#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k72 s GLU 2 N 0.00 0.40 -0.30 3.69 -1.05 -1.26 -5.09 118.70 115.09 3k72 s GLU 2 Ca 0.00 0.68 -0.09 0.00 -0.15 0.00 0.00 54.97 55.41 3k72 s GLU 2 Cb 0.00 0.09 0.18 0.00 -0.44 0.00 0.00 34.13 33.96 3k72 s GLU 2 CO 0.00 -0.08 0.96 0.00 0.95 0.00 0.00 175.26 177.09 3k72 s THR 4 N 2.93 5.33 -0.28 0.00 2.01 -1.26 -4.91 115.64 119.45 3k72 s THR 4 Ca 0.15 0.46 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 3k72 s THR 4 Cb -0.06 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3k72 s THR 4 CO -0.19 0.45 1.21 -0.54 -0.69 0.00 0.00 174.62 174.86 3k72 s LYS 5 N 0.08 4.03 0.81 4.92 1.02 -1.26 -4.78 119.74 124.56 3k72 s LYS 5 Ca 0.15 1.26 -0.08 0.00 0.02 0.00 0.00 55.97 57.32 3k72 s LYS 5 Cb -0.13 -3.81 0.18 0.00 -0.52 0.00 0.00 37.83 33.55 3k72 s LYS 5 CO 0.04 -0.97 1.10 0.34 -0.92 0.00 0.00 175.35 174.95 3k72 n PHE 6 N 7.17 -3.52 -1.46 3.18 7.35 -1.26 -4.92 117.46 124.00 3k72 n PHE 6 Ca 0.14 -1.36 -0.49 0.00 -0.76 0.00 0.00 57.45 54.98 3k72 n PHE 6 Cb 0.46 -0.83 -0.07 0.00 0.35 0.00 0.00 39.48 39.39 3k72 n PHE 6 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3k72 n LYS 7 N -3.22 1.15 -3.49 -4.13 4.81 -1.26 -4.89 118.16 107.13 3k72 n LYS 7 Ca 0.16 0.30 -0.42 0.00 -0.87 0.00 0.00 58.31 57.47 3k72 n LYS 7 Cb 0.55 -2.55 -0.08 0.00 0.02 0.00 0.00 35.03 32.96 3k72 n LYS 7 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3k72 s VAL 8 N 7.58 4.71 -0.11 3.15 1.01 -1.26 -4.74 120.40 130.73 3k72 s VAL 8 Ca 1.09 -1.30 0.09 0.00 0.00 0.00 0.00 61.98 61.86 3k72 s VAL 8 Cb -0.79 -3.88 -0.13 0.00 0.00 0.00 0.00 36.38 31.58 3k72 s VAL 8 CO 0.47 -0.59 0.02 -0.24 0.00 0.00 0.00 175.10 174.77 3k72 n SER 9 N 5.06 2.32 -2.12 3.32 2.88 -1.26 -4.68 113.62 119.14 3k72 n SER 9 Ca -0.11 -0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.33 3k72 n SER 9 Cb 0.43 0.68 -0.04 0.00 -0.75 0.00 0.00 64.21 64.53 3k72 n SER 9 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3k72 n SER 10 N -2.46 -0.14 0.20 -3.46 3.41 -1.26 -4.99 113.62 104.92 3k72 n SER 10 Ca -0.19 -2.03 0.05 0.00 -0.26 0.00 0.00 58.87 56.44 3k72 n SER 10 Cb 0.85 0.75 0.42 0.00 -0.26 0.00 0.00 64.21 65.97 3k72 n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k72 h ARG 12 N 0.00 0.63 0.00 0.00 2.43 -1.95 -2.75 114.38 112.73 3k72 h ARG 12 Ca -0.00 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3k72 h ARG 12 Cb 0.65 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3k72 h ARG 12 CO 0.04 1.17 0.00 0.39 -1.51 0.00 0.00 179.97 180.06 3k72 n GLU 13 N -3.87 0.10 0.02 0.20 1.02 -1.17 -1.53 120.64 115.40 3k72 n GLU 13 Ca -0.07 0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 57.29 3k72 n GLU 13 Cb 0.77 -1.68 -0.13 0.00 -0.02 0.00 0.00 31.44 30.38 3k72 n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k72 h ILE 15 N 0.01 1.31 0.00 0.00 1.08 -1.03 -3.02 117.51 115.86 3k72 h ILE 15 Ca -0.17 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.60 3k72 h ILE 15 Cb 1.91 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 3k72 h ILE 15 CO 0.11 0.54 0.00 -0.62 -0.69 0.00 0.00 178.15 177.49 3k72 n GLU 16 N -3.99 0.99 -0.08 2.37 1.02 -0.58 -3.32 120.64 117.04 3k72 n GLU 16 Ca -0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 3k72 n GLU 16 Cb 0.58 -1.37 -0.14 0.00 -0.02 0.00 0.00 31.44 30.50 3k72 n GLU 16 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3k72 n SER 17 N -0.12 1.43 0.00 1.62 7.64 -1.14 -4.95 113.62 118.10 3k72 n SER 17 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3k72 n SER 17 Cb 0.18 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 3k72 n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k72 n GLY 18 N 2.01 1.57 0.17 0.23 0.00 -1.21 -4.72 105.19 103.24 3k72 n GLY 18 Ca -0.37 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 3k72 n GLY 18 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k72 h PRO 19 N 0.00 0.33 -0.97 1.61 0.11 -1.86 -2.60 132.00 128.62 3k72 h PRO 19 Ca 0.00 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 3k72 h PRO 19 Cb 0.00 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 3k72 h PRO 19 CO 0.00 0.22 0.09 0.41 -0.21 0.00 0.00 178.00 178.50 3k72 n GLY 20 N -1.23 2.27 3.56 -0.55 0.00 -1.20 -4.81 105.19 103.23 3k72 n GLY 20 Ca 0.02 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3k72 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 s THR 22 N 1.12 2.40 0.03 0.00 -4.23 -0.40 -4.79 115.64 109.76 3k72 s THR 22 Ca 0.05 -2.18 0.04 0.00 -1.18 0.00 0.00 61.69 58.42 3k72 s THR 22 Cb -0.14 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 3k72 s THR 22 CO 0.04 -0.24 -0.11 0.86 -0.54 0.00 0.00 174.62 174.63 3k72 s TRP 23 N -2.56 0.96 -0.12 3.99 -0.11 -1.21 -2.82 118.94 117.06 3k72 s TRP 23 Ca 0.33 -0.33 -0.01 0.00 1.22 0.00 0.00 56.10 57.31 3k72 s TRP 23 Cb 0.00 -0.58 -0.02 0.00 -1.50 0.00 0.00 33.47 31.38 3k72 s TRP 23 CO 0.17 -0.00 -0.09 0.00 -4.62 0.00 0.00 176.95 172.41 3k72 n GLN 25 N 3.24 0.59 -1.65 0.00 10.64 -1.00 -4.93 117.38 124.26 3k72 n GLN 25 Ca -0.18 -0.17 -0.52 0.00 -1.83 0.00 0.00 57.00 54.30 3k72 n GLN 25 Cb 0.53 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.35 3k72 n GLN 25 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3k72 n LYS 26 N -2.14 1.57 -0.98 2.61 4.81 -1.26 -4.02 118.16 118.75 3k72 n LYS 26 Ca -0.03 0.55 -0.30 0.00 -0.87 0.00 0.00 58.31 57.67 3k72 n LYS 26 Cb 0.52 -2.41 0.23 0.00 0.02 0.00 0.00 35.03 33.40 3k72 n LYS 26 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3k72 s LEU 27 N 4.54 0.68 -1.59 3.14 1.43 -1.26 -3.50 118.68 122.12 3k72 s LEU 27 Ca 0.98 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3k72 s LEU 27 Cb -0.87 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3k72 s LEU 27 CO 0.57 -4.07 0.00 0.59 0.23 0.00 0.00 176.35 173.67 3k72 n ASN 28 N -4.75 -4.05 0.11 2.29 3.02 -1.26 -4.78 115.26 105.85 3k72 n ASN 28 Ca 0.10 0.35 0.09 0.00 -0.03 0.00 0.00 54.58 55.10 3k72 n ASN 28 Cb 0.59 -3.68 0.02 0.00 -0.61 0.00 0.00 39.78 36.09 3k72 n ASN 28 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3k72 h PHE 29 N 0.00 0.00 -3.28 3.10 3.57 -1.95 -3.45 116.94 114.93 3k72 h PHE 29 Ca -0.32 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.61 3k72 h PHE 29 Cb 1.01 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.69 3k72 h PHE 29 CO 0.45 0.15 0.46 0.99 -2.23 0.00 0.00 178.31 178.12 3k72 s THR 30 N -3.22 4.85 1.34 4.41 2.01 -1.26 -5.05 115.64 118.72 3k72 s THR 30 Ca 0.01 1.70 -0.22 0.00 0.31 0.00 0.00 61.69 63.49 3k72 s THR 30 Cb 0.08 -4.17 0.34 0.00 0.01 0.00 0.00 72.50 68.77 3k72 s THR 30 CO 0.77 -0.01 0.95 0.61 -0.69 0.00 0.00 174.62 176.25 3k72 n GLY 31 N 3.44 -3.45 0.33 4.40 0.00 -1.26 -4.84 105.19 103.81 3k72 n GLY 31 Ca 0.06 -1.38 0.15 0.00 0.00 0.00 0.00 46.02 44.85 3k72 n GLY 31 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k72 h PRO 32 N 0.00 0.06 -1.18 1.61 0.11 -1.99 -3.09 132.00 127.52 3k72 h PRO 32 Ca -0.39 -0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.33 3k72 h PRO 32 Cb 1.27 -0.01 -0.33 0.00 0.11 0.00 0.00 31.00 32.04 3k72 h PRO 32 CO 0.25 0.04 -0.98 0.41 -0.21 0.00 0.00 178.00 177.51 3k72 n GLY 33 N -1.44 2.29 3.81 -0.55 0.00 -1.26 -5.11 105.19 102.93 3k72 n GLY 33 Ca 0.23 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 3k72 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k72 s ASP 34 N -2.28 5.64 0.79 1.61 1.01 -1.17 -4.59 116.67 117.68 3k72 s ASP 34 Ca 0.32 -0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.42 3k72 s ASP 34 Cb 0.37 -1.53 0.08 0.00 1.01 0.00 0.00 42.92 42.84 3k72 s ASP 34 CO -0.04 0.13 1.19 -2.84 0.21 0.00 0.00 175.17 173.82 3k72 s PRO 35 N -2.70 1.75 0.26 8.23 0.02 -1.26 -4.73 135.00 136.56 3k72 s PRO 35 Ca 0.31 1.71 0.24 0.00 0.02 0.00 0.00 61.00 63.28 3k72 s PRO 35 Cb -0.11 -1.79 0.45 0.00 0.02 0.00 0.00 34.50 33.06 3k72 s PRO 35 CO 0.23 -2.12 1.52 -0.44 -0.33 0.00 0.00 177.00 175.86 3k72 h ASP 36 N -0.83 0.00 0.67 2.53 3.32 -1.99 -3.29 116.42 116.83 3k72 h ASP 36 Ca -0.46 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3k72 h ASP 36 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3k72 h ASP 36 CO 0.47 0.02 0.00 -1.54 -1.72 0.00 0.00 179.24 176.47 3k72 n SER 37 N -2.53 0.00 0.23 6.45 3.41 -1.26 -2.64 113.62 117.28 3k72 n SER 37 Ca 0.04 0.43 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 3k72 n SER 37 Cb 0.48 -0.47 0.51 0.00 -0.26 0.00 0.00 64.21 64.47 3k72 n SER 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3k72 h ILE 38 N 0.00 0.43 0.00 -1.33 3.07 -1.96 -2.55 117.51 115.17 3k72 h ILE 38 Ca 0.00 -0.97 0.00 0.00 1.55 0.00 0.00 64.86 65.44 3k72 h ILE 38 Cb 0.33 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 3k72 h ILE 38 CO 0.00 0.17 0.00 0.03 -1.05 0.00 0.00 178.15 177.30 3k72 h ARG 39 N 0.00 0.00 -3.86 0.16 3.08 -1.77 -3.37 114.38 108.63 3k72 h ARG 39 Ca -0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.32 3k72 h ARG 39 Cb 0.69 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.43 3k72 h ARG 39 CO 0.02 0.00 -0.25 0.00 -1.07 0.00 0.00 179.97 178.67 3k72 n ASP 41 N 4.01 0.46 -4.89 0.00 -0.08 -1.13 -4.93 116.55 110.00 3k72 n ASP 41 Ca 0.05 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.03 3k72 n ASP 41 Cb 0.41 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.83 3k72 n ASP 41 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3k72 s THR 42 N 0.13 4.99 0.27 5.18 -4.23 -1.26 -1.27 115.64 119.45 3k72 s THR 42 Ca 0.00 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3k72 s THR 42 Cb 0.00 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 70.42 3k72 s THR 42 CO 0.00 -0.19 1.73 -0.09 -0.54 0.00 0.00 174.62 175.53 3k72 h ARG 43 N 2.12 0.50 -0.21 3.99 2.43 -1.92 -1.18 114.38 120.12 3k72 h ARG 43 Ca -0.47 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3k72 h ARG 43 Cb 1.18 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3k72 h ARG 43 CO 0.68 0.33 0.12 -1.35 -1.51 0.00 0.00 179.97 178.24 3k72 h PRO 44 N 0.52 0.28 -0.74 0.20 0.11 -1.98 -2.79 132.00 127.61 3k72 h PRO 44 Ca 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3k72 h PRO 44 Cb 0.79 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 3k72 h PRO 44 CO -0.43 0.25 0.48 1.96 -0.21 0.00 0.00 178.00 180.05 3k72 h GLN 45 N 0.24 0.98 -0.74 1.05 1.08 -1.66 -2.01 115.11 114.05 3k72 h GLN 45 Ca 0.07 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3k72 h GLN 45 Cb 0.04 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.22 3k72 h GLN 45 CO -0.01 0.66 0.44 -0.07 -0.95 0.00 0.00 178.83 178.90 3k72 h LEU 46 N 1.01 0.90 -0.75 1.46 3.38 -1.04 -0.43 115.31 119.84 3k72 h LEU 46 Ca 0.27 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3k72 h LEU 46 Cb -0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3k72 h LEU 46 CO -0.06 0.71 -0.46 -0.07 0.09 0.00 0.00 178.44 178.65 3k72 h LEU 47 N 1.02 0.41 -1.15 1.67 3.38 -1.20 0.99 115.31 120.42 3k72 h LEU 47 Ca 0.27 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3k72 h LEU 47 Cb -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3k72 h LEU 47 CO -0.05 0.81 -0.20 -0.03 0.09 0.00 0.00 178.44 179.07 3k72 h MET 48 N 0.31 0.00 0.00 1.13 4.05 -0.77 -2.87 114.93 116.78 3k72 h MET 48 Ca 0.02 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.27 3k72 h MET 48 Cb 0.93 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.70 3k72 h MET 48 CO 0.08 0.20 -1.25 0.00 0.23 0.00 0.00 176.91 176.16 3k72 h ARG 49 N 0.00 0.00 0.00 0.39 3.08 -0.75 -3.48 114.38 113.62 3k72 h ARG 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k72 h ARG 49 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3k72 h ARG 49 CO 0.03 0.37 0.00 0.41 -1.07 0.00 0.00 179.97 179.70 3k72 n GLY 50 N 1.37 1.66 3.70 0.04 0.00 -0.58 -5.09 105.19 106.30 3k72 n GLY 50 Ca -0.08 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.40 3k72 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 n ALA 52 N 5.66 -1.85 0.01 0.00 0.00 -1.26 -4.00 120.51 119.06 3k72 n ALA 52 Ca 0.25 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.96 3k72 n ALA 52 Cb 0.18 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 3k72 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k72 h ALA 53 N -1.53 0.20 0.00 0.00 0.00 -1.97 -3.12 119.26 112.85 3k72 h ALA 53 Ca -0.44 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.84 3k72 h ALA 53 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3k72 h ALA 53 CO 0.37 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 179.85 3k72 n ASP 54 N -3.95 0.00 -1.04 0.00 5.68 -1.26 -2.57 116.55 113.41 3k72 n ASP 54 Ca -0.09 -0.94 0.12 0.00 -0.50 0.00 0.00 54.79 53.38 3k72 n ASP 54 Cb 0.79 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.93 3k72 n ASP 54 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3k72 n ASP 55 N -0.98 3.18 -4.39 -1.12 8.00 -1.18 -4.88 116.55 115.17 3k72 n ASP 55 Ca 0.21 -1.99 -0.44 0.00 0.71 0.00 0.00 54.79 53.28 3k72 n ASP 55 Cb 0.10 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 3k72 n ASP 55 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k72 s ILE 56 N -1.76 4.95 0.47 0.53 1.01 -1.06 -2.37 121.20 122.98 3k72 s ILE 56 Ca 0.33 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 3k72 s ILE 56 Cb 0.21 -4.34 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 3k72 s ILE 56 CO 0.31 -0.89 0.98 -0.04 0.00 0.00 0.00 174.94 175.30 3k72 s MET 57 N 2.36 4.02 -0.38 2.79 -1.94 -0.19 -4.90 119.30 121.07 3k72 s MET 57 Ca 0.10 1.16 0.02 0.00 -1.71 0.00 0.00 55.69 55.26 3k72 s MET 57 Cb -0.23 -2.14 0.28 0.00 2.01 0.00 0.00 34.83 34.75 3k72 s MET 57 CO 0.08 -0.22 1.19 -3.47 -0.01 0.00 0.00 175.02 172.59 3k72 n ASP 58 N -0.97 -1.75 -4.66 3.03 -0.08 -1.26 -3.32 116.55 107.54 3k72 n ASP 58 Ca 0.08 -2.35 -0.42 0.00 -1.51 0.00 0.00 54.79 50.58 3k72 n ASP 58 Cb 0.54 1.20 -0.03 0.00 2.34 0.00 0.00 41.12 45.17 3k72 n ASP 58 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 3k72 s PRO 59 N 0.24 4.19 0.16 -0.67 0.02 -1.26 -4.99 135.00 132.69 3k72 s PRO 59 Ca 0.26 2.20 0.09 0.00 0.02 0.00 0.00 61.00 63.57 3k72 s PRO 59 Cb 0.24 -3.93 -0.04 0.00 0.02 0.00 0.00 34.50 30.79 3k72 s PRO 59 CO -0.14 -0.82 -0.21 0.99 -0.33 0.00 0.00 177.00 176.49 3k72 s THR 60 N 3.82 1.96 0.20 0.99 2.01 -1.26 -4.94 115.64 118.41 3k72 s THR 60 Ca 0.73 -1.88 -0.28 0.00 0.31 0.00 0.00 61.69 60.57 3k72 s THR 60 Cb -0.34 -1.87 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 3k72 s THR 60 CO 0.30 -0.21 0.88 -0.44 -0.69 0.00 0.00 174.62 174.47 3k72 s SER 61 N -2.52 7.54 0.34 3.53 0.01 -1.26 -4.86 113.70 116.48 3k72 s SER 61 Ca 0.15 1.82 -0.05 0.00 1.31 0.00 0.00 55.95 59.18 3k72 s SER 61 Cb -0.07 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.60 3k72 s SER 61 CO 0.07 0.15 0.53 -1.48 0.41 0.00 0.00 173.24 172.92 3k72 s LEU 62 N -1.03 0.79 -0.01 2.44 0.05 -1.21 -4.84 118.68 114.88 3k72 s LEU 62 Ca 0.40 -1.39 0.06 0.00 0.05 0.00 0.00 54.13 53.25 3k72 s LEU 62 Cb -0.25 1.72 -0.02 0.00 -2.05 0.00 0.00 46.19 45.60 3k72 s LEU 62 CO 0.30 -1.35 -0.19 0.00 -0.55 0.00 0.00 176.35 174.55 3k72 s ALA 63 N -2.99 1.60 -0.33 1.48 0.00 -1.26 -2.28 121.76 117.96 3k72 s ALA 63 Ca 0.27 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 3k72 s ALA 63 Cb -0.01 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.74 3k72 s ALA 63 CO 0.18 0.39 0.12 -2.00 0.00 0.00 0.00 175.76 174.45 3k72 s GLU 64 N -0.55 2.82 -1.10 0.00 2.12 -1.06 -4.99 118.70 115.95 3k72 s GLU 64 Ca 0.07 -1.05 -0.09 0.00 0.36 0.00 0.00 54.97 54.26 3k72 s GLU 64 Cb -0.08 -3.51 0.27 0.00 0.26 0.00 0.00 34.13 31.08 3k72 s GLU 64 CO -0.00 -0.60 1.09 0.95 -0.54 0.00 0.00 175.26 176.15 3k72 s THR 65 N 1.47 5.94 -1.12 -1.70 -4.23 -1.26 -1.88 115.64 112.86 3k72 s THR 65 Ca 0.01 -3.42 -0.21 0.00 -1.18 0.00 0.00 61.69 56.88 3k72 s THR 65 Cb -0.19 -4.57 0.05 0.00 1.34 0.00 0.00 72.50 69.13 3k72 s THR 65 CO 0.04 -1.18 1.59 -1.10 -0.54 0.00 0.00 174.62 173.43 3k72 s GLN 66 N -1.23 3.63 0.44 3.99 -1.52 -1.07 -4.98 119.66 118.92 3k72 s GLN 66 Ca 0.30 -1.38 -0.23 0.00 -1.95 0.00 0.00 55.36 52.10 3k72 s GLN 66 Cb -0.10 -5.40 -0.08 0.00 -0.22 0.00 0.00 33.01 27.21 3k72 s GLN 66 CO -0.08 -2.35 1.10 -1.21 -0.25 0.00 0.00 175.29 172.49 3k72 s GLU 67 N 4.88 3.91 0.92 2.91 2.02 -1.26 -3.97 118.70 128.11 3k72 s GLU 67 Ca 0.51 1.59 -0.12 0.00 0.02 0.00 0.00 54.97 56.97 3k72 s GLU 67 Cb 0.01 -2.39 0.20 0.00 0.10 0.00 0.00 34.13 32.05 3k72 s GLU 67 CO -0.02 -0.38 1.26 -0.51 0.02 0.00 0.00 175.26 175.63 3k72 s ASP 68 N -1.56 3.23 0.00 -0.19 1.01 -1.26 -5.03 116.67 112.88 3k72 s ASP 68 Ca 0.62 -0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.88 3k72 s ASP 68 Cb -0.24 -0.05 0.00 0.00 1.01 0.00 0.00 42.92 43.64 3k72 s ASP 68 CO 0.29 -2.63 0.13 1.41 0.21 0.00 0.00 175.17 174.57 3k72 n HIS 69 N -3.59 0.00 -3.60 4.23 8.25 -1.26 -5.05 115.22 114.20 3k72 n HIS 69 Ca 0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.56 3k72 n HIS 69 Cb 0.60 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.66 3k72 n HIS 69 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3k72 s ASN 70 N -1.44 -0.20 0.00 0.41 2.47 -1.26 -4.92 114.94 110.00 3k72 s ASN 70 Ca 0.00 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.47 3k72 s ASN 70 Cb 0.00 0.17 0.00 0.00 -1.45 0.00 0.00 41.25 39.97 3k72 s ASN 70 CO 0.00 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.78 3k72 n GLY 71 N 0.51 2.56 0.31 1.21 0.00 -1.26 -4.85 105.19 103.67 3k72 n GLY 71 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 3k72 n GLY 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k72 h GLY 72 N 0.00 -1.15 -2.86 -0.02 0.00 -1.97 -3.45 103.07 93.63 3k72 h GLY 72 Ca 0.00 0.57 -0.19 0.00 0.00 0.00 0.00 47.33 47.71 3k72 h GLY 72 CO 0.00 -0.34 -0.65 1.20 0.00 0.00 0.00 176.54 176.76 3k72 s GLN 73 N -4.75 0.96 -0.20 4.80 -0.21 -1.26 -5.10 119.66 113.89 3k72 s GLN 73 Ca -0.11 -1.46 -0.15 0.00 0.02 0.00 0.00 55.36 53.66 3k72 s GLN 73 Cb 0.03 0.24 -0.08 0.00 1.00 0.00 0.00 33.01 34.20 3k72 s GLN 73 CO 0.38 -0.27 -0.24 1.63 -2.12 0.00 0.00 175.29 174.66 3k72 n LYS 74 N -0.11 0.53 -0.35 2.91 5.02 -1.26 -4.76 118.16 120.14 3k72 n LYS 74 Ca -0.05 0.34 0.01 0.00 -2.02 0.00 0.00 58.31 56.59 3k72 n LYS 74 Cb 0.64 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 34.12 3k72 n LYS 74 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3k72 n GLN 75 N -4.44 0.17 -3.89 1.97 1.13 -1.26 -4.94 117.38 106.12 3k72 n GLN 75 Ca -0.24 -1.02 -0.33 0.00 -1.94 0.00 0.00 57.00 53.47 3k72 n GLN 75 Cb 0.57 -0.59 -0.13 0.00 0.11 0.00 0.00 30.24 30.20 3k72 n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3k72 s LEU 76 N -0.24 4.79 0.10 1.08 1.43 -1.26 -3.51 118.68 121.06 3k72 s LEU 76 Ca 0.02 -2.60 0.06 0.00 -1.03 0.00 0.00 54.13 50.59 3k72 s LEU 76 Cb 0.02 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 3k72 s LEU 76 CO 0.00 -0.35 -0.16 -0.94 0.23 0.00 0.00 176.35 175.13 3k72 s SER 77 N 0.58 2.07 1.10 2.29 1.04 -1.07 -4.28 113.70 115.44 3k72 s SER 77 Ca 0.14 -0.69 -0.14 0.00 0.48 0.00 0.00 55.95 55.74 3k72 s SER 77 Cb -0.22 -0.09 0.24 0.00 0.10 0.00 0.00 66.02 66.05 3k72 s SER 77 CO -0.04 -0.05 1.07 -2.16 0.98 0.00 0.00 173.24 173.04 3k72 s PRO 78 N -2.04 -0.43 -0.02 4.02 0.04 -1.26 -0.97 135.00 134.33 3k72 s PRO 78 Ca 0.04 0.49 0.18 0.00 0.04 0.00 0.00 61.00 61.75 3k72 s PRO 78 Cb -0.09 -1.64 -0.28 0.00 0.04 0.00 0.00 34.50 32.54 3k72 s PRO 78 CO 0.03 -3.31 0.45 1.04 0.04 0.00 0.00 177.00 175.25 3k72 n GLN 79 N -4.57 0.62 -3.47 4.56 3.00 -1.26 -4.88 117.38 111.38 3k72 n GLN 79 Ca 0.05 -0.15 -0.18 0.00 -0.01 0.00 0.00 57.00 56.71 3k72 n GLN 79 Cb 0.57 -1.43 -0.12 0.00 0.00 0.00 0.00 30.24 29.26 3k72 n GLN 79 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3k72 s LYS 80 N -3.21 0.22 -0.42 -1.09 1.02 -1.26 -3.42 119.74 111.59 3k72 s LYS 80 Ca -0.05 0.12 -0.08 0.00 0.02 0.00 0.00 55.97 55.97 3k72 s LYS 80 Cb 0.12 -1.08 0.09 0.00 -0.52 0.00 0.00 37.83 36.44 3k72 s LYS 80 CO 0.76 -0.74 0.26 0.08 -0.92 0.00 0.00 175.35 174.79 3k72 s VAL 81 N 2.33 4.12 -0.92 3.17 1.01 -1.25 -2.60 120.40 126.26 3k72 s VAL 81 Ca 0.08 -1.50 -0.16 0.00 0.00 0.00 0.00 61.98 60.40 3k72 s VAL 81 Cb -0.15 -3.56 0.18 0.00 0.00 0.00 0.00 36.38 32.84 3k72 s VAL 81 CO -0.17 -0.55 1.00 -0.89 0.00 0.00 0.00 175.10 174.49 3k72 s THR 82 N 1.39 5.21 0.33 3.92 2.01 -0.79 -1.65 115.64 126.05 3k72 s THR 82 Ca 0.04 -2.15 -0.21 0.00 0.31 0.00 0.00 61.69 59.68 3k72 s THR 82 Cb -0.23 -4.65 -0.10 0.00 0.01 0.00 0.00 72.50 67.53 3k72 s THR 82 CO 0.01 -1.30 0.85 -1.48 -0.69 0.00 0.00 174.62 172.02 3k72 s LEU 83 N 1.29 4.18 -0.51 4.42 0.05 -1.08 -2.56 118.68 124.47 3k72 s LEU 83 Ca 0.27 1.59 -0.02 0.00 0.05 0.00 0.00 54.13 56.02 3k72 s LEU 83 Cb -0.07 -4.07 0.13 0.00 -2.05 0.00 0.00 46.19 40.13 3k72 s LEU 83 CO -0.09 -0.15 0.31 -0.31 -0.55 0.00 0.00 176.35 175.56 3k72 s TYR 84 N -1.82 3.49 -0.31 3.48 1.51 -0.97 -2.11 117.35 120.63 3k72 s TYR 84 Ca 0.53 -2.59 -0.12 0.00 -1.01 0.00 0.00 57.07 53.87 3k72 s TYR 84 Cb -0.14 -3.19 -0.03 0.00 -0.11 0.00 0.00 41.96 38.48 3k72 s TYR 84 CO 0.19 -0.90 0.23 -1.17 -1.11 0.00 0.00 175.55 172.78 3k72 s LEU 85 N 0.53 4.27 -0.00 -1.29 2.96 -0.99 -3.30 118.68 120.86 3k72 s LEU 85 Ca 0.13 -0.20 -0.22 0.00 -0.22 0.00 0.00 54.13 53.62 3k72 s LEU 85 Cb -0.22 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 3k72 s LEU 85 CO -0.04 -0.15 0.64 -0.60 -1.32 0.00 0.00 176.35 174.88 3k72 s ARG 86 N 1.77 4.37 0.28 1.98 3.52 -1.24 -1.94 118.95 127.69 3k72 s ARG 86 Ca 0.07 0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 56.19 3k72 s ARG 86 Cb -0.17 -3.36 -0.13 0.00 -1.56 0.00 0.00 34.95 29.73 3k72 s ARG 86 CO 0.11 0.31 1.20 -2.30 -0.81 0.00 0.00 175.30 173.81 3k72 n PRO 87 N 2.89 1.73 0.00 5.12 -0.02 -1.26 -1.71 135.00 141.75 3k72 n PRO 87 Ca -0.05 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3k72 n PRO 87 Cb 0.51 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3k72 n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k72 n GLY 88 N 1.37 2.75 3.70 -1.23 0.00 -0.75 -4.97 105.19 106.07 3k72 n GLY 88 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3k72 n GLY 88 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k72 s GLN 89 N -0.06 3.98 0.04 1.61 0.74 -0.69 -4.93 119.66 120.35 3k72 s GLN 89 Ca 0.00 -0.27 -0.22 0.00 0.05 0.00 0.00 55.36 54.92 3k72 s GLN 89 Cb 0.00 -3.28 -0.06 0.00 1.10 0.00 0.00 33.01 30.77 3k72 s GLN 89 CO 0.00 0.35 0.65 0.00 -0.55 0.00 0.00 175.29 175.74 3k72 s ALA 90 N 0.18 3.47 -0.18 1.58 0.00 -1.26 -4.37 121.76 121.18 3k72 s ALA 90 Ca 0.07 0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 3k72 s ALA 90 Cb -0.12 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 3k72 s ALA 90 CO -0.00 0.20 0.06 0.00 0.00 0.00 0.00 175.76 176.02 3k72 s ALA 91 N -0.45 3.39 -0.13 0.00 0.00 -0.93 -4.80 121.76 118.85 3k72 s ALA 91 Ca 0.33 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3k72 s ALA 91 Cb -0.20 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 3k72 s ALA 91 CO 0.20 0.18 -0.16 0.00 0.00 0.00 0.00 175.76 175.98 3k72 s ALA 92 N 0.36 2.47 -0.02 0.00 0.00 -1.26 -2.09 121.76 121.23 3k72 s ALA 92 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3k72 s ALA 92 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.90 3k72 s ALA 92 CO 0.00 0.18 0.01 -0.59 0.00 0.00 0.00 175.76 175.36 3k72 s PHE 93 N 0.48 0.20 0.70 0.00 -0.12 -0.93 -4.68 117.98 113.63 3k72 s PHE 93 Ca -0.11 0.04 -0.11 0.00 -0.05 0.00 0.00 56.93 56.70 3k72 s PHE 93 Cb -0.16 -0.31 0.02 0.00 -0.63 0.00 0.00 43.02 41.94 3k72 s PHE 93 CO 0.05 -0.10 1.09 -0.80 -0.05 0.00 0.00 175.22 175.41 3k72 s ASN 94 N 0.89 5.39 -0.26 1.98 -0.87 -1.26 -2.38 114.94 118.43 3k72 s ASN 94 Ca -0.08 1.06 -0.03 0.00 -1.57 0.00 0.00 52.86 52.24 3k72 s ASN 94 Cb -0.12 -1.85 0.09 0.00 -0.02 0.00 0.00 41.25 39.34 3k72 s ASN 94 CO -0.02 -1.36 0.10 -0.69 -2.57 0.00 0.00 177.10 172.56 3k72 s VAL 95 N -3.34 0.27 -0.19 1.60 1.01 -0.59 -4.39 120.40 114.76 3k72 s VAL 95 Ca 0.58 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 3k72 s VAL 95 Cb -0.11 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 3k72 s VAL 95 CO 0.51 -0.54 0.93 -0.89 0.00 0.00 0.00 175.10 175.12 3k72 s THR 96 N 1.95 4.79 -0.20 3.92 2.01 -0.14 -3.12 115.64 124.84 3k72 s THR 96 Ca 0.06 1.83 -0.02 0.00 0.31 0.00 0.00 61.69 63.87 3k72 s THR 96 Cb -0.16 -4.23 0.06 0.00 0.01 0.00 0.00 72.50 68.18 3k72 s THR 96 CO -0.24 -0.06 0.01 0.12 -0.69 0.00 0.00 174.62 173.76 3k72 s PHE 97 N 2.59 1.35 -0.61 4.92 5.36 -1.25 -2.59 117.98 127.74 3k72 s PHE 97 Ca 0.42 -1.06 0.04 0.00 -0.96 0.00 0.00 56.93 55.37 3k72 s PHE 97 Cb -0.16 -1.16 0.16 0.00 -0.34 0.00 0.00 43.02 41.52 3k72 s PHE 97 CO 0.10 -0.64 0.41 0.50 -1.46 0.00 0.00 175.22 174.13 3k72 s ARG 98 N 1.75 2.10 0.93 10.12 3.52 -1.23 -1.66 118.95 134.48 3k72 s ARG 98 Ca -0.02 -2.96 -0.14 0.00 -0.13 0.00 0.00 55.73 52.48 3k72 s ARG 98 Cb -0.17 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 3k72 s ARG 98 CO -0.07 -1.25 0.11 -2.13 -0.81 0.00 0.00 175.30 171.15 3k72 n ARG 99 N 2.42 -0.16 -0.02 5.12 0.63 -1.26 -4.84 116.66 118.56 3k72 n ARG 99 Ca 0.17 -0.01 -0.04 0.00 -0.92 0.00 0.00 57.85 57.05 3k72 n ARG 99 Cb 0.36 -1.63 -0.01 0.00 0.45 0.00 0.00 32.46 31.62 3k72 n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k72 n ALA 100 N -3.18 2.53 -3.00 5.13 0.00 -1.17 -3.86 120.51 116.96 3k72 n ALA 100 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3k72 n ALA 100 Cb 0.54 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.43 3k72 n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3k72 n LYS 101 N -3.01 0.00 -4.47 0.00 4.81 -1.26 -4.60 118.16 109.63 3k72 n LYS 101 Ca -0.07 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.13 3k72 n LYS 101 Cb 0.56 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.44 3k72 n LYS 101 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3k72 s GLY 102 N -0.68 0.73 0.78 3.14 0.00 -1.26 -5.07 107.32 104.96 3k72 s GLY 102 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 3k72 s GLY 102 CO 0.00 0.22 1.07 -0.19 0.00 0.00 0.00 173.10 174.20 3k72 s TYR 103 N 0.77 1.23 -0.16 1.90 1.51 -1.26 -4.74 117.35 116.60 3k72 s TYR 103 Ca -0.13 -0.32 -0.35 0.00 -1.01 0.00 0.00 57.07 55.26 3k72 s TYR 103 Cb -0.15 -3.14 -0.12 0.00 -0.11 0.00 0.00 41.96 38.44 3k72 s TYR 103 CO 0.02 -1.99 1.92 -2.30 -1.11 0.00 0.00 175.55 172.09 3k72 n PRO 104 N -3.02 1.89 -2.11 -1.71 -0.02 -1.26 -4.81 135.00 123.96 3k72 n PRO 104 Ca 0.17 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 62.03 3k72 n PRO 104 Cb 0.61 -2.58 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3k72 n PRO 104 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3k72 s ILE 105 N 4.64 3.64 -0.44 4.25 2.07 -1.26 -2.80 121.20 131.30 3k72 s ILE 105 Ca 0.96 0.30 0.07 0.00 -1.41 0.00 0.00 60.65 60.57 3k72 s ILE 105 Cb -0.75 -3.49 0.18 0.00 0.13 0.00 0.00 42.46 38.53 3k72 s ILE 105 CO 0.53 -0.59 0.59 -0.62 -1.91 0.00 0.00 174.94 172.94 3k72 s ASP 106 N -4.32 -0.81 0.64 4.50 -1.08 -1.25 -2.18 116.67 112.17 3k72 s ASP 106 Ca 0.56 -1.39 -0.09 0.00 -0.52 0.00 0.00 52.55 51.10 3k72 s ASP 106 Cb -0.11 1.52 -0.00 0.00 -1.46 0.00 0.00 42.92 42.87 3k72 s ASP 106 CO 0.49 -0.15 1.00 -0.76 0.52 0.00 0.00 175.17 176.28 3k72 s LEU 107 N 1.34 3.13 -0.21 -1.34 1.43 -1.08 -1.44 118.68 120.50 3k72 s LEU 107 Ca 0.22 1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 54.31 3k72 s LEU 107 Cb -0.04 -3.95 0.09 0.00 0.03 0.00 0.00 46.19 42.31 3k72 s LEU 107 CO -0.06 -1.09 0.47 -0.47 0.23 0.00 0.00 176.35 175.42 3k72 s TYR 108 N -3.17 -0.83 -0.61 0.29 5.04 -0.66 -2.39 117.35 115.02 3k72 s TYR 108 Ca 0.55 1.61 -0.17 0.00 -2.44 0.00 0.00 57.07 56.62 3k72 s TYR 108 Cb -0.11 0.38 0.13 0.00 0.35 0.00 0.00 41.96 42.71 3k72 s TYR 108 CO 0.50 -0.47 0.65 -0.47 -1.34 0.00 0.00 175.55 174.42 3k72 s TYR 109 N 2.21 3.19 -0.80 4.97 5.04 -0.79 -2.43 117.35 128.73 3k72 s TYR 109 Ca -0.05 -1.23 -0.23 0.00 -2.44 0.00 0.00 57.07 53.12 3k72 s TYR 109 Cb -0.10 -3.92 0.07 0.00 0.35 0.00 0.00 41.96 38.36 3k72 s TYR 109 CO -0.14 -1.16 1.17 -0.51 -1.34 0.00 0.00 175.55 173.57 3k72 s LEU 110 N 1.96 4.06 -0.13 6.97 1.43 -0.95 -2.19 118.68 129.82 3k72 s LEU 110 Ca 0.10 -1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.00 3k72 s LEU 110 Cb -0.24 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3k72 s LEU 110 CO 0.03 -1.47 -0.04 -0.32 0.23 0.00 0.00 176.35 174.77 3k72 s MET 111 N 4.36 3.44 -0.24 1.70 -2.45 -1.10 -1.81 119.30 123.19 3k72 s MET 111 Ca 0.32 -0.51 -0.29 0.00 -1.25 0.00 0.00 55.69 53.96 3k72 s MET 111 Cb -0.09 -2.84 0.01 0.00 1.25 0.00 0.00 34.83 33.15 3k72 s MET 111 CO 0.03 0.37 1.08 0.34 1.05 0.00 0.00 175.02 177.89 3k72 s ASP 112 N 0.02 7.04 -0.87 1.11 2.15 -0.62 -2.76 116.67 122.74 3k72 s ASP 112 Ca 0.00 1.36 -0.16 0.00 0.43 0.00 0.00 52.55 54.19 3k72 s ASP 112 Cb -0.13 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.13 3k72 s ASP 112 CO 0.03 -0.73 0.92 -0.76 -0.17 0.00 0.00 175.17 174.46 3k72 s LEU 113 N 3.35 6.04 0.00 -1.34 1.43 -0.86 -4.73 118.68 122.58 3k72 s LEU 113 Ca 0.46 -2.43 0.01 0.00 -1.03 0.00 0.00 54.13 51.14 3k72 s LEU 113 Cb -0.15 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.77 3k72 s LEU 113 CO 0.09 -0.78 0.02 -1.20 0.23 0.00 0.00 176.35 174.72 3k72 n SER 114 N 5.05 2.90 0.10 2.29 7.64 -1.26 -3.33 113.62 127.01 3k72 n SER 114 Ca 0.18 -3.00 0.13 0.00 1.01 0.00 0.00 58.87 57.19 3k72 n SER 114 Cb 0.48 0.43 0.43 0.00 -1.01 0.00 0.00 64.21 64.54 3k72 n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k72 n TYR 115 N -1.09 0.82 0.45 1.43 9.36 -1.26 -2.39 117.16 124.48 3k72 n TYR 115 Ca -0.17 0.25 0.12 0.00 3.32 0.00 0.00 57.90 61.42 3k72 n TYR 115 Cb 0.58 -0.90 0.21 0.00 -0.63 0.00 0.00 39.34 38.60 3k72 n TYR 115 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3k72 h SER 116 N 0.00 0.00 -0.97 2.98 4.64 -1.95 -3.31 113.55 114.94 3k72 h SER 116 Ca 0.00 -0.08 -0.66 0.00 -0.47 0.00 0.00 61.79 60.58 3k72 h SER 116 Cb 0.68 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.45 3k72 h SER 116 CO 0.00 0.04 0.56 0.23 -0.87 0.00 0.00 176.83 176.79 3k72 n MET 117 N -2.43 2.87 -0.04 4.77 2.81 -1.01 -4.65 117.12 119.45 3k72 n MET 117 Ca 0.04 -3.46 -0.00 0.00 -1.81 0.00 0.00 57.70 52.46 3k72 n MET 117 Cb 0.47 -2.29 -0.00 0.00 -0.71 0.00 0.00 33.22 30.69 3k72 n MET 117 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3k72 h LEU 118 N 2.05 0.00 -0.53 4.03 3.38 -1.67 -2.83 115.31 119.74 3k72 h LEU 118 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 3k72 h LEU 118 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3k72 h LEU 118 CO 1.44 0.36 0.00 -0.90 0.09 0.00 0.00 178.44 179.43 3k72 n ASP 119 N -3.96 0.30 0.07 -0.43 5.68 -1.26 -0.73 116.55 116.22 3k72 n ASP 119 Ca -0.00 0.61 -0.21 0.00 -0.50 0.00 0.00 54.79 54.68 3k72 n ASP 119 Cb 0.01 -0.66 -0.13 0.00 -1.14 0.00 0.00 41.12 39.20 3k72 n ASP 119 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3k72 h ASP 120 N 0.00 0.78 0.48 -1.12 5.19 -1.77 -2.26 116.42 117.72 3k72 h ASP 120 Ca 0.00 -0.82 -0.07 0.00 -0.62 0.00 0.00 57.03 55.52 3k72 h ASP 120 Cb 0.15 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 3k72 h ASP 120 CO 0.00 1.52 -0.35 0.25 -3.12 0.00 0.00 179.24 177.54 3k72 h LEU 121 N 0.15 0.00 0.07 1.55 6.46 -0.66 -2.69 115.31 120.19 3k72 h LEU 121 Ca -0.16 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.45 3k72 h LEU 121 Cb 1.76 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.71 3k72 h LEU 121 CO 0.21 0.35 -0.64 -0.09 -0.62 0.00 0.00 178.44 177.65 3k72 h ARG 122 N 0.00 0.30 -0.50 1.25 2.43 -1.33 0.21 114.38 116.74 3k72 h ARG 122 Ca -0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3k72 h ARG 122 Cb 0.68 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3k72 h ARG 122 CO 0.04 1.15 0.00 0.09 -1.51 0.00 0.00 179.97 179.75 3k72 n ASN 123 N -4.22 1.41 0.00 -3.80 5.03 -0.85 -3.79 115.26 109.03 3k72 n ASN 123 Ca -0.12 -2.09 0.00 0.00 0.87 0.00 0.00 54.58 53.24 3k72 n ASN 123 Cb 0.72 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 3k72 n ASN 123 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3k72 n VAL 124 N 0.05 0.00 -0.36 2.41 0.31 -1.02 -4.74 118.33 114.99 3k72 n VAL 124 Ca 0.06 0.00 0.37 0.00 -0.01 0.00 0.00 64.34 64.76 3k72 n VAL 124 Cb 0.28 0.22 0.75 0.00 -0.91 0.00 0.00 33.84 34.19 3k72 n VAL 124 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3k72 h LYS 125 N 0.00 0.00 -0.58 5.55 2.10 -0.66 -3.04 116.57 119.93 3k72 h LYS 125 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 3k72 h LYS 125 Cb 0.00 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.11 3k72 h LYS 125 CO 0.00 0.00 -0.66 1.63 -2.00 0.00 0.00 179.45 178.42 3k72 n LYS 126 N -4.10 0.94 -3.30 0.07 5.02 -1.26 -3.67 118.16 111.86 3k72 n LYS 126 Ca 0.27 -2.30 -0.27 0.00 -2.02 0.00 0.00 58.31 53.99 3k72 n LYS 126 Cb 1.34 -1.27 -0.07 0.00 -0.02 0.00 0.00 35.03 35.01 3k72 n LYS 126 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3k72 n LEU 127 N 0.67 3.90 -0.06 -0.35 7.94 -1.15 -4.80 117.00 123.15 3k72 n LEU 127 Ca 0.12 -5.50 0.01 0.00 -1.11 0.00 0.00 56.01 49.54 3k72 n LEU 127 Cb 0.66 -0.63 -0.00 0.00 0.53 0.00 0.00 43.42 43.99 3k72 n LEU 127 CO 0.09 2.13 0.14 0.61 -1.11 0.00 0.00 177.39 179.25 3k72 n GLY 128 N 0.59 -0.18 0.24 -3.96 0.00 -1.26 -4.46 105.19 96.15 3k72 n GLY 128 Ca 0.30 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.37 3k72 n GLY 128 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k72 h GLY 129 N 0.67 0.00 -0.71 -0.02 0.00 -1.88 -2.78 103.07 98.35 3k72 h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k72 h GLY 129 CO 0.00 0.00 -0.27 2.09 0.00 0.00 0.00 176.54 178.36 3k72 n ASP 130 N -3.11 1.82 -0.07 0.19 5.75 -1.26 -3.25 116.55 116.61 3k72 n ASP 130 Ca 0.02 -1.40 -0.17 0.00 -0.01 0.00 0.00 54.79 53.23 3k72 n ASP 130 Cb 0.44 0.23 -0.13 0.00 -1.03 0.00 0.00 41.12 40.64 3k72 n ASP 130 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3k72 h LEU 131 N 2.43 0.05 -1.74 -2.12 3.38 -1.71 -1.18 115.31 114.42 3k72 h LEU 131 Ca 0.00 -0.87 -0.04 0.00 0.09 0.00 0.00 57.88 57.06 3k72 h LEU 131 Cb 0.69 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3k72 h LEU 131 CO 0.00 1.17 -0.17 -0.07 0.09 0.00 0.00 178.44 179.46 3k72 h LEU 132 N -0.92 0.00 -0.43 1.67 4.07 -1.71 0.21 115.31 118.19 3k72 h LEU 132 Ca -0.11 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.68 3k72 h LEU 132 Cb 1.15 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 3k72 h LEU 132 CO -0.04 0.17 -0.53 -0.09 -1.08 0.00 0.00 178.44 176.87 3k72 h ARG 133 N 0.00 0.71 0.00 1.13 2.43 -1.60 0.17 114.38 117.22 3k72 h ARG 133 Ca -0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3k72 h ARG 133 Cb 0.40 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3k72 h ARG 133 CO 0.02 1.06 -0.00 0.00 -1.51 0.00 0.00 179.97 179.54 3k72 n ALA 134 N -2.54 2.34 0.31 2.80 0.00 -0.45 -2.93 120.51 120.04 3k72 n ALA 134 Ca -0.03 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.42 3k72 n ALA 134 Cb 0.61 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 3k72 n ALA 134 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3k72 n LEU 135 N -1.57 0.44 -0.17 0.00 7.94 0.65 -4.45 117.00 119.84 3k72 n LEU 135 Ca 0.07 -0.03 -0.08 0.00 -1.11 0.00 0.00 56.01 54.86 3k72 n LEU 135 Cb 0.35 -0.04 0.01 0.00 0.53 0.00 0.00 43.42 44.27 3k72 n LEU 135 CO 0.27 0.02 0.93 -1.13 -1.11 0.00 0.00 177.39 176.38 3k72 h ASN 136 N 0.00 0.70 0.02 1.96 -1.24 -0.56 -3.05 115.58 113.41 3k72 h ASN 136 Ca 0.00 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 56.82 3k72 h ASN 136 Cb 0.85 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.72 3k72 h ASN 136 CO 0.00 0.69 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.49 3k72 h GLU 137 N 0.66 -0.04 0.00 6.67 3.07 -1.78 -3.39 114.58 119.77 3k72 h GLU 137 Ca 0.16 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3k72 h GLU 137 Cb 0.23 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3k72 h GLU 137 CO -0.01 -0.03 -0.00 0.82 -1.40 0.00 0.00 179.01 178.39 3k72 h ILE 138 N -0.04 0.00 -3.48 3.13 1.08 -1.86 -3.46 117.51 112.88 3k72 h ILE 138 Ca -0.00 -0.01 -0.48 0.00 -0.39 0.00 0.00 64.86 63.98 3k72 h ILE 138 Cb 0.03 0.00 0.05 0.00 -3.07 0.00 0.00 36.82 33.83 3k72 h ILE 138 CO -0.00 0.00 0.12 -0.89 -0.69 0.00 0.00 178.15 176.69 3k72 s THR 139 N -1.45 3.93 0.00 -0.27 2.01 -1.15 -4.84 115.64 113.88 3k72 s THR 139 Ca -0.00 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.95 3k72 s THR 139 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3k72 s THR 139 CO 0.00 -0.51 0.00 -1.84 -0.69 0.00 0.00 174.62 171.58 3k72 n GLU 140 N -2.44 0.00 -1.70 4.92 0.28 -1.26 -4.07 120.64 116.37 3k72 n GLU 140 Ca 0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.77 3k72 n GLU 140 Cb 0.57 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.39 3k72 n GLU 140 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3k72 s SER 141 N -0.76 4.45 0.00 -1.84 1.04 -1.26 -4.84 113.70 110.49 3k72 s SER 141 Ca 0.00 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 3k72 s SER 141 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3k72 s SER 141 CO 0.00 -3.16 0.00 0.61 0.98 0.00 0.00 173.24 171.67 3k72 n GLY 142 N 6.38 1.19 3.10 7.32 0.00 -1.26 -4.71 105.19 117.21 3k72 n GLY 142 Ca 0.39 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 3k72 n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k72 s ARG 143 N 2.20 0.63 -0.03 1.61 1.81 -0.92 -4.72 118.95 119.52 3k72 s ARG 143 Ca 0.00 -1.03 0.00 0.00 -1.72 0.00 0.00 55.73 52.98 3k72 s ARG 143 Cb 0.00 -0.15 0.03 0.00 -0.45 0.00 0.00 34.95 34.38 3k72 s ARG 143 CO 0.00 -0.01 0.01 0.42 -0.68 0.00 0.00 175.30 175.04 3k72 s ILE 144 N -2.60 0.17 0.12 1.52 1.09 -1.08 -2.64 121.20 117.77 3k72 s ILE 144 Ca 0.00 0.11 0.02 0.00 -1.10 0.00 0.00 60.65 59.68 3k72 s ILE 144 Cb -0.02 -0.28 -0.04 0.00 -1.06 0.00 0.00 42.46 41.06 3k72 s ILE 144 CO -0.03 0.15 -0.04 -0.83 -0.10 0.00 0.00 174.94 174.09 3k72 s GLY 145 N 1.17 0.89 0.03 6.18 0.00 -1.01 -2.42 107.32 112.17 3k72 s GLY 145 Ca -0.08 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.25 3k72 s GLY 145 CO -0.02 -1.47 -0.07 -0.12 0.00 0.00 0.00 173.10 171.41 3k72 s PHE 146 N -3.64 0.63 -0.14 1.90 5.36 -1.07 -1.89 117.98 119.12 3k72 s PHE 146 Ca 0.15 -0.35 -0.06 0.00 -0.96 0.00 0.00 56.93 55.71 3k72 s PHE 146 Cb 0.06 -0.38 0.06 0.00 -0.34 0.00 0.00 43.02 42.41 3k72 s PHE 146 CO -0.02 -0.05 0.31 0.20 -1.46 0.00 0.00 175.22 174.20 3k72 s GLY 147 N -1.07 -0.21 0.38 13.12 0.00 -0.93 -3.18 107.32 115.43 3k72 s GLY 147 Ca -0.05 1.17 0.02 0.00 0.00 0.00 0.00 44.72 45.85 3k72 s GLY 147 CO 0.00 1.72 0.57 -0.45 0.00 0.00 0.00 173.10 174.94 3k72 s SER 148 N 1.82 6.08 -0.14 1.64 0.15 -1.11 -2.73 113.70 119.42 3k72 s SER 148 Ca -0.05 0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.57 3k72 s SER 148 Cb -0.11 -1.72 0.12 0.00 -1.71 0.00 0.00 66.02 62.60 3k72 s SER 148 CO -0.10 -0.45 0.94 0.72 1.20 0.00 0.00 173.24 175.55 3k72 s PHE 149 N -2.36 -0.43 0.00 3.44 -0.12 -1.11 -2.52 117.98 114.88 3k72 s PHE 149 Ca 0.43 0.73 0.00 0.00 -0.05 0.00 0.00 56.93 58.04 3k72 s PHE 149 Cb -0.10 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 3k72 s PHE 149 CO 0.35 -0.39 0.00 0.28 -0.05 0.00 0.00 175.22 175.41 3k72 n VAL 150 N 0.76 0.00 -3.60 -2.49 0.31 -1.09 -2.03 118.33 110.20 3k72 n VAL 150 Ca -0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 3k72 n VAL 150 Cb 0.58 -0.20 -0.02 0.00 -0.91 0.00 0.00 33.84 33.29 3k72 n VAL 150 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k72 s ASP 151 N -0.01 -0.13 0.44 4.52 -1.08 -1.15 -2.62 116.67 116.64 3k72 s ASP 151 Ca 0.00 -0.00 -0.21 0.00 -0.52 0.00 0.00 52.55 51.82 3k72 s ASP 151 Cb 0.00 0.14 -0.13 0.00 -1.46 0.00 0.00 42.92 41.47 3k72 s ASP 151 CO 0.00 -0.22 0.39 1.17 0.52 0.00 0.00 175.17 177.03 3k72 n LYS 152 N -0.09 0.39 0.01 4.34 4.81 -1.26 -4.15 118.16 122.20 3k72 n LYS 152 Ca 0.01 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.46 3k72 n LYS 152 Cb 0.58 -1.38 -0.09 0.00 0.02 0.00 0.00 35.03 34.16 3k72 n LYS 152 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3k72 h THR 153 N 0.56 1.26 -4.24 3.15 2.02 -1.92 -3.40 112.91 110.34 3k72 h THR 153 Ca -0.40 -0.78 -0.48 0.00 0.77 0.00 0.00 66.41 65.51 3k72 h THR 153 Cb 1.41 1.79 0.03 0.00 -1.74 0.00 0.00 68.15 69.64 3k72 h THR 153 CO 0.49 0.20 0.39 0.54 0.37 0.00 0.00 175.52 177.51 3k72 s VAL 154 N -4.86 4.60 1.17 3.16 0.11 -1.26 -4.53 120.40 118.79 3k72 s VAL 154 Ca -0.15 1.10 -0.17 0.00 -2.93 0.00 0.00 61.98 59.82 3k72 s VAL 154 Cb 0.03 -3.77 0.27 0.00 -1.53 0.00 0.00 36.38 31.38 3k72 s VAL 154 CO 0.67 -0.84 1.08 -1.48 -3.33 0.00 0.00 175.10 171.20 3k72 s LEU 155 N -4.44 0.74 0.00 2.54 0.05 -1.19 -3.39 118.68 112.99 3k72 s LEU 155 Ca 0.57 0.86 0.00 0.00 0.05 0.00 0.00 54.13 55.62 3k72 s LEU 155 Cb -0.10 -2.69 0.00 0.00 -2.05 0.00 0.00 46.19 41.35 3k72 s LEU 155 CO 0.39 -4.01 0.63 -2.65 -0.55 0.00 0.00 176.35 170.15 3k72 n PRO 156 N -4.72 0.79 0.16 1.48 -0.02 -1.26 -4.31 135.00 127.12 3k72 n PRO 156 Ca 0.10 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 3k72 n PRO 156 Cb 0.59 -1.17 0.09 0.00 -0.02 0.00 0.00 33.50 32.99 3k72 n PRO 156 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3k72 h PHE 157 N 0.09 0.00 -1.69 6.00 -1.00 -1.87 -3.37 116.94 115.11 3k72 h PHE 157 Ca 0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 3k72 h PHE 157 Cb 0.17 0.00 -0.25 0.00 3.61 0.00 0.00 35.95 39.48 3k72 h PHE 157 CO 0.00 0.40 0.38 0.54 -1.61 0.00 0.00 178.31 178.02 3k72 s VAL 158 N -3.07 0.00 -0.23 -0.55 0.11 -1.26 -0.92 120.40 114.48 3k72 s VAL 158 Ca 0.04 0.00 -0.39 0.00 -2.93 0.00 0.00 61.98 58.70 3k72 s VAL 158 Cb 0.07 -1.00 -0.15 0.00 -1.53 0.00 0.00 36.38 33.77 3k72 s VAL 158 CO 0.72 0.00 1.76 -0.46 -3.33 0.00 0.00 175.10 173.79 3k72 n ASN 159 N 2.42 2.55 0.05 3.54 0.23 -1.26 -3.14 115.26 119.65 3k72 n ASN 159 Ca -0.13 1.06 -0.04 0.00 -0.53 0.00 0.00 54.58 54.94 3k72 n ASN 159 Cb 0.56 -1.18 -0.08 0.00 -2.08 0.00 0.00 39.78 36.99 3k72 n ASN 159 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3k72 h THR 160 N 5.20 1.05 -4.06 5.53 1.35 -1.94 -3.43 112.91 116.62 3k72 h THR 160 Ca -0.47 -2.67 -0.17 0.00 -0.55 0.00 0.00 66.41 62.55 3k72 h THR 160 Cb 1.31 2.47 -0.18 0.00 -1.73 0.00 0.00 68.15 70.02 3k72 h THR 160 CO 0.95 0.60 -0.70 -1.00 -0.25 0.00 0.00 175.52 175.13 3k72 s HIS 161 N -2.78 0.49 0.00 4.73 3.76 -1.26 -4.87 115.29 115.36 3k72 s HIS 161 Ca -0.01 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 3k72 s HIS 161 Cb 0.09 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.44 3k72 s HIS 161 CO 0.80 -0.24 0.00 -0.35 -0.85 0.00 0.00 174.74 174.10 3k72 n PRO 162 N 0.80 0.00 -0.07 8.40 -0.04 -1.26 -4.91 135.00 137.93 3k72 n PRO 162 Ca -0.19 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.38 3k72 n PRO 162 Cb 0.58 0.00 0.41 0.00 -0.04 0.00 0.00 33.50 34.45 3k72 n PRO 162 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3k72 n ASP 163 N 0.00 1.49 0.20 3.54 5.75 -1.26 0.14 116.55 126.42 3k72 n ASP 163 Ca 0.00 -1.66 0.15 0.00 -0.01 0.00 0.00 54.79 53.27 3k72 n ASP 163 Cb 0.00 -0.09 0.65 0.00 -1.03 0.00 0.00 41.12 40.65 3k72 n ASP 163 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3k72 h LYS 164 N 2.01 0.00 -0.38 0.11 3.64 -1.92 -1.42 116.57 118.62 3k72 h LYS 164 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3k72 h LYS 164 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3k72 h LYS 164 CO 0.00 0.00 -0.29 1.25 -2.27 0.00 0.00 179.45 178.14 3k72 h LEU 165 N 0.00 0.91 -1.27 5.20 5.85 -0.58 0.25 115.31 125.66 3k72 h LEU 165 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3k72 h LEU 165 Cb 0.32 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3k72 h LEU 165 CO 0.00 1.15 0.00 0.03 -0.34 0.00 0.00 178.44 179.28 3k72 h ARG 166 N 0.66 0.00 -1.25 1.25 3.08 -1.50 -3.38 114.38 113.24 3k72 h ARG 166 Ca 0.07 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.71 3k72 h ARG 166 Cb 0.86 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.63 3k72 h ARG 166 CO 0.08 0.00 -0.82 -1.71 -1.07 0.00 0.00 179.97 176.45 3k72 n ASN 167 N -3.05 -1.33 0.21 7.04 2.85 -0.60 -4.82 115.26 115.56 3k72 n ASN 167 Ca 0.01 -2.89 0.06 0.00 -0.11 0.00 0.00 54.58 51.65 3k72 n ASN 167 Cb 0.33 0.46 0.45 0.00 1.24 0.00 0.00 39.78 42.26 3k72 n ASN 167 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k72 h PRO 168 N 4.29 0.00 -6.11 1.20 0.11 -0.70 -3.41 132.00 127.37 3k72 h PRO 168 Ca 0.02 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.37 3k72 h PRO 168 Cb 0.96 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.08 3k72 h PRO 168 CO 0.36 0.30 0.93 0.00 -0.21 0.00 0.00 178.00 179.39 3k72 s PRO 170 N 3.80 3.39 0.00 0.00 0.02 -1.26 -3.91 135.00 137.03 3k72 s PRO 170 Ca 1.01 0.72 0.00 0.00 0.02 0.00 0.00 61.00 62.75 3k72 s PRO 170 Cb -1.13 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 29.29 3k72 s PRO 170 CO 0.67 -1.81 0.00 -1.71 -0.33 0.00 0.00 177.00 173.82 3k72 n ASN 171 N 9.45 0.00 0.01 2.53 5.15 -1.26 -4.52 115.26 126.62 3k72 n ASN 171 Ca 0.15 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.92 3k72 n ASN 171 Cb 0.49 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.60 3k72 n ASN 171 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3k72 h LYS 172 N 0.00 0.26 -6.27 1.20 1.57 -1.99 -3.48 116.57 107.85 3k72 h LYS 172 Ca 0.00 -0.44 -0.44 0.00 -1.87 0.00 0.00 60.65 57.90 3k72 h LYS 172 Cb 0.00 0.16 0.07 0.00 0.08 0.00 0.00 32.23 32.54 3k72 h LYS 172 CO 0.00 1.21 -0.93 0.39 -0.57 0.00 0.00 179.45 179.55 3k72 n GLU 173 N -3.88 -1.51 -1.03 3.15 1.02 -1.25 -4.83 120.64 112.31 3k72 n GLU 173 Ca -0.25 0.44 -0.18 0.00 -0.02 0.00 0.00 57.16 57.14 3k72 n GLU 173 Cb 0.92 -4.14 0.01 0.00 -0.02 0.00 0.00 31.44 28.21 3k72 n GLU 173 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3k72 n LYS 174 N -4.24 1.93 -3.34 3.49 2.85 -1.26 -4.76 118.16 112.82 3k72 n LYS 174 Ca -0.12 -1.69 -0.17 0.00 -1.05 0.00 0.00 58.31 55.28 3k72 n LYS 174 Cb 0.60 -1.74 0.08 0.00 -0.65 0.00 0.00 35.03 33.32 3k72 n LYS 174 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3k72 n GLU 175 N 0.60 -6.32 -2.20 -1.58 4.07 -1.26 -4.97 120.64 108.97 3k72 n GLU 175 Ca 0.34 0.76 -0.34 0.00 -0.06 0.00 0.00 57.16 57.86 3k72 n GLU 175 Cb 0.58 -5.54 0.00 0.00 -0.06 0.00 0.00 31.44 26.43 3k72 n GLU 175 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k72 s GLN 177 N -3.49 2.41 0.61 0.00 -2.07 -0.63 -4.89 119.66 111.61 3k72 s GLN 177 Ca 0.70 1.26 -0.19 0.00 -1.82 0.00 0.00 55.36 55.30 3k72 s GLN 177 Cb -0.21 -1.91 -0.03 0.00 -1.09 0.00 0.00 33.01 29.77 3k72 s GLN 177 CO 0.29 -1.53 1.29 -2.30 -1.32 0.00 0.00 175.29 171.72 3k72 n PRO 178 N -3.15 1.29 -1.66 9.60 -0.02 -1.26 -4.48 135.00 135.31 3k72 n PRO 178 Ca 0.10 0.49 -0.50 0.00 -2.02 0.00 0.00 63.50 61.57 3k72 n PRO 178 Cb 0.53 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3k72 n PRO 178 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3k72 n PRO 179 N -1.55 1.79 0.00 0.52 -0.02 -1.26 -4.93 135.00 129.54 3k72 n PRO 179 Ca 0.14 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3k72 n PRO 179 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3k72 n PRO 179 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k72 n PHE 180 N 4.54 0.00 0.00 6.00 1.16 -1.26 -4.93 117.46 122.97 3k72 n PHE 180 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.79 3k72 n PHE 180 Cb 0.24 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.11 3k72 n PHE 180 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3k72 n ALA 181 N -3.00 0.30 -3.26 1.98 0.00 -1.26 -2.94 120.51 112.32 3k72 n ALA 181 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3k72 n ALA 181 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3k72 n ALA 181 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k72 s PHE 182 N -1.00 -1.49 -0.28 0.00 5.36 -1.26 -2.68 117.98 116.63 3k72 s PHE 182 Ca 0.00 1.75 0.01 0.00 -0.96 0.00 0.00 56.93 57.73 3k72 s PHE 182 Cb 0.00 0.56 0.08 0.00 -0.34 0.00 0.00 43.02 43.32 3k72 s PHE 182 CO 0.00 -0.82 0.02 0.50 -1.46 0.00 0.00 175.22 173.45 3k72 s ARG 183 N 2.84 1.30 -0.87 10.12 3.52 -1.05 -2.75 118.95 132.06 3k72 s ARG 183 Ca 0.15 -1.20 -0.25 0.00 -0.13 0.00 0.00 55.73 54.30 3k72 s ARG 183 Cb -0.14 -2.55 -0.06 0.00 -1.56 0.00 0.00 34.95 30.63 3k72 s ARG 183 CO -0.20 -0.79 2.03 -1.58 -0.81 0.00 0.00 175.30 173.95 3k72 s HIS 184 N 1.36 1.68 0.00 5.12 5.65 -0.59 -2.75 115.29 125.76 3k72 s HIS 184 Ca 0.03 0.88 -0.20 0.00 0.25 0.00 0.00 55.06 56.02 3k72 s HIS 184 Cb -0.18 -3.94 -0.22 0.00 -1.18 0.00 0.00 32.58 27.06 3k72 s HIS 184 CO -0.12 -1.75 1.12 0.28 -0.65 0.00 0.00 174.74 173.62 3k72 h VAL 185 N 7.32 1.43 -3.76 0.89 2.07 -1.85 -3.46 116.25 118.89 3k72 h VAL 185 Ca 0.06 -2.00 -0.49 0.00 0.82 0.00 0.00 66.70 65.08 3k72 h VAL 185 Cb 1.01 2.54 -0.32 0.00 -1.52 0.00 0.00 31.29 33.01 3k72 h VAL 185 CO 1.17 0.58 -0.81 -0.76 0.02 0.00 0.00 177.57 177.77 3k72 s LEU 186 N -8.42 1.80 0.53 2.57 1.43 -1.19 -5.02 118.68 110.37 3k72 s LEU 186 Ca -0.13 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 3k72 s LEU 186 Cb 0.04 -0.76 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 3k72 s LEU 186 CO 0.81 0.09 0.81 -0.75 0.23 0.00 0.00 176.35 177.54 3k72 s LYS 187 N 0.24 3.07 -0.19 1.70 2.20 -1.26 -2.59 119.74 122.91 3k72 s LYS 187 Ca -0.06 -0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 3k72 s LYS 187 Cb -0.11 -2.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.78 3k72 s LYS 187 CO 0.02 -0.48 2.02 -0.51 -0.36 0.00 0.00 175.35 176.03 3k72 s LEU 188 N -4.82 3.70 0.18 5.43 1.43 -1.26 -4.52 118.68 118.83 3k72 s LEU 188 Ca 0.51 1.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.54 3k72 s LEU 188 Cb -0.10 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 3k72 s LEU 188 CO 0.43 -1.65 -0.02 0.42 0.23 0.00 0.00 176.35 175.76 3k72 s THR 189 N 6.91 0.88 -0.09 5.49 -4.23 -1.02 -4.86 115.64 118.72 3k72 s THR 189 Ca 0.91 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 59.14 3k72 s THR 189 Cb -0.32 -2.12 -0.25 0.00 1.34 0.00 0.00 72.50 71.14 3k72 s THR 189 CO 0.35 -0.49 0.90 0.78 -0.54 0.00 0.00 174.62 175.62 3k72 h ASN 190 N 2.65 0.11 -3.35 3.99 2.35 -1.89 -2.87 115.58 116.57 3k72 h ASN 190 Ca -0.37 -0.88 -0.54 0.00 -0.55 0.00 0.00 56.30 53.96 3k72 h ASN 190 Cb 1.21 -0.03 0.21 0.00 0.05 0.00 0.00 38.32 39.76 3k72 h ASN 190 CO 0.63 0.98 -0.58 -0.46 -1.65 0.00 0.00 177.43 176.35 3k72 n ASN 191 N -4.56 -2.08 0.00 5.81 0.23 -1.26 -4.88 115.26 108.52 3k72 n ASN 191 Ca -0.10 0.36 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 3k72 n ASN 191 Cb 0.50 -1.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.00 3k72 n ASN 191 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3k72 n SER 192 N -1.06 3.32 0.06 0.53 3.41 -1.26 -4.60 113.62 114.01 3k72 n SER 192 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.62 3k72 n SER 192 Cb 0.53 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.59 3k72 n SER 192 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3k72 h ASN 193 N 0.00 0.39 0.34 4.04 -1.07 -1.93 -2.44 115.58 114.90 3k72 h ASN 193 Ca 0.00 -0.21 -0.07 0.00 0.07 0.00 0.00 56.30 56.09 3k72 h ASN 193 Cb 0.90 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 37.03 3k72 h ASN 193 CO 0.00 0.88 -0.33 -0.61 0.07 0.00 0.00 177.43 177.44 3k72 h GLN 194 N 0.27 0.00 -0.16 4.14 5.75 -2.00 -2.67 115.11 120.43 3k72 h GLN 194 Ca 0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 3k72 h GLN 194 Cb 1.08 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.63 3k72 h GLN 194 CO 0.09 0.33 -0.24 0.35 -2.65 0.00 0.00 178.83 176.71 3k72 h PHE 195 N 0.00 0.55 -0.27 3.99 3.57 -1.73 -2.83 116.94 120.22 3k72 h PHE 195 Ca -0.00 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3k72 h PHE 195 Cb 0.58 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3k72 h PHE 195 CO 0.00 0.87 0.15 1.96 -2.23 0.00 0.00 178.31 179.05 3k72 h GLN 196 N 0.08 0.38 0.00 1.11 4.20 -1.27 -2.90 115.11 116.70 3k72 h GLN 196 Ca 0.02 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3k72 h GLN 196 Cb 0.81 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3k72 h GLN 196 CO 0.06 0.34 -0.33 1.79 -0.67 0.00 0.00 178.83 180.02 3k72 h THR 197 N 0.32 0.98 0.00 -0.54 1.35 -1.54 -2.04 112.91 111.44 3k72 h THR 197 Ca 0.10 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3k72 h THR 197 Cb 0.08 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3k72 h THR 197 CO -0.01 0.33 0.00 -0.62 -0.25 0.00 0.00 175.52 174.96 3k72 n GLU 198 N -3.77 0.02 -0.07 4.72 -0.58 -1.07 -3.63 120.64 116.26 3k72 n GLU 198 Ca -0.01 0.07 -0.06 0.00 -0.42 0.00 0.00 57.16 56.74 3k72 n GLU 198 Cb 0.42 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 3k72 n GLU 198 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3k72 n VAL 199 N -1.57 1.43 -0.44 2.62 0.31 -0.78 -4.20 118.33 115.69 3k72 n VAL 199 Ca 0.06 0.20 0.39 0.00 -0.01 0.00 0.00 64.34 64.98 3k72 n VAL 199 Cb 0.31 -2.37 0.72 0.00 -0.91 0.00 0.00 33.84 31.59 3k72 n VAL 199 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3k72 h GLY 200 N -1.00 0.38 -0.04 2.92 0.00 -1.59 -2.13 103.07 101.61 3k72 h GLY 200 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3k72 h GLY 200 CO -0.01 -0.09 -0.03 1.70 0.00 0.00 0.00 176.54 178.11 3k72 h LYS 201 N 0.07 -0.01 -6.88 4.80 3.64 -1.73 -3.41 116.57 113.05 3k72 h LYS 201 Ca 0.71 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.57 3k72 h LYS 201 Cb 2.61 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 34.49 3k72 h LYS 201 CO -0.11 -0.00 0.62 -0.65 -2.27 0.00 0.00 179.45 177.03 3k72 s GLN 202 N -3.13 4.33 0.52 1.90 -0.21 -0.80 -5.04 119.66 117.23 3k72 s GLN 202 Ca -0.01 2.18 0.07 0.00 0.02 0.00 0.00 55.36 57.63 3k72 s GLN 202 Cb 0.00 -3.04 0.04 0.00 1.00 0.00 0.00 33.01 31.02 3k72 s GLN 202 CO 0.03 -0.20 0.54 -0.51 -2.12 0.00 0.00 175.29 173.04 3k72 s LEU 203 N -1.85 3.02 0.00 2.90 1.43 -1.26 -5.03 118.68 117.89 3k72 s LEU 203 Ca 0.50 -0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 3k72 s LEU 203 Cb -0.39 -1.59 0.11 0.00 0.03 0.00 0.00 46.19 44.35 3k72 s LEU 203 CO 0.52 -1.08 0.34 2.30 0.23 0.00 0.00 176.35 178.66 3k72 n ILE 204 N -1.89 0.00 0.00 -0.59 -5.35 -1.26 -4.17 119.36 106.10 3k72 n ILE 204 Ca 0.06 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3k72 n ILE 204 Cb 0.63 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 3k72 n ILE 204 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3k72 n SER 205 N -3.68 0.00 0.00 7.28 2.88 -1.21 -1.60 113.62 117.29 3k72 n SER 205 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3k72 n SER 205 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 3k72 n SER 205 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k72 n GLY 206 N 0.00 2.52 3.48 0.46 0.00 -1.26 -4.05 105.19 106.34 3k72 n GLY 206 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 3k72 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k72 s ASN 207 N 0.00 0.98 0.00 1.61 2.20 -1.26 -4.77 114.94 113.70 3k72 s ASN 207 Ca 0.00 -1.51 0.00 0.00 -0.94 0.00 0.00 52.86 50.41 3k72 s ASN 207 Cb 0.00 0.66 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 3k72 s ASN 207 CO 0.00 -1.29 0.00 0.18 -2.94 0.00 0.00 177.10 173.05 3k72 n LEU 208 N -0.57 1.59 -4.50 3.54 4.77 -0.10 -4.95 117.00 116.79 3k72 n LEU 208 Ca 0.01 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 3k72 n LEU 208 Cb 0.62 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 3k72 n LEU 208 CO 0.30 -0.05 0.22 -0.90 -1.33 0.00 0.00 177.39 175.63 3k72 n ASP 209 N -1.04 -0.27 0.27 -1.43 5.75 -1.01 -4.92 116.55 113.90 3k72 n ASP 209 Ca 0.00 0.96 -0.11 0.00 -0.01 0.00 0.00 54.79 55.63 3k72 n ASP 209 Cb 0.00 -1.17 -0.05 0.00 -1.03 0.00 0.00 41.12 38.86 3k72 n ASP 209 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k72 h ALA 210 N 1.04 -0.78 -2.37 2.12 0.00 -1.92 -3.44 119.26 113.91 3k72 h ALA 210 Ca -0.41 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 53.82 3k72 h ALA 210 Cb 1.38 0.29 0.19 0.00 0.00 0.00 0.00 17.79 19.65 3k72 h ALA 210 CO 0.53 -0.72 0.27 -2.14 0.00 0.00 0.00 179.25 177.19 3k72 s PRO 211 N -4.00 1.32 0.56 0.00 0.02 -1.26 -4.46 135.00 127.18 3k72 s PRO 211 Ca -0.11 1.58 0.04 0.00 0.02 0.00 0.00 61.00 62.54 3k72 s PRO 211 Cb 0.01 -1.76 0.06 0.00 0.02 0.00 0.00 34.50 32.83 3k72 s PRO 211 CO 0.33 -2.42 0.77 -1.21 -0.33 0.00 0.00 177.00 174.14 3k72 s GLU 212 N -4.51 2.39 -0.50 5.54 0.41 -1.11 -4.78 118.70 116.15 3k72 s GLU 212 Ca 0.68 -1.15 0.03 0.00 -0.41 0.00 0.00 54.97 54.12 3k72 s GLU 212 Cb -0.24 -2.56 0.42 0.00 -1.78 0.00 0.00 34.13 29.97 3k72 s GLU 212 CO 0.55 -0.78 1.43 0.41 -0.49 0.00 0.00 175.26 176.38 3k72 n GLY 213 N -2.30 6.03 0.28 -1.39 0.00 -1.08 -0.34 105.19 106.40 3k72 n GLY 213 Ca 0.11 -2.62 0.18 0.00 0.00 0.00 0.00 46.02 43.69 3k72 n GLY 213 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k72 h GLY 214 N 2.44 0.00 1.30 -0.02 0.00 -1.85 -3.10 103.07 101.84 3k72 h GLY 214 Ca 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.67 3k72 h GLY 214 CO 1.03 0.00 0.01 1.41 0.00 0.00 0.00 176.54 178.99 3k72 h LEU 215 N 0.00 0.82 -1.32 3.11 3.38 -1.87 -2.33 115.31 117.10 3k72 h LEU 215 Ca 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3k72 h LEU 215 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3k72 h LEU 215 CO 0.00 0.88 0.24 -0.78 0.09 0.00 0.00 178.44 178.86 3k72 h ASP 216 N 0.79 0.63 -0.40 -0.43 1.82 -1.81 -2.09 116.42 114.93 3k72 h ASP 216 Ca 0.15 -0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.64 3k72 h ASP 216 Cb 0.46 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 3k72 h ASP 216 CO 0.02 0.54 -0.08 0.00 -1.61 0.00 0.00 179.24 178.11 3k72 h ALA 217 N 1.56 0.96 0.11 -0.78 0.00 -1.58 -3.04 119.26 116.49 3k72 h ALA 217 Ca 0.18 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3k72 h ALA 217 Cb 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3k72 h ALA 217 CO -0.02 0.62 -0.49 0.52 0.00 0.00 0.00 179.25 179.87 3k72 h MET 218 N 0.77 -0.69 0.36 0.00 2.86 -1.00 -1.93 114.93 115.29 3k72 h MET 218 Ca 0.13 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3k72 h MET 218 Cb 0.58 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3k72 h MET 218 CO 0.04 -0.46 -0.30 0.52 1.06 0.00 0.00 176.91 177.76 3k72 h MET 219 N -0.71 -0.65 -1.13 1.72 2.07 -1.59 -2.48 114.93 112.17 3k72 h MET 219 Ca 0.01 0.04 0.32 0.00 -2.07 0.00 0.00 59.70 58.00 3k72 h MET 219 Cb 0.73 0.15 -0.06 0.00 -1.87 0.00 0.00 31.60 30.55 3k72 h MET 219 CO -0.28 -0.43 0.80 1.96 1.07 0.00 0.00 176.91 180.03 3k72 h GLN 220 N -0.67 0.08 0.23 1.72 4.20 -1.40 -1.84 115.11 117.43 3k72 h GLN 220 Ca -0.03 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3k72 h GLN 220 Cb 0.59 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3k72 h GLN 220 CO -0.03 0.05 -0.11 0.28 -0.67 0.00 0.00 178.83 178.36 3k72 h VAL 221 N 0.08 0.00 -1.08 -0.54 2.07 -0.88 -3.32 116.25 112.57 3k72 h VAL 221 Ca 0.56 -0.12 -0.72 0.00 0.82 0.00 0.00 66.70 67.24 3k72 h VAL 221 Cb 2.07 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.72 3k72 h VAL 221 CO -0.07 0.00 2.35 0.00 0.02 0.00 0.00 177.57 179.87 3k72 n ALA 222 N -2.24 6.83 0.00 1.67 0.00 -0.74 -4.21 120.51 121.83 3k72 n ALA 222 Ca -0.04 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.43 3k72 n ALA 222 Cb 0.12 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.81 3k72 n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k72 n ALA 223 N 1.77 2.39 -3.14 0.00 0.00 -0.92 -4.89 120.51 115.72 3k72 n ALA 223 Ca 0.62 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.88 3k72 n ALA 223 Cb 0.27 0.33 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 3k72 n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k72 n PRO 225 N 2.71 0.27 0.00 0.00 -0.02 -1.26 -2.06 135.00 134.63 3k72 n PRO 225 Ca 0.24 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 3k72 n PRO 225 Cb 0.52 -1.18 0.32 0.00 -0.02 0.00 0.00 33.50 33.14 3k72 n PRO 225 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3k72 n GLU 226 N -0.68 0.09 0.00 -0.52 1.02 -1.26 -0.60 120.64 118.69 3k72 n GLU 226 Ca 0.02 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3k72 n GLU 226 Cb 0.01 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 3k72 n GLU 226 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3k72 n GLU 227 N -1.40 2.91 -0.05 3.49 1.02 -0.87 -4.86 120.64 120.87 3k72 n GLU 227 Ca 0.05 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.13 3k72 n GLU 227 Cb 0.14 -0.34 -0.07 0.00 -0.02 0.00 0.00 31.44 31.15 3k72 n GLU 227 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3k72 n ILE 228 N -0.37 0.66 -0.21 -3.67 5.41 -1.19 -5.04 119.36 114.94 3k72 n ILE 228 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.39 3k72 n ILE 228 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 3k72 n ILE 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k72 n GLY 229 N 2.55 -3.25 3.34 7.39 0.00 0.23 -4.52 105.19 110.92 3k72 n GLY 229 Ca -0.17 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 3k72 n GLY 229 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k72 s TRP 230 N -2.00 -0.44 0.63 1.61 0.52 -1.26 -4.73 118.94 113.26 3k72 s TRP 230 Ca 0.00 0.99 -0.17 0.00 0.02 0.00 0.00 56.10 56.94 3k72 s TRP 230 Cb 0.00 0.18 -0.02 0.00 -1.15 0.00 0.00 33.47 32.48 3k72 s TRP 230 CO 0.00 -0.31 1.15 0.50 0.02 0.00 0.00 176.95 178.31 3k72 s ARG 231 N -0.26 2.87 -0.09 4.98 6.06 -1.26 -4.93 118.95 126.31 3k72 s ARG 231 Ca -0.04 1.61 0.09 0.00 -2.50 0.00 0.00 55.73 54.89 3k72 s ARG 231 Cb -0.03 -1.94 0.43 0.00 0.06 0.00 0.00 34.95 33.46 3k72 s ARG 231 CO 0.02 -1.24 1.22 -1.71 -2.50 0.00 0.00 175.30 171.09 3k72 n ASN 232 N -1.99 3.21 0.00 -2.12 5.15 -1.26 -4.62 115.26 113.63 3k72 n ASN 232 Ca 0.12 -2.37 0.00 0.00 -0.60 0.00 0.00 54.58 51.73 3k72 n ASN 232 Cb 0.51 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3k72 n ASN 232 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3k72 n VAL 233 N 0.44 0.00 -4.15 3.44 0.31 -1.26 -5.09 118.33 112.02 3k72 n VAL 233 Ca 0.15 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.21 3k72 n VAL 233 Cb 0.65 -0.12 -0.07 0.00 -0.91 0.00 0.00 33.84 33.40 3k72 n VAL 233 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3k72 s THR 234 N 0.00 4.08 -0.33 2.52 2.01 -1.12 -4.97 115.64 117.83 3k72 s THR 234 Ca 0.00 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.76 3k72 s THR 234 Cb 0.00 -3.07 0.16 0.00 0.01 0.00 0.00 72.50 69.60 3k72 s THR 234 CO 0.00 -0.11 0.42 -0.13 -0.69 0.00 0.00 174.62 174.11 3k72 s ARG 235 N -3.03 0.52 -0.14 4.92 0.52 -1.25 -3.82 118.95 116.67 3k72 s ARG 235 Ca 0.29 -0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 55.23 3k72 s ARG 235 Cb -0.10 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.94 3k72 s ARG 235 CO 0.21 -1.10 0.02 -0.51 0.02 0.00 0.00 175.30 173.94 3k72 s LEU 236 N 2.12 3.64 0.39 2.53 1.02 -0.52 -2.81 118.68 125.06 3k72 s LEU 236 Ca 0.12 0.08 0.08 0.00 0.02 0.00 0.00 54.13 54.43 3k72 s LEU 236 Cb -0.12 -1.88 -0.05 0.00 0.02 0.00 0.00 46.19 44.16 3k72 s LEU 236 CO -0.20 0.26 0.18 -0.76 0.02 0.00 0.00 176.35 175.85 3k72 s LEU 237 N -0.16 3.16 -0.18 1.79 1.02 -1.05 -1.65 118.68 121.61 3k72 s LEU 237 Ca 0.06 -0.99 -0.04 0.00 0.02 0.00 0.00 54.13 53.18 3k72 s LEU 237 Cb -0.12 -1.54 0.09 0.00 0.02 0.00 0.00 46.19 44.64 3k72 s LEU 237 CO 0.02 -0.49 0.28 0.54 0.02 0.00 0.00 176.35 176.72 3k72 s VAL 238 N -2.55 -0.44 0.18 -1.59 0.11 -1.02 -0.70 120.40 114.39 3k72 s VAL 238 Ca 0.41 0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.24 3k72 s VAL 238 Cb 0.02 -0.62 -0.08 0.00 -1.53 0.00 0.00 36.38 34.17 3k72 s VAL 238 CO 0.23 -0.05 0.88 0.12 -3.33 0.00 0.00 175.10 172.95 3k72 s PHE 239 N 2.42 3.91 -0.12 1.54 5.36 -1.12 -2.24 117.98 127.73 3k72 s PHE 239 Ca 0.06 1.78 -0.04 0.00 -0.96 0.00 0.00 56.93 57.76 3k72 s PHE 239 Cb -0.14 -2.92 0.06 0.00 -0.34 0.00 0.00 43.02 39.68 3k72 s PHE 239 CO -0.12 0.41 0.21 0.00 -1.46 0.00 0.00 175.22 174.26 3k72 s ALA 240 N -0.85 -0.31 -0.29 11.12 0.00 -0.75 -2.23 121.76 128.45 3k72 s ALA 240 Ca 0.40 0.62 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 3k72 s ALA 240 Cb -0.24 -0.98 0.15 0.00 0.00 0.00 0.00 23.12 22.05 3k72 s ALA 240 CO 0.29 -0.71 1.12 -0.08 0.00 0.00 0.00 175.76 176.38 3k72 s THR 241 N 2.34 0.00 -0.54 0.00 -1.32 -1.26 -1.59 115.64 113.27 3k72 s THR 241 Ca 0.03 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.49 3k72 s THR 241 Cb -0.13 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.14 3k72 s THR 241 CO -0.08 0.00 2.19 -0.90 -2.21 0.00 0.00 174.62 173.62 3k72 n ASP 242 N 2.45 7.03 -3.70 8.08 5.68 -1.26 -4.15 116.55 130.68 3k72 n ASP 242 Ca -0.14 -3.45 -0.09 0.00 -0.50 0.00 0.00 54.79 50.62 3k72 n ASP 242 Cb 0.56 -1.07 -0.03 0.00 -1.14 0.00 0.00 41.12 39.44 3k72 n ASP 242 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3k72 s ASP 243 N -0.61 -0.02 0.00 -1.12 1.01 -1.26 -5.00 116.67 109.67 3k72 s ASP 243 Ca 0.51 -0.92 0.00 0.00 0.71 0.00 0.00 52.55 52.85 3k72 s ASP 243 Cb 0.39 0.69 0.00 0.00 1.01 0.00 0.00 42.92 45.00 3k72 s ASP 243 CO -0.12 -1.32 0.00 0.61 0.21 0.00 0.00 175.17 174.55 3k72 n GLY 244 N -0.45 -0.97 3.63 0.21 0.00 -1.26 -4.72 105.19 101.63 3k72 n GLY 244 Ca -0.03 -1.34 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 3k72 n GLY 244 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k72 s PHE 245 N 0.00 -1.01 -0.09 1.61 -0.71 -1.24 -2.75 117.98 113.79 3k72 s PHE 245 Ca 0.00 1.94 -0.11 0.00 -1.04 0.00 0.00 56.93 57.72 3k72 s PHE 245 Cb 0.00 0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 42.36 3k72 s PHE 245 CO 0.00 -0.50 0.26 -1.01 -1.34 0.00 0.00 175.22 172.64 3k72 s HIS 246 N 1.84 3.61 0.51 3.49 3.76 0.54 -4.86 115.29 124.18 3k72 s HIS 246 Ca -0.09 0.70 0.01 0.00 -0.15 0.00 0.00 55.06 55.53 3k72 s HIS 246 Cb -0.06 -2.15 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 3k72 s HIS 246 CO -0.19 0.59 0.01 -0.59 -0.85 0.00 0.00 174.74 173.72 3k72 s PHE 247 N -0.71 1.78 0.68 1.40 -0.12 -1.26 -4.37 117.98 115.39 3k72 s PHE 247 Ca 0.18 -1.02 -0.17 0.00 -0.05 0.00 0.00 56.93 55.87 3k72 s PHE 247 Cb -0.14 -1.55 -0.08 0.00 -0.63 0.00 0.00 43.02 40.62 3k72 s PHE 247 CO 0.07 0.16 0.26 0.00 -0.05 0.00 0.00 175.22 175.66 3k72 n ALA 248 N -1.27 -2.18 0.00 1.99 0.00 -1.16 -2.68 120.51 115.21 3k72 n ALA 248 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3k72 n ALA 248 Cb 0.67 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3k72 n ALA 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k72 n GLY 249 N 2.03 2.95 0.24 0.00 0.00 -1.26 -4.82 105.19 104.33 3k72 n GLY 249 Ca 0.09 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3k72 n GLY 249 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k72 h ASP 250 N 0.00 0.00 0.36 1.61 5.19 -1.91 -3.02 116.42 118.64 3k72 h ASP 250 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3k72 h ASP 250 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3k72 h ASP 250 CO 0.00 0.15 -0.15 1.23 -3.12 0.00 0.00 179.24 177.35 3k72 h GLY 251 N 2.29 0.00 1.88 2.75 0.00 -1.83 -1.95 103.07 106.21 3k72 h GLY 251 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k72 h GLY 251 CO 0.02 0.00 0.06 1.70 0.00 0.00 0.00 176.54 178.32 3k72 h LYS 252 N 0.00 0.00 -0.48 4.80 3.64 -1.56 0.22 116.57 123.18 3k72 h LYS 252 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 3k72 h LYS 252 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3k72 h LYS 252 CO 0.02 0.00 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.91 3k72 h LEU 253 N 0.00 1.03 -2.61 5.20 3.38 -1.58 -3.00 115.31 117.73 3k72 h LEU 253 Ca 0.00 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.44 3k72 h LEU 253 Cb 0.12 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 40.50 3k72 h LEU 253 CO -0.00 1.20 0.17 0.61 0.09 0.00 0.00 178.44 180.52 3k72 n GLY 254 N -0.10 2.74 3.02 0.83 0.00 0.05 -4.64 105.19 107.09 3k72 n GLY 254 Ca -0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 3k72 n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 n ALA 255 N -0.02 -0.97 -3.89 4.61 0.00 -1.14 -4.98 120.51 114.11 3k72 n ALA 255 Ca 0.21 0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.65 3k72 n ALA 255 Cb 0.90 -3.90 -0.16 0.00 0.00 0.00 0.00 19.45 16.28 3k72 n ALA 255 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3k72 s ILE 256 N -3.18 1.26 -0.23 0.00 -4.36 -1.10 -4.98 121.20 108.60 3k72 s ILE 256 Ca 0.30 -0.99 0.12 0.00 -0.26 0.00 0.00 60.65 59.83 3k72 s ILE 256 Cb -0.13 -1.56 0.47 0.00 1.25 0.00 0.00 42.46 42.49 3k72 s ILE 256 CO 0.38 -0.08 1.38 0.18 0.24 0.00 0.00 174.94 177.03 3k72 n LEU 257 N 4.78 3.65 -4.48 0.37 4.32 -1.26 -3.50 117.00 120.88 3k72 n LEU 257 Ca -0.11 -3.51 -0.43 0.00 -0.02 0.00 0.00 56.01 51.94 3k72 n LEU 257 Cb 0.45 -0.57 -0.08 0.00 -1.62 0.00 0.00 43.42 41.60 3k72 n LEU 257 CO 0.17 1.05 0.14 0.42 -1.22 0.00 0.00 177.39 177.96 3k72 s THR 258 N -3.09 5.06 1.40 -5.08 -4.23 -1.26 -5.03 115.64 103.40 3k72 s THR 258 Ca 0.41 -0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 60.33 3k72 s THR 258 Cb 0.37 -4.08 0.36 0.00 1.34 0.00 0.00 72.50 70.49 3k72 s THR 258 CO 0.02 -0.48 0.95 -2.16 -0.54 0.00 0.00 174.62 172.40 3k72 s PRO 259 N 2.20 -2.77 -0.04 3.99 0.04 -1.26 -0.67 135.00 136.49 3k72 s PRO 259 Ca 0.13 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.99 3k72 s PRO 259 Cb -0.17 -1.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.95 3k72 s PRO 259 CO 0.13 -4.77 1.00 1.21 0.04 0.00 0.00 177.00 174.61 3k72 s ASN 260 N -3.21 7.31 -0.08 6.66 3.84 -1.26 -4.23 114.94 123.97 3k72 s ASN 260 Ca 0.69 1.62 -0.23 0.00 0.21 0.00 0.00 52.86 55.16 3k72 s ASN 260 Cb -0.13 -2.56 -0.30 0.00 -0.55 0.00 0.00 41.25 37.71 3k72 s ASN 260 CO 0.58 -0.34 0.81 -2.24 -2.79 0.00 0.00 177.10 173.12 3k72 h ASP 261 N 6.92 0.35 0.00 -4.21 2.03 -1.92 -3.49 116.42 116.11 3k72 h ASP 261 Ca -0.37 -0.94 0.00 0.00 -0.73 0.00 0.00 57.03 54.99 3k72 h ASP 261 Cb 1.19 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 3k72 h ASP 261 CO 0.79 1.35 0.00 0.61 -1.03 0.00 0.00 179.24 180.96 3k72 n GLY 262 N 1.66 2.06 3.63 7.15 0.00 -1.26 -5.10 105.19 113.33 3k72 n GLY 262 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3k72 n GLY 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k72 s ARG 263 N 0.00 2.86 0.20 1.61 0.52 -1.26 -4.68 118.95 118.19 3k72 s ARG 263 Ca 0.00 -0.49 -0.16 0.00 -0.52 0.00 0.00 55.73 54.56 3k72 s ARG 263 Cb 0.00 -2.69 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 3k72 s ARG 263 CO 0.00 0.68 0.63 0.00 0.02 0.00 0.00 175.30 176.63 3k72 s HIS 265 N -1.56 1.59 0.20 0.00 0.09 -1.26 -4.74 115.29 109.60 3k72 s HIS 265 Ca 0.42 -2.50 0.06 0.00 -0.00 0.00 0.00 55.06 53.03 3k72 s HIS 265 Cb -0.15 -1.29 -0.04 0.00 -0.00 0.00 0.00 32.58 31.10 3k72 s HIS 265 CO 0.20 -0.77 0.15 -0.48 -0.00 0.00 0.00 174.74 173.84 3k72 s LEU 266 N -0.19 3.80 0.00 0.89 0.05 -1.26 -4.53 118.68 117.43 3k72 s LEU 266 Ca 0.30 -0.18 0.00 0.00 0.05 0.00 0.00 54.13 54.30 3k72 s LEU 266 Cb 0.00 -2.38 0.00 0.00 -2.05 0.00 0.00 46.19 41.77 3k72 s LEU 266 CO -0.18 0.03 0.00 1.21 -0.55 0.00 0.00 176.35 176.86 3k72 n GLU 267 N -0.65 1.42 -2.76 1.48 0.00 -1.26 -4.82 120.64 114.05 3k72 n GLU 267 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 56.97 3k72 n GLU 267 Cb 0.56 -0.88 0.03 0.00 0.00 0.00 0.00 31.44 31.14 3k72 n GLU 267 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3k72 n ASP 268 N -1.32 0.91 -2.73 4.31 5.75 -1.26 -4.94 116.55 117.27 3k72 n ASP 268 Ca 0.00 -2.76 -0.11 0.00 -0.01 0.00 0.00 54.79 51.91 3k72 n ASP 268 Cb 0.00 -0.33 -0.01 0.00 -1.03 0.00 0.00 41.12 39.75 3k72 n ASP 268 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3k72 n ASN 269 N -0.04 -2.59 -3.68 -1.12 3.02 -1.26 -4.89 115.26 104.70 3k72 n ASN 269 Ca 0.11 0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.71 3k72 n ASN 269 Cb 0.79 -2.25 -0.10 0.00 -0.61 0.00 0.00 39.78 37.61 3k72 n ASN 269 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3k72 s LEU 270 N -5.60 -0.34 0.34 3.41 0.20 -1.26 -1.54 118.68 113.90 3k72 s LEU 270 Ca 0.11 1.00 -0.29 0.00 0.69 0.00 0.00 54.13 55.64 3k72 s LEU 270 Cb -0.06 1.48 -0.12 0.00 -0.43 0.00 0.00 46.19 47.06 3k72 s LEU 270 CO 0.14 -0.21 1.40 0.00 -0.29 0.00 0.00 176.35 177.39 3k72 n TYR 271 N 4.55 2.57 -2.50 5.38 0.18 -1.11 -4.21 117.16 122.02 3k72 n TYR 271 Ca -0.19 0.47 0.02 0.00 1.88 0.00 0.00 57.90 60.07 3k72 n TYR 271 Cb 0.54 -2.48 0.02 0.00 -0.38 0.00 0.00 39.34 37.04 3k72 n TYR 271 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3k72 n LYS 272 N 0.88 0.34 0.00 -3.48 5.02 -1.26 -4.85 118.16 114.80 3k72 n LYS 272 Ca 0.05 -2.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 3k72 n LYS 272 Cb 0.36 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 3k72 n LYS 272 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3k72 n ARG 273 N 0.17 2.88 0.28 1.97 5.12 -1.26 -4.75 116.66 121.07 3k72 n ARG 273 Ca 0.01 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.10 3k72 n ARG 273 Cb 1.02 -0.93 0.83 0.00 -1.16 0.00 0.00 32.46 32.22 3k72 n ARG 273 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3k72 h SER 274 N 0.00 0.00 0.01 0.55 4.64 -1.89 -0.48 113.55 116.38 3k72 h SER 274 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3k72 h SER 274 Cb 0.68 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3k72 h SER 274 CO 0.00 0.00 -0.63 0.78 -0.87 0.00 0.00 176.83 176.11 3k72 h ASN 275 N 0.00 0.53 -0.89 4.97 2.35 -1.97 -3.28 115.58 117.29 3k72 h ASN 275 Ca 0.04 -0.78 -0.48 0.00 -0.55 0.00 0.00 56.30 54.54 3k72 h ASN 275 Cb 0.69 -0.16 -0.18 0.00 0.05 0.00 0.00 38.32 38.71 3k72 h ASN 275 CO -0.00 1.24 0.52 -0.62 -1.65 0.00 0.00 177.43 176.93 3k72 n GLU 276 N -4.20 2.23 -3.64 0.81 4.71 -0.20 -4.88 120.64 115.46 3k72 n GLU 276 Ca -0.11 -2.26 -0.09 0.00 -0.01 0.00 0.00 57.16 54.70 3k72 n GLU 276 Cb 0.69 -1.96 -0.07 0.00 -1.01 0.00 0.00 31.44 29.09 3k72 n GLU 276 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3k72 s PHE 277 N -2.24 -0.53 0.43 -0.32 2.19 -1.13 -4.94 117.98 111.45 3k72 s PHE 277 Ca 0.48 1.25 0.00 0.00 0.33 0.00 0.00 56.93 58.99 3k72 s PHE 277 Cb 0.35 0.36 -0.01 0.00 -1.31 0.00 0.00 43.02 42.41 3k72 s PHE 277 CO -0.12 -0.26 0.65 0.34 1.83 0.00 0.00 175.22 177.66 3k72 s ASP 278 N 0.41 5.95 0.43 6.13 2.15 0.16 -4.80 116.67 127.09 3k72 s ASP 278 Ca 0.01 0.34 -0.25 0.00 0.43 0.00 0.00 52.55 53.09 3k72 s ASP 278 Cb -0.05 -1.66 -0.08 0.00 -0.30 0.00 0.00 42.92 40.83 3k72 s ASP 278 CO -0.07 -0.61 1.27 -0.31 -0.17 0.00 0.00 175.17 175.27 3k72 s TYR 279 N -2.51 2.80 0.15 -5.34 2.02 -1.26 -4.13 117.35 109.08 3k72 s TYR 279 Ca 0.47 1.45 -0.31 0.00 -0.37 0.00 0.00 57.07 58.30 3k72 s TYR 279 Cb -0.10 -3.60 -0.10 0.00 -0.40 0.00 0.00 41.96 37.76 3k72 s TYR 279 CO 0.38 -1.97 1.74 -2.14 -1.57 0.00 0.00 175.55 171.99 3k72 s PRO 280 N -2.39 4.15 0.94 -1.71 0.02 -1.26 -3.66 135.00 131.09 3k72 s PRO 280 Ca 0.60 2.54 -0.11 0.00 0.02 0.00 0.00 61.00 64.05 3k72 s PRO 280 Cb -0.36 -3.39 0.14 0.00 0.02 0.00 0.00 34.50 30.92 3k72 s PRO 280 CO 0.45 -0.77 1.03 -1.13 -0.33 0.00 0.00 177.00 176.24 3k72 n SER 281 N 4.96 -0.16 -0.33 2.53 3.41 -1.26 -3.01 113.62 119.76 3k72 n SER 281 Ca 0.16 0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 59.13 3k72 n SER 281 Cb 0.38 -1.42 0.12 0.00 -0.26 0.00 0.00 64.21 63.03 3k72 n SER 281 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3k72 h VAL 282 N -1.91 1.15 -0.14 -3.33 3.04 -1.93 -2.20 116.25 110.92 3k72 h VAL 282 Ca -0.44 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 3k72 h VAL 282 Cb 1.28 -0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 3k72 h VAL 282 CO 0.41 0.21 0.00 0.61 -1.01 0.00 0.00 177.57 177.78 3k72 n GLY 283 N -1.35 0.16 0.24 3.17 0.00 -1.26 -3.95 105.19 102.20 3k72 n GLY 283 Ca 0.12 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.85 3k72 n GLY 283 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k72 n GLN 284 N 0.21 1.32 -0.07 1.61 7.27 -0.83 -3.80 117.38 123.09 3k72 n GLN 284 Ca 0.16 -0.47 -0.13 0.00 0.07 0.00 0.00 57.00 56.62 3k72 n GLN 284 Cb 0.31 -1.37 -0.04 0.00 2.41 0.00 0.00 30.24 31.54 3k72 n GLN 284 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3k72 n LEU 285 N -0.34 1.51 0.30 1.69 4.77 -1.25 -3.52 117.00 120.16 3k72 n LEU 285 Ca 0.16 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.48 3k72 n LEU 285 Cb 0.19 -0.59 0.43 0.00 -2.33 0.00 0.00 43.42 41.12 3k72 n LEU 285 CO 0.13 -0.01 1.01 0.00 -1.33 0.00 0.00 177.39 177.19 3k72 h ALA 286 N -0.69 1.53 -0.27 -1.18 0.00 -1.79 0.44 119.26 117.30 3k72 h ALA 286 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3k72 h ALA 286 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3k72 h ALA 286 CO -0.15 -0.53 0.00 1.58 0.00 0.00 0.00 179.25 180.15 3k72 n HIS 287 N -2.55 0.00 0.03 0.00 -0.00 -1.25 -3.85 115.22 107.60 3k72 n HIS 287 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.61 3k72 n HIS 287 Cb 0.59 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.99 30.40 3k72 n HIS 287 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 3k72 h LYS 288 N 0.00 -0.15 0.09 1.57 1.63 -1.47 -0.52 116.57 117.71 3k72 h LYS 288 Ca 0.00 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3k72 h LYS 288 Cb 0.00 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.62 3k72 h LYS 288 CO 0.00 -0.10 -0.40 1.25 -3.45 0.00 0.00 179.45 176.74 3k72 h LEU 289 N -0.16 -1.20 -0.23 5.20 5.85 -0.36 -1.80 115.31 122.61 3k72 h LEU 289 Ca 0.06 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3k72 h LEU 289 Cb 0.24 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3k72 h LEU 289 CO -0.15 -0.47 0.00 0.00 -0.34 0.00 0.00 178.44 177.49 3k72 n ALA 290 N -2.83 1.54 0.09 1.25 0.00 -1.11 -1.86 120.51 117.59 3k72 n ALA 290 Ca -0.07 -0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 3k72 n ALA 290 Cb 0.37 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 3k72 n ALA 290 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k72 h GLU 291 N 0.00 0.20 -0.64 0.00 4.81 -0.23 -3.19 114.58 115.53 3k72 h GLU 291 Ca 0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3k72 h GLU 291 Cb 0.23 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3k72 h GLU 291 CO 0.00 1.16 0.00 0.09 -0.73 0.00 0.00 179.01 179.53 3k72 n ASN 292 N -3.48 3.81 -3.71 1.04 3.02 -0.78 -4.92 115.26 110.24 3k72 n ASN 292 Ca -0.07 -2.42 -0.25 0.00 -0.03 0.00 0.00 54.58 51.81 3k72 n ASN 292 Cb 1.00 -0.53 0.06 0.00 -0.61 0.00 0.00 39.78 39.70 3k72 n ASN 292 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k72 n ASN 293 N 0.67 -4.79 -4.46 6.41 5.03 -1.16 -4.93 115.26 112.03 3k72 n ASN 293 Ca 0.19 -0.67 -0.32 0.00 0.87 0.00 0.00 54.58 54.65 3k72 n ASN 293 Cb 0.75 -4.51 -0.13 0.00 -1.02 0.00 0.00 39.78 34.87 3k72 n ASN 293 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3k72 s ILE 294 N -3.36 2.90 -0.24 2.41 1.01 -1.03 -3.91 121.20 118.99 3k72 s ILE 294 Ca 0.49 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3k72 s ILE 294 Cb -0.23 -2.15 0.11 0.00 0.01 0.00 0.00 42.46 40.19 3k72 s ILE 294 CO 0.78 0.51 0.22 -1.10 0.00 0.00 0.00 174.94 175.35 3k72 s GLN 295 N -0.94 0.22 0.90 2.79 -1.52 -1.12 -4.22 119.66 115.77 3k72 s GLN 295 Ca 0.12 -0.04 -0.10 0.00 -1.95 0.00 0.00 55.36 53.39 3k72 s GLN 295 Cb -0.11 -1.07 0.14 0.00 -0.22 0.00 0.00 33.01 31.76 3k72 s GLN 295 CO 0.02 -0.83 1.15 -2.14 -0.25 0.00 0.00 175.29 173.24 3k72 s PRO 296 N 2.29 1.09 -0.33 2.91 0.02 -1.26 -2.53 135.00 137.20 3k72 s PRO 296 Ca 0.08 1.57 0.01 0.00 0.02 0.00 0.00 61.00 62.68 3k72 s PRO 296 Cb -0.15 -1.73 0.10 0.00 0.02 0.00 0.00 34.50 32.74 3k72 s PRO 296 CO -0.22 -2.58 0.09 0.42 -0.33 0.00 0.00 177.00 174.37 3k72 s ILE 297 N -2.59 1.31 0.10 2.83 1.01 0.12 -4.41 121.20 119.57 3k72 s ILE 297 Ca 0.67 -1.74 -0.33 0.00 0.00 0.00 0.00 60.65 59.26 3k72 s ILE 297 Cb -0.23 -1.98 -0.12 0.00 0.01 0.00 0.00 42.46 40.13 3k72 s ILE 297 CO 0.57 -0.67 1.76 0.49 0.00 0.00 0.00 174.94 177.09 3k72 n PHE 298 N 4.61 2.47 -3.31 3.97 3.72 -0.53 -2.80 117.46 125.59 3k72 n PHE 298 Ca 0.00 0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 3k72 n PHE 298 Cb 0.42 -2.66 -0.06 0.00 -0.94 0.00 0.00 39.48 36.24 3k72 n PHE 298 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k72 s ALA 299 N 2.32 -1.11 0.00 4.37 0.00 -0.95 -1.24 121.76 125.15 3k72 s ALA 299 Ca 0.83 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3k72 s ALA 299 Cb -0.59 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.39 3k72 s ALA 299 CO 0.40 -1.91 0.00 1.33 0.00 0.00 0.00 175.76 175.58 3k72 n VAL 300 N 4.95 0.00 -0.85 0.00 0.24 -1.03 -4.05 118.33 117.59 3k72 n VAL 300 Ca 0.04 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.05 3k72 n VAL 300 Cb 0.49 0.00 0.18 0.00 -1.47 0.00 0.00 33.84 33.04 3k72 n VAL 300 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3k72 s THR 301 N -1.87 2.32 -0.44 3.34 -4.23 -1.26 -2.58 115.64 110.93 3k72 s THR 301 Ca 0.00 0.11 0.25 0.00 -1.18 0.00 0.00 61.69 60.86 3k72 s THR 301 Cb 0.00 -2.32 0.26 0.00 1.34 0.00 0.00 72.50 71.79 3k72 s THR 301 CO 0.00 -0.14 1.74 0.77 -0.54 0.00 0.00 174.62 176.45 3k72 h SER 302 N -1.95 0.00 0.94 3.99 4.64 -1.93 -2.14 113.55 117.10 3k72 h SER 302 Ca -0.51 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.72 3k72 h SER 302 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3k72 h SER 302 CO 0.49 0.00 -0.44 -0.09 -0.87 0.00 0.00 176.83 175.92 3k72 h ARG 303 N 0.00 0.00 -0.10 4.77 2.43 -1.94 -3.21 114.38 116.33 3k72 h ARG 303 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3k72 h ARG 303 Cb 0.40 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3k72 h ARG 303 CO 0.00 0.44 -0.17 -1.33 -1.51 0.00 0.00 179.97 177.40 3k72 n MET 304 N -3.49 1.72 0.08 0.20 2.81 -0.85 -4.75 117.12 112.83 3k72 n MET 304 Ca 0.00 -2.96 -0.22 0.00 -1.81 0.00 0.00 57.70 52.70 3k72 n MET 304 Cb 0.58 -1.65 -0.15 0.00 -0.71 0.00 0.00 33.22 31.29 3k72 n MET 304 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3k72 h VAL 305 N 0.76 1.25 -0.01 2.03 3.04 -1.45 -3.25 116.25 118.62 3k72 h VAL 305 Ca 0.04 -2.56 0.00 0.00 -1.01 0.00 0.00 66.70 63.17 3k72 h VAL 305 Cb 1.19 2.99 0.00 0.00 -2.01 0.00 0.00 31.29 33.45 3k72 h VAL 305 CO 0.10 0.77 -0.09 0.29 -1.01 0.00 0.00 177.57 177.63 3k72 n LYS 306 N -3.87 1.34 0.02 4.17 5.02 -1.26 -2.00 118.16 121.57 3k72 n LYS 306 Ca -0.19 -0.77 -0.17 0.00 -2.02 0.00 0.00 58.31 55.17 3k72 n LYS 306 Cb 0.97 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 34.36 3k72 n LYS 306 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k72 h THR 307 N 1.88 0.87 0.00 -0.18 1.03 -1.89 -3.23 112.91 111.39 3k72 h THR 307 Ca 0.00 -2.59 0.00 0.00 -0.01 0.00 0.00 66.41 63.81 3k72 h THR 307 Cb 0.49 2.58 0.00 0.00 -1.07 0.00 0.00 68.15 70.16 3k72 h THR 307 CO 0.00 0.77 0.00 -1.22 -0.01 0.00 0.00 175.52 175.06 3k72 n TYR 308 N -3.37 0.84 -0.11 0.00 4.01 -1.22 -3.37 117.16 113.94 3k72 n TYR 308 Ca -0.23 0.25 -0.12 0.00 -0.16 0.00 0.00 57.90 57.64 3k72 n TYR 308 Cb 1.05 -0.90 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 3k72 n TYR 308 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3k72 h GLU 309 N 0.00 0.63 0.00 -0.72 4.57 -1.45 -1.46 114.58 116.15 3k72 h GLU 309 Ca 0.00 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 57.89 3k72 h GLU 309 Cb 0.71 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3k72 h GLU 309 CO 0.00 0.82 -0.20 0.87 -1.18 0.00 0.00 179.01 179.31 3k72 h LYS 310 N 0.41 0.00 0.00 1.92 1.79 -1.59 -2.22 116.57 116.88 3k72 h LYS 310 Ca 0.08 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 3k72 h LYS 310 Cb 0.59 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3k72 h LYS 310 CO 0.03 0.20 -0.30 1.25 -1.08 0.00 0.00 179.45 179.56 3k72 h LEU 311 N 0.00 0.00 -0.82 2.94 5.85 -1.47 -3.11 115.31 118.69 3k72 h LEU 311 Ca -0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3k72 h LEU 311 Cb 0.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3k72 h LEU 311 CO 0.03 0.30 -0.40 0.74 -0.34 0.00 0.00 178.44 178.76 3k72 h THR 312 N 0.00 1.31 0.03 1.05 2.02 -0.63 -3.00 112.91 113.68 3k72 h THR 312 Ca -0.00 -1.54 0.02 0.00 0.77 0.00 0.00 66.41 65.65 3k72 h THR 312 Cb 1.02 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 3k72 h THR 312 CO 0.04 0.47 -0.12 -0.33 0.37 0.00 0.00 175.52 175.96 3k72 h GLU 313 N 0.32 -0.20 0.00 6.66 4.39 -1.53 -3.36 114.58 120.86 3k72 h GLU 313 Ca 0.03 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3k72 h GLU 313 Cb 0.85 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3k72 h GLU 313 CO 0.07 -0.14 0.00 -0.89 -1.16 0.00 0.00 179.01 176.89 3k72 n ILE 314 N -5.24 0.00 -2.00 3.13 2.08 -1.20 -4.80 119.36 111.32 3k72 n ILE 314 Ca -0.06 0.66 -0.39 0.00 0.56 0.00 0.00 62.75 63.52 3k72 n ILE 314 Cb 0.16 -1.40 0.00 0.00 -0.75 0.00 0.00 39.64 37.66 3k72 n ILE 314 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3k72 s ILE 315 N -0.59 2.51 0.79 1.39 2.07 -1.14 -5.00 121.20 121.24 3k72 s ILE 315 Ca 0.00 0.45 -0.12 0.00 -1.41 0.00 0.00 60.65 59.57 3k72 s ILE 315 Cb 0.00 -3.26 0.07 0.00 0.13 0.00 0.00 42.46 39.40 3k72 s ILE 315 CO 0.00 0.06 1.14 -2.84 -1.91 0.00 0.00 174.94 171.39 3k72 s PRO 316 N -2.36 2.12 -0.59 3.50 0.02 -1.26 -4.56 135.00 131.86 3k72 s PRO 316 Ca 0.59 0.27 -0.24 0.00 0.02 0.00 0.00 61.00 61.64 3k72 s PRO 316 Cb -0.39 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.22 3k72 s PRO 316 CO 0.49 -1.52 0.64 1.63 -0.33 0.00 0.00 177.00 177.91 3k72 n LYS 317 N -3.30 -1.78 -3.65 5.54 5.02 -1.26 -4.96 118.16 113.77 3k72 n LYS 317 Ca 0.07 1.15 -0.08 0.00 -2.02 0.00 0.00 58.31 57.44 3k72 n LYS 317 Cb 0.59 -2.07 -0.08 0.00 -0.02 0.00 0.00 35.03 33.46 3k72 n LYS 317 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3k72 s SER 318 N -2.04 -0.85 0.21 4.39 1.04 -1.26 -4.51 113.70 110.67 3k72 s SER 318 Ca 0.24 1.38 0.08 0.00 0.48 0.00 0.00 55.95 58.13 3k72 s SER 318 Cb -0.02 1.28 -0.04 0.00 0.10 0.00 0.00 66.02 67.34 3k72 s SER 318 CO 0.88 -0.23 0.00 0.00 0.98 0.00 0.00 173.24 174.88 3k72 s ALA 319 N 1.64 3.19 -0.13 5.32 0.00 -1.26 -4.88 121.76 125.63 3k72 s ALA 319 Ca -0.10 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.35 3k72 s ALA 319 Cb -0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3k72 s ALA 319 CO -0.18 0.39 -0.02 0.14 0.00 0.00 0.00 175.76 176.09 3k72 s VAL 320 N -1.97 4.10 -0.30 0.00 -7.23 -1.26 -1.45 120.40 112.30 3k72 s VAL 320 Ca 0.29 -0.30 -0.02 0.00 -1.81 0.00 0.00 61.98 60.14 3k72 s VAL 320 Cb -0.08 -2.77 0.10 0.00 0.56 0.00 0.00 36.38 34.19 3k72 s VAL 320 CO 0.19 0.53 0.10 -0.83 -0.31 0.00 0.00 175.10 174.78 3k72 s GLY 321 N -0.08 0.91 -0.11 2.32 0.00 -0.38 -4.99 107.32 104.99 3k72 s GLY 321 Ca 0.03 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 42.97 3k72 s GLY 321 CO 0.02 1.72 1.05 1.85 0.00 0.00 0.00 173.10 177.75 3k72 s GLU 322 N 1.75 4.38 0.19 2.90 -6.30 -1.26 -2.47 118.70 117.89 3k72 s GLU 322 Ca 0.09 1.44 -0.01 0.00 -2.50 0.00 0.00 54.97 54.00 3k72 s GLU 322 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 34.13 30.36 3k72 s GLU 322 CO -0.28 -0.39 0.11 -0.48 0.02 0.00 0.00 175.26 174.24 3k72 s LEU 323 N 2.25 1.38 0.78 2.70 0.05 -1.06 -4.97 118.68 119.81 3k72 s LEU 323 Ca 0.49 -1.35 -0.11 0.00 0.05 0.00 0.00 54.13 53.21 3k72 s LEU 323 Cb -0.19 0.30 0.06 0.00 -2.05 0.00 0.00 46.19 44.31 3k72 s LEU 323 CO 0.17 -0.79 1.09 -0.44 -0.55 0.00 0.00 176.35 175.82 3k72 s SER 324 N -3.16 4.56 0.00 1.48 0.01 -1.26 -4.12 113.70 111.21 3k72 s SER 324 Ca 0.35 1.47 0.07 0.00 1.31 0.00 0.00 55.95 59.16 3k72 s SER 324 Cb 0.07 -2.23 0.43 0.00 0.21 0.00 0.00 66.02 64.50 3k72 s SER 324 CO 0.10 -1.95 1.01 1.21 0.41 0.00 0.00 173.24 174.02 3k72 n GLU 325 N -3.44 0.68 0.00 12.44 4.07 -1.26 -2.70 120.64 130.43 3k72 n GLU 325 Ca 0.07 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.25 3k72 n GLU 325 Cb 0.55 -1.17 -0.04 0.00 -0.06 0.00 0.00 31.44 30.73 3k72 n GLU 325 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3k72 n ASP 326 N -0.67 1.27 -3.28 4.31 5.75 -1.26 -4.54 116.55 118.14 3k72 n ASP 326 Ca 0.05 -1.14 -0.24 0.00 -0.01 0.00 0.00 54.79 53.46 3k72 n ASP 326 Cb 0.02 0.69 0.03 0.00 -1.03 0.00 0.00 41.12 40.83 3k72 n ASP 326 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k72 n SER 327 N -0.63 -5.29 0.06 -1.12 7.64 -1.10 -4.39 113.62 108.79 3k72 n SER 327 Ca 0.05 -0.40 -0.22 0.00 1.01 0.00 0.00 58.87 59.31 3k72 n SER 327 Cb 0.30 -4.28 -0.15 0.00 -1.01 0.00 0.00 64.21 59.08 3k72 n SER 327 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3k72 h SER 328 N -1.47 0.57 -0.86 6.43 4.64 -1.85 -3.35 113.55 117.66 3k72 h SER 328 Ca -0.51 -0.93 -0.46 0.00 -0.47 0.00 0.00 61.79 59.41 3k72 h SER 328 Cb 1.34 -0.18 -0.18 0.00 -0.31 0.00 0.00 62.40 63.07 3k72 h SER 328 CO 0.57 1.80 0.50 -0.46 -0.87 0.00 0.00 176.83 178.37 3k72 n ASN 329 N -3.56 6.69 0.05 4.97 0.23 -1.26 -4.45 115.26 117.93 3k72 n ASN 329 Ca -0.26 -3.26 -0.04 0.00 -0.53 0.00 0.00 54.58 50.49 3k72 n ASN 329 Cb 1.07 -1.12 -0.09 0.00 -2.08 0.00 0.00 39.78 37.57 3k72 n ASN 329 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3k72 h VAL 330 N 1.45 1.05 0.00 3.53 3.04 -1.97 -3.31 116.25 120.04 3k72 h VAL 330 Ca 0.39 -2.68 -0.03 0.00 -1.01 0.00 0.00 66.70 63.36 3k72 h VAL 330 Cb 0.77 2.47 -0.00 0.00 -2.01 0.00 0.00 31.29 32.52 3k72 h VAL 330 CO 0.95 0.60 -0.16 0.58 -1.01 0.00 0.00 177.57 178.53 3k72 h VAL 331 N 0.00 0.31 0.00 1.51 2.07 -1.90 -2.75 116.25 115.48 3k72 h VAL 331 Ca -0.11 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3k72 h VAL 331 Cb 1.71 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 3k72 h VAL 331 CO 0.09 0.16 0.00 1.67 0.02 0.00 0.00 177.57 179.51 3k72 n GLN 332 N -3.17 0.04 -0.32 1.57 7.27 -1.24 -3.12 117.38 118.40 3k72 n GLN 332 Ca 0.02 0.08 -0.04 0.00 0.07 0.00 0.00 57.00 57.14 3k72 n GLN 332 Cb 0.54 -1.50 0.08 0.00 2.41 0.00 0.00 30.24 31.77 3k72 n GLN 332 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3k72 h LEU 333 N 0.00 1.08 0.00 1.69 3.38 -1.63 -2.77 115.31 117.06 3k72 h LEU 333 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3k72 h LEU 333 Cb 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3k72 h LEU 333 CO 0.00 0.86 -0.24 0.40 0.09 0.00 0.00 178.44 179.54 3k72 h ILE 334 N 1.21 0.00 0.00 1.22 2.04 -1.73 0.18 117.51 120.43 3k72 h ILE 334 Ca 0.31 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3k72 h ILE 334 Cb 0.01 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3k72 h ILE 334 CO -0.05 0.00 -0.14 0.50 0.00 0.00 0.00 178.15 178.46 3k72 h LYS 335 N 0.00 0.00 -0.01 2.37 1.63 -1.63 -2.08 116.57 116.86 3k72 h LYS 335 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3k72 h LYS 335 Cb 1.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 3k72 h LYS 335 CO 0.00 0.14 -0.68 0.09 -3.45 0.00 0.00 179.45 175.55 3k72 n ASN 336 N -3.36 1.45 0.00 4.20 3.02 -0.75 -3.95 115.26 115.86 3k72 n ASN 336 Ca -0.00 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3k72 n ASN 336 Cb 0.34 0.66 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 3k72 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k72 n ALA 337 N -0.76 -0.09 0.18 5.41 0.00 0.55 -3.69 120.51 122.11 3k72 n ALA 337 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.69 3k72 n ALA 337 Cb 0.40 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.61 3k72 n ALA 337 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3k72 h TYR 338 N 0.00 0.00 -0.33 0.00 -1.99 -1.77 0.52 116.97 113.40 3k72 h TYR 338 Ca 0.00 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.80 3k72 h TYR 338 Cb 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 38.65 3k72 h TYR 338 CO 0.04 0.00 -0.20 -0.97 -0.00 0.00 0.00 178.16 177.03 3k72 h ASN 339 N 0.00 -0.66 0.00 3.88 -0.73 -1.68 -3.07 115.58 113.31 3k72 h ASN 339 Ca 0.13 0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.43 3k72 h ASN 339 Cb 0.96 0.34 -0.02 0.00 0.27 0.00 0.00 38.32 39.88 3k72 h ASN 339 CO -0.00 -0.23 -0.31 0.29 -0.37 0.00 0.00 177.43 176.81 3k72 n LYS 340 N -5.36 0.59 -0.07 6.67 4.76 -0.74 -4.54 118.16 119.46 3k72 n LYS 340 Ca 0.01 -1.78 -0.06 0.00 -2.87 0.00 0.00 58.31 53.61 3k72 n LYS 340 Cb 0.28 -0.94 -0.13 0.00 -1.84 0.00 0.00 35.03 32.40 3k72 n LYS 340 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3k72 n LEU 341 N -0.63 0.00 -0.88 -0.35 7.94 0.18 -3.78 117.00 119.48 3k72 n LEU 341 Ca 0.08 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.03 3k72 n LEU 341 Cb 0.69 0.35 0.18 0.00 0.53 0.00 0.00 43.42 45.17 3k72 n LEU 341 CO 0.00 0.35 0.61 -1.20 -1.11 0.00 0.00 177.39 176.04 3k72 n SER 342 N -2.54 2.51 -0.07 1.96 7.64 -1.16 -4.05 113.62 117.91 3k72 n SER 342 Ca -0.23 -2.17 -0.09 0.00 1.01 0.00 0.00 58.87 57.38 3k72 n SER 342 Cb 0.96 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 3k72 n SER 342 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3k72 n SER 343 N 0.49 2.61 -4.57 6.43 7.64 -1.25 -4.26 113.62 120.71 3k72 n SER 343 Ca 0.13 -0.06 -0.36 0.00 1.01 0.00 0.00 58.87 59.59 3k72 n SER 343 Cb 0.47 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 3k72 n SER 343 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3k72 s ARG 344 N -2.30 3.26 -0.24 1.43 0.52 -1.25 -4.24 118.95 116.13 3k72 s ARG 344 Ca -0.16 -1.24 -0.29 0.00 -0.52 0.00 0.00 55.73 53.52 3k72 s ARG 344 Cb 0.05 -5.33 0.00 0.00 0.52 0.00 0.00 34.95 30.19 3k72 s ARG 344 CO 0.39 -2.86 1.19 0.08 0.02 0.00 0.00 175.30 174.12 3k72 s VAL 345 N 7.14 4.36 0.18 3.52 1.01 -1.26 -4.91 120.40 130.45 3k72 s VAL 345 Ca 0.58 1.61 0.06 0.00 0.00 0.00 0.00 61.98 64.23 3k72 s VAL 345 Cb -0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3k72 s VAL 345 CO 0.03 -0.30 0.10 -0.36 0.00 0.00 0.00 175.10 174.56 3k72 s PHE 346 N 3.71 3.03 -0.39 5.22 0.40 -1.26 -3.73 117.98 124.96 3k72 s PHE 346 Ca 0.51 -0.07 0.11 0.00 -0.60 0.00 0.00 56.93 56.88 3k72 s PHE 346 Cb -0.17 -1.44 0.40 0.00 0.51 0.00 0.00 43.02 42.31 3k72 s PHE 346 CO 0.15 0.52 1.19 -0.11 0.70 0.00 0.00 175.22 177.68 3k72 n LEU 347 N -0.42 -0.99 0.00 -0.37 7.94 -1.26 -4.07 117.00 117.83 3k72 n LEU 347 Ca -0.09 -3.65 0.00 0.00 -1.11 0.00 0.00 56.01 51.17 3k72 n LEU 347 Cb 0.55 0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.79 3k72 n LEU 347 CO 0.42 1.86 0.00 0.47 -1.11 0.00 0.00 177.39 179.03 3k72 n ASP 348 N -0.29 0.00 -3.74 1.96 8.00 -1.04 -4.52 116.55 116.92 3k72 n ASP 348 Ca 0.03 -0.81 -0.10 0.00 0.71 0.00 0.00 54.79 54.62 3k72 n ASP 348 Cb 0.81 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.86 3k72 n ASP 348 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 3k72 s HIS 349 N -0.21 -0.04 0.46 1.24 -3.43 -1.26 -2.16 115.29 109.89 3k72 s HIS 349 Ca 0.00 -0.30 -0.24 0.00 -0.80 0.00 0.00 55.06 53.72 3k72 s HIS 349 Cb 0.00 0.22 -0.08 0.00 -1.43 0.00 0.00 32.58 31.29 3k72 s HIS 349 CO 0.00 -0.76 1.29 0.09 -2.00 0.00 0.00 174.74 173.36 3k72 n ASN 350 N -0.24 2.55 -4.50 7.38 4.13 -0.93 -4.76 115.26 118.88 3k72 n ASN 350 Ca -0.13 1.06 -0.42 0.00 1.68 0.00 0.00 54.58 56.78 3k72 n ASN 350 Cb 0.63 -1.52 -0.08 0.00 -1.54 0.00 0.00 39.78 37.27 3k72 n ASN 350 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k72 n ALA 351 N -0.49 0.71 -1.69 5.41 0.00 -1.26 -4.87 120.51 118.31 3k72 n ALA 351 Ca 0.08 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 3k72 n ALA 351 Cb 0.41 -2.72 0.01 0.00 0.00 0.00 0.00 19.45 17.16 3k72 n ALA 351 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3k72 s LEU 352 N 9.79 3.47 0.75 0.00 0.05 -1.26 -5.03 118.68 126.45 3k72 s LEU 352 Ca 1.14 1.74 -0.15 0.00 0.05 0.00 0.00 54.13 56.91 3k72 s LEU 352 Cb -0.73 -4.52 0.05 0.00 -2.05 0.00 0.00 46.19 38.95 3k72 s LEU 352 CO 0.40 -1.09 1.22 -2.16 -0.55 0.00 0.00 176.35 174.17 3k72 s PRO 353 N -4.22 1.96 0.65 1.48 0.04 -1.26 -4.88 135.00 128.77 3k72 s PRO 353 Ca 0.62 1.79 0.43 0.00 0.04 0.00 0.00 61.00 63.88 3k72 s PRO 353 Cb -0.15 -1.81 2.32 0.00 0.04 0.00 0.00 34.50 34.90 3k72 s PRO 353 CO 0.39 -1.98 2.34 0.38 0.04 0.00 0.00 177.00 178.17 3k72 h ASP 354 N -0.47 0.00 0.00 6.66 3.04 -2.04 -2.00 116.42 121.61 3k72 h ASP 354 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 3k72 h ASP 354 Cb 1.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 3k72 h ASP 354 CO 0.49 0.00 0.00 0.35 -2.04 0.00 0.00 179.24 178.04 3k72 n THR 355 N -3.17 0.00 -4.03 1.15 -2.24 -1.26 -4.74 114.28 99.98 3k72 n THR 355 Ca -0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3k72 n THR 355 Cb 0.09 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 3k72 n THR 355 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k72 s LEU 356 N -1.06 2.34 -0.06 3.22 1.43 -0.75 -3.81 118.68 119.98 3k72 s LEU 356 Ca 0.02 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 3k72 s LEU 356 Cb 0.01 0.19 0.04 0.00 0.03 0.00 0.00 46.19 46.46 3k72 s LEU 356 CO 0.02 -0.47 0.11 -0.54 0.23 0.00 0.00 176.35 175.70 3k72 s LYS 357 N -2.80 0.02 0.05 1.70 -0.14 -1.03 -4.86 119.74 112.67 3k72 s LYS 357 Ca -0.03 0.38 0.08 0.00 -1.36 0.00 0.00 55.97 55.04 3k72 s LYS 357 Cb -0.00 -0.27 -0.03 0.00 -1.68 0.00 0.00 37.83 35.85 3k72 s LYS 357 CO -0.06 -0.23 -0.22 0.08 -0.76 0.00 0.00 175.35 174.16 3k72 s VAL 358 N 1.59 2.52 0.29 3.17 1.01 -1.26 -2.53 120.40 125.19 3k72 s VAL 358 Ca -0.04 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.67 3k72 s VAL 358 Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3k72 s VAL 358 CO -0.05 0.32 0.21 0.42 0.00 0.00 0.00 175.10 176.01 3k72 s THR 359 N -0.90 0.06 0.27 3.92 -4.23 -1.10 -4.85 115.64 108.80 3k72 s THR 359 Ca 0.14 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 3k72 s THR 359 Cb -0.10 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 3k72 s THR 359 CO 0.04 0.00 0.29 -0.31 -0.54 0.00 0.00 174.62 174.10 3k72 s TYR 360 N -3.69 1.15 0.36 3.99 1.51 -1.10 -2.38 117.35 117.18 3k72 s TYR 360 Ca 0.39 -1.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.16 3k72 s TYR 360 Cb 0.04 -0.38 -0.05 0.00 -0.11 0.00 0.00 41.96 41.46 3k72 s TYR 360 CO 0.21 -0.85 0.08 -0.51 -1.11 0.00 0.00 175.55 173.37 3k72 s ASP 361 N -3.20 2.57 -0.11 2.29 1.11 -0.85 -0.95 116.67 117.54 3k72 s ASP 361 Ca 0.35 -1.49 -0.05 0.00 0.18 0.00 0.00 52.55 51.54 3k72 s ASP 361 Cb 0.03 0.14 0.05 0.00 1.07 0.00 0.00 42.92 44.21 3k72 s ASP 361 CO 0.17 -0.73 0.25 -0.44 1.18 0.00 0.00 175.17 175.60 3k72 s SER 362 N -3.54 -0.25 -0.52 0.27 0.01 -1.23 -3.75 113.70 104.69 3k72 s SER 362 Ca 0.31 0.54 0.06 0.00 1.31 0.00 0.00 55.95 58.17 3k72 s SER 362 Cb 0.06 0.43 0.22 0.00 0.21 0.00 0.00 66.02 66.94 3k72 s SER 362 CO 0.14 -0.17 0.56 0.49 0.41 0.00 0.00 173.24 174.68 3k72 n PHE 363 N 4.27 1.42 -0.65 2.43 3.01 -0.98 -0.88 117.46 126.08 3k72 n PHE 363 Ca -0.25 -3.83 -0.31 0.00 1.01 0.00 0.00 57.45 54.07 3k72 n PHE 363 Cb 0.53 -0.36 0.18 0.00 -0.01 0.00 0.00 39.48 39.82 3k72 n PHE 363 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k72 h SER 365 N -2.04 0.75 -1.95 0.00 4.64 -1.86 -3.38 113.55 109.71 3k72 h SER 365 Ca -0.48 -0.61 -0.76 0.00 -0.47 0.00 0.00 61.79 59.47 3k72 h SER 365 Cb 1.29 -0.22 -0.19 0.00 -0.31 0.00 0.00 62.40 62.98 3k72 h SER 365 CO 0.41 1.23 1.57 -0.46 -0.87 0.00 0.00 176.83 178.71 3k72 n ASN 366 N -4.15 5.38 0.00 4.97 0.23 -1.26 -4.75 115.26 115.69 3k72 n ASN 366 Ca -0.07 -3.13 0.00 0.00 -0.53 0.00 0.00 54.58 50.85 3k72 n ASN 366 Cb 0.62 -1.45 0.00 0.00 -2.08 0.00 0.00 39.78 36.87 3k72 n ASN 366 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k72 n GLY 367 N 2.80 2.31 3.72 4.83 0.00 -1.26 -5.00 105.19 112.59 3k72 n GLY 367 Ca 0.36 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3k72 n GLY 367 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k72 s VAL 368 N -0.84 2.16 -0.61 1.61 1.01 -1.26 -4.94 120.40 117.52 3k72 s VAL 368 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.15 3k72 s VAL 368 Cb 0.00 -3.07 0.26 0.00 0.00 0.00 0.00 36.38 33.57 3k72 s VAL 368 CO 0.00 0.01 0.75 0.41 0.00 0.00 0.00 175.10 176.27 3k72 n THR 369 N 3.99 2.19 -1.73 3.92 -1.04 -1.26 -3.07 114.28 117.28 3k72 n THR 369 Ca 0.15 -5.16 -0.30 0.00 -2.04 0.00 0.00 64.05 56.70 3k72 n THR 369 Cb 0.36 -2.01 0.05 0.00 -1.82 0.00 0.00 70.33 66.91 3k72 n THR 369 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3k72 s HIS 370 N -2.48 3.22 -0.23 -1.42 3.76 -0.06 -5.02 115.29 113.06 3k72 s HIS 370 Ca 0.40 1.20 -0.13 0.00 -0.15 0.00 0.00 55.06 56.38 3k72 s HIS 370 Cb 0.17 -2.97 0.07 0.00 1.11 0.00 0.00 32.58 30.95 3k72 s HIS 370 CO -0.03 -1.24 0.56 1.03 -0.85 0.00 0.00 174.74 174.20 3k72 s ARG 371 N -5.21 0.56 -0.23 1.40 0.52 -1.26 -3.51 118.95 111.22 3k72 s ARG 371 Ca 0.58 1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 56.81 3k72 s ARG 371 Cb -0.12 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.42 3k72 s ARG 371 CO 0.53 -0.15 0.01 0.09 0.02 0.00 0.00 175.30 175.80 3k72 n ASN 372 N 4.31 -6.23 0.00 0.23 3.02 -1.06 -4.95 115.26 110.57 3k72 n ASN 372 Ca -0.21 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 3k72 n ASN 372 Cb 0.57 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 3k72 n ASN 372 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k72 n GLN 373 N 0.59 0.00 -0.14 3.52 6.02 -0.12 -4.95 117.38 122.29 3k72 n GLN 373 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.78 3k72 n GLN 373 Cb 0.03 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.48 3k72 n GLN 373 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3k72 n PRO 374 N -0.05 -3.81 0.00 -1.09 -0.04 -1.26 -2.72 135.00 126.03 3k72 n PRO 374 Ca 0.00 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 3k72 n PRO 374 Cb 0.00 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3k72 n PRO 374 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3k72 n ARG 375 N -4.38 0.00 -2.25 0.54 1.74 -1.26 -4.72 116.66 106.33 3k72 n ARG 375 Ca 0.09 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.15 3k72 n ARG 375 Cb 0.37 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.87 3k72 n ARG 375 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k72 n GLY 376 N 0.00 1.53 3.54 -0.13 0.00 -1.26 -4.63 105.19 104.25 3k72 n GLY 376 Ca 0.00 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 3k72 n GLY 376 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k72 n ASP 377 N -0.66 2.09 -3.72 1.61 2.03 -1.24 -4.50 116.55 112.15 3k72 n ASP 377 Ca -0.08 -0.43 -0.30 0.00 0.52 0.00 0.00 54.79 54.50 3k72 n ASP 377 Cb 0.87 -1.51 -0.13 0.00 -0.72 0.00 0.00 41.12 39.62 3k72 n ASP 377 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k72 n ASP 379 N 3.54 5.87 -2.06 0.00 2.03 -1.26 -3.82 116.55 120.84 3k72 n ASP 379 Ca 0.08 -2.78 -0.01 0.00 0.52 0.00 0.00 54.79 52.60 3k72 n ASP 379 Cb 0.34 -1.22 0.04 0.00 -0.72 0.00 0.00 41.12 39.56 3k72 n ASP 379 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k72 n GLY 380 N 1.34 1.38 3.13 0.27 0.00 -1.26 -4.99 105.19 105.05 3k72 n GLY 380 Ca 0.31 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3k72 n GLY 380 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k72 s VAL 381 N -1.04 -0.00 0.00 1.61 -7.23 -1.25 -4.34 120.40 108.15 3k72 s VAL 381 Ca 0.18 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 3k72 s VAL 381 Cb 0.30 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.89 3k72 s VAL 381 CO -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.71 3k72 n GLN 382 N 2.98 0.00 0.00 4.82 10.64 -1.26 -3.80 117.38 130.76 3k72 n GLN 382 Ca -0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.04 3k72 n GLN 382 Cb 0.58 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 3k72 n GLN 382 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 3k72 n ILE 383 N -0.76 0.00 -3.01 -0.39 5.41 -1.26 -4.79 119.36 114.56 3k72 n ILE 383 Ca 0.00 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.50 3k72 n ILE 383 Cb 0.00 -0.62 -0.04 0.00 -0.71 0.00 0.00 39.64 38.27 3k72 n ILE 383 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3k72 n ASN 384 N -0.82 3.73 -3.64 4.38 2.85 -1.25 -3.04 115.26 117.48 3k72 n ASN 384 Ca 0.00 -3.54 -0.28 0.00 -0.11 0.00 0.00 54.58 50.65 3k72 n ASN 384 Cb 0.00 -0.58 -0.16 0.00 1.24 0.00 0.00 39.78 40.28 3k72 n ASN 384 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3k72 s VAL 385 N -3.97 0.23 1.08 3.44 1.01 -1.26 -5.03 120.40 115.89 3k72 s VAL 385 Ca 0.47 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 3k72 s VAL 385 Cb 0.29 -1.02 0.08 0.00 0.00 0.00 0.00 36.38 35.73 3k72 s VAL 385 CO -0.12 -0.49 0.07 -2.65 0.00 0.00 0.00 175.10 171.91 3k72 n PRO 386 N 5.14 -1.24 -4.12 2.72 -0.02 -1.26 -4.76 135.00 131.46 3k72 n PRO 386 Ca -0.06 -0.34 -0.20 0.00 -2.02 0.00 0.00 63.50 60.88 3k72 n PRO 386 Cb 0.45 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 3k72 n PRO 386 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3k72 n ILE 387 N -4.19 0.00 -3.63 4.25 -5.35 -0.67 -4.77 119.36 105.00 3k72 n ILE 387 Ca 0.02 -2.24 -0.18 0.00 -0.27 0.00 0.00 62.75 60.08 3k72 n ILE 387 Cb 0.60 1.02 -0.15 0.00 -1.74 0.00 0.00 39.64 39.37 3k72 n ILE 387 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3k72 s THR 388 N -3.17 -0.25 -0.16 7.28 2.01 -1.26 -3.79 115.64 116.30 3k72 s THR 388 Ca 0.31 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.54 3k72 s THR 388 Cb 0.02 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.14 3k72 s THR 388 CO 0.22 0.04 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.62 3k72 s PHE 389 N 2.28 2.74 -0.58 4.92 0.40 -1.18 -2.31 117.98 124.25 3k72 s PHE 389 Ca 0.04 -1.49 -0.18 0.00 -0.60 0.00 0.00 56.93 54.70 3k72 s PHE 389 Cb -0.13 -1.88 0.12 0.00 0.51 0.00 0.00 43.02 41.64 3k72 s PHE 389 CO -0.07 -0.71 0.62 -1.14 0.70 0.00 0.00 175.22 174.62 3k72 s GLN 390 N 1.08 3.04 -0.22 0.44 0.74 -1.25 -1.54 119.66 121.95 3k72 s GLN 390 Ca -0.00 -1.52 -0.27 0.00 0.05 0.00 0.00 55.36 53.61 3k72 s GLN 390 Cb -0.14 -4.29 0.00 0.00 1.10 0.00 0.00 33.01 29.68 3k72 s GLN 390 CO -0.08 -1.45 0.96 0.08 -0.55 0.00 0.00 175.29 174.25 3k72 s VAL 391 N 2.17 4.75 -0.32 1.34 1.01 -1.00 -2.00 120.40 126.34 3k72 s VAL 391 Ca 0.08 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.93 3k72 s VAL 391 Cb -0.26 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 31.96 3k72 s VAL 391 CO 0.04 -0.12 0.03 -0.54 0.00 0.00 0.00 175.10 174.51 3k72 s LYS 392 N 2.92 2.09 -0.24 2.72 1.02 -1.00 -2.18 119.74 125.07 3k72 s LYS 392 Ca 0.41 -1.53 -0.10 0.00 0.02 0.00 0.00 55.97 54.77 3k72 s LYS 392 Cb -0.15 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 3k72 s LYS 392 CO 0.08 -0.77 0.15 0.08 -0.92 0.00 0.00 175.35 173.96 3k72 s VAL 393 N 1.12 5.30 0.11 3.17 1.01 -0.89 -2.72 120.40 127.50 3k72 s VAL 393 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.22 3k72 s VAL 393 Cb -0.20 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3k72 s VAL 393 CO -0.04 0.35 -0.19 -0.89 0.00 0.00 0.00 175.10 174.33 3k72 s THR 394 N 1.01 1.65 0.35 3.92 2.01 -1.05 -2.19 115.64 121.35 3k72 s THR 394 Ca 0.07 -1.62 0.09 0.00 0.31 0.00 0.00 61.69 60.55 3k72 s THR 394 Cb -0.13 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.75 3k72 s THR 394 CO 0.04 -0.16 -0.03 0.00 -0.69 0.00 0.00 174.62 173.78 3k72 s ALA 395 N -1.44 3.11 -0.18 7.40 0.00 -1.26 -2.47 121.76 126.91 3k72 s ALA 395 Ca 0.08 -2.04 0.07 0.00 0.00 0.00 0.00 51.96 50.07 3k72 s ALA 395 Cb -0.09 -0.21 -0.16 0.00 0.00 0.00 0.00 23.12 22.67 3k72 s ALA 395 CO 0.04 0.06 -0.07 0.25 0.00 0.00 0.00 175.76 176.04 3k72 n THR 396 N -0.90 1.12 -4.42 0.00 -2.24 -1.25 -1.80 114.28 104.79 3k72 n THR 396 Ca -0.04 -0.54 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 3k72 n THR 396 Cb 0.63 -0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 3k72 n THR 396 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3k72 s GLU 397 N -2.39 1.85 -1.03 -0.78 -1.05 -1.26 -4.66 118.70 109.37 3k72 s GLU 397 Ca -0.18 -2.11 -0.23 0.00 -0.15 0.00 0.00 54.97 52.30 3k72 s GLU 397 Cb 0.06 -0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.50 3k72 s GLU 397 CO 0.55 -0.55 1.83 0.00 0.95 0.00 0.00 175.26 178.04 3k72 n ILE 399 N 7.53 0.00 -3.75 0.00 -5.35 -1.26 -5.01 119.36 111.53 3k72 n ILE 399 Ca 0.41 -0.28 -0.34 0.00 -0.27 0.00 0.00 62.75 62.26 3k72 n ILE 399 Cb 0.48 -0.70 -0.05 0.00 -1.74 0.00 0.00 39.64 37.62 3k72 n ILE 399 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3k72 s GLN 400 N -3.73 3.59 -0.08 6.28 2.00 -1.26 -4.55 119.66 121.92 3k72 s GLN 400 Ca 0.59 -0.08 -0.36 0.00 -2.00 0.00 0.00 55.36 53.52 3k72 s GLN 400 Cb -0.17 -3.05 -0.13 0.00 0.80 0.00 0.00 33.01 30.46 3k72 s GLN 400 CO 0.66 0.62 1.76 -1.91 -0.50 0.00 0.00 175.29 175.92 3k72 n GLU 401 N 0.95 1.87 -2.12 1.67 2.13 -1.26 -4.79 120.64 119.09 3k72 n GLU 401 Ca -0.10 0.68 -0.03 0.00 0.66 0.00 0.00 57.16 58.37 3k72 n GLU 401 Cb 0.53 -2.46 -0.01 0.00 0.27 0.00 0.00 31.44 29.76 3k72 n GLU 401 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3k72 n GLN 402 N 5.52 0.15 -3.69 5.31 6.02 -1.14 -5.05 117.38 124.50 3k72 n GLN 402 Ca 0.22 -0.63 -0.13 0.00 -0.01 0.00 0.00 57.00 56.45 3k72 n GLN 402 Cb 0.25 0.60 -0.09 0.00 1.02 0.00 0.00 30.24 32.02 3k72 n GLN 402 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3k72 s SER 403 N -1.48 -0.56 0.09 1.08 1.04 -1.26 -1.89 113.70 110.72 3k72 s SER 403 Ca 0.07 1.06 0.01 0.00 0.48 0.00 0.00 55.95 57.57 3k72 s SER 403 Cb -0.00 1.07 -0.00 0.00 0.10 0.00 0.00 66.02 67.19 3k72 s SER 403 CO 0.05 -0.18 0.04 2.22 0.98 0.00 0.00 173.24 176.34 3k72 n PHE 404 N 2.87 0.00 -4.01 5.02 1.16 -0.97 -5.01 117.46 116.52 3k72 n PHE 404 Ca -0.14 -0.60 -0.12 0.00 -1.87 0.00 0.00 57.45 54.72 3k72 n PHE 404 Cb 0.56 0.01 -0.12 0.00 -1.61 0.00 0.00 39.48 38.32 3k72 n PHE 404 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3k72 s VAL 405 N -1.94 0.27 -0.38 1.97 -7.23 -1.26 -1.43 120.40 110.40 3k72 s VAL 405 Ca 0.05 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.50 3k72 s VAL 405 Cb 0.00 -0.35 0.11 0.00 0.56 0.00 0.00 36.38 36.70 3k72 s VAL 405 CO 0.04 -0.31 0.12 -0.63 -0.31 0.00 0.00 175.10 174.00 3k72 s ILE 406 N -1.06 2.58 0.31 -0.62 1.01 -1.09 -2.18 121.20 120.15 3k72 s ILE 406 Ca -0.10 -2.39 0.04 0.00 0.00 0.00 0.00 60.65 58.20 3k72 s ILE 406 Cb -0.08 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3k72 s ILE 406 CO -0.00 -0.65 0.47 -0.13 0.00 0.00 0.00 174.94 174.63 3k72 s ARG 407 N 0.81 3.33 -0.33 2.79 0.52 -0.92 -4.01 118.95 121.14 3k72 s ARG 407 Ca 0.11 -0.69 -0.15 0.00 -0.52 0.00 0.00 55.73 54.49 3k72 s ARG 407 Cb -0.21 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 3k72 s ARG 407 CO -0.06 0.19 0.34 0.00 0.02 0.00 0.00 175.30 175.79 3k72 s ALA 408 N -2.18 3.51 -0.14 2.13 0.00 -1.26 -2.51 121.76 121.31 3k72 s ALA 408 Ca 0.40 -1.15 -0.38 0.00 0.00 0.00 0.00 51.96 50.82 3k72 s ALA 408 Cb -0.09 -2.77 -0.15 0.00 0.00 0.00 0.00 23.12 20.11 3k72 s ALA 408 CO 0.32 -0.96 1.66 1.28 0.00 0.00 0.00 175.76 178.06 3k72 n LEU 409 N 5.33 2.40 0.00 0.00 4.77 -1.26 -0.90 117.00 127.34 3k72 n LEU 409 Ca -0.10 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 3k72 n LEU 409 Cb 0.50 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3k72 n LEU 409 CO 0.39 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 3k72 n GLY 410 N 3.79 0.96 3.21 -0.72 0.00 -1.26 -4.69 105.19 106.48 3k72 n GLY 410 Ca 0.24 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 3k72 n GLY 410 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k72 s PHE 411 N -2.00 -0.31 -1.53 1.61 0.40 -0.08 -5.00 117.98 111.08 3k72 s PHE 411 Ca 0.00 0.73 0.29 0.00 -0.60 0.00 0.00 56.93 57.34 3k72 s PHE 411 Cb 0.00 0.11 1.18 0.00 0.51 0.00 0.00 43.02 44.82 3k72 s PHE 411 CO 0.00 -0.21 1.84 0.25 0.70 0.00 0.00 175.22 177.80 3k72 n THR 412 N 2.61 0.00 -2.23 0.64 -2.24 -1.26 -4.61 114.28 107.20 3k72 n THR 412 Ca -0.15 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 3k72 n THR 412 Cb 0.57 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 3k72 n THR 412 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3k72 s ASP 413 N -2.57 5.79 -0.12 3.42 1.11 -1.26 -4.98 116.67 118.06 3k72 s ASP 413 Ca 0.26 0.37 -0.21 0.00 0.18 0.00 0.00 52.55 53.15 3k72 s ASP 413 Cb 0.20 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.61 3k72 s ASP 413 CO 0.50 -1.96 0.62 -0.63 1.18 0.00 0.00 175.17 174.87 3k72 s ILE 414 N 7.22 5.08 -0.44 0.77 1.01 -1.26 -4.39 121.20 129.19 3k72 s ILE 414 Ca 0.60 1.23 -0.08 0.00 0.00 0.00 0.00 60.65 62.40 3k72 s ILE 414 Cb -0.13 -3.95 0.10 0.00 0.01 0.00 0.00 42.46 38.50 3k72 s ILE 414 CO 0.24 0.23 0.29 -0.69 0.00 0.00 0.00 174.94 175.00 3k72 s VAL 415 N 1.11 4.05 -0.87 2.92 1.01 -1.26 -5.03 120.40 122.33 3k72 s VAL 415 Ca 0.32 -1.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.35 3k72 s VAL 415 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3k72 s VAL 415 CO 0.13 -0.66 1.67 -0.89 0.00 0.00 0.00 175.10 175.35 3k72 s THR 416 N 1.35 3.64 -0.51 3.92 2.01 -1.22 -2.68 115.64 122.14 3k72 s THR 416 Ca 0.05 -0.30 -0.24 0.00 0.31 0.00 0.00 61.69 61.51 3k72 s THR 416 Cb -0.25 -4.49 0.03 0.00 0.01 0.00 0.00 72.50 67.81 3k72 s THR 416 CO -0.00 -1.42 0.90 -0.69 -0.69 0.00 0.00 174.62 172.72 3k72 s VAL 417 N 7.54 4.47 0.44 3.82 1.01 -0.51 -3.91 120.40 133.25 3k72 s VAL 417 Ca 0.56 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.76 3k72 s VAL 417 Cb -0.05 -4.47 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 3k72 s VAL 417 CO 0.02 -0.96 0.98 -1.58 0.00 0.00 0.00 175.10 173.56 3k72 s GLN 418 N 3.75 4.13 -0.06 2.72 0.74 -0.66 -2.29 119.66 127.99 3k72 s GLN 418 Ca 0.32 1.21 0.01 0.00 0.05 0.00 0.00 55.36 56.94 3k72 s GLN 418 Cb -0.12 -2.20 0.02 0.00 1.10 0.00 0.00 33.01 31.82 3k72 s GLN 418 CO 0.22 -0.13 -0.06 0.08 -0.55 0.00 0.00 175.29 174.85 3k72 s VAL 419 N -2.08 0.73 -0.20 1.34 1.01 -0.79 -2.64 120.40 117.77 3k72 s VAL 419 Ca 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3k72 s VAL 419 Cb -0.12 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.55 3k72 s VAL 419 CO 0.16 0.28 -0.16 -0.76 0.00 0.00 0.00 175.10 174.62 3k72 s LEU 420 N 1.11 2.37 -0.63 3.92 1.43 -0.90 -2.89 118.68 123.10 3k72 s LEU 420 Ca -0.07 -0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 51.95 3k72 s LEU 420 Cb -0.14 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.55 3k72 s LEU 420 CO -0.01 -0.07 2.42 -2.65 0.23 0.00 0.00 176.35 176.27 3k72 n PRO 421 N 4.61 0.81 -3.14 1.29 -0.02 -1.26 -2.33 135.00 134.96 3k72 n PRO 421 Ca -0.18 -0.35 -0.44 0.00 -2.02 0.00 0.00 63.50 60.51 3k72 n PRO 421 Cb 0.48 -3.48 -0.06 0.00 -0.02 0.00 0.00 33.50 30.42 3k72 n PRO 421 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k72 s GLN 422 N 8.55 3.12 -0.44 -0.52 0.74 -0.82 -4.93 119.66 125.37 3k72 s GLN 422 Ca 0.97 -0.92 0.07 0.00 0.05 0.00 0.00 55.36 55.53 3k72 s GLN 422 Cb -0.19 -4.12 0.25 0.00 1.10 0.00 0.00 33.01 30.05 3k72 s GLN 422 CO 0.20 -1.28 0.71 0.00 -0.55 0.00 0.00 175.29 174.37 3k72 s GLU 424 N -0.24 1.12 -0.18 0.00 0.41 -1.26 -5.08 118.70 113.47 3k72 s GLU 424 Ca 0.33 -0.55 -0.11 0.00 -0.41 0.00 0.00 54.97 54.24 3k72 s GLU 424 Cb 0.20 0.43 0.06 0.00 -1.78 0.00 0.00 34.13 33.04 3k72 s GLU 424 CO -0.18 -0.51 0.45 0.00 -0.49 0.00 0.00 175.26 174.53 3k72 s ARG 426 N 1.24 2.13 0.00 0.00 3.52 -1.26 -5.00 118.95 119.58 3k72 s ARG 426 Ca -0.08 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 3k72 s ARG 426 Cb -0.07 -1.96 0.00 0.00 -1.56 0.00 0.00 34.95 31.36 3k72 s ARG 426 CO -0.11 -0.21 0.00 0.00 -0.81 0.00 0.00 175.30 174.16 3k72 n ARG 428 N -1.71 0.00 -3.31 0.00 1.74 -1.26 -5.00 116.66 107.12 3k72 n ARG 428 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3k72 n ARG 428 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3k72 n ARG 428 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3k72 n ASP 429 N -2.64 -0.61 -1.59 0.55 5.68 -1.26 -4.87 116.55 111.80 3k72 n ASP 429 Ca 0.00 -2.33 0.05 0.00 -0.50 0.00 0.00 54.79 52.01 3k72 n ASP 429 Cb 0.00 1.28 0.32 0.00 -1.14 0.00 0.00 41.12 41.57 3k72 n ASP 429 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k72 n GLN 430 N -0.39 4.03 -0.03 0.11 10.64 -1.26 -3.33 117.38 127.15 3k72 n GLN 430 Ca 0.03 -2.46 -0.08 0.00 -1.83 0.00 0.00 57.00 52.66 3k72 n GLN 430 Cb 0.38 -2.10 -0.14 0.00 -0.86 0.00 0.00 30.24 27.52 3k72 n GLN 430 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3k72 n SER 431 N 0.47 0.77 -4.53 2.61 3.41 -1.26 -4.53 113.62 110.56 3k72 n SER 431 Ca 0.22 0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 58.77 3k72 n SER 431 Cb 1.00 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 3k72 n SER 431 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3k72 s ARG 432 N -2.60 3.33 -0.20 4.33 6.06 -1.21 -4.52 118.95 124.14 3k72 s ARG 432 Ca -0.05 -0.26 -0.00 0.00 -2.50 0.00 0.00 55.73 52.92 3k72 s ARG 432 Cb 0.08 -3.95 -0.00 0.00 0.06 0.00 0.00 34.95 31.14 3k72 s ARG 432 CO 0.83 -1.06 0.19 -0.25 -2.50 0.00 0.00 175.30 172.51 3k72 n ASP 433 N 6.46 -3.49 -0.16 -2.12 8.00 -1.26 -4.78 116.55 119.20 3k72 n ASP 433 Ca 0.00 -0.03 0.15 0.00 0.71 0.00 0.00 54.79 55.62 3k72 n ASP 433 Cb 0.48 -2.10 0.79 0.00 -0.02 0.00 0.00 41.12 40.27 3k72 n ASP 433 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3k72 n ARG 434 N -1.26 1.17 0.00 -1.24 1.74 -1.26 -4.34 116.66 111.47 3k72 n ARG 434 Ca -0.00 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 3k72 n ARG 434 Cb 0.50 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3k72 n ARG 434 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3k72 n SER 435 N -0.64 0.00 -4.34 0.55 3.41 -1.26 -2.72 113.62 108.62 3k72 n SER 435 Ca 0.22 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.80 3k72 n SER 435 Cb 0.20 -0.26 0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3k72 n SER 435 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k72 n LEU 436 N -1.28 -1.25 -0.79 1.04 4.77 -1.26 -1.14 117.00 117.10 3k72 n LEU 436 Ca 0.00 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 3k72 n LEU 436 Cb 0.00 -1.12 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 3k72 n LEU 436 CO 0.00 -3.95 -0.10 0.00 -1.33 0.00 0.00 177.39 172.01 3k72 n HIS 438 N -2.47 -1.19 0.00 0.00 8.25 -0.29 -1.76 115.22 117.76 3k72 n HIS 438 Ca -0.10 0.64 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 3k72 n HIS 438 Cb 0.45 -2.28 0.00 0.00 1.12 0.00 0.00 29.99 29.28 3k72 n HIS 438 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k72 n GLY 439 N -1.79 2.26 2.71 -1.41 0.00 -1.07 -4.80 105.19 101.10 3k72 n GLY 439 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3k72 n GLY 439 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k72 n LYS 440 N -0.78 4.23 0.00 1.61 4.76 -0.72 -4.91 118.16 122.36 3k72 n LYS 440 Ca 0.00 -4.01 0.00 0.00 -2.87 0.00 0.00 58.31 51.43 3k72 n LYS 440 Cb 0.00 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 30.80 3k72 n LYS 440 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k72 n GLY 441 N -0.01 2.28 3.88 0.72 0.00 -1.25 -3.59 105.19 107.21 3k72 n GLY 441 Ca 0.51 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3k72 n GLY 441 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k72 s PHE 442 N -2.00 2.08 -0.02 1.61 -0.12 -1.13 -4.87 117.98 113.53 3k72 s PHE 442 Ca 0.00 -0.69 0.07 0.00 -0.05 0.00 0.00 56.93 56.26 3k72 s PHE 442 Cb 0.00 -2.02 -0.02 0.00 -0.63 0.00 0.00 43.02 40.35 3k72 s PHE 442 CO 0.00 -0.32 -0.23 -1.17 -0.05 0.00 0.00 175.22 173.45 3k72 s LEU 443 N -4.21 2.04 -0.24 -1.99 0.20 -1.26 -1.99 118.68 111.23 3k72 s LEU 443 Ca 0.41 -0.42 -0.03 0.00 0.69 0.00 0.00 54.13 54.78 3k72 s LEU 443 Cb -0.02 -1.19 0.11 0.00 -0.43 0.00 0.00 46.19 44.66 3k72 s LEU 443 CO 0.24 0.28 0.22 -0.70 -0.29 0.00 0.00 176.35 176.11 3k72 s GLU 444 N -0.54 0.22 -1.21 1.98 2.56 -0.87 -4.24 118.70 116.60 3k72 s GLU 444 Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.97 54.94 3k72 s GLU 444 Cb -0.09 -1.08 -0.02 0.00 2.00 0.00 0.00 34.13 34.95 3k72 s GLU 444 CO -0.01 -0.83 0.76 0.00 -0.56 0.00 0.00 175.26 174.62 3k72 n GLY 446 N -1.55 0.91 3.36 0.00 0.00 -1.26 -4.61 105.19 102.04 3k72 n GLY 446 Ca -0.20 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 3k72 n GLY 446 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k72 n ILE 447 N 0.00 0.00 -4.74 -0.61 -5.35 -1.25 -4.95 119.36 102.46 3k72 n ILE 447 Ca 0.00 -0.24 -0.32 0.00 -0.27 0.00 0.00 62.75 61.92 3k72 n ILE 447 Cb 0.00 -0.64 -0.17 0.00 -1.74 0.00 0.00 39.64 37.10 3k72 n ILE 447 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k72 s ARG 449 N 0.75 3.25 1.04 0.00 0.52 -0.84 -4.79 118.95 118.88 3k72 s ARG 449 Ca -0.09 -0.44 -0.18 0.00 -0.52 0.00 0.00 55.73 54.50 3k72 s ARG 449 Cb -0.16 -3.96 0.24 0.00 0.52 0.00 0.00 34.95 31.59 3k72 s ARG 449 CO -0.00 -1.02 1.29 0.00 0.02 0.00 0.00 175.30 175.59 3k72 n ASP 451 N -4.08 -0.20 -0.05 0.00 8.00 -1.24 -4.91 116.55 114.08 3k72 n ASP 451 Ca 0.16 -0.81 -0.02 0.00 0.71 0.00 0.00 54.79 54.84 3k72 n ASP 451 Cb 0.59 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.94 3k72 n ASP 451 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3k72 h THR 452 N -1.02 1.21 0.00 -3.53 1.35 -1.98 -3.24 112.91 105.71 3k72 h THR 452 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3k72 h THR 452 Cb 0.00 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3k72 h THR 452 CO 0.00 0.30 -1.11 0.61 -0.25 0.00 0.00 175.52 175.07 3k72 n GLY 453 N -0.81 -0.82 3.70 5.82 0.00 -1.26 -4.94 105.19 106.88 3k72 n GLY 453 Ca 0.02 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 3k72 n GLY 453 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k72 s TYR 454 N -2.92 3.13 0.07 1.61 1.51 -1.22 -4.39 117.35 115.14 3k72 s TYR 454 Ca 0.04 0.14 -0.07 0.00 -1.01 0.00 0.00 57.07 56.17 3k72 s TYR 454 Cb 0.14 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 3k72 s TYR 454 CO 0.79 0.48 0.14 0.42 -1.11 0.00 0.00 175.55 176.27 3k72 s ILE 455 N -1.03 0.15 0.00 2.71 -1.09 -1.22 -3.82 121.20 116.89 3k72 s ILE 455 Ca 0.18 -1.20 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 3k72 s ILE 455 Cb -0.12 -1.21 0.00 0.00 -1.58 0.00 0.00 42.46 39.55 3k72 s ILE 455 CO 0.08 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 173.74 3k72 n GLY 456 N 0.24 3.60 0.00 6.18 0.00 -1.26 -3.13 105.19 110.82 3k72 n GLY 456 Ca -0.16 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.14 3k72 n GLY 456 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3k72 n LYS 457 N -1.38 0.47 -1.36 1.61 2.85 -1.26 -2.42 118.16 116.66 3k72 n LYS 457 Ca 0.00 0.04 0.01 0.00 -1.05 0.00 0.00 58.31 57.31 3k72 n LYS 457 Cb 0.00 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 32.87 3k72 n LYS 457 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k72 n ASN 458 N -1.11 0.42 -2.92 -5.58 3.02 -1.26 -4.35 115.26 103.48 3k72 n ASN 458 Ca 0.12 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.53 3k72 n ASN 458 Cb 0.10 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 3k72 n ASN 458 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k72 h GLU 460 N -0.36 0.11 -7.55 0.00 9.09 -1.84 -3.42 114.58 110.61 3k72 h GLU 460 Ca -0.26 -0.19 -0.46 0.00 0.05 0.00 0.00 59.36 58.50 3k72 h GLU 460 Cb 1.18 0.07 0.12 0.00 -1.65 0.00 0.00 28.75 28.47 3k72 h GLU 460 CO 0.33 1.09 0.33 0.00 0.05 0.00 0.00 179.01 180.81 3k72 s GLN 462 N -5.57 0.92 0.00 0.00 0.74 -1.26 -3.41 119.66 111.08 3k72 s GLN 462 Ca 0.67 -1.07 0.00 0.00 0.05 0.00 0.00 55.36 55.01 3k72 s GLN 462 Cb -0.07 -0.91 0.00 0.00 1.10 0.00 0.00 33.01 33.13 3k72 s GLN 462 CO 0.49 0.19 0.65 0.25 -0.55 0.00 0.00 175.29 176.32 3k72 n THR 463 N 1.01 0.56 -3.16 -0.34 -2.24 -1.26 -3.99 114.28 104.84 3k72 n THR 463 Ca -0.19 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 3k72 n THR 463 Cb 0.55 -0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 3k72 n THR 463 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k72 n GLN 464 N 0.51 0.47 0.00 -0.78 6.02 -1.26 -5.06 117.38 117.27 3k72 n GLN 464 Ca 0.00 -2.86 0.00 0.00 -0.01 0.00 0.00 57.00 54.13 3k72 n GLN 464 Cb 0.32 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.11 3k72 n GLN 464 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k72 n GLY 465 N 2.27 1.08 3.57 1.08 0.00 -1.26 -5.16 105.19 106.78 3k72 n GLY 465 Ca 0.23 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 3k72 n GLY 465 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k72 s ARG 466 N -0.10 0.87 0.00 1.61 0.52 -1.26 -4.96 118.95 115.63 3k72 s ARG 466 Ca 0.00 0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 3k72 s ARG 466 Cb 0.00 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.89 3k72 s ARG 466 CO 0.00 -0.23 0.00 0.43 0.02 0.00 0.00 175.30 175.52 3k72 n SER 467 N 1.42 0.00 -1.61 0.23 7.64 -1.26 -4.88 113.62 115.16 3k72 n SER 467 Ca -0.16 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.67 3k72 n SER 467 Cb 0.57 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 3k72 n SER 467 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3k72 n SER 468 N 0.00 -0.16 0.00 6.43 7.64 -1.26 -5.04 113.62 121.23 3k72 n SER 468 Ca 0.00 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.29 3k72 n SER 468 Cb 0.00 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3k72 n SER 468 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3k72 n GLN 469 N -0.17 0.00 -0.22 1.43 7.27 -1.26 -4.37 117.38 120.06 3k72 n GLN 469 Ca 0.02 0.11 0.04 0.00 0.07 0.00 0.00 57.00 57.24 3k72 n GLN 469 Cb 0.16 -0.60 0.15 0.00 2.41 0.00 0.00 30.24 32.36 3k72 n GLN 469 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3k72 n GLU 470 N -0.85 1.99 0.29 3.69 1.02 -1.26 -2.81 120.64 122.72 3k72 n GLU 470 Ca 0.00 -1.17 0.18 0.00 -0.02 0.00 0.00 57.16 56.15 3k72 n GLU 470 Cb 0.00 -1.41 0.80 0.00 -0.02 0.00 0.00 31.44 30.81 3k72 n GLU 470 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3k72 h LEU 471 N 1.76 0.00 -0.77 -4.62 3.38 -1.96 -2.27 115.31 110.84 3k72 h LEU 471 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k72 h LEU 471 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3k72 h LEU 471 CO 0.06 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 3k72 n GLU 472 N -3.07 0.92 0.10 1.13 1.02 -1.12 -3.64 120.64 115.98 3k72 n GLU 472 Ca -0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3k72 n GLU 472 Cb 0.25 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 3k72 n GLU 472 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3k72 h GLY 473 N 4.86 -0.31 -0.26 0.62 0.00 -1.68 -3.23 103.07 103.08 3k72 h GLY 473 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3k72 h GLY 473 CO 0.00 -0.11 0.00 -1.26 0.00 0.00 0.00 176.54 175.17 3k72 n SER 474 N -3.50 0.69 -0.01 0.19 2.88 -1.26 -3.38 113.62 109.24 3k72 n SER 474 Ca -0.04 -1.79 0.13 0.00 -1.33 0.00 0.00 58.87 55.84 3k72 n SER 474 Cb 0.12 -0.07 0.41 0.00 -0.75 0.00 0.00 64.21 63.92 3k72 n SER 474 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k72 s ARG 476 N -2.98 1.11 0.22 0.00 1.70 -1.22 -1.85 118.95 115.94 3k72 s ARG 476 Ca 0.13 -0.33 -0.08 0.00 -0.47 0.00 0.00 55.73 54.98 3k72 s ARG 476 Cb 0.18 -1.01 0.32 0.00 -0.57 0.00 0.00 34.95 33.87 3k72 s ARG 476 CO 0.62 0.10 1.77 1.57 -1.08 0.00 0.00 175.30 178.28 3k72 h LYS 477 N 6.51 0.54 -4.77 3.89 2.10 -1.86 -3.45 116.57 119.53 3k72 h LYS 477 Ca -0.33 -0.03 -0.40 0.00 -2.00 0.00 0.00 60.65 57.88 3k72 h LYS 477 Cb 1.17 -0.12 -0.13 0.00 -0.90 0.00 0.00 32.23 32.25 3k72 h LYS 477 CO 0.48 0.36 -0.50 0.16 -2.00 0.00 0.00 179.45 177.95 3k72 s ASP 478 N -5.47 1.26 0.43 7.07 1.47 -1.26 -5.05 116.67 115.11 3k72 s ASP 478 Ca -0.13 -1.65 0.24 0.00 1.18 0.00 0.00 52.55 52.19 3k72 s ASP 478 Cb 0.18 0.52 0.71 0.00 -0.34 0.00 0.00 42.92 43.99 3k72 s ASP 478 CO 0.76 -1.03 1.73 0.78 0.68 0.00 0.00 175.17 178.09 3k72 h ASN 479 N 2.25 0.00 -0.90 2.11 4.21 -1.96 -2.87 115.58 118.42 3k72 h ASN 479 Ca -0.28 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 56.73 3k72 h ASN 479 Cb 1.24 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 38.16 3k72 h ASN 479 CO 0.40 0.19 0.55 0.59 -1.29 0.00 0.00 177.43 177.88 3k72 n ASN 480 N -3.24 4.29 -4.33 5.81 4.13 -1.26 -4.96 115.26 115.71 3k72 n ASN 480 Ca 0.01 -3.67 -0.30 0.00 1.68 0.00 0.00 54.58 52.30 3k72 n ASN 480 Cb 0.49 -0.82 -0.15 0.00 -1.54 0.00 0.00 39.78 37.75 3k72 n ASN 480 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3k72 s SER 481 N -1.64 3.11 0.49 6.41 0.15 -1.09 -5.13 113.70 116.01 3k72 s SER 481 Ca 0.56 -0.54 -0.22 0.00 0.70 0.00 0.00 55.95 56.46 3k72 s SER 481 Cb 0.47 -0.31 -0.07 0.00 -1.71 0.00 0.00 66.02 64.41 3k72 s SER 481 CO 0.07 0.29 1.17 -0.51 1.20 0.00 0.00 173.24 175.45 3k72 s ILE 482 N -0.72 3.04 0.23 6.45 2.07 -1.26 -4.84 121.20 126.16 3k72 s ILE 482 Ca 0.11 0.73 -0.31 0.00 -1.41 0.00 0.00 60.65 59.77 3k72 s ILE 482 Cb -0.10 -3.35 -0.12 0.00 0.13 0.00 0.00 42.46 39.02 3k72 s ILE 482 CO 0.01 -0.05 1.68 -0.63 -1.91 0.00 0.00 174.94 174.03 3k72 s ILE 483 N -1.60 2.07 -1.59 2.00 1.01 -1.26 -1.60 121.20 120.24 3k72 s ILE 483 Ca 0.67 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.38 3k72 s ILE 483 Cb -0.28 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.15 3k72 s ILE 483 CO 0.33 0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.28 3k72 n SER 485 N -1.30 -2.78 -1.38 0.00 7.64 -0.63 -4.08 113.62 111.09 3k72 n SER 485 Ca -0.18 -0.04 0.18 0.00 1.01 0.00 0.00 58.87 59.85 3k72 n SER 485 Cb 0.58 -2.38 -0.05 0.00 -1.01 0.00 0.00 64.21 61.35 3k72 n SER 485 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k72 n GLY 486 N -0.86 -1.96 2.87 0.23 0.00 -0.78 -4.81 105.19 99.88 3k72 n GLY 486 Ca -0.03 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 3k72 n GLY 486 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k72 n LEU 487 N -4.08 -1.80 -3.59 0.99 4.77 -1.26 -4.87 117.00 107.16 3k72 n LEU 487 Ca -0.00 -0.14 0.02 0.00 -0.03 0.00 0.00 56.01 55.85 3k72 n LEU 487 Cb 0.66 -2.47 -0.06 0.00 -2.33 0.00 0.00 43.42 39.22 3k72 n LEU 487 CO 0.01 0.05 0.94 -0.83 -1.33 0.00 0.00 177.39 176.23 3k72 s GLY 488 N -2.43 0.49 -0.24 -0.72 0.00 -1.26 -2.00 107.32 101.16 3k72 s GLY 488 Ca 0.20 3.71 -0.08 0.00 0.00 0.00 0.00 44.72 48.56 3k72 s GLY 488 CO 0.25 2.83 0.10 0.51 0.00 0.00 0.00 173.10 176.80 3k72 s ASP 489 N 1.24 5.48 0.12 1.64 1.47 -1.21 -4.52 116.67 120.88 3k72 s ASP 489 Ca -0.07 -0.09 -0.30 0.00 1.18 0.00 0.00 52.55 53.27 3k72 s ASP 489 Cb -0.02 -1.98 -0.07 0.00 -0.34 0.00 0.00 42.92 40.50 3k72 s ASP 489 CO -0.11 0.01 1.19 0.00 0.68 0.00 0.00 175.17 176.93 3k72 s VAL 491 N 0.51 -0.09 -1.21 0.00 1.01 -0.38 -4.83 120.40 115.41 3k72 s VAL 491 Ca 0.56 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 3k72 s VAL 491 Cb -0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 3k72 s VAL 491 CO 0.32 0.14 0.91 0.00 0.00 0.00 0.00 175.10 176.47 3k72 n GLY 493 N -1.26 2.02 3.98 0.00 0.00 -1.24 -4.95 105.19 103.74 3k72 n GLY 493 Ca -0.26 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 3k72 n GLY 493 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k72 s GLN 494 N 0.00 1.18 0.09 1.61 -2.07 -1.20 -2.87 119.66 116.41 3k72 s GLN 494 Ca 0.00 -0.94 0.08 0.00 -1.82 0.00 0.00 55.36 52.68 3k72 s GLN 494 Cb 0.00 -2.15 -0.04 0.00 -1.09 0.00 0.00 33.01 29.73 3k72 s GLN 494 CO 0.00 -1.88 -0.15 0.00 -1.32 0.00 0.00 175.29 171.94 3k72 s LEU 496 N -1.96 4.76 0.23 0.00 2.96 -1.06 -4.92 118.68 118.69 3k72 s LEU 496 Ca 0.18 -2.92 -0.30 0.00 -0.22 0.00 0.00 54.13 50.87 3k72 s LEU 496 Cb -0.11 -1.74 -0.15 0.00 0.50 0.00 0.00 46.19 44.69 3k72 s LEU 496 CO 0.10 -0.30 1.01 0.00 -1.32 0.00 0.00 176.35 175.84 3k72 s HIS 498 N -0.72 2.24 -0.02 0.00 0.09 -0.85 -4.92 115.29 111.12 3k72 s HIS 498 Ca 0.65 1.29 0.03 0.00 -0.00 0.00 0.00 55.06 57.03 3k72 s HIS 498 Cb -0.79 -3.16 -0.03 0.00 -0.00 0.00 0.00 32.58 28.60 3k72 s HIS 498 CO 0.57 -2.47 -0.11 0.95 -0.00 0.00 0.00 174.74 173.68 3k72 s THR 499 N -2.89 3.36 -0.14 1.30 -4.23 -1.26 -4.50 115.64 107.28 3k72 s THR 499 Ca 0.64 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 3k72 s THR 499 Cb -0.19 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.27 3k72 s THR 499 CO 0.57 0.48 -0.19 -0.55 -0.54 0.00 0.00 174.62 174.40 3k72 s SER 500 N -1.10 2.89 -0.53 3.99 0.15 -1.26 -5.02 113.70 112.82 3k72 s SER 500 Ca 0.14 -0.55 -0.06 0.00 0.70 0.00 0.00 55.95 56.18 3k72 s SER 500 Cb -0.11 -1.33 -0.10 0.00 -1.71 0.00 0.00 66.02 62.77 3k72 s SER 500 CO 0.04 0.04 3.14 -0.90 1.20 0.00 0.00 173.24 176.76 3k72 n ASP 501 N 4.26 6.46 -4.19 5.45 5.68 -1.26 -4.81 116.55 128.14 3k72 n ASP 501 Ca -0.20 -2.78 -0.31 0.00 -0.50 0.00 0.00 54.79 51.01 3k72 n ASP 501 Cb 0.51 -1.38 -0.17 0.00 -1.14 0.00 0.00 41.12 38.94 3k72 n ASP 501 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3k72 s VAL 502 N 0.01 1.94 -0.38 2.12 1.01 -1.26 -5.07 120.40 118.76 3k72 s VAL 502 Ca 0.64 -0.94 -0.44 0.00 0.00 0.00 0.00 61.98 61.23 3k72 s VAL 502 Cb 0.30 -1.69 -0.19 0.00 0.00 0.00 0.00 36.38 34.81 3k72 s VAL 502 CO -0.08 0.53 1.59 -2.65 0.00 0.00 0.00 175.10 174.49 3k72 n PRO 503 N 3.63 0.35 0.00 2.72 -0.02 -1.26 -1.69 135.00 138.73 3k72 n PRO 503 Ca -0.20 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3k72 n PRO 503 Cb 0.53 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3k72 n PRO 503 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k72 n GLY 504 N 3.81 2.32 3.52 -1.23 0.00 -1.26 -4.99 105.19 107.35 3k72 n GLY 504 Ca 0.29 -0.45 -0.55 0.00 0.00 0.00 0.00 46.02 45.30 3k72 n GLY 504 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k72 n LYS 505 N 0.00 0.37 -3.50 1.61 3.00 -0.68 -4.73 118.16 114.22 3k72 n LYS 505 Ca 0.00 0.13 -0.00 0.00 -0.00 0.00 0.00 58.31 58.44 3k72 n LYS 505 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 35.03 33.38 3k72 n LYS 505 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3k72 s LEU 506 N 0.52 -0.66 0.23 3.14 2.96 -1.26 -4.74 118.68 118.87 3k72 s LEU 506 Ca 0.85 0.94 -0.04 0.00 -0.22 0.00 0.00 54.13 55.65 3k72 s LEU 506 Cb -1.12 1.80 -0.05 0.00 0.50 0.00 0.00 46.19 47.32 3k72 s LEU 506 CO 0.54 -0.14 0.47 -0.63 -1.32 0.00 0.00 176.35 175.28 3k72 s ILE 507 N 2.24 5.09 -0.01 6.68 -1.09 -1.26 -2.48 121.20 130.37 3k72 s ILE 507 Ca -0.05 -0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.05 3k72 s ILE 507 Cb -0.06 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.22 3k72 s ILE 507 CO -0.17 -0.19 1.04 -0.72 -1.23 0.00 0.00 174.94 173.66 3k72 s TYR 508 N -1.92 -0.20 0.00 3.97 -0.85 -0.72 -4.92 117.35 112.71 3k72 s TYR 508 Ca 0.42 0.05 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 3k72 s TYR 508 Cb -0.11 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.79 3k72 s TYR 508 CO 0.28 -0.50 0.00 0.41 -1.52 0.00 0.00 175.55 174.22 3k72 n GLY 509 N -0.30 3.08 0.27 5.49 0.00 -1.26 -2.67 105.19 109.79 3k72 n GLY 509 Ca -0.06 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 43.92 3k72 n GLY 509 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k72 h GLN 510 N 0.00 0.76 -0.27 1.61 4.20 -1.98 -2.41 115.11 117.02 3k72 h GLN 510 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3k72 h GLN 510 Cb 0.00 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3k72 h GLN 510 CO 0.00 0.50 0.00 0.66 -0.67 0.00 0.00 178.83 179.32 3k72 n TYR 511 N -4.72 0.96 -3.77 2.96 4.01 -1.26 -3.43 117.16 111.91 3k72 n TYR 511 Ca 0.08 -0.87 -0.24 0.00 -0.16 0.00 0.00 57.90 56.72 3k72 n TYR 511 Cb 0.14 -0.31 0.02 0.00 -0.31 0.00 0.00 39.34 38.87 3k72 n TYR 511 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k72 n GLU 513 N -4.27 0.67 -3.43 0.00 0.00 -1.20 -4.70 120.64 107.73 3k72 n GLU 513 Ca -0.26 0.10 -0.38 0.00 0.00 0.00 0.00 57.16 56.62 3k72 n GLU 513 Cb 0.66 -1.56 -0.06 0.00 0.00 0.00 0.00 31.44 30.49 3k72 n GLU 513 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3k72 s ASP 515 N -1.17 2.14 -0.60 0.00 1.47 -1.26 -1.76 116.67 115.49 3k72 s ASP 515 Ca 0.27 -1.28 0.02 0.00 1.18 0.00 0.00 52.55 52.74 3k72 s ASP 515 Cb -0.17 -0.04 0.39 0.00 -0.34 0.00 0.00 42.92 42.75 3k72 s ASP 515 CO 0.16 -0.53 1.46 0.35 0.68 0.00 0.00 175.17 177.28 3k72 n THR 516 N -0.55 2.90 0.00 2.11 -2.24 -1.04 -1.62 114.28 113.84 3k72 n THR 516 Ca -0.04 -4.73 0.00 0.00 -2.27 0.00 0.00 64.05 57.01 3k72 n THR 516 Cb 0.65 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 3k72 n THR 516 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3k72 n ILE 517 N -0.49 0.00 -2.78 2.28 -6.64 -1.26 -4.56 119.36 105.91 3k72 n ILE 517 Ca 0.44 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 61.00 3k72 n ILE 517 Cb 0.49 0.00 0.01 0.00 -1.44 0.00 0.00 39.64 38.70 3k72 n ILE 517 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 3k72 n ASN 518 N -0.46 6.38 -0.11 7.28 5.15 -1.26 -4.94 115.26 127.30 3k72 n ASN 518 Ca 0.00 -3.38 0.00 0.00 -0.60 0.00 0.00 54.58 50.60 3k72 n ASN 518 Cb 0.00 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 37.95 3k72 n ASN 518 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k72 s GLU 520 N 0.84 4.36 0.67 0.00 2.12 -1.24 -4.91 118.70 120.53 3k72 s GLU 520 Ca 0.00 0.84 -0.07 0.00 0.36 0.00 0.00 54.97 56.10 3k72 s GLU 520 Cb 0.00 -3.32 0.15 0.00 0.26 0.00 0.00 34.13 31.21 3k72 s GLU 520 CO 0.00 0.41 0.91 0.54 -0.54 0.00 0.00 175.26 176.58 3k72 n ARG 521 N 2.49 -0.53 -3.22 4.30 1.74 -1.26 -2.03 116.66 118.15 3k72 n ARG 521 Ca -0.06 -1.82 0.03 0.00 -0.77 0.00 0.00 57.85 55.23 3k72 n ARG 521 Cb 0.51 -0.81 -0.04 0.00 -1.02 0.00 0.00 32.46 31.10 3k72 n ARG 521 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3k72 s TYR 522 N -2.83 -0.20 -1.37 -1.55 5.04 -0.22 -4.70 117.35 111.51 3k72 s TYR 522 Ca 0.55 0.35 -0.05 0.00 -2.44 0.00 0.00 57.07 55.48 3k72 s TYR 522 Cb -0.02 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.44 3k72 s TYR 522 CO 0.38 -0.10 0.85 -1.71 -1.34 0.00 0.00 175.55 173.63 3k72 n ASN 523 N 4.67 -2.76 -3.26 4.32 5.15 -1.26 -1.56 115.26 120.56 3k72 n ASN 523 Ca -0.07 -0.77 -0.24 0.00 -0.60 0.00 0.00 54.58 52.91 3k72 n ASN 523 Cb 0.55 -4.17 0.03 0.00 -0.53 0.00 0.00 39.78 35.66 3k72 n ASN 523 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k72 n GLY 524 N -1.61 -0.51 3.08 8.20 0.00 -1.26 -4.97 105.19 108.11 3k72 n GLY 524 Ca -0.17 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 3k72 n GLY 524 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k72 s GLN 525 N -5.95 0.40 -0.14 1.61 -0.21 -0.60 -4.99 119.66 109.78 3k72 s GLN 525 Ca 0.40 -0.30 -0.29 0.00 0.02 0.00 0.00 55.36 55.19 3k72 s GLN 525 Cb -0.19 0.17 -0.03 0.00 1.00 0.00 0.00 33.01 33.95 3k72 s GLN 525 CO 0.49 -0.09 1.54 0.14 -2.12 0.00 0.00 175.29 175.25 3k72 s VAL 526 N -1.09 3.80 -1.32 1.09 -7.23 -1.26 -1.06 120.40 113.33 3k72 s VAL 526 Ca -0.12 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 3k72 s VAL 526 Cb -0.06 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.19 3k72 s VAL 526 CO 0.01 -0.17 0.00 0.00 -0.31 0.00 0.00 175.10 174.64 3k72 n GLY 528 N -0.46 1.02 1.47 0.00 0.00 -1.13 -2.97 105.19 103.11 3k72 n GLY 528 Ca -0.14 -0.40 0.20 0.00 0.00 0.00 0.00 46.02 45.68 3k72 n GLY 528 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k72 n GLY 529 N -0.48 -2.04 0.28 -0.02 0.00 -0.32 -2.35 105.19 100.25 3k72 n GLY 529 Ca 0.00 -1.14 0.17 0.00 0.00 0.00 0.00 46.02 45.05 3k72 n GLY 529 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k72 h PRO 530 N -1.37 0.00 0.28 1.61 0.13 -1.82 -3.18 132.00 127.65 3k72 h PRO 530 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3k72 h PRO 530 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3k72 h PRO 530 CO 0.02 0.03 -0.13 0.78 -0.23 0.00 0.00 178.00 178.46 3k72 h GLY 531 N 1.90 -0.39 0.00 1.56 0.00 -1.96 -3.41 103.07 100.77 3k72 h GLY 531 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3k72 h GLY 531 CO 0.00 -0.14 0.00 0.54 0.00 0.00 0.00 176.54 176.94 3k72 n ARG 532 N -3.88 0.00 -1.90 4.80 1.74 -0.99 -4.81 116.66 111.62 3k72 n ARG 532 Ca -0.05 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3k72 n ARG 532 Cb 0.15 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3k72 n ARG 532 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k72 n GLY 533 N -0.26 4.15 3.32 -0.13 0.00 -1.16 -1.66 105.19 109.45 3k72 n GLY 533 Ca 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 3k72 n GLY 533 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k72 s LEU 534 N 0.00 1.64 -0.09 0.99 1.43 -1.10 -4.30 118.68 117.24 3k72 s LEU 534 Ca 0.00 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 51.71 3k72 s LEU 534 Cb 0.00 0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.23 3k72 s LEU 534 CO 0.00 -0.74 -0.11 0.00 0.23 0.00 0.00 176.35 175.73 3k72 s PHE 536 N -0.27 -1.01 -1.18 0.00 0.08 -0.81 -4.63 117.98 110.16 3k72 s PHE 536 Ca 0.03 0.09 -0.06 0.00 0.12 0.00 0.00 56.93 57.10 3k72 s PHE 536 Cb -0.13 -0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.19 3k72 s PHE 536 CO 0.03 -1.02 0.83 0.00 -0.10 0.00 0.00 175.22 174.96 3k72 n GLY 538 N -1.43 2.30 3.78 0.00 0.00 -1.25 -4.98 105.19 103.62 3k72 n GLY 538 Ca -0.18 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 3k72 n GLY 538 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k72 s LYS 539 N 0.00 4.44 -0.27 1.61 1.02 -1.22 -3.67 119.74 121.64 3k72 s LYS 539 Ca 0.00 1.42 -0.11 0.00 0.02 0.00 0.00 55.97 57.29 3k72 s LYS 539 Cb 0.00 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.54 3k72 s LYS 539 CO 0.00 0.12 0.21 0.00 -0.92 0.00 0.00 175.35 174.76 3k72 s ARG 541 N 1.67 3.66 0.34 0.00 0.52 -0.68 -4.86 118.95 119.60 3k72 s ARG 541 Ca 0.08 -1.90 -0.28 0.00 -0.52 0.00 0.00 55.73 53.11 3k72 s ARG 541 Cb -0.16 -4.92 -0.10 0.00 0.52 0.00 0.00 34.95 30.29 3k72 s ARG 541 CO 0.10 -1.75 1.33 0.00 0.02 0.00 0.00 175.30 174.99 3k72 n HIS 543 N 0.72 -1.25 -1.72 0.00 8.25 -0.66 -4.80 115.22 115.76 3k72 n HIS 543 Ca 0.00 0.02 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 3k72 n HIS 543 Cb 0.42 -1.66 -0.02 0.00 1.12 0.00 0.00 29.99 29.84 3k72 n HIS 543 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3k72 n PRO 544 N -3.46 2.47 -0.47 -0.41 -0.02 -1.26 -2.24 135.00 129.61 3k72 n PRO 544 Ca 0.03 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3k72 n PRO 544 Cb 0.57 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3k72 n PRO 544 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k72 n GLY 545 N 2.18 0.75 2.90 -1.23 0.00 -1.26 -5.04 105.19 103.49 3k72 n GLY 545 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3k72 n GLY 545 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k72 s PHE 546 N -2.43 0.77 0.37 1.61 0.40 -0.95 -0.47 117.98 117.29 3k72 s PHE 546 Ca 0.00 -0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 3k72 s PHE 546 Cb 0.00 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.83 3k72 s PHE 546 CO 0.00 -0.19 0.13 -1.83 0.70 0.00 0.00 175.22 174.03 3k72 s GLU 547 N 0.88 1.82 0.00 0.44 -1.05 -1.21 -4.55 118.70 115.03 3k72 s GLU 547 Ca -0.12 -2.09 0.00 0.00 -0.15 0.00 0.00 54.97 52.62 3k72 s GLU 547 Cb -0.14 -0.52 0.00 0.00 -0.44 0.00 0.00 34.13 33.03 3k72 s GLU 547 CO 0.00 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.18 3k72 n GLY 548 N -0.81 2.42 0.23 -3.83 0.00 -1.26 -3.06 105.19 98.88 3k72 n GLY 548 Ca -0.04 -2.13 -0.04 0.00 0.00 0.00 0.00 46.02 43.81 3k72 n GLY 548 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k72 h SER 549 N 0.00 0.51 -0.43 1.61 0.02 -1.98 -3.18 113.55 110.10 3k72 h SER 549 Ca 0.00 0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 60.66 3k72 h SER 549 Cb 0.00 -0.09 -0.37 0.00 0.14 0.00 0.00 62.40 62.09 3k72 h SER 549 CO 0.00 0.35 -0.94 0.00 -1.14 0.00 0.00 176.83 175.10 3k72 n ALA 550 N -2.31 3.48 -2.38 3.77 0.00 -1.26 -4.03 120.51 117.78 3k72 n ALA 550 Ca 0.06 -3.10 -0.19 0.00 0.00 0.00 0.00 53.44 50.20 3k72 n ALA 550 Cb 0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 3k72 n ALA 550 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k72 h GLN 552 N -0.02 1.21 -4.79 0.00 3.07 -1.82 -2.73 115.11 110.03 3k72 h GLN 552 Ca -0.46 -0.16 -0.73 0.00 0.09 0.00 0.00 58.65 57.39 3k72 h GLN 552 Cb 1.34 -0.22 -0.15 0.00 0.08 0.00 0.00 27.48 28.53 3k72 h GLN 552 CO 0.54 0.91 1.70 0.00 0.09 0.00 0.00 178.83 182.07 3k72 h GLU 554 N 6.99 -0.06 -6.02 0.00 4.81 -1.69 -3.20 114.58 115.41 3k72 h GLU 554 Ca 0.37 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.92 3k72 h GLU 554 Cb 0.83 0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.03 3k72 h GLU 554 CO 1.37 -0.04 -0.69 1.03 -0.73 0.00 0.00 179.01 179.94 3k72 s ARG 555 N -6.15 2.88 0.00 1.92 0.52 -1.26 -3.92 118.95 112.93 3k72 s ARG 555 Ca -0.14 -0.55 0.30 0.00 -0.52 0.00 0.00 55.73 54.81 3k72 s ARG 555 Cb 0.18 -2.63 1.47 0.00 0.52 0.00 0.00 34.95 34.50 3k72 s ARG 555 CO 0.72 0.60 1.98 -2.37 0.02 0.00 0.00 175.30 176.26 3k72 n THR 556 N 2.41 0.00 -0.53 0.02 5.66 0.38 -4.64 114.28 117.59 3k72 n THR 556 Ca -0.18 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 3k72 n THR 556 Cb 0.53 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 3k72 n THR 556 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3k72 n THR 557 N -0.43 0.00 -3.24 1.09 -2.24 -1.26 -5.06 114.28 103.14 3k72 n THR 557 Ca 0.21 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.78 3k72 n THR 557 Cb 0.23 -1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 67.28 3k72 n THR 557 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k72 n GLU 558 N -1.38 0.27 0.00 -0.78 1.02 -1.26 -4.65 120.64 113.86 3k72 n GLU 558 Ca 0.00 -2.91 0.10 0.00 -0.02 0.00 0.00 57.16 54.33 3k72 n GLU 558 Cb 0.00 -1.62 0.55 0.00 -0.02 0.00 0.00 31.44 30.35 3k72 n GLU 558 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k72 n GLY 559 N 2.84 -0.86 0.00 0.62 0.00 -1.26 -2.54 105.19 103.98 3k72 n GLY 559 Ca 0.27 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3k72 n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 s LEU 561 N -2.94 4.58 0.00 0.00 1.43 -1.05 -1.82 118.68 118.88 3k72 s LEU 561 Ca 0.07 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 3k72 s LEU 561 Cb 0.08 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.94 3k72 s LEU 561 CO 0.21 0.14 0.24 -0.46 0.23 0.00 0.00 176.35 176.72 3k72 n ASN 562 N 1.85 0.46 0.26 2.29 0.23 -1.26 -4.89 115.26 114.20 3k72 n ASN 562 Ca -0.04 -1.36 0.09 0.00 -0.53 0.00 0.00 54.58 52.74 3k72 n ASN 562 Cb 0.48 -0.15 0.66 0.00 -2.08 0.00 0.00 39.78 38.69 3k72 n ASN 562 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3k72 h PRO 563 N 0.00 0.00 0.00 -0.53 0.11 -1.98 -0.02 132.00 129.58 3k72 h PRO 563 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3k72 h PRO 563 Cb 0.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 3k72 h PRO 563 CO 0.10 0.04 -0.01 0.00 -0.21 0.00 0.00 178.00 177.92 3k72 h ARG 564 N 0.00 0.00 -4.46 1.05 2.47 -2.02 -3.45 114.38 107.97 3k72 h ARG 564 Ca -0.00 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.33 3k72 h ARG 564 Cb 0.07 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 28.46 3k72 h ARG 564 CO 0.00 0.01 -0.59 0.54 0.56 0.00 0.00 179.97 180.49 3k72 n ARG 565 N -3.20 -5.10 -4.85 0.04 5.12 -0.02 -5.01 116.66 103.63 3k72 n ARG 565 Ca -0.02 0.87 -0.31 0.00 -1.93 0.00 0.00 57.85 56.46 3k72 n ARG 565 Cb 0.13 -5.67 -0.17 0.00 -1.16 0.00 0.00 32.46 25.59 3k72 n ARG 565 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3k72 s VAL 566 N -3.18 1.83 0.11 1.55 0.11 -1.26 -4.91 120.40 114.65 3k72 s VAL 566 Ca 0.33 -0.87 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 3k72 s VAL 566 Cb -0.14 -1.62 -0.10 0.00 -1.53 0.00 0.00 36.38 32.99 3k72 s VAL 566 CO 0.40 0.51 1.79 -1.61 -3.33 0.00 0.00 175.10 172.86 3k72 s GLU 567 N 0.63 4.15 -1.43 1.54 2.02 -1.26 -2.92 118.70 121.43 3k72 s GLU 567 Ca -0.13 2.53 -0.01 0.00 0.02 0.00 0.00 54.97 57.38 3k72 s GLU 567 Cb -0.16 -3.61 0.01 0.00 0.10 0.00 0.00 34.13 30.46 3k72 s GLU 567 CO 0.03 -0.82 0.11 0.00 0.02 0.00 0.00 175.26 174.61 3k72 n SER 569 N -2.02 0.00 0.06 0.00 7.64 -1.13 -3.16 113.62 115.02 3k72 n SER 569 Ca -0.17 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.67 3k72 n SER 569 Cb 0.64 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 3k72 n SER 569 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3k72 h GLY 570 N 0.00 -0.22 -4.98 0.23 0.00 -1.58 -3.40 103.07 93.12 3k72 h GLY 570 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 3k72 h GLY 570 CO 0.00 -0.08 -0.70 0.50 0.00 0.00 0.00 176.54 176.26 3k72 s ARG 571 N -2.19 0.31 0.00 4.80 1.81 -1.19 -4.38 118.95 118.11 3k72 s ARG 571 Ca -0.03 -0.60 0.00 0.00 -1.72 0.00 0.00 55.73 53.37 3k72 s ARG 571 Cb 0.00 0.09 0.00 0.00 -0.45 0.00 0.00 34.95 34.59 3k72 s ARG 571 CO 0.09 -0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.08 3k72 n GLY 572 N 1.62 2.94 3.64 -3.53 0.00 -1.24 -3.59 105.19 105.03 3k72 n GLY 572 Ca -0.24 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 3k72 n GLY 572 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k72 n ARG 573 N 0.00 0.69 -3.35 1.61 0.63 -1.26 -4.31 116.66 110.67 3k72 n ARG 573 Ca 0.00 0.29 -0.45 0.00 -0.92 0.00 0.00 57.85 56.77 3k72 n ARG 573 Cb 0.00 -2.27 -0.01 0.00 0.45 0.00 0.00 32.46 30.63 3k72 n ARG 573 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k72 s ARG 575 N -0.68 3.31 -1.21 0.00 0.52 -0.51 -4.60 118.95 115.79 3k72 s ARG 575 Ca 0.25 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 3k72 s ARG 575 Cb -0.10 -3.82 -0.00 0.00 0.52 0.00 0.00 34.95 31.55 3k72 s ARG 575 CO -0.08 -0.53 0.96 0.00 0.02 0.00 0.00 175.30 175.67 3k72 n ASN 577 N -3.12 -5.41 -4.06 0.00 3.02 -1.26 -4.90 115.26 99.53 3k72 n ASN 577 Ca -0.29 -0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 53.90 3k72 n ASN 577 Cb 0.67 -4.41 -0.11 0.00 -0.61 0.00 0.00 39.78 35.32 3k72 n ASN 577 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k72 s VAL 578 N -3.07 0.40 0.01 2.41 1.01 -0.84 -4.60 120.40 115.73 3k72 s VAL 578 Ca 0.28 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3k72 s VAL 578 Cb -0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3k72 s VAL 578 CO 0.34 -0.57 -0.04 0.00 0.00 0.00 0.00 175.10 174.83 3k72 n GLU 580 N 1.38 3.96 -1.65 0.00 2.13 -1.00 -4.94 120.64 120.52 3k72 n GLU 580 Ca -0.15 -4.62 -0.50 0.00 0.66 0.00 0.00 57.16 52.56 3k72 n GLU 580 Cb 0.52 -2.42 -0.05 0.00 0.27 0.00 0.00 31.44 29.76 3k72 n GLU 580 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3k72 s HIS 582 N 1.71 2.33 0.00 0.00 2.46 -1.24 -4.66 115.29 115.89 3k72 s HIS 582 Ca 0.85 1.38 0.00 0.00 0.47 0.00 0.00 55.06 57.76 3k72 s HIS 582 Cb -0.81 -3.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.51 3k72 s HIS 582 CO 0.46 -2.27 0.00 0.45 -2.47 0.00 0.00 174.74 170.91 3k72 n SER 583 N -3.82 0.00 -0.59 9.88 2.88 -1.26 -2.57 113.62 118.14 3k72 n SER 583 Ca 0.08 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.69 3k72 n SER 583 Cb 0.54 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.24 3k72 n SER 583 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k72 n GLY 584 N 0.00 0.45 3.72 0.46 0.00 -1.26 -4.92 105.19 103.63 3k72 n GLY 584 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 3k72 n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k72 n TYR 585 N 0.40 2.61 -3.80 1.61 4.01 -1.06 -4.42 117.16 116.51 3k72 n TYR 585 Ca 0.13 0.36 -0.24 0.00 -0.16 0.00 0.00 57.90 58.00 3k72 n TYR 585 Cb 0.30 -2.53 -0.03 0.00 -0.31 0.00 0.00 39.34 36.77 3k72 n TYR 585 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3k72 s GLN 586 N -0.81 2.36 0.74 -0.72 -1.52 -0.75 -4.63 119.66 114.33 3k72 s GLN 586 Ca 0.63 -1.78 -0.12 0.00 -1.95 0.00 0.00 55.36 52.14 3k72 s GLN 586 Cb -0.54 -2.19 0.04 0.00 -0.22 0.00 0.00 33.01 30.09 3k72 s GLN 586 CO 0.52 -0.34 1.13 -0.51 -0.25 0.00 0.00 175.29 175.84 3k72 s LEU 587 N -4.14 2.75 -0.03 2.90 1.02 -1.26 -2.11 118.68 117.80 3k72 s LEU 587 Ca 0.42 1.01 -0.02 0.00 0.02 0.00 0.00 54.13 55.57 3k72 s LEU 587 Cb -0.01 -3.70 -0.27 0.00 0.02 0.00 0.00 46.19 42.23 3k72 s LEU 587 CO 0.24 -1.55 0.71 1.55 0.02 0.00 0.00 176.35 177.32 3k72 h PRO 588 N -0.81 0.22 -0.50 1.29 0.14 -1.99 -3.43 132.00 126.92 3k72 h PRO 588 Ca -0.45 -0.37 0.00 0.00 0.14 0.00 0.00 66.00 65.31 3k72 h PRO 588 Cb 1.28 0.14 0.00 0.00 0.14 0.00 0.00 31.00 32.56 3k72 h PRO 588 CO 0.64 1.05 0.00 1.28 0.14 0.00 0.00 178.00 181.11 3k72 n LEU 589 N -3.40 3.80 -2.86 1.56 4.77 -1.26 -4.24 117.00 115.36 3k72 n LEU 589 Ca -0.20 -2.28 -0.04 0.00 -0.03 0.00 0.00 56.01 53.46 3k72 n LEU 589 Cb 1.05 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3k72 n LEU 589 CO 0.48 0.80 0.17 0.00 -1.33 0.00 0.00 177.39 177.51 3k72 n GLN 591 N -0.93 0.00 -3.32 0.00 0.00 -1.25 -3.47 117.38 108.40 3k72 n GLN 591 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 57.00 56.65 3k72 n GLN 591 Cb 0.46 -0.51 -0.09 0.00 0.00 0.00 0.00 30.24 30.10 3k72 n GLN 591 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3k72 s GLU 592 N -1.71 3.50 -0.86 2.61 2.02 -1.26 -4.93 118.70 118.07 3k72 s GLU 592 Ca 0.00 -0.38 -0.15 0.00 0.02 0.00 0.00 54.97 54.46 3k72 s GLU 592 Cb 0.00 -3.84 0.20 0.00 0.10 0.00 0.00 34.13 30.60 3k72 s GLU 592 CO 0.00 -0.63 0.85 0.00 0.02 0.00 0.00 175.26 175.50 3k72 h PRO 594 N 7.95 0.00 0.00 0.00 0.11 -1.95 -2.32 132.00 135.78 3k72 h PRO 594 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3k72 h PRO 594 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3k72 h PRO 594 CO 0.83 0.00 -1.31 0.41 -0.21 0.00 0.00 178.00 177.72 3k72 n GLY 595 N -1.32 -1.07 3.73 -0.55 0.00 -1.26 -4.96 105.19 99.77 3k72 n GLY 595 Ca 0.01 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3k72 n GLY 595 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 h PRO 597 N 5.42 -0.16 0.00 0.00 0.14 -1.93 -3.47 132.00 132.01 3k72 h PRO 597 Ca -0.46 0.01 0.00 0.00 0.14 0.00 0.00 66.00 65.70 3k72 h PRO 597 Cb 1.22 0.04 0.00 0.00 0.14 0.00 0.00 31.00 32.40 3k72 h PRO 597 CO 0.85 -0.11 0.00 0.45 0.14 0.00 0.00 178.00 179.33 3k72 n SER 598 N -5.21 0.00 -4.55 1.44 2.88 -1.26 -5.04 113.62 101.88 3k72 n SER 598 Ca -0.06 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.09 3k72 n SER 598 Cb 0.14 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 3k72 n SER 598 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3k72 n PRO 599 N 0.00 1.17 -0.00 -1.46 -0.04 -1.26 -4.73 135.00 128.68 3k72 n PRO 599 Ca 0.00 0.15 0.02 0.00 -0.04 0.00 0.00 63.50 63.62 3k72 n PRO 599 Cb 0.00 -3.15 -0.12 0.00 -0.04 0.00 0.00 33.50 30.19 3k72 n PRO 599 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k72 n GLY 601 N 1.42 -0.51 4.03 0.00 0.00 -1.26 -1.87 105.19 107.00 3k72 n GLY 601 Ca -0.13 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3k72 n GLY 601 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k72 n LYS 602 N -2.06 0.00 -0.01 1.61 5.02 -1.26 -4.62 118.16 116.84 3k72 n LYS 602 Ca 0.13 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.49 3k72 n LYS 602 Cb 0.50 -3.11 -0.13 0.00 -0.02 0.00 0.00 35.03 32.27 3k72 n LYS 602 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3k72 n TYR 603 N -2.00 0.00 -0.30 2.13 4.01 -0.78 -4.45 117.16 115.77 3k72 n TYR 603 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3k72 n TYR 603 Cb 0.00 -0.38 0.07 0.00 -0.31 0.00 0.00 39.34 38.72 3k72 n TYR 603 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3k72 h ILE 604 N 0.00 1.25 -0.48 -0.72 1.08 -1.79 0.08 117.51 116.93 3k72 h ILE 604 Ca -0.01 -0.70 0.04 0.00 -0.39 0.00 0.00 64.86 63.81 3k72 h ILE 604 Cb 0.76 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 3k72 h ILE 604 CO 0.00 0.30 0.32 -1.28 -0.69 0.00 0.00 178.15 176.80 3k72 h SER 605 N 1.15 0.42 0.70 1.72 0.87 -1.91 -1.98 113.55 114.51 3k72 h SER 605 Ca 0.28 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3k72 h SER 605 Cb 0.11 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3k72 h SER 605 CO -0.04 0.28 -1.26 0.00 -0.53 0.00 0.00 176.83 175.29 3k72 h ALA 607 N 2.04 0.76 -0.19 0.00 0.00 -0.25 -2.50 119.26 119.13 3k72 h ALA 607 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3k72 h ALA 607 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3k72 h ALA 607 CO 0.00 0.67 0.00 -0.85 0.00 0.00 0.00 179.25 179.07 3k72 n GLU 608 N -3.98 1.69 0.00 0.00 0.28 -0.98 -3.30 120.64 114.36 3k72 n GLU 608 Ca -0.03 -1.05 0.08 0.00 -0.16 0.00 0.00 57.16 56.01 3k72 n GLU 608 Cb 0.57 -1.36 -0.09 0.00 1.43 0.00 0.00 31.44 31.99 3k72 n GLU 608 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k72 n LEU 610 N -1.26 0.53 0.04 0.00 4.77 -1.12 -4.83 117.00 115.12 3k72 n LEU 610 Ca 0.04 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 3k72 n LEU 610 Cb 0.29 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3k72 n LEU 610 CO 0.34 -0.53 0.35 0.50 -1.33 0.00 0.00 177.39 176.73 3k72 h LYS 611 N -0.14 -0.09 -7.37 3.23 1.63 -1.84 -3.44 116.57 108.55 3k72 h LYS 611 Ca 0.00 0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 59.30 3k72 h LYS 611 Cb 0.14 0.02 0.07 0.00 -0.60 0.00 0.00 32.23 31.86 3k72 h LYS 611 CO 0.00 -0.06 0.41 -0.06 -3.45 0.00 0.00 179.45 176.28 3k72 s PHE 612 N -2.62 3.45 -0.70 1.91 0.40 -1.26 -5.02 117.98 114.13 3k72 s PHE 612 Ca -0.01 1.29 0.05 0.00 -0.60 0.00 0.00 56.93 57.65 3k72 s PHE 612 Cb 0.00 -2.81 0.26 0.00 0.51 0.00 0.00 43.02 40.98 3k72 s PHE 612 CO 0.04 -0.90 0.87 0.39 0.70 0.00 0.00 175.22 176.31 3k72 n GLU 613 N -2.89 2.85 -1.62 0.44 -0.58 -1.23 -3.42 120.64 114.20 3k72 n GLU 613 Ca 0.06 -4.67 -0.31 0.00 -0.42 0.00 0.00 57.16 51.82 3k72 n GLU 613 Cb 0.54 -2.30 0.06 0.00 -0.57 0.00 0.00 31.44 29.17 3k72 n GLU 613 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3k72 n LYS 614 N 0.87 3.02 -1.44 3.49 4.81 -0.17 -4.98 118.16 123.76 3k72 n LYS 614 Ca 0.30 -3.63 -0.00 0.00 -0.87 0.00 0.00 58.31 54.11 3k72 n LYS 614 Cb 0.40 -2.28 -0.00 0.00 0.02 0.00 0.00 35.03 33.16 3k72 n LYS 614 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k72 n GLY 615 N -0.82 -3.11 3.52 3.14 0.00 -1.26 -4.86 105.19 101.80 3k72 n GLY 615 Ca 0.56 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 3k72 n GLY 615 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k72 n PRO 616 N 0.15 1.29 0.00 1.61 -0.04 -1.26 -4.84 135.00 131.90 3k72 n PRO 616 Ca -0.02 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 3k72 n PRO 616 Cb 0.04 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 3k72 n PRO 616 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3k72 n PHE 617 N 11.62 0.00 -0.33 0.54 0.99 -1.26 -4.11 117.46 124.91 3k72 n PHE 617 Ca 0.38 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.93 3k72 n PHE 617 Cb 0.35 0.00 0.21 0.00 -1.00 0.00 0.00 39.48 39.03 3k72 n PHE 617 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3k72 n GLY 618 N 1.32 -1.43 0.00 1.37 0.00 -1.26 -4.69 105.19 100.50 3k72 n GLY 618 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.99 3k72 n GLY 618 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k72 n LYS 619 N -5.47 0.00 0.00 1.61 5.02 -1.26 -5.16 118.16 112.90 3k72 n LYS 619 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3k72 n LYS 619 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 3k72 n LYS 619 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k72 n ASN 620 N 0.00 0.81 -3.47 4.39 5.15 -1.26 -4.67 115.26 116.21 3k72 n ASN 620 Ca 0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.77 3k72 n ASN 620 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 3k72 n ASN 620 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k72 n SER 622 N -1.58 -5.13 0.00 0.00 7.64 -1.26 -4.61 113.62 108.68 3k72 n SER 622 Ca -0.06 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3k72 n SER 622 Cb 0.49 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.79 3k72 n SER 622 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k72 n ALA 623 N 1.06 2.73 -0.29 -0.43 0.00 -1.26 -4.76 120.51 117.56 3k72 n ALA 623 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.48 3k72 n ALA 623 Cb 0.39 0.06 0.30 0.00 0.00 0.00 0.00 19.45 20.20 3k72 n ALA 623 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k72 n ALA 624 N -2.30 3.16 -3.00 0.00 0.00 -1.26 -4.49 120.51 112.61 3k72 n ALA 624 Ca 0.00 -1.35 -0.15 0.00 0.00 0.00 0.00 53.44 51.93 3k72 n ALA 624 Cb 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3k72 n ALA 624 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k72 n PRO 626 N 0.76 0.27 -1.37 0.00 -0.04 -1.26 -3.95 135.00 129.41 3k72 n PRO 626 Ca 0.17 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.24 3k72 n PRO 626 Cb 0.64 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 33.03 3k72 n PRO 626 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k72 n GLY 627 N -0.03 4.14 0.37 0.55 0.00 -1.26 -4.59 105.19 104.37 3k72 n GLY 627 Ca 0.00 -1.46 0.16 0.00 0.00 0.00 0.00 46.02 44.72 3k72 n GLY 627 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k72 h LEU 628 N 8.16 0.25 -9.75 0.99 5.85 -1.78 -3.43 115.31 115.60 3k72 h LEU 628 Ca 0.75 0.01 -0.57 0.00 0.84 0.00 0.00 57.88 58.91 3k72 h LEU 628 Cb 0.38 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3k72 h LEU 628 CO 1.79 0.14 -0.07 -1.10 -0.34 0.00 0.00 178.44 178.86 3k72 s GLN 629 N -5.27 4.08 -0.37 1.25 -0.21 -1.26 -5.01 119.66 112.88 3k72 s GLN 629 Ca -0.07 0.60 0.13 0.00 0.02 0.00 0.00 55.36 56.04 3k72 s GLN 629 Cb 0.20 -3.11 0.37 0.00 1.00 0.00 0.00 33.01 31.47 3k72 s GLN 629 CO 0.75 0.58 0.81 -0.11 -2.12 0.00 0.00 175.29 175.20 3k72 n LEU 630 N 1.36 0.69 -4.46 2.90 7.94 -1.26 -2.71 117.00 121.46 3k72 n LEU 630 Ca -0.09 -4.65 -0.47 0.00 -1.11 0.00 0.00 56.01 49.69 3k72 n LEU 630 Cb 0.51 0.67 -0.03 0.00 0.53 0.00 0.00 43.42 45.10 3k72 n LEU 630 CO 0.41 2.13 0.17 -1.54 -1.11 0.00 0.00 177.39 177.45 3k72 n SER 631 N 0.21 -0.46 -2.62 1.96 3.41 -1.12 -4.82 113.62 110.17 3k72 n SER 631 Ca 0.20 1.15 -0.27 0.00 -0.26 0.00 0.00 58.87 59.69 3k72 n SER 631 Cb 0.70 -1.05 -0.07 0.00 -0.26 0.00 0.00 64.21 63.53 3k72 n SER 631 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k72 n ASN 632 N 1.76 6.65 -3.99 4.04 3.02 -1.26 -4.51 115.26 120.98 3k72 n ASN 632 Ca 0.15 -3.02 -0.09 0.00 -0.03 0.00 0.00 54.58 51.59 3k72 n ASN 632 Cb 0.27 -1.31 -0.08 0.00 -0.61 0.00 0.00 39.78 38.05 3k72 n ASN 632 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3k72 s ASN 633 N 0.77 0.22 -1.10 6.41 0.01 -1.26 -5.07 114.94 114.92 3k72 s ASN 633 Ca 0.60 -0.88 -0.07 0.00 -0.71 0.00 0.00 52.86 51.79 3k72 s ASN 633 Cb 0.32 0.32 -0.06 0.00 0.41 0.00 0.00 41.25 42.24 3k72 s ASN 633 CO -0.15 -0.74 2.32 -2.65 -1.51 0.00 0.00 177.10 174.37 3k72 n PRO 634 N -0.07 2.48 -1.15 -0.60 -0.02 -1.26 -4.74 135.00 129.65 3k72 n PRO 634 Ca -0.11 -1.67 -0.31 0.00 -2.02 0.00 0.00 63.50 59.39 3k72 n PRO 634 Cb 0.62 -2.56 0.11 0.00 -0.02 0.00 0.00 33.50 31.65 3k72 n PRO 634 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k72 s VAL 635 N 3.15 3.00 0.28 -1.45 -7.23 -1.26 -5.05 120.40 111.83 3k72 s VAL 635 Ca 0.48 0.33 -0.09 0.00 -1.81 0.00 0.00 61.98 60.88 3k72 s VAL 635 Cb 0.12 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 34.36 3k72 s VAL 635 CO -0.04 -0.43 0.53 0.29 -0.31 0.00 0.00 175.10 175.15 3k72 n LYS 636 N -3.72 0.76 0.00 4.82 5.02 -1.26 -4.80 118.16 118.98 3k72 n LYS 636 Ca 0.09 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 3k72 n LYS 636 Cb 0.53 1.99 0.00 0.00 -0.02 0.00 0.00 35.03 37.54 3k72 n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k72 n GLY 637 N -0.39 2.99 2.81 0.72 0.00 -1.26 -4.34 105.19 105.72 3k72 n GLY 637 Ca -0.05 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 3k72 n GLY 637 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k72 n ARG 638 N 0.00 3.76 -1.54 1.61 5.12 -1.23 -4.99 116.66 119.39 3k72 n ARG 638 Ca 0.00 -4.60 -0.33 0.00 -1.93 0.00 0.00 57.85 50.99 3k72 n ARG 638 Cb 0.00 -2.42 -0.06 0.00 -1.16 0.00 0.00 32.46 28.82 3k72 n ARG 638 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3k72 n THR 639 N 1.20 -0.06 -4.02 0.55 5.66 -1.26 -2.33 114.28 114.02 3k72 n THR 639 Ca 0.27 -0.63 -0.26 0.00 -3.05 0.00 0.00 64.05 60.38 3k72 n THR 639 Cb 0.36 -2.26 -0.04 0.00 -1.55 0.00 0.00 70.33 66.84 3k72 n THR 639 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k72 s LYS 641 N -3.21 0.82 0.00 0.00 2.20 -1.26 -2.43 119.74 115.86 3k72 s LYS 641 Ca 0.33 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 3k72 s LYS 641 Cb -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 3k72 s LYS 641 CO 0.26 -1.06 0.00 0.39 -0.36 0.00 0.00 175.35 174.58 3k72 n GLU 642 N 3.33 2.27 -2.82 4.03 -0.58 -1.22 -4.96 120.64 120.68 3k72 n GLU 642 Ca 0.14 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.67 3k72 n GLU 642 Cb 0.58 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.54 3k72 n GLU 642 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3k72 n ARG 643 N -0.17 0.32 0.00 3.49 1.74 -1.26 -1.01 116.66 119.77 3k72 n ARG 643 Ca 0.00 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 3k72 n ARG 643 Cb 0.00 -0.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 3k72 n ARG 643 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3k72 n ASP 644 N -2.56 0.53 0.14 0.55 5.75 -0.07 -4.55 116.55 116.34 3k72 n ASP 644 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 3k72 n ASP 644 Cb 0.60 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.83 3k72 n ASP 644 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3k72 h SER 645 N 0.00 0.00 -2.05 -1.12 4.64 -1.90 -3.40 113.55 109.72 3k72 h SER 645 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3k72 h SER 645 Cb 0.00 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.75 3k72 h SER 645 CO 0.00 0.60 -0.89 -0.62 -0.87 0.00 0.00 176.83 175.05 3k72 n GLU 646 N -3.53 0.29 0.00 4.77 1.02 -1.26 -5.04 120.64 116.90 3k72 n GLU 646 Ca -0.00 -2.95 0.00 0.00 -0.02 0.00 0.00 57.16 54.19 3k72 n GLU 646 Cb 0.67 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 3k72 n GLU 646 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k72 n GLY 647 N 2.74 2.10 3.73 0.62 0.00 -1.26 -5.01 105.19 108.10 3k72 n GLY 647 Ca 0.27 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3k72 n GLY 647 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 s TRP 649 N 0.18 2.17 -0.35 0.00 0.51 -1.12 -0.89 118.94 119.45 3k72 s TRP 649 Ca 0.67 0.55 -0.18 0.00 -2.12 0.00 0.00 56.10 55.01 3k72 s TRP 649 Cb -0.52 -4.32 -0.00 0.00 -0.81 0.00 0.00 33.47 27.81 3k72 s TRP 649 CO 0.46 -2.12 0.53 0.08 -0.51 0.00 0.00 176.95 175.39 3k72 s VAL 650 N 6.44 5.00 0.40 4.03 1.01 -0.18 -3.87 120.40 133.23 3k72 s VAL 650 Ca 0.58 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.85 3k72 s VAL 650 Cb -0.13 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 3k72 s VAL 650 CO 0.26 -0.22 0.78 0.00 0.00 0.00 0.00 175.10 175.93 3k72 s ALA 651 N 2.44 3.33 0.00 5.51 0.00 -1.26 -3.38 121.76 128.39 3k72 s ALA 651 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3k72 s ALA 651 Cb -0.15 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.23 3k72 s ALA 651 CO 0.13 0.02 0.00 2.48 0.00 0.00 0.00 175.76 178.39 3k72 n TYR 652 N -1.20 0.00 -1.77 0.00 4.11 -1.02 -1.56 117.16 115.72 3k72 n TYR 652 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.65 3k72 n TYR 652 Cb 0.54 0.00 0.20 0.00 -0.00 0.00 0.00 39.34 40.08 3k72 n TYR 652 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3k72 n THR 653 N -0.02 0.00 -3.20 -3.48 -2.24 -1.23 -2.11 114.28 102.00 3k72 n THR 653 Ca 0.00 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3k72 n THR 653 Cb 0.00 -1.50 -0.01 0.00 -2.10 0.00 0.00 70.33 66.72 3k72 n THR 653 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k72 s LEU 654 N 0.00 -1.49 -0.62 3.22 2.96 -0.98 -4.07 118.68 117.70 3k72 s LEU 654 Ca 0.71 -0.85 -0.21 0.00 -0.22 0.00 0.00 54.13 53.55 3k72 s LEU 654 Cb -0.02 1.92 0.08 0.00 0.50 0.00 0.00 46.19 48.66 3k72 s LEU 654 CO 0.50 -0.17 0.87 -0.70 -1.32 0.00 0.00 176.35 175.53 3k72 s GLU 655 N 1.79 3.11 0.82 1.98 2.12 -0.64 -3.55 118.70 124.34 3k72 s GLU 655 Ca 0.17 -0.91 -0.10 0.00 0.36 0.00 0.00 54.97 54.48 3k72 s GLU 655 Cb -0.04 -4.21 0.09 0.00 0.26 0.00 0.00 34.13 30.23 3k72 s GLU 655 CO -0.07 -1.67 1.11 -1.14 -0.54 0.00 0.00 175.26 172.96 3k72 s GLN 656 N 3.58 1.81 -0.20 4.30 0.74 -1.26 -2.15 119.66 126.48 3k72 s GLN 656 Ca 0.20 1.32 -0.07 0.00 0.05 0.00 0.00 55.36 56.85 3k72 s GLN 656 Cb -0.19 -1.84 0.09 0.00 1.10 0.00 0.00 33.01 32.18 3k72 s GLN 656 CO 0.10 -2.00 0.42 -0.65 -0.55 0.00 0.00 175.29 172.61 3k72 s GLN 657 N -4.79 0.33 6.40 1.67 -1.52 -1.08 -4.89 119.66 115.77 3k72 s GLN 657 Ca 0.63 1.05 0.00 0.00 -1.95 0.00 0.00 55.36 55.09 3k72 s GLN 657 Cb -0.19 0.35 0.00 0.00 -0.22 0.00 0.00 33.01 32.94 3k72 s GLN 657 CO 0.56 -0.25 0.00 -0.25 -0.25 0.00 0.00 175.29 175.10 3k72 n ASP 658 N 5.39 0.00 -4.76 5.90 8.00 -1.26 -4.61 116.55 125.20 3k72 n ASP 658 Ca -0.09 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.05 3k72 n ASP 658 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 3k72 n ASP 658 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3k72 s GLY 659 N 0.00 2.16 0.00 0.44 0.00 -1.26 -3.18 107.32 105.49 3k72 s GLY 659 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3k72 s GLY 659 CO 0.00 0.17 0.00 1.03 0.00 0.00 0.00 173.10 174.30 3k72 n MET 660 N 3.15 0.00 -1.91 2.90 2.81 -1.26 -2.80 117.12 120.01 3k72 n MET 660 Ca -0.15 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.39 3k72 n MET 660 Cb 0.52 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.02 3k72 n MET 660 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3k72 n ASP 661 N 1.63 7.30 -4.69 7.83 8.00 -1.26 -4.92 116.55 130.45 3k72 n ASP 661 Ca 0.00 -3.36 -0.35 0.00 0.71 0.00 0.00 54.79 51.79 3k72 n ASP 661 Cb 0.00 -1.24 -0.09 0.00 -0.02 0.00 0.00 41.12 39.77 3k72 n ASP 661 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3k72 s ARG 662 N -2.34 3.83 0.32 -1.24 1.81 -1.12 -4.46 118.95 115.76 3k72 s ARG 662 Ca 0.53 -0.30 0.05 0.00 -1.72 0.00 0.00 55.73 54.29 3k72 s ARG 662 Cb 0.30 -3.20 -0.03 0.00 -0.45 0.00 0.00 34.95 31.57 3k72 s ARG 662 CO -0.20 0.40 0.30 0.71 -0.68 0.00 0.00 175.30 175.83 3k72 s TYR 663 N 0.04 1.62 -0.26 -0.53 2.02 -1.26 -2.64 117.35 116.33 3k72 s TYR 663 Ca 0.07 -1.59 -0.03 0.00 -0.37 0.00 0.00 57.07 55.14 3k72 s TYR 663 Cb -0.12 -0.61 0.15 0.00 -0.40 0.00 0.00 41.96 40.98 3k72 s TYR 663 CO 0.01 -0.90 0.46 -1.17 -1.57 0.00 0.00 175.55 172.38 3k72 s LEU 664 N -3.34 -0.89 0.17 -1.29 2.96 -0.91 -3.98 118.68 111.39 3k72 s LEU 664 Ca 0.39 0.58 0.11 0.00 -0.22 0.00 0.00 54.13 54.99 3k72 s LEU 664 Cb 0.02 1.52 -0.04 0.00 0.50 0.00 0.00 46.19 48.19 3k72 s LEU 664 CO 0.26 -0.28 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.14 3k72 s ILE 665 N 2.67 2.39 -0.30 6.68 1.09 -1.10 -1.62 121.20 131.02 3k72 s ILE 665 Ca 0.13 -1.90 -0.00 0.00 -1.10 0.00 0.00 60.65 57.77 3k72 s ILE 665 Cb -0.15 -2.12 0.09 0.00 -1.06 0.00 0.00 42.46 39.23 3k72 s ILE 665 CO -0.17 -0.04 0.07 -0.47 -0.10 0.00 0.00 174.94 174.23 3k72 s TYR 666 N -1.46 1.96 -0.38 3.97 5.04 -1.26 -2.78 117.35 122.46 3k72 s TYR 666 Ca 0.19 -1.82 -0.28 0.00 -2.44 0.00 0.00 57.07 52.71 3k72 s TYR 666 Cb -0.09 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.45 3k72 s TYR 666 CO 0.09 -0.86 1.06 0.08 -1.34 0.00 0.00 175.55 174.58 3k72 s VAL 667 N 1.53 4.44 0.19 3.14 1.01 -1.26 -3.52 120.40 125.93 3k72 s VAL 667 Ca 0.08 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.20 3k72 s VAL 667 Cb -0.18 -4.45 -0.16 0.00 0.00 0.00 0.00 36.38 31.59 3k72 s VAL 667 CO -0.20 -0.65 0.95 -0.67 0.00 0.00 0.00 175.10 174.53 3k72 n ASP 668 N 7.13 0.51 -3.83 3.32 2.03 -0.60 -4.80 116.55 120.31 3k72 n ASP 668 Ca 0.11 1.15 -0.42 0.00 0.52 0.00 0.00 54.79 56.15 3k72 n ASP 668 Cb 0.48 -1.13 -0.01 0.00 -0.72 0.00 0.00 41.12 39.74 3k72 n ASP 668 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3k72 n GLU 669 N 1.30 2.75 -3.58 -0.67 0.28 -1.26 -4.77 120.64 114.70 3k72 n GLU 669 Ca 0.15 -2.61 -0.06 0.00 -0.16 0.00 0.00 57.16 54.48 3k72 n GLU 669 Cb 0.24 -3.29 -0.03 0.00 1.43 0.00 0.00 31.44 29.80 3k72 n GLU 669 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3k72 s SER 670 N 3.51 -0.22 0.31 -1.84 0.15 -1.26 -5.17 113.70 109.18 3k72 s SER 670 Ca 0.49 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 57.21 3k72 s SER 670 Cb 0.13 0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 3k72 s SER 670 CO -0.05 -0.31 0.39 -0.13 1.20 0.00 0.00 173.24 174.34 3k72 s ARG 671 N -2.11 1.73 -0.40 5.44 0.52 -1.26 -4.52 118.95 118.35 3k72 s ARG 671 Ca 0.06 -1.72 0.05 0.00 -0.52 0.00 0.00 55.73 53.61 3k72 s ARG 671 Cb -0.01 0.40 0.17 0.00 0.52 0.00 0.00 34.95 36.03 3k72 s ARG 671 CO -0.05 -0.69 0.51 -1.21 0.02 0.00 0.00 175.30 173.88 3k72 s GLU 672 N -3.41 0.76 0.00 3.54 2.02 -1.25 -4.88 118.70 115.48 3k72 s GLU 672 Ca 0.33 -0.69 0.26 0.00 0.02 0.00 0.00 54.97 54.88 3k72 s GLU 672 Cb 0.01 -0.37 0.61 0.00 0.10 0.00 0.00 34.13 34.49 3k72 s GLU 672 CO 0.19 -1.21 1.50 0.00 0.02 0.00 0.00 175.26 175.75