#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k47 n ARG 2 N 0.00 0.00 -1.72 1.45 0.63 -1.26 -4.74 116.66 111.02 3k47 n ARG 2 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3k47 n ARG 2 Cb 0.00 -0.32 -0.01 0.00 0.45 0.00 0.00 32.46 32.58 3k47 n ARG 2 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3k47 n PRO 3 N -3.41 2.34 -3.38 -0.14 -0.02 -1.26 -4.76 135.00 124.36 3k47 n PRO 3 Ca 0.00 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 3k47 n PRO 3 Cb 0.04 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 30.95 3k47 n PRO 3 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k47 s LEU 4 N -1.04 4.45 -0.35 2.45 1.02 -0.54 -4.35 118.68 120.31 3k47 s LEU 4 Ca 0.58 -0.23 -0.16 0.00 0.02 0.00 0.00 54.13 54.34 3k47 s LEU 4 Cb -0.55 -2.37 -0.01 0.00 0.02 0.00 0.00 46.19 43.29 3k47 s LEU 4 CO 0.59 -0.36 0.40 0.20 0.02 0.00 0.00 176.35 177.20 3k47 s ASN 5 N 1.74 6.21 0.12 2.29 0.01 -0.77 -0.75 114.94 123.79 3k47 s ASN 5 Ca 0.13 -0.24 -0.16 0.00 -0.71 0.00 0.00 52.86 51.88 3k47 s ASN 5 Cb -0.16 -2.21 -0.07 0.00 0.41 0.00 0.00 41.25 39.21 3k47 s ASN 5 CO 0.12 -0.39 0.55 0.00 -1.51 0.00 0.00 177.10 175.87 3k47 s ILE 7 N -1.34 0.32 0.03 0.00 2.07 -0.89 0.01 121.20 121.40 3k47 s ILE 7 Ca 0.34 -0.05 -0.23 0.00 -1.41 0.00 0.00 60.65 59.31 3k47 s ILE 7 Cb -0.16 -0.36 0.05 0.00 0.13 0.00 0.00 42.46 42.12 3k47 s ILE 7 CO 0.19 0.15 0.52 0.54 -1.91 0.00 0.00 174.94 174.44 3k47 s VAL 8 N 0.68 0.03 -0.08 4.00 0.11 -0.78 -4.63 120.40 119.73 3k47 s VAL 8 Ca -0.08 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3k47 s VAL 8 Cb -0.11 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 3k47 s VAL 8 CO -0.01 -0.13 -0.13 0.00 -3.33 0.00 0.00 175.10 171.51 3k47 s ALA 9 N -2.14 2.70 -0.05 1.54 0.00 -1.26 -1.11 121.76 121.44 3k47 s ALA 9 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.98 3k47 s ALA 9 Cb -0.01 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 22.03 3k47 s ALA 9 CO 0.01 0.45 -0.09 0.14 0.00 0.00 0.00 175.76 176.27 3k47 s VAL 10 N -0.36 0.85 0.94 0.00 -7.23 0.48 -4.66 120.40 110.42 3k47 s VAL 10 Ca 0.04 -0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 59.75 3k47 s VAL 10 Cb -0.12 -0.79 0.15 0.00 0.56 0.00 0.00 36.38 36.18 3k47 s VAL 10 CO 0.02 0.28 1.10 -0.94 -0.31 0.00 0.00 175.10 175.25 3k47 s SER 11 N 0.58 3.14 0.37 4.85 1.04 0.10 -0.92 113.70 122.86 3k47 s SER 11 Ca -0.10 1.28 0.10 0.00 0.48 0.00 0.00 55.95 57.71 3k47 s SER 11 Cb -0.13 -1.94 0.87 0.00 0.10 0.00 0.00 66.02 64.91 3k47 s SER 11 CO 0.02 -2.82 1.88 -0.61 0.98 0.00 0.00 173.24 172.69 3k47 h GLN 12 N -1.68 0.61 -0.08 4.02 4.15 -0.82 -0.08 115.11 121.24 3k47 h GLN 12 Ca -0.52 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.86 3k47 h GLN 12 Cb 1.31 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3k47 h GLN 12 CO 0.57 0.41 0.00 0.27 -1.93 0.00 0.00 178.83 178.15 3k47 n ASN 13 N -4.54 1.23 0.00 -0.69 6.94 -1.26 -4.90 115.26 112.04 3k47 n ASN 13 Ca 0.16 -1.52 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 3k47 n ASN 13 Cb 0.47 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 3k47 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3k47 n MET 14 N -0.01 0.00 -2.62 -3.83 2.81 -0.04 -4.97 117.12 108.46 3k47 n MET 14 Ca 0.18 0.09 -0.40 0.00 -1.81 0.00 0.00 57.70 55.76 3k47 n MET 14 Cb 0.28 -0.90 -0.05 0.00 -0.71 0.00 0.00 33.22 31.84 3k47 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3k47 s GLY 15 N -2.18 3.09 0.06 3.03 0.00 -1.25 -0.27 107.32 109.79 3k47 s GLY 15 Ca 0.00 0.75 -0.00 0.00 0.00 0.00 0.00 44.72 45.47 3k47 s GLY 15 CO 0.00 1.35 -0.04 -0.26 0.00 0.00 0.00 173.10 174.15 3k47 s ILE 16 N -1.12 0.35 0.15 0.90 -4.36 -1.02 0.03 121.20 116.12 3k47 s ILE 16 Ca 0.43 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3k47 s ILE 16 Cb -0.29 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 41.94 3k47 s ILE 16 CO 0.36 -0.93 0.00 0.61 0.24 0.00 0.00 174.94 175.22 3k47 n GLY 17 N 0.17 -2.61 2.77 6.27 0.00 -1.25 -3.88 105.19 106.66 3k47 n GLY 17 Ca -0.14 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 3k47 n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k47 s LYS 18 N -0.82 -0.01 -1.62 1.61 2.47 1.09 -1.51 119.74 120.94 3k47 s LYS 18 Ca 0.00 0.46 -0.17 0.00 -1.56 0.00 0.00 55.97 54.70 3k47 s LYS 18 Cb 0.00 -0.36 0.14 0.00 -1.46 0.00 0.00 37.83 36.15 3k47 s LYS 18 CO 0.00 -0.30 0.81 0.09 0.16 0.00 0.00 175.35 176.11 3k47 n ASN 19 N 5.19 -3.75 0.00 1.43 3.02 -1.26 -0.93 115.26 118.96 3k47 n ASN 19 Ca -0.06 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3k47 n ASN 19 Cb 0.50 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 3k47 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k47 n GLY 20 N -1.44 0.49 3.29 7.41 0.00 -1.26 -5.00 105.19 108.69 3k47 n GLY 20 Ca 0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3k47 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k47 s ASP 21 N -2.81 0.07 0.46 1.61 -1.08 -0.10 -4.88 116.67 109.94 3k47 s ASP 21 Ca 0.00 -0.81 -0.22 0.00 -0.52 0.00 0.00 52.55 51.00 3k47 s ASP 21 Cb 0.00 0.40 -0.08 0.00 -1.46 0.00 0.00 42.92 41.79 3k47 s ASP 21 CO 0.00 -0.84 1.11 -0.76 0.52 0.00 0.00 175.17 175.20 3k47 s LEU 22 N -2.94 3.98 0.55 -1.34 1.43 -1.26 0.35 118.68 119.45 3k47 s LEU 22 Ca 0.14 2.16 0.31 0.00 -1.03 0.00 0.00 54.13 55.71 3k47 s LEU 22 Cb 0.04 -4.33 1.60 0.00 0.03 0.00 0.00 46.19 43.53 3k47 s LEU 22 CO -0.03 -0.84 2.11 -0.65 0.23 0.00 0.00 176.35 177.17 3k47 h PRO 23 N 1.95 0.00 -6.25 1.29 0.11 -1.85 -3.39 132.00 123.86 3k47 h PRO 23 Ca -0.49 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 3k47 h PRO 23 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 3k47 h PRO 23 CO 0.60 0.08 -0.75 1.67 -0.21 0.00 0.00 178.00 179.39 3k47 s TRP 24 N -4.10 2.36 0.93 0.65 -2.14 -1.26 -4.72 118.94 110.67 3k47 s TRP 24 Ca -0.03 -0.31 -0.11 0.00 2.66 0.00 0.00 56.10 58.31 3k47 s TRP 24 Cb 0.12 -1.04 0.15 0.00 -3.10 0.00 0.00 33.47 29.60 3k47 s TRP 24 CO 0.55 0.68 1.09 -1.25 -2.66 0.00 0.00 176.95 175.36 3k47 s PRO 25 N -3.44 0.95 -0.44 3.25 0.04 -1.26 -4.86 135.00 129.24 3k47 s PRO 25 Ca 0.29 1.02 -0.44 0.00 0.04 0.00 0.00 61.00 61.91 3k47 s PRO 25 Cb -0.06 -1.76 -0.18 0.00 0.04 0.00 0.00 34.50 32.54 3k47 s PRO 25 CO 0.15 -2.51 1.73 -2.30 0.04 0.00 0.00 177.00 174.11 3k47 n PRO 26 N -4.09 0.36 -3.12 0.56 -0.02 -1.26 -4.92 135.00 122.50 3k47 n PRO 26 Ca 0.08 0.13 -0.45 0.00 -2.02 0.00 0.00 63.50 61.23 3k47 n PRO 26 Cb 0.54 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 3k47 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k47 s LEU 27 N 3.69 5.76 0.27 2.45 1.43 -1.26 -4.95 118.68 126.07 3k47 s LEU 27 Ca 1.05 -2.09 0.09 0.00 -1.03 0.00 0.00 54.13 52.15 3k47 s LEU 27 Cb -1.36 -2.30 0.35 0.00 0.03 0.00 0.00 46.19 42.91 3k47 s LEU 27 CO 0.74 -0.91 1.61 0.03 0.23 0.00 0.00 176.35 178.06 3k47 h ARG 28 N 8.57 0.08 0.09 1.70 3.08 -1.96 -2.44 114.38 123.49 3k47 h ARG 28 Ca 0.00 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.73 3k47 h ARG 28 Cb 1.05 0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.12 3k47 h ARG 28 CO 0.98 0.65 -1.16 -0.91 -1.07 0.00 0.00 179.97 178.46 3k47 h ASN 29 N 0.06 0.70 -0.83 7.04 2.35 -1.99 -2.60 115.58 120.31 3k47 h ASN 29 Ca -0.01 -0.64 -0.01 0.00 -0.55 0.00 0.00 56.30 55.10 3k47 h ASN 29 Cb 1.06 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.17 3k47 h ASN 29 CO 0.08 1.46 0.49 -0.08 -1.65 0.00 0.00 177.43 177.73 3k47 h GLU 30 N 0.23 1.14 -0.98 0.81 4.22 -1.98 -2.57 114.58 115.46 3k47 h GLU 30 Ca -0.15 -0.11 0.07 0.00 0.08 0.00 0.00 59.36 59.25 3k47 h GLU 30 Cb 1.84 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.78 3k47 h GLU 30 CO 0.21 0.81 0.62 0.35 -2.18 0.00 0.00 179.01 178.83 3k47 h PHE 31 N 1.15 1.15 -0.46 0.92 3.57 -1.40 -1.92 116.94 119.97 3k47 h PHE 31 Ca 0.30 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.92 3k47 h PHE 31 Cb -0.02 -0.38 -0.09 0.00 2.79 0.00 0.00 35.95 38.25 3k47 h PHE 31 CO 0.01 0.57 -0.16 0.87 -2.23 0.00 0.00 178.31 177.37 3k47 h LYS 32 N 1.11 -0.05 -0.90 1.11 6.56 -1.06 0.12 116.57 123.47 3k47 h LYS 32 Ca 0.43 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.01 3k47 h LYS 32 Cb 0.21 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.84 3k47 h LYS 32 CO -0.19 -0.03 0.52 -0.92 -2.06 0.00 0.00 179.45 176.77 3k47 h TYR 33 N -0.05 1.20 -0.67 -1.35 5.03 -1.22 -0.97 116.97 118.95 3k47 h TYR 33 Ca 0.22 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 3k47 h TYR 33 Cb 0.39 -0.39 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 3k47 h TYR 33 CO -0.43 0.81 0.35 0.35 -1.32 0.00 0.00 178.16 177.92 3k47 h PHE 34 N 1.24 0.94 0.01 -3.82 3.57 -0.82 -2.24 116.94 115.83 3k47 h PHE 34 Ca 0.32 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3k47 h PHE 34 Cb -0.02 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.43 3k47 h PHE 34 CO 0.00 0.69 -0.01 1.96 -2.23 0.00 0.00 178.31 178.73 3k47 h GLN 35 N 0.92 -0.01 -0.61 1.11 1.08 -0.24 -2.07 115.11 115.30 3k47 h GLN 35 Ca 0.23 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.51 3k47 h GLN 35 Cb 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 3k47 h GLN 35 CO -0.03 0.32 0.27 -0.09 -0.95 0.00 0.00 178.83 178.35 3k47 h ARG 36 N -0.36 0.48 -0.10 1.46 2.43 -1.23 -0.72 114.38 116.34 3k47 h ARG 36 Ca -0.00 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3k47 h ARG 36 Cb 0.35 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3k47 h ARG 36 CO 0.00 0.32 -0.22 0.52 -1.51 0.00 0.00 179.97 179.08 3k47 h MET 37 N 0.49 0.33 -0.05 0.20 2.86 -1.39 0.11 114.93 117.48 3k47 h MET 37 Ca 0.29 -0.21 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 3k47 h MET 37 Cb 0.30 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3k47 h MET 37 CO -0.25 0.81 -0.52 1.79 1.06 0.00 0.00 176.91 179.80 3k47 h THR 38 N -0.11 1.36 0.17 2.22 1.35 -1.39 -3.27 112.91 113.23 3k47 h THR 38 Ca 0.00 -1.79 -0.33 0.00 -0.55 0.00 0.00 66.41 63.74 3k47 h THR 38 Cb 0.81 1.91 0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3k47 h THR 38 CO 0.05 0.52 -1.59 0.74 -0.25 0.00 0.00 175.52 174.99 3k47 h THR 39 N 0.11 1.11 -1.78 6.82 2.02 -1.18 -3.42 112.91 116.59 3k47 h THR 39 Ca 0.00 -2.69 -0.47 0.00 0.77 0.00 0.00 66.41 64.02 3k47 h THR 39 Cb 0.96 2.82 -0.04 0.00 -1.74 0.00 0.00 68.15 70.15 3k47 h THR 39 CO 0.08 0.84 1.25 -0.89 0.37 0.00 0.00 175.52 177.16 3k47 s THR 40 N -2.60 3.38 0.77 3.16 2.01 0.38 -4.53 115.64 118.22 3k47 s THR 40 Ca -0.11 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.88 3k47 s THR 40 Cb 0.06 -3.99 0.05 0.00 0.01 0.00 0.00 72.50 68.63 3k47 s THR 40 CO 0.87 -0.96 1.08 -0.55 -0.69 0.00 0.00 174.62 174.38 3k47 s SER 41 N 7.93 4.66 0.00 3.53 0.15 -1.26 -4.96 113.70 123.74 3k47 s SER 41 Ca 0.66 1.50 0.10 0.00 0.70 0.00 0.00 55.95 58.91 3k47 s SER 41 Cb -0.11 -2.27 0.11 0.00 -1.71 0.00 0.00 66.02 62.04 3k47 s SER 41 CO 0.17 -1.89 0.89 -1.54 1.20 0.00 0.00 173.24 172.07 3k47 n SER 42 N -3.40 2.00 -3.94 5.45 3.41 -1.26 -4.86 113.62 111.01 3k47 n SER 42 Ca 0.07 -1.52 -0.23 0.00 -0.26 0.00 0.00 58.87 56.94 3k47 n SER 42 Cb 0.55 -0.04 -0.17 0.00 -0.26 0.00 0.00 64.21 64.29 3k47 n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k47 s VAL 43 N -0.85 0.83 0.45 -3.33 1.01 -1.26 -5.13 120.40 112.13 3k47 s VAL 43 Ca 0.13 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 3k47 s VAL 43 Cb 0.09 -0.81 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 3k47 s VAL 43 CO 0.12 0.30 1.41 -0.70 0.00 0.00 0.00 175.10 176.23 3k47 s GLU 44 N 0.93 3.67 0.00 2.72 2.56 -1.26 -2.47 118.70 124.85 3k47 s GLU 44 Ca -0.10 2.38 0.00 0.00 0.00 0.00 0.00 54.97 57.24 3k47 s GLU 44 Cb -0.15 -2.63 0.00 0.00 2.00 0.00 0.00 34.13 33.35 3k47 s GLU 44 CO 0.01 -0.82 0.00 0.41 -0.56 0.00 0.00 175.26 174.30 3k47 n GLY 45 N 0.60 2.77 3.86 -1.50 0.00 -1.26 -5.03 105.19 104.63 3k47 n GLY 45 Ca 0.05 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 3k47 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k47 s LYS 46 N 0.00 3.65 0.08 1.61 1.02 -1.03 -4.92 119.74 120.15 3k47 s LYS 46 Ca 0.00 0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.11 3k47 s LYS 46 Cb 0.00 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 3k47 s LYS 46 CO 0.00 0.71 0.04 -0.65 -0.92 0.00 0.00 175.35 174.54 3k47 s GLN 47 N -1.22 2.73 0.66 1.68 -0.21 -0.63 -4.68 119.66 117.98 3k47 s GLN 47 Ca 0.21 -0.75 -0.12 0.00 0.02 0.00 0.00 55.36 54.72 3k47 s GLN 47 Cb -0.14 -2.64 -0.01 0.00 1.00 0.00 0.00 33.01 31.22 3k47 s GLN 47 CO 0.10 0.56 1.06 -0.80 -2.12 0.00 0.00 175.29 174.09 3k47 s ASN 48 N -2.32 5.53 -0.02 5.90 -0.87 -1.26 -0.64 114.94 121.27 3k47 s ASN 48 Ca 0.27 1.68 0.06 0.00 -1.57 0.00 0.00 52.86 53.30 3k47 s ASN 48 Cb -0.12 -2.51 -0.01 0.00 -0.02 0.00 0.00 41.25 38.59 3k47 s ASN 48 CO 0.20 -1.34 -0.19 -0.22 -2.57 0.00 0.00 177.10 172.99 3k47 s LEU 49 N -5.18 2.02 -0.04 0.60 1.98 0.08 -1.28 118.68 116.86 3k47 s LEU 49 Ca 0.60 -0.34 0.05 0.00 -2.89 0.00 0.00 54.13 51.55 3k47 s LEU 49 Cb -0.15 -0.96 -0.02 0.00 0.66 0.00 0.00 46.19 45.72 3k47 s LEU 49 CO 0.49 0.22 -0.19 0.68 -1.89 0.00 0.00 176.35 175.66 3k47 s VAL 50 N -0.39 2.68 -0.11 1.68 -7.23 0.87 -0.22 120.40 117.68 3k47 s VAL 50 Ca 0.06 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 3k47 s VAL 50 Cb -0.08 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 3k47 s VAL 50 CO -0.00 0.59 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.58 3k47 s ILE 51 N -0.67 2.79 0.05 -0.62 1.01 0.08 -0.11 121.20 123.73 3k47 s ILE 51 Ca 0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3k47 s ILE 51 Cb -0.10 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3k47 s ILE 51 CO 0.00 0.54 0.00 0.00 0.00 0.00 0.00 174.94 175.49 3k47 s MET 52 N 0.16 0.64 0.67 2.79 0.23 -0.23 -1.69 119.30 121.86 3k47 s MET 52 Ca -0.09 -1.16 -0.13 0.00 -1.03 0.00 0.00 55.69 53.28 3k47 s MET 52 Cb -0.15 0.23 0.00 0.00 -1.53 0.00 0.00 34.83 33.37 3k47 s MET 52 CO 0.05 -0.13 1.07 0.20 -2.03 0.00 0.00 175.02 174.19 3k47 s GLY 53 N -2.87 1.91 0.25 3.16 0.00 0.13 -1.86 107.32 108.04 3k47 s GLY 53 Ca 0.06 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.05 3k47 s GLY 53 CO -0.10 0.63 1.82 -0.09 0.00 0.00 0.00 173.10 175.36 3k47 h ARG 54 N -0.28 0.83 -0.36 2.90 2.43 -1.59 -2.24 114.38 116.07 3k47 h ARG 54 Ca -0.45 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 3k47 h ARG 54 Cb 1.22 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 3k47 h ARG 54 CO 0.55 0.55 -0.13 0.87 -1.51 0.00 0.00 179.97 180.30 3k47 h LYS 55 N 0.86 0.65 -0.70 0.20 1.57 -1.93 -1.75 116.57 115.47 3k47 h LYS 55 Ca 0.41 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3k47 h LYS 55 Cb 0.35 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3k47 h LYS 55 CO -0.24 0.76 0.41 1.15 -0.57 0.00 0.00 179.45 180.96 3k47 h THR 56 N 0.59 1.21 0.43 -0.16 2.02 -1.73 -0.83 112.91 114.43 3k47 h THR 56 Ca 0.10 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3k47 h THR 56 Cb 0.57 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3k47 h THR 56 CO 0.04 0.22 -0.24 -0.25 0.37 0.00 0.00 175.52 175.66 3k47 h TRP 57 N 0.95 -0.62 0.00 3.16 2.91 -1.13 -2.25 115.95 118.97 3k47 h TRP 57 Ca 0.25 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.26 3k47 h TRP 57 Cb -0.01 0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.86 3k47 h TRP 57 CO -0.01 -0.37 0.00 1.19 -1.03 0.00 0.00 178.44 178.22 3k47 n PHE 58 N -5.37 0.60 0.58 2.65 3.01 -0.69 -2.28 117.46 115.97 3k47 n PHE 58 Ca -0.11 0.24 0.13 0.00 1.01 0.00 0.00 57.45 58.72 3k47 n PHE 58 Cb 0.27 -0.89 0.41 0.00 -0.01 0.00 0.00 39.48 39.26 3k47 n PHE 58 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3k47 h SER 59 N 0.00 0.00 -3.28 4.37 0.02 -0.56 -3.45 113.55 110.65 3k47 h SER 59 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3k47 h SER 59 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3k47 h SER 59 CO 0.00 0.00 0.49 -0.63 -1.14 0.00 0.00 176.83 175.55 3k47 s ILE 60 N -3.14 4.35 0.29 3.27 1.01 -0.97 -4.99 121.20 121.02 3k47 s ILE 60 Ca 0.10 1.69 -0.28 0.00 0.00 0.00 0.00 60.65 62.15 3k47 s ILE 60 Cb 0.12 -4.08 -0.14 0.00 0.01 0.00 0.00 42.46 38.36 3k47 s ILE 60 CO 0.57 0.13 1.07 -2.65 0.00 0.00 0.00 174.94 174.07 3k47 n PRO 61 N 3.89 1.46 0.16 2.79 -0.02 -1.26 -4.80 135.00 137.21 3k47 n PRO 61 Ca 0.08 0.51 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 3k47 n PRO 61 Cb 0.48 -1.93 0.71 0.00 -0.02 0.00 0.00 33.50 32.75 3k47 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3k47 h GLU 62 N 2.25 0.00 0.00 -0.52 4.81 -1.93 0.11 114.58 119.29 3k47 h GLU 62 Ca -0.41 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 3k47 h GLU 62 Cb 1.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 3k47 h GLU 62 CO 0.62 0.00 -0.05 1.57 -0.73 0.00 0.00 179.01 180.42 3k47 h LYS 63 N 0.00 0.00 -0.63 1.92 2.10 -2.01 -2.61 116.57 115.34 3k47 h LYS 63 Ca 0.11 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.70 3k47 h LYS 63 Cb 0.46 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.76 3k47 h LYS 63 CO -0.00 0.05 0.07 0.09 -2.00 0.00 0.00 179.45 177.66 3k47 n ASN 64 N -3.24 5.52 -4.33 7.07 3.02 0.37 -4.98 115.26 118.69 3k47 n ASN 64 Ca -0.01 -3.00 -0.31 0.00 -0.03 0.00 0.00 54.58 51.23 3k47 n ASN 64 Cb 0.25 -0.70 -0.16 0.00 -0.61 0.00 0.00 39.78 38.56 3k47 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3k47 s ARG 65 N -2.82 2.31 0.94 3.52 0.52 -0.99 -3.33 118.95 119.10 3k47 s ARG 65 Ca 0.55 -0.88 -0.13 0.00 -0.52 0.00 0.00 55.73 54.74 3k47 s ARG 65 Cb 0.42 -2.14 0.16 0.00 0.52 0.00 0.00 34.95 33.91 3k47 s ARG 65 CO 0.15 0.52 1.16 -1.25 0.02 0.00 0.00 175.30 175.91 3k47 s PRO 66 N -0.51 0.91 -0.02 3.54 0.04 -1.26 -4.95 135.00 132.75 3k47 s PRO 66 Ca 0.07 0.15 -0.33 0.00 0.04 0.00 0.00 61.00 60.93 3k47 s PRO 66 Cb -0.11 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 3k47 s PRO 66 CO 0.00 -2.33 1.87 1.28 0.04 0.00 0.00 177.00 177.87 3k47 n LEU 67 N -3.83 3.61 -4.78 -3.56 4.77 -1.21 -4.87 117.00 107.13 3k47 n LEU 67 Ca 0.08 0.97 -0.36 0.00 -0.03 0.00 0.00 56.01 56.67 3k47 n LEU 67 Cb 0.59 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 3k47 n LEU 67 CO 0.55 -0.00 0.78 -1.59 -1.33 0.00 0.00 177.39 175.80 3k47 s LYS 68 N 3.77 3.75 -1.61 3.23 0.00 -1.26 -2.97 119.74 124.64 3k47 s LYS 68 Ca 0.90 1.63 0.00 0.00 0.00 0.00 0.00 55.97 58.50 3k47 s LYS 68 Cb -0.62 -2.30 0.00 0.00 0.00 0.00 0.00 37.83 34.91 3k47 s LYS 68 CO 0.47 -0.52 0.00 -0.25 0.00 0.00 0.00 175.35 175.05 3k47 n ASP 69 N -0.66 -4.30 -4.22 0.03 8.00 -1.26 -4.94 116.55 109.19 3k47 n ASP 69 Ca 0.08 0.33 -0.21 0.00 0.71 0.00 0.00 54.79 55.70 3k47 n ASP 69 Cb 0.50 -3.85 -0.12 0.00 -0.02 0.00 0.00 41.12 37.63 3k47 n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3k47 s ARG 70 N -3.72 0.96 -0.14 -1.24 0.52 -1.16 -4.53 118.95 109.65 3k47 s ARG 70 Ca 0.00 -1.05 -0.26 0.00 -0.52 0.00 0.00 55.73 53.90 3k47 s ARG 70 Cb 0.00 -1.08 -0.02 0.00 0.52 0.00 0.00 34.95 34.37 3k47 s ARG 70 CO 0.00 0.25 0.86 0.42 0.02 0.00 0.00 175.30 176.85 3k47 s ILE 71 N -1.23 4.88 -0.28 1.52 1.01 -0.40 -4.81 121.20 121.88 3k47 s ILE 71 Ca 0.02 1.72 -0.09 0.00 0.00 0.00 0.00 60.65 62.30 3k47 s ILE 71 Cb -0.10 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 3k47 s ILE 71 CO 0.03 0.05 0.13 0.20 0.00 0.00 0.00 174.94 175.35 3k47 s ASN 72 N 1.10 5.45 -0.22 3.58 0.02 -1.26 -0.09 114.94 123.51 3k47 s ASN 72 Ca 0.41 -0.35 -0.08 0.00 -1.02 0.00 0.00 52.86 51.83 3k47 s ASN 72 Cb -0.17 -1.99 -0.04 0.00 0.02 0.00 0.00 41.25 39.08 3k47 s ASN 72 CO 0.15 -0.12 0.07 -0.63 0.02 0.00 0.00 177.10 176.60 3k47 s ILE 73 N 1.63 4.61 -0.16 0.60 1.01 0.84 -1.79 121.20 127.95 3k47 s ILE 73 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 3k47 s ILE 73 Cb -0.16 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3k47 s ILE 73 CO 0.06 0.39 0.04 -0.69 0.00 0.00 0.00 174.94 174.74 3k47 s VAL 74 N 1.01 4.64 -0.19 2.92 1.01 -0.39 -1.07 120.40 128.33 3k47 s VAL 74 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 3k47 s VAL 74 Cb -0.14 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3k47 s VAL 74 CO 0.03 0.50 0.17 -0.76 0.00 0.00 0.00 175.10 175.05 3k47 s LEU 75 N 0.03 4.22 -0.28 3.92 1.43 -0.77 -0.80 118.68 126.43 3k47 s LEU 75 Ca 0.05 0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 53.23 3k47 s LEU 75 Cb -0.12 -2.17 0.10 0.00 0.03 0.00 0.00 46.19 44.03 3k47 s LEU 75 CO 0.01 0.16 0.85 -0.55 0.23 0.00 0.00 176.35 177.05 3k47 s SER 76 N 0.40 -0.66 0.00 2.29 0.15 -0.86 -1.45 113.70 113.58 3k47 s SER 76 Ca 0.10 1.19 0.24 0.00 0.70 0.00 0.00 55.95 58.18 3k47 s SER 76 Cb -0.12 1.23 0.31 0.00 -1.71 0.00 0.00 66.02 65.73 3k47 s SER 76 CO -0.00 -0.20 1.28 0.54 1.20 0.00 0.00 173.24 176.05 3k47 n ARG 77 N 3.00 0.13 -0.02 5.44 1.74 -1.26 -3.91 116.66 121.77 3k47 n ARG 77 Ca -0.15 -0.09 -0.03 0.00 -0.77 0.00 0.00 57.85 56.81 3k47 n ARG 77 Cb 0.56 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3k47 n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3k47 n GLU 78 N -1.36 2.00 -1.91 5.56 1.02 -1.26 -4.97 120.64 119.72 3k47 n GLU 78 Ca 0.06 0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.82 3k47 n GLU 78 Cb 0.34 -1.10 0.02 0.00 -0.02 0.00 0.00 31.44 30.68 3k47 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k47 s LEU 79 N -4.71 3.98 -0.12 -4.62 1.43 -1.26 -4.96 118.68 108.42 3k47 s LEU 79 Ca -0.04 2.69 0.12 0.00 -1.03 0.00 0.00 54.13 55.87 3k47 s LEU 79 Cb 0.01 -4.15 -0.16 0.00 0.03 0.00 0.00 46.19 41.92 3k47 s LEU 79 CO 0.14 -1.27 0.07 0.29 0.23 0.00 0.00 176.35 175.81 3k47 n LYS 80 N -0.60 1.77 -4.47 1.70 4.76 -1.26 -4.95 118.16 115.12 3k47 n LYS 80 Ca 0.08 -0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 3k47 n LYS 80 Cb 0.45 -1.33 -0.12 0.00 -1.84 0.00 0.00 35.03 32.19 3k47 n LYS 80 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3k47 s GLU 81 N -2.37 1.77 0.39 1.97 2.02 -1.26 -5.07 118.70 116.14 3k47 s GLU 81 Ca -0.06 -1.16 -0.26 0.00 0.02 0.00 0.00 54.97 53.50 3k47 s GLU 81 Cb 0.04 -2.07 -0.11 0.00 0.10 0.00 0.00 34.13 32.09 3k47 s GLU 81 CO 0.53 0.49 1.24 -0.35 0.02 0.00 0.00 175.26 177.19 3k47 n PRO 82 N 1.09 1.92 -1.55 0.39 -0.04 -1.26 -4.95 135.00 130.61 3k47 n PRO 82 Ca -0.16 0.68 -0.40 0.00 -0.04 0.00 0.00 63.50 63.58 3k47 n PRO 82 Cb 0.53 -2.30 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 3k47 n PRO 82 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3k47 n PRO 83 N 0.27 0.92 -1.68 0.54 -0.02 -1.26 -4.88 135.00 128.90 3k47 n PRO 83 Ca 0.06 0.34 -0.45 0.00 -2.02 0.00 0.00 63.50 61.43 3k47 n PRO 83 Cb 0.38 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 3k47 n PRO 83 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3k47 n ARG 84 N -0.03 2.44 0.00 -0.52 3.00 -1.26 -0.88 116.66 119.41 3k47 n ARG 84 Ca 0.11 0.89 0.00 0.00 -0.00 0.00 0.00 57.85 58.85 3k47 n ARG 84 Cb 0.42 -2.75 0.00 0.00 0.00 0.00 0.00 32.46 30.14 3k47 n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k47 n GLY 85 N 4.15 3.04 3.76 5.14 0.00 -1.26 -4.87 105.19 115.15 3k47 n GLY 85 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3k47 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k47 s ALA 86 N -2.88 3.44 0.03 4.61 0.00 -0.06 -4.21 121.76 122.69 3k47 s ALA 86 Ca 0.00 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 3k47 s ALA 86 Cb 0.00 -3.38 -0.30 0.00 0.00 0.00 0.00 23.12 19.44 3k47 s ALA 86 CO 0.00 -0.33 1.06 0.45 0.00 0.00 0.00 175.76 176.95 3k47 h HIS 87 N 3.80 0.93 -3.97 0.00 -0.00 -1.66 -3.45 115.15 110.80 3k47 h HIS 87 Ca -0.47 -0.60 -0.22 0.00 -0.00 0.00 0.00 60.37 59.08 3k47 h HIS 87 Cb 1.22 -0.07 -0.21 0.00 -0.00 0.00 0.00 27.41 28.35 3k47 h HIS 87 CO 0.58 1.44 -0.72 -0.06 -0.00 0.00 0.00 177.93 179.18 3k47 s PHE 88 N -2.89 0.47 -0.17 2.45 0.08 -0.99 -5.01 117.98 111.92 3k47 s PHE 88 Ca -0.10 -0.52 -0.05 0.00 0.12 0.00 0.00 56.93 56.38 3k47 s PHE 88 Cb 0.05 -0.30 -0.03 0.00 -0.57 0.00 0.00 43.02 42.16 3k47 s PHE 88 CO 0.91 -0.14 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.72 3k47 s LEU 89 N -1.54 3.41 0.06 -0.37 0.20 -1.26 -1.26 118.68 117.92 3k47 s LEU 89 Ca -0.13 -0.08 0.06 0.00 0.69 0.00 0.00 54.13 54.68 3k47 s LEU 89 Cb -0.10 -1.84 -0.03 0.00 -0.43 0.00 0.00 46.19 43.80 3k47 s LEU 89 CO -0.00 0.16 -0.18 0.00 -0.29 0.00 0.00 176.35 176.04 3k47 s ALA 90 N 0.41 1.49 -1.59 5.97 0.00 0.02 -4.95 121.76 123.12 3k47 s ALA 90 Ca -0.02 -1.01 0.30 0.00 0.00 0.00 0.00 51.96 51.23 3k47 s ALA 90 Cb -0.14 -0.24 1.46 0.00 0.00 0.00 0.00 23.12 24.21 3k47 s ALA 90 CO 0.02 0.30 2.00 0.36 0.00 0.00 0.00 175.76 178.44 3k47 n LYS 91 N 1.64 0.60 -3.56 0.00 2.85 -1.25 -2.03 118.16 116.40 3k47 n LYS 91 Ca -0.18 -0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 56.88 3k47 n LYS 91 Cb 0.54 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.40 3k47 n LYS 91 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3k47 s SER 92 N -2.46 -0.45 0.21 -5.58 1.04 -1.26 -4.49 113.70 100.71 3k47 s SER 92 Ca 0.31 -0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.44 3k47 s SER 92 Cb 0.20 0.62 0.17 0.00 0.10 0.00 0.00 66.02 67.11 3k47 s SER 92 CO 0.45 -1.05 1.88 0.25 0.98 0.00 0.00 173.24 175.75 3k47 h LEU 93 N 2.04 0.91 -0.43 2.42 5.85 -2.00 -2.65 115.31 121.45 3k47 h LEU 93 Ca -0.30 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.44 3k47 h LEU 93 Cb 1.29 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3k47 h LEU 93 CO 0.35 0.67 0.17 0.44 -0.34 0.00 0.00 178.44 179.74 3k47 h ASP 94 N 1.07 0.21 -0.43 1.25 3.45 -1.98 0.13 116.42 120.12 3k47 h ASP 94 Ca 0.29 0.04 0.09 0.00 0.43 0.00 0.00 57.03 57.88 3k47 h ASP 94 Cb -0.11 0.01 -0.09 0.00 -0.56 0.00 0.00 39.33 38.58 3k47 h ASP 94 CO -0.06 0.16 -0.17 0.44 -1.57 0.00 0.00 179.24 178.03 3k47 h ASP 95 N 0.36 -0.60 0.00 6.45 3.45 -1.94 0.11 116.42 124.25 3k47 h ASP 95 Ca 0.20 0.15 0.02 0.00 0.43 0.00 0.00 57.03 57.83 3k47 h ASP 95 Cb 0.16 0.34 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 3k47 h ASP 95 CO -0.18 -0.21 -0.15 0.00 -1.57 0.00 0.00 179.24 177.14 3k47 h ALA 96 N 1.26 -0.18 -0.22 3.45 0.00 -0.98 -1.06 119.26 121.54 3k47 h ALA 96 Ca 0.21 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3k47 h ALA 96 Cb 0.40 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3k47 h ALA 96 CO -0.49 -0.64 -0.12 -0.07 0.00 0.00 0.00 179.25 177.93 3k47 h LEU 97 N -0.25 0.34 -0.71 0.00 3.38 -0.44 -2.49 115.31 115.14 3k47 h LEU 97 Ca 0.05 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3k47 h LEU 97 Cb 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3k47 h LEU 97 CO -0.14 0.49 -0.09 0.03 0.09 0.00 0.00 178.44 178.83 3k47 h ARG 98 N 0.33 0.91 -0.50 1.13 -0.00 -0.64 -3.19 114.38 112.43 3k47 h ARG 98 Ca 0.07 -0.31 -0.07 0.00 -0.50 0.00 0.00 59.98 59.17 3k47 h ARG 98 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.30 3k47 h ARG 98 CO 0.02 0.95 0.02 1.25 0.00 0.00 0.00 179.97 182.21 3k47 h LEU 99 N 0.82 0.79 -1.24 3.04 5.85 -0.76 -2.95 115.31 120.86 3k47 h LEU 99 Ca 0.14 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 3k47 h LEU 99 Cb 0.61 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3k47 h LEU 99 CO 0.04 0.84 -0.34 0.40 -0.34 0.00 0.00 178.44 179.04 3k47 h ILE 100 N 0.77 1.02 -0.21 4.05 2.04 -1.47 -2.48 117.51 121.23 3k47 h ILE 100 Ca 0.15 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3k47 h ILE 100 Cb 0.44 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3k47 h ILE 100 CO 0.02 0.34 0.00 -0.62 0.00 0.00 0.00 178.15 177.88 3k47 n GLU 101 N -3.80 1.81 -2.62 2.37 4.71 -1.12 -3.41 120.64 118.58 3k47 n GLU 101 Ca -0.01 -1.23 -0.36 0.00 -0.01 0.00 0.00 57.16 55.55 3k47 n GLU 101 Cb 0.42 -1.39 -0.05 0.00 -1.01 0.00 0.00 31.44 29.42 3k47 n GLU 101 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3k47 s GLN 102 N -1.73 4.25 0.36 3.49 -1.52 -0.93 -4.78 119.66 118.80 3k47 s GLN 102 Ca 0.32 1.44 0.04 0.00 -1.95 0.00 0.00 55.36 55.20 3k47 s GLN 102 Cb 0.17 -2.55 0.67 0.00 -0.22 0.00 0.00 33.01 31.09 3k47 s GLN 102 CO 0.25 -0.05 1.97 -1.00 -0.25 0.00 0.00 175.29 176.21 3k47 h PRO 103 N 2.56 0.65 0.00 2.91 0.13 -1.89 0.11 132.00 136.47 3k47 h PRO 103 Ca -0.48 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3k47 h PRO 103 Cb 1.21 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3k47 h PRO 103 CO 0.63 0.51 -0.02 1.05 -0.23 0.00 0.00 178.00 179.93 3k47 h GLU 104 N 0.65 0.00 0.00 0.86 9.09 -1.94 -3.29 114.58 119.95 3k47 h GLU 104 Ca 0.16 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.44 3k47 h GLU 104 Cb 0.07 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.15 3k47 h GLU 104 CO -0.02 0.02 -1.37 -0.11 0.05 0.00 0.00 179.01 177.58 3k47 n LEU 105 N -3.33 0.77 -4.55 3.06 7.94 -0.79 -4.70 117.00 115.40 3k47 n LEU 105 Ca -0.02 0.13 -0.33 0.00 -1.11 0.00 0.00 56.01 54.68 3k47 n LEU 105 Cb 0.14 -0.31 -0.04 0.00 0.53 0.00 0.00 43.42 43.74 3k47 n LEU 105 CO 0.24 0.09 1.64 0.00 -1.11 0.00 0.00 177.39 178.26 3k47 s ALA 106 N -2.19 1.73 0.00 1.96 0.00 0.33 0.14 121.76 123.73 3k47 s ALA 106 Ca -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3k47 s ALA 106 Cb 0.05 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.77 3k47 s ALA 106 CO 0.16 -4.48 0.00 -1.13 0.00 0.00 0.00 175.76 170.32 3k47 n SER 107 N 14.67 0.00 -0.00 0.00 3.41 -1.26 -4.78 113.62 125.66 3k47 n SER 107 Ca 0.32 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 59.01 3k47 n SER 107 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 3k47 n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k47 n LYS 108 N 0.00 1.52 -5.01 4.33 5.02 0.37 -4.82 118.16 119.56 3k47 n LYS 108 Ca 0.00 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 3k47 n LYS 108 Cb 0.00 -1.28 -0.16 0.00 -0.02 0.00 0.00 35.03 33.57 3k47 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k47 s VAL 109 N -2.58 1.64 0.00 -0.18 1.01 -1.11 -1.61 120.40 117.57 3k47 s VAL 109 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3k47 s VAL 109 Cb 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3k47 s VAL 109 CO 0.68 0.46 0.00 -0.67 0.00 0.00 0.00 175.10 175.57 3k47 n ASP 110 N 2.67 0.00 -4.77 3.32 2.03 0.18 -4.74 116.55 115.24 3k47 n ASP 110 Ca -0.16 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.77 3k47 n ASP 110 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 3k47 n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3k47 s MET 111 N 0.90 4.64 -0.23 -0.67 -1.94 -1.26 0.26 119.30 121.01 3k47 s MET 111 Ca 0.00 1.30 -0.08 0.00 -1.71 0.00 0.00 55.69 55.20 3k47 s MET 111 Cb 0.00 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 3k47 s MET 111 CO 0.00 0.44 0.09 0.08 -0.01 0.00 0.00 175.02 175.63 3k47 s VAL 112 N -1.34 4.71 -0.17 -6.03 1.01 -1.26 -0.74 120.40 116.57 3k47 s VAL 112 Ca 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 3k47 s VAL 112 Cb -0.22 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3k47 s VAL 112 CO 0.27 0.37 -0.10 0.26 0.00 0.00 0.00 175.10 175.90 3k47 s TRP 113 N 1.17 2.88 -0.33 5.22 0.52 0.70 -1.84 118.94 127.26 3k47 s TRP 113 Ca 0.05 -0.87 -0.22 0.00 0.02 0.00 0.00 56.10 55.08 3k47 s TRP 113 Cb -0.14 -1.97 0.00 0.00 -1.15 0.00 0.00 33.47 30.21 3k47 s TRP 113 CO 0.04 -0.41 0.72 0.42 0.02 0.00 0.00 176.95 177.73 3k47 s ILE 114 N 0.93 4.83 -0.46 2.03 -1.09 0.29 -0.74 121.20 126.99 3k47 s ILE 114 Ca -0.02 0.91 0.15 0.00 -2.23 0.00 0.00 60.65 59.46 3k47 s ILE 114 Cb -0.15 -4.11 0.48 0.00 -1.58 0.00 0.00 42.46 37.10 3k47 s ILE 114 CO -0.00 -0.28 1.39 1.33 -1.23 0.00 0.00 174.94 176.15 3k47 n VAL 115 N 5.57 1.87 0.00 2.92 0.24 -0.68 -2.10 118.33 126.15 3k47 n VAL 115 Ca 0.01 -1.55 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 3k47 n VAL 115 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3k47 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k47 n GLY 116 N -0.07 3.20 1.92 7.63 0.00 -1.26 -4.97 105.19 111.65 3k47 n GLY 116 Ca 0.19 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 3k47 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k47 n GLY 117 N -0.51 2.37 0.29 -0.02 0.00 -1.26 0.19 105.19 106.25 3k47 n GLY 117 Ca 0.00 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.66 3k47 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k47 h SER 118 N 1.10 0.15 -0.71 1.61 0.02 -1.98 -1.41 113.55 112.34 3k47 h SER 118 Ca -0.16 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k47 h SER 118 Cb 0.67 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 3k47 h SER 118 CO 0.21 -0.02 0.45 0.77 -1.14 0.00 0.00 176.83 177.11 3k47 h SER 119 N 0.33 0.83 0.12 3.07 4.64 -1.94 -1.26 113.55 119.34 3k47 h SER 119 Ca 0.48 -0.04 -0.27 0.00 -0.47 0.00 0.00 61.79 61.50 3k47 h SER 119 Cb 0.86 -0.21 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3k47 h SER 119 CO -0.52 0.62 -1.07 0.58 -0.87 0.00 0.00 176.83 175.57 3k47 h VAL 120 N 0.97 1.31 -0.42 0.95 2.07 -1.59 -2.94 116.25 116.60 3k47 h VAL 120 Ca 0.26 -2.36 0.03 0.00 0.82 0.00 0.00 66.70 65.45 3k47 h VAL 120 Cb -0.08 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 3k47 h VAL 120 CO -0.05 0.72 0.22 1.88 0.02 0.00 0.00 177.57 180.36 3k47 h TYR 121 N 0.33 0.41 -0.42 1.57 0.99 -1.20 -1.96 116.97 116.70 3k47 h TYR 121 Ca -0.13 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.69 3k47 h TYR 121 Cb 1.73 -0.13 -0.07 0.00 1.00 0.00 0.00 36.73 39.26 3k47 h TYR 121 CO 0.09 0.23 -0.01 1.96 -0.00 0.00 0.00 178.16 180.43 3k47 h GLN 122 N 0.45 0.09 0.12 4.88 4.20 -1.22 -1.52 115.11 122.12 3k47 h GLN 122 Ca 0.17 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3k47 h GLN 122 Cb 0.06 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3k47 h GLN 122 CO -0.11 0.06 -0.06 0.93 -0.67 0.00 0.00 178.83 178.99 3k47 h GLU 123 N 0.09 -0.16 -0.90 1.46 4.39 -1.39 -2.09 114.58 115.98 3k47 h GLU 123 Ca 0.21 0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.16 3k47 h GLU 123 Cb 0.30 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 28.85 3k47 h GLU 123 CO -0.35 0.19 0.34 0.00 -1.16 0.00 0.00 179.01 178.02 3k47 h ALA 124 N 0.29 1.42 0.00 3.43 0.00 -1.32 -0.82 119.26 122.26 3k47 h ALA 124 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3k47 h ALA 124 Cb 0.42 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3k47 h ALA 124 CO 0.03 -0.44 0.00 -1.33 0.00 0.00 0.00 179.25 177.51 3k47 n MET 125 N -5.14 0.22 -0.30 0.00 2.81 -0.58 -1.91 117.12 112.23 3k47 n MET 125 Ca 0.23 0.36 0.06 0.00 -1.81 0.00 0.00 57.70 56.54 3k47 n MET 125 Cb 0.71 -1.86 0.20 0.00 -0.71 0.00 0.00 33.22 31.56 3k47 n MET 125 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3k47 n ASN 126 N -2.26 2.68 -4.73 7.83 3.02 -0.32 -4.93 115.26 116.54 3k47 n ASN 126 Ca 0.03 -2.16 -0.41 0.00 -0.03 0.00 0.00 54.58 52.01 3k47 n ASN 126 Cb 0.29 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 3k47 n ASN 126 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3k47 s GLN 127 N -1.61 4.64 0.95 3.52 -1.52 -0.80 -5.05 119.66 119.79 3k47 s GLN 127 Ca 0.29 1.34 -0.14 0.00 -1.95 0.00 0.00 55.36 54.90 3k47 s GLN 127 Cb 0.17 -3.37 0.16 0.00 -0.22 0.00 0.00 33.01 29.75 3k47 s GLN 127 CO 0.16 0.23 1.18 -1.25 -0.25 0.00 0.00 175.29 175.36 3k47 s PRO 128 N -0.02 0.83 0.00 2.91 0.04 -1.26 -4.90 135.00 132.61 3k47 s PRO 128 Ca 0.45 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.54 3k47 s PRO 128 Cb -0.23 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3k47 s PRO 128 CO 0.28 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.37 3k47 n GLY 129 N -2.56 -0.79 3.60 0.56 0.00 -1.25 -4.90 105.19 99.86 3k47 n GLY 129 Ca 0.10 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 3k47 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3k47 s HIS 130 N -2.02 1.20 -0.00 1.61 5.65 -1.26 -4.53 115.29 115.93 3k47 s HIS 130 Ca 0.00 0.50 0.06 0.00 0.25 0.00 0.00 55.06 55.87 3k47 s HIS 130 Cb 0.00 -3.95 -0.03 0.00 -1.18 0.00 0.00 32.58 27.42 3k47 s HIS 130 CO 0.00 -4.10 -0.17 -0.51 -0.65 0.00 0.00 174.74 169.31 3k47 s LEU 131 N 8.07 2.60 0.07 8.88 2.01 0.16 -1.47 118.68 139.00 3k47 s LEU 131 Ca 0.99 -0.33 0.08 0.00 0.01 0.00 0.00 54.13 54.88 3k47 s LEU 131 Cb -0.33 -1.52 -0.03 0.00 0.01 0.00 0.00 46.19 44.32 3k47 s LEU 131 CO 0.35 0.30 -0.22 -0.13 1.01 0.00 0.00 176.35 177.66 3k47 s ARG 132 N -1.05 1.36 -0.16 1.70 0.52 0.07 -0.21 118.95 121.18 3k47 s ARG 132 Ca 0.13 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 3k47 s ARG 132 Cb -0.10 -1.58 0.03 0.00 0.52 0.00 0.00 34.95 33.82 3k47 s ARG 132 CO 0.03 0.39 -0.12 -0.51 0.02 0.00 0.00 175.30 175.11 3k47 s LEU 133 N -1.52 1.75 -0.56 2.53 1.43 -0.52 -0.77 118.68 121.03 3k47 s LEU 133 Ca 0.08 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 3k47 s LEU 133 Cb -0.09 -1.13 0.14 0.00 0.03 0.00 0.00 46.19 45.14 3k47 s LEU 133 CO 0.03 -0.10 0.50 -0.36 0.23 0.00 0.00 176.35 176.65 3k47 s PHE 134 N 1.51 3.33 -0.33 0.29 0.40 0.10 -0.08 117.98 123.20 3k47 s PHE 134 Ca 0.03 -1.47 -0.07 0.00 -0.60 0.00 0.00 56.93 54.82 3k47 s PHE 134 Cb -0.14 -3.75 0.03 0.00 0.51 0.00 0.00 43.02 39.67 3k47 s PHE 134 CO -0.10 -1.01 0.11 0.08 0.70 0.00 0.00 175.22 175.01 3k47 s VAL 135 N 1.40 3.96 -0.32 -0.44 1.01 0.25 -1.87 120.40 124.40 3k47 s VAL 135 Ca 0.05 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 3k47 s VAL 135 Cb -0.27 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3k47 s VAL 135 CO 0.01 -0.10 1.17 -0.89 0.00 0.00 0.00 175.10 175.29 3k47 s THR 136 N 1.46 4.34 -0.67 3.92 2.01 -0.26 -1.15 115.64 125.29 3k47 s THR 136 Ca 0.00 1.52 -0.24 0.00 0.31 0.00 0.00 61.69 63.28 3k47 s THR 136 Cb -0.19 -4.31 0.05 0.00 0.01 0.00 0.00 72.50 68.07 3k47 s THR 136 CO 0.03 -0.50 1.06 -0.13 -0.69 0.00 0.00 174.62 174.40 3k47 s ARG 137 N 3.90 3.17 -0.57 4.92 1.81 0.49 -0.39 118.95 132.27 3k47 s ARG 137 Ca 0.50 -0.57 -0.28 0.00 -1.72 0.00 0.00 55.73 53.66 3k47 s ARG 137 Cb -0.14 -4.19 0.01 0.00 -0.45 0.00 0.00 34.95 30.18 3k47 s ARG 137 CO 0.19 -1.88 1.49 0.42 -0.68 0.00 0.00 175.30 174.85 3k47 s ILE 138 N 4.57 3.70 -0.88 1.52 -1.09 -0.09 -1.84 121.20 127.08 3k47 s ILE 138 Ca 0.27 0.56 -0.22 0.00 -2.23 0.00 0.00 60.65 59.04 3k47 s ILE 138 Cb -0.14 -4.37 -0.13 0.00 -1.58 0.00 0.00 42.46 36.24 3k47 s ILE 138 CO 0.13 -1.16 1.94 0.23 -1.23 0.00 0.00 174.94 174.85 3k47 n MET 139 N 8.80 1.61 0.00 2.79 2.81 0.41 -2.20 117.12 131.34 3k47 n MET 139 Ca 0.13 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.01 3k47 n MET 139 Cb 0.49 -3.08 0.00 0.00 -0.71 0.00 0.00 33.22 29.92 3k47 n MET 139 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3k47 n GLN 140 N 7.21 0.00 -2.76 0.03 7.27 -1.26 -4.67 117.38 123.20 3k47 n GLN 140 Ca 0.49 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.15 3k47 n GLN 140 Cb 0.42 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.02 3k47 n GLN 140 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3k47 s GLU 141 N -1.26 4.71 0.01 3.69 2.02 -1.26 -1.63 118.70 124.98 3k47 s GLU 141 Ca 0.00 1.42 0.03 0.00 0.02 0.00 0.00 54.97 56.44 3k47 s GLU 141 Cb 0.00 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 3k47 s GLU 141 CO 0.00 0.29 -0.10 -0.06 0.02 0.00 0.00 175.26 175.41 3k47 s PHE 142 N -0.29 0.89 -0.05 1.61 0.08 -1.26 -4.96 117.98 114.00 3k47 s PHE 142 Ca 0.45 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.97 3k47 s PHE 142 Cb -0.24 -0.56 -0.07 0.00 -0.57 0.00 0.00 43.02 41.59 3k47 s PHE 142 CO 0.30 -0.01 1.93 -2.00 -0.10 0.00 0.00 175.22 175.33 3k47 s GLU 143 N -0.56 3.94 0.01 0.44 2.12 -1.26 -4.79 118.70 118.60 3k47 s GLU 143 Ca 0.02 2.36 0.07 0.00 0.36 0.00 0.00 54.97 57.77 3k47 s GLU 143 Cb -0.05 -4.16 -0.02 0.00 0.26 0.00 0.00 34.13 30.16 3k47 s GLU 143 CO 0.00 -1.16 -0.21 -1.12 -0.54 0.00 0.00 175.26 172.22 3k47 s SER 144 N 4.89 2.53 0.00 -1.70 0.01 -1.26 -4.79 113.70 113.37 3k47 s SER 144 Ca 0.86 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.67 3k47 s SER 144 Cb -0.38 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.60 3k47 s SER 144 CO 0.37 0.22 0.70 0.47 0.41 0.00 0.00 173.24 175.41 3k47 n ASP 145 N 2.23 0.00 -4.97 2.44 9.92 -0.57 -4.93 116.55 120.67 3k47 n ASP 145 Ca -0.16 0.70 -0.21 0.00 -0.53 0.00 0.00 54.79 54.58 3k47 n ASP 145 Cb 0.53 -0.20 -0.00 0.00 -0.64 0.00 0.00 41.12 40.81 3k47 n ASP 145 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3k47 s THR 146 N -1.79 4.30 0.06 -3.53 -1.32 -1.12 -5.05 115.64 107.18 3k47 s THR 146 Ca 0.00 -0.72 -0.00 0.00 -1.21 0.00 0.00 61.69 59.75 3k47 s THR 146 Cb 0.00 -3.54 -0.04 0.00 -1.51 0.00 0.00 72.50 67.41 3k47 s THR 146 CO 0.00 -0.30 -0.04 -0.36 -2.21 0.00 0.00 174.62 171.71 3k47 s PHE 147 N -2.33 0.57 0.08 9.09 0.40 -1.26 -2.44 117.98 122.09 3k47 s PHE 147 Ca 0.45 -0.93 -0.21 0.00 -0.60 0.00 0.00 56.93 55.64 3k47 s PHE 147 Cb -0.10 -0.39 -0.07 0.00 0.51 0.00 0.00 43.02 42.98 3k47 s PHE 147 CO 0.34 -0.29 0.61 0.12 0.70 0.00 0.00 175.22 176.70 3k47 s PHE 148 N -3.38 3.81 0.60 0.36 5.36 0.63 -4.87 117.98 120.49 3k47 s PHE 148 Ca 0.04 1.33 -0.18 0.00 -0.96 0.00 0.00 56.93 57.16 3k47 s PHE 148 Cb 0.04 -2.56 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 3k47 s PHE 148 CO -0.07 0.54 1.00 -2.30 -1.46 0.00 0.00 175.22 172.93 3k47 n PRO 149 N 1.83 0.93 -1.68 10.12 -0.02 -1.26 -4.89 135.00 140.03 3k47 n PRO 149 Ca -0.09 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 3k47 n PRO 149 Cb 0.50 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3k47 n PRO 149 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3k47 n GLU 150 N -1.09 2.04 -3.45 -0.52 2.13 -1.26 -4.95 120.64 113.55 3k47 n GLU 150 Ca 0.14 0.72 -0.43 0.00 0.66 0.00 0.00 57.16 58.24 3k47 n GLU 150 Cb 0.47 -2.28 -0.09 0.00 0.27 0.00 0.00 31.44 29.81 3k47 n GLU 150 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3k47 s ILE 151 N -0.97 5.08 -0.48 6.31 1.01 -1.26 -5.01 121.20 125.88 3k47 s ILE 151 Ca 0.57 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 3k47 s ILE 151 Cb -0.59 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 37.91 3k47 s ILE 151 CO 0.61 -0.47 1.52 -0.62 0.00 0.00 0.00 174.94 175.97 3k47 s ASP 152 N 2.21 6.07 0.00 3.58 3.68 -1.26 -4.88 116.67 126.07 3k47 s ASP 152 Ca 0.04 0.62 0.16 0.00 2.13 0.00 0.00 52.55 55.50 3k47 s ASP 152 Cb -0.22 -2.54 0.69 0.00 -1.45 0.00 0.00 42.92 39.40 3k47 s ASP 152 CO 0.07 -1.69 1.50 0.18 0.13 0.00 0.00 175.17 175.36 3k47 n LEU 153 N 9.76 0.00 0.07 -1.34 4.77 -1.26 -0.18 117.00 128.82 3k47 n LEU 153 Ca 0.16 0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 56.54 3k47 n LEU 153 Cb 0.49 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3k47 n LEU 153 CO 0.70 -0.22 0.17 1.23 -1.33 0.00 0.00 177.39 177.94 3k47 h GLY 154 N 2.69 0.00 0.19 -0.72 0.00 -2.03 -3.38 103.07 99.83 3k47 h GLY 154 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 3k47 h GLY 154 CO 0.00 0.01 -1.35 1.70 0.00 0.00 0.00 176.54 176.90 3k47 h LYS 155 N 0.00 0.08 -5.02 4.80 3.64 -1.72 -3.46 116.57 114.89 3k47 h LYS 155 Ca -0.01 -0.14 -0.63 0.00 -1.27 0.00 0.00 60.65 58.59 3k47 h LYS 155 Cb 1.72 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 33.44 3k47 h LYS 155 CO 0.13 1.07 -0.42 0.71 -2.27 0.00 0.00 179.45 178.67 3k47 s TYR 156 N -2.41 3.25 -0.10 1.91 1.51 0.75 -4.42 117.35 117.85 3k47 s TYR 156 Ca -0.26 0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.75 3k47 s TYR 156 Cb 0.05 -2.43 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 3k47 s TYR 156 CO 0.66 -0.15 1.07 0.21 -1.11 0.00 0.00 175.55 176.23 3k47 s LYS 157 N 1.76 4.39 -0.25 -0.62 2.20 -0.70 -4.52 119.74 122.00 3k47 s LYS 157 Ca 0.10 1.48 -0.29 0.00 -0.36 0.00 0.00 55.97 56.90 3k47 s LYS 157 Cb -0.16 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 3k47 s LYS 157 CO 0.10 -0.38 1.41 -1.17 -0.36 0.00 0.00 175.35 174.95 3k47 s LEU 158 N 2.16 3.93 0.19 5.43 1.98 -1.26 0.44 118.68 131.55 3k47 s LEU 158 Ca 0.51 1.43 -0.30 0.00 -2.89 0.00 0.00 54.13 52.88 3k47 s LEU 158 Cb -0.20 -3.54 -0.08 0.00 0.66 0.00 0.00 46.19 43.03 3k47 s LEU 158 CO 0.18 -1.10 1.26 -0.76 -1.89 0.00 0.00 176.35 174.05 3k47 s LEU 159 N 4.54 4.43 0.25 -0.68 1.43 0.17 -4.91 118.68 123.91 3k47 s LEU 159 Ca 0.62 2.33 0.01 0.00 -1.03 0.00 0.00 54.13 56.05 3k47 s LEU 159 Cb -0.21 -3.61 0.32 0.00 0.03 0.00 0.00 46.19 42.73 3k47 s LEU 159 CO 0.24 -0.47 1.66 1.55 0.23 0.00 0.00 176.35 179.57 3k47 h PRO 160 N 5.38 0.52 -4.30 1.29 0.13 -1.95 -3.43 132.00 129.64 3k47 h PRO 160 Ca -0.44 -0.22 -0.14 0.00 -0.87 0.00 0.00 66.00 64.32 3k47 h PRO 160 Cb 1.21 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3k47 h PRO 160 CO 0.76 0.77 -0.66 -1.83 -0.23 0.00 0.00 178.00 176.82 3k47 s GLU 161 N -4.38 0.74 -0.06 0.86 -1.05 -1.26 -5.06 118.70 108.49 3k47 s GLU 161 Ca -0.07 -1.30 -0.04 0.00 -0.15 0.00 0.00 54.97 53.41 3k47 s GLU 161 Cb 0.13 0.23 0.02 0.00 -0.44 0.00 0.00 34.13 34.07 3k47 s GLU 161 CO 0.80 -0.17 0.15 -0.47 0.95 0.00 0.00 175.26 176.52 3k47 s TYR 162 N -3.97 -0.17 0.12 4.83 5.04 -1.26 -5.06 117.35 116.89 3k47 s TYR 162 Ca 0.14 0.44 -0.35 0.00 -2.44 0.00 0.00 57.07 54.85 3k47 s TYR 162 Cb 0.08 0.01 -0.16 0.00 0.35 0.00 0.00 41.96 42.24 3k47 s TYR 162 CO -0.05 -0.11 1.22 -0.35 -1.34 0.00 0.00 175.55 174.92 3k47 n PRO 163 N 3.41 1.06 -0.95 4.97 -0.04 -1.26 -1.56 135.00 140.63 3k47 n PRO 163 Ca -0.17 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3k47 n PRO 163 Cb 0.57 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3k47 n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k47 n GLY 164 N 2.21 0.25 3.43 0.55 0.00 -1.26 -5.00 105.19 105.37 3k47 n GLY 164 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3k47 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k47 s VAL 165 N -1.58 3.69 -0.07 1.61 1.01 -0.60 -5.09 120.40 119.36 3k47 s VAL 165 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 3k47 s VAL 165 Cb 0.00 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3k47 s VAL 165 CO 0.00 0.47 0.26 -0.76 0.00 0.00 0.00 175.10 175.06 3k47 s LEU 166 N 0.74 4.43 0.00 3.92 1.02 -1.26 -4.54 118.68 122.98 3k47 s LEU 166 Ca -0.02 0.68 0.17 0.00 0.02 0.00 0.00 54.13 54.99 3k47 s LEU 166 Cb -0.15 -2.30 -0.13 0.00 0.02 0.00 0.00 46.19 43.64 3k47 s LEU 166 CO 0.02 0.37 0.77 -1.54 0.02 0.00 0.00 176.35 175.99 3k47 n SER 167 N 1.93 1.08 -4.77 2.29 3.41 -1.26 -4.46 113.62 111.85 3k47 n SER 167 Ca -0.17 -1.04 -0.35 0.00 -0.26 0.00 0.00 58.87 57.04 3k47 n SER 167 Cb 0.54 0.84 0.01 0.00 -0.26 0.00 0.00 64.21 65.34 3k47 n SER 167 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k47 s GLU 168 N -2.42 3.20 0.23 4.33 8.01 -1.26 -4.78 118.70 126.01 3k47 s GLU 168 Ca 0.09 1.69 -0.31 0.00 0.01 0.00 0.00 54.97 56.44 3k47 s GLU 168 Cb 0.13 -1.98 -0.13 0.00 -4.31 0.00 0.00 34.13 27.85 3k47 s GLU 168 CO 0.61 -0.99 1.49 0.28 0.01 0.00 0.00 175.26 176.66 3k47 n VAL 169 N -1.43 0.75 -4.29 2.63 0.31 -1.26 -4.73 118.33 110.31 3k47 n VAL 169 Ca 0.12 -0.19 -0.24 0.00 -0.01 0.00 0.00 64.34 64.03 3k47 n VAL 169 Cb 0.50 -1.61 -0.08 0.00 -0.91 0.00 0.00 33.84 31.75 3k47 n VAL 169 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3k47 s GLN 170 N -0.13 2.16 -0.16 5.55 -1.52 0.37 -4.98 119.66 120.94 3k47 s GLN 170 Ca 0.69 -1.66 -0.20 0.00 -1.95 0.00 0.00 55.36 52.25 3k47 s GLN 170 Cb -0.62 -2.01 0.05 0.00 -0.22 0.00 0.00 33.01 30.21 3k47 s GLN 170 CO 0.47 0.17 0.53 -2.00 -0.25 0.00 0.00 175.29 174.21 3k47 s GLU 171 N -3.73 0.68 -0.17 2.91 2.12 -1.26 -1.59 118.70 117.66 3k47 s GLU 171 Ca 0.35 0.57 -0.05 0.00 0.36 0.00 0.00 54.97 56.19 3k47 s GLU 171 Cb -0.02 0.33 0.08 0.00 0.26 0.00 0.00 34.13 34.78 3k47 s GLU 171 CO 0.20 -0.12 0.34 -2.00 -0.54 0.00 0.00 175.26 173.14 3k47 s GLU 172 N -0.09 0.24 -1.32 4.30 2.12 -0.37 -4.92 118.70 118.67 3k47 s GLU 172 Ca -0.03 0.83 -0.08 0.00 0.36 0.00 0.00 54.97 56.06 3k47 s GLU 172 Cb -0.03 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.40 3k47 s GLU 172 CO 0.02 -0.32 1.14 1.63 -0.54 0.00 0.00 175.26 177.20 3k47 n LYS 173 N 5.37 -7.68 -0.90 4.30 5.02 -1.26 -2.68 118.16 120.32 3k47 n LYS 173 Ca -0.07 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 3k47 n LYS 173 Cb 0.50 -5.83 0.00 0.00 -0.02 0.00 0.00 35.03 29.67 3k47 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k47 n GLY 174 N -1.87 0.71 3.32 0.72 0.00 -1.26 -4.98 105.19 101.83 3k47 n GLY 174 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3k47 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k47 s ILE 175 N -3.08 3.87 0.26 -0.61 1.01 -1.09 -5.09 121.20 116.46 3k47 s ILE 175 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 3k47 s ILE 175 Cb 0.00 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 3k47 s ILE 175 CO 0.00 0.05 0.87 -0.54 0.00 0.00 0.00 174.94 175.31 3k47 s LYS 176 N 1.47 4.58 0.19 2.79 1.02 -1.26 -1.23 119.74 127.30 3k47 s LYS 176 Ca 0.02 1.24 -0.22 0.00 0.02 0.00 0.00 55.97 57.02 3k47 s LYS 176 Cb -0.17 -3.01 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 3k47 s LYS 176 CO 0.02 0.41 0.63 1.52 -0.92 0.00 0.00 175.35 177.01 3k47 s TYR 177 N -1.41 -0.45 0.10 3.18 -0.85 -0.62 -0.44 117.35 116.86 3k47 s TYR 177 Ca 0.44 0.17 -0.09 0.00 -0.52 0.00 0.00 57.07 57.06 3k47 s TYR 177 Cb -0.21 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.73 3k47 s TYR 177 CO 0.25 -0.95 0.22 -1.59 -1.52 0.00 0.00 175.55 171.96 3k47 s LYS 178 N -3.79 0.91 -0.20 -3.49 -2.85 -0.77 -0.48 119.74 109.07 3k47 s LYS 178 Ca 0.04 -0.96 -0.09 0.00 -1.00 0.00 0.00 55.97 53.95 3k47 s LYS 178 Cb -0.02 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 3k47 s LYS 178 CO -0.08 -0.30 0.11 -0.06 0.10 0.00 0.00 175.35 175.12 3k47 s PHE 179 N -3.87 3.34 0.12 1.78 2.99 -1.26 -0.38 117.98 120.70 3k47 s PHE 179 Ca 0.06 0.22 0.09 0.00 0.00 0.00 0.00 56.93 57.30 3k47 s PHE 179 Cb 0.04 -2.14 -0.04 0.00 0.00 0.00 0.00 43.02 40.88 3k47 s PHE 179 CO -0.10 0.21 -0.21 -1.21 -0.00 0.00 0.00 175.22 173.91 3k47 s GLU 180 N 0.46 1.19 -0.11 0.44 2.02 -0.30 -4.82 118.70 117.58 3k47 s GLU 180 Ca 0.06 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.83 3k47 s GLU 180 Cb -0.12 -1.45 0.02 0.00 0.10 0.00 0.00 34.13 32.68 3k47 s GLU 180 CO -0.00 0.33 -0.11 0.08 0.02 0.00 0.00 175.26 175.58 3k47 s VAL 181 N -1.30 1.23 0.18 2.63 1.01 -1.26 -0.58 120.40 122.32 3k47 s VAL 181 Ca 0.09 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3k47 s VAL 181 Cb -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3k47 s VAL 181 CO 0.05 0.40 0.07 -0.31 0.00 0.00 0.00 175.10 175.31 3k47 s TYR 182 N 1.39 2.99 -0.03 5.22 1.51 0.89 0.45 117.35 129.77 3k47 s TYR 182 Ca 0.00 -0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 3k47 s TYR 182 Cb -0.13 -1.43 0.03 0.00 -0.11 0.00 0.00 41.96 40.31 3k47 s TYR 182 CO -0.06 0.52 0.07 -2.00 -1.11 0.00 0.00 175.55 172.97 3k47 s GLU 183 N -3.10 0.01 -0.22 -0.62 2.12 0.17 -1.43 118.70 115.63 3k47 s GLU 183 Ca 0.30 0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.87 3k47 s GLU 183 Cb -0.09 -0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.12 3k47 s GLU 183 CO 0.21 -0.16 -0.14 0.21 -0.54 0.00 0.00 175.26 174.84 3k47 s LYS 184 N 1.05 2.72 0.74 4.30 2.20 0.70 -1.71 119.74 129.74 3k47 s LYS 184 Ca -0.09 -1.02 -0.04 0.00 -0.36 0.00 0.00 55.97 54.46 3k47 s LYS 184 Cb -0.12 -2.75 0.12 0.00 -1.51 0.00 0.00 37.83 33.57 3k47 s LYS 184 CO -0.04 -0.36 1.03 0.15 -0.36 0.00 0.00 175.35 175.77 3k47 s LYS 185 N 1.24 1.65 0.00 4.03 -0.14 -1.26 0.35 119.74 125.60 3k47 s LYS 185 Ca -0.00 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 3k47 s LYS 185 Cb -0.16 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 3k47 s LYS 185 CO -0.09 -1.51 0.00 -0.40 -0.76 0.00 0.00 175.35 172.59