#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf7 s PRO 6 N 0.00 0.09 -0.09 -0.14 0.04 -1.26 -5.02 135.00 128.61 3kf7 s PRO 6 Ca 0.00 0.17 -0.21 0.00 0.04 0.00 0.00 61.00 61.00 3kf7 s PRO 6 Cb 0.00 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 3kf7 s PRO 6 CO 0.00 -2.88 0.58 0.99 0.04 0.00 0.00 177.00 175.72 3kf7 s THR 7 N -3.16 5.13 0.02 1.26 2.01 -1.26 -4.99 115.64 114.65 3kf7 s THR 7 Ca 0.68 1.18 -0.03 0.00 0.31 0.00 0.00 61.69 63.82 3kf7 s THR 7 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3kf7 s THR 7 CO 0.55 0.29 0.22 -0.36 -0.69 0.00 0.00 174.62 174.64 3kf7 s PHE 8 N 0.70 3.55 0.22 4.92 0.40 -1.26 -0.91 117.98 125.61 3kf7 s PHE 8 Ca 0.31 0.41 0.06 0.00 -0.60 0.00 0.00 56.93 57.11 3kf7 s PHE 8 Cb -0.16 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 3kf7 s PHE 8 CO 0.14 0.61 -0.08 1.52 0.70 0.00 0.00 175.22 178.11 3kf7 s TYR 9 N -1.38 1.68 0.03 0.36 1.13 -0.40 -4.90 117.35 113.86 3kf7 s TYR 9 Ca 0.30 -0.72 0.07 0.00 -1.41 0.00 0.00 57.07 55.31 3kf7 s TYR 9 Cb -0.13 -0.89 -0.02 0.00 -1.10 0.00 0.00 41.96 39.82 3kf7 s TYR 9 CO 0.20 0.20 -0.19 0.50 -2.51 0.00 0.00 175.55 173.76 3kf7 s ARG 10 N -3.73 1.34 0.12 -3.49 3.52 -1.26 -2.15 118.95 113.30 3kf7 s ARG 10 Ca 0.25 -0.85 -0.20 0.00 -0.13 0.00 0.00 55.73 54.80 3kf7 s ARG 10 Cb 0.03 -1.40 0.05 0.00 -1.56 0.00 0.00 34.95 32.06 3kf7 s ARG 10 CO 0.08 0.36 0.51 1.14 -0.81 0.00 0.00 175.30 176.58 3kf7 s GLN 11 N -1.01 1.15 -0.09 5.12 -2.07 -0.65 -5.01 119.66 117.11 3kf7 s GLN 11 Ca 0.06 -0.51 -0.11 0.00 -1.82 0.00 0.00 55.36 52.99 3kf7 s GLN 11 Cb -0.08 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.31 3kf7 s GLN 11 CO 0.01 -0.47 0.27 -2.00 -1.32 0.00 0.00 175.29 171.78 3kf7 s GLU 12 N -3.48 3.79 -0.21 9.60 -6.30 -1.26 -0.56 118.70 120.27 3kf7 s GLU 12 Ca 0.00 0.11 -0.04 0.00 -2.50 0.00 0.00 54.97 52.54 3kf7 s GLU 12 Cb 0.00 -3.25 0.09 0.00 0.00 0.00 0.00 34.13 30.97 3kf7 s GLU 12 CO -0.10 0.63 0.19 -0.51 0.02 0.00 0.00 175.26 175.49 3kf7 s LEU 13 N -0.73 0.05 -1.20 2.70 1.43 0.26 -4.94 118.68 116.26 3kf7 s LEU 13 Ca 0.18 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3kf7 s LEU 13 Cb -0.14 0.17 -0.02 0.00 0.03 0.00 0.00 46.19 46.24 3kf7 s LEU 13 CO 0.07 -0.35 0.83 0.59 0.23 0.00 0.00 176.35 177.73 3kf7 n ASN 14 N 5.30 -3.21 0.00 2.29 3.02 -1.26 -1.75 115.26 119.66 3kf7 n ASN 14 Ca -0.06 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 3kf7 n ASN 14 Cb 0.48 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.17 3kf7 n ASN 14 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kf7 n LYS 15 N -3.99 0.00 -4.51 3.52 3.00 -1.26 -4.98 118.16 109.95 3kf7 n LYS 15 Ca -0.22 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.75 3kf7 n LYS 15 Cb 0.65 -2.80 -0.11 0.00 0.00 0.00 0.00 35.03 32.77 3kf7 n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3kf7 s THR 16 N -2.39 3.83 0.08 3.15 2.01 -0.71 -5.10 115.64 116.50 3kf7 s THR 16 Ca 0.00 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 61.41 3kf7 s THR 16 Cb 0.00 -2.62 -0.07 0.00 0.01 0.00 0.00 72.50 69.82 3kf7 s THR 16 CO 0.00 0.55 0.56 -0.63 -0.69 0.00 0.00 174.62 174.42 3kf7 s ILE 17 N -0.30 4.77 -0.08 1.82 1.01 -1.26 0.92 121.20 128.07 3kf7 s ILE 17 Ca 0.05 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.85 3kf7 s ILE 17 Cb -0.13 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.50 3kf7 s ILE 17 CO 0.02 0.50 -0.10 0.26 0.00 0.00 0.00 174.94 175.63 3kf7 s TRP 18 N -1.17 1.41 -0.35 3.97 0.52 0.28 -4.94 118.94 118.66 3kf7 s TRP 18 Ca 0.30 -0.59 0.03 0.00 0.02 0.00 0.00 56.10 55.86 3kf7 s TRP 18 Cb -0.19 -1.10 0.10 0.00 -1.15 0.00 0.00 33.47 31.14 3kf7 s TRP 18 CO 0.19 -0.36 0.08 -1.21 0.02 0.00 0.00 176.95 175.67 3kf7 s GLU 19 N 1.09 1.32 0.17 4.98 2.02 -1.26 -1.63 118.70 125.39 3kf7 s GLU 19 Ca -0.07 -1.74 0.06 0.00 0.02 0.00 0.00 54.97 53.25 3kf7 s GLU 19 Cb -0.14 -2.89 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 3kf7 s GLU 19 CO -0.01 -0.97 -0.12 0.14 0.02 0.00 0.00 175.26 174.32 3kf7 s VAL 20 N 0.98 1.44 0.52 2.63 -7.23 -0.91 -4.61 120.40 113.22 3kf7 s VAL 20 Ca 0.11 -2.13 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 3kf7 s VAL 20 Cb -0.19 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 3kf7 s VAL 20 CO -0.11 -0.68 1.33 -2.84 -0.31 0.00 0.00 175.10 172.49 3kf7 s PRO 21 N -3.70 3.30 0.57 4.82 0.02 -1.26 -1.28 135.00 137.48 3kf7 s PRO 21 Ca 0.19 2.16 0.27 0.00 0.02 0.00 0.00 61.00 63.65 3kf7 s PRO 21 Cb 0.01 -2.32 1.64 0.00 0.02 0.00 0.00 34.50 33.85 3kf7 s PRO 21 CO 0.04 -1.04 2.15 1.05 -0.33 0.00 0.00 177.00 178.87 3kf7 h GLU 22 N 1.64 0.00 0.00 5.54 -0.00 -1.37 -2.04 114.58 118.35 3kf7 h GLU 22 Ca -0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.85 3kf7 h GLU 22 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.04 3kf7 h GLU 22 CO 0.58 0.00 -0.00 0.07 -0.00 0.00 0.00 179.01 179.66 3kf7 h ARG 23 N 0.00 0.00 -5.32 1.06 0.11 -1.91 -3.38 114.38 104.94 3kf7 h ARG 23 Ca 0.06 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.50 3kf7 h ARG 23 Cb 0.29 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.23 3kf7 h ARG 23 CO -0.00 0.00 -0.00 0.71 0.10 0.00 0.00 179.97 180.78 3kf7 s TYR 24 N -4.52 3.20 0.33 4.08 1.51 -0.77 -0.76 117.35 120.42 3kf7 s TYR 24 Ca -0.05 0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.45 3kf7 s TYR 24 Cb 0.15 -2.91 -0.06 0.00 -0.11 0.00 0.00 41.96 39.03 3kf7 s TYR 24 CO 0.52 -0.48 -0.08 -0.65 -1.11 0.00 0.00 175.55 173.75 3kf7 s GLN 25 N 2.43 1.74 -1.28 -0.62 -1.52 -0.01 -4.86 119.66 115.56 3kf7 s GLN 25 Ca 0.21 -1.90 -0.01 0.00 -1.95 0.00 0.00 55.36 51.70 3kf7 s GLN 25 Cb -0.15 -1.52 0.01 0.00 -0.22 0.00 0.00 33.01 31.12 3kf7 s GLN 25 CO 0.12 0.09 0.88 0.09 -0.25 0.00 0.00 175.29 176.23 3kf7 n ASN 26 N -0.74 -2.14 -4.71 5.90 3.02 -1.26 -0.20 115.26 115.13 3kf7 n ASN 26 Ca -0.05 -0.71 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 3kf7 n ASN 26 Cb 0.64 -4.60 -0.03 0.00 -0.61 0.00 0.00 39.78 35.18 3kf7 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kf7 s LEU 27 N -6.62 4.37 -0.07 3.41 1.02 -1.26 -4.46 118.68 115.07 3kf7 s LEU 27 Ca 0.08 2.37 0.01 0.00 0.02 0.00 0.00 54.13 56.61 3kf7 s LEU 27 Cb -0.04 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.61 3kf7 s LEU 27 CO 0.77 -0.70 -0.06 -0.55 0.02 0.00 0.00 176.35 175.83 3kf7 s SER 28 N 1.24 1.54 0.27 2.29 0.15 -0.38 -4.96 113.70 113.85 3kf7 s SER 28 Ca 0.66 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.81 3kf7 s SER 28 Cb -0.38 -0.62 -0.11 0.00 -1.71 0.00 0.00 66.02 63.20 3kf7 s SER 28 CO 0.30 -0.08 1.59 -2.84 1.20 0.00 0.00 173.24 173.42 3kf7 s PRO 29 N 1.25 4.14 -0.00 5.44 0.02 -1.26 -1.27 135.00 143.32 3kf7 s PRO 29 Ca -0.05 2.54 0.05 0.00 0.02 0.00 0.00 61.00 63.56 3kf7 s PRO 29 Cb -0.14 -3.05 -0.07 0.00 0.02 0.00 0.00 34.50 31.26 3kf7 s PRO 29 CO -0.02 -0.62 0.15 1.33 -0.33 0.00 0.00 177.00 177.50 3kf7 n VAL 30 N 2.58 0.00 0.00 3.83 0.24 -0.27 -4.86 118.33 119.85 3kf7 n VAL 30 Ca 0.10 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3kf7 n VAL 30 Cb 0.37 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 3kf7 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kf7 n GLY 31 N 1.80 0.88 3.39 7.63 0.00 -1.20 -5.02 105.19 112.68 3kf7 n GLY 31 Ca -0.00 -0.91 -0.45 0.00 0.00 0.00 0.00 46.02 44.66 3kf7 n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kf7 s SER 32 N 0.00 6.47 -0.83 1.61 0.01 -1.26 -2.19 113.70 117.51 3kf7 s SER 32 Ca 0.00 -1.92 0.02 0.00 1.31 0.00 0.00 55.95 55.35 3kf7 s SER 32 Cb 0.00 -2.31 0.30 0.00 0.21 0.00 0.00 66.02 64.22 3kf7 s SER 32 CO 0.00 -0.98 1.25 0.61 0.41 0.00 0.00 173.24 174.53 3kf7 n GLY 33 N 5.03 5.43 1.42 3.44 0.00 -0.54 -4.97 105.19 114.99 3kf7 n GLY 33 Ca 0.07 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.38 3kf7 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kf7 n ALA 34 N 0.47 -2.39 -3.74 4.61 0.00 -1.26 -4.47 120.51 113.73 3kf7 n ALA 34 Ca 0.33 0.30 -0.28 0.00 0.00 0.00 0.00 53.44 53.79 3kf7 n ALA 34 Cb 0.35 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 3kf7 n ALA 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kf7 n TYR 35 N 0.97 -0.86 0.00 0.00 4.02 -1.26 -4.71 117.16 115.32 3kf7 n TYR 35 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 3kf7 n TYR 35 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 39.34 37.75 3kf7 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kf7 n GLY 36 N -1.31 1.39 3.52 2.72 0.00 -1.26 -1.44 105.19 108.80 3kf7 n GLY 36 Ca -0.02 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 3kf7 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kf7 s SER 37 N 0.00 3.93 -0.04 1.61 0.01 -0.95 -1.47 113.70 116.78 3kf7 s SER 37 Ca 0.00 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.55 3kf7 s SER 37 Cb 0.00 -0.53 0.01 0.00 0.21 0.00 0.00 66.02 65.71 3kf7 s SER 37 CO 0.00 0.10 -0.07 -0.69 0.41 0.00 0.00 173.24 172.98 3kf7 s VAL 38 N -1.82 0.69 0.09 3.43 1.01 -0.93 -0.84 120.40 122.03 3kf7 s VAL 38 Ca 0.24 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.07 3kf7 s VAL 38 Cb -0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3kf7 s VAL 38 CO 0.14 0.24 -0.26 0.00 0.00 0.00 0.00 175.10 175.22 3kf7 s ALA 40 N -0.95 3.46 0.23 0.00 0.00 -0.39 -0.43 121.76 123.67 3kf7 s ALA 40 Ca 0.13 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.32 3kf7 s ALA 40 Cb -0.10 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3kf7 s ALA 40 CO 0.04 0.23 0.15 0.00 0.00 0.00 0.00 175.76 176.19 3kf7 s ALA 41 N -0.67 1.35 -0.18 0.00 0.00 0.55 -1.25 121.76 121.56 3kf7 s ALA 41 Ca 0.34 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 3kf7 s ALA 41 Cb -0.21 1.37 -0.01 0.00 0.00 0.00 0.00 23.12 24.27 3kf7 s ALA 41 CO 0.22 -0.59 -0.07 0.12 0.00 0.00 0.00 175.76 175.45 3kf7 s PHE 42 N -4.00 2.93 -0.55 0.00 5.36 0.72 -1.13 117.98 121.32 3kf7 s PHE 42 Ca 0.39 -0.70 -0.19 0.00 -0.96 0.00 0.00 56.93 55.47 3kf7 s PHE 42 Cb 0.06 -1.99 0.08 0.00 -0.34 0.00 0.00 43.02 40.83 3kf7 s PHE 42 CO 0.15 -0.33 0.68 0.34 -1.46 0.00 0.00 175.22 174.61 3kf7 s ASP 43 N 0.88 6.21 0.52 6.13 -1.08 -0.46 -0.83 116.67 128.04 3kf7 s ASP 43 Ca -0.02 -1.11 0.21 0.00 -0.52 0.00 0.00 52.55 51.11 3kf7 s ASP 43 Cb -0.15 -2.31 1.37 0.00 -1.46 0.00 0.00 42.92 40.37 3kf7 s ASP 43 CO 0.01 -1.02 2.12 0.71 0.52 0.00 0.00 175.17 177.51 3kf7 h THR 44 N 5.90 0.85 -0.22 1.71 1.35 -1.25 0.20 112.91 121.45 3kf7 h THR 44 Ca -0.28 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 3kf7 h THR 44 Cb 1.09 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3kf7 h THR 44 CO 1.04 0.07 0.08 0.50 -0.25 0.00 0.00 175.52 176.95 3kf7 h LYS 45 N 0.00 0.33 0.00 4.72 3.64 -1.92 -3.31 116.57 120.03 3kf7 h LYS 45 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3kf7 h LYS 45 Cb 0.14 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3kf7 h LYS 45 CO 0.01 0.40 -1.94 0.25 -2.27 0.00 0.00 179.45 175.90 3kf7 n THR 46 N -4.80 0.03 -1.01 1.00 -2.24 -1.08 -4.99 114.28 101.19 3kf7 n THR 46 Ca -0.04 -0.50 -0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3kf7 n THR 46 Cb 0.14 -0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3kf7 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kf7 n GLY 47 N 1.26 0.45 3.73 3.38 0.00 0.67 -5.04 105.19 109.64 3kf7 n GLY 47 Ca -0.04 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3kf7 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kf7 s LEU 48 N -0.11 3.59 0.22 0.99 1.43 -1.21 -4.90 118.68 118.68 3kf7 s LEU 48 Ca 0.00 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 3kf7 s LEU 48 Cb 0.00 -2.25 -0.08 0.00 0.03 0.00 0.00 46.19 43.89 3kf7 s LEU 48 CO 0.00 0.11 1.00 -0.13 0.23 0.00 0.00 176.35 177.56 3kf7 s ARG 49 N -2.78 4.75 0.17 1.70 0.52 -1.26 -1.36 118.95 120.70 3kf7 s ARG 49 Ca 0.29 1.57 0.07 0.00 -0.52 0.00 0.00 55.73 57.14 3kf7 s ARG 49 Cb -0.10 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3kf7 s ARG 49 CO 0.21 0.35 -0.14 0.14 0.02 0.00 0.00 175.30 175.88 3kf7 s VAL 50 N -0.84 1.55 -0.18 3.52 -7.23 -0.28 -1.70 120.40 115.23 3kf7 s VAL 50 Ca 0.44 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 3kf7 s VAL 50 Cb -0.27 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 3kf7 s VAL 50 CO 0.34 -0.58 0.01 0.00 -0.31 0.00 0.00 175.10 174.55 3kf7 s ALA 51 N -2.84 3.14 -0.19 1.32 0.00 0.50 -0.33 121.76 123.36 3kf7 s ALA 51 Ca 0.18 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3kf7 s ALA 51 Cb -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3kf7 s ALA 51 CO 0.05 0.10 -0.13 0.08 0.00 0.00 0.00 175.76 175.86 3kf7 s VAL 52 N 0.54 2.72 -0.19 0.00 1.01 0.43 -1.68 120.40 123.23 3kf7 s VAL 52 Ca -0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3kf7 s VAL 52 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3kf7 s VAL 52 CO 0.02 0.49 -0.01 -0.75 0.00 0.00 0.00 175.10 174.85 3kf7 s LYS 53 N 1.24 3.64 -0.29 2.72 2.20 -0.22 -0.71 119.74 128.32 3kf7 s LYS 53 Ca 0.03 -0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 54.99 3kf7 s LYS 53 Cb -0.14 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3kf7 s LYS 53 CO -0.06 0.06 0.30 0.21 -0.36 0.00 0.00 175.35 175.51 3kf7 s LYS 54 N 0.86 3.91 0.43 4.03 2.20 -0.02 -1.26 119.74 129.89 3kf7 s LYS 54 Ca 0.01 -0.17 -0.25 0.00 -0.36 0.00 0.00 55.97 55.20 3kf7 s LYS 54 Cb -0.14 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.41 3kf7 s LYS 54 CO 0.02 -0.28 1.26 -0.51 -0.36 0.00 0.00 175.35 175.48 3kf7 s LEU 55 N 1.95 4.14 -0.21 5.43 1.43 -0.76 -2.25 118.68 128.41 3kf7 s LEU 55 Ca 0.12 2.56 -0.19 0.00 -1.03 0.00 0.00 54.13 55.59 3kf7 s LEU 55 Cb -0.16 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 3kf7 s LEU 55 CO 0.11 -0.91 0.53 -0.44 0.23 0.00 0.00 176.35 175.87 3kf7 s SER 56 N -0.93 6.56 -1.34 2.29 0.01 -0.52 -4.55 113.70 115.22 3kf7 s SER 56 Ca 0.59 0.67 -0.14 0.00 1.31 0.00 0.00 55.95 58.38 3kf7 s SER 56 Cb -0.36 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.59 3kf7 s SER 56 CO 0.45 -0.21 0.45 0.54 0.41 0.00 0.00 173.24 174.88 3kf7 n ARG 57 N 4.96 -1.38 0.18 12.44 5.12 -1.26 -4.81 116.66 131.91 3kf7 n ARG 57 Ca -0.04 0.23 0.15 0.00 -1.93 0.00 0.00 57.85 56.26 3kf7 n ARG 57 Cb 0.50 -3.61 0.76 0.00 -1.16 0.00 0.00 32.46 28.95 3kf7 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3kf7 h PRO 58 N -2.08 0.00 -0.35 5.56 0.13 -1.81 -2.76 132.00 130.69 3kf7 h PRO 58 Ca -0.67 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.20 3kf7 h PRO 58 Cb 1.39 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.31 3kf7 h PRO 58 CO 0.59 0.00 -0.67 1.19 -0.23 0.00 0.00 178.00 178.88 3kf7 n PHE 59 N -4.14 1.29 0.11 1.56 3.01 -1.26 -2.47 117.46 115.56 3kf7 n PHE 59 Ca 0.02 -1.83 0.00 0.00 1.01 0.00 0.00 57.45 56.66 3kf7 n PHE 59 Cb 0.30 -0.29 0.31 0.00 -0.01 0.00 0.00 39.48 39.80 3kf7 n PHE 59 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3kf7 h GLN 60 N 1.57 0.22 -2.96 -1.08 4.15 -1.84 -3.46 115.11 111.71 3kf7 h GLN 60 Ca 0.17 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.54 3kf7 h GLN 60 Cb 1.27 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 3kf7 h GLN 60 CO 0.36 0.48 0.28 -1.54 -1.93 0.00 0.00 178.83 176.47 3kf7 s SER 61 N -6.88 -0.11 0.25 -0.69 1.04 -1.26 -4.99 113.70 101.05 3kf7 s SER 61 Ca -0.05 -0.87 -0.05 0.00 0.48 0.00 0.00 55.95 55.46 3kf7 s SER 61 Cb 0.14 0.77 0.28 0.00 0.10 0.00 0.00 66.02 67.31 3kf7 s SER 61 CO 0.75 -1.49 1.85 0.40 0.98 0.00 0.00 173.24 175.73 3kf7 h ILE 62 N 2.00 1.25 -0.18 -1.02 2.04 -1.93 0.61 117.51 120.27 3kf7 h ILE 62 Ca -0.26 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 3kf7 h ILE 62 Cb 1.25 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3kf7 h ILE 62 CO 0.32 0.29 0.10 0.40 0.00 0.00 0.00 178.15 179.27 3kf7 h ILE 63 N 1.12 1.10 -0.63 -0.67 1.08 -1.97 -0.24 117.51 117.31 3kf7 h ILE 63 Ca 0.27 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 3kf7 h ILE 63 Cb 0.11 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 3kf7 h ILE 63 CO -0.03 0.10 0.14 0.45 -0.69 0.00 0.00 178.15 178.11 3kf7 h HIS 64 N 0.19 1.07 -0.39 1.37 3.86 -1.75 -1.83 115.15 117.67 3kf7 h HIS 64 Ca 0.06 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.08 3kf7 h HIS 64 Cb 0.07 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 3kf7 h HIS 64 CO -0.04 0.90 -0.01 0.00 0.86 0.00 0.00 177.93 179.64 3kf7 h ALA 65 N 1.04 0.52 -0.57 2.45 0.00 -0.56 -0.10 119.26 122.05 3kf7 h ALA 65 Ca 0.19 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kf7 h ALA 65 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kf7 h ALA 65 CO 0.00 0.31 0.09 -0.22 0.00 0.00 0.00 179.25 179.43 3kf7 h LYS 66 N 0.51 0.95 -0.51 0.00 3.64 -1.07 -2.02 116.57 118.07 3kf7 h LYS 66 Ca 0.11 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3kf7 h LYS 66 Cb 0.49 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3kf7 h LYS 66 CO 0.02 0.91 0.30 -0.09 -2.27 0.00 0.00 179.45 178.32 3kf7 h ARG 67 N 0.85 0.58 -0.46 1.90 2.43 -1.04 0.90 114.38 119.54 3kf7 h ARG 67 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kf7 h ARG 67 Cb 0.42 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3kf7 h ARG 67 CO 0.01 0.38 0.30 1.15 -1.51 0.00 0.00 179.97 180.30 3kf7 h THR 68 N 0.60 1.13 -0.10 0.20 2.02 -0.79 0.18 112.91 116.14 3kf7 h THR 68 Ca 0.21 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3kf7 h THR 68 Cb 0.03 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3kf7 h THR 68 CO -0.10 0.12 0.06 0.22 0.37 0.00 0.00 175.52 176.19 3kf7 h TYR 69 N 0.62 0.14 -0.33 3.16 3.20 -1.13 -2.22 116.97 120.40 3kf7 h TYR 69 Ca 0.17 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.09 3kf7 h TYR 69 Cb -0.05 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 3kf7 h TYR 69 CO -0.04 0.16 -0.01 -0.09 -1.64 0.00 0.00 178.16 176.54 3kf7 h ARG 70 N 0.08 0.08 -0.33 1.82 2.43 -0.50 0.59 114.38 118.54 3kf7 h ARG 70 Ca 0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kf7 h ARG 70 Cb 0.06 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3kf7 h ARG 70 CO -0.01 0.05 0.21 1.49 -1.51 0.00 0.00 179.97 180.21 3kf7 h GLU 71 N 0.08 0.45 -0.26 0.20 4.81 -0.89 -0.56 114.58 118.41 3kf7 h GLU 71 Ca 0.16 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3kf7 h GLU 71 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3kf7 h GLU 71 CO -0.28 0.32 0.06 1.25 -0.73 0.00 0.00 179.01 179.63 3kf7 h LEU 72 N 0.44 0.39 -0.28 1.64 5.85 -0.99 0.15 115.31 122.52 3kf7 h LEU 72 Ca 0.12 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3kf7 h LEU 72 Cb -0.03 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3kf7 h LEU 72 CO -0.02 0.52 0.05 0.03 -0.34 0.00 0.00 178.44 178.67 3kf7 h ARG 73 N 0.24 0.14 0.17 1.25 2.47 -0.80 -0.79 114.38 117.07 3kf7 h ARG 73 Ca 0.08 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 3kf7 h ARG 73 Cb 0.28 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3kf7 h ARG 73 CO 0.00 0.10 -0.10 -0.07 0.56 0.00 0.00 179.97 180.46 3kf7 h LEU 74 N 0.15 -0.25 -1.18 3.04 3.38 -0.89 -2.60 115.31 116.96 3kf7 h LEU 74 Ca 0.13 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3kf7 h LEU 74 Cb 0.14 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kf7 h LEU 74 CO -0.17 -0.16 -0.13 -0.07 0.09 0.00 0.00 178.44 177.99 3kf7 h LEU 75 N -0.26 0.40 -1.63 1.67 3.38 -0.59 -1.83 115.31 116.44 3kf7 h LEU 75 Ca -0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3kf7 h LEU 75 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kf7 h LEU 75 CO 0.02 0.56 -0.20 0.11 0.09 0.00 0.00 178.44 179.02 3kf7 h LYS 76 N 0.39 0.00 0.01 1.13 1.57 -1.01 -3.23 116.57 115.42 3kf7 h LYS 76 Ca 0.07 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.57 3kf7 h LYS 76 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3kf7 h LYS 76 CO 0.03 0.20 -1.65 1.25 -0.57 0.00 0.00 179.45 178.71 3kf7 h HIS 77 N 0.00 0.03 -2.94 -1.35 2.76 -0.96 -3.46 115.15 109.23 3kf7 h HIS 77 Ca -0.00 -0.02 -0.57 0.00 -2.20 0.00 0.00 60.37 57.58 3kf7 h HIS 77 Cb 0.44 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 3kf7 h HIS 77 CO 0.00 1.04 1.12 -1.64 -1.30 0.00 0.00 177.93 177.15 3kf7 s MET 78 N -2.61 3.65 -0.53 5.26 -1.94 -0.87 -4.91 119.30 117.35 3kf7 s MET 78 Ca -0.05 1.35 0.04 0.00 -1.71 0.00 0.00 55.69 55.33 3kf7 s MET 78 Cb 0.08 -4.05 0.17 0.00 2.01 0.00 0.00 34.83 33.05 3kf7 s MET 78 CO 0.82 -1.47 0.41 1.63 -0.01 0.00 0.00 175.02 176.40 3kf7 n LYS 79 N 7.90 0.87 -3.67 2.03 5.02 -1.26 -4.27 118.16 124.78 3kf7 n LYS 79 Ca 0.19 -3.71 -0.14 0.00 -2.02 0.00 0.00 58.31 52.63 3kf7 n LYS 79 Cb 0.46 -1.91 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 3kf7 n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3kf7 s HIS 80 N -0.60 -0.58 0.04 2.13 2.46 -1.26 -5.05 115.29 112.42 3kf7 s HIS 80 Ca 0.30 1.34 0.32 0.00 0.47 0.00 0.00 55.06 57.49 3kf7 s HIS 80 Cb 0.01 0.22 1.48 0.00 -0.13 0.00 0.00 32.58 34.16 3kf7 s HIS 80 CO -0.18 -0.34 1.96 1.05 -2.47 0.00 0.00 174.74 174.75 3kf7 h GLU 81 N 4.84 0.00 -0.46 2.88 9.09 -1.98 -2.53 114.58 126.43 3kf7 h GLU 81 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.13 3kf7 h GLU 81 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 3kf7 h GLU 81 CO 0.20 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.35 3kf7 n ASN 82 N -2.77 4.42 -3.89 3.06 4.13 -1.26 -4.71 115.26 114.25 3kf7 n ASN 82 Ca -0.00 -2.67 -0.17 0.00 1.68 0.00 0.00 54.58 53.42 3kf7 n ASN 82 Cb 0.20 -0.54 -0.15 0.00 -1.54 0.00 0.00 39.78 37.75 3kf7 n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3kf7 s VAL 83 N -2.23 0.32 0.26 2.41 1.01 -0.95 -1.23 120.40 119.99 3kf7 s VAL 83 Ca 0.45 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3kf7 s VAL 83 Cb 0.32 -0.34 -0.10 0.00 0.00 0.00 0.00 36.38 36.26 3kf7 s VAL 83 CO 0.16 0.14 1.45 0.27 0.00 0.00 0.00 175.10 177.12 3kf7 s ILE 84 N 0.47 2.58 0.20 2.22 -4.36 -0.92 -4.42 121.20 116.96 3kf7 s ILE 84 Ca -0.05 0.49 0.02 0.00 -0.26 0.00 0.00 60.65 60.86 3kf7 s ILE 84 Cb -0.08 -3.31 -0.01 0.00 1.25 0.00 0.00 42.46 40.30 3kf7 s ILE 84 CO -0.01 0.08 0.08 0.61 0.24 0.00 0.00 174.94 175.94 3kf7 n GLY 85 N 2.07 3.66 3.70 6.27 0.00 -1.26 -4.76 105.19 114.86 3kf7 n GLY 85 Ca 0.06 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 3kf7 n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kf7 s LEU 86 N 0.00 4.18 0.08 0.99 1.43 -1.22 -4.46 118.68 119.68 3kf7 s LEU 86 Ca 0.11 0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 3kf7 s LEU 86 Cb 0.01 -2.29 -0.23 0.00 0.03 0.00 0.00 46.19 43.71 3kf7 s LEU 86 CO 0.08 0.06 1.14 -0.07 0.23 0.00 0.00 176.35 177.79 3kf7 h LEU 87 N 7.11 0.08 -7.00 1.79 3.38 -1.02 -3.44 115.31 116.22 3kf7 h LEU 87 Ca -0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3kf7 h LEU 87 Cb 1.16 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.72 3kf7 h LEU 87 CO 0.72 1.08 0.27 -0.62 0.09 0.00 0.00 178.44 179.98 3kf7 s ASP 88 N -6.69 -0.57 -0.07 -0.43 2.15 -1.13 -4.72 116.67 105.21 3kf7 s ASP 88 Ca -0.01 0.38 -0.05 0.00 0.43 0.00 0.00 52.55 53.30 3kf7 s ASP 88 Cb 0.09 0.52 0.03 0.00 -0.30 0.00 0.00 42.92 43.25 3kf7 s ASP 88 CO 0.83 -0.69 0.18 -0.69 -0.17 0.00 0.00 175.17 174.63 3kf7 s VAL 89 N -2.18 -0.02 0.13 1.11 1.01 -1.26 -0.94 120.40 118.26 3kf7 s VAL 89 Ca -0.05 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 3kf7 s VAL 89 Cb -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.13 3kf7 s VAL 89 CO -0.00 0.03 0.37 0.72 0.00 0.00 0.00 175.10 176.21 3kf7 s PHE 90 N 0.52 -0.05 -0.00 5.22 -0.12 -0.47 -4.98 117.98 118.10 3kf7 s PHE 90 Ca -0.04 -0.30 -0.02 0.00 -0.05 0.00 0.00 56.93 56.53 3kf7 s PHE 90 Cb -0.05 0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.52 3kf7 s PHE 90 CO -0.03 -0.71 0.03 -0.08 -0.05 0.00 0.00 175.22 174.38 3kf7 s THR 91 N -3.85 0.04 -0.13 -4.49 -1.32 -1.26 -0.76 115.64 103.87 3kf7 s THR 91 Ca 0.06 -0.33 0.30 0.00 -1.21 0.00 0.00 61.69 60.50 3kf7 s THR 91 Cb 0.02 -0.16 0.34 0.00 -1.51 0.00 0.00 72.50 71.19 3kf7 s THR 91 CO -0.09 -0.18 1.88 1.55 -2.21 0.00 0.00 174.62 175.56 3kf7 h PRO 92 N 5.49 0.00 -6.55 7.08 0.13 -1.82 -3.45 132.00 132.88 3kf7 h PRO 92 Ca -0.27 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.26 3kf7 h PRO 92 Cb 1.21 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.44 3kf7 h PRO 92 CO 0.46 0.00 0.28 0.00 -0.23 0.00 0.00 178.00 178.51 3kf7 n ALA 93 N -1.97 0.27 0.04 -0.56 0.00 -1.26 -4.90 120.51 112.12 3kf7 n ALA 93 Ca 0.01 0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.90 3kf7 n ALA 93 Cb 0.29 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 3kf7 n ALA 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kf7 n ARG 94 N 0.84 0.63 -4.19 0.00 0.63 -1.26 -5.00 116.66 108.32 3kf7 n ARG 94 Ca 0.09 0.09 -0.15 0.00 -0.92 0.00 0.00 57.85 56.96 3kf7 n ARG 94 Cb 0.33 -1.74 -0.08 0.00 0.45 0.00 0.00 32.46 31.42 3kf7 n ARG 94 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3kf7 s SER 95 N -5.35 0.79 0.23 6.15 1.04 -1.26 -5.06 113.70 110.24 3kf7 s SER 95 Ca -0.03 -1.49 -0.05 0.00 0.48 0.00 0.00 55.95 54.86 3kf7 s SER 95 Cb 0.10 0.51 0.24 0.00 0.10 0.00 0.00 66.02 66.98 3kf7 s SER 95 CO 0.82 -1.03 1.74 0.25 0.98 0.00 0.00 173.24 176.01 3kf7 h LEU 96 N 2.32 0.90 -1.18 2.42 5.85 -1.96 -2.91 115.31 120.75 3kf7 h LEU 96 Ca -0.30 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 3kf7 h LEU 96 Cb 1.24 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3kf7 h LEU 96 CO 0.43 0.92 -0.17 1.05 -0.34 0.00 0.00 178.44 180.33 3kf7 h GLU 97 N 0.89 0.37 -0.22 1.25 9.09 -2.02 -2.51 114.58 121.43 3kf7 h GLU 97 Ca 0.18 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3kf7 h GLU 97 Cb 0.41 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 3kf7 h GLU 97 CO 0.01 0.53 0.00 -1.91 0.05 0.00 0.00 179.01 177.69 3kf7 n GLU 98 N -4.20 1.67 -2.82 1.06 2.13 -1.15 -4.89 120.64 112.43 3kf7 n GLU 98 Ca -0.00 -1.02 -0.43 0.00 0.66 0.00 0.00 57.16 56.37 3kf7 n GLU 98 Cb 0.33 -1.31 -0.04 0.00 0.27 0.00 0.00 31.44 30.68 3kf7 n GLU 98 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3kf7 s PHE 99 N -1.71 2.72 0.00 4.31 5.99 -0.95 -4.63 117.98 123.71 3kf7 s PHE 99 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 56.93 57.04 3kf7 s PHE 99 Cb 0.14 -4.18 0.00 0.00 0.00 0.00 0.00 43.02 38.98 3kf7 s PHE 99 CO 0.20 -1.49 0.08 -1.71 -0.00 0.00 0.00 175.22 172.30 3kf7 n ASN 100 N 7.68 0.15 -4.08 6.13 5.15 -1.26 -5.05 115.26 123.98 3kf7 n ASN 100 Ca 0.00 -0.48 -0.20 0.00 -0.60 0.00 0.00 54.58 53.30 3kf7 n ASN 100 Cb 0.47 0.30 -0.15 0.00 -0.53 0.00 0.00 39.78 39.87 3kf7 n ASN 100 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3kf7 s ASP 101 N -0.30 1.41 -0.06 1.20 1.01 -1.26 -4.59 116.67 114.08 3kf7 s ASP 101 Ca 0.00 -0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.03 3kf7 s ASP 101 Cb 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.79 3kf7 s ASP 101 CO 0.00 0.12 -0.16 -0.69 0.21 0.00 0.00 175.17 174.64 3kf7 s VAL 102 N -0.41 1.40 -0.07 -1.27 1.01 -1.26 -4.55 120.40 115.25 3kf7 s VAL 102 Ca 0.04 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3kf7 s VAL 102 Cb -0.05 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3kf7 s VAL 102 CO -0.00 0.41 -0.25 -0.31 0.00 0.00 0.00 175.10 174.95 3kf7 s TYR 103 N 0.25 2.46 -0.04 5.22 1.51 0.06 -1.82 117.35 125.00 3kf7 s TYR 103 Ca -0.09 -0.82 0.05 0.00 -1.01 0.00 0.00 57.07 55.21 3kf7 s TYR 103 Cb -0.13 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 3kf7 s TYR 103 CO 0.03 -0.28 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.50 3kf7 s LEU 104 N -0.01 2.49 -0.01 -1.29 1.43 -0.39 -1.37 118.68 119.53 3kf7 s LEU 104 Ca -0.08 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3kf7 s LEU 104 Cb -0.15 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 3kf7 s LEU 104 CO 0.05 0.33 -0.11 0.54 0.23 0.00 0.00 176.35 177.39 3kf7 s VAL 105 N -0.66 0.90 0.15 -1.59 0.11 -0.11 -1.05 120.40 118.15 3kf7 s VAL 105 Ca 0.10 -0.47 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 3kf7 s VAL 105 Cb -0.11 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3kf7 s VAL 105 CO 0.00 0.26 0.20 0.28 -3.33 0.00 0.00 175.10 172.51 3kf7 s THR 106 N -0.16 0.08 0.21 5.04 -1.32 -0.68 -0.31 115.64 118.50 3kf7 s THR 106 Ca 0.03 -1.60 -0.32 0.00 -1.21 0.00 0.00 61.69 58.59 3kf7 s THR 106 Cb -0.06 -1.93 -0.13 0.00 -1.51 0.00 0.00 72.50 68.87 3kf7 s THR 106 CO -0.00 -0.35 1.58 1.41 -2.21 0.00 0.00 174.62 175.04 3kf7 n HIS 107 N -0.17 2.46 -2.64 9.09 8.25 -1.26 -0.37 115.22 130.58 3kf7 n HIS 107 Ca -0.06 0.25 -0.43 0.00 -0.26 0.00 0.00 57.72 57.22 3kf7 n HIS 107 Cb 0.63 -2.56 -0.02 0.00 1.12 0.00 0.00 29.99 29.16 3kf7 n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kf7 s LEU 108 N 0.54 3.97 -0.15 2.41 2.96 -0.69 -4.53 118.68 123.19 3kf7 s LEU 108 Ca 0.73 1.12 -0.26 0.00 -0.22 0.00 0.00 54.13 55.50 3kf7 s LEU 108 Cb -0.60 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.30 3kf7 s LEU 108 CO 0.41 -0.84 0.62 0.24 -1.32 0.00 0.00 176.35 175.46 3kf7 h MET 109 N 7.98 0.02 0.00 1.98 2.86 -1.90 -3.47 114.93 122.41 3kf7 h MET 109 Ca -0.20 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3kf7 h MET 109 Cb 1.06 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3kf7 h MET 109 CO 1.02 1.02 0.00 0.41 1.06 0.00 0.00 176.91 180.42 3kf7 n GLY 110 N 1.57 0.75 3.51 8.32 0.00 -1.26 -4.25 105.19 113.82 3kf7 n GLY 110 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3kf7 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kf7 s ALA 111 N -2.00 -1.58 0.44 4.61 0.00 -1.21 -5.03 121.76 116.99 3kf7 s ALA 111 Ca 0.00 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.49 3kf7 s ALA 111 Cb 0.00 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.93 3kf7 s ALA 111 CO 0.00 -0.80 0.54 0.16 0.00 0.00 0.00 175.76 175.65 3kf7 s ASP 112 N -2.74 5.39 0.25 0.00 1.47 -1.26 -0.78 116.67 119.00 3kf7 s ASP 112 Ca 0.03 -0.59 -0.05 0.00 1.18 0.00 0.00 52.55 53.12 3kf7 s ASP 112 Cb -0.02 -0.48 0.29 0.00 -0.34 0.00 0.00 42.92 42.37 3kf7 s ASP 112 CO -0.09 -0.81 1.93 0.25 0.68 0.00 0.00 175.17 177.12 3kf7 h LEU 113 N 0.69 1.13 -0.63 2.11 6.46 -0.96 -2.30 115.31 121.82 3kf7 h LEU 113 Ca -0.39 -0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.42 3kf7 h LEU 113 Cb 1.28 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.87 3kf7 h LEU 113 CO 0.48 0.81 0.31 -1.13 -0.62 0.00 0.00 178.44 178.30 3kf7 h ASN 114 N 1.34 0.42 0.00 1.25 -0.73 -1.86 -1.35 115.58 114.65 3kf7 h ASN 114 Ca 0.37 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.59 3kf7 h ASN 114 Cb -0.13 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.43 3kf7 h ASN 114 CO -0.09 0.26 0.08 0.59 -0.37 0.00 0.00 177.43 177.91 3kf7 n ASN 115 N -4.87 0.00 -0.06 1.15 5.03 -0.86 -1.45 115.26 114.19 3kf7 n ASN 115 Ca 0.08 0.29 -0.08 0.00 0.87 0.00 0.00 54.58 55.74 3kf7 n ASN 115 Cb 0.21 -0.29 -0.07 0.00 -1.02 0.00 0.00 39.78 38.61 3kf7 n ASN 115 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3kf7 n ILE 116 N -1.26 0.73 0.18 2.41 2.08 -0.56 -4.66 119.36 118.28 3kf7 n ILE 116 Ca 0.00 -0.33 0.19 0.00 0.56 0.00 0.00 62.75 63.17 3kf7 n ILE 116 Cb 0.08 -0.90 0.80 0.00 -0.75 0.00 0.00 39.64 38.87 3kf7 n ILE 116 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3kf7 h VAL 117 N 0.00 0.33 -3.42 1.39 2.07 -0.71 -3.39 116.25 112.52 3kf7 h VAL 117 Ca -0.29 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.71 3kf7 h VAL 117 Cb 1.50 0.72 0.05 0.00 -1.52 0.00 0.00 31.29 32.05 3kf7 h VAL 117 CO -0.03 0.00 0.74 -0.75 0.02 0.00 0.00 177.57 177.55 3kf7 s LYS 118 N -4.52 4.29 0.00 1.57 2.47 -1.17 -2.99 119.74 119.40 3kf7 s LYS 118 Ca -0.04 2.26 0.00 0.00 -1.56 0.00 0.00 55.97 56.63 3kf7 s LYS 118 Cb 0.14 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.39 3kf7 s LYS 118 CO 0.49 -0.38 0.00 0.00 0.16 0.00 0.00 175.35 175.62 3kf7 s GLN 120 N -0.97 1.08 -0.07 0.00 2.00 -1.16 -5.14 119.66 115.41 3kf7 s GLN 120 Ca 0.00 -1.19 -0.03 0.00 -2.00 0.00 0.00 55.36 52.14 3kf7 s GLN 120 Cb 0.00 -1.18 0.04 0.00 0.80 0.00 0.00 33.01 32.67 3kf7 s GLN 120 CO 0.00 0.26 0.15 0.21 -0.50 0.00 0.00 175.29 175.41 3kf7 s LYS 121 N -2.22 0.10 0.22 1.67 2.20 -1.26 -4.78 119.74 115.68 3kf7 s LYS 121 Ca 0.07 0.38 -0.13 0.00 -0.36 0.00 0.00 55.97 55.93 3kf7 s LYS 121 Cb -0.08 -0.17 -0.08 0.00 -1.51 0.00 0.00 37.83 36.00 3kf7 s LYS 121 CO 0.04 -0.16 0.61 -0.51 -0.36 0.00 0.00 175.35 174.97 3kf7 s LEU 122 N 1.14 4.21 0.84 5.43 1.02 -0.99 -5.06 118.68 125.26 3kf7 s LEU 122 Ca -0.09 1.10 -0.11 0.00 0.02 0.00 0.00 54.13 55.05 3kf7 s LEU 122 Cb -0.11 -3.64 0.09 0.00 0.02 0.00 0.00 46.19 42.56 3kf7 s LEU 122 CO -0.06 -0.04 1.09 0.42 0.02 0.00 0.00 176.35 177.78 3kf7 s THR 123 N -1.72 2.96 0.19 5.49 -4.23 -1.26 -4.74 115.64 112.34 3kf7 s THR 123 Ca 0.46 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 61.16 3kf7 s THR 123 Cb -0.13 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 70.95 3kf7 s THR 123 CO 0.20 -0.41 1.83 -0.78 -0.54 0.00 0.00 174.62 174.92 3kf7 h ASP 124 N -1.32 0.61 -0.82 3.99 3.58 -1.97 -2.33 116.42 118.17 3kf7 h ASP 124 Ca -0.47 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 56.98 3kf7 h ASP 124 Cb 1.26 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.14 3kf7 h ASP 124 CO 0.55 0.43 0.54 0.44 -2.88 0.00 0.00 179.24 178.32 3kf7 h ASP 125 N 0.74 0.94 0.04 2.28 3.45 -1.99 0.13 116.42 122.01 3kf7 h ASP 125 Ca 0.24 -0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.53 3kf7 h ASP 125 Cb -0.00 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 3kf7 h ASP 125 CO -0.09 0.69 -0.44 0.45 -1.57 0.00 0.00 179.24 178.28 3kf7 h HIS 126 N 1.11 0.59 -0.64 4.55 3.86 -1.89 -2.23 115.15 120.49 3kf7 h HIS 126 Ca 0.30 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 3kf7 h HIS 126 Cb -0.12 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 3kf7 h HIS 126 CO -0.01 0.85 0.07 0.28 0.86 0.00 0.00 177.93 179.97 3kf7 h VAL 127 N 0.40 1.26 -0.37 2.45 2.07 -0.75 -1.68 116.25 119.63 3kf7 h VAL 127 Ca 0.03 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3kf7 h VAL 127 Cb 0.93 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3kf7 h VAL 127 CO 0.08 0.40 0.24 1.56 0.02 0.00 0.00 177.57 179.87 3kf7 h GLN 128 N 1.01 0.49 -0.32 1.57 4.20 -0.58 -1.71 115.11 119.77 3kf7 h GLN 128 Ca 0.19 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 3kf7 h GLN 128 Cb 0.48 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3kf7 h GLN 128 CO 0.02 0.34 -0.13 0.35 -0.67 0.00 0.00 178.83 178.74 3kf7 h PHE 129 N 0.50 0.75 -0.07 2.96 3.57 -1.24 -0.98 116.94 122.44 3kf7 h PHE 129 Ca 0.14 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3kf7 h PHE 129 Cb -0.04 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 3kf7 h PHE 129 CO -0.05 0.86 0.00 -0.07 -2.23 0.00 0.00 178.31 176.83 3kf7 h LEU 130 N 0.43 0.12 -0.59 0.59 4.07 -1.25 -2.25 115.31 116.44 3kf7 h LEU 130 Ca 0.08 -0.29 -0.13 0.00 0.08 0.00 0.00 57.88 57.61 3kf7 h LEU 130 Cb 0.65 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 3kf7 h LEU 130 CO 0.04 0.38 -0.29 0.40 -1.08 0.00 0.00 178.44 177.89 3kf7 h ILE 131 N -0.15 1.28 -0.63 1.22 1.08 -1.36 -1.81 117.51 117.14 3kf7 h ILE 131 Ca 0.02 -1.44 0.10 0.00 -0.39 0.00 0.00 64.86 63.15 3kf7 h ILE 131 Cb 0.32 1.30 -0.08 0.00 -3.07 0.00 0.00 36.82 35.30 3kf7 h ILE 131 CO 0.00 0.48 0.23 0.22 -0.69 0.00 0.00 178.15 178.39 3kf7 h TYR 132 N 0.69 0.40 -0.37 1.37 3.20 -1.11 -0.53 116.97 120.63 3kf7 h TYR 132 Ca 0.08 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 3kf7 h TYR 132 Cb 0.83 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3kf7 h TYR 132 CO 0.05 0.09 -0.21 1.96 -1.64 0.00 0.00 178.16 178.41 3kf7 h GLN 133 N 0.41 0.80 -0.23 1.82 4.20 -1.14 0.90 115.11 121.86 3kf7 h GLN 133 Ca 0.32 -0.36 0.05 0.00 0.06 0.00 0.00 58.65 58.72 3kf7 h GLN 133 Cb 0.41 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 3kf7 h GLN 133 CO -0.32 0.99 -0.13 0.82 -0.67 0.00 0.00 178.83 179.52 3kf7 h ILE 134 N 0.59 0.61 -0.32 2.54 2.04 -1.00 -0.88 117.51 121.10 3kf7 h ILE 134 Ca 0.08 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.84 3kf7 h ILE 134 Cb 0.77 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3kf7 h ILE 134 CO 0.06 0.00 -0.22 -0.07 0.00 0.00 0.00 178.15 177.93 3kf7 h LEU 135 N -0.11 0.60 -0.45 1.44 3.38 -0.87 0.73 115.31 120.03 3kf7 h LEU 135 Ca 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kf7 h LEU 135 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3kf7 h LEU 135 CO -0.30 0.81 0.22 -0.09 0.09 0.00 0.00 178.44 179.18 3kf7 h ARG 136 N 0.53 0.65 -0.76 1.13 2.43 -0.61 0.35 114.38 118.10 3kf7 h ARG 136 Ca 0.08 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3kf7 h ARG 136 Cb 0.66 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3kf7 h ARG 136 CO 0.05 0.55 0.33 0.78 -1.51 0.00 0.00 179.97 180.16 3kf7 h GLY 137 N 0.59 1.21 1.38 2.80 0.00 -0.67 -3.04 103.07 105.34 3kf7 h GLY 137 Ca 0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 3kf7 h GLY 137 CO -0.02 0.60 -0.28 1.41 0.00 0.00 0.00 176.54 178.26 3kf7 h LEU 138 N 1.09 0.72 -0.40 3.11 3.38 -0.55 -0.76 115.31 121.89 3kf7 h LEU 138 Ca 0.26 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3kf7 h LEU 138 Cb 0.18 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3kf7 h LEU 138 CO -0.03 0.96 0.06 0.50 0.09 0.00 0.00 178.44 180.03 3kf7 h LYS 139 N 0.60 0.18 -0.11 1.13 3.64 -0.84 0.23 116.57 121.41 3kf7 h LYS 139 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3kf7 h LYS 139 Cb 0.78 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3kf7 h LYS 139 CO 0.06 0.12 0.05 -0.92 -2.27 0.00 0.00 179.45 176.49 3kf7 h TYR 140 N 0.19 0.17 -0.05 1.91 3.20 -1.38 -1.15 116.97 119.86 3kf7 h TYR 140 Ca 0.20 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kf7 h TYR 140 Cb 0.25 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 3kf7 h TYR 140 CO -0.21 0.26 0.03 0.82 -1.64 0.00 0.00 178.16 177.41 3kf7 h ILE 141 N 0.03 1.04 0.00 1.81 2.04 -0.74 -2.41 117.51 119.28 3kf7 h ILE 141 Ca 0.04 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3kf7 h ILE 141 Cb 0.16 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3kf7 h ILE 141 CO -0.00 0.04 -0.08 0.45 0.00 0.00 0.00 178.15 178.55 3kf7 h HIS 142 N 0.03 0.00 0.00 1.37 3.86 -0.52 -1.17 115.15 118.73 3kf7 h HIS 142 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3kf7 h HIS 142 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3kf7 h HIS 142 CO -0.06 0.08 0.00 -1.13 0.86 0.00 0.00 177.93 177.68 3kf7 n SER 143 N -4.21 0.48 -1.07 2.45 3.41 -0.44 -1.93 113.62 112.30 3kf7 n SER 143 Ca -0.03 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 3kf7 n SER 143 Cb 0.16 -0.71 0.27 0.00 -0.26 0.00 0.00 64.21 63.67 3kf7 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kf7 n ALA 144 N -1.69 2.42 -2.12 7.33 0.00 -0.45 -4.69 120.51 121.31 3kf7 n ALA 144 Ca 0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 53.44 52.37 3kf7 n ALA 144 Cb 0.25 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 3kf7 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kf7 n ASP 145 N 1.24 -3.68 -4.54 0.00 4.64 -0.81 -4.52 116.55 108.88 3kf7 n ASP 145 Ca 0.20 0.02 -0.34 0.00 -1.38 0.00 0.00 54.79 53.29 3kf7 n ASP 145 Cb 0.52 -2.83 -0.12 0.00 -1.04 0.00 0.00 41.12 37.65 3kf7 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3kf7 s ILE 146 N -2.54 3.82 -0.15 5.18 1.01 -1.16 -5.05 121.20 122.32 3kf7 s ILE 146 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3kf7 s ILE 146 Cb 0.00 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 3kf7 s ILE 146 CO 0.00 0.54 -0.06 -0.63 0.00 0.00 0.00 174.94 174.79 3kf7 s ILE 147 N -0.18 3.68 0.00 2.92 1.01 -1.26 -3.66 121.20 123.72 3kf7 s ILE 147 Ca 0.03 -0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.00 3kf7 s ILE 147 Cb -0.13 -2.60 -0.17 0.00 0.01 0.00 0.00 42.46 39.58 3kf7 s ILE 147 CO 0.03 0.50 1.23 -0.74 0.00 0.00 0.00 174.94 175.96 3kf7 h HIS 148 N 6.67 -0.31 0.00 3.97 -0.00 -1.94 -3.28 115.15 120.25 3kf7 h HIS 148 Ca -0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 3kf7 h HIS 148 Cb 1.20 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3kf7 h HIS 148 CO 0.52 0.03 0.00 0.54 -0.00 0.00 0.00 177.93 179.02 3kf7 n ARG 149 N -5.08 0.00 -2.73 5.26 1.74 -1.26 -4.00 116.66 110.58 3kf7 n ARG 149 Ca -0.09 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.94 3kf7 n ARG 149 Cb 0.25 -1.26 0.05 0.00 -1.02 0.00 0.00 32.46 30.48 3kf7 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kf7 n ASP 150 N 0.00 1.15 -4.72 0.55 2.03 -1.26 -5.00 116.55 109.29 3kf7 n ASP 150 Ca 0.00 -2.41 -0.42 0.00 0.52 0.00 0.00 54.79 52.48 3kf7 n ASP 150 Cb 0.00 -0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.01 3kf7 n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kf7 s LEU 151 N -3.43 4.39 0.03 -2.67 1.43 -1.26 -4.85 118.68 112.32 3kf7 s LEU 151 Ca 0.26 2.26 -0.28 0.00 -1.03 0.00 0.00 54.13 55.34 3kf7 s LEU 151 Cb 0.40 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 43.12 3kf7 s LEU 151 CO -0.01 -0.55 0.91 -1.59 0.23 0.00 0.00 176.35 175.35 3kf7 s LYS 152 N 0.64 0.90 0.35 1.70 -2.85 -1.26 -4.80 119.74 114.41 3kf7 s LYS 152 Ca 0.60 -0.38 0.08 0.00 -1.00 0.00 0.00 55.97 55.27 3kf7 s LYS 152 Cb -0.35 0.38 0.79 0.00 -2.06 0.00 0.00 37.83 36.59 3kf7 s LYS 152 CO 0.33 -0.40 1.86 -1.35 0.10 0.00 0.00 175.35 175.89 3kf7 h PRO 153 N 2.00 0.71 0.00 1.78 0.11 -1.94 0.18 132.00 134.83 3kf7 h PRO 153 Ca -0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kf7 h PRO 153 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kf7 h PRO 153 CO 0.30 0.47 0.00 0.66 -0.21 0.00 0.00 178.00 179.21 3kf7 h SER 154 N 0.73 0.00 -0.57 -2.05 4.64 -1.95 -2.23 113.55 112.12 3kf7 h SER 154 Ca 0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.74 3kf7 h SER 154 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3kf7 h SER 154 CO -0.21 0.00 0.04 0.59 -0.87 0.00 0.00 176.83 176.38 3kf7 n ASN 155 N -2.72 5.37 -3.95 4.97 5.03 0.05 -4.82 115.26 119.18 3kf7 n ASN 155 Ca -0.00 -2.92 -0.30 0.00 0.87 0.00 0.00 54.58 52.23 3kf7 n ASN 155 Cb 0.18 -0.69 -0.16 0.00 -1.02 0.00 0.00 39.78 38.09 3kf7 n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kf7 s LEU 156 N -2.64 1.99 -0.03 3.41 1.43 -0.85 -0.65 118.68 121.34 3kf7 s LEU 156 Ca 0.52 -0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 3kf7 s LEU 156 Cb 0.40 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 3kf7 s LEU 156 CO 0.15 -0.16 0.49 0.00 0.23 0.00 0.00 176.35 177.06 3kf7 s ALA 157 N 1.49 3.57 -0.02 4.21 0.00 0.20 -1.19 121.76 130.02 3kf7 s ALA 157 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3kf7 s ALA 157 Cb -0.16 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.41 3kf7 s ALA 157 CO -0.08 0.25 0.00 0.08 0.00 0.00 0.00 175.76 176.01 3kf7 s VAL 158 N -0.34 0.11 0.56 0.00 1.01 0.04 -0.52 120.40 121.26 3kf7 s VAL 158 Ca 0.26 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.41 3kf7 s VAL 158 Cb -0.17 -0.19 0.08 0.00 0.00 0.00 0.00 36.38 36.10 3kf7 s VAL 158 CO 0.14 0.11 0.77 0.54 0.00 0.00 0.00 175.10 176.65 3kf7 s ASN 159 N 0.76 5.16 0.57 3.32 2.20 -0.49 -3.29 114.94 123.16 3kf7 s ASN 159 Ca -0.07 -0.78 0.26 0.00 -0.94 0.00 0.00 52.86 51.33 3kf7 s ASN 159 Cb -0.10 0.17 1.65 0.00 -2.00 0.00 0.00 41.25 40.97 3kf7 s ASN 159 CO -0.02 -1.28 2.21 1.05 -2.94 0.00 0.00 177.10 176.13 3kf7 h GLU 160 N 0.22 0.00 0.00 3.55 9.09 -1.90 0.17 114.58 125.71 3kf7 h GLU 160 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 3kf7 h GLU 160 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3kf7 h GLU 160 CO 0.41 0.01 0.00 -0.25 0.05 0.00 0.00 179.01 179.24 3kf7 n ASP 161 N -4.01 0.00 -1.92 3.06 9.92 -1.26 -4.90 116.55 117.44 3kf7 n ASP 161 Ca -0.03 -0.99 -0.21 0.00 -0.53 0.00 0.00 54.79 53.04 3kf7 n ASP 161 Cb 0.10 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.52 3kf7 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kf7 s GLU 163 N -4.27 4.77 0.00 0.00 2.02 -1.26 -4.83 118.70 115.14 3kf7 s GLU 163 Ca 0.00 1.60 0.06 0.00 0.02 0.00 0.00 54.97 56.66 3kf7 s GLU 163 Cb 0.00 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 3kf7 s GLU 163 CO 0.00 0.39 -0.20 -1.17 0.02 0.00 0.00 175.26 174.31 3kf7 s LEU 164 N -1.21 2.08 -0.02 1.80 0.20 -1.26 -1.40 118.68 118.86 3kf7 s LEU 164 Ca 0.43 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 54.88 3kf7 s LEU 164 Cb -0.28 -0.98 -0.00 0.00 -0.43 0.00 0.00 46.19 44.49 3kf7 s LEU 164 CO 0.35 0.21 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.98 3kf7 s LYS 165 N -0.67 0.92 0.11 1.98 1.02 0.32 -4.32 119.74 119.10 3kf7 s LYS 165 Ca 0.07 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 3kf7 s LYS 165 Cb -0.08 -0.87 -0.06 0.00 -0.52 0.00 0.00 37.83 36.30 3kf7 s LYS 165 CO -0.00 0.18 1.02 0.42 -0.92 0.00 0.00 175.35 176.05 3kf7 s ILE 166 N -0.07 4.34 0.11 2.17 1.01 -0.36 -0.63 121.20 127.76 3kf7 s ILE 166 Ca 0.01 1.90 0.05 0.00 0.00 0.00 0.00 60.65 62.62 3kf7 s ILE 166 Cb -0.06 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 3kf7 s ILE 166 CO -0.00 0.27 0.03 -0.76 0.00 0.00 0.00 174.94 174.48 3kf7 s LEU 167 N 0.09 3.54 -0.35 2.97 1.43 0.17 -2.16 118.68 124.37 3kf7 s LEU 167 Ca 0.49 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3kf7 s LEU 167 Cb -0.25 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3kf7 s LEU 167 CO 0.31 0.15 0.00 0.47 0.23 0.00 0.00 176.35 177.51 3kf7 n ASP 168 N 0.32 -5.13 -3.21 2.29 8.00 -1.26 -4.84 116.55 112.71 3kf7 n ASP 168 Ca -0.10 0.08 -0.29 0.00 0.71 0.00 0.00 54.79 55.19 3kf7 n ASP 168 Cb 0.53 -2.92 0.01 0.00 -0.02 0.00 0.00 41.12 38.72 3kf7 n ASP 168 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3kf7 n PHE 169 N -2.32 -2.74 0.00 1.24 1.16 -1.26 -3.46 117.46 110.07 3kf7 n PHE 169 Ca -0.03 0.24 0.00 0.00 -1.87 0.00 0.00 57.45 55.79 3kf7 n PHE 169 Cb 0.40 -1.24 0.00 0.00 -1.61 0.00 0.00 39.48 37.02 3kf7 n PHE 169 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3kf7 n GLY 170 N 2.15 1.31 0.00 4.97 0.00 -1.24 -5.00 105.19 107.38 3kf7 n GLY 170 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kf7 n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kf7 n LEU 171 N 0.00 0.05 -4.02 0.99 4.77 -1.22 -4.98 117.00 112.58 3kf7 n LEU 171 Ca 0.00 0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.62 3kf7 n LEU 171 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3kf7 n LEU 171 CO 0.00 0.00 -0.13 0.52 -1.33 0.00 0.00 177.39 176.45 3kf7 n VAL 183 N -0.03 -2.04 -2.21 4.08 0.31 -1.26 -4.95 118.33 112.23 3kf7 n VAL 183 Ca 0.00 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.46 3kf7 n VAL 183 Cb 0.00 -1.73 -0.03 0.00 -0.91 0.00 0.00 33.84 31.17 3kf7 n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kf7 s ALA 184 N -3.84 3.51 0.34 3.52 0.00 -1.26 -4.91 121.76 119.12 3kf7 s ALA 184 Ca 0.39 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.53 3kf7 s ALA 184 Cb -0.22 -3.47 0.71 0.00 0.00 0.00 0.00 23.12 20.15 3kf7 s ALA 184 CO 0.77 -0.53 1.89 1.79 0.00 0.00 0.00 175.76 179.68 3kf7 h THR 185 N 3.56 0.92 -0.94 0.00 1.35 -1.97 -2.49 112.91 113.34 3kf7 h THR 185 Ca -0.46 -0.28 0.26 0.00 -0.55 0.00 0.00 66.41 65.38 3kf7 h THR 185 Cb 1.22 0.05 -0.14 0.00 -1.73 0.00 0.00 68.15 67.55 3kf7 h THR 185 CO 0.74 0.15 0.44 0.03 -0.25 0.00 0.00 175.52 176.63 3kf7 h ARG 186 N 0.81 0.35 0.00 4.72 2.47 -1.96 -2.01 114.38 118.76 3kf7 h ARG 186 Ca 0.42 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.11 3kf7 h ARG 186 Cb 0.51 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3kf7 h ARG 186 CO -0.18 0.23 -0.04 -1.49 0.56 0.00 0.00 179.97 179.04 3kf7 h TRP 187 N 0.36 0.00 -0.09 3.04 6.55 -1.68 -2.59 115.95 121.54 3kf7 h TRP 187 Ca 0.62 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.46 3kf7 h TRP 187 Cb 1.28 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.58 3kf7 h TRP 187 CO -0.11 0.04 0.00 0.66 -1.05 0.00 0.00 178.44 177.98 3kf7 n TYR 188 N -4.19 0.10 -3.24 0.49 4.02 -0.78 -4.55 117.16 109.02 3kf7 n TYR 188 Ca -0.03 -0.11 -0.37 0.00 -0.01 0.00 0.00 57.90 57.38 3kf7 n TYR 188 Cb 0.13 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.38 3kf7 n TYR 188 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3kf7 s ARG 189 N -0.95 4.18 0.61 -0.72 3.52 -0.98 -3.69 118.95 120.93 3kf7 s ARG 189 Ca 0.15 0.73 -0.19 0.00 -0.13 0.00 0.00 55.73 56.29 3kf7 s ARG 189 Cb 0.10 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 3kf7 s ARG 189 CO 0.14 0.54 1.30 0.00 -0.81 0.00 0.00 175.30 176.48 3kf7 s ALA 190 N -1.29 2.52 0.39 6.12 0.00 -1.26 -4.84 121.76 123.40 3kf7 s ALA 190 Ca 0.35 1.22 0.11 0.00 0.00 0.00 0.00 51.96 53.63 3kf7 s ALA 190 Cb -0.18 -3.54 0.80 0.00 0.00 0.00 0.00 23.12 20.20 3kf7 s ALA 190 CO 0.20 -1.47 1.90 -1.00 0.00 0.00 0.00 175.76 175.39 3kf7 h PRO 191 N 0.84 0.14 0.00 0.00 0.13 -1.96 -2.44 132.00 128.71 3kf7 h PRO 191 Ca -0.51 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3kf7 h PRO 191 Cb 1.32 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3kf7 h PRO 191 CO 0.54 0.34 -0.00 1.05 -0.23 0.00 0.00 178.00 179.71 3kf7 h GLU 192 N 0.13 0.00 0.00 0.86 9.09 -1.91 -1.54 114.58 121.21 3kf7 h GLU 192 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 3kf7 h GLU 192 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3kf7 h GLU 192 CO 0.03 0.00 -1.52 -0.89 0.05 0.00 0.00 179.01 176.68 3kf7 n ILE 193 N -3.10 0.00 -0.08 -1.06 5.41 -0.98 -2.68 119.36 116.87 3kf7 n ILE 193 Ca -0.01 -0.27 -0.13 0.00 1.00 0.00 0.00 62.75 63.34 3kf7 n ILE 193 Cb 0.18 0.47 -0.05 0.00 -0.71 0.00 0.00 39.64 39.53 3kf7 n ILE 193 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3kf7 h MET 194 N 0.00 0.57 0.00 0.38 2.86 -0.92 -3.22 114.93 114.60 3kf7 h MET 194 Ca 0.00 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3kf7 h MET 194 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3kf7 h MET 194 CO 0.00 0.86 0.00 1.25 1.06 0.00 0.00 176.91 180.08 3kf7 h LEU 195 N 0.28 0.00 -2.71 1.22 7.12 -1.48 -3.48 115.31 116.26 3kf7 h LEU 195 Ca 0.04 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.05 3kf7 h LEU 195 Cb 0.74 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.87 3kf7 h LEU 195 CO 0.05 0.00 0.00 -3.20 -0.13 0.00 0.00 178.44 175.16 3kf7 n ASN 196 N -2.84 -1.81 -4.02 1.25 4.05 -1.22 -4.92 115.26 105.77 3kf7 n ASN 196 Ca -0.00 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 54.78 3kf7 n ASN 196 Cb 0.20 -0.90 -0.17 0.00 1.23 0.00 0.00 39.78 40.14 3kf7 n ASN 196 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3kf7 s TRP 197 N -2.38 1.42 -0.53 1.20 -0.00 -1.09 -5.04 118.94 112.52 3kf7 s TRP 197 Ca 0.00 -0.52 0.03 0.00 -0.00 0.00 0.00 56.10 55.61 3kf7 s TRP 197 Cb 0.00 -1.05 0.42 0.00 -0.00 0.00 0.00 33.47 32.84 3kf7 s TRP 197 CO 0.00 -0.27 1.46 0.00 -0.00 0.00 0.00 176.95 178.14 3kf7 n MET 198 N 3.84 3.22 -0.97 5.86 0.00 -1.26 -4.42 117.12 123.38 3kf7 n MET 198 Ca -0.23 -4.04 0.02 0.00 0.00 0.00 0.00 57.70 53.46 3kf7 n MET 198 Cb 0.52 -2.27 0.02 0.00 0.00 0.00 0.00 33.22 31.49 3kf7 n MET 198 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3kf7 n HIS 199 N -0.61 0.00 -0.34 3.17 8.25 -1.26 -5.13 115.22 119.31 3kf7 n HIS 199 Ca 0.47 -0.30 -0.29 0.00 -0.26 0.00 0.00 57.72 57.34 3kf7 n HIS 199 Cb 0.64 -0.10 0.28 0.00 1.12 0.00 0.00 29.99 31.93 3kf7 n HIS 199 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3kf7 n TYR 200 N 0.18 -2.72 -4.36 4.41 0.18 -1.26 -5.09 117.16 108.50 3kf7 n TYR 200 Ca 0.04 -0.53 -0.17 0.00 1.88 0.00 0.00 57.90 59.12 3kf7 n TYR 200 Cb 0.91 -1.49 -0.05 0.00 -0.38 0.00 0.00 39.34 38.33 3kf7 n TYR 200 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 3kf7 n ASN 201 N -5.38 1.36 0.30 9.48 0.23 -1.26 -5.03 115.26 114.96 3kf7 n ASN 201 Ca 0.08 -2.45 0.17 0.00 -0.53 0.00 0.00 54.58 51.85 3kf7 n ASN 201 Cb 0.57 0.63 0.96 0.00 -2.08 0.00 0.00 39.78 39.87 3kf7 n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3kf7 h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.97 -1.95 115.11 111.57 3kf7 h GLN 202 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3kf7 h GLN 202 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3kf7 h GLN 202 CO 0.35 0.02 0.00 0.25 -0.67 0.00 0.00 178.83 178.79 3kf7 n THR 203 N -3.54 0.62 -0.32 -0.54 -2.24 -1.26 -1.76 114.28 105.24 3kf7 n THR 203 Ca -0.03 0.16 0.16 0.00 -2.27 0.00 0.00 64.05 62.07 3kf7 n THR 203 Cb 0.12 -0.97 0.35 0.00 -2.10 0.00 0.00 70.33 67.73 3kf7 n THR 203 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3kf7 h VAL 204 N 0.00 0.43 0.00 2.28 3.04 -1.73 -0.79 116.25 119.48 3kf7 h VAL 204 Ca 0.00 -0.13 -0.10 0.00 -1.01 0.00 0.00 66.70 65.46 3kf7 h VAL 204 Cb 0.09 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.36 3kf7 h VAL 204 CO 0.00 0.07 -0.46 0.44 -1.01 0.00 0.00 177.57 176.61 3kf7 h ASP 205 N 0.39 0.00 -0.27 3.17 3.45 -1.60 -3.04 116.42 118.51 3kf7 h ASP 205 Ca 0.61 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.90 3kf7 h ASP 205 Cb 1.21 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3kf7 h ASP 205 CO -0.55 0.46 -0.47 0.40 -1.57 0.00 0.00 179.24 177.51 3kf7 h ILE 206 N 0.00 1.28 -0.57 0.35 1.08 -1.31 -2.14 117.51 116.20 3kf7 h ILE 206 Ca -0.00 -1.65 0.10 0.00 -0.39 0.00 0.00 64.86 62.91 3kf7 h ILE 206 Cb 1.08 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 36.28 3kf7 h ILE 206 CO 0.06 0.54 0.17 -0.25 -0.69 0.00 0.00 178.15 177.98 3kf7 h TRP 207 N 0.67 0.28 -0.59 1.37 2.91 -1.28 -1.10 115.95 118.20 3kf7 h TRP 207 Ca 0.04 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.05 3kf7 h TRP 207 Cb 1.06 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.64 3kf7 h TRP 207 CO 0.06 0.03 0.22 0.77 -1.03 0.00 0.00 178.44 178.50 3kf7 h SER 208 N 0.32 0.83 -0.66 2.65 0.02 -1.44 -1.38 113.55 113.88 3kf7 h SER 208 Ca 0.29 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3kf7 h SER 208 Cb 0.39 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 3kf7 h SER 208 CO -0.34 0.79 0.38 0.58 -1.14 0.00 0.00 176.83 177.10 3kf7 h VAL 209 N 0.82 1.01 -0.67 2.27 2.07 -0.87 0.22 116.25 121.10 3kf7 h VAL 209 Ca 0.20 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3kf7 h VAL 209 Cb 0.23 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 3kf7 h VAL 209 CO -0.01 0.13 0.38 1.23 0.02 0.00 0.00 177.57 179.32 3kf7 h GLY 210 N 0.72 0.97 1.27 2.17 0.00 -0.56 0.24 103.07 107.90 3kf7 h GLY 210 Ca 0.29 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3kf7 h GLY 210 CO -0.16 0.18 0.16 0.00 0.00 0.00 0.00 176.54 176.72 3kf7 h ILE 212 N 0.88 1.29 -0.36 0.00 2.04 -0.33 -2.55 117.51 118.48 3kf7 h ILE 212 Ca 0.19 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 65.07 3kf7 h ILE 212 Cb 0.30 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 3kf7 h ILE 212 CO -0.00 0.26 0.08 -0.03 0.00 0.00 0.00 178.15 178.46 3kf7 h MET 213 N -0.49 0.20 -0.63 2.37 4.05 -0.49 -1.32 114.93 118.62 3kf7 h MET 213 Ca -0.00 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.49 3kf7 h MET 213 Cb 0.46 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.15 3kf7 h MET 213 CO 0.01 0.13 0.29 0.00 0.23 0.00 0.00 176.91 177.57 3kf7 h ALA 214 N 1.26 0.84 -0.50 0.39 0.00 -1.11 -1.35 119.26 118.80 3kf7 h ALA 214 Ca 0.17 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3kf7 h ALA 214 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kf7 h ALA 214 CO -0.22 -0.10 -0.01 1.49 0.00 0.00 0.00 179.25 180.41 3kf7 h GLU 215 N 0.52 0.83 -0.16 0.00 4.81 -0.99 -0.56 114.58 119.04 3kf7 h GLU 215 Ca 0.31 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 3kf7 h GLU 215 Cb 0.32 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3kf7 h GLU 215 CO -0.26 0.84 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.47 3kf7 h LEU 216 N 0.77 0.32 0.08 1.64 3.38 -0.62 -0.56 115.31 120.33 3kf7 h LEU 216 Ca 0.15 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 3kf7 h LEU 216 Cb 0.48 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kf7 h LEU 216 CO 0.02 0.64 -0.84 -0.07 0.09 0.00 0.00 178.44 178.29 3kf7 h LEU 217 N 0.27 0.60 0.01 1.67 3.38 -0.94 -2.63 115.31 117.68 3kf7 h LEU 217 Ca 0.03 -0.84 -0.34 0.00 0.09 0.00 0.00 57.88 56.82 3kf7 h LEU 217 Cb 0.72 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3kf7 h LEU 217 CO 0.05 1.38 -2.05 0.35 0.09 0.00 0.00 178.44 178.26 3kf7 n THR 218 N -4.08 1.54 -0.36 0.22 -2.24 -0.25 -4.75 114.28 104.37 3kf7 n THR 218 Ca -0.12 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3kf7 n THR 218 Cb 0.80 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3kf7 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kf7 n GLY 219 N 1.74 0.78 3.11 3.38 0.00 -0.22 -5.05 105.19 108.93 3kf7 n GLY 219 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 3kf7 n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kf7 s ARG 220 N -0.64 0.67 0.13 1.61 1.70 -1.25 -5.04 118.95 116.12 3kf7 s ARG 220 Ca 0.00 -1.03 -0.31 0.00 -0.47 0.00 0.00 55.73 53.92 3kf7 s ARG 220 Cb 0.00 -0.24 -0.10 0.00 -0.57 0.00 0.00 34.95 34.04 3kf7 s ARG 220 CO 0.00 0.02 1.82 0.99 -1.08 0.00 0.00 175.30 177.05 3kf7 s THR 221 N -2.45 2.48 0.08 4.99 2.01 -1.26 -4.13 115.64 117.37 3kf7 s THR 221 Ca 0.00 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 3kf7 s THR 221 Cb -0.03 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 3kf7 s THR 221 CO -0.02 0.00 1.55 0.25 -0.69 0.00 0.00 174.62 175.71 3kf7 h LEU 222 N 8.45 0.37 -6.48 4.42 5.85 -1.92 -3.38 115.31 122.62 3kf7 h LEU 222 Ca -0.46 -0.26 -0.60 0.00 0.84 0.00 0.00 57.88 57.41 3kf7 h LEU 222 Cb 1.22 -0.10 -0.40 0.00 0.37 0.00 0.00 40.66 41.75 3kf7 h LEU 222 CO 0.95 0.53 -0.81 0.49 -0.34 0.00 0.00 178.44 179.27 3kf7 n PHE 223 N -4.71 1.31 -1.84 1.25 3.01 -1.26 -5.01 117.46 110.21 3kf7 n PHE 223 Ca -0.04 -3.82 -0.42 0.00 1.01 0.00 0.00 57.45 54.18 3kf7 n PHE 223 Cb 0.20 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 3kf7 n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3kf7 n PRO 224 N 1.92 2.92 -2.83 -1.08 -0.04 -1.26 -4.55 135.00 130.08 3kf7 n PRO 224 Ca 0.25 -2.71 -0.34 0.00 -0.04 0.00 0.00 63.50 60.66 3kf7 n PRO 224 Cb 0.44 -3.29 -0.07 0.00 -0.04 0.00 0.00 33.50 30.54 3kf7 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3kf7 s GLY 225 N 3.15 2.48 0.00 0.55 0.00 -1.26 -4.98 107.32 107.26 3kf7 s GLY 225 Ca 0.47 0.41 0.21 0.00 0.00 0.00 0.00 44.72 45.80 3kf7 s GLY 225 CO -0.07 0.72 1.44 -1.30 0.00 0.00 0.00 173.10 173.89 3kf7 n THR 226 N -0.34 0.50 0.00 0.90 -2.24 -1.26 -4.86 114.28 106.97 3kf7 n THR 226 Ca 0.06 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3kf7 n THR 226 Cb 0.53 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3kf7 n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kf7 n ASP 227 N 1.05 0.00 -0.07 3.42 3.85 -1.26 -5.00 116.55 118.54 3kf7 n ASP 227 Ca 0.18 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 54.27 3kf7 n ASP 227 Cb 0.49 0.00 0.31 0.00 -1.35 0.00 0.00 41.12 40.56 3kf7 n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3kf7 h HIS 228 N 0.00 0.67 0.08 2.11 3.86 -1.94 -0.89 115.15 119.05 3kf7 h HIS 228 Ca 0.00 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3kf7 h HIS 228 Cb 0.00 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.26 3kf7 h HIS 228 CO 0.00 0.51 -0.04 0.82 0.86 0.00 0.00 177.93 180.08 3kf7 h ILE 229 N 0.68 1.07 -0.90 2.45 1.08 -1.96 -2.58 117.51 117.35 3kf7 h ILE 229 Ca 0.17 -1.44 0.18 0.00 -0.39 0.00 0.00 64.86 63.38 3kf7 h ILE 229 Cb 0.10 1.88 -0.07 0.00 -3.07 0.00 0.00 36.82 35.66 3kf7 h ILE 229 CO -0.02 0.31 0.59 -0.78 -0.69 0.00 0.00 178.15 177.56 3kf7 h ASP 230 N -0.87 0.53 0.08 1.72 3.58 -1.94 -1.38 116.42 118.14 3kf7 h ASP 230 Ca -0.01 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 3kf7 h ASP 230 Cb 0.59 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.59 3kf7 h ASP 230 CO 0.02 0.23 -0.04 -0.61 -2.88 0.00 0.00 179.24 175.96 3kf7 h GLN 231 N 0.54 -0.10 -0.84 0.28 5.75 -1.16 -0.31 115.11 119.27 3kf7 h GLN 231 Ca 0.47 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 59.08 3kf7 h GLN 231 Cb 0.98 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.48 3kf7 h GLN 231 CO -0.21 0.09 0.49 1.25 -2.65 0.00 0.00 178.83 177.79 3kf7 h LEU 232 N -0.27 0.69 -0.36 -2.39 6.46 -1.07 -0.78 115.31 117.58 3kf7 h LEU 232 Ca -0.01 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3kf7 h LEU 232 Cb 0.23 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3kf7 h LEU 232 CO 0.02 0.39 0.14 0.11 -0.62 0.00 0.00 178.44 178.48 3kf7 h LYS 233 N 0.81 0.54 -0.68 1.25 1.57 -0.90 -1.13 116.57 118.03 3kf7 h LYS 233 Ca 0.41 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3kf7 h LYS 233 Cb 0.39 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3kf7 h LYS 233 CO -0.25 0.53 0.33 -0.07 -0.57 0.00 0.00 179.45 179.41 3kf7 h LEU 234 N 0.43 0.88 -0.06 2.94 3.38 -0.73 -2.13 115.31 120.03 3kf7 h LEU 234 Ca 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kf7 h LEU 234 Cb 0.19 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kf7 h LEU 234 CO -0.01 0.77 0.04 0.40 0.09 0.00 0.00 178.44 179.72 3kf7 h ILE 235 N 0.94 1.02 0.00 1.22 2.04 -0.87 -2.99 117.51 118.87 3kf7 h ILE 235 Ca 0.23 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.98 3kf7 h ILE 235 Cb 0.12 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3kf7 h ILE 235 CO -0.03 0.02 -0.29 -0.07 0.00 0.00 0.00 178.15 177.78 3kf7 h LEU 236 N 0.07 0.00 -1.47 1.44 4.07 -1.09 -1.29 115.31 117.04 3kf7 h LEU 236 Ca 0.02 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.00 3kf7 h LEU 236 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 3kf7 h LEU 236 CO -0.00 0.29 0.38 0.08 -1.08 0.00 0.00 178.44 178.10 3kf7 h ARG 237 N 0.00 0.69 0.00 1.13 -0.00 -1.23 0.16 114.38 115.13 3kf7 h ARG 237 Ca -0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.98 59.88 3kf7 h ARG 237 Cb 0.55 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 30.35 3kf7 h ARG 237 CO 0.04 0.46 -0.30 1.25 -0.00 0.00 0.00 179.97 181.41 3kf7 h LEU 238 N 0.71 0.00 -0.25 0.08 5.85 -1.36 -3.40 115.31 116.94 3kf7 h LEU 238 Ca 0.22 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3kf7 h LEU 238 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3kf7 h LEU 238 CO -0.05 1.04 -0.54 1.33 -0.34 0.00 0.00 178.44 179.87 3kf7 n VAL 239 N -4.59 0.00 0.00 1.05 0.24 -0.56 -1.34 118.33 113.13 3kf7 n VAL 239 Ca -0.14 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3kf7 n VAL 239 Cb 0.46 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 3kf7 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kf7 n GLY 240 N 1.45 -1.27 3.84 7.63 0.00 0.55 -4.14 105.19 113.24 3kf7 n GLY 240 Ca 0.07 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 3kf7 n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kf7 s THR 241 N -2.62 4.53 -0.06 2.61 -4.23 -0.13 -4.65 115.64 111.09 3kf7 s THR 241 Ca 0.00 1.22 -0.40 0.00 -1.18 0.00 0.00 61.69 61.33 3kf7 s THR 241 Cb 0.00 -3.62 -0.18 0.00 1.34 0.00 0.00 72.50 70.04 3kf7 s THR 241 CO 0.00 -0.31 1.30 -2.65 -0.54 0.00 0.00 174.62 172.43 3kf7 n PRO 242 N -0.64 0.55 -2.07 3.99 -0.02 -1.26 -4.88 135.00 130.66 3kf7 n PRO 242 Ca 0.05 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.45 3kf7 n PRO 242 Cb 0.54 -1.77 0.18 0.00 -0.02 0.00 0.00 33.50 32.42 3kf7 n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3kf7 s GLY 243 N 0.91 1.79 0.15 -1.23 0.00 -1.26 -4.81 107.32 102.87 3kf7 s GLY 243 Ca 0.91 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.03 3kf7 s GLY 243 CO 0.57 -0.61 1.60 0.00 0.00 0.00 0.00 173.10 174.66 3kf7 h ALA 244 N -1.44 -0.28 -0.49 3.20 0.00 -2.00 -2.03 119.26 116.22 3kf7 h ALA 244 Ca -0.42 0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.65 3kf7 h ALA 244 Cb 1.24 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 3kf7 h ALA 244 CO 0.37 -0.77 -0.14 1.49 0.00 0.00 0.00 179.25 180.20 3kf7 h GLU 245 N -0.31 -0.02 -0.22 0.00 4.81 -2.00 -2.43 114.58 114.40 3kf7 h GLU 245 Ca 0.14 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 3kf7 h GLU 245 Cb 0.55 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3kf7 h GLU 245 CO -0.47 -0.01 -0.34 1.25 -0.73 0.00 0.00 179.01 178.70 3kf7 h LEU 246 N -0.02 0.68 -1.44 1.64 5.85 -1.87 -3.19 115.31 116.95 3kf7 h LEU 246 Ca 0.24 -0.52 0.10 0.00 0.84 0.00 0.00 57.88 58.54 3kf7 h LEU 246 Cb 0.38 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3kf7 h LEU 246 CO -0.52 1.07 0.49 -0.07 -0.34 0.00 0.00 178.44 179.07 3kf7 h LEU 247 N 0.31 0.56 -0.61 2.25 3.38 -0.91 0.13 115.31 120.42 3kf7 h LEU 247 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kf7 h LEU 247 Cb 0.93 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3kf7 h LEU 247 CO 0.08 0.33 0.00 0.29 0.09 0.00 0.00 178.44 179.23 3kf7 n LYS 248 N -4.50 0.13 -0.19 1.13 4.01 -0.99 -2.38 118.16 115.38 3kf7 n LYS 248 Ca 0.13 0.42 0.11 0.00 -0.51 0.00 0.00 58.31 58.46 3kf7 n LYS 248 Cb 0.36 -1.78 0.25 0.00 -0.51 0.00 0.00 35.03 33.35 3kf7 n LYS 248 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3kf7 n LYS 249 N -2.04 2.37 -3.66 1.97 5.02 0.03 -4.90 118.16 116.96 3kf7 n LYS 249 Ca 0.02 -2.08 -0.38 0.00 -2.02 0.00 0.00 58.31 53.85 3kf7 n LYS 249 Cb 0.18 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 3kf7 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kf7 s ILE 250 N -1.51 4.81 -0.10 -0.18 1.01 -1.00 -4.98 121.20 119.24 3kf7 s ILE 250 Ca 0.38 -0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.68 3kf7 s ILE 250 Cb 0.22 -3.31 -0.24 0.00 0.01 0.00 0.00 42.46 39.14 3kf7 s ILE 250 CO 0.30 0.24 0.92 -1.28 0.00 0.00 0.00 174.94 175.13 3kf7 h SER 251 N 8.32 0.01 -1.81 3.58 0.87 -1.90 -3.46 113.55 119.16 3kf7 h SER 251 Ca -0.36 -0.85 -0.63 0.00 -1.23 0.00 0.00 61.79 58.73 3kf7 h SER 251 Cb 1.18 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.14 3kf7 h SER 251 CO 0.58 0.86 1.23 -0.24 -0.53 0.00 0.00 176.83 178.72 3kf7 n SER 252 N -4.67 3.12 0.16 6.23 2.88 -1.26 -4.90 113.62 115.18 3kf7 n SER 252 Ca -0.10 0.74 -0.14 0.00 -1.33 0.00 0.00 58.87 58.04 3kf7 n SER 252 Cb 0.42 -1.37 -0.07 0.00 -0.75 0.00 0.00 64.21 62.43 3kf7 n SER 252 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3kf7 h GLU 253 N 10.77 -0.34 -0.82 -1.46 4.81 -1.99 -1.07 114.58 124.48 3kf7 h GLU 253 Ca -0.43 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 58.95 3kf7 h GLU 253 Cb 1.28 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.65 3kf7 h GLU 253 CO 0.97 -0.23 0.43 0.66 -0.73 0.00 0.00 179.01 180.10 3kf7 h SER 254 N -0.35 0.54 0.36 1.04 4.64 -1.98 0.72 113.55 118.51 3kf7 h SER 254 Ca -0.02 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3kf7 h SER 254 Cb 0.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3kf7 h SER 254 CO 0.03 0.26 -0.17 0.00 -0.87 0.00 0.00 176.83 176.08 3kf7 h ALA 255 N 1.51 -0.48 -0.44 5.18 0.00 -1.87 -0.41 119.26 122.75 3kf7 h ALA 255 Ca 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kf7 h ALA 255 Cb 0.54 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3kf7 h ALA 255 CO -0.32 -0.69 0.25 0.00 0.00 0.00 0.00 179.25 178.49 3kf7 h ARG 256 N -0.64 0.61 -0.23 0.00 3.08 -0.83 -1.46 114.38 114.91 3kf7 h ARG 256 Ca -0.05 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kf7 h ARG 256 Cb 0.46 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3kf7 h ARG 256 CO 0.08 0.47 0.15 -0.91 -1.07 0.00 0.00 179.97 178.69 3kf7 h ASN 257 N 0.58 0.26 0.17 7.04 -0.26 0.44 0.25 115.58 124.06 3kf7 h ASN 257 Ca 0.16 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3kf7 h ASN 257 Cb 0.03 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 3kf7 h ASN 257 CO -0.03 0.20 -0.14 0.22 -1.06 0.00 0.00 177.43 176.62 3kf7 h TYR 258 N 0.30 -0.39 -0.83 1.19 3.20 -0.98 0.12 116.97 119.58 3kf7 h TYR 258 Ca 0.08 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.12 3kf7 h TYR 258 Cb -0.03 0.15 -0.16 0.00 1.54 0.00 0.00 36.73 38.24 3kf7 h TYR 258 CO -0.06 -0.20 -0.23 0.82 -1.64 0.00 0.00 178.16 176.85 3kf7 h ILE 259 N -0.30 0.15 0.00 1.81 2.04 -1.23 0.29 117.51 120.27 3kf7 h ILE 259 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3kf7 h ILE 259 Cb 0.26 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3kf7 h ILE 259 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3kf7 n GLN 260 N -5.53 0.09 0.01 2.37 6.02 0.07 -2.06 117.38 118.35 3kf7 n GLN 260 Ca 0.12 0.19 0.13 0.00 -0.01 0.00 0.00 57.00 57.43 3kf7 n GLN 260 Cb 0.42 -1.63 0.43 0.00 1.02 0.00 0.00 30.24 30.48 3kf7 n GLN 260 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3kf7 n SER 261 N -1.79 0.30 -4.86 1.08 7.64 0.98 -4.88 113.62 112.09 3kf7 n SER 261 Ca 0.05 0.18 -0.31 0.00 1.01 0.00 0.00 58.87 59.80 3kf7 n SER 261 Cb 0.29 -0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 3kf7 n SER 261 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kf7 s LEU 262 N -3.19 3.59 0.15 -3.43 1.43 -0.87 -5.02 118.68 111.34 3kf7 s LEU 262 Ca 0.12 1.39 -0.31 0.00 -1.03 0.00 0.00 54.13 54.30 3kf7 s LEU 262 Cb 0.18 -4.34 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 3kf7 s LEU 262 CO 0.62 -0.60 1.39 -0.89 0.23 0.00 0.00 176.35 177.09 3kf7 s THR 263 N -2.68 3.18 0.21 5.49 2.01 -1.26 -4.92 115.64 117.66 3kf7 s THR 263 Ca 0.55 0.89 -0.32 0.00 0.31 0.00 0.00 61.69 63.12 3kf7 s THR 263 Cb -0.10 -3.57 -0.12 0.00 0.01 0.00 0.00 72.50 68.73 3kf7 s THR 263 CO 0.37 0.09 1.68 0.00 -0.69 0.00 0.00 174.62 176.07 3kf7 s GLN 264 N 0.69 4.14 -0.06 4.92 1.03 -1.26 -4.94 119.66 124.18 3kf7 s GLN 264 Ca 0.63 2.56 0.04 0.00 0.04 0.00 0.00 55.36 58.63 3kf7 s GLN 264 Cb -0.38 -3.08 -0.00 0.00 0.03 0.00 0.00 33.01 29.58 3kf7 s GLN 264 CO 0.33 -0.71 -0.19 -1.64 -2.54 0.00 0.00 175.29 170.54 3kf7 s MET 265 N 0.91 2.07 0.57 9.60 -1.94 -1.26 -4.99 119.30 124.26 3kf7 s MET 265 Ca 0.72 -0.67 -0.15 0.00 -1.71 0.00 0.00 55.69 53.88 3kf7 s MET 265 Cb -0.48 -1.73 -0.05 0.00 2.01 0.00 0.00 34.83 34.57 3kf7 s MET 265 CO 0.34 0.23 1.02 -1.25 -0.01 0.00 0.00 175.02 175.35 3kf7 s PRO 266 N 0.12 3.63 0.11 2.03 0.04 -1.26 -0.96 135.00 138.71 3kf7 s PRO 266 Ca -0.07 1.01 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 3kf7 s PRO 266 Cb -0.13 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3kf7 s PRO 266 CO 0.04 -0.54 1.68 0.21 0.04 0.00 0.00 177.00 178.42 3kf7 s LYS 267 N -4.28 4.18 0.66 4.56 2.20 -1.26 -3.67 119.74 122.13 3kf7 s LYS 267 Ca 0.60 2.41 -0.12 0.00 -0.36 0.00 0.00 55.97 58.50 3kf7 s LYS 267 Cb -0.12 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 3kf7 s LYS 267 CO 0.38 -0.73 1.05 -1.64 -0.36 0.00 0.00 175.35 174.05 3kf7 s MET 268 N 2.23 3.12 -0.40 4.03 -1.94 -0.45 -4.91 119.30 120.97 3kf7 s MET 268 Ca 0.75 1.00 -0.29 0.00 -1.71 0.00 0.00 55.69 55.44 3kf7 s MET 268 Cb -0.43 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.41 3kf7 s MET 268 CO 0.33 -0.95 1.38 1.21 -0.01 0.00 0.00 175.02 176.97 3kf7 s ASN 269 N -3.53 6.40 0.29 3.03 3.84 -1.26 -4.92 114.94 118.79 3kf7 s ASN 269 Ca 0.59 0.84 -0.01 0.00 0.21 0.00 0.00 52.86 54.49 3kf7 s ASN 269 Cb -0.14 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.45 3kf7 s ASN 269 CO 0.49 -1.38 1.88 -0.26 -2.79 0.00 0.00 177.10 175.04 3kf7 h PHE 270 N 10.43 0.91 -0.49 0.43 -1.00 -1.95 -0.81 116.94 124.46 3kf7 h PHE 270 Ca -0.27 -0.04 0.11 0.00 2.81 0.00 0.00 57.97 60.58 3kf7 h PHE 270 Cb 1.10 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 40.35 3kf7 h PHE 270 CO 0.96 0.68 0.34 0.00 -1.61 0.00 0.00 178.31 178.68 3kf7 h ALA 271 N 1.40 2.21 0.18 2.45 0.00 -1.91 0.37 119.26 123.96 3kf7 h ALA 271 Ca 0.22 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 3kf7 h ALA 271 Cb 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kf7 h ALA 271 CO -0.02 -0.34 -1.17 -0.91 0.00 0.00 0.00 179.25 176.81 3kf7 h ASN 272 N 0.19 0.58 -0.11 0.00 2.35 -1.52 -2.95 115.58 114.12 3kf7 h ASN 272 Ca 0.23 -0.93 -0.12 0.00 -0.55 0.00 0.00 56.30 54.93 3kf7 h ASN 272 Cb 0.66 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3kf7 h ASN 272 CO -0.04 1.55 -0.32 0.58 -1.65 0.00 0.00 177.43 177.56 3kf7 h VAL 273 N -0.17 1.28 -0.69 2.81 2.07 -0.95 -2.97 116.25 117.63 3kf7 h VAL 273 Ca -0.22 -1.43 -0.38 0.00 0.82 0.00 0.00 66.70 65.50 3kf7 h VAL 273 Cb 1.85 1.41 -0.22 0.00 -1.52 0.00 0.00 31.29 32.81 3kf7 h VAL 273 CO 0.18 0.46 0.26 0.49 0.02 0.00 0.00 177.57 178.97 3kf7 n PHE 274 N -4.07 2.15 0.00 1.57 3.72 0.09 -5.00 117.46 115.92 3kf7 n PHE 274 Ca -0.01 -1.87 0.00 0.00 -0.05 0.00 0.00 57.45 55.52 3kf7 n PHE 274 Cb 0.46 -0.76 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 3kf7 n PHE 274 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3kf7 n ILE 275 N -1.10 0.00 -0.20 4.37 -6.64 -1.11 -1.83 119.36 112.85 3kf7 n ILE 275 Ca 0.47 0.00 -0.09 0.00 -1.77 0.00 0.00 62.75 61.36 3kf7 n ILE 275 Cb 1.25 0.00 0.13 0.00 -1.44 0.00 0.00 39.64 39.58 3kf7 n ILE 275 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3kf7 n GLY 276 N 0.00 3.13 3.81 3.28 0.00 -1.26 -4.85 105.19 109.30 3kf7 n GLY 276 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 3kf7 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kf7 s ALA 277 N -1.88 2.54 -0.13 4.61 0.00 -0.76 -4.95 121.76 121.19 3kf7 s ALA 277 Ca 0.31 0.04 -0.38 0.00 0.00 0.00 0.00 51.96 51.93 3kf7 s ALA 277 Cb 0.26 -3.17 -0.16 0.00 0.00 0.00 0.00 23.12 20.05 3kf7 s ALA 277 CO 0.07 -1.39 1.61 -1.71 0.00 0.00 0.00 175.76 174.34 3kf7 n ASN 278 N -3.24 2.22 0.31 0.00 2.85 -1.26 -4.83 115.26 111.32 3kf7 n ASN 278 Ca 0.08 1.08 0.19 0.00 -0.11 0.00 0.00 54.58 55.82 3kf7 n ASN 278 Cb 0.54 -1.18 1.03 0.00 1.24 0.00 0.00 39.78 41.41 3kf7 n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kf7 h PRO 279 N 6.39 0.00 -0.43 1.20 0.11 -1.92 -0.14 132.00 137.21 3kf7 h PRO 279 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3kf7 h PRO 279 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3kf7 h PRO 279 CO 0.90 0.02 -0.11 -0.07 -0.21 0.00 0.00 178.00 178.52 3kf7 h LEU 280 N 0.00 0.77 -0.47 2.35 4.07 -1.99 -1.58 115.31 118.46 3kf7 h LEU 280 Ca -0.00 -0.23 -0.10 0.00 0.08 0.00 0.00 57.88 57.63 3kf7 h LEU 280 Cb 0.09 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 3kf7 h LEU 280 CO 0.00 0.91 -0.10 0.00 -1.08 0.00 0.00 178.44 178.18 3kf7 h ALA 281 N 1.16 0.64 -0.85 1.53 0.00 -1.41 -1.26 119.26 119.08 3kf7 h ALA 281 Ca 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kf7 h ALA 281 Cb 0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3kf7 h ALA 281 CO 0.04 0.53 0.41 0.28 0.00 0.00 0.00 179.25 180.51 3kf7 h VAL 282 N 0.74 1.26 -0.40 0.00 2.07 -1.19 0.58 116.25 119.31 3kf7 h VAL 282 Ca 0.12 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3kf7 h VAL 282 Cb 0.64 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3kf7 h VAL 282 CO 0.04 0.31 0.07 -0.78 0.02 0.00 0.00 177.57 177.23 3kf7 h ASP 283 N 1.22 0.63 -0.34 0.57 3.58 -1.12 -1.29 116.42 119.66 3kf7 h ASP 283 Ca 0.29 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3kf7 h ASP 283 Cb 0.12 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3kf7 h ASP 283 CO -0.04 0.73 0.21 0.25 -2.88 0.00 0.00 179.24 177.51 3kf7 h LEU 284 N 0.51 0.40 -0.92 2.28 5.85 -1.00 -2.72 115.31 119.70 3kf7 h LEU 284 Ca 0.12 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3kf7 h LEU 284 Cb 0.36 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3kf7 h LEU 284 CO 0.01 0.32 0.58 -0.07 -0.34 0.00 0.00 178.44 178.93 3kf7 h LEU 285 N 0.45 0.89 -1.22 2.25 4.07 -0.62 -1.47 115.31 119.66 3kf7 h LEU 285 Ca 0.12 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3kf7 h LEU 285 Cb -0.02 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.57 3kf7 h LEU 285 CO -0.02 0.54 0.00 1.05 -1.08 0.00 0.00 178.44 178.93 3kf7 h GLU 286 N 1.01 0.00 0.00 1.13 4.11 -1.06 -1.27 114.58 118.49 3kf7 h GLU 286 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 3kf7 h GLU 286 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3kf7 h GLU 286 CO -0.20 0.00 -0.79 0.87 0.07 0.00 0.00 179.01 178.96 3kf7 h LYS 287 N 0.00 0.00 0.09 1.06 1.57 -0.99 -3.37 116.57 114.93 3kf7 h LYS 287 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 3kf7 h LYS 287 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3kf7 h LYS 287 CO 0.00 0.00 -1.82 0.52 -0.57 0.00 0.00 179.45 177.58 3kf7 h MET 288 N 0.00 0.20 -1.97 3.15 2.86 -1.03 -2.09 114.93 116.04 3kf7 h MET 288 Ca 0.00 -0.34 -0.76 0.00 -2.06 0.00 0.00 59.70 56.55 3kf7 h MET 288 Cb 0.93 0.13 -0.28 0.00 0.06 0.00 0.00 31.60 32.43 3kf7 h MET 288 CO 0.00 1.01 0.92 1.28 1.06 0.00 0.00 176.91 181.18 3kf7 n LEU 289 N -3.36 7.30 -4.78 1.22 4.77 -0.51 -4.23 117.00 117.42 3kf7 n LEU 289 Ca -0.25 -4.89 -0.37 0.00 -0.03 0.00 0.00 56.01 50.47 3kf7 n LEU 289 Cb 1.05 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3kf7 n LEU 289 CO 0.45 1.81 0.02 -0.69 -1.33 0.00 0.00 177.39 177.65 3kf7 s VAL 290 N -5.09 5.24 0.13 4.08 1.01 -1.26 -4.90 120.40 119.60 3kf7 s VAL 290 Ca 0.51 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 62.97 3kf7 s VAL 290 Cb 0.43 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 3kf7 s VAL 290 CO -0.39 0.46 1.64 0.25 0.00 0.00 0.00 175.10 177.06 3kf7 h LEU 291 N 5.93 0.56 -8.67 3.92 5.85 -1.91 -3.40 115.31 117.59 3kf7 h LEU 291 Ca -0.46 -0.21 -0.55 0.00 0.84 0.00 0.00 57.88 57.50 3kf7 h LEU 291 Cb 1.19 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 3kf7 h LEU 291 CO 0.70 0.62 1.08 -0.62 -0.34 0.00 0.00 178.44 179.88 3kf7 s ASP 292 N -5.92 6.23 0.53 1.25 -1.08 -1.26 -4.85 116.67 111.56 3kf7 s ASP 292 Ca -0.13 0.48 0.35 0.00 -0.52 0.00 0.00 52.55 52.73 3kf7 s ASP 292 Cb 0.10 -2.54 1.73 0.00 -1.46 0.00 0.00 42.92 40.74 3kf7 s ASP 292 CO 0.76 -1.59 2.06 0.77 0.52 0.00 0.00 175.17 177.69 3kf7 h SER 293 N 10.85 0.00 1.04 -0.34 4.64 -1.97 0.13 113.55 127.89 3kf7 h SER 293 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3kf7 h SER 293 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3kf7 h SER 293 CO 1.14 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 177.54 3kf7 h ASP 294 N 0.00 0.00 -0.00 4.97 3.32 -1.95 -3.17 116.42 119.58 3kf7 h ASP 294 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kf7 h ASP 294 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3kf7 h ASP 294 CO 0.00 0.00 -0.62 0.29 -1.72 0.00 0.00 179.24 177.19 3kf7 n LYS 295 N -2.83 2.16 -2.13 3.56 4.76 0.02 -5.00 118.16 118.69 3kf7 n LYS 295 Ca 0.01 -0.13 -0.40 0.00 -2.87 0.00 0.00 58.31 54.92 3kf7 n LYS 295 Cb 0.31 -1.19 -0.02 0.00 -1.84 0.00 0.00 35.03 32.29 3kf7 n LYS 295 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3kf7 s ARG 296 N -2.27 4.26 0.49 1.97 3.52 -1.12 -4.98 118.95 120.83 3kf7 s ARG 296 Ca 0.07 2.15 -0.23 0.00 -0.13 0.00 0.00 55.73 57.58 3kf7 s ARG 296 Cb 0.11 -2.98 -0.06 0.00 -1.56 0.00 0.00 34.95 30.46 3kf7 s ARG 296 CO 0.56 -0.24 1.33 -1.50 -0.81 0.00 0.00 175.30 174.64 3kf7 s ILE 297 N -1.19 2.32 0.63 4.11 2.07 -0.79 -5.01 121.20 123.34 3kf7 s ILE 297 Ca 0.51 0.26 -0.03 0.00 -1.41 0.00 0.00 60.65 59.97 3kf7 s ILE 297 Cb -0.38 -3.14 0.04 0.00 0.13 0.00 0.00 42.46 39.12 3kf7 s ILE 297 CO 0.50 0.01 0.90 0.42 -1.91 0.00 0.00 174.94 174.86 3kf7 s THR 298 N -1.32 2.57 0.11 4.00 -4.23 -1.26 -4.88 115.64 110.63 3kf7 s THR 298 Ca 0.66 -0.42 -0.20 0.00 -1.18 0.00 0.00 61.69 60.55 3kf7 s THR 298 Cb -0.39 -3.04 -0.07 0.00 1.34 0.00 0.00 72.50 70.34 3kf7 s THR 298 CO 0.48 -0.04 1.70 0.00 -0.54 0.00 0.00 174.62 176.21 3kf7 h ALA 299 N -0.27 0.27 -0.33 3.99 0.00 -1.94 0.26 119.26 121.24 3kf7 h ALA 299 Ca -0.44 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.46 3kf7 h ALA 299 Cb 1.30 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3kf7 h ALA 299 CO 0.57 -0.19 0.04 0.00 0.00 0.00 0.00 179.25 179.67 3kf7 h ALA 300 N 0.99 0.34 -0.64 0.00 0.00 -1.94 -0.97 119.26 117.03 3kf7 h ALA 300 Ca 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kf7 h ALA 300 Cb 0.08 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3kf7 h ALA 300 CO -0.01 -0.36 0.28 1.96 0.00 0.00 0.00 179.25 181.12 3kf7 h GLN 301 N 0.15 0.93 -0.39 0.00 4.20 -1.92 -2.83 115.11 115.26 3kf7 h GLN 301 Ca 0.16 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3kf7 h GLN 301 Cb 0.19 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3kf7 h GLN 301 CO -0.23 0.77 0.22 0.00 -0.67 0.00 0.00 178.83 178.92 3kf7 h ALA 302 N 1.12 1.65 -0.38 3.87 0.00 -0.59 -2.74 119.26 122.20 3kf7 h ALA 302 Ca 0.22 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3kf7 h ALA 302 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kf7 h ALA 302 CO -0.02 0.30 -0.11 -0.07 0.00 0.00 0.00 179.25 179.34 3kf7 h LEU 303 N 0.53 0.65 0.00 0.00 3.38 -0.94 -2.16 115.31 116.78 3kf7 h LEU 303 Ca 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kf7 h LEU 303 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3kf7 h LEU 303 CO -0.02 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.30 3kf7 n ALA 304 N -2.48 2.42 -1.78 1.53 0.00 -1.04 -4.74 120.51 114.42 3kf7 n ALA 304 Ca 0.01 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 3kf7 n ALA 304 Cb 0.35 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 3kf7 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kf7 s HIS 305 N -2.22 2.98 0.57 0.00 5.04 -0.81 -4.91 115.29 115.94 3kf7 s HIS 305 Ca 0.34 1.57 0.28 0.00 -1.54 0.00 0.00 55.06 55.71 3kf7 s HIS 305 Cb 0.18 -3.28 1.49 0.00 0.04 0.00 0.00 32.58 31.01 3kf7 s HIS 305 CO 0.34 -1.22 1.99 0.00 -2.34 0.00 0.00 174.74 173.51 3kf7 h ALA 306 N 2.09 2.22 -0.64 1.58 0.00 -1.90 -1.81 119.26 120.80 3kf7 h ALA 306 Ca -0.49 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.52 3kf7 h ALA 306 Cb 1.24 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 3kf7 h ALA 306 CO 0.60 -0.60 0.43 -0.92 0.00 0.00 0.00 179.25 178.77 3kf7 h TYR 307 N 0.00 0.41 -0.59 0.00 3.20 -1.91 -1.89 116.97 116.19 3kf7 h TYR 307 Ca 0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3kf7 h TYR 307 Cb 0.96 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 3kf7 h TYR 307 CO 0.00 0.18 0.05 1.19 -1.64 0.00 0.00 178.16 177.94 3kf7 n PHE 308 N -4.46 2.10 -0.21 -3.82 3.01 -0.68 -4.65 117.46 108.75 3kf7 n PHE 308 Ca 0.11 -0.83 0.22 0.00 1.01 0.00 0.00 57.45 57.96 3kf7 n PHE 308 Cb 0.45 -0.54 0.59 0.00 -0.01 0.00 0.00 39.48 39.97 3kf7 n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kf7 h ALA 309 N 3.64 2.42 0.00 4.37 0.00 -1.48 0.29 119.26 128.49 3kf7 h ALA 309 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kf7 h ALA 309 Cb 2.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3kf7 h ALA 309 CO 0.53 -0.69 -0.02 0.00 0.00 0.00 0.00 179.25 179.07 3kf7 n GLN 310 N -4.43 0.12 -0.04 0.00 10.64 -1.26 -4.03 117.38 118.39 3kf7 n GLN 310 Ca 0.18 0.10 -0.04 0.00 -1.83 0.00 0.00 57.00 55.41 3kf7 n GLN 310 Cb 0.78 -1.64 -0.05 0.00 -0.86 0.00 0.00 30.24 28.47 3kf7 n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kf7 n TYR 311 N -1.85 0.00 -1.76 2.61 4.02 0.25 -5.05 117.16 115.38 3kf7 n TYR 311 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 3kf7 n TYR 311 Cb 0.38 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 3kf7 n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3kf7 s HIS 312 N -2.16 2.60 -0.26 -0.72 2.46 0.75 -4.98 115.29 112.97 3kf7 s HIS 312 Ca -0.07 0.23 -0.02 0.00 0.47 0.00 0.00 55.06 55.68 3kf7 s HIS 312 Cb 0.02 -4.12 0.11 0.00 -0.13 0.00 0.00 32.58 28.47 3kf7 s HIS 312 CO 0.24 -4.39 0.23 0.34 -2.47 0.00 0.00 174.74 168.68 3kf7 s ASP 313 N 1.85 2.09 0.31 9.88 -1.08 -1.26 -4.97 116.67 123.49 3kf7 s ASP 313 Ca 0.77 -0.75 0.23 0.00 -0.52 0.00 0.00 52.55 52.27 3kf7 s ASP 313 Cb -0.47 0.24 1.15 0.00 -1.46 0.00 0.00 42.92 42.38 3kf7 s ASP 313 CO 0.34 -0.39 1.70 -0.81 0.52 0.00 0.00 175.17 176.53 3kf7 n PRO 314 N 5.30 0.17 0.00 4.34 -0.04 -1.26 -0.72 135.00 142.78 3kf7 n PRO 314 Ca -0.04 0.57 0.14 0.00 -0.04 0.00 0.00 63.50 64.13 3kf7 n PRO 314 Cb 0.46 -1.95 0.52 0.00 -0.04 0.00 0.00 33.50 32.49 3kf7 n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kf7 n ASP 315 N -2.29 1.21 -2.36 3.54 8.00 -1.26 -4.08 116.55 119.32 3kf7 n ASP 315 Ca -0.00 -1.25 -0.10 0.00 0.71 0.00 0.00 54.79 54.14 3kf7 n ASP 315 Cb 0.10 0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.27 3kf7 n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kf7 n ASP 316 N -0.18 3.01 -3.31 -2.24 4.64 0.10 -4.88 116.55 113.69 3kf7 n ASP 316 Ca 0.17 -2.83 -0.25 0.00 -1.38 0.00 0.00 54.79 50.50 3kf7 n ASP 316 Cb 0.33 -0.41 -0.08 0.00 -1.04 0.00 0.00 41.12 39.92 3kf7 n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3kf7 n GLU 317 N -0.62 0.88 -1.79 -0.67 1.02 -1.23 -4.91 120.64 113.32 3kf7 n GLU 317 Ca 0.23 -3.46 -0.29 0.00 -0.02 0.00 0.00 57.16 53.62 3kf7 n GLU 317 Cb 0.88 -1.51 0.10 0.00 -0.02 0.00 0.00 31.44 30.89 3kf7 n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3kf7 s PRO 318 N -1.07 1.78 0.34 3.49 0.04 -1.26 -4.98 135.00 133.35 3kf7 s PRO 318 Ca 0.35 0.19 0.08 0.00 0.04 0.00 0.00 61.00 61.66 3kf7 s PRO 318 Cb 0.12 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 3kf7 s PRO 318 CO -0.12 -1.74 0.10 0.08 0.04 0.00 0.00 177.00 175.36 3kf7 s VAL 319 N -3.48 2.86 0.31 -0.36 1.01 -1.26 -4.13 120.40 115.34 3kf7 s VAL 319 Ca 0.62 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 3kf7 s VAL 319 Cb -0.12 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 3kf7 s VAL 319 CO 0.50 -0.18 0.61 0.00 0.00 0.00 0.00 175.10 176.03 3kf7 s ALA 320 N -2.46 3.54 0.76 5.51 0.00 -1.26 -5.03 121.76 122.82 3kf7 s ALA 320 Ca 0.37 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.77 3kf7 s ALA 320 Cb -0.01 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.72 3kf7 s ALA 320 CO 0.21 0.23 1.14 -0.25 0.00 0.00 0.00 175.76 177.10 3kf7 n ASP 321 N -0.87 1.02 -4.55 0.00 8.00 -1.26 -4.79 116.55 114.09 3kf7 n ASP 321 Ca -0.00 0.65 -0.55 0.00 0.71 0.00 0.00 54.79 55.59 3kf7 n ASP 321 Cb 0.54 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.08 3kf7 n ASP 321 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3kf7 n PRO 322 N -2.61 0.65 -3.92 -0.24 -0.02 -1.26 -4.78 135.00 122.82 3kf7 n PRO 322 Ca 0.14 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.50 3kf7 n PRO 322 Cb 0.50 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 32.02 3kf7 n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3kf7 s TYR 323 N 0.34 3.11 -0.66 6.00 5.04 -1.26 -5.07 117.35 124.84 3kf7 s TYR 323 Ca 0.88 -1.51 -0.27 0.00 -2.44 0.00 0.00 57.07 53.72 3kf7 s TYR 323 Cb -1.09 -2.10 0.02 0.00 0.35 0.00 0.00 41.96 39.13 3kf7 s TYR 323 CO 0.52 -0.72 1.40 0.34 -1.34 0.00 0.00 175.55 175.75 3kf7 s ASP 324 N 1.34 6.03 -0.24 4.32 2.15 -1.26 -4.84 116.67 124.17 3kf7 s ASP 324 Ca -0.00 -0.10 0.14 0.00 0.43 0.00 0.00 52.55 53.02 3kf7 s ASP 324 Cb -0.17 -2.55 0.75 0.00 -0.30 0.00 0.00 42.92 40.65 3kf7 s ASP 324 CO -0.03 -1.86 1.69 0.00 -0.17 0.00 0.00 175.17 174.80 3kf7 n GLN 325 N 9.09 4.29 0.27 4.34 6.02 -1.26 -4.64 117.38 135.49 3kf7 n GLN 325 Ca 0.09 -3.10 0.11 0.00 -0.01 0.00 0.00 57.00 54.09 3kf7 n GLN 325 Cb 0.50 -2.17 0.74 0.00 1.02 0.00 0.00 30.24 30.32 3kf7 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3kf7 h SER 326 N 3.31 0.00 -0.23 1.08 4.64 -2.05 -1.43 113.55 118.87 3kf7 h SER 326 Ca 0.04 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 3kf7 h SER 326 Cb 1.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 3kf7 h SER 326 CO 0.48 0.07 0.23 2.19 -0.87 0.00 0.00 176.83 178.93 3kf7 h PHE 327 N 0.00 0.00 -0.20 4.77 -5.15 -1.98 -2.93 116.94 111.46 3kf7 h PHE 327 Ca -0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 3kf7 h PHE 327 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 3kf7 h PHE 327 CO 0.00 0.00 0.13 0.93 -2.00 0.00 0.00 178.31 177.37 3kf7 h GLU 328 N 0.00 0.23 -0.00 6.09 4.39 -1.64 -2.20 114.58 121.45 3kf7 h GLU 328 Ca 0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3kf7 h GLU 328 Cb 0.58 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3kf7 h GLU 328 CO -0.00 0.15 -0.23 -1.13 -1.16 0.00 0.00 179.01 176.64 3kf7 n SER 329 N -4.51 0.34 -4.76 1.42 3.41 -1.11 -4.91 113.62 103.50 3kf7 n SER 329 Ca 0.00 -0.09 -0.39 0.00 -0.26 0.00 0.00 58.87 58.13 3kf7 n SER 329 Cb 0.10 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 3kf7 n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kf7 s ARG 330 N -2.86 4.28 -0.37 4.33 0.52 -0.83 -5.04 118.95 118.99 3kf7 s ARG 330 Ca 0.17 0.67 -0.10 0.00 -0.52 0.00 0.00 55.73 55.95 3kf7 s ARG 330 Cb 0.19 -3.34 0.03 0.00 0.52 0.00 0.00 34.95 32.34 3kf7 s ARG 330 CO 0.58 0.37 0.18 -0.51 0.02 0.00 0.00 175.30 175.95 3kf7 s ASP 331 N -0.18 5.64 0.30 0.23 -0.00 -1.26 -5.06 116.67 116.33 3kf7 s ASP 331 Ca 0.30 -1.01 0.05 0.00 -0.00 0.00 0.00 52.55 51.89 3kf7 s ASP 331 Cb -0.18 -1.99 -0.06 0.00 -0.00 0.00 0.00 42.92 40.69 3kf7 s ASP 331 CO 0.16 -0.37 0.01 -0.76 -0.00 0.00 0.00 175.17 174.21 3kf7 s LEU 332 N 1.52 2.32 0.51 1.23 1.02 -1.26 -5.15 118.68 118.87 3kf7 s LEU 332 Ca 0.01 -1.28 -0.10 0.00 0.02 0.00 0.00 54.13 52.78 3kf7 s LEU 332 Cb -0.19 -0.47 -0.05 0.00 0.02 0.00 0.00 46.19 45.50 3kf7 s LEU 332 CO 0.06 -0.49 0.89 -0.76 0.02 0.00 0.00 176.35 176.06 3kf7 s LEU 333 N -3.45 3.54 0.21 1.79 1.43 -1.26 -4.91 118.68 116.03 3kf7 s LEU 333 Ca 0.33 1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 54.54 3kf7 s LEU 333 Cb 0.07 -4.18 0.26 0.00 0.03 0.00 0.00 46.19 42.37 3kf7 s LEU 333 CO 0.13 -0.64 1.77 0.40 0.23 0.00 0.00 176.35 178.24 3kf7 h ILE 334 N 0.31 0.85 0.00 -0.59 2.04 -1.93 -0.25 117.51 117.94 3kf7 h ILE 334 Ca -0.46 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3kf7 h ILE 334 Cb 1.19 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3kf7 h ILE 334 CO 0.62 0.09 -0.12 0.44 0.00 0.00 0.00 178.15 179.19 3kf7 h ASP 335 N 0.51 0.00 0.03 1.72 3.45 -1.97 -0.45 116.42 119.72 3kf7 h ASP 335 Ca 0.30 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.76 3kf7 h ASP 335 Cb 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3kf7 h ASP 335 CO -0.25 0.12 -0.02 -0.33 -1.57 0.00 0.00 179.24 177.19 3kf7 h GLU 336 N 0.00 -0.04 -0.57 3.56 5.08 -1.45 -1.31 114.58 119.84 3kf7 h GLU 336 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3kf7 h GLU 336 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3kf7 h GLU 336 CO 0.02 0.45 0.38 -1.49 -1.00 0.00 0.00 179.01 177.37 3kf7 h TRP 337 N -0.56 0.55 -0.12 4.33 4.06 -1.09 -1.44 115.95 121.67 3kf7 h TRP 337 Ca -0.00 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 3kf7 h TRP 337 Cb 0.51 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3kf7 h TRP 337 CO 0.10 0.30 -0.08 -0.22 -3.56 0.00 0.00 178.44 174.98 3kf7 h LYS 338 N 0.55 0.27 -0.62 0.49 3.64 -1.04 -1.26 116.57 118.61 3kf7 h LYS 338 Ca 0.24 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3kf7 h LYS 338 Cb 0.26 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3kf7 h LYS 338 CO -0.07 0.63 0.21 1.03 -2.27 0.00 0.00 179.45 178.98 3kf7 h SER 339 N -0.09 0.89 -0.76 4.20 0.87 -1.02 -0.53 113.55 117.10 3kf7 h SER 339 Ca 0.03 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3kf7 h SER 339 Cb 0.56 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 3kf7 h SER 339 CO 0.02 0.85 0.48 -0.07 -0.53 0.00 0.00 176.83 177.58 3kf7 h LEU 340 N 0.88 0.90 -0.64 2.23 3.38 -1.23 -1.36 115.31 119.46 3kf7 h LEU 340 Ca 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3kf7 h LEU 340 Cb 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3kf7 h LEU 340 CO -0.01 0.68 0.24 0.74 0.09 0.00 0.00 178.44 180.18 3kf7 h THR 341 N 1.04 1.24 -0.52 0.22 2.02 -0.92 -2.20 112.91 113.79 3kf7 h THR 341 Ca 0.28 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.70 3kf7 h THR 341 Cb -0.08 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3kf7 h THR 341 CO -0.06 0.30 0.32 0.22 0.37 0.00 0.00 175.52 176.67 3kf7 h TYR 342 N 0.91 0.59 -0.74 3.16 3.20 -0.52 -0.91 116.97 122.67 3kf7 h TYR 342 Ca 0.21 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3kf7 h TYR 342 Cb 0.23 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3kf7 h TYR 342 CO 0.02 0.34 0.38 -0.44 -1.64 0.00 0.00 178.16 176.82 3kf7 h ASP 343 N 0.63 0.94 -0.23 -2.11 3.32 -1.03 -1.90 116.42 116.05 3kf7 h ASP 343 Ca 0.21 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3kf7 h ASP 343 Cb 0.01 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3kf7 h ASP 343 CO -0.09 0.79 0.02 -0.33 -1.72 0.00 0.00 179.24 177.91 3kf7 h GLU 344 N 1.03 0.50 0.03 3.56 4.39 -0.76 -0.54 114.58 122.79 3kf7 h GLU 344 Ca 0.26 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 3kf7 h GLU 344 Cb 0.08 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3kf7 h GLU 344 CO -0.04 0.52 -0.02 0.28 -1.16 0.00 0.00 179.01 178.59 3kf7 h VAL 345 N 0.48 1.20 -0.30 3.13 2.07 -0.56 -3.10 116.25 119.18 3kf7 h VAL 345 Ca 0.11 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3kf7 h VAL 345 Cb 0.29 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3kf7 h VAL 345 CO 0.01 0.19 -0.09 0.40 0.02 0.00 0.00 177.57 178.09 3kf7 h ILE 346 N -0.37 1.22 -0.02 4.57 1.08 -1.21 -2.67 117.51 120.10 3kf7 h ILE 346 Ca -0.00 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 3kf7 h ILE 346 Cb 0.35 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 3kf7 h ILE 346 CO 0.01 0.31 0.00 -1.54 -0.69 0.00 0.00 178.15 176.24 3kf7 n SER 347 N -4.23 0.48 -4.68 1.72 3.41 -0.22 -4.92 113.62 105.17 3kf7 n SER 347 Ca 0.01 -1.28 -0.42 0.00 -0.26 0.00 0.00 58.87 56.91 3kf7 n SER 347 Cb 0.30 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3kf7 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3kf7 s PHE 348 N -1.98 2.06 -0.30 7.33 5.36 -1.01 -4.99 117.98 124.45 3kf7 s PHE 348 Ca 0.39 0.04 -0.05 0.00 -0.96 0.00 0.00 56.93 56.35 3kf7 s PHE 348 Cb 0.19 -4.09 0.03 0.00 -0.34 0.00 0.00 43.02 38.81 3kf7 s PHE 348 CO 0.31 -4.54 0.05 0.08 -1.46 0.00 0.00 175.22 169.67 3kf7 s VAL 349 N 3.18 3.57 1.04 3.12 1.01 -1.26 -5.07 120.40 126.00 3kf7 s VAL 349 Ca 0.79 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 3kf7 s VAL 349 Cb -0.42 -2.93 0.21 0.00 0.00 0.00 0.00 36.38 33.25 3kf7 s VAL 349 CO 0.35 -0.01 1.13 -2.16 0.00 0.00 0.00 175.10 174.41 3kf7 s PRO 350 N 1.40 0.05 0.50 2.72 0.04 -1.26 -4.95 135.00 133.50 3kf7 s PRO 350 Ca -0.00 0.19 0.16 0.00 0.04 0.00 0.00 61.00 61.38 3kf7 s PRO 350 Cb -0.18 -1.72 1.21 0.00 0.04 0.00 0.00 34.50 33.84 3kf7 s PRO 350 CO 0.01 -2.91 2.10 -1.35 0.04 0.00 0.00 177.00 174.88 3kf7 h PRO 351 N -2.01 0.11 0.00 0.56 0.11 -1.84 -3.53 132.00 125.40 3kf7 h PRO 351 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kf7 h PRO 351 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kf7 h PRO 351 CO 0.50 0.08 0.00 -2.30 -0.21 0.00 0.00 178.00 176.06