 -1.26 -0.18 117.38 130.04 3k44 n GLN 52 Ca -0.10 0.01 0.00 0.00 0.07 0.00 0.00 57.00 56.98 3k44 n GLN 52 Cb 0.50 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.80 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 -1.99 0.00 -4.86 1.69 3.41 -1.26 -4.95 113.62 105.66 3k44 n SER 53 Ca -0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.26 3k44 n SER 53 Cb 0.53 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 3k44 n SER 53 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3k44 s LYS 54 N -0.29 2.88 0.01 4.33 1.02 0.75 -4.36 119.74 124.07 3k44 s LYS 54 Ca 0.00 -1.15 0.06 0.00 0.02 0.00 0.00 55.97 54.90 3k44 s LYS 54 Cb 0.00 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 3k44 s LYS 54 CO 0.00 0.21 -0.17 1.03 -0.92 0.00 0.00 175.35 175.51 3k44 s ARG 55 N -3.96 2.22 -0.03 1.68 0.52 -0.91 -1.01 118.95 117.45 3k44 s ARG 55 Ca 0.38 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 3k44 s ARG 55 Cb -0.07 -2.25 -0.01 0.00 0.52 0.00 0.00 34.95 33.14 3k44 s ARG 55 CO 0.27 0.57 -0.17 -0.06 0.02 0.00 0.00 175.30 175.92 3k44 s PHE 56 N -0.86 1.67 -0.17 -0.53 0.08 0.03 -0.60 117.98 117.60 3k44 s PHE 56 Ca 0.14 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 3k44 s PHE 56 Cb -0.11 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.23 3k44 s PHE 56 CO 0.04 -0.11 -0.10 0.71 -0.10 0.00 0.00 175.22 175.65 3k44 s TYR 57 N -0.14 2.87 -0.35 0.36 2.02 -0.22 -0.91 117.35 120.98 3k44 s TYR 57 Ca 0.00 -0.84 -0.06 0.00 -0.37 0.00 0.00 57.07 55.81 3k44 s TYR 57 Cb -0.10 -1.95 0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3k44 s TYR 57 CO 0.01 -0.38 0.11 -0.51 -1.57 0.00 0.00 175.55 173.21 3k44 s LEU 58 N 0.84 4.40 -0.21 -1.29 1.02 0.24 -1.19 118.68 122.49 3k44 s LEU 58 Ca -0.03 -1.23 -0.03 0.00 0.02 0.00 0.00 54.13 52.85 3k44 s LEU 58 Cb -0.15 -1.86 -0.01 0.00 0.02 0.00 0.00 46.19 44.19 3k44 s LEU 58 CO 0.01 -0.35 -0.06 -1.81 0.02 0.00 0.00 176.35 174.15 3k44 s ASP 59 N 1.48 4.19 -0.20 2.29 1.01 -0.28 -1.11 116.67 124.06 3k44 s ASP 59 Ca -0.01 -0.40 -0.25 0.00 0.71 0.00 0.00 52.55 52.60 3k44 s ASP 59 Cb -0.20 -1.71 -0.01 0.00 1.01 0.00 0.00 42.92 42.01 3k44 s ASP 59 CO 0.02 0.00 0.83 -0.69 0.21 0.00 0.00 175.17 175.54 3k44 s VAL 60 N 1.32 4.86 0.18 -1.27 1.01 -0.34 -0.68 120.40 125.49 3k44 s VAL 60 Ca 0.04 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.65 3k44 s VAL 60 Cb -0.14 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 3k44 s VAL 60 CO -0.03 -0.01 -0.04 -0.54 0.00 0.00 0.00 175.10 174.47 3k44 s LYS 61 N 2.44 1.16 -0.09 2.72 1.02 0.19 0.15 119.74 127.34 3k44 s LYS 61 Ca 0.37 -1.55 -0.05 0.00 0.02 0.00 0.00 55.97 54.76 3k44 s LYS 61 Cb -0.16 -0.52 0.04 0.00 -0.52 0.00 0.00 37.83 36.67 3k44 s LYS 61 CO 0.10 -0.04 0.21 -1.14 -0.92 0.00 0.00 175.35 173.56 3k44 s GLN 62 N -3.83 0.18 0.00 1.68 0.74 -0.33 -1.06 119.66 117.03 3k44 s GLN 62 Ca 0.22 0.43 0.00 0.00 0.05 0.00 0.00 55.36 56.07 3k44 s GLN 62 Cb 0.05 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.06 3k44 s GLN 62 CO 0.04 -0.14 0.00 0.27 -0.55 0.00 0.00 175.29 174.91 3k44 n ASN 63 N 3.99 0.00 0.03 6.67 2.04 -1.00 -0.42 115.26 126.57 3k44 n ASN 63 Ca -0.23 -0.84 0.06 0.00 -0.44 0.00 0.00 54.58 53.13 3k44 n ASN 63 Cb 0.54 0.00 0.27 0.00 -2.53 0.00 0.00 39.78 38.06 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 0.04 -0.58 -3.83 1.74 -1.26 -0.43 116.66 112.35 3k44 n ARG 64 Ca 0.00 0.38 0.07 0.00 -0.77 0.00 0.00 57.85 57.54 3k44 n ARG 64 Cb 0.00 -1.60 0.31 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.68 3.54 0.00 5.56 1.74 -1.26 -5.06 116.66 119.50 3k44 n ARG 65 Ca 0.02 -2.48 0.00 0.00 -0.77 0.00 0.00 57.85 54.62 3k44 n ARG 65 Cb 0.12 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 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 0.91 -3.00 3.88 -0.13 0.00 0.43 -4.99 105.19 102.29 3k44 n GLY 66 Ca 0.22 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.53 3.59 0.24 1.61 3.52 -1.26 -2.38 118.95 123.73 3k44 s ARG 67 Ca 0.00 -0.05 -0.20 0.00 -0.13 0.00 0.00 55.73 55.35 3k44 s ARG 67 Cb 0.00 -3.10 0.03 0.00 -1.56 0.00 0.00 34.95 30.32 3k44 s ARG 67 CO 0.00 0.67 0.63 -0.59 -0.81 0.00 0.00 175.30 175.20 3k44 s PHE 68 N -1.25 -0.20 -0.22 5.12 -0.12 -0.23 -4.42 117.98 116.67 3k44 s PHE 68 Ca 0.26 -0.18 -0.05 0.00 -0.05 0.00 0.00 56.93 56.90 3k44 s PHE 68 Cb -0.13 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 3k44 s PHE 68 CO 0.14 -1.07 0.00 0.42 -0.05 0.00 0.00 175.22 174.66 3k44 s ILE 69 N -3.88 3.84 -0.11 -4.49 1.01 0.51 -0.64 121.20 117.43 3k44 s ILE 69 Ca 0.10 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 3k44 s ILE 69 Cb -0.03 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 3k44 s ILE 69 CO 0.01 0.40 0.37 -0.75 0.00 0.00 0.00 174.94 174.98 3k44 s LYS 70 N 1.32 4.19 -0.25 2.79 2.20 0.15 -0.47 119.74 129.68 3k44 s LYS 70 Ca 0.04 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 3k44 s LYS 70 Cb -0.15 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3k44 s LYS 70 CO 0.01 0.32 -0.09 0.08 -0.36 0.00 0.00 175.35 175.31 3k44 s VAL 71 N 0.16 2.56 -0.13 4.02 1.01 -0.10 -1.13 120.40 126.79 3k44 s VAL 71 Ca 0.21 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3k44 s VAL 71 Cb -0.14 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3k44 s VAL 71 CO 0.08 0.16 -0.00 0.00 0.00 0.00 0.00 175.10 175.34 3k44 s ALA 72 N 1.25 3.19 -0.09 5.51 0.00 -0.33 -0.95 121.76 130.34 3k44 s ALA 72 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3k44 s ALA 72 Cb -0.17 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 3k44 s ALA 72 CO -0.06 0.37 -0.15 -2.00 0.00 0.00 0.00 175.76 173.92 3k44 s GLU 73 N -0.16 2.96 -0.27 0.00 2.12 0.14 -1.05 118.70 122.43 3k44 s GLU 73 Ca 0.04 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.58 3k44 s GLU 73 Cb -0.13 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 3k44 s GLU 73 CO 0.02 0.38 0.06 0.42 -0.54 0.00 0.00 175.26 175.61 3k44 s ILE 74 N -0.10 4.07 0.92 -3.70 -1.09 0.23 -1.98 121.20 119.55 3k44 s ILE 74 Ca -0.02 -0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 57.84 3k44 s ILE 74 Cb -0.14 -2.98 0.14 0.00 -1.58 0.00 0.00 42.46 37.90 3k44 s ILE 74 CO 0.04 0.23 1.10 -0.83 -1.23 0.00 0.00 174.94 174.25 3k44 s GLY 75 N 1.55 1.59 0.49 6.18 0.00 0.21 -2.15 107.32 115.20 3k44 s GLY 75 Ca 0.05 -0.30 0.16 0.00 0.00 0.00 0.00 44.72 44.63 3k44 s GLY 75 CO 0.02 0.24 2.09 0.00 0.00 0.00 0.00 173.10 175.45 3k44 h ALA 76 N -1.59 1.86 -0.02 3.20 0.00 -1.90 -0.95 119.26 119.86 3k44 h ALA 76 Ca -0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3k44 h ALA 76 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3k44 h ALA 76 CO 0.58 0.09 -0.02 -0.40 0.00 0.00 0.00 179.25 179.50 3k44 n ASP 77 N -4.42 2.24 0.00 0.00 5.75 -1.26 -4.96 116.55 113.90 3k44 n ASP 77 Ca -0.03 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 3k44 n ASP 77 Cb 0.15 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 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 1.27 0.45 3.70 6.12 0.00 -0.36 -5.06 105.19 111.31 3k44 n GLY 78 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 2.52 -3.80 1.61 0.63 -1.26 -4.40 116.66 109.96 3k44 n ARG 79 Ca 0.00 0.91 -0.36 0.00 -0.92 0.00 0.00 57.85 57.48 3k44 n ARG 79 Cb 0.00 -2.73 -0.07 0.00 0.45 0.00 0.00 32.46 30.11 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 1.20 3.82 0.15 -0.14 0.52 -1.26 -0.62 118.95 122.62 3k44 s ARG 80 Ca 0.77 -0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 55.66 3k44 s ARG 80 Cb -0.58 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 31.61 3k44 s ARG 80 CO 0.35 0.54 0.41 -1.54 0.02 0.00 0.00 175.30 175.08 3k44 s SER 81 N -0.33 -0.18 0.03 0.23 1.04 -0.84 -5.01 113.70 108.65 3k44 s SER 81 Ca 0.11 -0.48 -0.08 0.00 0.48 0.00 0.00 55.95 55.98 3k44 s SER 81 Cb -0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3k44 s SER 81 CO 0.01 -0.92 0.17 -1.10 0.98 0.00 0.00 173.24 172.38 3k44 s GLN 82 N -3.86 0.63 0.21 4.02 1.11 -1.26 0.25 119.66 120.76 3k44 s GLN 82 Ca 0.07 -0.60 0.02 0.00 0.01 0.00 0.00 55.36 54.87 3k44 s GLN 82 Cb 0.01 0.26 -0.05 0.00 -1.01 0.00 0.00 33.01 32.22 3k44 s GLN 82 CO -0.07 -0.17 0.01 0.96 0.01 0.00 0.00 175.29 176.03 3k44 s ILE 83 N -2.32 0.81 -0.02 1.08 -4.36 -0.13 -4.39 121.20 111.87 3k44 s ILE 83 Ca -0.07 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.34 3k44 s ILE 83 Cb -0.02 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.42 3k44 s ILE 83 CO -0.03 -0.36 -0.09 -0.31 0.24 0.00 0.00 174.94 174.39 3k44 s TYR 84 N -3.57 0.89 -0.05 1.37 2.02 -1.26 -0.92 117.35 115.82 3k44 s TYR 84 Ca 0.27 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 3k44 s TYR 84 Cb 0.06 -0.62 0.00 0.00 -0.40 0.00 0.00 41.96 41.01 3k44 s TYR 84 CO 0.07 -0.07 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.33 3k44 s LEU 85 N 0.07 1.79 0.72 -1.29 1.43 0.38 -4.98 118.68 116.80 3k44 s LEU 85 Ca -0.01 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3k44 s LEU 85 Cb -0.07 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.36 3k44 s LEU 85 CO 0.00 0.09 1.16 0.00 0.23 0.00 0.00 176.35 177.83 3k44 s ALA 86 N 0.31 2.22 0.47 4.21 0.00 -1.26 -0.37 121.76 127.34 3k44 s ALA 86 Ca -0.08 0.69 0.19 0.00 0.00 0.00 0.00 51.96 52.76 3k44 s ALA 86 Cb -0.12 -3.40 1.21 0.00 0.00 0.00 0.00 23.12 20.80 3k44 s ALA 86 CO 0.02 -1.70 2.06 -0.07 0.00 0.00 0.00 175.76 176.07 3k44 h LEU 87 N -0.33 0.00 -0.21 0.00 4.07 -1.94 -1.52 115.31 115.39 3k44 h LEU 87 Ca -0.47 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.31 3k44 h LEU 87 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 3k44 h LEU 87 CO 0.51 0.13 -0.59 0.77 -1.08 0.00 0.00 178.44 178.18 3k44 h SER 88 N 0.00 0.87 -0.80 -0.43 4.64 -1.96 -2.33 113.55 113.55 3k44 h SER 88 Ca -0.00 -0.58 -0.03 0.00 -0.47 0.00 0.00 61.79 60.71 3k44 h SER 88 Cb 0.25 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3k44 h SER 88 CO 0.02 1.30 0.38 0.74 -0.87 0.00 0.00 176.83 178.40 3k44 h THR 89 N 0.49 1.25 -0.92 2.95 2.02 -1.84 -2.64 112.91 114.23 3k44 h THR 89 Ca -0.02 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3k44 h THR 89 Cb 1.21 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3k44 h THR 89 CO 0.13 0.30 0.55 0.00 0.37 0.00 0.00 175.52 176.87 3k44 h ALA 90 N 1.20 1.24 -0.61 6.16 0.00 -1.25 0.15 119.26 126.16 3k44 h ALA 90 Ca 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3k44 h ALA 90 Cb 0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3k44 h ALA 90 CO -0.03 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.07 3k44 h ALA 91 N 1.34 0.80 -0.56 0.00 0.00 -1.27 0.01 119.26 119.58 3k44 h ALA 91 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3k44 h ALA 91 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3k44 h ALA 91 CO -0.06 0.46 0.30 1.49 0.00 0.00 0.00 179.25 181.44 3k44 h GLU 92 N 0.87 0.78 -0.21 0.00 4.81 -1.17 -2.55 114.58 117.13 3k44 h GLU 92 Ca 0.20 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3k44 h GLU 92 Cb 0.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3k44 h GLU 92 CO -0.01 0.61 0.08 0.35 -0.73 0.00 0.00 179.01 179.31 3k44 h PHE 93 N 0.75 0.32 -0.70 0.92 3.57 -0.34 -1.70 116.94 119.76 3k44 h PHE 93 Ca 0.20 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.82 3k44 h PHE 93 Cb 0.06 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 38.60 3k44 h PHE 93 CO -0.01 0.36 0.07 -0.09 -2.23 0.00 0.00 178.31 176.41 3k44 h ARG 94 N 0.18 0.17 -0.32 1.11 1.12 -1.01 -0.73 114.38 114.90 3k44 h ARG 94 Ca 0.07 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.90 3k44 h ARG 94 Cb 0.18 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.09 3k44 h ARG 94 CO -0.01 0.11 0.09 -0.44 -3.11 0.00 0.00 179.97 176.62 3k44 h ASP 95 N 0.17 0.47 -0.72 -3.80 3.32 -1.19 -2.54 116.42 112.13 3k44 h ASP 95 Ca 0.38 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.28 3k44 h ASP 95 Cb 0.65 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3k44 h ASP 95 CO -0.55 0.56 0.47 0.45 -1.72 0.00 0.00 179.24 178.45 3k44 h HIS 96 N 0.36 0.76 -0.32 4.55 3.86 -0.75 -2.78 115.15 120.83 3k44 h HIS 96 Ca 0.10 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3k44 h HIS 96 Cb 0.26 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3k44 h HIS 96 CO 0.01 0.41 0.01 -0.07 0.86 0.00 0.00 177.93 179.15 3k44 h LEU 97 N 0.75 0.45 -0.40 2.43 3.38 -0.71 0.11 115.31 121.31 3k44 h LEU 97 Ca 0.31 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.21 3k44 h LEU 97 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3k44 h LEU 97 CO -0.10 0.50 0.25 0.28 0.09 0.00 0.00 178.44 179.47 3k44 h SER 98 N 0.47 0.42 -0.32 -0.43 0.02 -1.43 -1.15 113.55 111.13 3k44 h SER 98 Ca 0.10 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3k44 h SER 98 Cb 0.28 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3k44 h SER 98 CO 0.01 0.30 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.60 3k44 h SER 99 N 0.51 0.66 -0.36 3.07 0.87 -1.35 -2.58 113.55 114.37 3k44 h SER 99 Ca 0.15 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.27 3k44 h SER 99 Cb -0.03 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3k44 h SER 99 CO -0.05 0.90 0.07 -0.26 -0.53 0.00 0.00 176.83 176.96 3k44 h PHE 100 N 0.41 0.69 -0.02 2.24 0.04 -0.73 -2.26 116.94 117.30 3k44 h PHE 100 Ca 0.07 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3k44 h PHE 100 Cb 0.64 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 3k44 h PHE 100 CO 0.06 0.62 0.01 1.03 -0.60 0.00 0.00 178.31 179.42 3k44 h SER 101 N 0.65 0.03 -0.91 2.17 0.87 -1.15 -0.11 113.55 115.10 3k44 h SER 101 Ca 0.14 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.68 3k44 h SER 101 Cb 0.30 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 3k44 h SER 101 CO 0.00 0.10 0.58 -0.78 -0.53 0.00 0.00 176.83 176.20 3k44 h ASP 102 N -0.05 0.92 0.33 6.23 3.58 -1.32 -0.60 116.42 125.50 3k44 h ASP 102 Ca 0.01 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 3k44 h ASP 102 Cb 0.08 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.95 3k44 h ASP 102 CO -0.00 0.59 -0.16 0.22 -2.88 0.00 0.00 179.24 177.01 3k44 h TYR 103 N 1.05 -0.41 -0.70 0.28 3.20 -1.31 -2.96 116.97 116.12 3k44 h TYR 103 Ca 0.39 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.38 3k44 h TYR 103 Cb 0.16 0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.48 3k44 h TYR 103 CO -0.02 -0.19 0.25 -0.92 -1.64 0.00 0.00 178.16 175.64 3k44 h TYR 104 N -0.54 0.42 0.00 -3.82 3.20 -0.50 -0.77 116.97 114.97 3k44 h TYR 104 Ca -0.05 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3k44 h TYR 104 Cb 0.40 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3k44 h TYR 104 CO -0.03 0.05 0.00 0.00 -1.64 0.00 0.00 178.16 176.54 3k44 h ALA 105 N 1.52 1.00 -0.00 1.82 0.00 -1.12 -2.81 119.26 119.66 3k44 h ALA 105 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3k44 h ALA 105 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3k44 h ALA 105 CO -0.39 0.00 -0.42 -1.13 0.00 0.00 0.00 179.25 177.30 3k44 n SER 106 N -2.39 0.69 -0.02 0.00 3.41 -0.30 -4.47 113.62 110.54 3k44 n SER 106 Ca 0.02 -0.48 -0.14 0.00 -0.26 0.00 0.00 58.87 58.00 3k44 n SER 106 Cb 0.23 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.42 0.81 0.00 1.04 3.38 -1.41 -3.50 115.31 116.05 3k44 h LEU 107 Ca 0.00 -0.50 0.16 0.00 0.09 0.00 0.00 57.88 57.63 3k44 h LEU 107 Cb 0.50 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3k44 h LEU 107 CO 0.00 1.27 -0.21 0.61 0.09 0.00 0.00 178.44 180.20 3k44 n GLY 108 N 0.53 -1.90 3.77 0.83 0.00 -1.26 -4.89 105.19 102.27 3k44 n GLY 108 Ca -0.05 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.22 2.66 1.37 1.61 0.04 -1.26 -5.06 135.00 133.14 3k44 s PRO 109 Ca 0.00 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.11 3k44 s PRO 109 Cb 0.00 -1.94 0.35 0.00 0.04 0.00 0.00 34.50 32.95 3k44 s PRO 109 CO 0.00 -1.34 0.97 -2.14 0.04 0.00 0.00 177.00 174.52 3k44 s PRO 110 N -4.41 -2.54 0.00 0.56 0.02 -1.26 -5.25 135.00 122.12 3k44 s PRO 110 Ca 0.64 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.82 3k44 s PRO 110 Cb -0.19 -1.42 0.00 0.00 0.02 0.00 0.00 34.50 32.91 3k44 s PRO 110 CO 0.47 -4.62 0.00 -1.71 -0.33 0.00 0.00 177.00 170.81 3k44 n ASN 111 N -5.45 0.00 0.00 2.53 2.85 -1.26 -5.22 115.26 108.71 3k44 n ASN 111 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 3k44 n ASN 111 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 3k44 n ASN 111 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3k44 n ASN 114 N 0.00 0.00 0.00 1.20 6.94 -1.26 -5.20 115.26 116.94 3k44 n ASN 114 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3k44 n ASN 114 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3k44 n ASN 114 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3k44 n LEU 115 N 0.00 0.00 0.00 -4.53 0.00 -1.26 -5.10 117.00 106.11 3k44 n LEU 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3k44 n LEU 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3k44 n LEU 115 CO 0.00 0.00 0.33 -0.81 0.00 0.00 0.00 177.39 176.91 3k44 n PRO 116 N 0.00 0.90 -4.04 1.96 -0.04 -1.26 -5.07 135.00 127.44 3k44 n PRO 116 Ca 0.00 -0.88 -0.31 0.00 -0.04 0.00 0.00 63.50 62.27 3k44 n PRO 116 Cb 0.00 -0.90 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 3k44 n PRO 116 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3k44 s GLU 117 N -0.42 2.96 0.00 0.54 2.02 -1.26 -5.17 118.70 117.37 3k44 s GLU 117 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.35 3k44 s GLU 117 Cb 0.00 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3k44 s GLU 117 CO 0.00 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.27 3k44 n GLY 119 N 0.50 1.43 3.75 -1.39 0.00 -1.26 -4.61 105.19 103.62 3k44 n GLY 119 Ca -0.09 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 -4.26 4.56 -0.09 1.61 1.02 -1.26 -4.50 119.74 116.82 3k44 s LYS 120 Ca 0.00 1.18 0.11 0.00 0.02 0.00 0.00 55.97 57.28 3k44 s LYS 120 Cb 0.00 -3.35 -0.24 0.00 -0.52 0.00 0.00 37.83 33.73 3k44 s LYS 120 CO 0.00 0.33 0.48 1.28 -0.92 0.00 0.00 175.35 176.52 3k44 n LEU 121 N 2.55 0.93 -3.59 3.17 4.32 -0.28 -4.98 117.00 119.13 3k44 n LEU 121 Ca -0.02 0.29 -0.12 0.00 -0.02 0.00 0.00 56.01 56.14 3k44 n LEU 121 Cb 0.50 0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 42.31 3k44 n LEU 121 CO 0.48 0.47 0.65 -0.75 -1.22 0.00 0.00 177.39 177.03 3k44 s LYS 122 N -2.57 0.68 0.00 3.23 2.20 -1.24 -5.01 119.74 117.04 3k44 s LYS 122 Ca -0.08 0.43 -0.00 0.00 -0.36 0.00 0.00 55.97 55.96 3k44 s LYS 122 Cb 0.07 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.72 3k44 s LYS 122 CO 0.81 -0.16 -0.00 -1.12 -0.36 0.00 0.00 175.35 174.52 3k44 s SER 123 N -0.48 0.07 0.16 1.43 0.01 -1.26 -1.58 113.70 112.04 3k44 s SER 123 Ca -0.02 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 3k44 s SER 123 Cb -0.02 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3k44 s SER 123 CO 0.01 -0.09 0.06 -1.61 0.41 0.00 0.00 173.24 172.02 3k44 s GLU 124 N -0.42 1.06 -0.01 12.44 0.41 -0.16 -5.03 118.70 126.99 3k44 s GLU 124 Ca -0.05 -1.52 0.01 0.00 -0.41 0.00 0.00 54.97 53.00 3k44 s GLU 124 Cb -0.03 0.08 0.01 0.00 -1.78 0.00 0.00 34.13 32.41 3k44 s GLU 124 CO -0.00 -0.26 -0.01 1.41 -0.49 0.00 0.00 175.26 175.91 3k44 s MET 125 N -4.03 0.22 0.10 1.61 1.75 -1.26 -1.15 119.30 116.55 3k44 s MET 125 Ca 0.28 -0.01 0.09 0.00 -1.25 0.00 0.00 55.69 54.80 3k44 s MET 125 Cb 0.07 -0.30 -0.04 0.00 2.84 0.00 0.00 34.83 37.40 3k44 s MET 125 CO 0.05 -0.03 -0.22 -1.64 -0.65 0.00 0.00 175.02 172.54 3k44 s MET 126 N 0.40 1.71 -0.05 4.11 -1.94 0.72 -4.97 119.30 119.28 3k44 s MET 126 Ca -0.04 -1.20 0.05 0.00 -1.71 0.00 0.00 55.69 52.80 3k44 s MET 126 Cb -0.06 -2.05 -0.01 0.00 2.01 0.00 0.00 34.83 34.72 3k44 s MET 126 CO -0.01 0.48 -0.21 0.42 -0.01 0.00 0.00 175.02 175.70 3k44 s ILE 127 N -1.06 1.72 -0.31 2.53 -1.09 -1.26 -0.12 121.20 121.60 3k44 s ILE 127 Ca 0.16 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3k44 s ILE 127 Cb -0.10 -1.46 0.14 0.00 -1.58 0.00 0.00 42.46 39.46 3k44 s ILE 127 CO 0.07 0.48 0.31 -0.75 -1.23 0.00 0.00 174.94 173.83 3k44 s LYS 128 N -0.09 0.41 5.14 2.79 2.47 0.37 -4.99 119.74 125.84 3k44 s LYS 128 Ca -0.03 -0.38 0.00 0.00 -1.56 0.00 0.00 55.97 54.00 3k44 s LYS 128 Cb -0.12 -0.70 0.00 0.00 -1.46 0.00 0.00 37.83 35.55 3k44 s LYS 128 CO 0.03 -1.08 0.00 -0.25 0.16 0.00 0.00 175.35 174.21 3k44 n ASP 129 N 4.98 0.00 -0.60 1.43 8.00 -1.26 -0.63 116.55 128.47 3k44 n ASP 129 Ca 0.02 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.65 3k44 n ASP 129 Cb 0.46 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.91 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 0.68 0.00 -3.73 1.24 4.01 -1.26 -4.87 117.16 113.22 3k44 n TYR 130 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3k44 n TYR 130 Cb 0.00 -0.01 -0.09 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 -2.08 4.13 -0.02 -0.72 0.52 0.19 -2.02 118.95 118.95 3k44 s ARG 131 Ca 0.32 -0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.32 3k44 s ARG 131 Cb 0.20 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 3k44 s ARG 131 CO 0.36 0.22 -0.09 1.03 0.02 0.00 0.00 175.30 176.83 3k44 s ARG 132 N 0.59 2.54 -0.17 3.54 0.52 0.03 -0.48 118.95 125.53 3k44 s ARG 132 Ca 0.07 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 3k44 s ARG 132 Cb -0.12 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.92 3k44 s ARG 132 CO 0.00 0.61 -0.11 0.71 0.02 0.00 0.00 175.30 176.54 3k44 s TYR 133 N -0.90 2.15 -0.27 -0.53 2.02 0.83 -1.05 117.35 119.61 3k44 s TYR 133 Ca 0.15 -1.31 -0.13 0.00 -0.37 0.00 0.00 57.07 55.41 3k44 s TYR 133 Cb -0.11 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 3k44 s TYR 133 CO 0.05 -0.68 0.27 0.71 -1.57 0.00 0.00 175.55 174.33 3k44 s TYR 134 N 1.49 3.25 -0.48 2.71 2.02 0.12 -0.20 117.35 126.26 3k44 s TYR 134 Ca 0.02 0.28 -0.13 0.00 -0.37 0.00 0.00 57.07 56.88 3k44 s TYR 134 Cb -0.14 -2.45 0.10 0.00 -0.40 0.00 0.00 41.96 39.06 3k44 s TYR 134 CO -0.09 -0.15 0.39 -0.51 -1.57 0.00 0.00 175.55 173.62 3k44 s LEU 135 N 1.76 5.70 -0.29 -1.29 1.43 -0.30 -1.42 118.68 124.28 3k44 s LEU 135 Ca 0.11 -1.62 0.01 0.00 -1.03 0.00 0.00 54.13 51.60 3k44 s LEU 135 Cb -0.16 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.01 3k44 s LEU 135 CO 0.10 -0.69 -0.04 -1.81 0.23 0.00 0.00 176.35 174.13 3k44 s ASP 136 N 2.80 4.68 -0.38 2.29 1.01 -0.23 -0.99 116.67 125.86 3k44 s ASP 136 Ca 0.04 -1.41 -0.28 0.00 0.71 0.00 0.00 52.55 51.61 3k44 s ASP 136 Cb -0.26 -1.63 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 3k44 s ASP 136 CO 0.03 -0.24 1.74 -0.22 0.21 0.00 0.00 175.17 176.68 3k44 s LEU 137 N 1.15 3.49 0.00 1.23 2.96 -0.62 -0.94 118.68 125.97 3k44 s LEU 137 Ca -0.06 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.97 3k44 s LEU 137 Cb -0.20 -3.39 0.02 0.00 0.50 0.00 0.00 46.19 43.12 3k44 s LEU 137 CO -0.03 -1.74 0.17 0.29 -1.32 0.00 0.00 176.35 173.71 3k44 n LYS 138 N 8.46 0.93 -3.83 1.98 5.02 0.42 -1.12 118.16 130.02 3k44 n LYS 138 Ca 0.21 -2.85 -0.12 0.00 -2.02 0.00 0.00 58.31 53.54 3k44 n LYS 138 Cb 0.48 0.53 -0.12 0.00 -0.02 0.00 0.00 35.03 35.90 3k44 n LYS 138 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3k44 s GLU 139 N -3.64 0.29 0.00 1.97 2.12 -1.26 -1.55 118.70 116.64 3k44 s GLU 139 Ca 0.13 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.52 3k44 s GLU 139 Cb -0.01 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.51 3k44 s GLU 139 CO 0.08 -0.05 0.00 0.27 -0.54 0.00 0.00 175.26 175.02 3k44 n ASN 140 N 2.53 0.00 -0.09 -1.70 2.04 -0.32 -4.89 115.26 112.84 3k44 n ASN 140 Ca -0.15 -0.48 0.16 0.00 -0.44 0.00 0.00 54.58 53.66 3k44 n ASN 140 Cb 0.58 0.00 0.57 0.00 -2.53 0.00 0.00 39.78 38.39 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 1.35 2.22 0.00 -2.53 0.00 -2.00 -2.60 119.26 115.71 3k44 h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k44 h ALA 141 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3k44 h ALA 141 CO 0.00 -0.39 -0.94 -2.13 0.00 0.00 0.00 179.25 175.78 3k44 n ARG 142 N -4.44 0.10 0.00 0.00 0.63 -1.26 -5.06 116.66 106.62 3k44 n ARG 142 Ca 0.12 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 3k44 n ARG 142 Cb 0.52 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.91 3k44 n ARG 142 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k44 n GLY 143 N 1.46 0.98 3.87 5.14 0.00 -0.98 -5.08 105.19 110.58 3k44 n GLY 143 Ca 0.03 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.99 3.54 -0.02 1.61 0.52 -1.26 -1.17 118.95 120.19 3k44 s ARG 144 Ca 0.00 -0.04 -0.13 0.00 -0.52 0.00 0.00 55.73 55.04 3k44 s ARG 144 Cb 0.00 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 32.31 3k44 s ARG 144 CO 0.00 0.74 0.28 -0.59 0.02 0.00 0.00 175.30 175.75 3k44 s PHE 145 N -1.09 -0.16 -0.49 -0.53 -0.71 -0.59 -0.76 117.98 113.65 3k44 s PHE 145 Ca 0.19 0.24 -0.20 0.00 -1.04 0.00 0.00 56.93 56.12 3k44 s PHE 145 Cb -0.13 0.07 0.05 0.00 -1.21 0.00 0.00 43.02 41.80 3k44 s PHE 145 CO 0.08 -0.36 0.67 -1.17 -1.34 0.00 0.00 175.22 173.10 3k44 s LEU 146 N -1.23 4.72 -0.06 -1.99 2.96 0.11 -0.43 118.68 122.76 3k44 s LEU 146 Ca -0.13 -0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 52.81 3k44 s LEU 146 Cb -0.05 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 3k44 s LEU 146 CO 0.04 -0.90 1.17 -0.60 -1.32 0.00 0.00 176.35 174.73 3k44 s ARG 147 N 2.85 4.37 -0.22 1.98 3.52 -0.11 -1.18 118.95 130.16 3k44 s ARG 147 Ca 0.19 1.63 0.02 0.00 -0.13 0.00 0.00 55.73 57.44 3k44 s ARG 147 Cb -0.17 -3.55 0.04 0.00 -1.56 0.00 0.00 34.95 29.71 3k44 s ARG 147 CO 0.15 -0.42 -0.15 0.54 -0.81 0.00 0.00 175.30 174.61 3k44 s VAL 148 N 2.14 2.09 -0.18 7.11 0.11 0.09 -1.07 120.40 130.69 3k44 s VAL 148 Ca 0.55 -1.27 -0.03 0.00 -2.93 0.00 0.00 61.98 58.30 3k44 s VAL 148 Cb -0.24 -2.05 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 3k44 s VAL 148 CO 0.21 0.26 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.76 3k44 s SER 149 N 1.21 4.56 -0.19 3.54 0.01 -0.51 -1.59 113.70 120.73 3k44 s SER 149 Ca -0.02 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 56.94 3k44 s SER 149 Cb -0.16 -1.75 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 3k44 s SER 149 CO -0.09 0.10 0.04 -1.58 0.41 0.00 0.00 173.24 172.11 3k44 s GLN 150 N 0.77 3.83 -0.03 12.44 0.74 0.83 -0.70 119.66 137.54 3k44 s GLN 150 Ca -0.02 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.01 3k44 s GLN 150 Cb -0.15 -3.15 -0.00 0.00 1.10 0.00 0.00 33.01 30.81 3k44 s GLN 150 CO 0.02 0.18 -0.11 0.95 -0.55 0.00 0.00 175.29 175.78 3k44 s THR 151 N 0.60 0.94 -0.39 -0.34 -4.23 -0.21 -1.84 115.64 110.17 3k44 s THR 151 Ca 0.02 -0.46 -0.10 0.00 -1.18 0.00 0.00 61.69 59.96 3k44 s THR 151 Cb -0.13 -0.82 0.04 0.00 1.34 0.00 0.00 72.50 72.93 3k44 s THR 151 CO 0.02 0.28 0.22 -0.63 -0.54 0.00 0.00 174.62 173.96 3k44 s ILE 152 N 0.08 4.44 0.85 2.99 1.09 -1.13 -0.79 121.20 128.73 3k44 s ILE 152 Ca -0.02 -1.02 -0.11 0.00 -1.10 0.00 0.00 60.65 58.40 3k44 s ILE 152 Cb -0.08 -3.54 0.10 0.00 -1.06 0.00 0.00 42.46 37.88 3k44 s ILE 152 CO 0.01 -0.31 1.09 0.42 -0.10 0.00 0.00 174.94 176.05 3k44 s THR 153 N 1.51 2.89 -1.11 2.92 -4.23 -0.86 -1.21 115.64 115.55 3k44 s THR 153 Ca 0.02 0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 3k44 s THR 153 Cb -0.20 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 70.88 3k44 s THR 153 CO 0.05 -0.38 0.88 0.54 -0.54 0.00 0.00 174.62 175.17 3k44 n ARG 154 N -3.76 -6.01 0.00 3.99 3.00 -1.26 -4.05 116.66 108.57 3k44 n ARG 154 Ca 0.08 0.67 0.00 0.00 -0.01 0.00 0.00 57.85 58.59 3k44 n ARG 154 Cb 0.54 -5.21 0.00 0.00 0.00 0.00 0.00 32.46 27.80 3k44 n ARG 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k44 n GLY 155 N -1.66 0.98 3.40 -0.13 0.00 -1.25 -5.11 105.19 101.41 3k44 n GLY 155 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.57 -1.83 3.79 -0.02 0.00 -0.35 -5.05 105.19 101.16 3k44 n GLY 156 Ca 0.00 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 3k44 n GLY 156 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k44 s PRO 157 N -5.52 3.77 0.18 1.61 0.04 -1.26 -4.70 135.00 129.11 3k44 s PRO 157 Ca 0.67 1.41 0.08 0.00 0.04 0.00 0.00 61.00 63.20 3k44 s PRO 157 Cb -0.03 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3k44 s PRO 157 CO 0.48 -0.47 -0.06 -0.98 0.04 0.00 0.00 177.00 176.02 3k44 s ARG 158 N -3.18 2.20 0.03 4.56 1.70 -1.26 -2.85 118.95 120.14 3k44 s ARG 158 Ca 0.67 -1.20 -0.29 0.00 -0.47 0.00 0.00 55.73 54.44 3k44 s ARG 158 Cb -0.18 -2.24 0.10 0.00 -0.57 0.00 0.00 34.95 32.06 3k44 s ARG 158 CO 0.21 0.44 1.05 -1.54 -1.08 0.00 0.00 175.30 174.38 3k44 s SER 159 N -2.87 -0.19 0.09 -2.89 1.04 -0.76 -5.01 113.70 103.09 3k44 s SER 159 Ca 0.26 -0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 3k44 s SER 159 Cb -0.09 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.38 3k44 s SER 159 CO 0.17 -0.61 0.26 0.00 0.98 0.00 0.00 173.24 174.04 3k44 s GLN 160 N -2.94 0.88 0.14 4.02 -2.07 -1.26 -0.12 119.66 118.31 3k44 s GLN 160 Ca 0.10 -0.79 0.07 0.00 -1.82 0.00 0.00 55.36 52.92 3k44 s GLN 160 Cb 0.00 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 3k44 s GLN 160 CO -0.03 -0.30 -0.16 0.96 -1.32 0.00 0.00 175.29 174.44 3k44 s ILE 161 N -3.51 1.56 -0.30 3.63 -4.36 -0.62 -4.30 121.20 113.29 3k44 s ILE 161 Ca 0.02 -1.82 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 3k44 s ILE 161 Cb 0.03 -1.69 0.08 0.00 1.25 0.00 0.00 42.46 42.13 3k44 s ILE 161 CO -0.09 -0.38 0.01 0.00 0.24 0.00 0.00 174.94 174.72 3k44 s ALA 162 N -2.12 2.40 -0.44 2.27 0.00 -1.26 -0.73 121.76 121.87 3k44 s ALA 162 Ca 0.12 -1.99 -0.19 0.00 0.00 0.00 0.00 51.96 49.90 3k44 s ALA 162 Cb -0.05 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.38 3k44 s ALA 162 CO 0.05 -1.48 0.58 -1.17 0.00 0.00 0.00 175.76 173.73 3k44 s LEU 163 N 1.17 4.68 0.22 0.00 1.98 -0.33 -4.89 118.68 121.50 3k44 s LEU 163 Ca 0.03 -0.53 -0.32 0.00 -2.89 0.00 0.00 54.13 50.42 3k44 s LEU 163 Cb -0.19 -2.58 -0.14 0.00 0.66 0.00 0.00 46.19 43.94 3k44 s LEU 163 CO -0.10 -0.74 1.28 -2.65 -1.89 0.00 0.00 176.35 172.25 3k44 n PRO 164 N 6.06 1.64 -0.19 0.98 -0.02 -1.26 0.10 135.00 142.31 3k44 n PRO 164 Ca -0.04 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 3k44 n PRO 164 Cb 0.47 -2.16 0.48 0.00 -0.02 0.00 0.00 33.50 32.27 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 3.73 2.06 0.00 3.55 0.00 -1.26 -1.40 119.26 125.94 3k44 h ALA 165 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3k44 h ALA 165 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3k44 h ALA 165 CO 0.72 -0.28 0.12 -0.56 0.00 0.00 0.00 179.25 179.26 3k44 h GLN 166 N 0.47 0.00 -0.37 0.00 3.07 -1.88 -2.36 115.11 114.03 3k44 h GLN 166 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.13 3k44 h GLN 166 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.39 3k44 h GLN 166 CO -0.14 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.19 3k44 n GLY 167 N -1.19 1.69 0.27 0.06 0.00 -0.53 -4.63 105.19 100.87 3k44 n GLY 167 Ca -0.02 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 4.48 0.92 -0.74 1.61 2.86 -1.55 -0.56 114.93 121.95 3k44 h MET 168 Ca 0.00 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 3k44 h MET 168 Cb 0.99 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3k44 h MET 168 CO 0.00 0.70 0.22 0.82 1.06 0.00 0.00 176.91 179.71 3k44 h ILE 169 N 0.90 1.26 -0.53 -1.22 1.08 -1.83 0.11 117.51 117.29 3k44 h ILE 169 Ca 0.23 -0.93 -0.06 0.00 -0.39 0.00 0.00 64.86 63.71 3k44 h ILE 169 Cb 0.05 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 3k44 h ILE 169 CO -0.04 0.36 0.09 -0.33 -0.69 0.00 0.00 178.15 177.54 3k44 h GLU 170 N 1.11 0.87 -0.03 2.37 4.39 -1.68 0.03 114.58 121.64 3k44 h GLU 170 Ca 0.24 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3k44 h GLU 170 Cb 0.33 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3k44 h GLU 170 CO -0.01 0.85 0.01 0.35 -1.16 0.00 0.00 179.01 179.06 3k44 h PHE 171 N 0.76 0.05 -0.36 4.33 3.04 -0.96 -0.85 116.94 122.95 3k44 h PHE 171 Ca 0.16 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.18 3k44 h PHE 171 Cb 0.40 -0.01 -0.08 0.00 2.56 0.00 0.00 35.95 38.82 3k44 h PHE 171 CO 0.03 0.23 -0.24 -0.09 -2.02 0.00 0.00 178.31 176.22 3k44 h ARG 172 N -0.15 -0.18 -0.82 1.11 2.43 -0.64 -1.06 114.38 115.08 3k44 h ARG 172 Ca 0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3k44 h ARG 172 Cb 0.21 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3k44 h ARG 172 CO -0.00 -0.12 0.49 -0.44 -1.51 0.00 0.00 179.97 178.39 3k44 h ASP 173 N -0.19 0.98 -0.56 -3.80 3.32 -0.91 -0.58 116.42 114.68 3k44 h ASP 173 Ca 0.18 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.21 3k44 h ASP 173 Cb 0.47 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 3k44 h ASP 173 CO -0.47 0.76 0.29 0.00 -1.72 0.00 0.00 179.24 178.10 3k44 h ALA 174 N 1.26 0.72 -0.68 3.45 0.00 -0.73 -2.37 119.26 120.91 3k44 h ALA 174 Ca 0.29 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3k44 h ALA 174 Cb -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3k44 h ALA 174 CO -0.05 -0.05 0.21 -0.07 0.00 0.00 0.00 179.25 179.29 3k44 h LEU 175 N 0.55 0.99 -0.88 0.00 4.07 -0.90 -2.29 115.31 116.86 3k44 h LEU 175 Ca 0.25 -0.21 0.03 0.00 0.08 0.00 0.00 57.88 58.02 3k44 h LEU 175 Cb 0.15 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.58 3k44 h LEU 175 CO -0.17 0.94 0.58 0.74 -1.08 0.00 0.00 178.44 179.45 3k44 h THR 176 N 1.00 1.17 0.00 0.22 2.02 -0.82 0.75 112.91 117.25 3k44 h THR 176 Ca 0.22 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 3k44 h THR 176 Cb 0.30 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 3k44 h THR 176 CO -0.01 0.21 -1.09 -2.24 0.37 0.00 0.00 175.52 172.76 3k44 h ASP 177 N 1.14 0.00 -0.50 4.18 2.03 -1.27 -1.23 116.42 120.76 3k44 h ASP 177 Ca 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 3k44 h ASP 177 Cb -0.04 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.43 3k44 h ASP 177 CO -0.10 0.51 0.32 -0.07 -1.03 0.00 0.00 179.24 178.87 3k44 h LEU 178 N 0.00 0.59 -0.88 0.15 3.38 -1.24 -3.06 115.31 114.25 3k44 h LEU 178 Ca -0.10 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3k44 h LEU 178 Cb 1.48 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3k44 h LEU 178 CO 0.05 0.45 -0.03 -0.07 0.09 0.00 0.00 178.44 178.93 3k44 h LEU 179 N 0.67 0.76 -0.92 1.67 3.38 -0.75 -1.57 115.31 118.55 3k44 h LEU 179 Ca 0.18 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3k44 h LEU 179 Cb -0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3k44 h LEU 179 CO -0.04 0.85 0.35 -0.33 0.09 0.00 0.00 178.44 179.36 3k44 h GLU 180 N 0.73 1.12 0.08 1.13 5.08 -1.22 -1.27 114.58 120.24 3k44 h GLU 180 Ca 0.14 -0.17 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 3k44 h GLU 180 Cb 0.50 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3k44 h GLU 180 CO 0.03 0.88 -1.26 0.93 -1.00 0.00 0.00 179.01 178.59 3k44 h GLU 181 N 1.11 0.16 0.00 2.33 4.39 -1.42 -3.39 114.58 117.75 3k44 h GLU 181 Ca 0.26 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3k44 h GLU 181 Cb 0.15 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3k44 h GLU 181 CO -0.03 1.07 0.00 1.19 -1.16 0.00 0.00 179.01 180.09 3k44 n PHE 182 N -3.42 0.00 0.43 4.33 3.72 -0.61 -5.12 117.46 116.79 3k44 n PHE 182 Ca -0.08 -0.23 0.05 0.00 -0.05 0.00 0.00 57.45 57.14 3k44 n PHE 182 Cb 1.00 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 39.56 3k44 n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12