#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kt3 n GLU 24 N 0.00 0.88 -2.27 1.64 4.07 -1.26 -0.34 120.64 123.36 3kt3 n GLU 24 Ca 0.00 0.32 -0.35 0.00 -0.06 0.00 0.00 57.16 57.07 3kt3 n GLU 24 Cb 0.00 -1.77 -0.00 0.00 -0.06 0.00 0.00 31.44 29.61 3kt3 n GLU 24 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 3kt3 s GLN 25 N -1.86 3.41 -0.11 5.31 -2.07 -1.26 -4.71 119.66 118.37 3kt3 s GLN 25 Ca 0.64 1.62 0.03 0.00 -1.82 0.00 0.00 55.36 55.84 3kt3 s GLN 25 Cb -0.57 -2.04 0.00 0.00 -1.09 0.00 0.00 33.01 29.31 3kt3 s GLN 25 CO 0.56 -0.80 -0.22 0.14 -1.32 0.00 0.00 175.29 173.65 3kt3 s VAL 26 N -1.76 1.99 -0.26 3.63 -7.23 -0.31 -4.94 120.40 111.52 3kt3 s VAL 26 Ca 0.72 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.91 3kt3 s VAL 26 Cb -0.24 -1.74 0.08 0.00 0.56 0.00 0.00 36.38 35.05 3kt3 s VAL 26 CO 0.27 0.54 0.08 -0.69 -0.31 0.00 0.00 175.10 174.99 3kt3 s VAL 27 N 0.56 0.64 0.27 1.32 1.01 -1.26 -0.73 120.40 122.22 3kt3 s VAL 27 Ca -0.14 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.87 3kt3 s VAL 27 Cb -0.17 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 3kt3 s VAL 27 CO 0.04 -0.50 -0.01 0.42 0.00 0.00 0.00 175.10 175.05 3kt3 s THR 28 N 1.76 1.27 -2.00 3.92 -4.23 0.79 -4.97 115.64 112.18 3kt3 s THR 28 Ca 0.05 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3kt3 s THR 28 Cb -0.17 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3kt3 s THR 28 CO -0.20 -0.24 0.37 -2.65 -0.54 0.00 0.00 174.62 171.36 3kt3 n PRO 29 N -0.54 0.01 0.00 3.99 -0.02 -1.04 -3.00 135.00 134.40 3kt3 n PRO 29 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3kt3 n PRO 29 Cb 0.64 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3kt3 n PRO 29 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3kt3 n TRP 30 N -0.87 0.00 -4.24 6.00 8.01 -1.26 -4.96 117.44 120.12 3kt3 n TRP 30 Ca 0.00 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 56.02 3kt3 n TRP 30 Cb 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.17 3kt3 n TRP 30 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3kt3 s ASP 31 N -1.22 1.07 -0.03 -0.99 1.11 -1.16 -5.13 116.67 110.31 3kt3 s ASP 31 Ca 0.00 -0.32 -0.01 0.00 0.18 0.00 0.00 52.55 52.40 3kt3 s ASP 31 Cb 0.00 -0.07 0.03 0.00 1.07 0.00 0.00 42.92 43.95 3kt3 s ASP 31 CO 0.00 0.00 0.02 0.54 1.18 0.00 0.00 175.17 176.92 3kt3 s VAL 32 N -0.64 0.06 -0.12 -1.27 0.11 -1.26 -0.15 120.40 117.14 3kt3 s VAL 32 Ca -0.01 0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.20 3kt3 s VAL 32 Cb -0.06 -0.22 0.05 0.00 -1.53 0.00 0.00 36.38 34.62 3kt3 s VAL 32 CO 0.00 0.15 0.28 -0.70 -3.33 0.00 0.00 175.10 171.51 3kt3 s GLU 33 N 1.47 0.24 0.95 1.54 2.12 0.10 -4.62 118.70 120.50 3kt3 s GLU 33 Ca -0.04 0.59 -0.12 0.00 0.36 0.00 0.00 54.97 55.76 3kt3 s GLU 33 Cb -0.13 -0.10 0.16 0.00 0.26 0.00 0.00 34.13 34.32 3kt3 s GLU 33 CO -0.03 -0.16 1.09 0.20 -0.54 0.00 0.00 175.26 175.82 3kt3 s GLY 34 N 1.31 1.61 0.88 -1.50 0.00 -0.97 -1.16 107.32 107.49 3kt3 s GLY 34 Ca -0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 3kt3 s GLY 34 CO -0.09 0.52 1.09 -0.32 0.00 0.00 0.00 173.10 174.30 3kt3 s GLY 35 N -3.17 1.62 -0.05 0.20 0.00 -1.24 -4.51 107.32 100.17 3kt3 s GLY 35 Ca 0.65 -0.01 0.02 0.00 0.00 0.00 0.00 44.72 45.38 3kt3 s GLY 35 CO 0.58 0.47 -0.09 -1.34 0.00 0.00 0.00 173.10 172.72 3kt3 s VAL 36 N -2.91 0.89 0.25 1.40 -7.23 0.54 -0.13 120.40 113.21 3kt3 s VAL 36 Ca 0.63 -0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 60.41 3kt3 s VAL 36 Cb -0.18 -0.82 0.06 0.00 0.56 0.00 0.00 36.38 35.99 3kt3 s VAL 36 CO 0.57 0.29 0.34 -0.90 -0.31 0.00 0.00 175.10 175.10 3kt3 n ASP 37 N 3.70 0.13 0.26 4.85 5.68 -1.07 -4.59 116.55 125.51 3kt3 n ASP 37 Ca -0.22 -1.19 0.10 0.00 -0.50 0.00 0.00 54.79 52.99 3kt3 n ASP 37 Cb 0.52 -0.25 0.70 0.00 -1.14 0.00 0.00 41.12 40.94 3kt3 n ASP 37 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3kt3 h GLU 38 N 0.00 0.00 -0.72 0.11 9.09 -2.01 -1.81 114.58 119.24 3kt3 h GLU 38 Ca -0.11 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.30 3kt3 h GLU 38 Cb 0.33 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.43 3kt3 h GLU 38 CO 0.09 0.09 0.00 0.00 0.05 0.00 0.00 179.01 179.24 3kt3 n GLN 39 N -4.03 3.62 -1.15 1.06 0.00 -1.26 -4.91 117.38 110.71 3kt3 n GLN 39 Ca -0.02 -2.12 -0.05 0.00 0.00 0.00 0.00 57.00 54.81 3kt3 n GLN 39 Cb 0.18 -2.02 -0.02 0.00 0.00 0.00 0.00 30.24 28.38 3kt3 n GLN 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kt3 n GLY 40 N 0.41 0.70 3.62 2.61 0.00 -0.68 -4.97 105.19 106.88 3kt3 n GLY 40 Ca 0.19 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3kt3 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kt3 s ARG 41 N -1.94 3.93 0.29 1.61 3.52 -1.26 -4.84 118.95 120.26 3kt3 s ARG 41 Ca 0.00 0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 56.06 3kt3 s ARG 41 Cb 0.00 -3.78 -0.11 0.00 -1.56 0.00 0.00 34.95 29.51 3kt3 s ARG 41 CO 0.00 -0.93 1.52 0.00 -0.81 0.00 0.00 175.30 175.08 3kt3 s ALA 42 N 3.54 3.67 0.28 6.12 0.00 -1.26 -2.60 121.76 131.51 3kt3 s ALA 42 Ca 0.41 1.48 0.12 0.00 0.00 0.00 0.00 51.96 53.97 3kt3 s ALA 42 Cb -0.12 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3kt3 s ALA 42 CO 0.18 -0.90 -0.19 1.14 0.00 0.00 0.00 175.76 175.98 3kt3 s GLN 43 N -0.76 1.70 0.52 0.00 -2.07 0.82 -4.98 119.66 114.89 3kt3 s GLN 43 Ca 0.60 -1.77 -0.21 0.00 -1.82 0.00 0.00 55.36 52.15 3kt3 s GLN 43 Cb -0.45 -1.77 -0.06 0.00 -1.09 0.00 0.00 33.01 29.64 3kt3 s GLN 43 CO 0.49 0.32 1.23 -0.80 -1.32 0.00 0.00 175.29 175.21 3kt3 s ASN 44 N -3.52 5.66 0.06 12.60 0.01 -1.26 -3.62 114.94 124.86 3kt3 s ASN 44 Ca 0.30 2.45 -0.32 0.00 -0.71 0.00 0.00 52.86 54.58 3kt3 s ASN 44 Cb -0.05 -2.61 -0.11 0.00 0.41 0.00 0.00 41.25 38.89 3kt3 s ASN 44 CO 0.15 -1.28 1.82 -0.38 -1.51 0.00 0.00 177.10 175.91 3kt3 n ILE 45 N -0.95 0.41 -3.17 0.60 5.41 -0.98 -4.64 119.36 116.05 3kt3 n ILE 45 Ca 0.10 -0.07 -0.43 0.00 1.00 0.00 0.00 62.75 63.34 3kt3 n ILE 45 Cb 0.48 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.36 3kt3 n ILE 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kt3 s ASP 46 N 3.01 6.27 0.10 4.38 2.15 -1.26 -4.94 116.67 126.38 3kt3 s ASP 46 Ca 0.85 -0.55 0.06 0.00 0.43 0.00 0.00 52.55 53.34 3kt3 s ASP 46 Cb -0.57 -2.29 -0.22 0.00 -0.30 0.00 0.00 42.92 39.54 3kt3 s ASP 46 CO 0.42 -0.76 1.20 1.88 -0.17 0.00 0.00 175.17 177.73 3kt3 h TYR 47 N 8.88 0.07 -0.26 -5.34 0.05 -2.00 -3.11 116.97 115.26 3kt3 h TYR 47 Ca -0.26 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.40 3kt3 h TYR 47 Cb 1.10 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 3kt3 h TYR 47 CO 0.71 1.04 -0.12 -0.44 -1.05 0.00 0.00 178.16 178.30 3kt3 h ASP 48 N 0.01 0.42 -0.54 3.88 3.32 -1.99 -1.12 116.42 120.40 3kt3 h ASP 48 Ca -0.06 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 3kt3 h ASP 48 Cb 1.82 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 41.24 3kt3 h ASP 48 CO 0.13 0.57 0.09 0.50 -1.72 0.00 0.00 179.24 178.82 3kt3 h LYS 49 N 0.40 0.89 -0.58 3.56 3.64 -1.98 -1.90 116.57 120.60 3kt3 h LYS 49 Ca 0.08 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 3kt3 h LYS 49 Cb 0.46 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3kt3 h LYS 49 CO 0.03 0.86 0.26 -0.07 -2.27 0.00 0.00 179.45 178.25 3kt3 h LEU 50 N 0.78 0.78 -0.61 5.20 3.38 -1.38 0.78 115.31 124.24 3kt3 h LEU 50 Ca 0.16 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3kt3 h LEU 50 Cb 0.40 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3kt3 h LEU 50 CO 0.01 0.72 0.32 0.40 0.09 0.00 0.00 178.44 179.98 3kt3 h ILE 51 N 0.80 0.94 0.27 1.22 2.04 -1.08 0.17 117.51 121.87 3kt3 h ILE 51 Ca 0.20 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3kt3 h ILE 51 Cb 0.16 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3kt3 h ILE 51 CO -0.02 0.11 -0.13 0.50 0.00 0.00 0.00 178.15 178.61 3kt3 h LYS 52 N 0.60 -0.35 0.00 2.37 1.63 -0.86 -1.54 116.57 118.41 3kt3 h LYS 52 Ca 0.28 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.96 3kt3 h LYS 52 Cb 0.19 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 3kt3 h LYS 52 CO -0.19 -0.11 -0.83 -0.56 -3.45 0.00 0.00 179.45 174.32 3kt3 h GLN 53 N -0.55 0.00 0.00 1.90 3.07 -0.72 -3.16 115.11 115.64 3kt3 h GLN 53 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 3kt3 h GLN 53 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.97 3kt3 h GLN 53 CO 0.06 0.56 -0.45 0.74 0.09 0.00 0.00 178.83 179.82 3kt3 h PHE 54 N 0.00 0.00 0.00 0.06 0.05 -0.77 -3.49 116.94 112.79 3kt3 h PHE 54 Ca -0.05 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.74 3kt3 h PHE 54 Cb 1.52 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.47 3kt3 h PHE 54 CO 0.00 0.02 0.00 0.41 -0.18 0.00 0.00 178.31 178.56 3kt3 n GLY 55 N 1.14 0.43 3.96 -1.45 0.00 -0.63 -5.05 105.19 103.59 3kt3 n GLY 55 Ca 0.02 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 3kt3 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kt3 s THR 56 N -2.00 2.32 -0.13 2.61 -4.23 -0.92 -5.04 115.64 108.25 3kt3 s THR 56 Ca 0.00 -0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3kt3 s THR 56 Cb 0.00 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 3kt3 s THR 56 CO 0.00 0.00 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.28 3kt3 s LYS 57 N -5.14 3.37 0.35 3.99 2.20 -0.57 -4.82 119.74 119.11 3kt3 s LYS 57 Ca 0.62 -0.52 -0.27 0.00 -0.36 0.00 0.00 55.97 55.43 3kt3 s LYS 57 Cb -0.09 -2.81 -0.09 0.00 -1.51 0.00 0.00 37.83 33.33 3kt3 s LYS 57 CO 0.44 0.39 1.20 -1.25 -0.36 0.00 0.00 175.35 175.76 3kt3 s PRO 58 N -0.04 4.30 -0.10 4.03 0.04 -1.26 -0.20 135.00 141.77 3kt3 s PRO 58 Ca 0.01 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 3kt3 s PRO 58 Cb -0.13 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 3kt3 s PRO 58 CO 0.03 -0.15 1.44 0.08 0.04 0.00 0.00 177.00 178.44 3kt3 s VAL 59 N -1.26 3.92 0.16 -0.36 1.01 0.15 -4.81 120.40 119.21 3kt3 s VAL 59 Ca 0.51 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.66 3kt3 s VAL 59 Cb -0.34 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3kt3 s VAL 59 CO 0.44 -0.09 0.06 -0.46 0.00 0.00 0.00 175.10 175.06 3kt3 n ASN 60 N 6.61 0.90 -0.21 3.32 2.04 -1.26 -4.92 115.26 121.74 3kt3 n ASN 60 Ca 0.15 -1.86 0.02 0.00 -0.44 0.00 0.00 54.58 52.45 3kt3 n ASN 60 Cb 0.44 0.44 0.13 0.00 -2.53 0.00 0.00 39.78 38.25 3kt3 n ASN 60 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3kt3 h GLU 61 N 0.00 0.20 -0.89 -3.83 4.39 -1.99 -1.41 114.58 111.05 3kt3 h GLU 61 Ca -0.12 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.62 3kt3 h GLU 61 Cb 0.48 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 3kt3 h GLU 61 CO 0.19 0.13 0.56 0.93 -1.16 0.00 0.00 179.01 179.67 3kt3 h GLU 62 N 0.21 1.01 0.05 2.33 4.39 -1.98 0.88 114.58 121.46 3kt3 h GLU 62 Ca 0.35 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.99 3kt3 h GLU 62 Cb 0.56 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3kt3 h GLU 62 CO -0.48 0.67 -0.08 1.15 -1.16 0.00 0.00 179.01 179.11 3kt3 h THR 63 N 1.04 0.82 -0.44 1.13 2.02 -1.65 -0.06 112.91 115.77 3kt3 h THR 63 Ca 0.38 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.49 3kt3 h THR 63 Cb 0.13 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3kt3 h THR 63 CO -0.16 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.67 3kt3 h LEU 64 N -0.16 0.75 -0.39 2.58 3.38 -1.16 0.09 115.31 120.41 3kt3 h LEU 64 Ca 0.01 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.74 3kt3 h LEU 64 Cb 0.17 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3kt3 h LEU 64 CO -0.04 0.87 0.07 0.50 0.09 0.00 0.00 178.44 179.93 3kt3 h LYS 65 N 0.61 0.19 -0.14 1.13 3.64 -0.69 -1.57 116.57 119.74 3kt3 h LYS 65 Ca 0.13 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 3kt3 h LYS 65 Cb 0.48 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3kt3 h LYS 65 CO 0.02 0.13 -0.58 -0.09 -2.27 0.00 0.00 179.45 176.66 3kt3 h ARG 66 N 0.20 0.44 -0.82 1.90 2.43 -0.80 -2.32 114.38 115.41 3kt3 h ARG 66 Ca 0.19 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3kt3 h ARG 66 Cb 0.22 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 3kt3 h ARG 66 CO -0.25 0.90 0.51 0.35 -1.51 0.00 0.00 179.97 179.97 3kt3 h PHE 67 N 0.33 0.95 -0.11 2.20 3.57 -0.63 -1.64 116.94 121.62 3kt3 h PHE 67 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kt3 h PHE 67 Cb 1.11 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 3kt3 h PHE 67 CO 0.04 0.51 0.05 -0.22 -2.23 0.00 0.00 178.31 176.46 3kt3 h LYS 68 N 0.96 0.16 -0.90 1.11 3.11 -1.05 -2.05 116.57 117.90 3kt3 h LYS 68 Ca 0.35 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.14 3kt3 h LYS 68 Cb 0.10 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.26 3kt3 h LYS 68 CO -0.15 0.24 0.50 1.96 -2.81 0.00 0.00 179.45 179.20 3kt3 h GLN 69 N 0.04 1.25 0.03 1.90 4.20 -1.11 0.21 115.11 121.63 3kt3 h GLN 69 Ca 0.04 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 3kt3 h GLN 69 Cb 0.14 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 27.68 3kt3 h GLN 69 CO -0.00 0.91 -0.50 0.28 -0.67 0.00 0.00 178.83 178.85 3kt3 h VAL 70 N 1.26 1.51 0.00 -0.54 2.07 -1.26 -3.37 116.25 115.92 3kt3 h VAL 70 Ca 0.32 -2.15 -0.21 0.00 0.82 0.00 0.00 66.70 65.47 3kt3 h VAL 70 Cb 0.02 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 3kt3 h VAL 70 CO -0.05 0.61 -2.03 0.35 0.02 0.00 0.00 177.57 176.47 3kt3 n THR 71 N -4.31 0.95 -0.98 2.57 -2.24 -0.78 -4.67 114.28 104.82 3kt3 n THR 71 Ca -0.11 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3kt3 n THR 71 Cb 0.64 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3kt3 n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kt3 n GLY 72 N 1.52 0.84 3.92 3.38 0.00 0.73 -4.25 105.19 111.33 3kt3 n GLY 72 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3kt3 n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kt3 s ARG 73 N -0.06 3.49 0.20 1.61 1.81 -1.26 -5.03 118.95 119.71 3kt3 s ARG 73 Ca 0.00 -0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 53.31 3kt3 s ARG 73 Cb 0.00 -2.95 -0.08 0.00 -0.45 0.00 0.00 34.95 31.47 3kt3 s ARG 73 CO 0.00 0.52 1.21 -2.00 -0.68 0.00 0.00 175.30 174.35 3kt3 s GLU 74 N -2.88 4.48 0.28 3.54 2.12 -1.26 -4.18 118.70 120.80 3kt3 s GLU 74 Ca 0.37 1.91 -0.30 0.00 0.36 0.00 0.00 54.97 57.30 3kt3 s GLU 74 Cb -0.12 -3.22 -0.13 0.00 0.26 0.00 0.00 34.13 30.92 3kt3 s GLU 74 CO 0.28 -0.10 1.43 -2.30 -0.54 0.00 0.00 175.26 174.03 3kt3 n PRO 75 N 2.39 2.24 -1.58 4.30 -0.02 -1.26 -4.92 135.00 136.16 3kt3 n PRO 75 Ca 0.04 0.80 -0.39 0.00 -2.02 0.00 0.00 63.50 61.93 3kt3 n PRO 75 Cb 0.44 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3kt3 n PRO 75 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3kt3 n HIS 76 N 1.60 0.55 0.25 6.00 -0.00 -1.26 -4.69 115.22 117.67 3kt3 n HIS 76 Ca 0.09 0.47 0.10 0.00 0.46 0.00 0.00 57.72 58.84 3kt3 n HIS 76 Cb 0.34 -2.12 0.69 0.00 -0.12 0.00 0.00 29.99 28.78 3kt3 n HIS 76 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3kt3 h HIS 77 N 0.73 0.00 -0.88 1.57 2.07 -1.99 0.15 115.15 116.80 3kt3 h HIS 77 Ca -0.47 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.11 3kt3 h HIS 77 Cb 1.37 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.29 3kt3 h HIS 77 CO 0.38 0.00 0.57 0.74 -3.07 0.00 0.00 177.93 176.55 3kt3 h PHE 78 N 0.00 1.02 -0.05 6.12 0.04 -1.93 -0.63 116.94 121.52 3kt3 h PHE 78 Ca 0.02 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.65 3kt3 h PHE 78 Cb 0.08 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 37.91 3kt3 h PHE 78 CO 0.00 0.56 -0.64 -0.07 -0.60 0.00 0.00 178.31 177.56 3kt3 h LEU 79 N 1.02 0.64 -1.03 1.54 3.38 -1.24 0.35 115.31 119.97 3kt3 h LEU 79 Ca 0.37 -0.70 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3kt3 h LEU 79 Cb 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3kt3 h LEU 79 CO -0.13 1.26 0.15 0.03 0.09 0.00 0.00 178.44 179.84 3kt3 h ARG 80 N 0.09 0.85 -0.00 1.13 3.08 -1.15 -2.32 114.38 116.05 3kt3 h ARG 80 Ca -0.07 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3kt3 h ARG 80 Cb 1.31 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3kt3 h ARG 80 CO 0.13 0.75 -0.12 1.63 -1.07 0.00 0.00 179.97 181.29 3kt3 n LYS 81 N -4.28 0.08 -1.26 0.04 5.02 -0.26 -4.92 118.16 112.58 3kt3 n LYS 81 Ca 0.04 -0.02 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 3kt3 n LYS 81 Cb 0.22 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 3kt3 n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kt3 n GLY 82 N 1.47 0.76 0.19 0.72 0.00 -0.87 -4.93 105.19 102.52 3kt3 n GLY 82 Ca 0.08 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 3kt3 n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kt3 h LEU 83 N 0.00 0.66 -8.48 0.99 3.38 -0.59 -3.32 115.31 107.95 3kt3 h LEU 83 Ca -0.12 -0.45 -0.69 0.00 0.09 0.00 0.00 57.88 56.71 3kt3 h LEU 83 Cb 0.45 -0.20 -0.18 0.00 0.09 0.00 0.00 40.66 40.82 3kt3 h LEU 83 CO 0.17 1.23 -0.07 -0.36 0.09 0.00 0.00 178.44 179.50 3kt3 s PHE 84 N -3.58 3.11 -0.04 1.13 0.40 -0.78 0.13 117.98 118.34 3kt3 s PHE 84 Ca -0.07 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.92 3kt3 s PHE 84 Cb 0.09 -3.22 -0.11 0.00 0.51 0.00 0.00 43.02 40.30 3kt3 s PHE 84 CO 0.87 -0.85 0.11 1.97 0.70 0.00 0.00 175.22 178.01 3kt3 n PHE 85 N 5.89 0.00 -4.19 0.36 -1.74 -0.48 -4.60 117.46 112.71 3kt3 n PHE 85 Ca -0.06 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.68 3kt3 n PHE 85 Cb 0.47 -0.27 -0.11 0.00 1.52 0.00 0.00 39.48 41.09 3kt3 n PHE 85 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 3kt3 s SER 86 N -3.39 1.49 0.10 5.98 1.04 -1.20 0.29 113.70 118.02 3kt3 s SER 86 Ca -0.03 -0.84 -0.09 0.00 0.48 0.00 0.00 55.95 55.46 3kt3 s SER 86 Cb 0.04 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 3kt3 s SER 86 CO 0.32 -0.28 0.21 -1.83 0.98 0.00 0.00 173.24 172.65 3kt3 s GLU 87 N -2.94 0.89 -0.07 4.02 4.04 0.73 -0.10 118.70 125.26 3kt3 s GLU 87 Ca 0.07 -0.97 0.02 0.00 0.04 0.00 0.00 54.97 54.13 3kt3 s GLU 87 Cb -0.02 0.35 0.02 0.00 0.02 0.00 0.00 34.13 34.50 3kt3 s GLU 87 CO -0.00 -0.29 -0.11 1.03 -1.84 0.00 0.00 175.26 174.05 3kt3 s ARG 88 N -3.87 1.62 -1.29 -4.83 0.52 -0.31 -1.52 118.95 109.28 3kt3 s ARG 88 Ca 0.06 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3kt3 s ARG 88 Cb 0.05 -1.40 0.00 0.00 0.52 0.00 0.00 34.95 34.12 3kt3 s ARG 88 CO -0.10 -0.02 0.00 -0.25 0.02 0.00 0.00 175.30 174.95 3kt3 n ASP 89 N 3.99 -4.44 0.21 0.23 8.00 -1.26 -0.54 116.55 122.74 3kt3 n ASP 89 Ca -0.22 0.15 0.07 0.00 0.71 0.00 0.00 54.79 55.50 3kt3 n ASP 89 Cb 0.51 -3.77 0.47 0.00 -0.02 0.00 0.00 41.12 38.31 3kt3 n ASP 89 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3kt3 h PHE 90 N 0.00 0.00 -0.76 1.24 3.57 -1.90 -2.69 116.94 116.39 3kt3 h PHE 90 Ca -0.35 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.20 3kt3 h PHE 90 Cb 1.24 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 3kt3 h PHE 90 CO 0.64 0.29 0.46 1.15 -2.23 0.00 0.00 178.31 178.62 3kt3 h THR 91 N 0.00 1.04 0.00 4.41 2.02 -1.99 -1.65 112.91 116.74 3kt3 h THR 91 Ca -0.00 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 3kt3 h THR 91 Cb 0.62 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3kt3 h THR 91 CO 0.04 0.16 -0.45 0.07 0.37 0.00 0.00 175.52 175.70 3kt3 h LYS 92 N 0.87 0.00 -0.28 6.66 2.10 -1.87 0.28 116.57 124.32 3kt3 h LYS 92 Ca 0.33 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.87 3kt3 h LYS 92 Cb 0.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 3kt3 h LYS 92 CO -0.16 0.45 -0.23 0.82 -2.00 0.00 0.00 179.45 178.33 3kt3 h ILE 93 N 0.00 1.30 -0.52 0.07 1.08 -1.43 -1.09 117.51 116.92 3kt3 h ILE 93 Ca -0.00 -1.38 -0.06 0.00 -0.39 0.00 0.00 64.86 63.02 3kt3 h ILE 93 Cb 0.98 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 3kt3 h ILE 93 CO 0.06 0.44 0.09 -0.07 -0.69 0.00 0.00 178.15 177.98 3kt3 h LEU 94 N 0.39 0.76 -0.51 1.44 3.38 -1.07 -1.44 115.31 118.27 3kt3 h LEU 94 Ca 0.05 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kt3 h LEU 94 Cb 0.79 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3kt3 h LEU 94 CO 0.06 0.77 0.32 0.44 0.09 0.00 0.00 178.44 180.12 3kt3 h ASP 95 N 0.77 0.53 -0.15 -0.43 3.32 -0.80 -0.14 116.42 119.52 3kt3 h ASP 95 Ca 0.17 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3kt3 h ASP 95 Cb 0.34 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3kt3 h ASP 95 CO 0.00 0.38 0.04 -0.07 -1.72 0.00 0.00 179.24 177.88 3kt3 h LEU 96 N 0.64 0.22 -0.65 1.55 3.38 -0.84 -2.07 115.31 117.54 3kt3 h LEU 96 Ca 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kt3 h LEU 96 Cb -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kt3 h LEU 96 CO -0.07 0.37 0.40 0.22 0.09 0.00 0.00 178.44 179.45 3kt3 h TYR 97 N 0.06 0.85 -0.33 1.13 3.20 -1.18 -0.16 116.97 120.55 3kt3 h TYR 97 Ca 0.05 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.99 3kt3 h TYR 97 Cb 0.23 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3kt3 h TYR 97 CO 0.00 0.57 0.23 1.49 -1.64 0.00 0.00 178.16 178.81 3kt3 h GLU 98 N 0.88 0.15 -0.01 1.82 4.81 -0.87 -2.05 114.58 119.32 3kt3 h GLU 98 Ca 0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3kt3 h GLU 98 Cb -0.04 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3kt3 h GLU 98 CO -0.05 0.10 -0.48 1.04 -0.73 0.00 0.00 179.01 178.89 3kt3 n GLN 99 N -4.47 0.85 -1.00 1.92 6.02 -0.73 -0.76 117.38 119.22 3kt3 n GLN 99 Ca 0.04 -0.64 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 3kt3 n GLN 99 Cb 0.30 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.07 3kt3 n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kt3 n GLY 100 N 1.41 0.56 3.81 1.08 0.00 -0.21 -4.13 105.19 107.71 3kt3 n GLY 100 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3kt3 n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kt3 s LYS 101 N -0.04 3.37 0.45 1.61 1.02 -0.36 -4.99 119.74 120.79 3kt3 s LYS 101 Ca 0.00 1.12 -0.06 0.00 0.02 0.00 0.00 55.97 57.06 3kt3 s LYS 101 Cb 0.00 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 3kt3 s LYS 101 CO 0.00 -0.76 0.76 -1.25 -0.92 0.00 0.00 175.35 173.17 3kt3 s PRO 102 N -4.23 3.59 0.23 -1.68 0.04 -1.26 -4.36 135.00 127.33 3kt3 s PRO 102 Ca 0.62 0.21 -0.22 0.00 0.04 0.00 0.00 61.00 61.64 3kt3 s PRO 102 Cb -0.15 -2.41 0.04 0.00 0.04 0.00 0.00 34.50 32.02 3kt3 s PRO 102 CO 0.39 -0.13 0.78 -0.59 0.04 0.00 0.00 177.00 177.48 3kt3 s PHE 103 N -2.62 -0.21 0.30 0.56 -0.12 -1.26 -4.69 117.98 109.95 3kt3 s PHE 103 Ca 0.47 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 57.21 3kt3 s PHE 103 Cb -0.10 0.67 -0.06 0.00 -0.63 0.00 0.00 43.02 42.90 3kt3 s PHE 103 CO 0.41 -1.08 0.05 -0.59 -0.05 0.00 0.00 175.22 173.96 3kt3 s PHE 104 N -3.72 1.87 -0.00 3.49 -0.12 -1.07 -4.42 117.98 114.01 3kt3 s PHE 104 Ca 0.10 -0.96 0.01 0.00 -0.05 0.00 0.00 56.93 56.02 3kt3 s PHE 104 Cb -0.04 -1.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.13 3kt3 s PHE 104 CO 0.04 -0.02 0.04 -0.51 -0.05 0.00 0.00 175.22 174.71 3kt3 s LEU 105 N -3.44 3.70 -0.07 -1.99 1.43 -0.11 -0.82 118.68 117.38 3kt3 s LEU 105 Ca 0.35 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3kt3 s LEU 105 Cb 0.08 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.21 3kt3 s LEU 105 CO 0.14 0.28 0.12 -0.47 0.23 0.00 0.00 176.35 176.66 3kt3 s TYR 106 N -1.14 -0.11 0.26 0.29 5.04 -0.73 -1.36 117.35 119.60 3kt3 s TYR 106 Ca 0.21 0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 55.30 3kt3 s TYR 106 Cb -0.12 -0.27 -0.03 0.00 0.35 0.00 0.00 41.96 41.90 3kt3 s TYR 106 CO 0.12 -0.22 0.26 -0.08 -1.34 0.00 0.00 175.55 174.29 3kt3 s THR 107 N 1.91 0.00 0.33 4.34 -1.32 -0.91 -3.87 115.64 116.12 3kt3 s THR 107 Ca -0.00 -1.87 -0.09 0.00 -1.21 0.00 0.00 61.69 58.51 3kt3 s THR 107 Cb -0.12 -2.48 0.04 0.00 -1.51 0.00 0.00 72.50 68.43 3kt3 s THR 107 CO -0.05 0.00 0.60 0.61 -2.21 0.00 0.00 174.62 173.57 3kt3 n GLY 108 N -0.41 1.46 3.40 6.08 0.00 -1.26 -1.50 105.19 112.96 3kt3 n GLY 108 Ca 0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 3kt3 n GLY 108 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kt3 s ARG 109 N -2.27 0.53 -0.50 1.61 6.06 -0.27 -4.93 118.95 119.18 3kt3 s ARG 109 Ca 0.17 0.87 -0.20 0.00 -2.50 0.00 0.00 55.73 54.07 3kt3 s ARG 109 Cb -0.03 0.11 0.05 0.00 0.06 0.00 0.00 34.95 35.14 3kt3 s ARG 109 CO 0.13 -0.13 0.64 0.20 -2.50 0.00 0.00 175.30 173.64 3kt3 s GLY 110 N 1.11 1.75 -1.25 8.12 0.00 -1.26 -1.78 107.32 114.01 3kt3 s GLY 110 Ca -0.07 -1.67 -0.20 0.00 0.00 0.00 0.00 44.72 42.79 3kt3 s GLY 110 CO -0.10 1.51 1.82 2.56 0.00 0.00 0.00 173.10 178.89 3kt3 s PRO 111 N 2.72 3.32 0.00 2.90 0.04 -1.26 -4.67 135.00 138.05 3kt3 s PRO 111 Ca 0.17 -1.62 0.25 0.00 0.04 0.00 0.00 61.00 59.84 3kt3 s PRO 111 Cb -0.18 -5.41 0.46 0.00 0.04 0.00 0.00 34.50 29.41 3kt3 s PRO 111 CO 0.13 -3.03 1.41 -1.13 0.04 0.00 0.00 177.00 174.42 3kt3 n SER 112 N 11.07 2.51 -3.13 6.66 3.41 -1.26 -4.64 113.62 128.24 3kt3 n SER 112 Ca 0.47 -1.83 -0.14 0.00 -0.26 0.00 0.00 58.87 57.11 3kt3 n SER 112 Cb 0.46 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3kt3 n SER 112 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kt3 s SER 113 N -2.01 0.81 0.09 4.04 1.04 -1.26 -5.08 113.70 111.33 3kt3 s SER 113 Ca 0.31 -1.45 -0.13 0.00 0.48 0.00 0.00 55.95 55.16 3kt3 s SER 113 Cb 0.20 0.71 -0.21 0.00 0.10 0.00 0.00 66.02 66.82 3kt3 s SER 113 CO 0.31 -1.39 1.22 -0.78 0.98 0.00 0.00 173.24 173.59 3kt3 h ASP 114 N 2.07 0.89 -4.29 7.02 3.58 -1.93 -3.44 116.42 120.33 3kt3 h ASP 114 Ca -0.29 -0.69 -0.45 0.00 0.42 0.00 0.00 57.03 56.03 3kt3 h ASP 114 Cb 1.24 -0.27 -0.26 0.00 1.72 0.00 0.00 39.33 41.76 3kt3 h ASP 114 CO 0.39 1.49 -0.79 -0.55 -2.88 0.00 0.00 179.24 176.90 3kt3 s SER 115 N -7.24 1.61 0.88 2.28 0.15 -1.26 -4.30 113.70 105.81 3kt3 s SER 115 Ca -0.10 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.04 3kt3 s SER 115 Cb 0.07 -0.12 0.12 0.00 -1.71 0.00 0.00 66.02 64.38 3kt3 s SER 115 CO 0.92 0.06 1.09 -0.04 1.20 0.00 0.00 173.24 176.47 3kt3 s MET 116 N -0.93 1.38 0.53 5.44 -1.94 -1.26 -4.87 119.30 117.66 3kt3 s MET 116 Ca 0.02 0.74 0.04 0.00 -1.71 0.00 0.00 55.69 54.79 3kt3 s MET 116 Cb -0.07 -1.83 0.02 0.00 2.01 0.00 0.00 34.83 34.96 3kt3 s MET 116 CO 0.01 -2.13 0.28 -3.38 -0.01 0.00 0.00 175.02 169.78 3kt3 s HIS 117 N -3.00 1.70 0.47 -0.03 -3.43 -1.26 -1.49 115.29 108.25 3kt3 s HIS 117 Ca 0.63 -0.88 0.12 0.00 -0.80 0.00 0.00 55.06 54.13 3kt3 s HIS 117 Cb -0.17 -1.82 1.08 0.00 -1.43 0.00 0.00 32.58 30.25 3kt3 s HIS 117 CO 0.56 -0.25 2.11 -0.07 -2.00 0.00 0.00 174.74 175.09 3kt3 h LEU 118 N 0.94 0.22 -1.27 5.38 3.38 -1.65 -1.84 115.31 120.46 3kt3 h LEU 118 Ca -0.39 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3kt3 h LEU 118 Cb 1.31 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 3kt3 h LEU 118 CO 0.63 0.16 0.45 1.23 0.09 0.00 0.00 178.44 180.99 3kt3 h GLY 119 N 0.26 1.00 2.00 0.83 0.00 -1.90 -2.05 103.07 103.21 3kt3 h GLY 119 Ca 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3kt3 h GLY 119 CO -0.02 0.38 -0.13 0.45 0.00 0.00 0.00 176.54 177.23 3kt3 h HIS 120 N 0.96 0.00 -0.15 5.60 3.86 -1.71 -2.63 115.15 121.09 3kt3 h HIS 120 Ca 0.26 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 3kt3 h HIS 120 Cb -0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 3kt3 h HIS 120 CO 0.00 0.13 0.02 0.52 0.86 0.00 0.00 177.93 179.45 3kt3 h MET 121 N 0.00 0.21 0.75 2.45 2.07 -1.42 -3.21 114.93 115.78 3kt3 h MET 121 Ca -0.00 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.57 3kt3 h MET 121 Cb 0.35 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.03 3kt3 h MET 121 CO 0.02 0.22 -0.46 0.82 1.07 0.00 0.00 176.91 178.58 3kt3 h ILE 122 N 0.21 0.08 -0.75 -1.22 1.08 -1.57 0.49 117.51 115.84 3kt3 h ILE 122 Ca 0.05 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.47 3kt3 h ILE 122 Cb 0.13 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 33.92 3kt3 h ILE 122 CO 0.00 0.00 0.26 1.55 -0.69 0.00 0.00 178.15 179.27 3kt3 h PRO 123 N -1.13 1.14 -0.28 2.37 0.13 -1.76 -2.34 132.00 130.14 3kt3 h PRO 123 Ca -0.10 -0.23 -0.16 0.00 -0.87 0.00 0.00 66.00 64.65 3kt3 h PRO 123 Cb 0.91 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3kt3 h PRO 123 CO 0.10 0.95 -0.46 0.74 -0.23 0.00 0.00 178.00 179.11 3kt3 h PHE 124 N 1.10 0.87 -0.64 1.56 0.04 -1.52 0.15 116.94 118.50 3kt3 h PHE 124 Ca 0.24 -0.28 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 3kt3 h PHE 124 Cb 0.27 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 3kt3 h PHE 124 CO 0.02 1.04 0.22 0.28 -0.60 0.00 0.00 178.31 179.27 3kt3 h VAL 125 N 0.57 1.24 -0.33 -0.55 2.07 -0.00 -1.11 116.25 118.14 3kt3 h VAL 125 Ca 0.03 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 3kt3 h VAL 125 Cb 1.01 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3kt3 h VAL 125 CO 0.10 0.31 -0.08 0.15 0.02 0.00 0.00 177.57 178.07 3kt3 h PHE 126 N 0.91 0.71 -0.24 1.57 3.57 -1.25 -2.58 116.94 119.63 3kt3 h PHE 126 Ca 0.21 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3kt3 h PHE 126 Cb 0.25 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3kt3 h PHE 126 CO 0.02 0.81 0.04 1.15 -2.23 0.00 0.00 178.31 178.09 3kt3 h THR 127 N 0.41 0.88 -0.92 4.41 2.02 -0.58 0.12 112.91 119.26 3kt3 h THR 127 Ca 0.08 -0.04 0.16 0.00 0.77 0.00 0.00 66.41 67.37 3kt3 h THR 127 Cb 0.57 0.74 -0.10 0.00 -1.74 0.00 0.00 68.15 67.62 3kt3 h THR 127 CO 0.03 0.02 0.51 0.50 0.37 0.00 0.00 175.52 176.96 3kt3 h LYS 128 N 0.13 0.69 -0.25 6.66 3.64 -1.15 0.10 116.57 126.39 3kt3 h LYS 128 Ca 0.11 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 3kt3 h LYS 128 Cb 0.12 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3kt3 h LYS 128 CO -0.15 0.46 -0.18 2.35 -2.27 0.00 0.00 179.45 179.65 3kt3 h TRP 129 N 0.71 0.67 -0.65 1.91 7.01 -0.93 -2.42 115.95 122.25 3kt3 h TRP 129 Ca 0.50 -0.18 0.04 0.00 2.11 0.00 0.00 58.89 61.35 3kt3 h TRP 129 Cb 0.71 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.58 3kt3 h TRP 129 CO -0.05 0.86 0.39 -0.07 -2.79 0.00 0.00 178.44 176.78 3kt3 h LEU 130 N 0.28 0.63 -0.45 0.65 3.38 0.12 0.03 115.31 119.95 3kt3 h LEU 130 Ca 0.05 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kt3 h LEU 130 Cb 0.72 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3kt3 h LEU 130 CO 0.05 0.43 0.30 -0.61 0.09 0.00 0.00 178.44 178.70 3kt3 h GLN 131 N 0.76 0.59 -0.25 1.13 4.15 -0.84 -1.06 115.11 119.58 3kt3 h GLN 131 Ca 0.27 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 3kt3 h GLN 131 Cb 0.06 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3kt3 h GLN 131 CO -0.12 0.39 0.10 0.93 -1.93 0.00 0.00 178.83 178.20 3kt3 h GLU 132 N 0.61 0.38 -0.38 1.69 5.08 -0.94 0.32 114.58 121.33 3kt3 h GLU 132 Ca 0.17 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 3kt3 h GLU 132 Cb -0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3kt3 h GLU 132 CO -0.04 0.42 -0.34 0.28 -1.00 0.00 0.00 179.01 178.33 3kt3 h VAL 133 N 0.26 1.28 0.00 3.13 2.07 -0.86 -3.25 116.25 118.88 3kt3 h VAL 133 Ca 0.08 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3kt3 h VAL 133 Cb 0.18 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kt3 h VAL 133 CO -0.01 0.50 -1.22 0.49 0.02 0.00 0.00 177.57 177.36 3kt3 n PHE 134 N -4.07 0.25 -3.44 1.57 3.72 -0.41 -5.02 117.46 110.06 3kt3 n PHE 134 Ca -0.01 0.07 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 3kt3 n PHE 134 Cb 0.51 -0.45 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 3kt3 n PHE 134 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kt3 n ASP 135 N -2.03 -6.25 -4.25 4.37 2.03 0.10 -4.94 116.55 105.58 3kt3 n ASP 135 Ca 0.01 -0.67 -0.14 0.00 0.52 0.00 0.00 54.79 54.51 3kt3 n ASP 135 Cb 0.46 -4.00 -0.10 0.00 -0.72 0.00 0.00 41.12 36.76 3kt3 n ASP 135 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3kt3 s VAL 136 N -3.23 1.19 0.59 5.18 -7.23 -1.21 -3.25 120.40 112.43 3kt3 s VAL 136 Ca 0.25 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 3kt3 s VAL 136 Cb -0.07 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 3kt3 s VAL 136 CO 0.81 -0.73 1.02 -2.16 -0.31 0.00 0.00 175.10 173.73 3kt3 s PRO 137 N -3.71 3.62 -0.03 4.82 0.04 -1.26 -4.84 135.00 133.63 3kt3 s PRO 137 Ca 0.16 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.12 3kt3 s PRO 137 Cb 0.02 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.49 3kt3 s PRO 137 CO 0.01 -0.55 -0.08 -1.17 0.04 0.00 0.00 177.00 175.25 3kt3 s LEU 138 N -4.75 1.66 -0.11 -3.56 2.96 -0.62 -0.94 118.68 113.32 3kt3 s LEU 138 Ca 0.58 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3kt3 s LEU 138 Cb -0.11 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 3kt3 s LEU 138 CO 0.44 0.03 -0.17 0.68 -1.32 0.00 0.00 176.35 176.01 3kt3 s VAL 139 N 0.42 2.74 -0.19 1.68 -7.23 -0.47 -0.72 120.40 116.63 3kt3 s VAL 139 Ca -0.06 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 3kt3 s VAL 139 Cb -0.10 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.75 3kt3 s VAL 139 CO 0.01 0.54 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.54 3kt3 s ILE 140 N 0.17 2.20 -0.19 -0.62 1.01 0.52 -2.15 121.20 122.12 3kt3 s ILE 140 Ca -0.09 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 3kt3 s ILE 140 Cb -0.16 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3kt3 s ILE 140 CO 0.06 0.45 0.39 -0.70 0.00 0.00 0.00 174.94 175.14 3kt3 s GLU 141 N 1.28 4.20 -0.43 2.79 2.12 -0.56 -1.57 118.70 126.52 3kt3 s GLU 141 Ca 0.03 0.21 -0.12 0.00 0.36 0.00 0.00 54.97 55.44 3kt3 s GLU 141 Cb -0.14 -3.52 0.06 0.00 0.26 0.00 0.00 34.13 30.80 3kt3 s GLU 141 CO -0.11 0.01 0.31 -0.51 -0.54 0.00 0.00 175.26 174.42 3kt3 s LEU 142 N 1.16 5.27 -1.36 2.70 1.43 0.85 -1.12 118.68 127.61 3kt3 s LEU 142 Ca 0.19 -1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 51.92 3kt3 s LEU 142 Cb -0.15 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.07 3kt3 s LEU 142 CO 0.08 -0.55 2.51 0.35 0.23 0.00 0.00 176.35 178.97 3kt3 n THR 143 N 5.06 5.03 -0.04 5.49 -2.24 -0.73 -1.18 114.28 125.67 3kt3 n THR 143 Ca -0.11 -3.96 0.03 0.00 -2.27 0.00 0.00 64.05 57.74 3kt3 n THR 143 Cb 0.44 -2.17 0.38 0.00 -2.10 0.00 0.00 70.33 66.88 3kt3 n THR 143 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3kt3 h ASP 144 N 4.64 0.55 -0.69 3.42 3.04 -1.88 -2.01 116.42 123.49 3kt3 h ASP 144 Ca 0.73 -0.02 -0.04 0.00 -3.24 0.00 0.00 57.03 54.46 3kt3 h ASP 144 Cb 0.31 -0.14 -0.03 0.00 -1.04 0.00 0.00 39.33 38.43 3kt3 h ASP 144 CO 1.52 0.41 0.27 -2.24 -2.04 0.00 0.00 179.24 177.16 3kt3 h ASP 145 N 0.64 0.96 -0.08 4.15 -0.00 -1.94 -1.98 116.42 118.18 3kt3 h ASP 145 Ca 0.17 -0.18 0.04 0.00 -0.00 0.00 0.00 57.03 57.06 3kt3 h ASP 145 Cb -0.05 -0.25 -0.05 0.00 -0.00 0.00 0.00 39.33 38.99 3kt3 h ASP 145 CO -0.03 0.88 -0.20 -0.08 -0.00 0.00 0.00 179.24 179.80 3kt3 h GLU 146 N 0.99 -0.27 -0.91 4.15 4.81 -1.77 -1.59 114.58 119.99 3kt3 h GLU 146 Ca 0.23 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3kt3 h GLU 146 Cb 0.22 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3kt3 h GLU 146 CO -0.02 -0.18 0.55 0.87 -0.73 0.00 0.00 179.01 179.50 3kt3 h LYS 147 N -0.28 1.24 -0.68 1.92 1.79 -1.24 -0.07 116.57 119.25 3kt3 h LYS 147 Ca 0.08 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3kt3 h LYS 147 Cb 0.40 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 3kt3 h LYS 147 CO -0.24 0.86 0.39 0.35 -1.08 0.00 0.00 179.45 179.73 3kt3 h PHE 148 N 1.26 0.93 -0.36 -1.35 3.04 -1.23 -1.17 116.94 118.05 3kt3 h PHE 148 Ca 0.33 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.19 3kt3 h PHE 148 Cb -0.06 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.14 3kt3 h PHE 148 CO 0.01 0.65 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.77 3kt3 h LEU 149 N 0.93 0.60 -0.66 0.59 4.07 -0.17 -3.27 115.31 117.40 3kt3 h LEU 149 Ca 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3kt3 h LEU 149 Cb 0.02 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.60 3kt3 h LEU 149 CO -0.04 0.74 -0.54 0.49 -1.08 0.00 0.00 178.44 178.01 3kt3 n PHE 150 N -4.19 0.00 -3.95 1.13 3.01 -0.17 -4.77 117.46 108.52 3kt3 n PHE 150 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 3kt3 n PHE 150 Cb 0.33 -0.04 -0.15 0.00 -0.01 0.00 0.00 39.48 39.61 3kt3 n PHE 150 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kt3 s LYS 151 N -2.61 1.57 0.23 -1.08 -0.14 -0.46 -5.02 119.74 112.23 3kt3 s LYS 151 Ca 0.17 -1.27 -0.09 0.00 -1.36 0.00 0.00 55.97 53.43 3kt3 s LYS 151 Cb 0.18 -2.71 0.37 0.00 -1.68 0.00 0.00 37.83 33.99 3kt3 s LYS 151 CO 0.63 -0.72 1.66 0.45 -0.76 0.00 0.00 175.35 176.60 3kt3 h HIS 152 N 7.86 0.00 -0.87 3.18 3.86 -1.86 -2.71 115.15 124.62 3kt3 h HIS 152 Ca -0.14 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 3kt3 h HIS 152 Cb 1.05 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 3kt3 h HIS 152 CO 0.50 -0.18 0.45 0.87 0.86 0.00 0.00 177.93 180.43 3kt3 h LYS 153 N 0.13 1.23 -6.99 2.45 1.57 -1.95 -3.46 116.57 109.55 3kt3 h LYS 153 Ca 0.37 -0.16 -0.53 0.00 -1.87 0.00 0.00 60.65 58.46 3kt3 h LYS 153 Cb 0.62 -0.23 0.10 0.00 0.08 0.00 0.00 32.23 32.79 3kt3 h LYS 153 CO -0.57 0.92 0.60 -0.51 -0.57 0.00 0.00 179.45 179.31 3kt3 s LEU 154 N -9.85 4.06 0.47 2.94 1.43 -1.02 -5.05 118.68 111.65 3kt3 s LEU 154 Ca -0.12 2.65 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 3kt3 s LEU 154 Cb 0.17 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.34 3kt3 s LEU 154 CO 0.83 -1.11 0.64 0.42 0.23 0.00 0.00 176.35 177.36 3kt3 s THR 155 N -1.32 2.79 0.25 5.49 -4.23 -1.26 -4.97 115.64 112.39 3kt3 s THR 155 Ca 0.63 -0.97 -0.05 0.00 -1.18 0.00 0.00 61.69 60.12 3kt3 s THR 155 Cb -0.38 -2.82 0.17 0.00 1.34 0.00 0.00 72.50 70.81 3kt3 s THR 155 CO 0.47 0.00 1.82 0.40 -0.54 0.00 0.00 174.62 176.77 3kt3 h ILE 156 N 0.49 1.24 -0.51 2.99 1.08 -1.98 -2.92 117.51 117.89 3kt3 h ILE 156 Ca -0.38 -0.77 -0.02 0.00 -0.39 0.00 0.00 64.86 63.29 3kt3 h ILE 156 Cb 1.28 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 3kt3 h ILE 156 CO 0.45 0.31 0.22 0.78 -0.69 0.00 0.00 178.15 179.22 3kt3 h ASN 157 N 1.02 0.69 -0.09 1.72 2.35 -1.99 -1.71 115.58 117.57 3kt3 h ASN 157 Ca 0.24 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3kt3 h ASN 157 Cb 0.21 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 3kt3 h ASN 157 CO -0.02 0.65 -0.29 0.44 -1.65 0.00 0.00 177.43 176.56 3kt3 h ASP 158 N 0.68 -0.88 0.57 5.81 5.19 -1.92 -1.13 116.42 124.74 3kt3 h ASP 158 Ca 0.17 0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.58 3kt3 h ASP 158 Cb 0.16 0.37 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 3kt3 h ASP 158 CO -0.02 -0.34 -0.61 -0.37 -3.12 0.00 0.00 179.24 174.79 3kt3 h VAL 159 N -0.38 1.43 -0.60 -1.35 -1.51 -1.47 0.37 116.25 112.74 3kt3 h VAL 159 Ca 0.09 -2.06 -0.10 0.00 -1.23 0.00 0.00 66.70 63.40 3kt3 h VAL 159 Cb 0.51 2.10 -0.02 0.00 -2.13 0.00 0.00 31.29 31.75 3kt3 h VAL 159 CO -0.31 0.59 0.00 0.11 -1.23 0.00 0.00 177.57 176.74 3kt3 h LYS 160 N 0.03 1.05 0.36 5.19 1.57 -1.11 -1.16 116.57 122.51 3kt3 h LYS 160 Ca -0.01 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3kt3 h LYS 160 Cb 1.08 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3kt3 h LYS 160 CO 0.08 1.03 -0.17 -0.91 -0.57 0.00 0.00 179.45 178.90 3kt3 h ASN 161 N 0.96 -0.41 -1.02 0.86 2.35 -0.90 -3.04 115.58 114.38 3kt3 h ASN 161 Ca 0.17 -0.15 0.29 0.00 -0.55 0.00 0.00 56.30 56.06 3kt3 h ASN 161 Cb 0.55 0.11 -0.13 0.00 0.05 0.00 0.00 38.32 38.90 3kt3 h ASN 161 CO 0.03 0.00 0.60 -0.26 -1.65 0.00 0.00 177.43 176.16 3kt3 h PHE 162 N -0.91 0.93 -0.75 1.19 0.04 -0.96 -0.50 116.94 115.97 3kt3 h PHE 162 Ca -0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3kt3 h PHE 162 Cb 0.54 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 3kt3 h PHE 162 CO 0.03 -0.04 0.40 0.00 -0.60 0.00 0.00 178.31 178.10 3kt3 h ALA 163 N 1.76 0.97 -0.27 2.45 0.00 -1.17 0.35 119.26 123.34 3kt3 h ALA 163 Ca 0.68 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.30 3kt3 h ALA 163 Cb 1.49 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kt3 h ALA 163 CO -0.50 0.49 -0.47 0.00 0.00 0.00 0.00 179.25 178.77 3kt3 h ARG 164 N 1.05 0.80 -0.33 0.00 3.08 -1.01 -1.01 114.38 116.95 3kt3 h ARG 164 Ca 0.26 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 3kt3 h ARG 164 Cb 0.05 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3kt3 h ARG 164 CO -0.04 1.12 0.14 0.93 -1.07 0.00 0.00 179.97 181.05 3kt3 h GLU 165 N 0.56 0.49 -0.21 0.04 4.39 -1.05 -1.77 114.58 117.04 3kt3 h GLU 165 Ca 0.02 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3kt3 h GLU 165 Cb 1.07 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 3kt3 h GLU 165 CO 0.11 0.49 -0.19 -0.91 -1.16 0.00 0.00 179.01 177.34 3kt3 h ASN 166 N 0.39 0.35 -0.86 1.42 -0.26 -0.32 -2.36 115.58 113.94 3kt3 h ASN 166 Ca 0.11 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 3kt3 h ASN 166 Cb 0.17 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.30 3kt3 h ASN 166 CO -0.01 0.55 0.46 0.00 -1.06 0.00 0.00 177.43 177.37 3kt3 h ALA 167 N 1.48 1.10 -0.49 -0.83 0.00 -0.88 -1.19 119.26 118.45 3kt3 h ALA 167 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kt3 h ALA 167 Cb 0.52 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kt3 h ALA 167 CO 0.03 0.62 0.30 0.87 0.00 0.00 0.00 179.25 181.08 3kt3 h LYS 168 N 1.20 0.66 -0.71 0.00 1.57 -0.85 -0.91 116.57 117.52 3kt3 h LYS 168 Ca 0.30 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 3kt3 h LYS 168 Cb 0.05 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 3kt3 h LYS 168 CO -0.05 0.47 0.42 -0.44 -0.57 0.00 0.00 179.45 179.28 3kt3 h ASP 169 N 0.65 0.65 -0.34 0.86 3.32 -1.06 0.85 116.42 121.35 3kt3 h ASP 169 Ca 0.18 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 3kt3 h ASP 169 Cb -0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3kt3 h ASP 169 CO -0.03 0.42 0.07 0.40 -1.72 0.00 0.00 179.24 178.38 3kt3 h ILE 170 N 0.78 1.23 -0.66 0.35 2.04 -0.89 -2.60 117.51 117.76 3kt3 h ILE 170 Ca 0.31 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3kt3 h ILE 170 Cb 0.15 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3kt3 h ILE 170 CO -0.16 0.26 0.31 0.40 0.00 0.00 0.00 178.15 178.96 3kt3 h ILE 171 N 0.39 1.22 0.00 -0.67 2.04 -0.89 -2.19 117.51 117.40 3kt3 h ILE 171 Ca 0.10 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3kt3 h ILE 171 Cb 0.33 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3kt3 h ILE 171 CO 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 178.15 178.41 3kt3 h ALA 172 N 1.41 1.44 0.00 1.87 0.00 -0.47 0.13 119.26 123.64 3kt3 h ALA 172 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kt3 h ALA 172 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kt3 h ALA 172 CO -0.03 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.45 3kt3 h VAL 173 N 0.00 0.68 0.00 0.00 2.07 -1.07 -3.44 116.25 114.48 3kt3 h VAL 173 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kt3 h VAL 173 Cb 0.01 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3kt3 h VAL 173 CO 0.00 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.25 3kt3 n GLY 174 N -1.16 1.00 3.88 2.17 0.00 0.44 -5.00 105.19 106.52 3kt3 n GLY 174 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3kt3 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kt3 s PHE 175 N -1.97 3.51 -0.16 1.61 0.40 -1.20 -5.08 117.98 115.08 3kt3 s PHE 175 Ca 0.00 1.00 -0.05 0.00 -0.60 0.00 0.00 56.93 57.28 3kt3 s PHE 175 Cb 0.00 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 3kt3 s PHE 175 CO 0.00 -0.22 0.00 0.34 0.70 0.00 0.00 175.22 176.04 3kt3 s ASP 176 N -3.56 5.16 0.60 1.36 -1.08 -1.26 -5.00 116.67 112.90 3kt3 s ASP 176 Ca 0.50 -0.02 0.38 0.00 -0.52 0.00 0.00 52.55 52.90 3kt3 s ASP 176 Cb -0.10 -1.83 1.84 0.00 -1.46 0.00 0.00 42.92 41.37 3kt3 s ASP 176 CO 0.38 0.19 2.16 1.55 0.52 0.00 0.00 175.17 179.97 3kt3 h PRO 177 N 6.56 0.00 -0.70 4.34 0.13 -1.87 -2.47 132.00 138.00 3kt3 h PRO 177 Ca -0.35 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.91 3kt3 h PRO 177 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3kt3 h PRO 177 CO 0.65 0.00 0.47 -0.22 -0.23 0.00 0.00 178.00 178.67 3kt3 h LYS 178 N 0.00 0.39 0.00 0.86 3.64 -1.93 -3.10 116.57 116.43 3kt3 h LYS 178 Ca -0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3kt3 h LYS 178 Cb 0.28 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.93 3kt3 h LYS 178 CO 0.00 0.26 -0.54 0.27 -2.27 0.00 0.00 179.45 177.17 3kt3 n ASN 179 N -4.47 0.78 -3.93 4.20 6.94 -1.11 -1.62 115.26 116.05 3kt3 n ASN 179 Ca 0.13 -2.34 -0.19 0.00 -0.02 0.00 0.00 54.58 52.15 3kt3 n ASN 179 Cb 0.48 -0.29 -0.16 0.00 -2.36 0.00 0.00 39.78 37.45 3kt3 n ASN 179 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3kt3 s THR 180 N -0.76 0.58 -0.16 5.53 2.01 -0.95 -1.59 115.64 120.30 3kt3 s THR 180 Ca 0.16 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.99 3kt3 s THR 180 Cb 0.17 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 72.13 3kt3 s THR 180 CO -0.04 0.22 -0.20 0.12 -0.69 0.00 0.00 174.62 174.03 3kt3 s PHE 181 N 0.62 2.60 -0.11 4.92 5.36 0.10 -4.59 117.98 126.89 3kt3 s PHE 181 Ca -0.08 -1.43 0.01 0.00 -0.96 0.00 0.00 56.93 54.46 3kt3 s PHE 181 Cb -0.12 -1.80 -0.02 0.00 -0.34 0.00 0.00 43.02 40.74 3kt3 s PHE 181 CO 0.00 -0.70 -0.13 0.42 -1.46 0.00 0.00 175.22 173.36 3kt3 s ILE 182 N 1.12 3.12 -0.01 3.12 1.01 -0.74 -0.36 121.20 128.46 3kt3 s ILE 182 Ca -0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 3kt3 s ILE 182 Cb -0.14 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3kt3 s ILE 182 CO -0.08 0.54 0.10 0.72 0.00 0.00 0.00 174.94 176.23 3kt3 s PHE 183 N 0.00 0.01 0.13 3.97 -0.71 -0.61 -3.69 117.98 117.09 3kt3 s PHE 183 Ca -0.04 -0.03 -0.25 0.00 -1.04 0.00 0.00 56.93 55.57 3kt3 s PHE 183 Cb -0.14 -0.04 -0.07 0.00 -1.21 0.00 0.00 43.02 41.56 3kt3 s PHE 183 CO 0.04 -0.19 0.78 0.45 -1.34 0.00 0.00 175.22 174.96 3kt3 s SER 184 N -0.86 7.34 0.12 1.98 0.15 -1.26 -0.10 113.70 121.07 3kt3 s SER 184 Ca -0.09 1.59 -0.21 0.00 0.70 0.00 0.00 55.95 57.93 3kt3 s SER 184 Cb -0.05 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 3kt3 s SER 184 CO 0.01 0.14 1.70 0.44 1.20 0.00 0.00 173.24 176.73 3kt3 h ASP 185 N 4.77 -0.24 -1.01 5.45 3.32 -1.54 0.33 116.42 127.51 3kt3 h ASP 185 Ca -0.46 0.06 0.11 0.00 0.02 0.00 0.00 57.03 56.75 3kt3 h ASP 185 Cb 1.21 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.81 3kt3 h ASP 185 CO 0.68 -0.10 0.64 -0.07 -1.72 0.00 0.00 179.24 178.67 3kt3 h LEU 186 N -0.06 0.96 -0.05 1.55 3.38 -1.94 0.97 115.31 120.12 3kt3 h LEU 186 Ca 0.08 0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 3kt3 h LEU 186 Cb 0.18 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kt3 h LEU 186 CO -0.18 0.54 -1.07 -0.61 0.09 0.00 0.00 178.44 177.21 3kt3 h GLN 187 N 1.05 0.41 0.00 1.13 4.15 -1.86 -3.35 115.11 116.64 3kt3 h GLN 187 Ca 0.48 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3kt3 h GLN 187 Cb 0.41 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.26 3kt3 h GLN 187 CO -0.24 1.18 -1.15 0.98 -1.93 0.00 0.00 178.83 177.67 3kt3 n TYR 188 N -3.70 0.01 -1.68 3.99 9.36 0.07 -4.96 117.16 120.25 3kt3 n TYR 188 Ca -0.08 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.69 3kt3 n TYR 188 Cb 0.91 -0.10 -0.04 0.00 -0.63 0.00 0.00 39.34 39.48 3kt3 n TYR 188 CO 0.00 0.00 0.00 -0.12 0.22 0.00 0.00 176.86 176.96 3kt3 n MET 189 N -1.63 2.31 0.00 2.98 1.56 0.31 -4.79 117.12 117.86 3kt3 n MET 189 Ca 0.03 0.83 0.00 0.00 -0.27 0.00 0.00 57.70 58.29 3kt3 n MET 189 Cb 0.37 -2.62 0.00 0.00 2.15 0.00 0.00 33.22 33.12 3kt3 n MET 189 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3kt3 n GLY 190 N 3.51 1.45 7.00 -5.12 0.00 -1.26 -4.97 105.19 105.80 3kt3 n GLY 190 Ca 0.17 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3kt3 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt3 n GLY 191 N -1.89 1.64 0.25 -0.02 0.00 -1.26 -1.72 105.19 102.19 3kt3 n GLY 191 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.67 3kt3 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt3 h ALA 192 N -0.47 1.90 -0.02 4.61 0.00 -1.87 -1.64 119.26 121.76 3kt3 h ALA 192 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kt3 h ALA 192 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kt3 h ALA 192 CO 0.00 0.07 0.02 0.35 0.00 0.00 0.00 179.25 179.68 3kt3 h PHE 193 N 0.00 0.03 -0.46 0.00 3.57 -1.60 -0.84 116.94 117.64 3kt3 h PHE 193 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3kt3 h PHE 193 Cb 0.09 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3kt3 h PHE 193 CO 0.00 0.04 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.14 3kt3 h TYR 194 N 0.01 0.87 -0.75 0.41 3.20 -0.53 -0.66 116.97 119.51 3kt3 h TYR 194 Ca 0.01 -0.14 0.08 0.00 3.14 0.00 0.00 58.73 61.81 3kt3 h TYR 194 Cb 0.02 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 37.99 3kt3 h TYR 194 CO -0.07 0.83 0.43 0.93 -1.64 0.00 0.00 178.16 178.64 3kt3 h GLU 195 N 0.73 0.73 -0.33 1.82 5.08 -1.16 -0.29 114.58 121.18 3kt3 h GLU 195 Ca 0.13 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3kt3 h GLU 195 Cb 0.53 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3kt3 h GLU 195 CO 0.03 0.48 -0.11 1.15 -1.00 0.00 0.00 179.01 179.56 3kt3 h THR 196 N 0.75 1.28 -0.27 1.13 2.02 -0.68 -1.14 112.91 116.01 3kt3 h THR 196 Ca 0.35 -1.19 0.06 0.00 0.77 0.00 0.00 66.41 66.40 3kt3 h THR 196 Cb 0.26 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 3kt3 h THR 196 CO -0.21 0.38 -0.11 0.58 0.37 0.00 0.00 175.52 176.53 3kt3 h VAL 197 N 0.43 0.64 -0.09 3.16 2.07 -0.73 0.16 116.25 121.88 3kt3 h VAL 197 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3kt3 h VAL 197 Cb 0.62 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3kt3 h VAL 197 CO 0.04 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 178.15 3kt3 h VAL 198 N -0.07 0.83 -0.61 2.57 2.07 -0.95 0.19 116.25 120.29 3kt3 h VAL 198 Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 3kt3 h VAL 198 Cb 0.27 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 3kt3 h VAL 198 CO -0.31 0.00 0.17 0.03 0.02 0.00 0.00 177.57 177.48 3kt3 h ARG 199 N -0.06 0.31 -0.24 1.57 3.08 -0.85 -2.47 114.38 115.72 3kt3 h ARG 199 Ca 0.06 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3kt3 h ARG 199 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3kt3 h ARG 199 CO -0.13 0.20 -0.03 0.28 -1.07 0.00 0.00 179.97 179.23 3kt3 h VAL 200 N 0.32 1.27 0.00 2.04 2.07 -0.42 -3.09 116.25 118.43 3kt3 h VAL 200 Ca 0.32 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3kt3 h VAL 200 Cb 0.44 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3kt3 h VAL 200 CO -0.37 0.30 0.06 0.77 0.02 0.00 0.00 177.57 178.36 3kt3 h SER 201 N 0.19 0.00 1.05 0.57 4.64 -0.17 0.84 113.55 120.67 3kt3 h SER 201 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kt3 h SER 201 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3kt3 h SER 201 CO 0.02 0.00 -0.35 -1.14 -0.87 0.00 0.00 176.83 174.48 3kt3 n ARG 202 N -2.86 0.23 -0.21 4.77 0.63 -1.07 -4.06 116.66 114.10 3kt3 n ARG 202 Ca -0.02 0.11 0.07 0.00 -0.92 0.00 0.00 57.85 57.09 3kt3 n ARG 202 Cb 0.12 -1.69 0.18 0.00 0.45 0.00 0.00 32.46 31.52 3kt3 n ARG 202 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3kt3 n GLN 203 N -2.06 2.79 -3.97 -0.14 1.13 0.29 -4.87 117.38 110.55 3kt3 n GLN 203 Ca 0.05 -2.14 -0.29 0.00 -1.94 0.00 0.00 57.00 52.67 3kt3 n GLN 203 Cb 0.42 -1.32 -0.16 0.00 0.11 0.00 0.00 30.24 29.28 3kt3 n GLN 203 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3kt3 s ILE 204 N -1.00 1.42 0.65 5.09 1.01 -1.22 -4.85 121.20 122.29 3kt3 s ILE 204 Ca 0.28 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3kt3 s ILE 204 Cb 0.14 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 3kt3 s ILE 204 CO 0.19 0.34 1.05 0.42 0.00 0.00 0.00 174.94 176.93 3kt3 s THR 205 N 1.53 4.20 0.23 2.92 -4.23 -1.26 -4.93 115.64 114.10 3kt3 s THR 205 Ca 0.03 0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 61.15 3kt3 s THR 205 Cb -0.14 -3.70 0.21 0.00 1.34 0.00 0.00 72.50 70.21 3kt3 s THR 205 CO -0.09 -0.92 1.90 1.23 -0.54 0.00 0.00 174.62 176.20 3kt3 h GLY 206 N -0.44 1.26 -0.16 3.99 0.00 -1.98 -1.96 103.07 103.77 3kt3 h GLY 206 Ca -0.44 -0.46 0.09 0.00 0.00 0.00 0.00 47.33 46.51 3kt3 h GLY 206 CO 0.63 0.44 -0.29 0.23 0.00 0.00 0.00 176.54 177.54 3kt3 h SER 207 N 1.18 -0.98 -0.31 0.19 0.87 -1.99 0.85 113.55 113.35 3kt3 h SER 207 Ca 0.33 0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 61.05 3kt3 h SER 207 Cb -0.10 0.48 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3kt3 h SER 207 CO -0.08 -0.30 0.09 0.74 -0.53 0.00 0.00 176.83 176.75 3kt3 h THR 208 N -0.21 1.21 -0.65 2.23 2.02 -1.87 -1.47 112.91 114.17 3kt3 h THR 208 Ca 0.19 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.72 3kt3 h THR 208 Cb 0.52 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 3kt3 h THR 208 CO -0.55 0.23 0.38 0.00 0.37 0.00 0.00 175.52 175.95 3kt3 h ALA 209 N 0.92 0.85 -0.43 6.16 0.00 -1.01 -0.08 119.26 125.67 3kt3 h ALA 209 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kt3 h ALA 209 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kt3 h ALA 209 CO -0.00 0.09 -0.01 0.87 0.00 0.00 0.00 179.25 180.19 3kt3 h LYS 210 N 0.72 0.77 -0.02 0.00 1.57 -0.67 -1.36 116.57 117.57 3kt3 h LYS 210 Ca 0.28 -0.25 -0.25 0.00 -1.87 0.00 0.00 60.65 58.56 3kt3 h LYS 210 Cb 0.11 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.36 3kt3 h LYS 210 CO -0.14 0.85 -0.97 0.00 -0.57 0.00 0.00 179.45 178.61 3kt3 h ALA 211 N 0.90 0.24 0.06 3.86 0.00 -1.03 -0.70 119.26 122.58 3kt3 h ALA 211 Ca 0.12 -0.68 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 3kt3 h ALA 211 Cb 0.51 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kt3 h ALA 211 CO 0.02 0.73 -0.57 0.28 0.00 0.00 0.00 179.25 179.71 3kt3 h VAL 212 N 0.37 1.52 -0.00 0.00 2.07 -1.08 -3.38 116.25 115.75 3kt3 h VAL 212 Ca -0.10 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3kt3 h VAL 212 Cb 1.61 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 34.35 3kt3 h VAL 212 CO 0.18 0.64 -0.89 0.49 0.02 0.00 0.00 177.57 178.02 3kt3 n PHE 213 N -4.27 0.00 -1.01 1.57 3.72 -0.51 -4.99 117.46 111.97 3kt3 n PHE 213 Ca -0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3kt3 n PHE 213 Cb 0.69 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.23 3kt3 n PHE 213 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kt3 n GLY 214 N 1.48 0.45 3.75 1.37 0.00 -0.28 -5.02 105.19 106.95 3kt3 n GLY 214 Ca 0.05 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 3kt3 n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kt3 s PHE 215 N -2.00 2.39 0.41 1.61 0.08 -1.20 -5.02 117.98 114.25 3kt3 s PHE 215 Ca 0.00 1.54 0.03 0.00 0.12 0.00 0.00 56.93 58.62 3kt3 s PHE 215 Cb 0.00 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 3kt3 s PHE 215 CO 0.00 -2.14 0.09 0.54 -0.10 0.00 0.00 175.22 173.61 3kt3 s ASN 216 N -1.83 2.92 0.54 1.36 2.20 -1.26 -4.59 114.94 114.27 3kt3 s ASN 216 Ca 0.75 -1.61 0.36 0.00 -0.94 0.00 0.00 52.86 51.42 3kt3 s ASN 216 Cb -0.28 0.37 1.77 0.00 -2.00 0.00 0.00 41.25 41.11 3kt3 s ASN 216 CO 0.36 -0.85 2.08 0.44 -2.94 0.00 0.00 177.10 176.19 3kt3 h ASP 217 N 1.79 0.00 1.51 3.54 5.19 -2.02 -1.77 116.42 124.66 3kt3 h ASP 217 Ca -0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3kt3 h ASP 217 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3kt3 h ASP 217 CO 0.62 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 177.51 3kt3 h SER 218 N 0.00 0.00 -4.07 6.45 4.64 -2.03 -3.45 113.55 115.09 3kt3 h SER 218 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3kt3 h SER 218 Cb 0.19 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.35 3kt3 h SER 218 CO 0.00 0.00 0.44 -1.81 -0.87 0.00 0.00 176.83 174.59 3kt3 s ASP 219 N -5.08 5.81 0.58 4.97 1.01 -0.67 -5.02 116.67 118.26 3kt3 s ASP 219 Ca 0.08 2.19 -0.16 0.00 0.71 0.00 0.00 52.55 55.37 3kt3 s ASP 219 Cb 0.10 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 3kt3 s ASP 219 CO 0.59 -1.16 1.06 0.00 0.21 0.00 0.00 175.17 175.87 3kt3 h ILE 221 N 0.62 0.45 -0.69 0.00 3.07 -1.95 -1.73 117.51 117.28 3kt3 h ILE 221 Ca -0.47 -0.27 -0.01 0.00 1.55 0.00 0.00 64.86 65.65 3kt3 h ILE 221 Cb 1.22 1.19 -0.03 0.00 -0.27 0.00 0.00 36.82 38.92 3kt3 h ILE 221 CO 0.58 0.06 0.38 1.23 -1.05 0.00 0.00 178.15 179.34 3kt3 h GLY 222 N 0.49 1.03 0.70 0.16 0.00 -1.98 -1.50 103.07 101.97 3kt3 h GLY 222 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3kt3 h GLY 222 CO 0.01 0.45 -0.01 0.50 0.00 0.00 0.00 176.54 177.49 3kt3 h LYS 223 N 0.95 -0.03 -0.95 4.80 1.57 -1.65 -1.61 116.57 119.66 3kt3 h LYS 223 Ca 0.24 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.27 3kt3 h LYS 223 Cb 0.04 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.23 3kt3 h LYS 223 CO -0.04 0.27 0.47 0.74 -0.57 0.00 0.00 179.45 180.33 3kt3 h PHE 224 N -0.33 0.79 0.00 -1.35 -1.00 -1.42 -2.54 116.94 111.08 3kt3 h PHE 224 Ca -0.00 0.04 -0.20 0.00 2.81 0.00 0.00 57.97 60.62 3kt3 h PHE 224 Cb 0.31 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 3kt3 h PHE 224 CO 0.03 -0.05 -1.09 1.25 -1.61 0.00 0.00 178.31 176.84 3kt3 h HIS 225 N 0.43 0.00 -0.89 -0.55 2.76 -1.09 -3.40 115.15 112.40 3kt3 h HIS 225 Ca 0.62 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.92 3kt3 h HIS 225 Cb 1.22 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 30.10 3kt3 h HIS 225 CO -0.08 0.85 0.51 0.35 -1.30 0.00 0.00 177.93 178.25 3kt3 h PHE 226 N 0.00 0.91 -1.29 5.26 3.57 -0.84 -1.60 116.94 122.95 3kt3 h PHE 226 Ca -0.08 0.03 0.37 0.00 3.53 0.00 0.00 57.97 61.82 3kt3 h PHE 226 Cb 1.72 -0.27 -0.08 0.00 2.79 0.00 0.00 35.95 40.11 3kt3 h PHE 226 CO 0.00 0.30 0.89 0.00 -2.23 0.00 0.00 178.31 177.26 3kt3 h ALA 227 N 1.53 2.94 -0.81 2.41 0.00 -1.78 0.58 119.26 124.14 3kt3 h ALA 227 Ca 0.47 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.53 3kt3 h ALA 227 Cb 0.56 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 3kt3 h ALA 227 CO -0.31 -1.38 0.38 0.77 0.00 0.00 0.00 179.25 178.71 3kt3 h SER 228 N 0.11 0.43 -0.04 0.00 0.02 -1.61 -0.08 113.55 112.38 3kt3 h SER 228 Ca 0.67 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.68 3kt3 h SER 228 Cb 2.35 0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.92 3kt3 h SER 228 CO -0.15 0.18 -0.10 0.40 -1.14 0.00 0.00 176.83 176.02 3kt3 h ILE 229 N 0.56 1.44 -0.54 3.27 2.04 -0.01 0.82 117.51 125.08 3kt3 h ILE 229 Ca 0.44 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 3kt3 h ILE 229 Cb 0.63 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 3kt3 h ILE 229 CO -0.37 0.39 0.14 -0.61 0.00 0.00 0.00 178.15 177.70 3kt3 h GLN 230 N -0.38 0.82 -0.28 2.37 4.15 -1.47 -2.78 115.11 117.54 3kt3 h GLN 230 Ca 0.00 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.16 3kt3 h GLN 230 Cb 0.69 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 3kt3 h GLN 230 CO 0.02 0.73 -0.20 0.82 -1.93 0.00 0.00 178.83 178.27 3kt3 h ILE 231 N 0.79 1.30 -0.65 2.39 2.04 -0.99 -3.22 117.51 119.18 3kt3 h ILE 231 Ca 0.18 -1.34 0.12 0.00 1.00 0.00 0.00 64.86 64.82 3kt3 h ILE 231 Cb 0.28 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3kt3 h ILE 231 CO -0.00 0.42 0.44 0.00 0.00 0.00 0.00 178.15 179.01 3kt3 h ALA 232 N 0.72 2.06 0.00 1.87 0.00 -0.57 -0.44 119.26 122.90 3kt3 h ALA 232 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kt3 h ALA 232 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kt3 h ALA 232 CO 0.05 -0.22 0.00 1.15 0.00 0.00 0.00 179.25 180.23 3kt3 h THR 233 N 0.40 0.00 0.00 0.00 2.02 -1.51 -2.29 112.91 111.52 3kt3 h THR 233 Ca 0.31 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3kt3 h THR 233 Cb 0.66 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3kt3 h THR 233 CO -0.09 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.80 3kt3 n ALA 234 N -2.04 2.16 -2.91 6.16 0.00 -0.17 -4.77 120.51 118.94 3kt3 n ALA 234 Ca -0.01 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 3kt3 n ALA 234 Cb 0.20 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.13 3kt3 n ALA 234 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kt3 s PHE 235 N -2.84 2.94 0.52 0.00 0.08 -0.86 -4.40 117.98 113.42 3kt3 s PHE 235 Ca 0.16 -0.34 0.40 0.00 0.12 0.00 0.00 56.93 57.27 3kt3 s PHE 235 Cb 0.16 -1.87 2.09 0.00 -0.57 0.00 0.00 43.02 42.83 3kt3 s PHE 235 CO 0.42 -0.01 2.26 -1.00 -0.10 0.00 0.00 175.22 176.79 3kt3 h PRO 236 N 6.40 0.00 0.00 0.24 0.13 -1.81 -1.94 132.00 135.02 3kt3 h PRO 236 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3kt3 h PRO 236 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kt3 h PRO 236 CO 0.59 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 179.03 3kt3 h SER 237 N 0.00 0.00 1.15 1.44 4.64 -1.85 0.09 113.55 119.02 3kt3 h SER 237 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kt3 h SER 237 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3kt3 h SER 237 CO 0.00 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.24 3kt3 h SER 238 N 0.00 0.00 -2.09 4.97 0.02 -1.57 -3.37 113.55 111.51 3kt3 h SER 238 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3kt3 h SER 238 Cb 0.10 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.23 3kt3 h SER 238 CO 0.00 0.00 -0.91 0.49 -1.14 0.00 0.00 176.83 175.27 3kt3 n PHE 239 N -2.53 2.24 -0.10 3.45 3.72 0.02 -3.82 117.46 120.44 3kt3 n PHE 239 Ca 0.03 -3.84 -0.02 0.00 -0.05 0.00 0.00 57.45 53.57 3kt3 n PHE 239 Cb 0.34 -0.44 0.23 0.00 -0.94 0.00 0.00 39.48 38.67 3kt3 n PHE 239 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3kt3 h PRO 240 N 2.97 0.75 -0.59 -1.08 0.13 -1.73 0.25 132.00 132.71 3kt3 h PRO 240 Ca 0.12 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3kt3 h PRO 240 Cb 0.75 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3kt3 h PRO 240 CO 0.67 0.67 0.00 0.09 -0.23 0.00 0.00 178.00 179.20 3kt3 n ASN 241 N -4.30 3.75 -0.03 1.44 3.02 -1.26 -2.99 115.26 114.89 3kt3 n ASN 241 Ca 0.04 -1.99 -0.07 0.00 -0.03 0.00 0.00 54.58 52.53 3kt3 n ASN 241 Cb 0.21 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3kt3 n ASN 241 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kt3 n VAL 242 N 1.56 0.47 -0.11 2.41 0.31 -1.04 -3.43 118.33 118.50 3kt3 n VAL 242 Ca 0.22 -0.04 -0.25 0.00 -0.01 0.00 0.00 64.34 64.26 3kt3 n VAL 242 Cb 0.61 -1.61 -0.11 0.00 -0.91 0.00 0.00 33.84 31.82 3kt3 n VAL 242 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kt3 n LEU 243 N -3.35 2.23 -3.53 7.52 4.77 0.03 -0.99 117.00 123.68 3kt3 n LEU 243 Ca -0.12 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 3kt3 n LEU 243 Cb 0.54 -0.91 0.08 0.00 -2.33 0.00 0.00 43.42 40.80 3kt3 n LEU 243 CO 0.01 0.61 0.23 0.61 -1.33 0.00 0.00 177.39 177.53 3kt3 n GLY 244 N 1.59 -0.51 3.78 -0.72 0.00 -0.93 -4.87 105.19 103.53 3kt3 n GLY 244 Ca -0.45 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3kt3 n GLY 244 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kt3 s LEU 245 N -7.12 3.80 0.49 0.99 1.43 -1.26 -5.09 118.68 111.93 3kt3 s LEU 245 Ca 0.53 -0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 3kt3 s LEU 245 Cb -0.23 -2.48 -0.10 0.00 0.03 0.00 0.00 46.19 43.41 3kt3 s LEU 245 CO 0.72 0.16 0.62 -2.65 0.23 0.00 0.00 176.35 175.42 3kt3 n PRO 246 N 0.37 0.67 -0.09 1.29 -0.02 -1.26 -4.73 135.00 131.23 3kt3 n PRO 246 Ca -0.09 0.25 0.23 0.00 -2.02 0.00 0.00 63.50 61.87 3kt3 n PRO 246 Cb 0.52 -1.69 0.67 0.00 -0.02 0.00 0.00 33.50 32.98 3kt3 n PRO 246 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kt3 h ASP 247 N 0.66 0.06 -0.40 2.55 3.45 -1.94 -1.81 116.42 118.99 3kt3 h ASP 247 Ca -0.43 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.03 3kt3 h ASP 247 Cb 1.39 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.15 3kt3 h ASP 247 CO 0.50 0.03 0.00 0.29 -1.57 0.00 0.00 179.24 178.49 3kt3 n LYS 248 N -4.36 2.68 -2.60 3.56 5.02 -1.26 -4.40 118.16 116.80 3kt3 n LYS 248 Ca 0.14 -1.75 -0.43 0.00 -2.02 0.00 0.00 58.31 54.25 3kt3 n LYS 248 Cb 0.73 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 3kt3 n LYS 248 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kt3 s THR 249 N -1.73 4.59 0.61 -0.18 2.01 -0.68 -4.39 115.64 115.87 3kt3 s THR 249 Ca 0.31 1.90 -0.09 0.00 0.31 0.00 0.00 61.69 64.12 3kt3 s THR 249 Cb 0.20 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 3kt3 s THR 249 CO 0.15 -0.11 0.99 -2.16 -0.69 0.00 0.00 174.62 172.80 3kt3 s PRO 250 N 2.84 3.30 0.32 4.92 0.04 -1.26 -4.45 135.00 140.72 3kt3 s PRO 250 Ca 0.48 0.47 0.09 0.00 0.04 0.00 0.00 61.00 62.09 3kt3 s PRO 250 Cb -0.18 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3kt3 s PRO 250 CO 0.12 -0.65 -0.00 0.00 0.04 0.00 0.00 177.00 176.52 3kt3 s LEU 252 N -3.70 3.13 -0.35 0.00 2.96 -0.00 -0.83 118.68 119.89 3kt3 s LEU 252 Ca 0.34 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3kt3 s LEU 252 Cb -0.02 -1.75 0.08 0.00 0.50 0.00 0.00 46.19 44.99 3kt3 s LEU 252 CO 0.19 0.14 0.09 -0.63 -1.32 0.00 0.00 176.35 174.82 3kt3 s ILE 253 N 0.52 3.11 0.09 6.68 1.01 0.25 -1.77 121.20 131.10 3kt3 s ILE 253 Ca -0.04 -1.68 -0.26 0.00 0.00 0.00 0.00 60.65 58.67 3kt3 s ILE 253 Cb -0.15 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 3kt3 s ILE 253 CO 0.03 -0.36 0.79 -2.16 0.00 0.00 0.00 174.94 173.24 3kt3 s PRO 254 N 1.20 4.55 0.08 2.79 0.05 -1.25 -1.57 135.00 140.85 3kt3 s PRO 254 Ca 0.01 1.14 -0.27 0.00 0.05 0.00 0.00 61.00 61.93 3kt3 s PRO 254 Cb -0.21 -3.33 0.09 0.00 0.05 0.00 0.00 34.50 31.10 3kt3 s PRO 254 CO -0.02 0.37 1.06 0.00 0.05 0.00 0.00 177.00 178.46 3kt3 s ALA 256 N -2.99 2.99 0.53 0.00 0.00 -1.26 -0.79 121.76 120.24 3kt3 s ALA 256 Ca 0.12 0.29 0.18 0.00 0.00 0.00 0.00 51.96 52.55 3kt3 s ALA 256 Cb 0.01 -3.15 1.00 0.00 0.00 0.00 0.00 23.12 20.97 3kt3 s ALA 256 CO -0.01 -0.27 1.53 0.97 0.00 0.00 0.00 175.76 177.98 3kt3 h ILE 257 N 1.06 0.00 0.00 0.00 6.09 -1.78 -1.94 117.51 120.94 3kt3 h ILE 257 Ca -0.47 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.00 3kt3 h ILE 257 Cb 1.19 0.41 -0.00 0.00 0.47 0.00 0.00 36.82 38.89 3kt3 h ILE 257 CO 0.60 0.00 -0.09 -2.24 -3.07 0.00 0.00 178.15 173.35 3kt3 h ASP 258 N 0.00 0.00 0.44 2.19 -0.00 -1.88 -2.88 116.42 114.29 3kt3 h ASP 258 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3kt3 h ASP 258 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.33 3kt3 h ASP 258 CO 0.00 0.09 -0.35 0.00 -0.00 0.00 0.00 179.24 178.99 3kt3 n GLN 259 N -3.31 0.34 -0.19 4.15 1.13 -0.73 -2.49 117.38 116.28 3kt3 n GLN 259 Ca -0.01 -0.18 0.09 0.00 -1.94 0.00 0.00 57.00 54.96 3kt3 n GLN 259 Cb 0.30 -1.50 0.38 0.00 0.11 0.00 0.00 30.24 29.53 3kt3 n GLN 259 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 3kt3 h ASP 260 N 0.45 0.62 -0.65 1.08 1.82 -1.70 -2.82 116.42 115.21 3kt3 h ASP 260 Ca 0.00 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.77 3kt3 h ASP 260 Cb 0.49 -0.12 -0.08 0.00 0.68 0.00 0.00 39.33 40.30 3kt3 h ASP 260 CO 0.00 0.37 0.21 -0.65 -1.61 0.00 0.00 179.24 177.56 3kt3 h PRO 261 N 0.69 0.35 -0.81 0.28 0.11 -1.83 -0.39 132.00 130.40 3kt3 h PRO 261 Ca 0.34 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.60 3kt3 h PRO 261 Cb 0.43 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 31.35 3kt3 h PRO 261 CO -0.12 0.23 0.33 1.88 -0.21 0.00 0.00 178.00 180.11 3kt3 h TYR 262 N 0.36 0.55 -0.00 0.65 -1.99 -1.84 -2.75 116.97 111.96 3kt3 h TYR 262 Ca 0.34 0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.11 3kt3 h TYR 262 Cb 0.48 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.09 3kt3 h TYR 262 CO -0.20 0.02 -0.52 1.19 -0.00 0.00 0.00 178.16 178.65 3kt3 n PHE 263 N -5.02 0.00 -0.06 4.88 3.01 -0.42 -1.72 117.46 118.13 3kt3 n PHE 263 Ca 0.17 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.48 3kt3 n PHE 263 Cb 0.50 -0.14 -0.06 0.00 -0.01 0.00 0.00 39.48 39.78 3kt3 n PHE 263 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kt3 h ARG 264 N 0.62 0.78 -0.50 -1.08 3.08 -0.84 -2.24 114.38 114.21 3kt3 h ARG 264 Ca 0.00 -0.54 -0.13 0.00 0.07 0.00 0.00 59.98 59.39 3kt3 h ARG 264 Cb 0.53 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3kt3 h ARG 264 CO 0.00 1.16 -0.19 0.28 -1.07 0.00 0.00 179.97 180.15 3kt3 h VAL 265 N 0.53 1.27 -0.22 2.04 2.07 -1.43 -2.62 116.25 117.88 3kt3 h VAL 265 Ca -0.01 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.21 3kt3 h VAL 265 Cb 1.17 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3kt3 h VAL 265 CO 0.12 0.47 -0.13 0.00 0.02 0.00 0.00 177.57 178.06 3kt3 h ARG 267 N -0.11 0.02 -0.01 0.00 3.08 -1.29 -0.45 114.38 115.62 3kt3 h ARG 267 Ca 0.12 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 3kt3 h ARG 267 Cb 0.29 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3kt3 h ARG 267 CO -0.29 0.08 -0.50 0.22 -1.07 0.00 0.00 179.97 178.41 3kt3 h ASP 268 N 0.02 0.04 0.58 7.04 3.58 -0.98 -3.28 116.42 123.42 3kt3 h ASP 268 Ca 0.00 -0.02 -0.24 0.00 0.42 0.00 0.00 57.03 57.19 3kt3 h ASP 268 Cb 0.12 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 3kt3 h ASP 268 CO 0.01 0.53 -1.58 0.58 -2.88 0.00 0.00 179.24 175.90 3kt3 h VAL 269 N 0.03 0.72 -0.74 2.25 2.07 -0.53 -3.39 116.25 116.66 3kt3 h VAL 269 Ca -0.00 -2.43 0.09 0.00 0.82 0.00 0.00 66.70 65.18 3kt3 h VAL 269 Cb 0.90 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.86 3kt3 h VAL 269 CO 0.07 0.41 0.39 0.00 0.02 0.00 0.00 177.57 178.45 3kt3 h ALA 270 N 1.17 1.04 0.70 1.67 0.00 -1.19 -2.75 119.26 119.90 3kt3 h ALA 270 Ca -0.23 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3kt3 h ALA 270 Cb 1.84 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3kt3 h ALA 270 CO 0.07 -0.01 -0.48 -0.44 0.00 0.00 0.00 179.25 178.38 3kt3 h ASP 271 N 0.65 -1.25 0.57 0.00 3.45 -1.76 -0.66 116.42 117.42 3kt3 h ASP 271 Ca 0.36 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.88 3kt3 h ASP 271 Cb 0.37 0.38 -0.00 0.00 -0.56 0.00 0.00 39.33 39.52 3kt3 h ASP 271 CO -0.26 -0.71 -0.11 0.07 -1.57 0.00 0.00 179.24 176.65 3kt3 h LYS 272 N -1.13 0.00 -0.00 3.56 2.10 -1.80 -0.64 116.57 118.66 3kt3 h LYS 272 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 3kt3 h LYS 272 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 3kt3 h LYS 272 CO 0.06 0.11 -0.01 1.28 -2.00 0.00 0.00 179.45 178.89 3kt3 n LEU 273 N -3.43 0.11 -2.92 7.07 4.77 -1.04 -4.91 117.00 116.65 3kt3 n LEU 273 Ca -0.01 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 3kt3 n LEU 273 Cb 0.27 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3kt3 n LEU 273 CO 0.29 0.02 0.06 0.29 -1.33 0.00 0.00 177.39 176.72 3kt3 n LYS 274 N -1.00 -5.26 -4.34 3.23 5.02 -0.25 -5.02 118.16 110.54 3kt3 n LYS 274 Ca 0.21 0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 57.02 3kt3 n LYS 274 Cb 0.16 -5.56 -0.04 0.00 -0.02 0.00 0.00 35.03 29.58 3kt3 n LYS 274 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3kt3 s TYR 275 N -3.17 1.69 -0.07 2.13 2.02 -0.28 -4.62 117.35 115.05 3kt3 s TYR 275 Ca 0.35 -0.92 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 3kt3 s TYR 275 Cb -0.15 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 3kt3 s TYR 275 CO 0.43 -0.14 0.15 -1.12 -1.57 0.00 0.00 175.55 173.30 3kt3 s SER 276 N -4.09 6.31 0.21 2.29 0.01 -1.26 -4.34 113.70 112.83 3kt3 s SER 276 Ca 0.18 0.40 -0.30 0.00 1.31 0.00 0.00 55.95 57.54 3kt3 s SER 276 Cb -0.01 -2.00 -0.09 0.00 0.21 0.00 0.00 66.02 64.13 3kt3 s SER 276 CO 0.11 0.35 1.34 -0.54 0.41 0.00 0.00 173.24 174.91 3kt3 s LYS 277 N -1.41 4.36 0.38 12.44 1.02 -1.26 -4.81 119.74 130.46 3kt3 s LYS 277 Ca 0.20 2.12 -0.24 0.00 0.02 0.00 0.00 55.97 58.07 3kt3 s LYS 277 Cb -0.12 -3.17 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 3kt3 s LYS 277 CO 0.10 -0.29 0.98 -1.25 -0.92 0.00 0.00 175.35 173.97 3kt3 s PRO 278 N -0.22 4.31 0.48 -1.68 0.04 -1.26 -4.69 135.00 131.98 3kt3 s PRO 278 Ca 0.57 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 3kt3 s PRO 278 Cb -0.38 -2.51 -0.07 0.00 0.04 0.00 0.00 34.50 31.58 3kt3 s PRO 278 CO 0.40 0.03 0.90 0.00 0.04 0.00 0.00 177.00 178.37 3kt3 s ALA 279 N -1.80 3.18 0.04 8.56 0.00 -0.01 -4.87 121.76 126.86 3kt3 s ALA 279 Ca 0.57 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.59 3kt3 s ALA 279 Cb -0.17 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 3kt3 s ALA 279 CO 0.22 -0.17 -0.13 -0.51 0.00 0.00 0.00 175.76 175.17 3kt3 s LEU 280 N -4.03 2.19 -0.15 0.00 1.02 0.30 -0.58 118.68 117.43 3kt3 s LEU 280 Ca 0.56 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 54.22 3kt3 s LEU 280 Cb -0.10 -0.55 0.03 0.00 0.02 0.00 0.00 46.19 45.59 3kt3 s LEU 280 CO 0.32 -0.00 -0.10 -0.76 0.02 0.00 0.00 176.35 175.83 3kt3 s LEU 281 N -1.26 1.68 -0.15 1.79 1.43 -0.61 -1.16 118.68 120.42 3kt3 s LEU 281 Ca 0.00 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 3kt3 s LEU 281 Cb -0.08 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 3kt3 s LEU 281 CO 0.01 -0.12 0.09 -1.00 0.23 0.00 0.00 176.35 175.57 3kt3 s HIS 282 N 1.55 3.39 0.19 0.29 3.76 0.86 -1.81 115.29 123.52 3kt3 s HIS 282 Ca 0.03 0.30 0.04 0.00 -0.15 0.00 0.00 55.06 55.28 3kt3 s HIS 282 Cb -0.14 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.53 3kt3 s HIS 282 CO -0.09 0.45 0.29 -1.54 -0.85 0.00 0.00 174.74 173.00 3kt3 s SER 283 N -0.36 6.18 1.03 1.40 1.04 0.03 -1.38 113.70 121.64 3kt3 s SER 283 Ca 0.10 0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.48 3kt3 s SER 283 Cb -0.12 -1.80 0.21 0.00 0.10 0.00 0.00 66.02 64.41 3kt3 s SER 283 CO 0.02 -0.00 1.07 -0.13 0.98 0.00 0.00 173.24 175.18 3kt3 s ARG 284 N -3.56 0.16 0.07 4.02 0.52 0.12 -2.26 118.95 118.01 3kt3 s ARG 284 Ca 0.34 0.82 -0.26 0.00 -0.52 0.00 0.00 55.73 56.10 3kt3 s ARG 284 Cb -0.10 -1.68 -0.06 0.00 0.52 0.00 0.00 34.95 33.63 3kt3 s ARG 284 CO 0.28 -2.99 0.82 -0.06 0.02 0.00 0.00 175.30 173.37 3kt3 s PHE 285 N -2.73 3.77 -0.18 -0.53 0.08 -1.26 -4.85 117.98 112.28 3kt3 s PHE 285 Ca 0.66 1.57 -0.29 0.00 0.12 0.00 0.00 56.93 59.00 3kt3 s PHE 285 Cb -0.21 -2.89 -0.05 0.00 -0.57 0.00 0.00 43.02 39.30 3kt3 s PHE 285 CO 0.60 0.26 1.94 0.12 -0.10 0.00 0.00 175.22 178.05 3kt3 s PHE 286 N -0.09 1.53 0.63 0.36 5.36 -1.26 -4.94 117.98 119.58 3kt3 s PHE 286 Ca 0.41 0.33 -0.18 0.00 -0.96 0.00 0.00 56.93 56.52 3kt3 s PHE 286 Cb -0.21 -4.04 -0.02 0.00 -0.34 0.00 0.00 43.02 38.41 3kt3 s PHE 286 CO 0.25 -3.96 1.26 -2.14 -1.46 0.00 0.00 175.22 169.17 3kt3 s PRO 287 N 5.37 2.72 0.79 10.12 0.02 -1.26 -1.19 135.00 151.56 3kt3 s PRO 287 Ca 0.87 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 63.73 3kt3 s PRO 287 Cb -0.32 -1.88 0.07 0.00 0.02 0.00 0.00 34.50 32.39 3kt3 s PRO 287 CO 0.35 -1.44 1.13 0.00 -0.33 0.00 0.00 177.00 176.71 3kt3 s ALA 288 N -1.49 2.05 0.48 -1.55 0.00 -0.85 -4.03 121.76 116.37 3kt3 s ALA 288 Ca 0.80 0.51 0.21 0.00 0.00 0.00 0.00 51.96 53.49 3kt3 s ALA 288 Cb -0.34 -3.36 1.23 0.00 0.00 0.00 0.00 23.12 20.64 3kt3 s ALA 288 CO 0.37 -1.98 1.94 1.25 0.00 0.00 0.00 175.76 177.34 3kt3 h LEU 289 N -1.00 0.20 0.00 0.00 5.85 -1.87 -0.48 115.31 118.02 3kt3 h LEU 289 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3kt3 h LEU 289 Cb 1.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3kt3 h LEU 289 CO 0.49 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.69 3kt3 n GLN 290 N -4.42 0.00 0.00 1.25 1.13 -1.26 -1.20 117.38 112.88 3kt3 n GLN 290 Ca 0.13 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 3kt3 n GLN 290 Cb 0.61 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.46 3kt3 n GLN 290 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kt3 n GLY 291 N 0.94 3.69 0.53 1.08 0.00 -0.19 -4.58 105.19 106.67 3kt3 n GLY 291 Ca 0.06 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3kt3 n GLY 291 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kt3 n SER 292 N 0.00 0.79 0.18 1.61 3.41 -1.26 -2.82 113.62 115.53 3kt3 n SER 292 Ca 0.00 -1.39 0.13 0.00 -0.26 0.00 0.00 58.87 57.35 3kt3 n SER 292 Cb 0.00 -0.35 0.40 0.00 -0.26 0.00 0.00 64.21 64.00 3kt3 n SER 292 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kt3 h THR 293 N 0.02 0.00 -3.69 6.66 1.03 -1.89 -2.59 112.91 112.45 3kt3 h THR 293 Ca 0.00 -0.61 -0.10 0.00 -0.01 0.00 0.00 66.41 65.69 3kt3 h THR 293 Cb 0.37 1.56 -0.08 0.00 -1.07 0.00 0.00 68.15 68.93 3kt3 h THR 293 CO 0.00 0.00 -0.09 0.28 -0.01 0.00 0.00 175.52 175.70 3kt3 s THR 294 N -3.29 0.00 0.06 0.00 -1.32 -1.13 -2.30 115.64 107.67 3kt3 s THR 294 Ca 0.06 -1.40 -0.03 0.00 -1.21 0.00 0.00 61.69 59.11 3kt3 s THR 294 Cb 0.09 -2.38 -0.05 0.00 -1.51 0.00 0.00 72.50 68.65 3kt3 s THR 294 CO 0.57 0.00 0.27 -1.59 -2.21 0.00 0.00 174.62 171.66 3kt3 s LYS 295 N -3.60 3.53 0.16 7.08 -2.85 -1.26 -2.00 119.74 120.79 3kt3 s LYS 295 Ca 0.23 -0.23 -0.31 0.00 -1.00 0.00 0.00 55.97 54.66 3kt3 s LYS 295 Cb -0.01 -3.01 -0.11 0.00 -2.06 0.00 0.00 37.83 32.65 3kt3 s LYS 295 CO 0.12 0.59 1.71 1.41 0.10 0.00 0.00 175.35 179.28 3kt3 s MET 296 N -2.27 4.16 0.01 1.78 -2.45 -0.33 -4.32 119.30 115.88 3kt3 s MET 296 Ca 0.34 2.52 -0.01 0.00 -1.25 0.00 0.00 55.69 57.28 3kt3 s MET 296 Cb -0.13 -3.32 -0.01 0.00 1.25 0.00 0.00 34.83 32.62 3kt3 s MET 296 CO 0.23 -0.75 -0.00 0.45 1.05 0.00 0.00 175.02 176.00 3kt3 s SER 297 N 1.80 0.18 0.56 1.11 0.15 -1.26 -4.89 113.70 111.35 3kt3 s SER 297 Ca 0.76 -0.41 0.32 0.00 0.70 0.00 0.00 55.95 57.32 3kt3 s SER 297 Cb -0.46 0.11 1.67 0.00 -1.71 0.00 0.00 66.02 65.63 3kt3 s SER 297 CO 0.33 -0.28 2.13 0.00 1.20 0.00 0.00 173.24 176.62 3kt3 h ALA 298 N 4.73 1.18 -1.03 5.45 0.00 -1.97 -2.34 119.26 125.28 3kt3 h ALA 298 Ca -0.31 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 54.80 3kt3 h ALA 298 Cb 1.21 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 3kt3 h ALA 298 CO 0.42 0.08 0.65 1.03 0.00 0.00 0.00 179.25 181.43 3kt3 h SER 299 N 0.00 0.50 -3.43 0.00 0.87 -1.99 -3.40 113.55 106.11 3kt3 h SER 299 Ca -0.00 0.09 -0.54 0.00 -1.23 0.00 0.00 61.79 60.11 3kt3 h SER 299 Cb 0.27 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3kt3 h SER 299 CO 0.01 0.10 0.13 -1.81 -0.53 0.00 0.00 176.83 174.73 3kt3 s ASP 300 N -5.26 7.23 -0.09 6.23 1.01 -0.88 -5.02 116.67 119.89 3kt3 s ASP 300 Ca -0.09 1.46 -0.02 0.00 0.71 0.00 0.00 52.55 54.61 3kt3 s ASP 300 Cb 0.26 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 3kt3 s ASP 300 CO 0.80 0.10 0.08 -0.78 0.21 0.00 0.00 175.17 175.57 3kt3 h ASP 301 N 5.20 -0.06 -0.42 0.27 -0.00 -1.86 -3.38 116.42 116.17 3kt3 h ASP 301 Ca -0.45 0.00 -0.29 0.00 -0.00 0.00 0.00 57.03 56.29 3kt3 h ASP 301 Cb 1.21 0.01 -0.20 0.00 -0.00 0.00 0.00 39.33 40.35 3kt3 h ASP 301 CO 0.69 0.42 -0.41 0.35 -0.00 0.00 0.00 179.24 180.28 3kt3 n THR 302 N -4.72 2.51 0.62 2.25 -2.24 -1.26 -4.29 114.28 107.15 3kt3 n THR 302 Ca -0.01 -3.45 0.07 0.00 -2.27 0.00 0.00 64.05 58.39 3kt3 n THR 302 Cb 0.03 -0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 67.54 3kt3 n THR 302 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kt3 n THR 303 N -0.97 0.00 -5.01 4.28 -1.04 -1.26 -4.99 114.28 105.30 3kt3 n THR 303 Ca 0.35 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.05 61.85 3kt3 n THR 303 Cb 0.88 0.96 -0.14 0.00 -1.82 0.00 0.00 70.33 70.21 3kt3 n THR 303 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kt3 s ALA 304 N -2.34 2.52 -0.52 2.41 0.00 -1.26 -2.84 121.76 119.73 3kt3 s ALA 304 Ca 0.05 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 3kt3 s ALA 304 Cb 0.10 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 22.46 3kt3 s ALA 304 CO 0.57 0.54 0.52 0.42 0.00 0.00 0.00 175.76 177.81 3kt3 s ILE 305 N -0.65 5.09 0.48 0.00 1.01 -1.26 -4.99 121.20 120.89 3kt3 s ILE 305 Ca 0.10 -1.09 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 3kt3 s ILE 305 Cb -0.11 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 37.99 3kt3 s ILE 305 CO 0.00 -0.81 1.01 -0.36 0.00 0.00 0.00 174.94 174.79 3kt3 s PHE 306 N 1.99 3.10 -2.00 3.97 0.08 -1.26 -1.66 117.98 122.20 3kt3 s PHE 306 Ca 0.07 1.57 0.07 0.00 0.12 0.00 0.00 56.93 58.76 3kt3 s PHE 306 Cb -0.25 -2.99 0.42 0.00 -0.57 0.00 0.00 43.02 39.63 3kt3 s PHE 306 CO 0.06 -0.65 0.84 -1.33 -0.10 0.00 0.00 175.22 174.04 3kt3 n MET 307 N -1.03 0.26 0.00 0.44 2.81 -0.55 -1.78 117.12 117.27 3kt3 n MET 307 Ca 0.08 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.06 3kt3 n MET 307 Cb 0.53 -1.42 0.01 0.00 -0.71 0.00 0.00 33.22 31.64 3kt3 n MET 307 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3kt3 n THR 308 N -0.92 0.00 -2.51 2.03 5.66 -1.26 -4.75 114.28 112.53 3kt3 n THR 308 Ca 0.05 -0.35 -0.38 0.00 -3.05 0.00 0.00 64.05 60.32 3kt3 n THR 308 Cb 0.02 1.24 -0.04 0.00 -1.55 0.00 0.00 70.33 70.00 3kt3 n THR 308 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3kt3 s ASP 309 N -1.92 6.94 0.67 1.09 1.01 -0.73 -5.06 116.67 118.67 3kt3 s ASP 309 Ca 0.16 2.14 -0.11 0.00 0.71 0.00 0.00 52.55 55.44 3kt3 s ASP 309 Cb 0.14 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 3kt3 s ASP 309 CO 0.40 -0.37 1.05 0.42 0.21 0.00 0.00 175.17 176.89 3kt3 s THR 310 N -1.45 4.22 0.31 -1.27 -4.23 -1.26 -4.87 115.64 107.09 3kt3 s THR 310 Ca 0.53 0.72 0.06 0.00 -1.18 0.00 0.00 61.69 61.82 3kt3 s THR 310 Cb -0.26 -3.63 0.31 0.00 1.34 0.00 0.00 72.50 70.26 3kt3 s THR 310 CO 0.33 -0.94 1.82 -0.65 -0.54 0.00 0.00 174.62 174.64 3kt3 h PRO 311 N -0.54 0.78 -0.67 3.99 0.11 -1.97 -1.48 132.00 132.22 3kt3 h PRO 311 Ca -0.44 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3kt3 h PRO 311 Cb 1.21 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3kt3 h PRO 311 CO 0.61 0.52 0.28 -0.22 -0.21 0.00 0.00 178.00 178.97 3kt3 h LYS 312 N 0.80 1.00 -0.46 1.05 3.64 -1.99 -2.46 116.57 118.14 3kt3 h LYS 312 Ca 0.52 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.61 3kt3 h LYS 312 Cb 0.76 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3kt3 h LYS 312 CO -0.30 0.82 -0.18 1.96 -2.27 0.00 0.00 179.45 179.48 3kt3 h GLN 313 N 0.95 0.94 -0.00 1.90 4.20 -1.67 -0.19 115.11 121.23 3kt3 h GLN 313 Ca 0.23 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.55 3kt3 h GLN 313 Cb 0.19 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3kt3 h GLN 313 CO -0.02 1.06 -0.07 0.82 -0.67 0.00 0.00 178.83 179.95 3kt3 h ILE 314 N 0.78 0.82 -0.09 2.54 2.04 -1.31 -0.74 117.51 121.56 3kt3 h ILE 314 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 3kt3 h ILE 314 Cb 0.75 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3kt3 h ILE 314 CO 0.06 0.00 -0.09 -0.61 0.00 0.00 0.00 178.15 177.51 3kt3 h GLN 315 N -0.12 -0.11 -0.67 2.37 4.15 -1.30 -1.38 115.11 118.04 3kt3 h GLN 315 Ca 0.03 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 3kt3 h GLN 315 Cb 0.16 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 3kt3 h GLN 315 CO -0.07 -0.07 0.36 -0.22 -1.93 0.00 0.00 178.83 176.89 3kt3 h LYS 316 N -0.12 0.94 -0.35 1.69 3.64 -0.92 -1.21 116.57 120.24 3kt3 h LYS 316 Ca 0.07 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3kt3 h LYS 316 Cb 0.21 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kt3 h LYS 316 CO -0.16 0.72 0.11 0.87 -2.27 0.00 0.00 179.45 178.72 3kt3 h LYS 317 N 0.92 0.55 -0.05 1.90 1.57 -0.96 -1.51 116.57 118.99 3kt3 h LYS 317 Ca 0.23 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3kt3 h LYS 317 Cb 0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3kt3 h LYS 317 CO -0.04 0.57 0.01 0.82 -0.57 0.00 0.00 179.45 180.25 3kt3 h ILE 318 N 0.42 1.17 -0.40 1.86 1.08 -1.13 -0.62 117.51 119.89 3kt3 h ILE 318 Ca 0.11 -0.51 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 3kt3 h ILE 318 Cb 0.25 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 3kt3 h ILE 318 CO -0.00 0.14 0.25 0.78 -0.69 0.00 0.00 178.15 178.62 3kt3 h ASN 319 N -0.13 0.47 0.05 1.72 2.35 -1.20 -2.19 115.58 116.66 3kt3 h ASN 319 Ca 0.01 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 3kt3 h ASN 319 Cb 0.21 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.48 3kt3 h ASN 319 CO -0.00 0.37 -0.54 0.50 -1.65 0.00 0.00 177.43 176.11 3kt3 h LYS 320 N 0.53 0.27 0.00 0.81 3.64 -1.32 -3.42 116.57 117.08 3kt3 h LYS 320 Ca 0.14 -0.36 -0.19 0.00 -1.27 0.00 0.00 60.65 58.97 3kt3 h LYS 320 Cb -0.02 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 3kt3 h LYS 320 CO -0.03 1.11 -2.00 0.66 -2.27 0.00 0.00 179.45 176.92 3kt3 n TYR 321 N -4.29 0.00 -1.65 1.91 4.02 -0.24 -4.96 117.16 111.95 3kt3 n TYR 321 Ca -0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.35 3kt3 n TYR 321 Cb 0.67 -0.66 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 3kt3 n TYR 321 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kt3 s ALA 322 N -2.67 3.01 0.20 -0.72 0.00 -0.82 -4.23 121.76 116.53 3kt3 s ALA 322 Ca -0.07 0.93 -0.33 0.00 0.00 0.00 0.00 51.96 52.49 3kt3 s ALA 322 Cb 0.07 -4.00 -0.13 0.00 0.00 0.00 0.00 23.12 19.06 3kt3 s ALA 322 CO 0.68 -2.39 1.57 0.34 0.00 0.00 0.00 175.76 175.97 3kt3 n PHE 323 N 10.27 2.40 -4.06 0.00 7.35 -0.34 -4.94 117.46 128.14 3kt3 n PHE 323 Ca 0.26 0.26 -0.34 0.00 -0.76 0.00 0.00 57.45 56.88 3kt3 n PHE 323 Cb 0.44 -2.55 -0.07 0.00 0.35 0.00 0.00 39.48 37.65 3kt3 n PHE 323 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3kt3 s SER 324 N 0.78 5.85 0.00 -2.13 0.15 -1.26 -2.27 113.70 114.81 3kt3 s SER 324 Ca 0.74 0.22 0.23 0.00 0.70 0.00 0.00 55.95 57.84 3kt3 s SER 324 Cb -0.62 -1.73 0.56 0.00 -1.71 0.00 0.00 66.02 62.52 3kt3 s SER 324 CO 0.40 0.29 1.49 0.61 1.20 0.00 0.00 173.24 177.23 3kt3 n GLY 325 N 1.28 2.21 0.00 9.45 0.00 -1.26 -4.85 105.19 112.02 3kt3 n GLY 325 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3kt3 n GLY 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt3 n GLY 326 N 1.59 5.29 3.40 -0.02 0.00 -1.26 0.46 105.19 114.65 3kt3 n GLY 326 Ca 0.23 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 3kt3 n GLY 326 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kt3 s GLN 327 N 1.40 3.02 0.53 1.61 -1.52 -1.26 -4.98 119.66 118.45 3kt3 s GLN 327 Ca 0.00 -0.70 0.34 0.00 -1.95 0.00 0.00 55.36 53.05 3kt3 s GLN 327 Cb 0.00 -2.51 1.58 0.00 -0.22 0.00 0.00 33.01 31.86 3kt3 s GLN 327 CO 0.00 0.37 2.03 -0.24 -0.25 0.00 0.00 175.29 177.20 3kt3 h VAL 328 N 5.02 0.00 -3.49 1.09 3.04 -2.00 -3.42 116.25 116.49 3kt3 h VAL 328 Ca -0.33 -0.30 -0.61 0.00 -1.01 0.00 0.00 66.70 64.45 3kt3 h VAL 328 Cb 1.19 1.23 -0.13 0.00 -2.01 0.00 0.00 31.29 31.57 3kt3 h VAL 328 CO 0.53 0.00 -0.40 -0.94 -1.01 0.00 0.00 177.57 175.75 3kt3 s SER 329 N -5.23 6.25 0.24 3.17 1.04 -1.26 -5.00 113.70 112.91 3kt3 s SER 329 Ca -0.00 0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 3kt3 s SER 329 Cb 0.10 -2.15 0.36 0.00 0.10 0.00 0.00 66.02 64.43 3kt3 s SER 329 CO 0.46 0.04 1.82 0.00 0.98 0.00 0.00 173.24 176.55 3kt3 h ALA 330 N 7.29 1.15 -0.40 5.32 0.00 -1.99 -1.71 119.26 128.93 3kt3 h ALA 330 Ca -0.38 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3kt3 h ALA 330 Cb 1.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3kt3 h ALA 330 CO 0.70 0.15 0.12 -0.44 0.00 0.00 0.00 179.25 179.78 3kt3 h ASP 331 N 0.84 0.58 -0.38 0.00 3.32 -1.95 0.14 116.42 118.97 3kt3 h ASP 331 Ca 0.38 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 3kt3 h ASP 331 Cb 0.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3kt3 h ASP 331 CO -0.22 0.63 -0.26 0.25 -1.72 0.00 0.00 179.24 177.93 3kt3 h LEU 332 N 0.50 0.92 -0.34 1.55 5.85 -1.91 -2.77 115.31 119.10 3kt3 h LEU 332 Ca 0.13 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3kt3 h LEU 332 Cb 0.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3kt3 h LEU 332 CO -0.00 1.12 0.10 -0.74 -0.34 0.00 0.00 178.44 178.58 3kt3 h HIS 333 N 0.76 0.56 0.00 1.25 2.76 -1.00 0.39 115.15 119.88 3kt3 h HIS 333 Ca 0.09 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3kt3 h HIS 333 Cb 0.81 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 3kt3 h HIS 333 CO 0.05 0.56 -0.01 0.00 -1.30 0.00 0.00 177.93 177.23 3kt3 h ARG 334 N 0.40 0.00 0.00 5.26 3.08 -0.70 0.58 114.38 123.00 3kt3 h ARG 334 Ca 0.11 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3kt3 h ARG 334 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3kt3 h ARG 334 CO -0.00 0.01 -0.51 1.49 -1.07 0.00 0.00 179.97 179.88 3kt3 h GLU 335 N 0.00 0.00 0.19 0.04 4.57 -1.10 -3.43 114.58 114.86 3kt3 h GLU 335 Ca -0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 3kt3 h GLU 335 Cb 0.02 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3kt3 h GLU 335 CO 0.00 0.57 -1.70 -0.07 -1.18 0.00 0.00 179.01 176.63 3kt3 h LEU 336 N -1.00 0.64 0.00 1.64 3.38 -0.04 -3.48 115.31 116.45 3kt3 h LEU 336 Ca -0.11 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.96 3kt3 h LEU 336 Cb 0.78 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kt3 h LEU 336 CO -0.07 1.75 0.00 0.61 0.09 0.00 0.00 178.44 180.83 3kt3 n GLY 337 N 1.83 -2.68 3.39 0.83 0.00 0.20 -4.85 105.19 103.91 3kt3 n GLY 337 Ca -0.23 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 3kt3 n GLY 337 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kt3 s GLY 338 N -1.55 1.61 -0.42 -0.02 0.00 0.18 -4.55 107.32 102.57 3kt3 s GLY 338 Ca 0.00 -1.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.83 3kt3 s GLY 338 CO 0.00 -1.80 0.43 0.21 0.00 0.00 0.00 173.10 171.95 3kt3 s ASN 339 N -3.25 6.19 0.42 1.64 2.47 0.17 -3.58 114.94 119.01 3kt3 s ASN 339 Ca 0.24 -0.66 0.20 0.00 0.42 0.00 0.00 52.86 53.06 3kt3 s ASN 339 Cb -0.04 -2.22 0.91 0.00 -1.45 0.00 0.00 41.25 38.45 3kt3 s ASN 339 CO 0.10 -0.57 1.85 -0.65 -3.72 0.00 0.00 177.10 174.11 3kt3 h PRO 340 N 8.72 0.00 -0.22 0.43 0.11 -1.88 -2.83 132.00 136.33 3kt3 h PRO 340 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3kt3 h PRO 340 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3kt3 h PRO 340 CO 0.79 0.30 0.00 -0.44 -0.21 0.00 0.00 178.00 178.44 3kt3 h ASP 341 N 0.00 0.29 -0.02 -2.05 3.32 -1.97 -2.66 116.42 113.33 3kt3 h ASP 341 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3kt3 h ASP 341 Cb 0.69 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3kt3 h ASP 341 CO 0.04 0.35 -0.08 1.33 -1.72 0.00 0.00 179.24 179.16 3kt3 n VAL 342 N -4.36 0.00 -2.55 -1.35 0.24 -1.18 -4.94 118.33 104.18 3kt3 n VAL 342 Ca 0.00 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.34 61.41 3kt3 n VAL 342 Cb 0.19 1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 33.86 3kt3 n VAL 342 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kt3 s ASP 343 N -1.55 6.65 0.21 -1.34 -1.08 -1.00 -4.43 116.67 114.14 3kt3 s ASP 343 Ca 0.19 0.70 -0.09 0.00 -0.52 0.00 0.00 52.55 52.83 3kt3 s ASP 343 Cb 0.14 -2.55 0.28 0.00 -1.46 0.00 0.00 42.92 39.33 3kt3 s ASP 343 CO 0.26 -1.20 1.79 0.58 0.52 0.00 0.00 175.17 177.12 3kt3 h VAL 344 N 6.15 0.89 -0.52 1.11 2.07 -1.76 0.02 116.25 124.21 3kt3 h VAL 344 Ca -0.23 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3kt3 h VAL 344 Cb 1.07 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3kt3 h VAL 344 CO 1.10 0.11 0.34 0.00 0.02 0.00 0.00 177.57 179.13 3kt3 h ALA 345 N 1.38 0.66 -0.36 1.67 0.00 -1.91 0.32 119.26 121.01 3kt3 h ALA 345 Ca 0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3kt3 h ALA 345 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kt3 h ALA 345 CO -0.23 0.09 -0.07 -0.92 0.00 0.00 0.00 179.25 178.12 3kt3 h TYR 346 N 0.69 0.76 -0.16 0.00 5.03 -1.74 -1.87 116.97 119.69 3kt3 h TYR 346 Ca 0.19 -0.16 0.04 0.00 2.58 0.00 0.00 58.73 61.39 3kt3 h TYR 346 Cb -0.06 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 37.98 3kt3 h TYR 346 CO -0.04 0.83 -0.11 1.96 -1.32 0.00 0.00 178.16 179.48 3kt3 h GLN 347 N 0.48 -0.10 -0.68 1.82 1.08 -0.64 -0.97 115.11 116.10 3kt3 h GLN 347 Ca 0.09 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.35 3kt3 h GLN 347 Cb 0.57 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.97 3kt3 h GLN 347 CO 0.03 -0.07 0.39 1.88 -0.95 0.00 0.00 178.83 180.12 3kt3 h TYR 348 N -0.10 0.72 -0.08 2.96 -1.99 -0.91 -1.33 116.97 116.24 3kt3 h TYR 348 Ca 0.10 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.89 3kt3 h TYR 348 Cb 0.25 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.71 3kt3 h TYR 348 CO -0.25 0.36 -0.19 -0.07 -0.00 0.00 0.00 178.16 178.02 3kt3 h LEU 349 N 0.73 -0.57 -1.49 3.88 3.38 -0.77 -1.11 115.31 119.37 3kt3 h LEU 349 Ca 0.30 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 3kt3 h LEU 349 Cb 0.15 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kt3 h LEU 349 CO -0.17 -0.24 -0.25 0.77 0.09 0.00 0.00 178.44 178.64 3kt3 h SER 350 N -0.26 0.00 -0.56 -0.43 4.64 -0.74 0.21 113.55 116.41 3kt3 h SER 350 Ca 0.08 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 3kt3 h SER 350 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3kt3 h SER 350 CO -0.23 0.25 -0.06 -0.26 -0.87 0.00 0.00 176.83 175.66 3kt3 h PHE 351 N 0.00 1.14 -0.34 4.77 -1.00 -0.82 -3.35 116.94 117.34 3kt3 h PHE 351 Ca -0.00 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.56 3kt3 h PHE 351 Cb 0.53 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.80 3kt3 h PHE 351 CO 0.00 1.04 0.00 1.19 -1.61 0.00 0.00 178.31 178.93 3kt3 n PHE 352 N -4.18 0.55 -3.77 -0.55 3.72 -0.46 -4.90 117.46 107.87 3kt3 n PHE 352 Ca 0.02 -0.56 -0.21 0.00 -0.05 0.00 0.00 57.45 56.65 3kt3 n PHE 352 Cb 0.38 -0.07 -0.17 0.00 -0.94 0.00 0.00 39.48 38.67 3kt3 n PHE 352 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3kt3 s LYS 353 N -1.28 0.37 -0.76 -1.08 2.20 0.65 -4.95 119.74 114.88 3kt3 s LYS 353 Ca 0.27 0.18 -0.16 0.00 -0.36 0.00 0.00 55.97 55.90 3kt3 s LYS 353 Cb 0.16 -0.77 0.17 0.00 -1.51 0.00 0.00 37.83 35.88 3kt3 s LYS 353 CO 0.15 -0.28 0.78 0.34 -0.36 0.00 0.00 175.35 175.97 3kt3 s ASP 354 N 1.88 6.55 -0.37 1.43 2.15 -1.26 -4.68 116.67 122.38 3kt3 s ASP 354 Ca 0.03 -2.22 0.00 0.00 0.43 0.00 0.00 52.55 50.79 3kt3 s ASP 354 Cb -0.12 -2.26 0.18 0.00 -0.30 0.00 0.00 42.92 40.42 3kt3 s ASP 354 CO -0.04 -0.80 0.82 -0.62 -0.17 0.00 0.00 175.17 174.36 3kt3 s ASP 355 N 2.90 -1.00 0.17 -0.34 -1.08 -1.26 -5.06 116.67 111.01 3kt3 s ASP 355 Ca 0.17 -0.47 -0.14 0.00 -0.52 0.00 0.00 52.55 51.59 3kt3 s ASP 355 Cb -0.15 1.29 0.07 0.00 -1.46 0.00 0.00 42.92 42.67 3kt3 s ASP 355 CO -0.05 -0.11 1.83 0.44 0.52 0.00 0.00 175.17 177.80 3kt3 h ASP 356 N 6.37 0.56 0.06 -0.34 3.32 -1.99 -0.98 116.42 123.43 3kt3 h ASP 356 Ca 0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kt3 h ASP 356 Cb 1.20 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3kt3 h ASP 356 CO 0.02 0.41 -0.04 0.58 -1.72 0.00 0.00 179.24 178.49 3kt3 h VAL 357 N 0.67 0.91 -0.59 -1.35 2.07 -1.99 0.96 116.25 116.92 3kt3 h VAL 357 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 3kt3 h VAL 357 Cb -0.06 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3kt3 h VAL 357 CO -0.05 0.00 0.35 0.15 0.02 0.00 0.00 177.57 178.04 3kt3 h PHE 358 N -0.11 0.79 -0.68 1.57 3.04 -1.96 -1.76 116.94 117.83 3kt3 h PHE 358 Ca -0.00 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 3kt3 h PHE 358 Cb 0.09 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.32 3kt3 h PHE 358 CO -0.09 0.54 0.19 -0.07 -2.02 0.00 0.00 178.31 176.87 3kt3 h LEU 359 N 0.80 1.00 -0.52 0.59 4.07 -0.95 -1.26 115.31 119.04 3kt3 h LEU 359 Ca 0.21 -0.19 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 3kt3 h LEU 359 Cb -0.01 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 3kt3 h LEU 359 CO -0.04 0.94 -0.01 0.50 -1.08 0.00 0.00 178.44 178.76 3kt3 h LYS 360 N 1.02 0.92 0.11 1.13 3.64 -0.58 0.13 116.57 122.94 3kt3 h LYS 360 Ca 0.22 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3kt3 h LYS 360 Cb 0.32 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3kt3 h LYS 360 CO -0.00 0.94 -0.28 0.93 -2.27 0.00 0.00 179.45 178.77 3kt3 h GLU 361 N 0.79 -0.47 -0.85 1.90 5.08 -1.12 0.31 114.58 120.21 3kt3 h GLU 361 Ca 0.15 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.67 3kt3 h GLU 361 Cb 0.53 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 3kt3 h GLU 361 CO 0.03 -0.31 0.46 0.00 -1.00 0.00 0.00 179.01 178.18 3kt3 h TYR 363 N 0.68 -0.43 -0.28 0.00 3.20 -0.18 -2.14 116.97 117.81 3kt3 h TYR 363 Ca 0.45 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 62.15 3kt3 h TYR 363 Cb 0.59 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 3kt3 h TYR 363 CO -0.08 -0.22 -0.44 -0.44 -1.64 0.00 0.00 178.16 175.34 3kt3 h ASP 364 N -0.54 0.88 0.11 -2.11 3.32 -0.61 -2.70 116.42 114.77 3kt3 h ASP 364 Ca -0.05 -0.52 -0.05 0.00 0.02 0.00 0.00 57.03 56.43 3kt3 h ASP 364 Cb 0.41 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3kt3 h ASP 364 CO 0.08 1.22 -0.19 0.11 -1.72 0.00 0.00 179.24 178.75 3kt3 h LYS 365 N 0.56 0.16 -0.23 3.56 1.57 -0.85 -0.43 116.57 120.91 3kt3 h LYS 365 Ca 0.03 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 3kt3 h LYS 365 Cb 1.04 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3kt3 h LYS 365 CO 0.10 0.36 -0.58 -0.92 -0.57 0.00 0.00 179.45 177.83 3kt3 h TYR 366 N 0.15 0.95 -0.05 -1.35 3.20 -1.31 -0.35 116.97 118.22 3kt3 h TYR 366 Ca 0.03 -0.35 -0.16 0.00 3.14 0.00 0.00 58.73 61.39 3kt3 h TYR 366 Cb 0.43 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3kt3 h TYR 366 CO 0.00 1.15 -0.66 0.87 -1.64 0.00 0.00 178.16 177.88 3kt3 h LYS 367 N 0.56 0.23 0.00 1.82 1.57 -1.11 0.50 116.57 120.14 3kt3 h LYS 367 Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3kt3 h LYS 367 Cb 1.17 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3kt3 h LYS 367 CO 0.12 0.81 -0.15 0.66 -0.57 0.00 0.00 179.45 180.31 3kt3 h SER 368 N 0.16 0.00 0.00 0.86 4.64 -1.10 -3.38 113.55 114.73 3kt3 h SER 368 Ca -0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3kt3 h SER 368 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kt3 h SER 368 CO 0.10 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3kt3 n GLY 369 N 1.22 0.59 0.26 -0.77 0.00 -0.60 -4.66 105.19 101.23 3kt3 n GLY 369 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3kt3 n GLY 369 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kt3 h GLU 370 N 4.31 0.00 -4.95 1.61 5.08 -1.39 -3.38 114.58 115.86 3kt3 h GLU 370 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3kt3 h GLU 370 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 3kt3 h GLU 370 CO 0.00 0.12 -0.68 -1.17 -1.00 0.00 0.00 179.01 176.28 3kt3 s LEU 371 N -6.89 3.20 0.49 1.33 0.20 -0.71 -4.99 118.68 111.31 3kt3 s LEU 371 Ca -0.02 -0.41 -0.16 0.00 0.69 0.00 0.00 54.13 54.23 3kt3 s LEU 371 Cb 0.12 -1.81 -0.08 0.00 -0.43 0.00 0.00 46.19 43.99 3kt3 s LEU 371 CO 0.58 -0.05 0.95 -0.76 -0.29 0.00 0.00 176.35 176.78 3kt3 s LEU 372 N 1.51 3.69 0.24 -0.68 1.43 -1.26 -4.55 118.68 119.06 3kt3 s LEU 372 Ca 0.05 1.53 -0.06 0.00 -1.03 0.00 0.00 54.13 54.62 3kt3 s LEU 372 Cb -0.15 -4.45 0.44 0.00 0.03 0.00 0.00 46.19 42.06 3kt3 s LEU 372 CO -0.01 -0.54 1.67 -1.28 0.23 0.00 0.00 176.35 176.43 3kt3 h SER 373 N 1.08 -0.09 0.26 2.29 0.87 -1.96 0.19 113.55 116.19 3kt3 h SER 373 Ca -0.47 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.16 3kt3 h SER 373 Cb 1.18 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 3kt3 h SER 373 CO 0.62 -0.08 -0.35 1.23 -0.53 0.00 0.00 176.83 177.72 3kt3 h GLY 374 N 0.22 0.15 1.59 5.77 0.00 -1.93 -1.48 103.07 107.40 3kt3 h GLY 374 Ca 0.41 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.42 3kt3 h GLY 374 CO -0.54 0.12 -0.75 0.83 0.00 0.00 0.00 176.54 176.20 3kt3 h GLU 375 N 0.12 0.39 -0.18 4.80 5.08 -1.44 -1.68 114.58 121.68 3kt3 h GLU 375 Ca 0.01 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3kt3 h GLU 375 Cb 0.69 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3kt3 h GLU 375 CO 0.05 0.97 0.08 1.98 -1.00 0.00 0.00 179.01 181.10 3kt3 h MET 376 N 0.27 0.26 -0.46 2.33 4.05 -0.79 -2.49 114.93 118.09 3kt3 h MET 376 Ca -0.03 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3kt3 h MET 376 Cb 1.32 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 3kt3 h MET 376 CO 0.13 0.30 0.28 0.87 0.23 0.00 0.00 176.91 178.72 3kt3 h LYS 377 N 0.15 0.62 -0.39 0.39 1.57 -1.17 -1.03 116.57 116.72 3kt3 h LYS 377 Ca 0.06 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 3kt3 h LYS 377 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3kt3 h LYS 377 CO -0.01 0.43 -0.28 0.87 -0.57 0.00 0.00 179.45 179.89 3kt3 h LYS 378 N 0.63 0.82 -0.70 3.15 1.57 -1.19 0.15 116.57 121.00 3kt3 h LYS 378 Ca 0.17 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 3kt3 h LYS 378 Cb -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3kt3 h LYS 378 CO -0.03 1.00 0.14 -0.07 -0.57 0.00 0.00 179.45 179.92 3kt3 h LEU 379 N 0.70 1.08 0.23 2.94 3.38 -0.93 -2.01 115.31 120.70 3kt3 h LEU 379 Ca 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3kt3 h LEU 379 Cb 0.82 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3kt3 h LEU 379 CO 0.07 1.05 -0.11 0.00 0.09 0.00 0.00 178.44 179.54 3kt3 h ILE 381 N -0.44 0.77 -0.50 0.00 2.04 -0.91 -1.05 117.51 117.41 3kt3 h ILE 381 Ca -0.03 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3kt3 h ILE 381 Cb 0.34 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3kt3 h ILE 381 CO 0.05 0.05 0.28 -0.08 0.00 0.00 0.00 178.15 178.45 3kt3 h GLU 382 N 0.27 0.53 -0.01 2.37 4.81 -1.35 0.39 114.58 121.59 3kt3 h GLU 382 Ca 0.24 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3kt3 h GLU 382 Cb 0.30 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3kt3 h GLU 382 CO -0.29 0.35 -0.00 1.15 -0.73 0.00 0.00 179.01 179.49 3kt3 h THR 383 N 0.55 1.32 -0.28 0.32 2.02 -1.12 -2.03 112.91 113.68 3kt3 h THR 383 Ca 0.21 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3kt3 h THR 383 Cb 0.07 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3kt3 h THR 383 CO -0.12 0.25 0.19 -0.07 0.37 0.00 0.00 175.52 176.14 3kt3 h LEU 384 N -0.39 0.32 -0.69 2.58 3.38 -1.12 -1.74 115.31 117.66 3kt3 h LEU 384 Ca 0.00 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3kt3 h LEU 384 Cb 0.41 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 3kt3 h LEU 384 CO 0.00 0.23 0.30 1.56 0.09 0.00 0.00 178.44 180.62 3kt3 h GLN 385 N 0.38 0.48 -0.55 1.13 4.20 -0.94 0.12 115.11 119.93 3kt3 h GLN 385 Ca 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3kt3 h GLN 385 Cb -0.04 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3kt3 h GLN 385 CO -0.02 0.32 0.30 1.49 -0.67 0.00 0.00 178.83 180.24 3kt3 h GLU 386 N 0.50 0.77 0.24 1.46 4.81 -1.00 -0.80 114.58 120.56 3kt3 h GLU 386 Ca 0.35 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3kt3 h GLU 386 Cb 0.44 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3kt3 h GLU 386 CO -0.32 0.60 -0.11 0.35 -0.73 0.00 0.00 179.01 178.80 3kt3 h PHE 387 N 0.74 -0.29 -0.86 0.92 3.57 -0.58 -2.46 116.94 117.98 3kt3 h PHE 387 Ca 0.19 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3kt3 h PHE 387 Cb 0.05 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 3kt3 h PHE 387 CO -0.01 -0.02 0.50 0.28 -2.23 0.00 0.00 178.31 176.83 3kt3 h VAL 388 N -0.55 1.24 0.13 1.41 2.07 -0.74 0.33 116.25 120.14 3kt3 h VAL 388 Ca -0.03 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3kt3 h VAL 388 Cb 0.40 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3kt3 h VAL 388 CO 0.05 0.26 -0.06 0.50 0.02 0.00 0.00 177.57 178.34 3kt3 h LYS 389 N 1.19 -0.16 -0.70 1.57 3.64 -1.17 -0.54 116.57 120.39 3kt3 h LYS 389 Ca 0.31 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3kt3 h LYS 389 Cb -0.03 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3kt3 h LYS 389 CO -0.06 -0.03 0.42 0.00 -2.27 0.00 0.00 179.45 177.52 3kt3 h ALA 390 N 0.60 1.43 0.19 5.00 0.00 -1.12 -2.30 119.26 123.06 3kt3 h ALA 390 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kt3 h ALA 390 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kt3 h ALA 390 CO 0.03 0.50 -0.09 0.35 0.00 0.00 0.00 179.25 180.03 3kt3 h PHE 391 N 0.96 -0.24 -0.66 0.00 3.57 -0.71 -2.58 116.94 117.28 3kt3 h PHE 391 Ca 0.25 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.80 3kt3 h PHE 391 Cb -0.04 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3kt3 h PHE 391 CO 0.00 -0.06 0.43 1.96 -2.23 0.00 0.00 178.31 178.42 3kt3 h GLN 392 N -0.38 0.69 -0.44 1.11 4.20 -0.86 -0.37 115.11 119.06 3kt3 h GLN 392 Ca -0.03 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3kt3 h GLN 392 Cb 0.29 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3kt3 h GLN 392 CO 0.04 0.46 0.06 0.93 -0.67 0.00 0.00 178.83 179.65 3kt3 h GLU 393 N 0.71 0.74 -0.26 1.46 5.08 -1.33 -1.77 114.58 119.21 3kt3 h GLU 393 Ca 0.27 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 3kt3 h GLU 393 Cb 0.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kt3 h GLU 393 CO -0.08 0.77 -0.30 0.00 -1.00 0.00 0.00 179.01 178.40 3kt3 h ARG 394 N 0.60 0.54 -0.56 2.33 3.08 -0.96 -3.06 114.38 116.36 3kt3 h ARG 394 Ca 0.13 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3kt3 h ARG 394 Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3kt3 h ARG 394 CO 0.01 0.79 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.60 3kt3 h ARG 395 N 0.47 0.97 0.00 0.04 2.43 -0.93 -2.68 114.38 114.67 3kt3 h ARG 395 Ca 0.06 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3kt3 h ARG 395 Cb 0.76 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3kt3 h ARG 395 CO 0.06 0.96 -0.02 0.00 -1.51 0.00 0.00 179.97 179.46 3kt3 h ALA 396 N 1.09 1.06 -0.00 2.80 0.00 -1.22 -1.50 119.26 121.49 3kt3 h ALA 396 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kt3 h ALA 396 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kt3 h ALA 396 CO 0.03 0.02 -0.01 1.04 0.00 0.00 0.00 179.25 180.33 3kt3 n GLN 397 N -3.20 0.99 -3.43 0.00 1.13 -1.01 -4.74 117.38 107.13 3kt3 n GLN 397 Ca -0.02 -0.13 -0.44 0.00 -1.94 0.00 0.00 57.00 54.47 3kt3 n GLN 397 Cb 0.16 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 28.95 3kt3 n GLN 397 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kt3 s VAL 398 N -2.10 4.75 0.35 5.09 1.01 -0.57 -4.96 120.40 123.98 3kt3 s VAL 398 Ca 0.43 -1.60 0.05 0.00 0.00 0.00 0.00 61.98 60.87 3kt3 s VAL 398 Cb 0.22 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.59 3kt3 s VAL 398 CO 0.38 -0.80 0.44 -0.90 0.00 0.00 0.00 175.10 174.23 3kt3 n ASP 399 N 5.09 1.43 0.12 3.32 5.68 -1.26 -4.93 116.55 125.99 3kt3 n ASP 399 Ca -0.11 -1.98 0.08 0.00 -0.50 0.00 0.00 54.79 52.28 3kt3 n ASP 399 Cb 0.41 -0.22 0.56 0.00 -1.14 0.00 0.00 41.12 40.73 3kt3 n ASP 399 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3kt3 h GLU 400 N 0.00 0.21 -0.43 0.11 4.39 -1.99 -1.73 114.58 115.13 3kt3 h GLU 400 Ca -0.17 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 3kt3 h GLU 400 Cb 0.76 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 3kt3 h GLU 400 CO 0.25 0.14 -0.16 1.49 -1.16 0.00 0.00 179.01 179.57 3kt3 h GLU 401 N 0.21 0.82 -0.22 2.33 4.81 -2.00 -1.93 114.58 118.61 3kt3 h GLU 401 Ca 0.10 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 3kt3 h GLU 401 Cb 0.14 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3kt3 h GLU 401 CO -0.02 0.93 -0.20 1.15 -0.73 0.00 0.00 179.01 180.14 3kt3 h THR 402 N 0.73 1.32 -0.69 0.32 2.02 -1.72 -2.95 112.91 111.95 3kt3 h THR 402 Ca 0.11 -1.35 0.10 0.00 0.77 0.00 0.00 66.41 66.03 3kt3 h THR 402 Cb 0.67 1.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.71 3kt3 h THR 402 CO 0.05 0.42 0.32 -0.07 0.37 0.00 0.00 175.52 176.61 3kt3 h LEU 403 N 0.22 0.39 -1.33 2.58 3.38 -1.28 -2.21 115.31 117.06 3kt3 h LEU 403 Ca 0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kt3 h LEU 403 Cb 0.75 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3kt3 h LEU 403 CO 0.05 0.22 0.31 0.44 0.09 0.00 0.00 178.44 179.55 3kt3 h ASP 404 N 0.54 0.68 -0.01 -0.43 5.19 -1.29 0.90 116.42 122.00 3kt3 h ASP 404 Ca 0.34 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3kt3 h ASP 404 Cb 0.39 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 3kt3 h ASP 404 CO -0.29 0.55 0.00 0.11 -3.12 0.00 0.00 179.24 176.49 3kt3 h LYS 405 N 0.77 0.03 0.07 3.56 1.57 -1.22 -1.41 116.57 119.95 3kt3 h LYS 405 Ca 0.20 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.61 3kt3 h LYS 405 Cb 0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3kt3 h LYS 405 CO -0.03 0.03 -2.09 1.19 -0.57 0.00 0.00 179.45 177.98 3kt3 n PHE 406 N -4.52 0.88 0.01 -1.35 3.72 -0.68 -4.69 117.46 110.82 3kt3 n PHE 406 Ca -0.03 0.20 0.11 0.00 -0.05 0.00 0.00 57.45 57.69 3kt3 n PHE 406 Cb 0.10 -1.12 -0.17 0.00 -0.94 0.00 0.00 39.48 37.35 3kt3 n PHE 406 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3kt3 n MET 407 N -3.34 0.64 -2.61 -1.08 2.81 0.23 -1.79 117.12 111.97 3kt3 n MET 407 Ca -0.33 -0.19 -0.43 0.00 -1.81 0.00 0.00 57.70 54.94 3kt3 n MET 407 Cb 1.04 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 32.02 3kt3 n MET 407 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kt3 s VAL 408 N -3.49 4.60 0.10 2.03 1.01 -0.54 -4.83 120.40 119.28 3kt3 s VAL 408 Ca -0.08 1.90 -0.36 0.00 0.00 0.00 0.00 61.98 63.45 3kt3 s VAL 408 Cb 0.14 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 32.12 3kt3 s VAL 408 CO 0.89 -0.08 1.30 -2.65 0.00 0.00 0.00 175.10 174.57 3kt3 n PRO 409 N 5.71 1.11 -3.74 2.72 -0.02 -1.26 -4.89 135.00 134.62 3kt3 n PRO 409 Ca 0.11 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 3kt3 n PRO 409 Cb 0.47 -2.01 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 3kt3 n PRO 409 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3kt3 s HIS 410 N 0.36 -0.11 -0.13 6.00 -3.43 -1.26 -5.06 115.29 111.66 3kt3 s HIS 410 Ca 0.83 -0.05 -0.29 0.00 -0.80 0.00 0.00 55.06 54.74 3kt3 s HIS 410 Cb -0.95 0.11 -0.02 0.00 -1.43 0.00 0.00 32.58 30.29 3kt3 s HIS 410 CO 0.48 -0.53 1.30 0.21 -2.00 0.00 0.00 174.74 174.19 3kt3 s LYS 411 N -2.75 4.25 0.41 -0.38 2.47 -1.22 -4.31 119.74 118.20 3kt3 s LYS 411 Ca -0.04 1.73 -0.22 0.00 -1.56 0.00 0.00 55.97 55.87 3kt3 s LYS 411 Cb -0.00 -3.74 -0.10 0.00 -1.46 0.00 0.00 37.83 32.52 3kt3 s LYS 411 CO -0.05 -0.67 0.97 -0.51 0.16 0.00 0.00 175.35 175.25 3kt3 s LEU 412 N 3.30 4.05 -0.08 5.43 1.43 -0.17 -4.98 118.68 127.67 3kt3 s LEU 412 Ca 0.57 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 55.50 3kt3 s LEU 412 Cb -0.24 -4.37 0.01 0.00 0.03 0.00 0.00 46.19 41.62 3kt3 s LEU 412 CO 0.18 -0.36 -0.17 -0.69 0.23 0.00 0.00 176.35 175.53 3kt3 s VAL 413 N -1.95 1.51 0.37 -1.59 1.01 -0.64 -4.94 120.40 114.17 3kt3 s VAL 413 Ca 0.59 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 3kt3 s VAL 413 Cb -0.14 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.93 3kt3 s VAL 413 CO 0.18 0.44 0.62 -1.66 0.00 0.00 0.00 175.10 174.68 3kt3 s TRP 414 N 0.56 0.67 0.00 5.22 -2.14 -1.26 -4.27 118.94 117.71 3kt3 s TRP 414 Ca -0.16 -1.10 0.00 0.00 2.66 0.00 0.00 56.10 57.50 3kt3 s TRP 414 Cb -0.17 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.53 3kt3 s TRP 414 CO 0.05 -1.35 0.00 0.41 -2.66 0.00 0.00 176.95 173.41 3kt3 n GLY 415 N -0.56 0.45 0.09 3.67 0.00 -1.20 -4.91 105.19 102.72 3kt3 n GLY 415 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 3kt3 n GLY 415 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kt3 n GLU 416 N -2.38 0.63 -1.74 1.61 1.02 -1.26 -4.91 120.64 113.62 3kt3 n GLU 416 Ca 0.00 0.21 -0.38 0.00 -0.02 0.00 0.00 57.16 56.97 3kt3 n GLU 416 Cb 0.07 -1.76 0.05 0.00 -0.02 0.00 0.00 31.44 29.78 3kt3 n GLU 416 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kt3 n LYS 417 N -2.91 1.48 -2.39 3.49 4.01 -1.26 -4.96 118.16 115.61 3kt3 n LYS 417 Ca -0.15 0.55 -0.41 0.00 -0.51 0.00 0.00 58.31 57.80 3kt3 n LYS 417 Cb 0.94 -2.55 -0.04 0.00 -0.51 0.00 0.00 35.03 32.87 3kt3 n LYS 417 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3kt3 s GLU 418 N -3.05 4.52 0.32 1.97 -1.05 -1.26 -5.02 118.70 115.13 3kt3 s GLU 418 Ca 0.76 1.87 -0.18 0.00 -0.15 0.00 0.00 54.97 57.26 3kt3 s GLU 418 Cb -0.40 -3.23 -0.09 0.00 -0.44 0.00 0.00 34.13 29.96 3kt3 s GLU 418 CO 0.46 -0.03 0.80 1.03 0.95 0.00 0.00 175.26 178.47 3kt3 s ARG 419 N -0.49 4.17 0.10 -4.83 0.52 -1.26 -4.99 118.95 112.17 3kt3 s ARG 419 Ca 0.51 0.88 -0.02 0.00 -0.52 0.00 0.00 55.73 56.58 3kt3 s ARG 419 Cb -0.33 -2.52 -0.23 0.00 0.52 0.00 0.00 34.95 32.40 3kt3 s ARG 419 CO 0.38 0.18 1.20 -0.07 0.02 0.00 0.00 175.30 177.01 3kt3 h LEU 420 N 2.54 0.34 -8.04 2.53 4.07 -1.96 -3.44 115.31 111.34 3kt3 h LEU 420 Ca -0.48 -0.35 -0.53 0.00 0.08 0.00 0.00 57.88 56.60 3kt3 h LEU 420 Cb 1.18 -0.11 -0.33 0.00 1.08 0.00 0.00 40.66 42.48 3kt3 h LEU 420 CO 0.64 1.25 -0.82 0.54 -1.08 0.00 0.00 178.44 178.97 3kt3 s VAL 421 N -2.77 1.24 0.37 1.22 0.11 -1.26 -4.97 120.40 114.34 3kt3 s VAL 421 Ca -0.03 -0.55 -0.26 0.00 -2.93 0.00 0.00 61.98 58.21 3kt3 s VAL 421 Cb 0.08 -1.12 -0.09 0.00 -1.53 0.00 0.00 36.38 33.72 3kt3 s VAL 421 CO 0.87 0.38 1.14 0.00 -3.33 0.00 0.00 175.10 174.15 3kt3 s ALA 422 N 0.55 3.23 0.54 1.54 0.00 -1.26 -5.00 121.76 121.36 3kt3 s ALA 422 Ca -0.14 0.93 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 3kt3 s ALA 422 Cb -0.15 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3kt3 s ALA 422 CO 0.04 -0.40 1.37 -1.25 0.00 0.00 0.00 175.76 175.52 3kt3 s PRO 423 N -2.09 3.14 -0.50 0.00 0.04 -1.26 -4.99 135.00 129.34 3kt3 s PRO 423 Ca 0.54 2.26 0.03 0.00 0.04 0.00 0.00 61.00 63.87 3kt3 s PRO 423 Cb -0.30 -2.27 0.13 0.00 0.04 0.00 0.00 34.50 32.10 3kt3 s PRO 423 CO 0.38 -1.20 0.24 0.15 0.04 0.00 0.00 177.00 176.62 3kt3 s LYS 424 N -2.90 1.96 0.00 4.56 1.02 0.07 -4.95 119.74 119.50 3kt3 s LYS 424 Ca 0.71 -2.48 0.29 0.00 0.02 0.00 0.00 55.97 54.51 3kt3 s LYS 424 Cb -0.41 -3.35 1.25 0.00 -0.52 0.00 0.00 37.83 34.80 3kt3 s LYS 424 CO 0.49 -1.09 1.86 -0.35 -0.92 0.00 0.00 175.35 175.34