#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvn s HIS -3 N 0.00 3.32 -0.95 1.57 3.76 -1.26 -4.98 115.29 116.74 3kvn s HIS -3 Ca 0.00 0.40 0.18 0.00 -0.15 0.00 0.00 55.06 55.49 3kvn s HIS -3 Cb 0.00 -2.43 0.76 0.00 1.11 0.00 0.00 32.58 32.02 3kvn s HIS -3 CO 0.00 -0.03 1.57 0.72 -0.85 0.00 0.00 174.74 176.15 3kvn n HIS -2 N 4.61 0.09 0.31 1.40 -0.00 -1.26 -1.30 115.22 119.06 3kvn n HIS -2 Ca -0.11 0.03 0.12 0.00 -0.00 0.00 0.00 57.72 57.76 3kvn n HIS -2 Cb 0.51 -0.55 0.11 0.00 -0.00 0.00 0.00 29.99 30.07 3kvn n HIS -2 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3kvn h LEU -1 N 0.00 0.00 -9.65 2.41 3.38 -1.94 -3.40 115.31 106.11 3kvn h LEU -1 Ca 0.00 -0.07 -0.58 0.00 0.09 0.00 0.00 57.88 57.32 3kvn h LEU -1 Cb 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3kvn h LEU -1 CO 0.00 0.04 -0.09 -1.61 0.09 0.00 0.00 178.44 176.87 3kvn s GLU 0 N -3.25 4.14 1.13 1.13 2.02 -0.42 -5.07 118.70 118.37 3kvn s GLU 0 Ca 0.04 0.62 -0.14 0.00 0.02 0.00 0.00 54.97 55.51 3kvn s GLU 0 Cb 0.10 -3.26 0.23 0.00 0.10 0.00 0.00 34.13 31.31 3kvn s GLU 0 CO 0.73 0.60 0.81 0.00 0.02 0.00 0.00 175.26 177.42 3kvn n ALA 1 N 1.98 -2.93 -0.89 5.21 0.00 -1.26 -4.79 120.51 117.82 3kvn n ALA 1 Ca -0.11 -1.12 -0.30 0.00 0.00 0.00 0.00 53.44 51.91 3kvn n ALA 1 Cb 0.51 -1.92 0.16 0.00 0.00 0.00 0.00 19.45 18.20 3kvn n ALA 1 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kvn s PRO 2 N -4.21 1.06 -0.51 0.00 0.02 -1.26 -4.96 135.00 125.14 3kvn s PRO 2 Ca 0.66 1.23 0.07 0.00 0.02 0.00 0.00 61.00 62.97 3kvn s PRO 2 Cb -0.22 -1.76 0.20 0.00 0.02 0.00 0.00 34.50 32.74 3kvn s PRO 2 CO 0.65 -2.50 0.74 -1.13 -0.33 0.00 0.00 177.00 174.43 3kvn n SER 3 N -4.11 -3.19 0.24 2.53 3.41 0.11 -4.71 113.62 107.90 3kvn n SER 3 Ca 0.09 -2.98 0.11 0.00 -0.26 0.00 0.00 58.87 55.83 3kvn n SER 3 Cb 0.53 1.65 0.59 0.00 -0.26 0.00 0.00 64.21 66.73 3kvn n SER 3 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kvn h PRO 4 N 4.81 0.00 -5.87 4.33 0.11 -1.62 -3.45 132.00 130.31 3kvn h PRO 4 Ca 0.03 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.46 3kvn h PRO 4 Cb 1.08 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.02 3kvn h PRO 4 CO 0.10 0.19 -0.65 0.71 -0.21 0.00 0.00 178.00 178.13 3kvn s TYR 5 N -3.97 3.07 0.28 0.65 2.02 -1.26 -4.95 117.35 113.19 3kvn s TYR 5 Ca -0.02 0.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.71 3kvn s TYR 5 Cb 0.12 -1.81 0.40 0.00 -0.40 0.00 0.00 41.96 40.27 3kvn s TYR 5 CO 0.62 0.32 1.88 0.66 -1.57 0.00 0.00 175.55 177.46 3kvn h SER 6 N 5.53 0.87 -5.33 2.29 4.64 -1.40 -3.47 113.55 116.68 3kvn h SER 6 Ca -0.46 -0.10 0.15 0.00 -0.47 0.00 0.00 61.79 60.91 3kvn h SER 6 Cb 1.19 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 3kvn h SER 6 CO 0.56 0.75 0.50 0.28 -0.87 0.00 0.00 176.83 178.05 3kvn s THR 7 N -5.53 0.00 -0.23 2.95 -1.32 -1.26 -4.81 115.64 105.44 3kvn s THR 7 Ca -0.11 -0.67 -0.01 0.00 -1.21 0.00 0.00 61.69 59.69 3kvn s THR 7 Cb 0.16 -2.48 0.02 0.00 -1.51 0.00 0.00 72.50 68.70 3kvn s THR 7 CO 0.80 0.00 -0.10 -0.22 -2.21 0.00 0.00 174.62 172.89 3kvn s LEU 8 N -3.16 2.88 -0.17 9.08 2.96 -1.26 -0.68 118.68 128.34 3kvn s LEU 8 Ca 0.17 -0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 3kvn s LEU 8 Cb -0.02 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3kvn s LEU 8 CO 0.05 -0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.28 3kvn s VAL 9 N 1.31 3.96 -0.02 1.68 1.01 0.11 -4.64 120.40 123.81 3kvn s VAL 9 Ca 0.01 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3kvn s VAL 9 Cb -0.16 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3kvn s VAL 9 CO -0.07 0.47 -0.26 -0.69 0.00 0.00 0.00 175.10 174.55 3kvn s VAL 10 N 0.56 2.05 0.12 2.92 1.01 -0.75 -1.43 120.40 124.88 3kvn s VAL 10 Ca -0.02 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.90 3kvn s VAL 10 Cb -0.14 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3kvn s VAL 10 CO 0.02 0.58 -0.11 -0.36 0.00 0.00 0.00 175.10 175.23 3kvn s PHE 11 N -0.57 1.21 -2.39 5.22 0.08 0.20 -0.47 117.98 121.26 3kvn s PHE 11 Ca 0.09 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.49 3kvn s PHE 11 Cb -0.10 -0.64 0.00 0.00 -0.57 0.00 0.00 43.02 41.71 3kvn s PHE 11 CO -0.01 0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.59 3kvn n GLY 12 N 0.36 0.54 0.00 4.36 0.00 -1.26 -2.17 105.19 107.02 3kvn n GLY 12 Ca -0.14 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3kvn n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kvn n ASP 13 N 0.00 1.12 0.29 1.61 5.68 -1.26 -1.03 116.55 122.97 3kvn n ASP 13 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.47 3kvn n ASP 13 Cb 0.00 0.00 0.99 0.00 -1.14 0.00 0.00 41.12 40.97 3kvn n ASP 13 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kvn h SER 14 N 0.00 0.00 -0.15 -1.12 4.64 -1.88 0.34 113.55 115.39 3kvn h SER 14 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3kvn h SER 14 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3kvn h SER 14 CO 0.00 0.00 0.10 -0.07 -0.87 0.00 0.00 176.83 175.99 3kvn h LEU 15 N 0.00 0.12 0.00 5.97 3.38 -1.93 -3.31 115.31 119.53 3kvn h LEU 15 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kvn h LEU 15 Cb 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kvn h LEU 15 CO -0.00 0.08 -1.07 -1.20 0.09 0.00 0.00 178.44 176.34 3kvn n SER 16 N -4.51 3.89 -4.55 -0.43 7.64 -0.02 -4.52 113.62 111.11 3kvn n SER 16 Ca -0.00 -0.05 -0.55 0.00 1.01 0.00 0.00 58.87 59.28 3kvn n SER 16 Cb 0.13 1.14 -0.07 0.00 -1.01 0.00 0.00 64.21 64.40 3kvn n SER 16 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3kvn n ASP 17 N -1.57 0.94 -0.30 6.43 -0.08 -0.43 -4.78 116.55 116.76 3kvn n ASP 17 Ca -0.01 1.14 0.10 0.00 -1.51 0.00 0.00 54.79 54.51 3kvn n ASP 17 Cb 0.08 -1.07 -0.04 0.00 2.34 0.00 0.00 41.12 42.43 3kvn n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kvn n ALA 18 N 2.08 3.87 0.00 -1.67 0.00 -1.26 -4.68 120.51 118.85 3kvn n ALA 18 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3kvn n ALA 18 Cb 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3kvn n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvn n GLY 19 N 1.40 -0.13 0.15 0.00 0.00 -1.24 -4.59 105.19 100.78 3kvn n GLY 19 Ca 0.07 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3kvn n GLY 19 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kvn h GLN 20 N 0.00 -0.27 -7.04 1.61 1.08 -1.85 -3.42 115.11 105.21 3kvn h GLN 20 Ca 0.00 0.02 -0.44 0.00 -1.45 0.00 0.00 58.65 56.78 3kvn h GLN 20 Cb 0.00 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3kvn h GLN 20 CO 0.00 0.11 0.34 -0.06 -0.95 0.00 0.00 178.83 178.26 3kvn s PHE 21 N -4.07 3.34 0.72 2.96 0.08 -1.26 -4.03 117.98 115.72 3kvn s PHE 21 Ca -0.14 1.62 -0.16 0.00 0.12 0.00 0.00 56.93 58.37 3kvn s PHE 21 Cb 0.01 -2.85 -0.01 0.00 -0.57 0.00 0.00 43.02 39.61 3kvn s PHE 21 CO 0.52 -0.08 0.82 -2.30 -0.10 0.00 0.00 175.22 174.08 3kvn n PRO 22 N -0.55 0.42 -3.44 0.24 -0.02 -1.26 0.32 135.00 130.72 3kvn n PRO 22 Ca 0.07 0.19 -0.44 0.00 -2.02 0.00 0.00 63.50 61.30 3kvn n PRO 22 Cb 0.54 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 3kvn n PRO 22 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kvn s ASP 23 N -1.59 6.34 0.32 2.55 3.68 -1.12 -4.01 116.67 122.85 3kvn s ASP 23 Ca 0.70 -2.74 0.07 0.00 2.13 0.00 0.00 52.55 52.72 3kvn s ASP 23 Cb -0.35 -2.11 0.75 0.00 -1.45 0.00 0.00 42.92 39.77 3kvn s ASP 23 CO 0.53 -0.52 1.82 -0.65 0.13 0.00 0.00 175.17 176.49 3kvn h PRO 24 N 7.58 0.74 -0.58 4.34 0.11 -1.92 0.52 132.00 142.79 3kvn h PRO 24 Ca 0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3kvn h PRO 24 Cb 1.02 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kvn h PRO 24 CO 0.74 0.49 0.00 0.00 -0.21 0.00 0.00 178.00 179.03 3kvn n ALA 25 N -2.38 2.79 -2.39 -0.75 0.00 -1.26 -4.95 120.51 111.57 3kvn n ALA 25 Ca 0.20 -1.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.39 3kvn n ALA 25 Cb 0.51 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 3kvn n ALA 25 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kvn s GLY 26 N -0.81 2.37 1.06 0.00 0.00 0.17 -0.49 107.32 109.62 3kvn s GLY 26 Ca 0.34 -1.40 -0.15 0.00 0.00 0.00 0.00 44.72 43.51 3kvn s GLY 26 CO 0.18 -1.92 0.45 -1.05 0.00 0.00 0.00 173.10 170.76 3kvn n PRO 27 N -1.66 -1.30 -1.91 2.90 -0.02 -1.26 -4.81 135.00 126.92 3kvn n PRO 27 Ca -0.02 -0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 60.70 3kvn n PRO 27 Cb 0.64 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.19 3kvn n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvn s ALA 28 N -2.36 3.63 0.00 3.55 0.00 -1.26 -1.80 121.76 123.52 3kvn s ALA 28 Ca 0.60 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.01 3kvn s ALA 28 Cb -0.18 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3kvn s ALA 28 CO 0.65 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3kvn n GLY 29 N 1.54 1.40 3.72 0.00 0.00 -1.26 -5.03 105.19 105.56 3kvn n GLY 29 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3kvn n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvn s SER 30 N -3.20 3.83 0.01 1.61 0.01 -0.74 -4.91 113.70 110.31 3kvn s SER 30 Ca 0.00 2.13 -0.03 0.00 1.31 0.00 0.00 55.95 59.36 3kvn s SER 30 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 3kvn s SER 30 CO 0.00 -2.50 0.03 0.28 0.41 0.00 0.00 173.24 171.46 3kvn s THR 31 N -2.51 0.10 -0.13 1.44 -1.32 -1.26 -2.79 115.64 109.17 3kvn s THR 31 Ca 0.67 -0.84 -0.17 0.00 -1.21 0.00 0.00 61.69 60.15 3kvn s THR 31 Cb -0.23 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 3kvn s THR 31 CO 0.53 -0.46 0.41 -0.44 -2.21 0.00 0.00 174.62 172.45 3kvn s SER 32 N -1.44 6.59 0.06 8.08 0.01 0.15 -4.51 113.70 122.64 3kvn s SER 32 Ca -0.16 0.70 0.07 0.00 1.31 0.00 0.00 55.95 57.88 3kvn s SER 32 Cb -0.09 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 3kvn s SER 32 CO -0.00 0.03 -0.19 -0.13 0.41 0.00 0.00 173.24 173.36 3kvn s ARG 33 N 0.58 1.17 -1.20 12.44 0.52 -1.26 -3.60 118.95 127.60 3kvn s ARG 33 Ca 0.23 -0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 54.35 3kvn s ARG 33 Cb -0.14 -1.31 0.20 0.00 0.52 0.00 0.00 34.95 34.22 3kvn s ARG 33 CO 0.08 0.32 1.48 1.19 0.02 0.00 0.00 175.30 178.39 3kvn n PHE 34 N 1.58 4.35 -3.87 -0.53 3.01 -1.26 -4.85 117.46 115.88 3kvn n PHE 34 Ca -0.18 -3.27 -0.04 0.00 1.01 0.00 0.00 57.45 54.97 3kvn n PHE 34 Cb 0.54 -1.97 0.02 0.00 -0.01 0.00 0.00 39.48 38.06 3kvn n PHE 34 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3kvn s THR 35 N 0.40 0.00 0.79 4.37 -1.32 -1.26 -4.51 115.64 114.10 3kvn s THR 35 Ca 0.39 -0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 60.12 3kvn s THR 35 Cb -0.01 -2.90 0.07 0.00 -1.51 0.00 0.00 72.50 68.15 3kvn s THR 35 CO -0.00 0.00 1.10 0.54 -2.21 0.00 0.00 174.62 174.05 3kvn s ASN 36 N -3.37 4.26 0.79 8.08 4.22 -1.26 -4.66 114.94 123.01 3kvn s ASN 36 Ca 0.21 1.90 -0.12 0.00 -2.14 0.00 0.00 52.86 52.72 3kvn s ASN 36 Cb -0.03 -2.53 0.07 0.00 1.28 0.00 0.00 41.25 40.04 3kvn s ASN 36 CO 0.06 -2.20 1.11 -0.13 -2.04 0.00 0.00 177.10 173.90 3kvn s ARG 37 N -4.81 2.11 0.48 3.55 0.52 -1.26 -1.01 118.95 118.52 3kvn s ARG 37 Ca 0.63 0.53 0.27 0.00 -0.52 0.00 0.00 55.73 56.64 3kvn s ARG 37 Cb -0.18 -1.93 1.06 0.00 0.52 0.00 0.00 34.95 34.41 3kvn s ARG 37 CO 0.56 -1.58 1.88 -0.39 0.02 0.00 0.00 175.30 175.78 3kvn h VAL 38 N -1.06 0.37 0.00 3.52 -1.51 -1.39 -3.42 116.25 112.76 3kvn h VAL 38 Ca -0.47 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 3kvn h VAL 38 Cb 1.28 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 3kvn h VAL 38 CO 0.61 0.15 0.00 0.61 -1.23 0.00 0.00 177.57 177.70 3kvn n GLY 39 N 0.11 -4.01 0.22 5.19 0.00 -1.26 -4.94 105.19 100.49 3kvn n GLY 39 Ca 0.00 -2.05 0.09 0.00 0.00 0.00 0.00 46.02 44.06 3kvn n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvn h PRO 40 N 0.00 0.00 0.00 1.61 0.13 -1.99 -3.43 132.00 128.32 3kvn h PRO 40 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 3kvn h PRO 40 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3kvn h PRO 40 CO 0.00 0.24 -1.47 1.79 -0.23 0.00 0.00 178.00 178.33 3kvn h THR 41 N 0.00 1.01 0.00 1.56 1.35 -1.97 -3.48 112.91 111.38 3kvn h THR 41 Ca -0.00 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 3kvn h THR 41 Cb 0.76 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3kvn h THR 41 CO 0.03 0.58 0.00 -1.22 -0.25 0.00 0.00 175.52 174.66 3kvn n TYR 42 N -3.10 0.00 -2.66 4.73 4.01 -1.26 -4.98 117.16 113.90 3kvn n TYR 42 Ca -0.11 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.25 3kvn n TYR 42 Cb 0.99 -1.01 -0.05 0.00 -0.31 0.00 0.00 39.34 38.96 3kvn n TYR 42 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3kvn s GLN 43 N -0.72 4.45 0.47 -0.72 -1.52 -1.26 -4.60 119.66 115.77 3kvn s GLN 43 Ca 0.00 1.46 -0.24 0.00 -1.95 0.00 0.00 55.36 54.63 3kvn s GLN 43 Cb 0.00 -2.78 -0.07 0.00 -0.22 0.00 0.00 33.01 29.94 3kvn s GLN 43 CO 0.00 0.13 1.39 -0.80 -0.25 0.00 0.00 175.29 175.76 3kvn s ASN 44 N -1.49 5.78 0.00 5.90 0.01 -1.26 -2.49 114.94 121.39 3kvn s ASN 44 Ca 0.52 2.83 0.00 0.00 -0.71 0.00 0.00 52.86 55.50 3kvn s ASN 44 Cb -0.22 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.80 3kvn s ASN 44 CO 0.28 -1.23 0.00 0.61 -1.51 0.00 0.00 177.10 175.25 3kvn n GLY 45 N 0.62 0.72 0.02 0.66 0.00 0.35 -4.87 105.19 102.69 3kvn n GLY 45 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3kvn n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kvn n SER 46 N -0.05 0.12 0.00 1.61 3.41 -1.04 -4.90 113.62 112.77 3kvn n SER 46 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3kvn n SER 46 Cb 0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3kvn n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kvn n GLY 47 N 1.39 0.79 3.77 5.00 0.00 -1.26 -5.04 105.19 109.83 3kvn n GLY 47 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3kvn n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kvn s GLU 48 N -0.29 4.12 0.73 1.61 2.02 -1.26 -4.46 118.70 121.17 3kvn s GLU 48 Ca 0.00 0.20 -0.11 0.00 0.02 0.00 0.00 54.97 55.07 3kvn s GLU 48 Cb 0.00 -3.36 0.03 0.00 0.10 0.00 0.00 34.13 30.90 3kvn s GLU 48 CO 0.00 0.38 1.10 0.96 0.02 0.00 0.00 175.26 177.72 3kvn s ILE 49 N 0.01 3.35 0.41 -1.63 -4.36 -1.26 -4.75 121.20 112.97 3kvn s ILE 49 Ca 0.19 0.44 -0.25 0.00 -0.26 0.00 0.00 60.65 60.77 3kvn s ILE 49 Cb -0.14 -3.37 -0.08 0.00 1.25 0.00 0.00 42.46 40.12 3kvn s ILE 49 CO 0.07 -0.57 1.22 -0.36 0.24 0.00 0.00 174.94 175.53 3kvn s PHE 50 N -3.31 2.95 0.56 1.37 0.08 -1.26 -1.09 117.98 117.27 3kvn s PHE 50 Ca 0.59 1.50 -0.09 0.00 0.12 0.00 0.00 56.93 59.05 3kvn s PHE 50 Cb -0.12 -3.50 0.14 0.00 -0.57 0.00 0.00 43.02 38.97 3kvn s PHE 50 CO 0.52 -1.63 0.52 0.41 -0.10 0.00 0.00 175.22 174.95 3kvn n GLY 51 N 0.64 -2.43 3.89 4.36 0.00 -0.18 -4.71 105.19 106.76 3kvn n GLY 51 Ca 0.04 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 3kvn n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kvn s PRO 52 N -4.18 3.60 0.29 1.61 0.05 -1.26 -4.83 135.00 130.27 3kvn s PRO 52 Ca 0.33 0.39 0.07 0.00 0.05 0.00 0.00 61.00 61.85 3kvn s PRO 52 Cb -0.03 -2.30 -0.03 0.00 0.05 0.00 0.00 34.50 32.19 3kvn s PRO 52 CO 0.25 -0.27 0.25 -0.08 0.05 0.00 0.00 177.00 177.21 3kvn s THR 53 N -2.79 4.10 0.24 1.26 -1.32 -1.26 -4.87 115.64 111.00 3kvn s THR 53 Ca 0.50 -1.36 -0.07 0.00 -1.21 0.00 0.00 61.69 59.56 3kvn s THR 53 Cb -0.10 -3.33 0.26 0.00 -1.51 0.00 0.00 72.50 67.81 3kvn s THR 53 CO 0.45 -0.27 1.65 0.00 -2.21 0.00 0.00 174.62 174.23 3kvn h ALA 54 N 1.35 0.81 -0.56 11.08 0.00 -1.79 -1.02 119.26 129.13 3kvn h ALA 54 Ca -0.47 0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3kvn h ALA 54 Cb 1.25 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 3kvn h ALA 54 CO 0.59 -0.41 0.37 -1.35 0.00 0.00 0.00 179.25 178.45 3kvn h PRO 55 N 0.13 0.74 -0.43 0.00 0.11 -1.89 0.10 132.00 130.76 3kvn h PRO 55 Ca 0.41 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.42 3kvn h PRO 55 Cb 0.72 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3kvn h PRO 55 CO -0.63 0.49 0.04 0.52 -0.21 0.00 0.00 178.00 178.21 3kvn h MET 56 N 0.76 0.74 -0.30 1.05 2.86 -1.52 0.00 114.93 118.51 3kvn h MET 56 Ca 0.20 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3kvn h MET 56 Cb -0.09 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 3kvn h MET 56 CO -0.04 0.79 0.03 -0.07 1.06 0.00 0.00 176.91 178.67 3kvn h LEU 57 N 0.58 0.50 -0.20 1.22 3.38 -0.99 -2.15 115.31 117.66 3kvn h LEU 57 Ca 0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kvn h LEU 57 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kvn h LEU 57 CO 0.01 0.66 0.12 0.25 0.09 0.00 0.00 178.44 179.57 3kvn h LEU 58 N 0.33 0.24 -1.00 1.67 5.85 -0.77 -1.77 115.31 119.85 3kvn h LEU 58 Ca 0.09 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kvn h LEU 58 Cb 0.39 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3kvn h LEU 58 CO 0.01 0.23 0.54 1.23 -0.34 0.00 0.00 178.44 180.11 3kvn h GLY 59 N 0.23 1.31 0.98 3.75 0.00 -0.93 -0.67 103.07 107.74 3kvn h GLY 59 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3kvn h GLY 59 CO -0.01 0.53 0.13 -0.57 0.00 0.00 0.00 176.54 176.62 3kvn h ASN 60 N 1.24 0.22 -0.93 0.19 -1.24 -1.21 0.80 115.58 114.66 3kvn h ASN 60 Ca 0.32 -0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.41 3kvn h ASN 60 Cb -0.05 -0.05 -0.07 0.00 0.73 0.00 0.00 38.32 38.89 3kvn h ASN 60 CO -0.06 0.16 0.60 1.56 -1.29 0.00 0.00 177.43 178.40 3kvn h GLN 61 N 0.27 0.96 -0.09 6.67 4.20 -0.37 -1.96 115.11 124.79 3kvn h GLN 61 Ca 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3kvn h GLN 61 Cb -0.02 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.54 3kvn h GLN 61 CO -0.03 0.64 0.00 1.28 -0.67 0.00 0.00 178.83 180.05 3kvn n LEU 62 N -4.52 0.68 -0.59 1.46 4.77 -0.36 -4.89 117.00 113.55 3kvn n LEU 62 Ca 0.15 -0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 55.75 3kvn n LEU 62 Cb 0.26 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3kvn n LEU 62 CO 0.31 0.15 -0.07 0.61 -1.33 0.00 0.00 177.39 177.06 3kvn n GLY 63 N 0.85 0.96 3.76 -0.72 0.00 -0.74 -4.57 105.19 104.74 3kvn n GLY 63 Ca 0.11 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3kvn n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvn s ILE 64 N -2.28 2.82 0.07 -0.61 -1.09 0.23 -4.94 121.20 115.40 3kvn s ILE 64 Ca 0.00 0.78 -0.35 0.00 -2.23 0.00 0.00 60.65 58.85 3kvn s ILE 64 Cb 0.00 -3.50 -0.15 0.00 -1.58 0.00 0.00 42.46 37.23 3kvn s ILE 64 CO 0.00 0.17 1.53 0.00 -1.23 0.00 0.00 174.94 175.41 3kvn n ALA 65 N 1.32 0.31 -0.33 9.38 0.00 -1.26 -4.64 120.51 125.28 3kvn n ALA 65 Ca 0.02 0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.95 3kvn n ALA 65 Cb 0.42 -2.25 0.19 0.00 0.00 0.00 0.00 19.45 17.81 3kvn n ALA 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kvn h PRO 66 N 5.83 0.93 -0.14 0.00 0.11 -1.96 -0.05 132.00 136.73 3kvn h PRO 66 Ca -0.46 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.63 3kvn h PRO 66 Cb 1.29 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3kvn h PRO 66 CO 0.86 0.61 0.17 0.78 -0.21 0.00 0.00 178.00 180.21 3kvn h GLY 67 N 0.95 0.00 2.00 -0.55 0.00 -1.98 0.61 103.07 104.10 3kvn h GLY 67 Ca 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 3kvn h GLY 67 CO -0.24 0.00 -0.13 -0.55 0.00 0.00 0.00 176.54 175.63 3kvn h ASP 68 N 0.00 0.00 0.48 0.19 5.19 -1.34 -3.16 116.42 117.78 3kvn h ASP 68 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3kvn h ASP 68 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3kvn h ASP 68 CO -0.00 0.13 -0.05 0.18 -3.12 0.00 0.00 179.24 176.38 3kvn n LEU 69 N -3.16 0.17 -4.87 1.55 4.77 0.20 -0.07 117.00 115.60 3kvn n LEU 69 Ca 0.02 0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.88 3kvn n LEU 69 Cb 0.51 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3kvn n LEU 69 CO 0.34 0.03 0.75 0.00 -1.33 0.00 0.00 177.39 177.18 3kvn s ALA 70 N -2.53 2.75 0.92 -1.18 0.00 -1.19 -4.68 121.76 115.85 3kvn s ALA 70 Ca 0.29 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 3kvn s ALA 70 Cb 0.20 -3.04 0.15 0.00 0.00 0.00 0.00 23.12 20.43 3kvn s ALA 70 CO 0.47 -1.29 1.14 0.00 0.00 0.00 0.00 175.76 176.08 3kvn s ALA 71 N -3.33 1.43 -0.14 0.00 0.00 -1.26 -1.74 121.76 116.72 3kvn s ALA 71 Ca 0.59 0.57 0.18 0.00 0.00 0.00 0.00 51.96 53.29 3kvn s ALA 71 Cb -0.12 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3kvn s ALA 71 CO 0.52 -2.78 0.87 -1.13 0.00 0.00 0.00 175.76 173.24 3kvn n SER 72 N -4.25 0.87 -1.27 0.00 3.41 0.06 0.09 113.62 112.54 3kvn n SER 72 Ca 0.12 0.37 0.03 0.00 -0.26 0.00 0.00 58.87 59.13 3kvn n SER 72 Cb 0.52 0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.67 3kvn n SER 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kvn n THR 73 N -2.85 0.00 -2.26 6.66 -1.04 -1.26 -4.65 114.28 108.88 3kvn n THR 73 Ca -0.08 -0.74 -0.41 0.00 -2.04 0.00 0.00 64.05 60.78 3kvn n THR 73 Cb 0.79 0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 70.13 3kvn n THR 73 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3kvn s SER 74 N -1.73 6.94 0.29 8.00 0.15 -1.26 -4.75 113.70 121.35 3kvn s SER 74 Ca 0.25 2.35 0.08 0.00 0.70 0.00 0.00 55.95 59.33 3kvn s SER 74 Cb 0.29 -2.61 0.44 0.00 -1.71 0.00 0.00 66.02 62.44 3kvn s SER 74 CO -0.13 -0.49 1.68 -0.65 1.20 0.00 0.00 173.24 174.85 3kvn h PRO 75 N 5.42 0.16 -0.15 5.44 0.11 -1.86 -3.05 132.00 138.06 3kvn h PRO 75 Ca -0.44 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3kvn h PRO 75 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kvn h PRO 75 CO 0.77 0.60 0.06 0.28 -0.21 0.00 0.00 178.00 179.50 3kvn h VAL 76 N 0.13 1.16 -0.69 3.15 2.07 -1.91 -1.36 116.25 118.80 3kvn h VAL 76 Ca 0.01 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.12 3kvn h VAL 76 Cb 0.89 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3kvn h VAL 76 CO 0.07 0.15 0.36 0.78 0.02 0.00 0.00 177.57 178.94 3kvn h ASN 77 N 0.08 0.49 0.24 0.57 2.35 -1.83 0.26 115.58 117.74 3kvn h ASN 77 Ca 0.05 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3kvn h ASN 77 Cb 0.18 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 3kvn h ASN 77 CO -0.00 0.30 -0.47 0.00 -1.65 0.00 0.00 177.43 175.60 3kvn h ALA 78 N 1.39 -1.02 -0.81 -0.83 0.00 -1.37 0.59 119.26 117.21 3kvn h ALA 78 Ca 0.33 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.28 3kvn h ALA 78 Cb 0.29 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3kvn h ALA 78 CO -0.23 -1.11 0.54 1.96 0.00 0.00 0.00 179.25 180.42 3kvn h GLN 79 N -0.77 0.39 -0.00 0.00 4.20 -0.29 -1.41 115.11 117.22 3kvn h GLN 79 Ca -0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3kvn h GLN 79 Cb 0.73 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3kvn h GLN 79 CO -0.19 0.26 -0.18 1.04 -0.67 0.00 0.00 178.83 179.09 3kvn n GLN 80 N -4.48 0.13 -2.69 1.46 1.13 0.81 -4.92 117.38 108.81 3kvn n GLN 80 Ca 0.16 -0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 55.09 3kvn n GLN 80 Cb 0.61 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.48 3kvn n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kvn n GLY 81 N 1.46 0.22 3.38 1.08 0.00 -0.53 -5.03 105.19 105.76 3kvn n GLY 81 Ca 0.08 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3kvn n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvn s ILE 82 N -2.90 3.14 0.45 -0.61 1.01 0.10 -5.05 121.20 117.35 3kvn s ILE 82 Ca 0.16 -0.62 -0.24 0.00 0.00 0.00 0.00 60.65 59.94 3kvn s ILE 82 Cb -0.07 -2.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 3kvn s ILE 82 CO 0.20 0.52 1.30 0.00 0.00 0.00 0.00 174.94 176.95 3kvn s ALA 83 N 0.43 3.10 0.48 9.38 0.00 -1.26 -4.22 121.76 129.67 3kvn s ALA 83 Ca -0.09 1.22 -0.24 0.00 0.00 0.00 0.00 51.96 52.85 3kvn s ALA 83 Cb -0.16 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 3kvn s ALA 83 CO 0.05 -0.95 1.34 -0.51 0.00 0.00 0.00 175.76 175.69 3kvn s ASP 84 N -0.89 5.77 0.00 0.00 1.01 -1.26 -4.96 116.67 116.33 3kvn s ASP 84 Ca 0.62 2.73 0.00 0.00 0.71 0.00 0.00 52.55 56.61 3kvn s ASP 84 Cb -0.37 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.92 3kvn s ASP 84 CO 0.46 -1.22 0.00 0.61 0.21 0.00 0.00 175.17 175.23 3kvn n GLY 85 N 0.63 2.63 1.10 0.21 0.00 0.11 -4.90 105.19 104.97 3kvn n GLY 85 Ca 0.07 -2.08 0.09 0.00 0.00 0.00 0.00 46.02 44.10 3kvn n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kvn n ASN 86 N -1.15 3.69 -4.40 1.61 3.02 0.91 -3.93 115.26 115.01 3kvn n ASN 86 Ca 0.00 -2.11 -0.44 0.00 -0.03 0.00 0.00 54.58 51.99 3kvn n ASN 86 Cb 0.00 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.70 3kvn n ASN 86 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kvn s ASN 87 N -1.03 6.19 0.00 6.41 3.84 -0.71 -1.81 114.94 127.83 3kvn s ASN 87 Ca 0.39 -1.26 0.22 0.00 0.21 0.00 0.00 52.86 52.43 3kvn s ASN 87 Cb 0.22 -2.27 0.58 0.00 -0.55 0.00 0.00 41.25 39.23 3kvn s ASN 87 CO 0.24 -0.92 1.47 0.79 -2.79 0.00 0.00 177.10 175.89 3kvn n TRP 88 N 5.96 0.31 -2.00 0.43 7.02 0.38 -0.76 117.44 128.78 3kvn n TRP 88 Ca -0.09 -0.15 -0.41 0.00 -1.02 0.00 0.00 57.50 55.83 3kvn n TRP 88 Cb 0.43 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.31 3kvn n TRP 88 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3kvn s ALA 89 N -1.69 3.49 -0.07 6.99 0.00 -1.21 -4.54 121.76 124.72 3kvn s ALA 89 Ca 0.35 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.68 3kvn s ALA 89 Cb 0.20 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3kvn s ALA 89 CO 0.29 -0.81 -0.07 0.08 0.00 0.00 0.00 175.76 175.26 3kvn s VAL 90 N -1.15 0.80 0.02 0.00 1.01 -0.20 -4.40 120.40 116.48 3kvn s VAL 90 Ca 0.51 -0.22 -0.37 0.00 0.00 0.00 0.00 61.98 61.91 3kvn s VAL 90 Cb -0.42 -0.82 -0.15 0.00 0.00 0.00 0.00 36.38 34.99 3kvn s VAL 90 CO 0.56 0.30 1.52 0.61 0.00 0.00 0.00 175.10 178.09 3kvn n GLY 91 N 4.41 0.78 0.00 4.51 0.00 -1.26 -1.98 105.19 111.65 3kvn n GLY 91 Ca -0.18 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3kvn n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvn n GLY 92 N 3.21 3.10 3.73 -0.02 0.00 -1.26 -4.81 105.19 109.14 3kvn n GLY 92 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3kvn n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kvn s TYR 93 N -2.75 2.93 0.72 1.61 1.51 -0.84 -4.89 117.35 115.66 3kvn s TYR 93 Ca 0.00 0.73 -0.05 0.00 -1.01 0.00 0.00 57.07 56.74 3kvn s TYR 93 Cb 0.00 -3.98 0.10 0.00 -0.11 0.00 0.00 41.96 37.97 3kvn s TYR 93 CO 0.00 -3.42 1.01 1.03 -1.11 0.00 0.00 175.55 173.06 3kvn s ARG 94 N 0.27 1.85 0.28 -0.62 0.52 -1.26 -4.47 118.95 115.51 3kvn s ARG 94 Ca 0.66 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 3kvn s ARG 94 Cb -0.45 -2.23 0.60 0.00 0.52 0.00 0.00 34.95 33.39 3kvn s ARG 94 CO 0.39 -1.40 1.77 1.79 0.02 0.00 0.00 175.30 177.88 3kvn h THR 95 N -0.62 0.74 -0.13 0.02 1.35 -1.92 -1.17 112.91 111.18 3kvn h THR 95 Ca -0.41 -0.24 -0.11 0.00 -0.55 0.00 0.00 66.41 65.09 3kvn h THR 95 Cb 1.28 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3kvn h THR 95 CO 0.49 0.13 -0.40 -2.24 -0.25 0.00 0.00 175.52 173.24 3kvn h ASP 96 N 0.71 0.31 0.09 5.36 2.03 -1.94 -1.57 116.42 121.40 3kvn h ASP 96 Ca 0.51 -0.13 -0.22 0.00 -0.73 0.00 0.00 57.03 56.46 3kvn h ASP 96 Cb 0.72 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 39.14 3kvn h ASP 96 CO -0.36 0.68 -0.83 1.56 -1.03 0.00 0.00 179.24 179.27 3kvn h GLN 97 N 0.25 0.59 -0.32 4.15 4.20 -1.71 -1.89 115.11 120.37 3kvn h GLN 97 Ca 0.02 -0.52 0.02 0.00 0.06 0.00 0.00 58.65 58.23 3kvn h GLN 97 Cb 0.82 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 3kvn h GLN 97 CO 0.07 1.15 0.17 0.82 -0.67 0.00 0.00 178.83 180.37 3kvn h ILE 98 N 0.38 1.01 -0.38 2.54 2.04 -1.05 -0.92 117.51 121.13 3kvn h ILE 98 Ca -0.06 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3kvn h ILE 98 Cb 1.44 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 3kvn h ILE 98 CO 0.16 0.07 0.14 0.22 0.00 0.00 0.00 178.15 178.73 3kvn h TYR 99 N 0.36 0.24 -0.56 1.37 3.20 -1.22 -2.38 116.97 117.97 3kvn h TYR 99 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3kvn h TYR 99 Cb 0.02 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3kvn h TYR 99 CO -0.09 0.10 0.29 -0.44 -1.64 0.00 0.00 178.16 176.38 3kvn h ASP 100 N 0.29 0.69 0.58 -2.11 3.32 -0.97 -1.40 116.42 116.83 3kvn h ASP 100 Ca 0.17 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kvn h ASP 100 Cb 0.15 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3kvn h ASP 100 CO -0.18 0.58 0.00 0.77 -1.72 0.00 0.00 179.24 178.69 3kvn h SER 101 N 0.78 0.00 0.03 6.45 4.64 -0.65 0.89 113.55 125.70 3kvn h SER 101 Ca 0.20 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.14 3kvn h SER 101 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 3kvn h SER 101 CO -0.03 0.00 -2.17 -0.38 -0.87 0.00 0.00 176.83 173.38 3kvn n ILE 102 N -2.35 1.59 -0.04 0.95 5.41 -0.73 -1.57 119.36 122.62 3kvn n ILE 102 Ca 0.01 -0.46 -0.03 0.00 1.00 0.00 0.00 62.75 63.27 3kvn n ILE 102 Cb 0.19 -1.71 -0.09 0.00 -0.71 0.00 0.00 39.64 37.32 3kvn n ILE 102 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3kvn n THR 103 N -3.74 0.57 -3.76 1.39 -2.24 -0.61 -1.57 114.28 104.32 3kvn n THR 103 Ca -0.42 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 60.66 3kvn n THR 103 Cb 0.93 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 3kvn n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvn s ALA 104 N -2.39 3.87 0.34 6.98 0.00 0.29 -4.69 121.76 126.15 3kvn s ALA 104 Ca -0.05 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 3kvn s ALA 104 Cb 0.04 -1.97 -0.11 0.00 0.00 0.00 0.00 23.12 21.09 3kvn s ALA 104 CO 0.46 0.56 1.43 0.00 0.00 0.00 0.00 175.76 178.21 3kvn s ALA 105 N -1.75 3.57 -1.26 0.00 0.00 -1.26 -1.05 121.76 120.02 3kvn s ALA 105 Ca 0.38 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.66 3kvn s ALA 105 Cb -0.12 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.55 3kvn s ALA 105 CO 0.28 -0.88 0.46 0.09 0.00 0.00 0.00 175.76 175.71 3kvn n ASN 106 N 0.98 -2.65 0.19 0.00 3.02 -1.26 -4.81 115.26 110.73 3kvn n ASN 106 Ca 0.02 -0.52 0.12 0.00 -0.03 0.00 0.00 54.58 54.17 3kvn n ASN 106 Cb 0.40 -2.25 0.14 0.00 -0.61 0.00 0.00 39.78 37.46 3kvn n ASN 106 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kvn h GLY 107 N -0.81 0.00 -7.58 7.41 0.00 -1.30 -3.39 103.07 97.39 3kvn h GLY 107 Ca -0.41 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.19 3kvn h GLY 107 CO 0.56 0.00 0.55 -0.45 0.00 0.00 0.00 176.54 177.20 3kvn s SER 108 N -6.01 6.66 -0.19 0.19 0.15 -0.65 -3.50 113.70 110.35 3kvn s SER 108 Ca 0.05 -2.25 -0.09 0.00 0.70 0.00 0.00 55.95 54.37 3kvn s SER 108 Cb 0.06 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 3kvn s SER 108 CO 0.69 -0.89 0.09 -0.76 1.20 0.00 0.00 173.24 173.57 3kvn s LEU 109 N 1.80 4.00 -0.40 3.45 1.43 -1.26 -1.81 118.68 125.89 3kvn s LEU 109 Ca 0.27 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3kvn s LEU 109 Cb -0.07 -2.02 0.10 0.00 0.03 0.00 0.00 46.19 44.23 3kvn s LEU 109 CO -0.09 0.18 0.19 -0.63 0.23 0.00 0.00 176.35 176.23 3kvn s ILE 110 N 0.36 3.35 0.02 -0.59 -1.09 0.10 -5.02 121.20 118.32 3kvn s ILE 110 Ca 0.05 -1.92 0.02 0.00 -2.23 0.00 0.00 60.65 56.57 3kvn s ILE 110 Cb -0.12 -3.23 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 3kvn s ILE 110 CO -0.01 -0.61 -0.07 -1.83 -1.23 0.00 0.00 174.94 171.18 3kvn s GLU 111 N 1.18 0.55 -0.04 2.79 -1.05 -1.26 -1.06 118.70 119.80 3kvn s GLU 111 Ca 0.06 -0.45 0.01 0.00 -0.15 0.00 0.00 54.97 54.44 3kvn s GLU 111 Cb -0.23 -0.46 0.02 0.00 -0.44 0.00 0.00 34.13 33.03 3kvn s GLU 111 CO -0.03 0.11 -0.05 0.50 0.95 0.00 0.00 175.26 176.74 3kvn s ARG 112 N -0.72 0.85 -1.10 -4.83 3.52 -1.06 -4.96 118.95 110.66 3kvn s ARG 112 Ca -0.02 -0.12 -0.16 0.00 -0.13 0.00 0.00 55.73 55.30 3kvn s ARG 112 Cb -0.05 -0.85 -0.02 0.00 -1.56 0.00 0.00 34.95 32.47 3kvn s ARG 112 CO 0.00 -0.07 0.82 -3.47 -0.81 0.00 0.00 175.30 171.77 3kvn n ASP 113 N 4.01 -5.74 0.00 -2.12 2.03 -1.26 -1.87 116.55 111.60 3kvn n ASP 113 Ca -0.25 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.15 3kvn n ASP 113 Cb 0.51 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 37.06 3kvn n ASP 113 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3kvn n ASN 114 N -2.77 -0.85 -4.30 1.67 3.02 -1.26 -4.96 115.26 105.81 3kvn n ASN 114 Ca -0.09 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.13 3kvn n ASN 114 Cb 0.60 -1.84 -0.15 0.00 -0.61 0.00 0.00 39.78 37.77 3kvn n ASN 114 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kvn s THR 115 N -1.85 2.72 -0.44 3.41 -1.32 -0.78 -5.09 115.64 112.29 3kvn s THR 115 Ca 0.00 -0.77 -0.26 0.00 -1.21 0.00 0.00 61.69 59.46 3kvn s THR 115 Cb 0.00 -2.13 0.02 0.00 -1.51 0.00 0.00 72.50 68.88 3kvn s THR 115 CO 0.00 0.53 0.93 -0.22 -2.21 0.00 0.00 174.62 173.64 3kvn s LEU 116 N 0.54 4.00 0.09 9.08 2.96 -1.26 -2.55 118.68 131.54 3kvn s LEU 116 Ca -0.10 0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3kvn s LEU 116 Cb -0.16 -3.21 -0.21 0.00 0.50 0.00 0.00 46.19 43.11 3kvn s LEU 116 CO 0.04 -1.02 1.19 -0.07 -1.32 0.00 0.00 176.35 175.18 3kvn h LEU 117 N 10.49 0.66 -7.00 -0.68 3.38 -1.47 -3.48 115.31 117.20 3kvn h LEU 117 Ca -0.24 -0.59 0.24 0.00 0.09 0.00 0.00 57.88 57.38 3kvn h LEU 117 Cb 1.08 -0.21 -0.22 0.00 0.09 0.00 0.00 40.66 41.41 3kvn h LEU 117 CO 1.02 1.41 0.83 -0.60 0.09 0.00 0.00 178.44 181.19 3kvn s ARG 118 N -3.05 0.25 0.07 1.13 3.52 -1.08 -4.77 118.95 115.03 3kvn s ARG 118 Ca -0.07 -0.05 -0.13 0.00 -0.13 0.00 0.00 55.73 55.35 3kvn s ARG 118 Cb 0.07 0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 3kvn s ARG 118 CO 0.90 -0.10 0.30 0.45 -0.81 0.00 0.00 175.30 176.04 3kvn s SER 119 N -1.78 -0.10 0.10 -2.12 0.15 -1.26 -0.72 113.70 107.97 3kvn s SER 119 Ca 0.08 -0.29 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 3kvn s SER 119 Cb -0.01 0.38 0.08 0.00 -1.71 0.00 0.00 66.02 64.76 3kvn s SER 119 CO -0.05 -0.68 0.72 0.00 1.20 0.00 0.00 173.24 174.43 3kvn s ARG 120 N -3.02 1.13 0.81 5.44 1.70 -0.75 -5.03 118.95 119.23 3kvn s ARG 120 Ca -0.02 -0.43 -0.12 0.00 -0.47 0.00 0.00 55.73 54.69 3kvn s ARG 120 Cb 0.01 0.51 0.09 0.00 -0.57 0.00 0.00 34.95 34.98 3kvn s ARG 120 CO -0.06 -0.49 1.16 -0.51 -1.08 0.00 0.00 175.30 174.32 3kvn s ASP 121 N -2.66 3.69 1.07 -2.89 1.01 -1.26 -1.63 116.67 113.99 3kvn s ASP 121 Ca 0.03 2.21 -0.12 0.00 0.71 0.00 0.00 52.55 55.38 3kvn s ASP 121 Cb -0.01 -2.57 0.22 0.00 1.01 0.00 0.00 42.92 41.57 3kvn s ASP 121 CO -0.10 -2.60 1.02 0.61 0.21 0.00 0.00 175.17 174.31 3kvn n GLY 122 N 0.09 -1.38 0.31 0.21 0.00 -0.21 -4.48 105.19 99.72 3kvn n GLY 122 Ca 0.12 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 3kvn n GLY 122 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kvn h TYR 123 N -2.34 -0.78 0.00 1.61 3.20 -1.24 -1.36 116.97 116.07 3kvn h TYR 123 Ca -0.54 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.32 3kvn h TYR 123 Cb 1.31 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 3kvn h TYR 123 CO 0.36 -0.36 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.14 3kvn h LEU 124 N -0.25 0.00 -0.01 2.82 3.38 -1.58 -1.15 115.31 118.53 3kvn h LEU 124 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kvn h LEU 124 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kvn h LEU 124 CO -0.48 0.31 -0.04 0.58 0.09 0.00 0.00 178.44 178.90 3kvn h VAL 125 N 0.00 1.54 -0.89 1.22 2.07 -1.62 0.50 116.25 119.07 3kvn h VAL 125 Ca -0.00 -1.64 0.16 0.00 0.82 0.00 0.00 66.70 66.04 3kvn h VAL 125 Cb 0.84 2.62 -0.07 0.00 -1.52 0.00 0.00 31.29 33.16 3kvn h VAL 125 CO 0.04 0.43 0.57 -0.78 0.02 0.00 0.00 177.57 177.86 3kvn h ASP 126 N -0.62 0.59 0.10 0.57 3.58 -1.18 -2.75 116.42 116.72 3kvn h ASP 126 Ca -0.00 0.04 -0.26 0.00 0.42 0.00 0.00 57.03 57.23 3kvn h ASP 126 Cb 0.73 -0.07 0.03 0.00 1.72 0.00 0.00 39.33 41.73 3kvn h ASP 126 CO 0.01 0.29 -1.07 0.03 -2.88 0.00 0.00 179.24 175.61 3kvn h ARG 127 N 0.62 0.54 0.00 0.28 2.47 -1.04 -3.05 114.38 114.21 3kvn h ARG 127 Ca 0.45 -0.72 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 3kvn h ARG 127 Cb 0.82 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 3kvn h ARG 127 CO -0.20 1.32 0.00 0.00 0.56 0.00 0.00 179.97 181.65 3kvn n ALA 128 N -2.66 1.19 -2.51 0.04 0.00 0.17 -1.21 120.51 115.54 3kvn n ALA 128 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 3kvn n ALA 128 Cb 0.91 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 3kvn n ALA 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kvn s ARG 129 N -2.57 4.00 0.00 0.00 6.06 -1.13 -1.53 118.95 123.78 3kvn s ARG 129 Ca 0.00 1.21 0.00 0.00 -2.50 0.00 0.00 55.73 54.44 3kvn s ARG 129 Cb 0.00 -3.82 0.00 0.00 0.06 0.00 0.00 34.95 31.19 3kvn s ARG 129 CO 0.00 -1.01 0.00 0.94 -2.50 0.00 0.00 175.30 172.73 3kvn n GLN 130 N 7.10 0.00 -3.81 5.12 7.27 -1.24 -4.17 117.38 127.65 3kvn n GLN 130 Ca 0.14 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.91 3kvn n GLN 130 Cb 0.47 -1.01 -0.03 0.00 2.41 0.00 0.00 30.24 32.08 3kvn n GLN 130 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kvn n GLY 131 N -2.28 -0.46 3.76 1.69 0.00 -0.58 -4.89 105.19 102.43 3kvn n GLY 131 Ca 0.00 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3kvn n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvn s LEU 132 N -6.76 4.50 0.00 0.99 1.43 -0.35 -4.91 118.68 113.58 3kvn s LEU 132 Ca 0.57 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 3kvn s LEU 132 Cb -0.31 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3kvn s LEU 132 CO 0.70 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.99 3kvn n GLY 133 N 2.08 0.98 3.63 -3.19 0.00 -1.26 -2.55 105.19 104.87 3kvn n GLY 133 Ca -0.04 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 3kvn n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvn s ALA 134 N -3.50 0.63 -0.36 4.61 0.00 0.15 -4.89 121.76 118.40 3kvn s ALA 134 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 3kvn s ALA 134 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3kvn s ALA 134 CO 0.00 -3.07 0.69 0.34 0.00 0.00 0.00 175.76 173.72 3kvn s ASP 135 N -3.16 6.48 0.47 0.00 -1.08 -1.26 -4.79 116.67 113.32 3kvn s ASP 135 Ca 0.66 0.23 0.32 0.00 -0.52 0.00 0.00 52.55 53.24 3kvn s ASP 135 Cb -0.20 -2.35 1.63 0.00 -1.46 0.00 0.00 42.92 40.53 3kvn s ASP 135 CO 0.60 -0.64 1.97 -0.65 0.52 0.00 0.00 175.17 176.97 3kvn h PRO 136 N 8.46 0.00 -0.01 4.34 0.11 -1.94 -2.05 132.00 140.91 3kvn h PRO 136 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3kvn h PRO 136 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kvn h PRO 136 CO 0.86 0.00 -0.55 0.09 -0.21 0.00 0.00 178.00 178.20 3kvn n ASN 137 N -2.67 1.47 -4.84 -2.05 3.02 -1.26 -4.48 115.26 104.45 3kvn n ASN 137 Ca -0.01 -1.23 -0.32 0.00 -0.03 0.00 0.00 54.58 52.98 3kvn n ASN 137 Cb 0.11 0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 39.89 3kvn n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kvn s ALA 138 N -2.33 3.13 -0.11 5.41 0.00 -0.77 -1.03 121.76 126.07 3kvn s ALA 138 Ca 0.12 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 3kvn s ALA 138 Cb 0.15 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 3kvn s ALA 138 CO 0.56 -0.03 0.59 -1.17 0.00 0.00 0.00 175.76 175.71 3kvn s LEU 139 N -3.65 4.28 0.10 0.00 2.96 0.14 -4.33 118.68 118.17 3kvn s LEU 139 Ca 0.58 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 55.50 3kvn s LEU 139 Cb -0.10 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 3kvn s LEU 139 CO 0.24 -0.08 0.09 -0.31 -1.32 0.00 0.00 176.35 174.97 3kvn s TYR 140 N 0.84 3.17 -0.15 5.38 1.51 0.35 -0.71 117.35 127.75 3kvn s TYR 140 Ca 0.31 0.06 -0.07 0.00 -1.01 0.00 0.00 57.07 56.36 3kvn s TYR 140 Cb -0.16 -1.60 0.06 0.00 -0.11 0.00 0.00 41.96 40.15 3kvn s TYR 140 CO 0.14 0.52 0.33 -0.47 -1.11 0.00 0.00 175.55 174.96 3kvn s TYR 141 N -1.45 -0.51 -0.02 2.71 5.04 -0.51 0.63 117.35 123.23 3kvn s TYR 141 Ca 0.29 1.11 0.02 0.00 -2.44 0.00 0.00 57.07 56.06 3kvn s TYR 141 Cb -0.12 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.34 3kvn s TYR 141 CO 0.22 -0.33 -0.08 0.42 -1.34 0.00 0.00 175.55 174.44 3kvn s ILE 142 N 1.72 0.64 0.33 3.14 1.01 -0.23 -0.63 121.20 127.19 3kvn s ILE 142 Ca -0.06 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.35 3kvn s ILE 142 Cb -0.10 -0.57 -0.06 0.00 0.01 0.00 0.00 42.46 41.73 3kvn s ILE 142 CO -0.11 0.20 -0.04 0.42 0.00 0.00 0.00 174.94 175.42 3kvn s THR 143 N 0.09 1.77 0.00 2.92 -4.23 -0.92 -2.55 115.64 112.72 3kvn s THR 143 Ca -0.01 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3kvn s THR 143 Cb -0.06 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.12 3kvn s THR 143 CO -0.00 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3kvn n GLY 144 N -0.72 4.08 0.00 3.99 0.00 -1.26 -4.08 105.19 107.20 3kvn n GLY 144 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3kvn n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvn n GLY 145 N -1.43 3.39 0.11 -0.02 0.00 -1.26 -4.87 105.19 101.10 3kvn n GLY 145 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 3kvn n GLY 145 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kvn h GLY 146 N 0.00 0.18 1.70 -0.02 0.00 -1.97 -2.10 103.07 100.85 3kvn h GLY 146 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3kvn h GLY 146 CO 0.00 -0.08 0.14 3.43 0.00 0.00 0.00 176.54 180.03 3kvn h ASN 147 N 0.02 0.35 -0.75 0.19 2.35 -1.90 0.46 115.58 116.29 3kvn h ASN 147 Ca 0.11 -0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3kvn h ASN 147 Cb 0.16 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 3kvn h ASN 147 CO -0.22 0.31 0.41 0.44 -1.65 0.00 0.00 177.43 176.72 3kvn h ASP 148 N 0.40 0.58 0.02 5.81 5.19 -1.69 -1.45 116.42 125.28 3kvn h ASP 148 Ca 0.10 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3kvn h ASP 148 Cb 0.05 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3kvn h ASP 148 CO -0.01 0.34 -0.01 -0.26 -3.12 0.00 0.00 179.24 176.18 3kvn h PHE 149 N 0.71 -0.02 -0.69 4.55 0.04 -0.64 -1.96 116.94 118.92 3kvn h PHE 149 Ca 0.36 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.19 3kvn h PHE 149 Cb 0.32 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 3kvn h PHE 149 CO -0.08 0.38 0.45 -0.07 -0.60 0.00 0.00 178.31 178.40 3kvn h LEU 150 N -0.43 0.61 -1.40 1.54 3.38 -0.77 -1.50 115.31 116.74 3kvn h LEU 150 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kvn h LEU 150 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kvn h LEU 150 CO 0.00 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.93 3kvn n GLN 151 N -4.48 1.93 -1.24 1.13 6.02 -0.57 -4.88 117.38 115.30 3kvn n GLN 151 Ca 0.10 -0.91 -0.08 0.00 -0.01 0.00 0.00 57.00 56.10 3kvn n GLN 151 Cb 0.24 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 3kvn n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvn n GLY 152 N 0.47 0.94 0.39 1.08 0.00 -0.56 -4.86 105.19 102.65 3kvn n GLY 152 Ca 0.08 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3kvn n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvn n ARG 153 N -1.89 1.52 -3.68 1.61 1.74 -0.74 -4.58 116.66 110.64 3kvn n ARG 153 Ca -0.08 -0.78 -0.29 0.00 -0.77 0.00 0.00 57.85 55.93 3kvn n ARG 153 Cb 0.38 -1.41 -0.15 0.00 -1.02 0.00 0.00 32.46 30.26 3kvn n ARG 153 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kvn s ILE 154 N -1.90 0.54 0.00 0.55 1.01 -1.23 -4.86 121.20 115.31 3kvn s ILE 154 Ca 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3kvn s ILE 154 Cb 0.18 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.32 3kvn s ILE 154 CO 0.28 -0.58 0.12 0.18 0.00 0.00 0.00 174.94 174.95 3kvn n LEU 155 N 5.00 0.24 -4.01 2.97 4.77 -1.26 -4.91 117.00 119.80 3kvn n LEU 155 Ca -0.05 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.36 3kvn n LEU 155 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3kvn n LEU 155 CO 0.10 0.06 0.17 0.54 -1.33 0.00 0.00 177.39 176.93 3kvn s ASN 156 N -0.46 0.09 0.22 -1.43 2.20 -1.26 -5.05 114.94 109.25 3kvn s ASN 156 Ca 0.00 -1.05 -0.08 0.00 -0.94 0.00 0.00 52.86 50.79 3kvn s ASN 156 Cb 0.00 0.60 0.28 0.00 -2.00 0.00 0.00 41.25 40.13 3kvn s ASN 156 CO 0.00 -1.18 1.82 0.44 -2.94 0.00 0.00 177.10 175.23 3kvn h ASP 157 N 2.23 0.62 -0.30 3.54 3.32 -1.97 -1.95 116.42 121.91 3kvn h ASP 157 Ca -0.27 0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3kvn h ASP 157 Cb 1.25 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 3kvn h ASP 157 CO 0.37 0.39 0.14 0.58 -1.72 0.00 0.00 179.24 179.00 3kvn h VAL 158 N 0.75 0.96 -0.24 -1.35 2.07 -1.99 -0.76 116.25 115.69 3kvn h VAL 158 Ca 0.33 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 3kvn h VAL 158 Cb 0.21 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3kvn h VAL 158 CO -0.19 0.05 -0.10 1.56 0.02 0.00 0.00 177.57 178.91 3kvn h GLN 159 N 0.29 0.39 -0.34 1.57 4.20 -1.77 -0.06 115.11 119.40 3kvn h GLN 159 Ca 0.13 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 3kvn h GLN 159 Cb 0.06 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3kvn h GLN 159 CO -0.10 0.50 -0.33 0.00 -0.67 0.00 0.00 178.83 178.23 3kvn h ALA 160 N 1.53 0.49 -0.75 3.87 0.00 -0.76 -1.38 119.26 122.27 3kvn h ALA 160 Ca 0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3kvn h ALA 160 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kvn h ALA 160 CO 0.02 0.55 0.29 1.96 0.00 0.00 0.00 179.25 182.08 3kvn h GLN 161 N 0.60 1.12 -0.43 0.00 4.20 -0.76 -1.58 115.11 118.27 3kvn h GLN 161 Ca 0.05 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 3kvn h GLN 161 Cb 0.92 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3kvn h GLN 161 CO 0.08 0.92 -0.02 1.96 -0.67 0.00 0.00 178.83 181.10 3kvn h GLN 162 N 1.08 0.71 -0.29 1.46 4.20 -0.84 -1.00 115.11 120.42 3kvn h GLN 162 Ca 0.25 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 3kvn h GLN 162 Cb 0.23 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3kvn h GLN 162 CO -0.02 0.74 -0.33 0.00 -0.67 0.00 0.00 178.83 178.55 3kvn h ALA 163 N 1.31 0.88 -0.66 3.87 0.00 -0.99 -1.90 119.26 121.78 3kvn h ALA 163 Ca 0.13 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3kvn h ALA 163 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3kvn h ALA 163 CO 0.02 0.63 0.14 0.00 0.00 0.00 0.00 179.25 180.04 3kvn h ALA 164 N 1.10 1.01 -0.41 0.00 0.00 -0.87 -2.41 119.26 117.67 3kvn h ALA 164 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3kvn h ALA 164 Cb 0.82 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kvn h ALA 164 CO 0.07 0.64 0.12 0.78 0.00 0.00 0.00 179.25 180.86 3kvn h GLY 165 N 1.06 0.64 1.71 0.00 0.00 -0.80 -1.24 103.07 104.43 3kvn h GLY 165 Ca 0.21 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 3kvn h GLY 165 CO 0.00 0.31 -0.58 3.21 0.00 0.00 0.00 176.54 179.49 3kvn h ARG 166 N 0.59 0.30 -0.16 4.80 3.08 -0.97 -0.53 114.38 121.49 3kvn h ARG 166 Ca 0.14 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3kvn h ARG 166 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3kvn h ARG 166 CO -0.01 0.79 0.07 1.25 -1.07 0.00 0.00 179.97 181.01 3kvn h LEU 167 N 0.23 0.21 -1.39 3.04 5.85 -0.94 -2.85 115.31 119.46 3kvn h LEU 167 Ca -0.00 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3kvn h LEU 167 Cb 1.08 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3kvn h LEU 167 CO 0.09 0.29 0.08 0.58 -0.34 0.00 0.00 178.44 179.14 3kvn h VAL 168 N 0.12 1.16 -0.97 1.05 2.07 -0.98 -0.60 116.25 118.10 3kvn h VAL 168 Ca 0.05 -0.56 0.15 0.00 0.82 0.00 0.00 66.70 67.17 3kvn h VAL 168 Cb 0.14 0.82 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 3kvn h VAL 168 CO -0.01 0.20 0.59 0.44 0.02 0.00 0.00 177.57 178.81 3kvn h ASP 169 N 0.48 0.79 -0.21 0.57 3.32 -0.86 0.25 116.42 120.76 3kvn h ASP 169 Ca 0.11 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3kvn h ASP 169 Cb 0.19 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3kvn h ASP 169 CO -0.00 0.35 0.02 0.28 -1.72 0.00 0.00 179.24 178.17 3kvn h SER 170 N 0.83 0.34 -0.47 6.45 0.02 -1.02 -1.11 113.55 118.59 3kvn h SER 170 Ca 0.52 -0.27 0.08 0.00 -0.84 0.00 0.00 61.79 61.28 3kvn h SER 170 Cb 0.69 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 3kvn h SER 170 CO -0.33 0.53 0.06 0.58 -1.14 0.00 0.00 176.83 176.52 3kvn h VAL 171 N 0.13 0.70 -0.27 2.27 2.07 -1.11 -1.87 116.25 118.17 3kvn h VAL 171 Ca 0.06 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3kvn h VAL 171 Cb 0.34 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3kvn h VAL 171 CO 0.01 0.03 -0.14 1.56 0.02 0.00 0.00 177.57 179.05 3kvn h GLN 172 N 0.18 0.45 -0.64 1.57 4.20 -0.83 -0.71 115.11 119.33 3kvn h GLN 172 Ca 0.23 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3kvn h GLN 172 Cb 0.32 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3kvn h GLN 172 CO -0.33 0.59 0.22 0.00 -0.67 0.00 0.00 178.83 178.63 3kvn h ALA 173 N 1.44 0.84 -0.24 3.87 0.00 -0.43 0.10 119.26 124.84 3kvn h ALA 173 Ca 0.08 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3kvn h ALA 173 Cb 0.49 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kvn h ALA 173 CO 0.03 0.50 -0.18 -0.07 0.00 0.00 0.00 179.25 179.53 3kvn h LEU 174 N 0.92 0.57 0.19 0.00 3.38 -0.94 -2.31 115.31 117.12 3kvn h LEU 174 Ca 0.21 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3kvn h LEU 174 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kvn h LEU 174 CO -0.01 0.90 -0.24 -0.61 0.09 0.00 0.00 178.44 178.58 3kvn h GLN 175 N 0.25 -0.46 -0.43 1.13 4.15 -0.99 0.98 115.11 119.75 3kvn h GLN 175 Ca 0.04 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.62 3kvn h GLN 175 Cb 0.72 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 3kvn h GLN 175 CO 0.05 -0.31 0.31 1.96 -1.93 0.00 0.00 178.83 178.91 3kvn h GLN 176 N -0.48 0.03 -0.00 1.69 4.20 -1.01 0.22 115.11 119.75 3kvn h GLN 176 Ca 0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kvn h GLN 176 Cb 0.47 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3kvn h GLN 176 CO -0.09 0.02 -0.02 0.00 -0.67 0.00 0.00 178.83 178.07 3kvn n ALA 177 N -2.61 2.66 0.00 3.87 0.00 -0.57 -4.91 120.51 118.95 3kvn n ALA 177 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3kvn n ALA 177 Cb 0.49 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3kvn n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvn n GLY 178 N 1.11 1.10 3.75 0.00 0.00 0.76 -0.68 105.19 111.24 3kvn n GLY 178 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3kvn n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvn s ALA 179 N -2.00 3.47 -0.08 4.61 0.00 0.24 -4.20 121.76 123.79 3kvn s ALA 179 Ca 0.00 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.05 3kvn s ALA 179 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3kvn s ALA 179 CO 0.00 -0.42 0.08 0.54 0.00 0.00 0.00 175.76 175.96 3kvn n ARG 180 N 1.58 5.14 -3.63 0.00 1.74 -1.26 -4.46 116.66 115.77 3kvn n ARG 180 Ca 0.02 -0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 3kvn n ARG 180 Cb 0.43 -0.69 -0.15 0.00 -1.02 0.00 0.00 32.46 31.04 3kvn n ARG 180 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kvn s TYR 181 N -1.38 -0.19 -0.17 -1.55 2.02 -1.26 -4.63 117.35 110.18 3kvn s TYR 181 Ca 0.01 0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 57.18 3kvn s TYR 181 Cb 0.02 -0.29 0.05 0.00 -0.40 0.00 0.00 41.96 41.33 3kvn s TYR 181 CO 0.09 -0.36 0.01 0.42 -1.57 0.00 0.00 175.55 174.14 3kvn s ILE 182 N 2.30 0.62 0.01 2.71 1.01 -0.70 -0.50 121.20 126.65 3kvn s ILE 182 Ca 0.04 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 3kvn s ILE 182 Cb -0.13 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 3kvn s ILE 182 CO -0.07 -0.07 0.94 -0.69 0.00 0.00 0.00 174.94 175.04 3kvn s VAL 183 N 1.83 4.84 -0.06 2.92 1.01 0.20 -0.72 120.40 130.42 3kvn s VAL 183 Ca 0.00 1.98 0.01 0.00 0.00 0.00 0.00 61.98 63.97 3kvn s VAL 183 Cb -0.16 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.96 3kvn s VAL 183 CO -0.07 0.20 -0.08 -0.69 0.00 0.00 0.00 175.10 174.46 3kvn s VAL 184 N 0.83 0.82 0.17 2.92 1.01 -0.46 -1.07 120.40 124.64 3kvn s VAL 184 Ca 0.49 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3kvn s VAL 184 Cb -0.21 -0.81 -0.08 0.00 0.00 0.00 0.00 36.38 35.28 3kvn s VAL 184 CO 0.27 0.30 1.12 0.26 0.00 0.00 0.00 175.10 177.04 3kvn s TRP 185 N 1.00 3.56 0.49 5.22 0.52 -1.06 -0.20 118.94 128.48 3kvn s TRP 185 Ca -0.09 1.56 -0.21 0.00 0.02 0.00 0.00 56.10 57.38 3kvn s TRP 185 Cb -0.14 -3.30 -0.07 0.00 -1.15 0.00 0.00 33.47 28.80 3kvn s TRP 185 CO -0.00 -0.72 1.09 -0.51 0.02 0.00 0.00 176.95 176.83 3kvn s LEU 186 N -0.29 3.87 0.24 2.99 1.02 -0.55 -4.85 118.68 121.12 3kvn s LEU 186 Ca 0.50 2.10 -0.30 0.00 0.02 0.00 0.00 54.13 56.45 3kvn s LEU 186 Cb -0.30 -4.47 -0.09 0.00 0.02 0.00 0.00 46.19 41.34 3kvn s LEU 186 CO 0.35 -0.93 1.35 -0.22 0.02 0.00 0.00 176.35 176.92 3kvn s LEU 187 N -3.43 4.41 0.86 1.79 2.96 -1.26 -4.56 118.68 119.45 3kvn s LEU 187 Ca 0.68 2.54 -0.12 0.00 -0.22 0.00 0.00 54.13 57.01 3kvn s LEU 187 Cb -0.22 -3.62 0.10 0.00 0.50 0.00 0.00 46.19 42.96 3kvn s LEU 187 CO 0.26 -0.58 1.12 -2.65 -1.32 0.00 0.00 176.35 173.18 3kvn n PRO 188 N 2.19 -0.10 -2.01 0.98 -0.02 -1.26 -4.57 135.00 130.21 3kvn n PRO 188 Ca 0.05 0.05 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 3kvn n PRO 188 Cb 0.42 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3kvn n PRO 188 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kvn s ASP 189 N -2.31 5.44 0.27 2.55 -1.08 -1.26 -4.85 116.67 115.43 3kvn s ASP 189 Ca 0.70 0.69 0.24 0.00 -0.52 0.00 0.00 52.55 53.66 3kvn s ASP 189 Cb -0.26 -2.53 1.00 0.00 -1.46 0.00 0.00 42.92 39.67 3kvn s ASP 189 CO 0.55 -2.18 1.72 0.18 0.52 0.00 0.00 175.17 175.96 3kvn n LEU 190 N 12.09 0.71 0.04 -1.34 4.77 -1.26 -0.64 117.00 131.37 3kvn n LEU 190 Ca 0.22 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.99 3kvn n LEU 190 Cb 0.51 -0.58 0.48 0.00 -2.33 0.00 0.00 43.42 41.49 3kvn n LEU 190 CO 0.70 -0.57 0.87 0.61 -1.33 0.00 0.00 177.39 177.67 3kvn n GLY 191 N 0.01 -1.38 2.61 -0.72 0.00 -1.26 -3.57 105.19 100.88 3kvn n GLY 191 Ca 0.02 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3kvn n GLY 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvn n LEU 192 N -1.76 6.08 -4.31 0.99 4.77 0.19 -3.59 117.00 119.37 3kvn n LEU 192 Ca 0.05 -4.96 -0.21 0.00 -0.03 0.00 0.00 56.01 50.86 3kvn n LEU 192 Cb 0.30 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.54 3kvn n LEU 192 CO 0.23 1.98 -0.48 0.42 -1.33 0.00 0.00 177.39 178.22 3kvn s THR 193 N -5.23 1.70 0.57 -5.08 -4.23 -1.23 -4.94 115.64 97.21 3kvn s THR 193 Ca 0.51 -1.86 0.27 0.00 -1.18 0.00 0.00 61.69 59.43 3kvn s THR 193 Cb 0.43 -1.77 0.38 0.00 1.34 0.00 0.00 72.50 72.88 3kvn s THR 193 CO -0.25 -0.33 2.01 -0.65 -0.54 0.00 0.00 174.62 174.85 3kvn h PRO 194 N 3.33 0.00 -0.74 3.99 0.11 -1.18 0.12 132.00 137.63 3kvn h PRO 194 Ca -0.42 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 3kvn h PRO 194 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3kvn h PRO 194 CO 0.51 0.00 0.42 0.00 -0.21 0.00 0.00 178.00 178.72 3kvn h ALA 195 N 1.66 1.01 0.00 -0.75 0.00 -1.73 -3.34 119.26 116.12 3kvn h ALA 195 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kvn h ALA 195 Cb 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kvn h ALA 195 CO -0.00 0.09 -0.71 0.25 0.00 0.00 0.00 179.25 178.88 3kvn n THR 196 N -4.75 0.00 -1.67 0.00 -2.24 -0.81 -4.98 114.28 99.82 3kvn n THR 196 Ca 0.10 -0.12 -0.45 0.00 -2.27 0.00 0.00 64.05 61.31 3kvn n THR 196 Cb 0.20 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 3kvn n THR 196 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3kvn n PHE 197 N -1.30 2.21 -0.77 4.78 7.35 0.35 -0.88 117.46 129.21 3kvn n PHE 197 Ca 0.00 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 3kvn n PHE 197 Cb 0.00 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.33 3kvn n PHE 197 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kvn n GLY 198 N 2.69 0.86 4.01 7.13 0.00 -1.26 -4.96 105.19 113.66 3kvn n GLY 198 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3kvn n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kvn s GLY 199 N -2.00 1.80 0.45 -0.02 0.00 -0.06 -5.01 107.32 102.48 3kvn s GLY 199 Ca 0.00 -1.85 0.29 0.00 0.00 0.00 0.00 44.72 43.16 3kvn s GLY 199 CO 0.00 -1.45 1.85 -0.56 0.00 0.00 0.00 173.10 172.94 3kvn h PRO 200 N 0.13 0.00 0.00 2.90 0.13 -1.94 -2.71 132.00 130.50 3kvn h PRO 200 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3kvn h PRO 200 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3kvn h PRO 200 CO 0.43 0.00 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.99 3kvn h LEU 201 N 0.00 0.00 -0.62 1.56 3.38 -1.96 -3.40 115.31 114.28 3kvn h LEU 201 Ca 0.00 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.06 3kvn h LEU 201 Cb 0.58 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 3kvn h LEU 201 CO 0.00 0.01 -0.27 -0.61 0.09 0.00 0.00 178.44 177.67 3kvn h GLN 202 N 0.00 -0.10 -0.21 1.13 4.15 -1.55 -0.30 115.11 118.24 3kvn h GLN 202 Ca 0.00 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 3kvn h GLN 202 Cb 0.83 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 3kvn h GLN 202 CO 0.00 -0.07 -0.37 -1.35 -1.93 0.00 0.00 178.83 175.12 3kvn h PRO 203 N -0.10 0.46 -0.05 -2.39 0.11 -1.82 0.22 132.00 128.43 3kvn h PRO 203 Ca 0.27 -0.22 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3kvn h PRO 203 Cb 0.53 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3kvn h PRO 203 CO -0.68 0.76 0.03 0.74 -0.21 0.00 0.00 178.00 178.64 3kvn h PHE 204 N 0.39 0.06 -0.47 0.65 0.04 -1.64 -0.05 116.94 115.92 3kvn h PHE 204 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3kvn h PHE 204 Cb 0.82 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 3kvn h PHE 204 CO 0.03 0.07 0.31 0.00 -0.60 0.00 0.00 178.31 178.12 3kvn h ALA 205 N 0.98 0.60 -0.45 2.45 0.00 -0.70 -0.45 119.26 121.70 3kvn h ALA 205 Ca 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3kvn h ALA 205 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kvn h ALA 205 CO -0.00 0.06 0.06 0.77 0.00 0.00 0.00 179.25 180.13 3kvn h SER 206 N 0.64 0.73 -0.25 0.00 0.02 -0.89 -1.75 113.55 112.05 3kvn h SER 206 Ca 0.17 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3kvn h SER 206 Cb -0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3kvn h SER 206 CO -0.04 0.82 0.11 -0.61 -1.14 0.00 0.00 176.83 175.97 3kvn h GLN 207 N 0.61 0.37 0.00 3.45 4.15 -0.63 -2.10 115.11 120.96 3kvn h GLN 207 Ca 0.13 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 3kvn h GLN 207 Cb 0.41 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3kvn h GLN 207 CO 0.01 0.40 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.84 3kvn h LEU 208 N 0.26 0.00 -0.28 -2.39 3.38 -1.10 -1.96 115.31 113.23 3kvn h LEU 208 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3kvn h LEU 208 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kvn h LEU 208 CO -0.01 0.40 0.11 0.28 0.09 0.00 0.00 178.44 179.32 3kvn h SER 209 N 0.00 0.38 -0.51 -0.43 0.02 -1.08 -1.94 113.55 109.99 3kvn h SER 209 Ca -0.00 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3kvn h SER 209 Cb 0.85 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 3kvn h SER 209 CO 0.05 0.44 0.29 1.23 -1.14 0.00 0.00 176.83 177.69 3kvn h GLY 210 N 0.30 0.72 0.99 -3.77 0.00 -0.83 -1.71 103.07 98.79 3kvn h GLY 210 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3kvn h GLY 210 CO -0.01 0.16 0.33 -0.84 0.00 0.00 0.00 176.54 176.18 3kvn h THR 211 N 0.56 1.19 -0.10 4.70 2.02 -1.28 -0.51 112.91 119.50 3kvn h THR 211 Ca 0.22 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.96 3kvn h THR 211 Cb 0.07 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3kvn h THR 211 CO -0.12 0.20 -0.14 0.15 0.37 0.00 0.00 175.52 175.99 3kvn h PHE 212 N 0.80 -0.34 -0.14 3.16 3.57 -1.03 -2.22 116.94 120.74 3kvn h PHE 212 Ca 0.21 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3kvn h PHE 212 Cb 0.04 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3kvn h PHE 212 CO -0.01 -0.20 -0.37 -0.91 -2.23 0.00 0.00 178.31 174.58 3kvn h ASN 213 N -0.18 0.30 -0.53 0.41 2.35 -0.91 -0.23 115.58 116.79 3kvn h ASN 213 Ca 0.08 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 3kvn h ASN 213 Cb 0.29 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3kvn h ASN 213 CO -0.20 0.66 -0.05 0.00 -1.65 0.00 0.00 177.43 176.18 3kvn h ALA 214 N 1.36 0.72 -0.24 -0.83 0.00 -0.91 0.90 119.26 120.25 3kvn h ALA 214 Ca 0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 3kvn h ALA 214 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kvn h ALA 214 CO 0.06 0.58 -0.39 0.93 0.00 0.00 0.00 179.25 180.43 3kvn h GLU 215 N 0.83 0.55 0.26 0.00 4.39 -1.22 -2.13 114.58 117.26 3kvn h GLU 215 Ca 0.14 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3kvn h GLU 215 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3kvn h GLU 215 CO 0.04 0.85 -0.12 1.25 -1.16 0.00 0.00 179.01 179.86 3kvn h LEU 216 N 0.45 -0.29 -0.85 1.33 5.85 -0.62 0.11 115.31 121.29 3kvn h LEU 216 Ca 0.04 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3kvn h LEU 216 Cb 0.88 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3kvn h LEU 216 CO 0.08 -0.05 -0.13 0.71 -0.34 0.00 0.00 178.44 178.71 3kvn h THR 217 N -0.54 1.26 -0.23 1.05 1.35 -0.88 -0.50 112.91 114.41 3kvn h THR 217 Ca -0.04 -1.17 -0.10 0.00 -0.55 0.00 0.00 66.41 64.55 3kvn h THR 217 Cb 0.40 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3kvn h THR 217 CO 0.06 0.39 -0.26 0.00 -0.25 0.00 0.00 175.52 175.46 3kvn h ALA 218 N 1.21 0.34 -0.22 6.62 0.00 -1.32 0.32 119.26 126.22 3kvn h ALA 218 Ca 0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3kvn h ALA 218 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kvn h ALA 218 CO 0.04 0.33 0.02 1.96 0.00 0.00 0.00 179.25 181.60 3kvn h GLN 219 N 0.28 0.37 -0.94 0.00 4.20 -0.64 -2.66 115.11 115.71 3kvn h GLN 219 Ca 0.03 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.68 3kvn h GLN 219 Cb 0.82 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.50 3kvn h GLN 219 CO 0.06 0.53 0.62 -0.07 -0.67 0.00 0.00 178.83 179.30 3kvn h LEU 220 N 0.15 1.01 -1.70 1.46 3.38 -1.08 0.78 115.31 119.31 3kvn h LEU 220 Ca 0.06 -0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.27 3kvn h LEU 220 Cb 0.35 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3kvn h LEU 220 CO 0.01 0.68 0.64 -1.28 0.09 0.00 0.00 178.44 178.57 3kvn h SER 221 N 1.16 0.24 -0.01 -0.43 0.87 -0.58 -1.74 113.55 113.06 3kvn h SER 221 Ca 0.38 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3kvn h SER 221 Cb 0.06 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3kvn h SER 221 CO -0.13 0.08 -0.37 0.00 -0.53 0.00 0.00 176.83 175.89 3kvn n GLN 222 N -4.42 2.00 0.16 2.24 6.02 -0.18 -4.42 117.38 118.78 3kvn n GLN 222 Ca 0.20 -0.57 0.02 0.00 -0.01 0.00 0.00 57.00 56.64 3kvn n GLN 222 Cb 0.86 -1.19 0.24 0.00 1.02 0.00 0.00 30.24 31.17 3kvn n GLN 222 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kvn h ALA 223 N 2.30 1.00 -0.31 -1.58 0.00 0.03 -3.47 119.26 117.23 3kvn h ALA 223 Ca 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 3kvn h ALA 223 Cb 0.44 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3kvn h ALA 223 CO 0.00 0.64 -0.12 0.41 0.00 0.00 0.00 179.25 180.18 3kvn n GLY 224 N 0.23 0.87 3.86 0.00 0.00 -1.24 -5.03 105.19 103.89 3kvn n GLY 224 Ca -0.01 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 3kvn n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvn s ALA 225 N -2.18 3.33 -1.26 4.61 0.00 -1.26 -4.99 121.76 120.01 3kvn s ALA 225 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 3kvn s ALA 225 Cb 0.00 -2.74 0.12 0.00 0.00 0.00 0.00 23.12 20.50 3kvn s ALA 225 CO 0.00 0.13 1.60 -1.71 0.00 0.00 0.00 175.76 175.78 3kvn n ASN 226 N -0.91 5.07 -4.70 0.00 5.15 -1.26 -4.97 115.26 113.63 3kvn n ASN 226 Ca 0.03 -2.95 -0.35 0.00 -0.60 0.00 0.00 54.58 50.71 3kvn n ASN 226 Cb 0.54 -1.66 -0.09 0.00 -0.53 0.00 0.00 39.78 38.04 3kvn n ASN 226 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kvn s VAL 227 N 2.94 5.11 -0.50 3.44 1.01 -1.26 -1.72 120.40 129.42 3kvn s VAL 227 Ca 0.49 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 3kvn s VAL 227 Cb 0.01 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.16 3kvn s VAL 227 CO 0.04 0.47 0.52 -0.63 0.00 0.00 0.00 175.10 175.51 3kvn s ILE 228 N 0.17 5.04 0.10 2.22 1.09 0.10 -4.50 121.20 125.42 3kvn s ILE 228 Ca 0.07 -0.81 -0.27 0.00 -1.10 0.00 0.00 60.65 58.54 3kvn s ILE 228 Cb -0.12 -4.23 -0.06 0.00 -1.06 0.00 0.00 42.46 36.99 3kvn s ILE 228 CO -0.00 -0.73 0.83 -2.16 -0.10 0.00 0.00 174.94 172.79 3kvn s PRO 229 N 2.16 4.59 -0.33 2.79 0.04 -1.26 -1.35 135.00 141.64 3kvn s PRO 229 Ca 0.10 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 3kvn s PRO 229 Cb -0.22 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 3kvn s PRO 229 CO 0.09 0.34 0.44 -0.51 0.04 0.00 0.00 177.00 177.40 3kvn s LEU 230 N -0.34 4.33 -1.38 -3.56 1.02 0.72 -4.91 118.68 114.55 3kvn s LEU 230 Ca 0.40 -0.03 -0.12 0.00 0.02 0.00 0.00 54.13 54.40 3kvn s LEU 230 Cb -0.22 -2.48 0.10 0.00 0.02 0.00 0.00 46.19 43.61 3kvn s LEU 230 CO 0.26 -0.38 2.08 -3.20 0.02 0.00 0.00 176.35 175.13 3kvn n ASN 231 N 5.54 4.59 -0.18 2.29 2.85 -1.26 -1.49 115.26 127.61 3kvn n ASN 231 Ca -0.07 -2.97 -0.04 0.00 -0.11 0.00 0.00 54.58 51.39 3kvn n ASN 231 Cb 0.49 -1.57 0.06 0.00 1.24 0.00 0.00 39.78 40.00 3kvn n ASN 231 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3kvn h ILE 232 N 3.83 0.99 -0.99 -1.44 1.08 -1.91 -1.84 117.51 117.23 3kvn h ILE 232 Ca 0.50 -0.20 0.05 0.00 -0.39 0.00 0.00 64.86 64.82 3kvn h ILE 232 Cb 0.62 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.68 3kvn h ILE 232 CO 1.76 0.10 0.64 -0.65 -0.69 0.00 0.00 178.15 179.31 3kvn h PRO 233 N 0.57 1.16 -0.28 2.37 0.11 -1.86 -0.17 132.00 133.90 3kvn h PRO 233 Ca 0.23 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 66.10 3kvn h PRO 233 Cb 0.11 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 3kvn h PRO 233 CO -0.14 0.77 -0.52 1.25 -0.21 0.00 0.00 178.00 179.14 3kvn h LEU 234 N 1.20 0.90 -0.49 2.35 5.85 -1.87 -1.84 115.31 121.41 3kvn h LEU 234 Ca 0.41 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3kvn h LEU 234 Cb 0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3kvn h LEU 234 CO -0.15 1.25 0.32 0.25 -0.34 0.00 0.00 178.44 179.77 3kvn h LEU 235 N 0.63 0.57 -0.44 2.25 5.85 -0.91 -1.80 115.31 121.45 3kvn h LEU 235 Ca 0.02 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kvn h LEU 235 Cb 1.11 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3kvn h LEU 235 CO 0.11 0.42 0.25 0.25 -0.34 0.00 0.00 178.44 179.13 3kvn h LEU 236 N 0.66 0.55 -0.89 2.25 6.46 -0.90 -0.10 115.31 123.35 3kvn h LEU 236 Ca 0.18 -0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.95 3kvn h LEU 236 Cb -0.07 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 39.65 3kvn h LEU 236 CO -0.04 0.47 0.54 0.11 -0.62 0.00 0.00 178.44 178.90 3kvn h LYS 237 N 0.58 0.88 -0.62 1.25 1.57 -1.07 0.11 116.57 119.28 3kvn h LYS 237 Ca 0.16 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3kvn h LYS 237 Cb 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3kvn h LYS 237 CO -0.03 0.59 0.02 0.93 -0.57 0.00 0.00 179.45 180.39 3kvn h GLU 238 N 0.91 1.08 -0.85 3.15 5.08 -0.70 -0.92 114.58 122.33 3kvn h GLU 238 Ca 0.42 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3kvn h GLU 238 Cb 0.33 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3kvn h GLU 238 CO -0.23 1.04 0.56 0.78 -1.00 0.00 0.00 179.01 180.16 3kvn h GLY 239 N 1.00 1.21 1.05 -3.84 0.00 -0.18 -1.20 103.07 101.11 3kvn h GLY 239 Ca 0.18 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 3kvn h GLY 239 CO 0.03 0.41 0.09 -0.33 0.00 0.00 0.00 176.54 176.74 3kvn h MET 240 N 1.13 1.03 0.00 4.80 2.86 -0.29 -0.23 114.93 124.24 3kvn h MET 240 Ca 0.32 -0.28 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 3kvn h MET 240 Cb -0.09 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 3kvn h MET 240 CO -0.08 0.97 -0.52 0.00 1.06 0.00 0.00 176.91 178.34 3kvn h ALA 241 N 1.02 0.94 -1.56 6.32 0.00 -0.99 -3.38 119.26 121.62 3kvn h ALA 241 Ca 0.19 -0.48 -0.48 0.00 0.00 0.00 0.00 54.91 54.14 3kvn h ALA 241 Cb 0.45 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 17.82 3kvn h ALA 241 CO 0.01 0.65 -0.98 -1.71 0.00 0.00 0.00 179.25 177.23 3kvn n ASN 242 N -3.63 -0.42 -0.32 0.00 2.85 -0.47 -5.01 115.26 108.26 3kvn n ASN 242 Ca -0.01 -2.88 -0.02 0.00 -0.11 0.00 0.00 54.58 51.57 3kvn n ASN 242 Cb 0.59 -0.09 0.13 0.00 1.24 0.00 0.00 39.78 41.65 3kvn n ASN 242 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kvn h PRO 243 N 3.86 1.22 0.00 1.20 0.11 -1.23 -2.17 132.00 134.99 3kvn h PRO 243 Ca 0.03 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3kvn h PRO 243 Cb 0.93 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 3kvn h PRO 243 CO 0.43 0.85 -0.01 0.00 -0.21 0.00 0.00 178.00 179.06 3kvn h ALA 244 N 1.36 1.81 0.00 -0.75 0.00 -1.85 0.63 119.26 120.46 3kvn h ALA 244 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kvn h ALA 244 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kvn h ALA 244 CO -0.06 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.87 3kvn h SER 245 N 0.00 0.00 -0.10 0.00 4.64 -1.70 -2.14 113.55 114.26 3kvn h SER 245 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kvn h SER 245 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3kvn h SER 245 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3kvn n PHE 246 N -2.72 0.10 -0.86 4.77 3.01 0.06 -4.25 117.46 117.58 3kvn n PHE 246 Ca 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.41 3kvn n PHE 246 Cb 0.28 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 3kvn n PHE 246 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kvn n GLY 247 N 1.09 0.60 3.88 1.37 0.00 -0.80 -4.63 105.19 106.70 3kvn n GLY 247 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3kvn n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvn s LEU 248 N 0.00 3.84 0.08 0.99 1.43 -0.31 -4.53 118.68 120.19 3kvn s LEU 248 Ca 0.00 1.03 -0.31 0.00 -1.03 0.00 0.00 54.13 53.82 3kvn s LEU 248 Cb 0.00 -3.91 -0.07 0.00 0.03 0.00 0.00 46.19 42.24 3kvn s LEU 248 CO 0.00 -0.39 1.45 0.00 0.23 0.00 0.00 176.35 177.64 3kvn s ALA 249 N -2.37 3.62 -0.71 4.21 0.00 -0.48 -3.30 121.76 122.73 3kvn s ALA 249 Ca 0.49 1.09 0.26 0.00 0.00 0.00 0.00 51.96 53.80 3kvn s ALA 249 Cb -0.10 -3.59 0.69 0.00 0.00 0.00 0.00 23.12 20.12 3kvn s ALA 249 CO 0.33 -0.79 1.66 0.00 0.00 0.00 0.00 175.76 176.96 3kvn n ALA 250 N 4.63 2.45 -0.44 0.00 0.00 -1.26 -3.49 120.51 122.39 3kvn n ALA 250 Ca 0.13 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3kvn n ALA 250 Cb 0.42 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.80 3kvn n ALA 250 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kvn n ASP 251 N -2.22 4.12 -4.64 0.00 5.75 -1.26 -4.99 116.55 113.30 3kvn n ASP 251 Ca 0.05 -2.14 -0.24 0.00 -0.01 0.00 0.00 54.79 52.46 3kvn n ASP 251 Cb 0.43 -0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 39.95 3kvn n ASP 251 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3kvn s GLN 252 N -1.26 2.27 -0.84 0.11 -1.52 -1.23 -5.06 119.66 112.13 3kvn s GLN 252 Ca 0.48 -1.38 -0.22 0.00 -1.95 0.00 0.00 55.36 52.29 3kvn s GLN 252 Cb 0.27 -2.17 0.08 0.00 -0.22 0.00 0.00 33.01 30.97 3kvn s GLN 252 CO 0.29 0.38 1.16 1.21 -0.25 0.00 0.00 175.29 178.09 3kvn s ASN 253 N -3.53 6.41 0.14 5.90 2.47 -1.26 -4.87 114.94 120.20 3kvn s ASN 253 Ca 0.30 -1.42 0.25 0.00 0.42 0.00 0.00 52.86 52.42 3kvn s ASN 253 Cb -0.07 -2.46 0.64 0.00 -1.45 0.00 0.00 41.25 37.91 3kvn s ASN 253 CO 0.19 -1.36 1.58 0.18 -3.72 0.00 0.00 177.10 173.97 3kvn n LEU 254 N 7.72 0.69 -0.06 3.21 4.77 -1.26 -2.40 117.00 129.67 3kvn n LEU 254 Ca 0.15 0.39 -0.06 0.00 -0.03 0.00 0.00 56.01 56.46 3kvn n LEU 254 Cb 0.48 -0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 41.15 3kvn n LEU 254 CO 0.60 -0.10 -0.86 -0.38 -1.33 0.00 0.00 177.39 175.32 3kvn n ILE 255 N -2.10 1.26 0.87 -0.08 2.08 -1.26 -4.36 119.36 115.76 3kvn n ILE 255 Ca 0.05 -0.78 0.10 0.00 0.56 0.00 0.00 62.75 62.67 3kvn n ILE 255 Cb 0.42 -0.57 0.05 0.00 -0.75 0.00 0.00 39.64 38.79 3kvn n ILE 255 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kvn n GLY 256 N 1.61 0.39 3.24 7.39 0.00 -1.22 -1.85 105.19 114.75 3kvn n GLY 256 Ca -0.23 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 3kvn n GLY 256 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvn s THR 257 N -1.93 1.28 0.34 2.61 -4.23 -1.01 -4.39 115.64 108.32 3kvn s THR 257 Ca 0.21 -1.77 0.03 0.00 -1.18 0.00 0.00 61.69 58.98 3kvn s THR 257 Cb 0.17 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 3kvn s THR 257 CO 0.36 -0.48 0.09 0.00 -0.54 0.00 0.00 174.62 174.05 3kvn h PHE 259 N 2.05 0.78 0.00 0.00 3.57 -1.00 0.49 116.94 122.83 3kvn h PHE 259 Ca -0.38 -0.57 -0.28 0.00 3.53 0.00 0.00 57.97 60.27 3kvn h PHE 259 Cb 1.26 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 3kvn h PHE 259 CO 0.91 1.54 -1.65 0.66 -2.23 0.00 0.00 178.31 177.54 3kvn h SER 260 N -0.02 0.00 0.00 0.41 4.64 -1.18 0.45 113.55 117.86 3kvn h SER 260 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3kvn h SER 260 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 3kvn h SER 260 CO 0.20 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 3kvn n GLY 261 N 1.53 1.16 3.55 -0.77 0.00 -1.26 -4.82 105.19 104.58 3kvn n GLY 261 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3kvn n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kvn s ASN 262 N -3.10 5.93 -0.08 1.61 -0.87 -1.26 -3.56 114.94 113.60 3kvn s ASN 262 Ca 0.00 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.02 3kvn s ASN 262 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 3kvn s ASN 262 CO 0.00 -1.98 0.00 0.61 -2.57 0.00 0.00 177.10 173.16 3kvn n GLY 263 N 5.51 0.40 3.56 0.66 0.00 -1.26 -3.64 105.19 110.43 3kvn n GLY 263 Ca 0.09 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 3kvn n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvn s THR 265 N -2.42 3.88 0.09 0.00 2.01 -1.26 -4.29 115.64 113.64 3kvn s THR 265 Ca 0.06 0.86 -0.34 0.00 0.31 0.00 0.00 61.69 62.57 3kvn s THR 265 Cb -0.01 -4.28 -0.14 0.00 0.01 0.00 0.00 72.50 68.08 3kvn s THR 265 CO -0.06 -0.88 1.61 0.80 -0.69 0.00 0.00 174.62 175.40 3kvn n MET 266 N 8.24 2.00 -1.68 4.92 1.56 -1.26 -1.39 117.12 129.51 3kvn n MET 266 Ca 0.15 0.72 -0.44 0.00 -0.27 0.00 0.00 57.70 57.86 3kvn n MET 266 Cb 0.48 -2.49 -0.04 0.00 2.15 0.00 0.00 33.22 33.33 3kvn n MET 266 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 3kvn n ASN 267 N 3.95 3.76 0.11 6.12 2.85 0.17 -4.77 115.26 127.46 3kvn n ASN 267 Ca 0.18 0.99 0.03 0.00 -0.11 0.00 0.00 54.58 55.67 3kvn n ASN 267 Cb 0.27 -1.48 0.42 0.00 1.24 0.00 0.00 39.78 40.24 3kvn n ASN 267 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kvn h PRO 268 N 8.60 0.27 0.06 1.20 0.11 -1.90 0.16 132.00 140.49 3kvn h PRO 268 Ca -0.47 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 65.33 3kvn h PRO 268 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3kvn h PRO 268 CO 0.94 0.33 -1.43 1.15 -0.21 0.00 0.00 178.00 178.78 3kvn h THR 269 N 0.26 0.91 -0.06 -1.15 2.02 -1.92 -1.82 112.91 111.15 3kvn h THR 269 Ca 0.06 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.96 3kvn h THR 269 Cb 0.25 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3kvn h THR 269 CO 0.01 0.56 0.00 -1.22 0.37 0.00 0.00 175.52 175.24 3kvn n TYR 270 N -4.08 0.07 -1.14 3.16 4.01 -1.24 -0.45 117.16 117.49 3kvn n TYR 270 Ca -0.29 -0.10 -0.29 0.00 -0.16 0.00 0.00 57.90 57.06 3kvn n TYR 270 Cb 0.82 -0.01 0.18 0.00 -0.31 0.00 0.00 39.34 40.02 3kvn n TYR 270 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3kvn s GLY 271 N -0.76 1.57 0.43 2.72 0.00 0.04 -0.68 107.32 110.64 3kvn s GLY 271 Ca 0.11 -0.32 0.12 0.00 0.00 0.00 0.00 44.72 44.63 3kvn s GLY 271 CO 0.11 0.29 2.00 1.19 0.00 0.00 0.00 173.10 176.69 3kvn h ILE 272 N -1.91 0.95 -0.25 0.90 2.10 -0.35 -0.53 117.51 118.42 3kvn h ILE 272 Ca -0.54 -0.15 -0.07 0.00 1.08 0.00 0.00 64.86 65.17 3kvn h ILE 272 Cb 1.33 0.47 -0.04 0.00 -1.09 0.00 0.00 36.82 37.48 3kvn h ILE 272 CO 0.57 0.08 -0.06 0.59 -1.08 0.00 0.00 178.15 178.25 3kvn n ASN 273 N -4.47 2.98 -4.20 2.19 3.02 -1.26 -4.79 115.26 108.72 3kvn n ASN 273 Ca 0.08 -3.38 -0.30 0.00 -0.03 0.00 0.00 54.58 50.95 3kvn n ASN 273 Cb 0.29 -0.57 0.18 0.00 -0.61 0.00 0.00 39.78 39.07 3kvn n ASN 273 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kvn s GLY 274 N -2.38 1.76 0.29 7.41 0.00 -0.21 -4.97 107.32 109.21 3kvn s GLY 274 Ca 0.41 -1.14 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 3kvn s GLY 274 CO 0.03 -0.39 1.94 1.48 0.00 0.00 0.00 173.10 176.16 3kvn h SER 275 N -1.62 0.98 -2.39 1.64 4.64 -1.22 -3.34 113.55 112.24 3kvn h SER 275 Ca -0.45 -0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.24 3kvn h SER 275 Cb 1.25 -0.25 -0.39 0.00 -0.31 0.00 0.00 62.40 62.70 3kvn h SER 275 CO 0.41 0.73 -0.92 0.35 -0.87 0.00 0.00 176.83 176.52 3kvn n THR 276 N -4.39 -0.52 -1.70 2.95 -2.24 0.40 -5.06 114.28 103.73 3kvn n THR 276 Ca 0.09 -3.84 -0.44 0.00 -2.27 0.00 0.00 64.05 57.59 3kvn n THR 276 Cb 0.05 -1.81 -0.03 0.00 -2.10 0.00 0.00 70.33 66.43 3kvn n THR 276 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kvn n PRO 277 N 2.33 2.38 -3.15 -0.78 -0.02 -1.25 -4.27 135.00 130.24 3kvn n PRO 277 Ca 0.27 0.85 0.04 0.00 -2.02 0.00 0.00 63.50 62.64 3kvn n PRO 277 Cb 0.47 -2.61 -0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3kvn n PRO 277 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kvn s ASP 278 N 0.71 -1.40 0.40 2.55 -1.08 0.14 -4.98 116.67 113.01 3kvn s ASP 278 Ca 0.72 0.40 0.18 0.00 -0.52 0.00 0.00 52.55 53.33 3kvn s ASP 278 Cb -0.59 1.99 0.83 0.00 -1.46 0.00 0.00 42.92 43.68 3kvn s ASP 278 CO 0.42 -0.26 1.83 -0.65 0.52 0.00 0.00 175.17 177.03 3kvn h PRO 279 N 7.94 0.00 0.00 4.34 0.11 -1.93 -2.36 132.00 140.10 3kvn h PRO 279 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3kvn h PRO 279 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kvn h PRO 279 CO 0.15 0.34 0.00 0.66 -0.21 0.00 0.00 178.00 178.94 3kvn h SER 280 N 0.00 0.00 0.49 -2.05 4.64 -1.95 -1.76 113.55 112.92 3kvn h SER 280 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kvn h SER 280 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3kvn h SER 280 CO 0.04 0.00 -0.19 0.29 -0.87 0.00 0.00 176.83 176.10 3kvn n LYS 281 N -2.58 0.43 -4.50 4.77 4.76 -0.89 -4.55 118.16 115.60 3kvn n LYS 281 Ca 0.00 -0.17 -0.25 0.00 -2.87 0.00 0.00 58.31 55.02 3kvn n LYS 281 Cb 0.18 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.78 3kvn n LYS 281 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kvn s LEU 282 N -2.68 2.70 -0.20 -0.35 1.43 -0.66 -1.38 118.68 117.53 3kvn s LEU 282 Ca 0.22 -1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 3kvn s LEU 282 Cb 0.19 -1.06 -0.20 0.00 0.03 0.00 0.00 46.19 45.15 3kvn s LEU 282 CO 0.54 -0.11 0.09 -0.11 0.23 0.00 0.00 176.35 176.99 3kvn n LEU 283 N -0.74 2.25 -4.70 1.79 7.94 -1.26 -4.57 117.00 117.71 3kvn n LEU 283 Ca -0.05 0.27 -0.35 0.00 -1.11 0.00 0.00 56.01 54.77 3kvn n LEU 283 Cb 0.62 -0.98 -0.09 0.00 0.53 0.00 0.00 43.42 43.51 3kvn n LEU 283 CO 0.41 0.59 -0.21 -0.36 -1.11 0.00 0.00 177.39 176.72 3kvn s PHE 284 N -2.47 3.35 -0.04 1.96 0.08 -1.26 -0.64 117.98 118.97 3kvn s PHE 284 Ca -0.30 0.24 -0.21 0.00 0.12 0.00 0.00 56.93 56.78 3kvn s PHE 284 Cb 0.08 -2.12 -0.32 0.00 -0.57 0.00 0.00 43.02 40.09 3kvn s PHE 284 CO 0.63 0.25 0.91 -0.97 -0.10 0.00 0.00 175.22 175.93 3kvn h ASN 285 N 6.62 0.50 0.00 1.36 -1.24 0.15 -0.89 115.58 122.09 3kvn h ASN 285 Ca -0.40 -0.95 0.00 0.00 0.71 0.00 0.00 56.30 55.66 3kvn h ASN 285 Cb 1.16 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.05 3kvn h ASN 285 CO 0.73 1.41 0.00 -0.90 -1.29 0.00 0.00 177.43 177.39 3kvn n ASP 286 N -4.10 0.00 0.25 1.15 5.68 -1.18 -0.70 116.55 117.65 3kvn n ASP 286 Ca -0.14 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.28 3kvn n ASP 286 Cb 0.84 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.39 3kvn n ASP 286 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kvn h SER 287 N 0.00 0.00 0.00 -1.12 4.64 -1.80 -3.37 113.55 111.90 3kvn h SER 287 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kvn h SER 287 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kvn h SER 287 CO 0.00 0.14 -0.12 1.33 -0.87 0.00 0.00 176.83 177.31 3kvn n VAL 288 N -3.32 0.00 -3.52 0.95 0.24 -1.26 -2.12 118.33 109.30 3kvn n VAL 288 Ca 0.00 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.34 61.90 3kvn n VAL 288 Cb 0.37 0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 33.03 3kvn n VAL 288 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3kvn s HIS 289 N -0.30 3.54 0.38 6.34 3.76 -1.26 -4.98 115.29 122.78 3kvn s HIS 289 Ca 0.00 0.73 -0.25 0.00 -0.15 0.00 0.00 55.06 55.39 3kvn s HIS 289 Cb 0.00 -2.33 -0.09 0.00 1.11 0.00 0.00 32.58 31.27 3kvn s HIS 289 CO 0.00 0.36 1.12 -2.14 -0.85 0.00 0.00 174.74 173.23 3kvn s PRO 290 N 0.01 4.18 1.22 8.40 0.02 -1.26 0.79 135.00 148.36 3kvn s PRO 290 Ca 0.20 1.72 -0.19 0.00 0.02 0.00 0.00 61.00 62.75 3kvn s PRO 290 Cb -0.14 -2.71 0.29 0.00 0.02 0.00 0.00 34.50 31.96 3kvn s PRO 290 CO 0.07 -0.18 1.07 0.95 -0.33 0.00 0.00 177.00 178.58 3kvn s THR 291 N -1.46 1.61 0.31 0.99 -4.23 0.19 -4.48 115.64 108.56 3kvn s THR 291 Ca 0.55 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.14 3kvn s THR 291 Cb -0.28 -2.38 0.31 0.00 1.34 0.00 0.00 72.50 71.49 3kvn s THR 291 CO 0.35 0.00 1.68 -0.29 -0.54 0.00 0.00 174.62 175.82 3kvn h ILE 292 N -2.66 0.38 -0.53 2.99 6.09 -1.89 -0.19 117.51 121.70 3kvn h ILE 292 Ca -0.47 -0.12 -0.07 0.00 -1.37 0.00 0.00 64.86 62.83 3kvn h ILE 292 Cb 1.31 0.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.58 3kvn h ILE 292 CO 0.37 0.06 0.04 0.74 -3.07 0.00 0.00 178.15 176.30 3kvn h THR 293 N 0.35 1.26 -0.32 2.19 2.02 -1.81 -0.59 112.91 116.01 3kvn h THR 293 Ca 0.63 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 3kvn h THR 293 Cb 1.30 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 3kvn h THR 293 CO -0.58 0.37 -0.12 1.23 0.37 0.00 0.00 175.52 176.78 3kvn h GLY 294 N 0.78 0.59 1.14 2.16 0.00 -1.51 -1.71 103.07 104.52 3kvn h GLY 294 Ca 0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3kvn h GLY 294 CO 0.02 0.39 0.01 1.46 0.00 0.00 0.00 176.54 178.41 3kvn h GLN 295 N 0.51 1.04 -0.43 4.80 1.08 -0.55 -1.99 115.11 119.56 3kvn h GLN 295 Ca 0.09 -0.32 -0.14 0.00 -1.45 0.00 0.00 58.65 56.83 3kvn h GLN 295 Cb 0.51 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3kvn h GLN 295 CO 0.03 1.01 -0.28 0.00 -0.95 0.00 0.00 178.83 178.64 3kvn h ARG 296 N 0.95 0.94 -0.57 1.46 3.08 -0.96 -2.02 114.38 117.25 3kvn h ARG 296 Ca 0.17 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.81 3kvn h ARG 296 Cb 0.54 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3kvn h ARG 296 CO 0.03 1.09 0.37 -0.07 -1.07 0.00 0.00 179.97 180.32 3kvn h LEU 297 N 0.79 0.62 -0.44 3.04 4.07 -1.17 0.29 115.31 122.51 3kvn h LEU 297 Ca 0.09 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.96 3kvn h LEU 297 Cb 0.85 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 3kvn h LEU 297 CO 0.08 0.44 -0.06 0.40 -1.08 0.00 0.00 178.44 178.22 3kvn h ILE 298 N 0.74 1.27 -0.03 1.22 2.04 -1.22 0.79 117.51 122.32 3kvn h ILE 298 Ca 0.22 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3kvn h ILE 298 Cb -0.04 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3kvn h ILE 298 CO -0.07 0.39 0.01 0.00 0.00 0.00 0.00 178.15 178.48 3kvn h ALA 299 N 0.88 0.04 -0.63 1.87 0.00 -1.03 -1.93 119.26 118.46 3kvn h ALA 299 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kvn h ALA 299 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3kvn h ALA 299 CO 0.03 -0.37 0.24 -0.44 0.00 0.00 0.00 179.25 178.71 3kvn h ASP 300 N -0.12 0.85 0.12 0.00 3.32 -0.38 0.26 116.42 120.47 3kvn h ASP 300 Ca 0.01 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3kvn h ASP 300 Cb 0.18 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3kvn h ASP 300 CO -0.00 0.78 -0.06 0.22 -1.72 0.00 0.00 179.24 178.46 3kvn h TYR 301 N 0.91 -0.14 -0.59 4.55 3.20 -0.77 -0.22 116.97 123.91 3kvn h TYR 301 Ca 0.21 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3kvn h TYR 301 Cb 0.20 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3kvn h TYR 301 CO 0.01 -0.04 0.33 1.15 -1.64 0.00 0.00 178.16 177.97 3kvn h THR 302 N -0.21 1.19 -0.75 1.81 2.02 -1.04 -2.58 112.91 113.35 3kvn h THR 302 Ca -0.02 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 3kvn h THR 302 Cb 0.16 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 3kvn h THR 302 CO 0.03 0.20 0.42 0.22 0.37 0.00 0.00 175.52 176.76 3kvn h TYR 303 N 0.80 1.02 -0.58 3.16 3.20 -0.75 -1.18 116.97 122.63 3kvn h TYR 303 Ca 0.21 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3kvn h TYR 303 Cb 0.04 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 3kvn h TYR 303 CO -0.01 0.70 0.13 0.66 -1.64 0.00 0.00 178.16 178.00 3kvn h SER 304 N 1.05 0.85 -0.23 -2.11 4.64 -0.64 0.13 113.55 117.23 3kvn h SER 304 Ca 0.27 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3kvn h SER 304 Cb 0.01 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3kvn h SER 304 CO -0.05 0.83 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.51 3kvn h LEU 305 N 0.86 0.55 -1.08 5.97 4.07 -1.22 -3.07 115.31 121.39 3kvn h LEU 305 Ca 0.19 -0.45 -0.09 0.00 0.08 0.00 0.00 57.88 57.61 3kvn h LEU 305 Cb 0.32 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 3kvn h LEU 305 CO 0.00 0.88 -0.41 -0.07 -1.08 0.00 0.00 178.44 177.75 3kvn h LEU 306 N 0.22 0.00 -0.09 1.67 4.07 -0.71 -3.13 115.31 117.35 3kvn h LEU 306 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3kvn h LEU 306 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3kvn h LEU 306 CO 0.05 0.41 -0.55 -1.54 -1.08 0.00 0.00 178.44 175.73 3kvn n SER 307 N -3.79 0.69 0.08 -0.43 3.41 0.41 -4.21 113.62 109.78 3kvn n SER 307 Ca -0.01 -0.49 -0.12 0.00 -0.26 0.00 0.00 58.87 57.99 3kvn n SER 307 Cb 0.48 0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.74 3kvn n SER 307 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kvn h ALA 308 N 3.11 -0.18 0.00 7.33 0.00 -1.47 -2.51 119.26 125.55 3kvn h ALA 308 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kvn h ALA 308 Cb 0.51 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kvn h ALA 308 CO 0.00 -0.62 -0.04 -1.00 0.00 0.00 0.00 179.25 177.59 3kvn h PRO 309 N -0.22 0.00 0.00 0.00 0.13 -1.78 -0.99 132.00 129.14 3kvn h PRO 309 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3kvn h PRO 309 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 3kvn h PRO 309 CO -0.06 0.04 0.00 -1.49 -0.23 0.00 0.00 178.00 176.25 3kvn h TRP 310 N 0.00 0.00 0.00 1.56 6.55 -1.64 -2.54 115.95 119.88 3kvn h TRP 310 Ca -0.00 0.00 -0.36 0.00 0.95 0.00 0.00 58.89 59.48 3kvn h TRP 310 Cb 0.24 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.49 3kvn h TRP 310 CO 0.00 0.00 -2.20 0.39 -1.05 0.00 0.00 178.44 175.58 3kvn n GLU 311 N -2.79 0.46 0.07 0.49 1.02 -0.54 -0.86 120.64 118.49 3kvn n GLU 311 Ca 0.01 0.20 0.20 0.00 -0.02 0.00 0.00 57.16 57.54 3kvn n GLU 311 Cb 0.24 -1.27 0.74 0.00 -0.02 0.00 0.00 31.44 31.14 3kvn n GLU 311 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3kvn h LEU 312 N -0.74 0.00 -0.10 -4.62 -0.00 -1.24 0.98 115.31 109.58 3kvn h LEU 312 Ca -0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 3kvn h LEU 312 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.15 3kvn h LEU 312 CO -0.32 0.00 -0.16 1.07 -0.00 0.00 0.00 178.44 179.03 3kvn n THR 313 N -4.02 0.00 0.65 0.22 5.66 -0.96 -2.53 114.28 113.29 3kvn n THR 313 Ca 0.07 -0.03 0.13 0.00 -3.05 0.00 0.00 64.05 61.17 3kvn n THR 313 Cb 0.55 -0.16 0.37 0.00 -1.55 0.00 0.00 70.33 69.54 3kvn n THR 313 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3kvn n LEU 314 N -1.24 0.74 -0.05 1.09 4.32 0.34 -4.23 117.00 117.96 3kvn n LEU 314 Ca 0.10 0.49 -0.10 0.00 -0.02 0.00 0.00 56.01 56.48 3kvn n LEU 314 Cb 0.31 -0.30 -0.04 0.00 -1.62 0.00 0.00 43.42 41.77 3kvn n LEU 314 CO 0.27 -0.14 0.92 -0.07 -1.22 0.00 0.00 177.39 177.15 3kvn h LEU 315 N 0.00 0.25 -1.92 2.23 3.38 -1.59 -1.51 115.31 116.15 3kvn h LEU 315 Ca 0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3kvn h LEU 315 Cb 0.72 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3kvn h LEU 315 CO 0.00 0.25 0.08 -0.65 0.09 0.00 0.00 178.44 178.21 3kvn h PRO 316 N 0.24 0.11 0.00 1.13 0.11 -1.80 -2.18 132.00 129.61 3kvn h PRO 316 Ca 0.07 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3kvn h PRO 316 Cb 0.05 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 3kvn h PRO 316 CO -0.01 0.07 -0.14 0.93 -0.21 0.00 0.00 178.00 178.64 3kvn h GLU 317 N 0.11 0.00 -0.28 1.05 4.39 -1.50 -1.48 114.58 116.86 3kvn h GLU 317 Ca 0.05 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 3kvn h GLU 317 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3kvn h GLU 317 CO -0.01 0.14 -0.13 0.52 -1.16 0.00 0.00 179.01 178.37 3kvn h MET 318 N 0.00 0.59 -0.36 2.33 2.86 -0.74 -1.40 114.93 118.21 3kvn h MET 318 Ca -0.00 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.25 3kvn h MET 318 Cb 0.72 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3kvn h MET 318 CO 0.02 0.82 -0.28 0.00 1.06 0.00 0.00 176.91 178.53 3kvn h ALA 319 N 0.75 0.52 -0.95 6.32 0.00 -1.42 -0.80 119.26 123.68 3kvn h ALA 319 Ca 0.06 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.62 3kvn h ALA 319 Cb 0.64 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3kvn h ALA 319 CO 0.04 0.54 0.62 0.45 0.00 0.00 0.00 179.25 180.90 3kvn h HIS 320 N 0.62 1.12 0.17 0.00 -0.00 -1.30 0.18 115.15 115.94 3kvn h HIS 320 Ca 0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 3kvn h HIS 320 Cb 0.86 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 3kvn h HIS 320 CO 0.06 0.61 -0.08 0.78 -0.00 0.00 0.00 177.93 179.30 3kvn h GLY 321 N 1.12 -0.23 1.66 2.45 0.00 -0.78 -0.95 103.07 106.35 3kvn h GLY 321 Ca 0.40 0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.70 3kvn h GLY 321 CO -0.14 -0.09 -0.38 -0.91 0.00 0.00 0.00 176.54 175.02 3kvn h THR 322 N -0.24 1.30 -0.57 4.70 1.35 -0.89 -2.15 112.91 116.41 3kvn h THR 322 Ca -0.02 -1.48 -0.01 0.00 -0.55 0.00 0.00 66.41 64.35 3kvn h THR 322 Cb 0.18 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 3kvn h THR 322 CO 0.04 0.45 0.32 0.25 -0.25 0.00 0.00 175.52 176.33 3kvn h LEU 323 N 0.32 0.71 -0.79 3.87 5.85 -0.52 -0.79 115.31 123.95 3kvn h LEU 323 Ca 0.03 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 3kvn h LEU 323 Cb 0.81 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3kvn h LEU 323 CO 0.06 0.59 -0.59 0.03 -0.34 0.00 0.00 178.44 178.19 3kvn h ARG 324 N 0.77 0.05 -0.18 1.25 3.08 -0.96 -0.88 114.38 117.50 3kvn h ARG 324 Ca 0.20 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 3kvn h ARG 324 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3kvn h ARG 324 CO -0.03 0.63 -0.44 0.00 -1.07 0.00 0.00 179.97 179.05 3kvn h ALA 325 N 1.37 0.30 -0.40 0.04 0.00 -1.19 -0.90 119.26 118.47 3kvn h ALA 325 Ca -0.01 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.51 3kvn h ALA 325 Cb 1.05 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3kvn h ALA 325 CO 0.08 0.43 -0.03 -0.92 0.00 0.00 0.00 179.25 178.81 3kvn h TYR 326 N 0.29 -0.07 -0.57 0.00 3.20 -1.00 -0.94 116.97 117.88 3kvn h TYR 326 Ca -0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3kvn h TYR 326 Cb 1.05 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 3kvn h TYR 326 CO 0.09 -0.11 0.05 1.96 -1.64 0.00 0.00 178.16 178.51 3kvn h GLN 327 N 0.07 0.95 -0.69 1.82 4.20 -1.09 -2.31 115.11 118.07 3kvn h GLN 327 Ca 0.19 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3kvn h GLN 327 Cb 0.28 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3kvn h GLN 327 CO -0.35 0.91 0.35 -0.44 -0.67 0.00 0.00 178.83 178.64 3kvn h ASP 328 N 0.89 0.87 -0.05 1.46 3.32 -0.60 -0.48 116.42 121.83 3kvn h ASP 328 Ca 0.17 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 3kvn h ASP 328 Cb 0.46 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kvn h ASP 328 CO 0.02 0.72 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.79 3kvn h GLU 329 N 0.97 0.56 -0.27 3.56 4.81 -0.77 -1.20 114.58 122.22 3kvn h GLU 329 Ca 0.24 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3kvn h GLU 329 Cb 0.06 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3kvn h GLU 329 CO -0.04 0.85 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.85 3kvn h LEU 330 N 0.46 0.63 -1.35 1.64 4.07 -1.03 -2.95 115.31 116.78 3kvn h LEU 330 Ca 0.04 -0.43 -0.04 0.00 0.08 0.00 0.00 57.88 57.54 3kvn h LEU 330 Cb 0.88 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 3kvn h LEU 330 CO 0.07 0.92 0.04 -0.09 -1.08 0.00 0.00 178.44 178.31 3kvn h ARG 331 N 0.34 0.47 -0.77 1.13 2.43 -0.87 -1.43 114.38 115.69 3kvn h ARG 331 Ca 0.06 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3kvn h ARG 331 Cb 0.71 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 3kvn h ARG 331 CO 0.05 0.47 0.41 1.03 -1.51 0.00 0.00 179.97 180.42 3kvn h SER 332 N 0.46 0.97 -0.61 -3.80 0.87 -1.13 0.22 113.55 110.52 3kvn h SER 332 Ca 0.11 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3kvn h SER 332 Cb 0.24 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3kvn h SER 332 CO 0.00 0.79 0.22 1.56 -0.53 0.00 0.00 176.83 178.87 3kvn h GLN 333 N 1.06 0.93 -0.52 2.24 1.08 -1.13 -1.73 115.11 117.05 3kvn h GLN 333 Ca 0.27 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 3kvn h GLN 333 Cb 0.05 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3kvn h GLN 333 CO -0.04 0.81 0.01 -1.49 -0.95 0.00 0.00 178.83 177.17 3kvn h TRP 334 N 0.86 0.93 -0.16 2.96 6.55 -0.59 -0.75 115.95 125.75 3kvn h TRP 334 Ca 0.20 -0.14 -0.15 0.00 0.95 0.00 0.00 58.89 59.75 3kvn h TRP 334 Cb 0.25 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 3kvn h TRP 334 CO 0.02 0.85 -0.54 1.96 -1.05 0.00 0.00 178.44 179.67 3kvn h GLN 335 N 0.81 0.45 0.00 0.49 4.20 -0.44 0.51 115.11 121.14 3kvn h GLN 335 Ca 0.15 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3kvn h GLN 335 Cb 0.48 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3kvn h GLN 335 CO 0.02 0.88 -0.32 0.00 -0.67 0.00 0.00 178.83 178.74 3kvn h ALA 336 N 1.07 1.44 0.00 3.87 0.00 -1.15 -3.01 119.26 121.48 3kvn h ALA 336 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kvn h ALA 336 Cb 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kvn h ALA 336 CO 0.10 0.39 -0.75 -0.25 0.00 0.00 0.00 179.25 178.74 3kvn n ASP 337 N -4.11 0.67 -4.66 0.00 8.00 -0.30 -4.84 116.55 111.31 3kvn n ASP 337 Ca -0.02 0.03 -0.51 0.00 0.71 0.00 0.00 54.79 55.00 3kvn n ASP 337 Cb 0.36 0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.76 3kvn n ASP 337 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3kvn n TRP 338 N -2.08 2.04 -3.89 1.24 -0.00 0.17 -0.63 117.44 114.29 3kvn n TRP 338 Ca 0.03 0.36 -0.27 0.00 -0.00 0.00 0.00 57.50 57.62 3kvn n TRP 338 Cb 0.44 -2.50 0.01 0.00 -0.00 0.00 0.00 31.31 29.26 3kvn n TRP 338 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 3kvn n GLU 339 N 4.47 -4.46 -2.01 5.87 -0.58 -1.26 -4.83 120.64 117.84 3kvn n GLU 339 Ca 0.21 0.53 -0.01 0.00 -0.42 0.00 0.00 57.16 57.46 3kvn n GLU 339 Cb 0.23 -5.09 0.02 0.00 -0.57 0.00 0.00 31.44 26.03 3kvn n GLU 339 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3kvn n ASN 340 N -2.93 -0.57 -4.79 1.62 5.15 0.19 -4.95 115.26 108.98 3kvn n ASN 340 Ca -0.16 -1.40 -0.30 0.00 -0.60 0.00 0.00 54.58 52.12 3kvn n ASN 340 Cb 0.62 0.38 0.10 0.00 -0.53 0.00 0.00 39.78 40.35 3kvn n ASN 340 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3kvn s TRP 341 N 0.03 2.74 1.25 1.20 0.51 -1.17 -4.71 118.94 118.80 3kvn s TRP 341 Ca 0.03 1.16 -0.19 0.00 -2.12 0.00 0.00 56.10 54.98 3kvn s TRP 341 Cb 0.10 -3.13 0.30 0.00 -0.81 0.00 0.00 33.47 29.93 3kvn s TRP 341 CO -0.03 -1.88 1.05 1.14 -0.51 0.00 0.00 176.95 176.72 3kvn s GLN 342 N -5.12 -1.57 0.68 4.98 0.00 -1.26 -5.00 119.66 112.36 3kvn s GLN 342 Ca 0.61 0.12 -0.15 0.00 -0.00 0.00 0.00 55.36 55.95 3kvn s GLN 342 Cb -0.15 -1.54 0.01 0.00 0.00 0.00 0.00 33.01 31.33 3kvn s GLN 342 CO 0.55 -3.98 1.12 -0.80 0.00 0.00 0.00 175.29 172.18 3kvn s ASN 343 N -3.51 4.92 0.33 12.60 0.01 -1.26 -4.93 114.94 123.11 3kvn s ASN 343 Ca 0.69 2.04 -0.28 0.00 -0.71 0.00 0.00 52.86 54.61 3kvn s ASN 343 Cb -0.13 -2.56 -0.13 0.00 0.41 0.00 0.00 41.25 38.85 3kvn s ASN 343 CO 0.58 -1.76 1.20 0.52 -1.51 0.00 0.00 177.10 176.12 3kvn n VAL 344 N -2.53 2.04 -0.92 1.60 0.31 -1.26 -1.37 118.33 116.20 3kvn n VAL 344 Ca 0.11 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3kvn n VAL 344 Cb 0.52 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 3kvn n VAL 344 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvn n GLY 345 N 0.92 0.83 3.80 2.92 0.00 -0.08 -5.00 105.19 108.57 3kvn n GLY 345 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3kvn n GLY 345 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kvn s GLN 346 N -0.17 3.11 -0.01 1.61 0.74 -0.47 -4.90 119.66 119.58 3kvn s GLN 346 Ca 0.00 -0.47 -0.17 0.00 0.05 0.00 0.00 55.36 54.78 3kvn s GLN 346 Cb 0.00 -2.89 -0.06 0.00 1.10 0.00 0.00 33.01 31.16 3kvn s GLN 346 CO 0.00 0.65 0.46 -1.58 -0.55 0.00 0.00 175.29 174.27 3kvn s TRP 347 N -1.22 3.70 -0.19 1.67 0.52 -1.26 -2.32 118.94 119.85 3kvn s TRP 347 Ca 0.24 1.04 0.01 0.00 0.02 0.00 0.00 56.10 57.41 3kvn s TRP 347 Cb -0.12 -2.40 0.03 0.00 -1.15 0.00 0.00 33.47 29.83 3kvn s TRP 347 CO 0.15 0.53 -0.16 0.50 0.02 0.00 0.00 176.95 178.00 3kvn s ARG 348 N -0.73 2.54 0.22 4.98 3.52 -0.09 -0.34 118.95 129.05 3kvn s ARG 348 Ca 0.25 -0.82 0.09 0.00 -0.13 0.00 0.00 55.73 55.12 3kvn s ARG 348 Cb -0.17 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 3kvn s ARG 348 CO 0.14 -0.30 -0.05 0.20 -0.81 0.00 0.00 175.30 174.48 3kvn s GLY 349 N 1.34 1.70 -0.01 8.12 0.00 0.09 -1.04 107.32 117.52 3kvn s GLY 349 Ca 0.02 -1.56 -0.10 0.00 0.00 0.00 0.00 44.72 43.08 3kvn s GLY 349 CO -0.11 -1.60 0.21 -0.11 0.00 0.00 0.00 173.10 171.50 3kvn s PHE 350 N -2.02 -0.06 0.03 1.90 -0.12 -0.44 0.22 117.98 117.49 3kvn s PHE 350 Ca 0.28 0.06 0.03 0.00 -0.05 0.00 0.00 56.93 57.26 3kvn s PHE 350 Cb -0.08 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.31 3kvn s PHE 350 CO 0.18 -0.32 -0.09 0.08 -0.05 0.00 0.00 175.22 175.01 3kvn s VAL 351 N -1.29 0.69 0.06 -2.49 1.01 -0.69 -1.63 120.40 116.07 3kvn s VAL 351 Ca -0.14 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 3kvn s VAL 351 Cb -0.06 -0.68 0.09 0.00 0.00 0.00 0.00 36.38 35.72 3kvn s VAL 351 CO 0.03 -0.16 1.19 -0.83 0.00 0.00 0.00 175.10 175.34 3kvn s GLY 352 N -1.13 -0.02 0.03 4.51 0.00 0.05 -0.03 107.32 110.72 3kvn s GLY 352 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 3kvn s GLY 352 CO 0.01 4.62 0.08 0.61 0.00 0.00 0.00 173.10 178.41 3kvn n GLY 353 N -0.84 1.75 0.00 0.20 0.00 -0.39 -0.15 105.19 105.76 3kvn n GLY 353 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3kvn n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvn n GLY 354 N -0.06 -1.26 3.43 -0.02 0.00 -0.80 -1.05 105.19 105.44 3kvn n GLY 354 Ca -0.01 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 3kvn n GLY 354 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kvn s GLY 355 N 0.00 1.77 0.02 -0.02 0.00 -0.68 -0.60 107.32 107.81 3kvn s GLY 355 Ca 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 44.72 42.82 3kvn s GLY 355 CO 0.00 -1.89 0.11 -0.86 0.00 0.00 0.00 173.10 170.46 3kvn s GLN 356 N -3.59 0.51 -0.04 2.90 0.00 -0.10 -1.36 119.66 117.98 3kvn s GLN 356 Ca 0.28 -0.54 0.04 0.00 -0.00 0.00 0.00 55.36 55.14 3kvn s GLN 356 Cb -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 33.01 33.20 3kvn s GLN 356 CO 0.12 -0.12 -0.16 0.50 0.00 0.00 0.00 175.29 175.63 3kvn s ARG 357 N -1.84 1.57 -0.09 9.60 3.52 0.58 -0.39 118.95 131.90 3kvn s ARG 357 Ca -0.11 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 3kvn s ARG 357 Cb -0.06 -1.40 -0.02 0.00 -1.56 0.00 0.00 34.95 31.91 3kvn s ARG 357 CO -0.01 0.24 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.11 3kvn s LEU 358 N 0.00 2.93 -0.25 -0.88 1.02 -0.22 -1.30 118.68 119.98 3kvn s LEU 358 Ca -0.02 -0.17 -0.04 0.00 0.02 0.00 0.00 54.13 53.92 3kvn s LEU 358 Cb -0.10 -1.64 0.09 0.00 0.02 0.00 0.00 46.19 44.56 3kvn s LEU 358 CO 0.01 0.27 0.15 -0.62 0.02 0.00 0.00 176.35 176.19 3kvn s ASP 359 N -0.29 2.76 -0.16 2.29 -1.08 -0.37 -1.39 116.67 118.43 3kvn s ASP 359 Ca 0.03 -0.93 -0.06 0.00 -0.52 0.00 0.00 52.55 51.07 3kvn s ASP 359 Cb -0.13 -0.14 -0.04 0.00 -1.46 0.00 0.00 42.92 41.15 3kvn s ASP 359 CO 0.03 -0.40 0.05 -0.36 0.52 0.00 0.00 175.17 175.01 3kvn s PHE 360 N 2.17 3.26 0.33 -5.34 0.08 0.14 -0.82 117.98 117.78 3kvn s PHE 360 Ca 0.07 0.10 -0.12 0.00 0.12 0.00 0.00 56.93 57.10 3kvn s PHE 360 Cb -0.16 -2.02 -0.08 0.00 -0.57 0.00 0.00 43.02 40.19 3kvn s PHE 360 CO -0.26 0.23 0.71 -0.51 -0.10 0.00 0.00 175.22 175.28 3kvn s ASP 361 N 0.10 6.67 0.54 1.36 1.01 0.61 -1.18 116.67 125.78 3kvn s ASP 361 Ca 0.05 1.16 -0.22 0.00 0.71 0.00 0.00 52.55 54.25 3kvn s ASP 361 Cb -0.12 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 3kvn s ASP 361 CO 0.01 -0.24 1.31 -1.54 0.21 0.00 0.00 175.17 174.92 3kvn n SER 362 N -0.60 2.47 -3.11 0.27 3.41 -1.26 -4.50 113.62 110.30 3kvn n SER 362 Ca 0.03 0.98 -0.14 0.00 -0.26 0.00 0.00 58.87 59.47 3kvn n SER 362 Cb 0.53 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 62.90 3kvn n SER 362 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kvn n GLN 363 N -0.89 1.38 -0.29 4.33 6.02 0.67 -4.70 117.38 123.91 3kvn n GLN 363 Ca 0.10 -1.62 -0.05 0.00 -0.01 0.00 0.00 57.00 55.42 3kvn n GLN 363 Cb 0.44 0.48 0.07 0.00 1.02 0.00 0.00 30.24 32.25 3kvn n GLN 363 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3kvn h ASP 364 N 0.56 0.99 -0.40 1.08 3.32 -1.93 -3.22 116.42 116.82 3kvn h ASP 364 Ca -0.18 -0.09 -0.30 0.00 0.02 0.00 0.00 57.03 56.47 3kvn h ASP 364 Cb 0.56 -0.25 -0.31 0.00 0.22 0.00 0.00 39.33 39.54 3kvn h ASP 364 CO 0.30 0.80 -0.84 -1.54 -1.72 0.00 0.00 179.24 176.24 3kvn n SER 365 N -4.42 2.88 -3.79 6.45 3.41 -1.26 0.05 113.62 116.94 3kvn n SER 365 Ca 0.08 -3.17 -0.13 0.00 -0.26 0.00 0.00 58.87 55.38 3kvn n SER 365 Cb 0.09 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.50 3kvn n SER 365 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kvn s ALA 366 N -3.08 -0.34 0.48 7.33 0.00 -1.22 -3.49 121.76 121.43 3kvn s ALA 366 Ca 0.40 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.70 3kvn s ALA 366 Cb 0.38 -0.35 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 3kvn s ALA 366 CO -0.03 -0.11 1.12 0.00 0.00 0.00 0.00 175.76 176.74 3kvn s ALA 367 N 0.55 2.90 0.53 0.00 0.00 -0.04 -0.24 121.76 125.47 3kvn s ALA 367 Ca -0.04 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 3kvn s ALA 367 Cb -0.05 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 3kvn s ALA 367 CO -0.03 -0.57 1.09 -1.54 0.00 0.00 0.00 175.76 174.71 3kvn s SER 368 N -1.58 5.93 -0.01 0.00 1.04 -1.26 -4.47 113.70 113.36 3kvn s SER 368 Ca 0.66 2.05 -0.29 0.00 0.48 0.00 0.00 55.95 58.85 3kvn s SER 368 Cb -0.25 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.41 3kvn s SER 368 CO 0.30 -1.07 0.91 -0.83 0.98 0.00 0.00 173.24 173.52 3kvn s GLY 369 N -1.95 -0.45 0.15 7.32 0.00 -0.32 -2.11 107.32 109.95 3kvn s GLY 369 Ca 0.70 1.01 -0.22 0.00 0.00 0.00 0.00 44.72 46.20 3kvn s GLY 369 CO 0.25 0.33 0.58 0.51 0.00 0.00 0.00 173.10 174.77 3kvn s ASP 370 N -2.49 -0.53 0.00 1.64 1.47 -0.63 0.24 116.67 116.37 3kvn s ASP 370 Ca 0.05 -0.01 0.00 0.00 1.18 0.00 0.00 52.55 53.77 3kvn s ASP 370 Cb -0.01 0.58 0.00 0.00 -0.34 0.00 0.00 42.92 43.15 3kvn s ASP 370 CO -0.08 -0.94 0.00 0.61 0.68 0.00 0.00 175.17 175.44 3kvn n GLY 371 N -0.30 0.97 3.95 2.12 0.00 -0.49 -0.29 105.19 111.16 3kvn n GLY 371 Ca -0.17 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 3kvn n GLY 371 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kvn s ASN 372 N 0.00 6.31 0.27 1.61 0.01 -1.24 -1.06 114.94 120.85 3kvn s ASN 372 Ca 0.00 0.11 -0.10 0.00 -0.71 0.00 0.00 52.86 52.16 3kvn s ASN 372 Cb 0.00 -1.87 -0.00 0.00 0.41 0.00 0.00 41.25 39.78 3kvn s ASN 372 CO 0.00 -0.01 0.47 -0.83 -1.51 0.00 0.00 177.10 175.22 3kvn s GLY 373 N -3.61 0.79 0.23 0.66 0.00 0.47 -2.06 107.32 103.81 3kvn s GLY 373 Ca 0.34 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3kvn s GLY 373 CO 0.29 -0.74 0.14 -2.52 0.00 0.00 0.00 173.10 170.26 3kvn s TYR 374 N -3.74 1.32 0.04 1.90 -0.85 -0.44 -0.93 117.35 114.66 3kvn s TYR 374 Ca 0.25 -1.36 -0.23 0.00 -0.52 0.00 0.00 57.07 55.21 3kvn s TYR 374 Cb -0.00 -0.67 0.05 0.00 0.38 0.00 0.00 41.96 41.72 3kvn s TYR 374 CO 0.12 -0.59 0.53 0.54 -1.52 0.00 0.00 175.55 174.63 3kvn s ASN 375 N -3.23 -0.45 -0.11 -0.18 2.20 0.24 -1.37 114.94 112.04 3kvn s ASN 375 Ca 0.39 0.21 0.03 0.00 -0.94 0.00 0.00 52.86 52.55 3kvn s ASN 375 Cb 0.07 0.49 0.01 0.00 -2.00 0.00 0.00 41.25 39.81 3kvn s ASN 375 CO 0.14 -0.70 -0.21 -0.22 -2.94 0.00 0.00 177.10 173.17 3kvn s LEU 376 N -1.90 1.99 -0.02 3.54 2.96 -0.06 -1.91 118.68 123.28 3kvn s LEU 376 Ca -0.06 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 3kvn s LEU 376 Cb -0.01 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.37 3kvn s LEU 376 CO -0.01 0.10 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.12 3kvn s THR 377 N 0.61 0.95 0.10 3.68 2.01 0.79 -0.22 115.64 123.56 3kvn s THR 377 Ca -0.13 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 3kvn s THR 377 Cb -0.17 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 3kvn s THR 377 CO 0.04 0.28 0.01 -1.48 -0.69 0.00 0.00 174.62 172.78 3kvn s LEU 378 N 0.03 2.13 0.00 4.42 0.05 -0.37 -0.77 118.68 124.17 3kvn s LEU 378 Ca -0.01 -1.11 -0.25 0.00 0.05 0.00 0.00 54.13 52.81 3kvn s LEU 378 Cb -0.08 0.20 0.08 0.00 -2.05 0.00 0.00 46.19 44.34 3kvn s LEU 378 CO 0.00 -0.65 1.13 0.61 -0.55 0.00 0.00 176.35 176.90 3kvn n GLY 379 N -0.03 0.30 3.63 -3.48 0.00 -0.65 -0.69 105.19 104.28 3kvn n GLY 379 Ca -0.09 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 3kvn n GLY 379 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kvn s GLY 380 N -3.68 -0.33 0.19 -0.02 0.00 -0.40 -1.33 107.32 101.75 3kvn s GLY 380 Ca 0.26 2.39 0.10 0.00 0.00 0.00 0.00 44.72 47.48 3kvn s GLY 380 CO 0.00 1.80 -0.17 -1.35 0.00 0.00 0.00 173.10 173.38 3kvn s SER 381 N 0.31 3.80 -0.11 1.64 1.04 -0.21 -1.51 113.70 118.65 3kvn s SER 381 Ca 0.02 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.71 3kvn s SER 381 Cb -0.05 -0.46 0.01 0.00 0.10 0.00 0.00 66.02 65.63 3kvn s SER 381 CO -0.03 0.11 -0.17 -0.47 0.98 0.00 0.00 173.24 173.65 3kvn s TYR 382 N -1.74 2.17 -0.57 5.02 5.04 0.20 -0.91 117.35 126.56 3kvn s TYR 382 Ca 0.23 -1.03 -0.28 0.00 -2.44 0.00 0.00 57.07 53.55 3kvn s TYR 382 Cb -0.08 -1.53 0.03 0.00 0.35 0.00 0.00 41.96 40.73 3kvn s TYR 382 CO 0.12 -0.50 1.25 0.50 -1.34 0.00 0.00 175.55 175.59 3kvn s ARG 383 N 0.90 3.47 0.29 4.97 3.52 -0.98 -1.92 118.95 129.20 3kvn s ARG 383 Ca -0.08 0.34 0.12 0.00 -0.13 0.00 0.00 55.73 55.99 3kvn s ARG 383 Cb -0.15 -4.04 0.40 0.00 -1.56 0.00 0.00 34.95 29.60 3kvn s ARG 383 CO -0.01 -1.73 1.62 0.82 -0.81 0.00 0.00 175.30 175.19 3kvn h ILE 384 N 6.23 1.32 -2.72 4.11 2.04 -1.86 -0.19 117.51 126.45 3kvn h ILE 384 Ca -0.25 -2.04 0.02 0.00 1.00 0.00 0.00 64.86 63.58 3kvn h ILE 384 Cb 1.07 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3kvn h ILE 384 CO 1.18 0.57 0.31 -0.67 0.00 0.00 0.00 178.15 179.53 3kvn n ASP 385 N -3.71 -1.81 -0.10 1.72 2.03 -1.19 -4.69 116.55 108.80 3kvn n ASP 385 Ca -0.01 -2.18 -0.12 0.00 0.52 0.00 0.00 54.79 53.00 3kvn n ASP 385 Cb 0.61 3.00 -0.04 0.00 -0.72 0.00 0.00 41.12 43.97 3kvn n ASP 385 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3kvn h GLU 386 N 0.00 0.60 -0.01 -0.67 4.57 -1.97 -3.36 114.58 113.74 3kvn h GLU 386 Ca -0.27 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3kvn h GLU 386 Cb 1.04 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3kvn h GLU 386 CO 0.35 0.82 -0.30 0.00 -1.18 0.00 0.00 179.01 178.69 3kvn n ALA 387 N -2.43 3.06 -2.44 2.92 0.00 -1.26 -4.89 120.51 115.47 3kvn n ALA 387 Ca -0.03 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 52.68 3kvn n ALA 387 Cb 0.35 -0.44 -0.13 0.00 0.00 0.00 0.00 19.45 19.24 3kvn n ALA 387 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kvn s TRP 388 N -1.66 2.16 -0.19 0.00 0.52 -1.26 -1.31 118.94 117.19 3kvn s TRP 388 Ca 0.10 -0.39 -0.17 0.00 0.02 0.00 0.00 56.10 55.66 3kvn s TRP 388 Cb 0.10 -1.14 0.05 0.00 -1.15 0.00 0.00 33.47 31.33 3kvn s TRP 388 CO 0.34 0.34 0.50 0.50 0.02 0.00 0.00 176.95 178.66 3kvn s ARG 389 N -2.20 0.58 0.08 4.98 3.52 -0.57 -2.58 118.95 122.76 3kvn s ARG 389 Ca 0.14 0.72 0.04 0.00 -0.13 0.00 0.00 55.73 56.50 3kvn s ARG 389 Cb -0.09 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 3kvn s ARG 389 CO 0.06 -0.08 -0.11 0.00 -0.81 0.00 0.00 175.30 174.37 3kvn s ALA 390 N 0.38 1.01 0.28 6.12 0.00 -0.81 0.30 121.76 129.05 3kvn s ALA 390 Ca -0.01 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 3kvn s ALA 390 Cb -0.04 -0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.14 3kvn s ALA 390 CO -0.01 0.02 0.86 0.41 0.00 0.00 0.00 175.76 177.04 3kvn n GLY 391 N 0.95 0.85 3.09 0.00 0.00 -0.59 0.59 105.19 110.07 3kvn n GLY 391 Ca -0.19 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 3kvn n GLY 391 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kvn s VAL 392 N -2.12 0.19 0.12 1.61 -7.23 -0.57 -0.88 120.40 111.52 3kvn s VAL 392 Ca 0.18 -1.53 -0.10 0.00 -1.81 0.00 0.00 61.98 58.72 3kvn s VAL 392 Cb -0.04 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.66 3kvn s VAL 392 CO 0.08 -0.85 0.25 0.00 -0.31 0.00 0.00 175.10 174.28 3kvn s ALA 393 N -3.39 -0.28 -0.03 1.32 0.00 -0.53 -1.27 121.76 117.57 3kvn s ALA 393 Ca 0.02 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 3kvn s ALA 393 Cb 0.04 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.80 3kvn s ALA 393 CO -0.08 -0.57 0.19 0.00 0.00 0.00 0.00 175.76 175.30 3kvn s ALA 394 N -3.88 -0.47 -0.01 0.00 0.00 0.13 -0.64 121.76 116.89 3kvn s ALA 394 Ca 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 3kvn s ALA 394 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 3kvn s ALA 394 CO -0.08 -0.18 0.04 0.20 0.00 0.00 0.00 175.76 175.74 3kvn s GLY 395 N -0.81 0.02 -0.21 0.00 0.00 0.47 -1.24 107.32 105.55 3kvn s GLY 395 Ca -0.09 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.62 3kvn s GLY 395 CO 0.01 -0.06 -0.13 -1.36 0.00 0.00 0.00 173.10 171.56 3kvn s PHE 396 N -0.37 2.69 -0.10 1.90 0.40 0.69 -0.93 117.98 122.26 3kvn s PHE 396 Ca -0.04 -1.76 0.04 0.00 -0.60 0.00 0.00 56.93 54.57 3kvn s PHE 396 Cb -0.03 -1.77 -0.00 0.00 0.51 0.00 0.00 43.02 41.73 3kvn s PHE 396 CO -0.00 -0.79 -0.22 0.71 0.70 0.00 0.00 175.22 175.62 3kvn s TYR 397 N 1.31 2.59 -0.19 0.36 2.02 0.18 -0.88 117.35 122.73 3kvn s TYR 397 Ca -0.01 -0.96 -0.03 0.00 -0.37 0.00 0.00 57.07 55.70 3kvn s TYR 397 Cb -0.16 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 3kvn s TYR 397 CO -0.09 -0.37 -0.07 0.50 -1.57 0.00 0.00 175.55 173.96 3kvn s ARG 398 N 0.30 3.41 -0.05 -0.62 6.06 -0.47 -0.29 118.95 127.29 3kvn s ARG 398 Ca -0.16 -0.63 0.02 0.00 -2.50 0.00 0.00 55.73 52.46 3kvn s ARG 398 Cb -0.17 -2.90 0.02 0.00 0.06 0.00 0.00 34.95 31.95 3kvn s ARG 398 CO 0.08 -0.04 -0.08 -1.14 -2.50 0.00 0.00 175.30 171.61 3kvn s GLN 399 N 1.06 1.21 0.18 5.12 2.00 -0.15 -1.33 119.66 127.75 3kvn s GLN 399 Ca 0.01 -0.26 0.09 0.00 -2.00 0.00 0.00 55.36 53.19 3kvn s GLN 399 Cb -0.15 -1.08 -0.04 0.00 0.80 0.00 0.00 33.01 32.54 3kvn s GLN 399 CO -0.01 -0.00 -0.12 -1.59 -0.50 0.00 0.00 175.29 173.07 3kvn s LYS 400 N 0.69 1.98 -0.05 1.67 -2.85 -0.87 -0.49 119.74 119.82 3kvn s LYS 400 Ca -0.12 -1.31 -0.02 0.00 -1.00 0.00 0.00 55.97 53.53 3kvn s LYS 400 Cb -0.14 -2.11 0.03 0.00 -2.06 0.00 0.00 37.83 33.55 3kvn s LYS 400 CO 0.02 0.43 0.10 -1.17 0.10 0.00 0.00 175.35 174.82 3kvn s LEU 401 N -2.81 0.96 -0.29 2.77 2.96 0.91 -3.62 118.68 119.55 3kvn s LEU 401 Ca 0.24 0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.26 3kvn s LEU 401 Cb -0.09 0.20 -0.01 0.00 0.50 0.00 0.00 46.19 46.79 3kvn s LEU 401 CO 0.14 -0.13 0.11 -1.61 -1.32 0.00 0.00 176.35 173.55 3kvn s GLU 402 N 1.01 3.39 0.11 1.98 2.02 0.61 -0.94 118.70 126.88 3kvn s GLU 402 Ca -0.08 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.29 3kvn s GLU 402 Cb -0.11 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 3kvn s GLU 402 CO -0.04 -0.35 -0.12 0.00 0.02 0.00 0.00 175.26 174.77 3kvn s ALA 403 N 1.59 1.32 0.00 5.21 0.00 -0.29 -1.61 121.76 127.98 3kvn s ALA 403 Ca 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3kvn s ALA 403 Cb -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3kvn s ALA 403 CO 0.05 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.24 3kvn n GLY 404 N 0.46 -0.86 0.33 0.00 0.00 -0.90 0.28 105.19 104.50 3kvn n GLY 404 Ca -0.15 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.33 3kvn n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvn h ALA 405 N 0.00 2.24 -0.17 4.61 0.00 -1.91 -2.71 119.26 121.33 3kvn h ALA 405 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kvn h ALA 405 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kvn h ALA 405 CO 0.00 -0.33 0.00 1.63 0.00 0.00 0.00 179.25 180.55 3kvn n LYS 406 N -4.45 2.40 -3.47 0.00 4.76 -1.26 -4.97 118.16 111.17 3kvn n LYS 406 Ca 0.04 -2.57 -0.18 0.00 -2.87 0.00 0.00 58.31 52.73 3kvn n LYS 406 Cb 0.36 -1.61 0.07 0.00 -1.84 0.00 0.00 35.03 32.02 3kvn n LYS 406 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kvn n ASP 407 N -0.69 -2.70 -4.52 4.39 8.00 -1.02 -4.84 116.55 115.17 3kvn n ASP 407 Ca 0.17 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 3kvn n ASP 407 Cb 0.71 -4.85 0.01 0.00 -0.02 0.00 0.00 41.12 36.96 3kvn n ASP 407 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kvn n SER 408 N -3.12 0.11 -4.16 -2.24 7.64 0.14 -4.57 113.62 107.42 3kvn n SER 408 Ca -0.25 0.99 -0.34 0.00 1.01 0.00 0.00 58.87 60.28 3kvn n SER 408 Cb 0.66 -1.21 -0.15 0.00 -1.01 0.00 0.00 64.21 62.50 3kvn n SER 408 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kvn s ASP 409 N -0.85 4.24 -0.09 6.43 2.15 0.46 -1.14 116.67 127.87 3kvn s ASP 409 Ca 0.63 -0.98 0.03 0.00 0.43 0.00 0.00 52.55 52.66 3kvn s ASP 409 Cb -0.61 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 3kvn s ASP 409 CO 0.57 -0.13 -0.20 -0.31 -0.17 0.00 0.00 175.17 174.93 3kvn s TYR 410 N 1.27 2.23 -0.01 -5.34 2.02 -0.11 -0.17 117.35 117.23 3kvn s TYR 410 Ca -0.01 -0.90 0.05 0.00 -0.37 0.00 0.00 57.07 55.83 3kvn s TYR 410 Cb -0.17 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 3kvn s TYR 410 CO -0.05 -0.38 -0.15 1.03 -1.57 0.00 0.00 175.55 174.42 3kvn s ARG 411 N 0.45 1.22 -0.01 -0.62 0.52 0.04 -0.07 118.95 120.50 3kvn s ARG 411 Ca -0.17 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 3kvn s ARG 411 Cb -0.17 -1.18 0.01 0.00 0.52 0.00 0.00 34.95 34.13 3kvn s ARG 411 CO 0.07 0.32 0.00 1.41 0.02 0.00 0.00 175.30 177.12 3kvn s MET 412 N -0.34 0.04 -0.23 3.54 -2.45 0.36 -2.79 119.30 117.43 3kvn s MET 412 Ca 0.06 0.04 -0.07 0.00 -1.25 0.00 0.00 55.69 54.46 3kvn s MET 412 Cb -0.06 -0.12 -0.03 0.00 1.25 0.00 0.00 34.83 35.87 3kvn s MET 412 CO -0.01 -0.04 0.07 -0.80 1.05 0.00 0.00 175.02 175.29 3kvn s ASN 413 N 0.31 5.23 -0.17 1.11 0.01 0.79 -0.98 114.94 121.24 3kvn s ASN 413 Ca -0.03 -0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 51.97 3kvn s ASN 413 Cb -0.04 -1.93 -0.00 0.00 0.41 0.00 0.00 41.25 39.68 3kvn s ASN 413 CO -0.01 0.01 -0.12 -0.55 -1.51 0.00 0.00 177.10 174.92 3kvn s SER 414 N 1.35 3.85 -0.33 -1.22 0.15 0.61 -0.42 113.70 117.68 3kvn s SER 414 Ca 0.05 -0.44 -0.06 0.00 0.70 0.00 0.00 55.95 56.21 3kvn s SER 414 Cb -0.15 -1.61 0.04 0.00 -1.71 0.00 0.00 66.02 62.60 3kvn s SER 414 CO 0.04 0.07 0.09 -0.31 1.20 0.00 0.00 173.24 174.32 3kvn s TYR 415 N 0.92 3.26 0.15 3.44 2.02 -0.28 -0.65 117.35 126.21 3kvn s TYR 415 Ca -0.03 -1.51 0.10 0.00 -0.37 0.00 0.00 57.07 55.27 3kvn s TYR 415 Cb -0.15 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 3kvn s TYR 415 CO -0.01 -0.74 -0.21 -1.64 -1.57 0.00 0.00 175.55 171.38 3kvn s MET 416 N 1.38 1.65 0.04 -0.62 -1.94 -0.11 -0.78 119.30 118.93 3kvn s MET 416 Ca -0.02 -1.34 -0.07 0.00 -1.71 0.00 0.00 55.69 52.55 3kvn s MET 416 Cb -0.20 -1.99 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 3kvn s MET 416 CO 0.02 0.44 0.14 0.00 -0.01 0.00 0.00 175.02 175.61 3kvn s ALA 417 N -1.37 -0.17 0.08 3.03 0.00 -0.31 -0.40 121.76 122.62 3kvn s ALA 417 Ca 0.19 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 3kvn s ALA 417 Cb -0.09 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.33 3kvn s ALA 417 CO 0.10 -0.36 0.26 -1.54 0.00 0.00 0.00 175.76 174.22 3kvn s SER 418 N -2.22 -0.01 -0.04 0.00 1.04 0.18 -0.76 113.70 111.89 3kvn s SER 418 Ca -0.03 -0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.01 3kvn s SER 418 Cb -0.00 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 3kvn s SER 418 CO -0.05 -0.71 -0.25 0.00 0.98 0.00 0.00 173.24 173.20 3kvn s ALA 419 N -3.43 2.16 0.06 5.32 0.00 -0.43 -1.45 121.76 123.99 3kvn s ALA 419 Ca 0.01 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 3kvn s ALA 419 Cb 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3kvn s ALA 419 CO -0.09 0.45 -0.04 -0.59 0.00 0.00 0.00 175.76 175.50 3kvn s PHE 420 N -0.31 0.60 0.04 0.00 -0.12 -0.06 -0.78 117.98 117.36 3kvn s PHE 420 Ca 0.01 -1.01 0.02 0.00 -0.05 0.00 0.00 56.93 55.90 3kvn s PHE 420 Cb -0.12 -0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 3kvn s PHE 420 CO 0.02 -0.32 -0.08 0.54 -0.05 0.00 0.00 175.22 175.33 3kvn s VAL 421 N -3.77 0.58 0.03 -2.49 0.11 0.21 -1.54 120.40 113.54 3kvn s VAL 421 Ca 0.07 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 3kvn s VAL 421 Cb 0.07 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3kvn s VAL 421 CO -0.08 -0.28 -0.06 -1.10 -3.33 0.00 0.00 175.10 170.25 3kvn s GLN 422 N -1.35 0.43 -0.03 1.54 -0.21 0.15 -1.68 119.66 118.51 3kvn s GLN 422 Ca -0.07 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.73 3kvn s GLN 422 Cb -0.09 -0.20 0.02 0.00 1.00 0.00 0.00 33.01 33.74 3kvn s GLN 422 CO 0.00 0.03 -0.05 -0.47 -2.12 0.00 0.00 175.29 172.69 3kvn s TYR 423 N -1.12 0.69 -0.14 0.91 5.04 -0.49 -1.51 117.35 120.73 3kvn s TYR 423 Ca -0.09 -0.17 -0.05 0.00 -2.44 0.00 0.00 57.07 54.32 3kvn s TYR 423 Cb -0.08 -0.58 0.07 0.00 0.35 0.00 0.00 41.96 41.72 3kvn s TYR 423 CO -0.00 -0.14 0.28 1.14 -1.34 0.00 0.00 175.55 175.49 3kvn s GLN 424 N 0.64 0.17 -0.22 4.97 -2.07 -0.43 -0.70 119.66 122.02 3kvn s GLN 424 Ca -0.08 0.77 -0.11 0.00 -1.82 0.00 0.00 55.36 54.12 3kvn s GLN 424 Cb -0.12 -0.02 0.08 0.00 -1.09 0.00 0.00 33.01 31.86 3kvn s GLN 424 CO 0.00 -0.29 0.52 -2.00 -1.32 0.00 0.00 175.29 172.20 3kvn s GLU 425 N 2.44 0.49 -1.36 9.60 2.12 -0.15 -4.43 118.70 127.41 3kvn s GLU 425 Ca 0.01 1.02 -0.07 0.00 0.36 0.00 0.00 54.97 56.29 3kvn s GLU 425 Cb -0.12 0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.45 3kvn s GLU 425 CO -0.09 -0.17 1.04 -1.71 -0.54 0.00 0.00 175.26 173.78 3kvn n ASN 426 N 4.55 -4.45 0.00 -1.70 5.15 -1.26 -1.34 115.26 116.21 3kvn n ASN 426 Ca -0.19 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 3kvn n ASN 426 Cb 0.55 -4.65 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 3kvn n ASN 426 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kvn n ARG 427 N -4.66 0.00 -3.54 1.20 1.74 -1.26 -4.98 116.66 105.16 3kvn n ARG 427 Ca -0.08 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.64 3kvn n ARG 427 Cb 0.59 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.43 3kvn n ARG 427 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3kvn s TRP 428 N -3.08 3.64 0.00 -1.55 0.52 -0.45 0.44 118.94 118.46 3kvn s TRP 428 Ca 0.00 0.88 -0.16 0.00 0.02 0.00 0.00 56.10 56.84 3kvn s TRP 428 Cb 0.00 -2.22 0.03 0.00 -1.15 0.00 0.00 33.47 30.13 3kvn s TRP 428 CO 0.00 0.56 0.34 1.67 0.02 0.00 0.00 176.95 179.54 3kvn s TRP 429 N -1.28 -0.20 -0.13 -1.98 1.48 -0.70 -0.98 118.94 115.14 3kvn s TRP 429 Ca 0.30 0.26 -0.22 0.00 -1.06 0.00 0.00 56.10 55.37 3kvn s TRP 429 Cb -0.15 0.13 0.05 0.00 -1.16 0.00 0.00 33.47 32.34 3kvn s TRP 429 CO 0.16 -0.44 0.55 0.00 -4.06 0.00 0.00 176.95 173.15 3kvn s ALA 430 N -1.67 -1.38 0.07 2.67 0.00 0.12 -1.21 121.76 120.36 3kvn s ALA 430 Ca -0.11 1.26 0.08 0.00 0.00 0.00 0.00 51.96 53.19 3kvn s ALA 430 Cb -0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3kvn s ALA 430 CO 0.03 -0.29 -0.21 -0.51 0.00 0.00 0.00 175.76 174.77 3kvn s ASP 431 N -0.45 2.53 -0.14 0.00 1.01 -0.14 -1.40 116.67 118.08 3kvn s ASP 431 Ca -0.06 -0.60 -0.08 0.00 0.71 0.00 0.00 52.55 52.52 3kvn s ASP 431 Cb -0.03 -0.18 0.05 0.00 1.01 0.00 0.00 42.92 43.77 3kvn s ASP 431 CO 0.04 0.11 0.35 0.00 0.21 0.00 0.00 175.17 175.88 3kvn s ALA 432 N -0.97 -0.87 -0.08 5.23 0.00 -0.68 -1.81 121.76 122.59 3kvn s ALA 432 Ca 0.07 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.28 3kvn s ALA 432 Cb -0.09 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.28 3kvn s ALA 432 CO 0.03 -0.23 0.18 0.00 0.00 0.00 0.00 175.76 175.74 3kvn s ALA 433 N 1.19 -0.34 -0.23 0.00 0.00 0.60 -0.61 121.76 122.36 3kvn s ALA 433 Ca -0.08 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.58 3kvn s ALA 433 Cb -0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3kvn s ALA 433 CO -0.10 -0.23 0.05 -1.17 0.00 0.00 0.00 175.76 174.32 3kvn s LEU 434 N 1.36 3.43 0.00 0.00 2.96 0.04 -1.07 118.68 125.40 3kvn s LEU 434 Ca -0.08 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3kvn s LEU 434 Cb -0.11 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3kvn s LEU 434 CO -0.07 0.02 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.86 3kvn s THR 435 N 1.28 1.82 0.19 3.68 2.01 0.14 -1.31 115.64 123.45 3kvn s THR 435 Ca 0.04 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 61.03 3kvn s THR 435 Cb -0.15 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 3kvn s THR 435 CO 0.03 0.43 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.42 3kvn s GLY 436 N -0.77 1.33 -0.16 4.40 0.00 0.06 -0.31 107.32 111.87 3kvn s GLY 436 Ca 0.09 -1.61 -0.26 0.00 0.00 0.00 0.00 44.72 42.95 3kvn s GLY 436 CO 0.00 -1.70 0.66 -0.32 0.00 0.00 0.00 173.10 171.74 3kvn s GLY 437 N -3.24 -0.51 -0.07 0.20 0.00 0.05 -1.16 107.32 102.59 3kvn s GLY 437 Ca 0.21 1.58 0.01 0.00 0.00 0.00 0.00 44.72 46.52 3kvn s GLY 437 CO 0.05 1.29 -0.09 -0.47 0.00 0.00 0.00 173.10 173.88 3kvn s TYR 438 N -0.35 2.88 -0.17 1.90 5.04 0.04 -1.14 117.35 125.55 3kvn s TYR 438 Ca -0.05 -0.06 -0.00 0.00 -2.44 0.00 0.00 57.07 54.52 3kvn s TYR 438 Cb -0.03 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.58 3kvn s TYR 438 CO 0.05 0.26 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.86 3kvn s LEU 439 N -0.70 2.45 -0.39 6.97 1.43 0.83 -1.13 118.68 128.14 3kvn s LEU 439 Ca 0.11 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 3kvn s LEU 439 Cb -0.11 -1.57 0.09 0.00 0.03 0.00 0.00 46.19 44.63 3kvn s LEU 439 CO 0.01 0.05 0.19 -0.62 0.23 0.00 0.00 176.35 176.21 3kvn s ASP 440 N 1.03 5.32 -1.05 2.29 2.15 0.44 -0.95 116.67 125.89 3kvn s ASP 440 Ca -0.01 -1.73 -0.18 0.00 0.43 0.00 0.00 52.55 51.06 3kvn s ASP 440 Cb -0.15 -1.86 0.13 0.00 -0.30 0.00 0.00 42.92 40.74 3kvn s ASP 440 CO -0.04 -0.50 1.30 -0.31 -0.17 0.00 0.00 175.17 175.46 3kvn s TYR 441 N 1.25 3.15 -0.49 -5.34 2.02 0.27 -0.15 117.35 118.06 3kvn s TYR 441 Ca 0.04 -1.58 0.24 0.00 -0.37 0.00 0.00 57.07 55.40 3kvn s TYR 441 Cb -0.22 -4.37 0.40 0.00 -0.40 0.00 0.00 41.96 37.36 3kvn s TYR 441 CO -0.02 -1.53 1.55 0.38 -1.57 0.00 0.00 175.55 174.36 3kvn h ASP 442 N 8.32 0.00 -2.53 2.29 -0.00 -1.75 -0.74 116.42 122.01 3kvn h ASP 442 Ca 0.23 -0.02 -0.36 0.00 -0.00 0.00 0.00 57.03 56.89 3kvn h ASP 442 Cb 0.96 0.00 -0.36 0.00 -0.00 0.00 0.00 39.33 39.93 3kvn h ASP 442 CO 1.21 0.01 -0.66 -0.62 -0.00 0.00 0.00 179.24 179.18 3kvn s ASP 443 N -5.57 1.76 -0.41 4.15 2.15 -1.23 -4.80 116.67 112.73 3kvn s ASP 443 Ca 0.07 -0.48 0.04 0.00 0.43 0.00 0.00 52.55 52.60 3kvn s ASP 443 Cb 0.08 0.27 0.11 0.00 -0.30 0.00 0.00 42.92 43.08 3kvn s ASP 443 CO 0.67 -0.35 0.14 -0.76 -0.17 0.00 0.00 175.17 174.70 3kvn s LEU 444 N 2.29 4.62 -0.41 -1.34 1.02 -0.18 -0.78 118.68 123.89 3kvn s LEU 444 Ca 0.07 -2.49 -0.03 0.00 0.02 0.00 0.00 54.13 51.70 3kvn s LEU 444 Cb -0.15 -1.64 0.11 0.00 0.02 0.00 0.00 46.19 44.53 3kvn s LEU 444 CO -0.19 -0.33 0.21 -0.75 0.02 0.00 0.00 176.35 175.32 3kvn s LYS 445 N 0.44 2.02 -0.22 1.70 2.20 0.75 -0.92 119.74 125.72 3kvn s LYS 445 Ca 0.13 -1.83 -0.19 0.00 -0.36 0.00 0.00 55.97 53.72 3kvn s LYS 445 Cb -0.22 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 3kvn s LYS 445 CO -0.05 -1.08 0.57 0.50 -0.36 0.00 0.00 175.35 174.93 3kvn s ARG 446 N 1.13 4.15 0.04 4.03 3.52 0.48 -0.40 118.95 131.89 3kvn s ARG 446 Ca 0.08 0.47 0.07 0.00 -0.13 0.00 0.00 55.73 56.22 3kvn s ARG 446 Cb -0.23 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.52 3kvn s ARG 446 CO -0.04 -0.27 -0.17 0.15 -0.81 0.00 0.00 175.30 174.16 3kvn s LYS 447 N 2.04 2.14 0.13 5.12 1.02 -1.26 -0.42 119.74 128.51 3kvn s LYS 447 Ca 0.25 -0.95 -0.15 0.00 0.02 0.00 0.00 55.97 55.15 3kvn s LYS 447 Cb -0.16 -2.23 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 3kvn s LYS 447 CO 0.09 0.55 0.38 -0.59 -0.92 0.00 0.00 175.35 174.87 3kvn s PHE 448 N -0.93 -0.10 0.16 3.18 -0.12 -0.64 -4.43 117.98 115.10 3kvn s PHE 448 Ca 0.15 -0.23 -0.30 0.00 -0.05 0.00 0.00 56.93 56.50 3kvn s PHE 448 Cb -0.11 0.22 -0.07 0.00 -0.63 0.00 0.00 43.02 42.43 3kvn s PHE 448 CO 0.06 -0.71 1.14 0.00 -0.05 0.00 0.00 175.22 175.65 3kvn s ALA 449 N -3.83 3.39 -0.28 1.99 0.00 -1.26 -1.42 121.76 120.35 3kvn s ALA 449 Ca 0.05 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.63 3kvn s ALA 449 Cb 0.02 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.85 3kvn s ALA 449 CO -0.10 -0.29 0.83 -1.17 0.00 0.00 0.00 175.76 175.03 3kvn s LEU 450 N -0.13 -0.66 -1.79 0.00 2.96 -0.89 -4.75 118.68 113.43 3kvn s LEU 450 Ca 0.52 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 3kvn s LEU 450 Cb -0.30 2.25 0.00 0.00 0.50 0.00 0.00 46.19 48.64 3kvn s LEU 450 CO 0.35 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 3kvn n GLY 451 N 2.69 -0.45 3.46 7.98 0.00 -1.26 -0.42 105.19 117.19 3kvn n GLY 451 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kvn n GLY 451 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvn n GLY 452 N -1.00 1.58 0.00 -0.02 0.00 -1.26 -3.41 105.19 101.07 3kvn n GLY 452 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3kvn n GLY 452 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvn n GLY 453 N -2.00 2.86 3.18 -0.02 0.00 0.43 -5.10 105.19 104.55 3kvn n GLY 453 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 3kvn n GLY 453 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kvn s GLU 454 N 4.34 0.61 0.21 1.61 -1.05 -1.18 -2.09 118.70 121.16 3kvn s GLU 454 Ca 0.00 -0.39 0.11 0.00 -0.15 0.00 0.00 54.97 54.54 3kvn s GLU 454 Cb 0.00 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 3kvn s GLU 454 CO 0.00 -0.17 -0.17 0.50 0.95 0.00 0.00 175.26 176.37 3kvn s ARG 455 N -1.69 1.76 0.03 -4.83 3.52 -0.51 -4.81 118.95 112.42 3kvn s ARG 455 Ca -0.12 -1.50 0.05 0.00 -0.13 0.00 0.00 55.73 54.04 3kvn s ARG 455 Cb -0.05 -1.94 -0.02 0.00 -1.56 0.00 0.00 34.95 31.38 3kvn s ARG 455 CO 0.01 0.39 -0.16 -1.54 -0.81 0.00 0.00 175.30 173.20 3kvn s SER 456 N -2.96 1.84 0.03 -2.12 1.04 -1.26 -1.63 113.70 108.65 3kvn s SER 456 Ca 0.25 -0.45 0.09 0.00 0.48 0.00 0.00 55.95 56.31 3kvn s SER 456 Cb -0.07 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3kvn s SER 456 CO 0.13 0.08 -0.25 -1.61 0.98 0.00 0.00 173.24 172.57 3kvn s GLU 457 N -1.06 1.74 0.05 4.02 0.41 0.44 -4.96 118.70 119.34 3kvn s GLU 457 Ca 0.03 -1.03 0.06 0.00 -0.41 0.00 0.00 54.97 53.62 3kvn s GLU 457 Cb -0.08 -1.86 -0.02 0.00 -1.78 0.00 0.00 34.13 30.39 3kvn s GLU 457 CO 0.01 0.49 -0.18 0.15 -0.49 0.00 0.00 175.26 175.24 3kvn s LYS 458 N -1.11 1.16 0.24 1.61 1.02 -1.26 -0.39 119.74 121.01 3kvn s LYS 458 Ca 0.10 -0.88 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 3kvn s LYS 458 Cb -0.10 -1.24 0.04 0.00 -0.52 0.00 0.00 37.83 36.02 3kvn s LYS 458 CO 0.01 0.31 0.57 0.41 -0.92 0.00 0.00 175.35 175.73 3kvn n GLY 459 N 1.80 1.21 3.48 -3.33 0.00 -0.09 -0.33 105.19 107.93 3kvn n GLY 459 Ca -0.18 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 3kvn n GLY 459 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kvn s ASP 460 N -2.44 -0.60 0.34 1.61 -4.77 -1.26 -1.01 116.67 108.53 3kvn s ASP 460 Ca 0.12 0.56 -0.05 0.00 -3.30 0.00 0.00 52.55 49.88 3kvn s ASP 460 Cb -0.03 0.53 0.02 0.00 -1.09 0.00 0.00 42.92 42.35 3kvn s ASP 460 CO 0.07 -0.64 0.53 1.07 0.70 0.00 0.00 175.17 176.89 3kvn n THR 461 N 0.76 0.00 -4.36 2.11 5.66 -0.29 -4.87 114.28 113.30 3kvn n THR 461 Ca -0.19 -1.45 -0.18 0.00 -3.05 0.00 0.00 64.05 59.18 3kvn n THR 461 Cb 0.58 0.99 -0.10 0.00 -1.55 0.00 0.00 70.33 70.25 3kvn n THR 461 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3kvn s ASN 462 N -2.98 2.04 0.16 1.09 0.01 -1.26 -0.57 114.94 113.43 3kvn s ASN 462 Ca 0.24 -1.22 -0.11 0.00 -0.71 0.00 0.00 52.86 51.06 3kvn s ASN 462 Cb -0.02 -0.03 0.04 0.00 0.41 0.00 0.00 41.25 41.65 3kvn s ASN 462 CO 0.17 -0.49 0.53 0.61 -1.51 0.00 0.00 177.10 176.41 3kvn n GLY 463 N -0.47 1.14 3.56 0.66 0.00 -0.13 0.57 105.19 110.53 3kvn n GLY 463 Ca -0.05 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 3kvn n GLY 463 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kvn s HIS 464 N -4.38 -0.34 0.04 1.61 -3.43 -0.17 -0.12 115.29 108.50 3kvn s HIS 464 Ca 0.11 0.03 -0.11 0.00 -0.80 0.00 0.00 55.06 54.29 3kvn s HIS 464 Cb -0.02 0.56 0.01 0.00 -1.43 0.00 0.00 32.58 31.70 3kvn s HIS 464 CO 0.05 -0.97 0.24 -0.48 -2.00 0.00 0.00 174.74 171.57 3kvn s LEU 465 N -2.83 1.18 0.02 5.38 0.05 -0.29 -1.20 118.68 120.99 3kvn s LEU 465 Ca 0.06 -0.30 -0.01 0.00 0.05 0.00 0.00 54.13 53.93 3kvn s LEU 465 Cb -0.02 1.10 -0.02 0.00 -2.05 0.00 0.00 46.19 45.20 3kvn s LEU 465 CO -0.05 -0.58 -0.01 -1.66 -0.55 0.00 0.00 176.35 173.50 3kvn s TRP 466 N -2.54 0.22 -0.04 3.48 1.48 -0.89 -0.77 118.94 119.87 3kvn s TRP 466 Ca -0.05 -0.46 -0.12 0.00 -1.06 0.00 0.00 56.10 54.41 3kvn s TRP 466 Cb -0.01 -0.16 0.02 0.00 -1.16 0.00 0.00 33.47 32.16 3kvn s TRP 466 CO -0.04 -0.19 0.28 0.00 -4.06 0.00 0.00 176.95 172.94 3kvn s ALA 467 N -1.39 -0.70 -0.06 2.67 0.00 0.58 -1.34 121.76 121.53 3kvn s ALA 467 Ca -0.15 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.26 3kvn s ALA 467 Cb -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 3kvn s ALA 467 CO -0.01 -0.22 -0.20 0.12 0.00 0.00 0.00 175.76 175.45 3kvn s PHE 468 N -0.89 2.05 0.00 0.00 5.36 -0.13 0.26 117.98 124.64 3kvn s PHE 468 Ca -0.10 -0.64 0.04 0.00 -0.96 0.00 0.00 56.93 55.27 3kvn s PHE 468 Cb -0.05 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.25 3kvn s PHE 468 CO 0.03 -0.22 -0.12 -1.54 -1.46 0.00 0.00 175.22 171.91 3kvn s SER 469 N 0.03 1.40 0.04 6.13 1.04 -0.23 -1.17 113.70 120.95 3kvn s SER 469 Ca -0.06 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 3kvn s SER 469 Cb -0.13 -0.13 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 3kvn s SER 469 CO 0.04 0.10 0.16 0.00 0.98 0.00 0.00 173.24 174.52 3kvn s ALA 470 N -0.44 -0.25 0.20 5.32 0.00 -0.34 -0.29 121.76 125.95 3kvn s ALA 470 Ca 0.03 -0.36 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 3kvn s ALA 470 Cb -0.05 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.37 3kvn s ALA 470 CO -0.00 -0.33 0.64 -0.98 0.00 0.00 0.00 175.76 175.09 3kvn s ARG 471 N -2.48 1.45 -0.13 0.00 1.70 -0.75 -0.58 118.95 118.15 3kvn s ARG 471 Ca -0.06 -0.64 -0.15 0.00 -0.47 0.00 0.00 55.73 54.41 3kvn s ARG 471 Cb -0.02 0.60 0.04 0.00 -0.57 0.00 0.00 34.95 35.00 3kvn s ARG 471 CO -0.04 -0.65 0.41 -1.17 -1.08 0.00 0.00 175.30 172.77 3kvn s LEU 472 N -2.81 0.45 0.22 -1.89 0.20 -0.16 -0.96 118.68 113.74 3kvn s LEU 472 Ca 0.04 0.72 -0.16 0.00 0.69 0.00 0.00 54.13 55.42 3kvn s LEU 472 Cb -0.03 1.43 0.01 0.00 -0.43 0.00 0.00 46.19 47.17 3kvn s LEU 472 CO -0.06 -0.20 0.52 -0.83 -0.29 0.00 0.00 176.35 175.48 3kvn s GLY 473 N -0.06 0.16 -0.08 7.98 0.00 -0.35 -0.95 107.32 114.03 3kvn s GLY 473 Ca -0.02 -0.51 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 3kvn s GLY 473 CO 0.01 -0.40 -0.03 -0.47 0.00 0.00 0.00 173.10 172.21 3kvn s TYR 474 N -3.94 0.90 0.11 1.90 5.04 -1.16 -1.73 117.35 118.49 3kvn s TYR 474 Ca 0.14 -0.32 -0.31 0.00 -2.44 0.00 0.00 57.07 54.15 3kvn s TYR 474 Cb -0.01 -0.88 -0.07 0.00 0.35 0.00 0.00 41.96 41.34 3kvn s TYR 474 CO 0.03 -0.34 1.27 0.34 -1.34 0.00 0.00 175.55 175.51 3kvn s ASP 475 N 1.64 6.98 0.40 4.32 -1.08 0.17 -4.02 116.67 125.08 3kvn s ASP 475 Ca 0.01 2.19 0.21 0.00 -0.52 0.00 0.00 52.55 54.44 3kvn s ASP 475 Cb -0.13 -2.59 0.72 0.00 -1.46 0.00 0.00 42.92 39.46 3kvn s ASP 475 CO -0.05 -0.52 1.74 0.40 0.52 0.00 0.00 175.17 177.27 3kvn h ILE 476 N 4.22 0.69 -2.92 4.11 2.04 -0.58 -3.41 117.51 121.65 3kvn h ILE 476 Ca -0.43 -1.38 -0.56 0.00 1.00 0.00 0.00 64.86 63.49 3kvn h ILE 476 Cb 1.21 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.17 3kvn h ILE 476 CO 0.81 0.30 0.86 0.00 0.00 0.00 0.00 178.15 180.12 3kvn s ALA 477 N -3.54 3.60 0.26 1.87 0.00 -1.26 -4.88 121.76 117.81 3kvn s ALA 477 Ca 0.01 0.63 0.36 0.00 0.00 0.00 0.00 51.96 52.96 3kvn s ALA 477 Cb 0.10 -3.60 1.64 0.00 0.00 0.00 0.00 23.12 21.26 3kvn s ALA 477 CO 0.67 -1.05 2.09 1.96 0.00 0.00 0.00 175.76 179.43 3kvn h GLN 478 N 8.09 0.00 -4.27 0.00 7.50 -1.96 -3.43 115.11 121.04 3kvn h GLN 478 Ca -0.32 0.00 -0.74 0.00 0.50 0.00 0.00 58.65 58.09 3kvn h GLN 478 Cb 1.14 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 28.44 3kvn h GLN 478 CO 0.93 0.01 -0.06 1.14 -1.50 0.00 0.00 178.83 179.36 3kvn s GLN 479 N -3.82 3.08 0.43 1.46 -2.07 -1.26 -4.81 119.66 112.67 3kvn s GLN 479 Ca -0.01 -1.67 0.22 0.00 -1.82 0.00 0.00 55.36 52.09 3kvn s GLN 479 Cb 0.10 -4.32 1.20 0.00 -1.09 0.00 0.00 33.01 28.90 3kvn s GLN 479 CO 0.51 -1.40 1.77 0.00 -1.32 0.00 0.00 175.29 174.85 3kvn h ALA 480 N 8.87 2.40 -0.69 2.60 0.00 -1.98 0.30 119.26 130.76 3kvn h ALA 480 Ca -0.25 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 3kvn h ALA 480 Cb 1.09 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3kvn h ALA 480 CO 1.03 -0.80 0.26 -0.40 0.00 0.00 0.00 179.25 179.34 3kvn n ASP 481 N -4.55 4.37 -4.72 0.00 5.68 -1.26 -4.89 116.55 111.18 3kvn n ASP 481 Ca 0.26 -3.32 -0.35 0.00 -0.50 0.00 0.00 54.79 50.88 3kvn n ASP 481 Cb 0.96 -0.73 0.09 0.00 -1.14 0.00 0.00 41.12 40.30 3kvn n ASP 481 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3kvn s SER 482 N -1.32 4.26 0.44 -1.12 0.15 0.10 -4.94 113.70 111.27 3kvn s SER 482 Ca 0.53 2.43 0.24 0.00 0.70 0.00 0.00 55.95 59.86 3kvn s SER 482 Cb 0.43 -2.60 0.62 0.00 -1.71 0.00 0.00 66.02 62.77 3kvn s SER 482 CO 0.11 -2.22 1.70 -0.65 1.20 0.00 0.00 173.24 173.38 3kvn h PRO 483 N -0.10 0.00 -6.73 5.44 0.11 -1.92 -3.45 132.00 125.35 3kvn h PRO 483 Ca -0.48 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.96 3kvn h PRO 483 Cb 1.31 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.19 3kvn h PRO 483 CO 0.50 0.13 -0.86 1.67 -0.21 0.00 0.00 178.00 179.23 3kvn s TRP 484 N -3.35 2.21 -0.00 0.65 1.48 -1.26 -1.17 118.94 117.50 3kvn s TRP 484 Ca 0.04 -0.39 -0.01 0.00 -1.06 0.00 0.00 56.10 54.68 3kvn s TRP 484 Cb 0.07 -1.22 -0.00 0.00 -1.16 0.00 0.00 33.47 31.16 3kvn s TRP 484 CO 0.65 0.28 0.01 -1.01 -4.06 0.00 0.00 176.95 172.82 3kvn s HIS 485 N -1.03 0.02 -0.09 1.66 3.76 -0.65 -4.78 115.29 114.18 3kvn s HIS 485 Ca 0.12 -0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 54.95 3kvn s HIS 485 Cb -0.10 -0.02 0.05 0.00 1.11 0.00 0.00 32.58 33.62 3kvn s HIS 485 CO 0.05 -0.04 0.19 -1.17 -0.85 0.00 0.00 174.74 172.92 3kvn s LEU 486 N -0.24 -0.03 -0.10 0.89 2.96 -1.26 -0.78 118.68 120.11 3kvn s LEU 486 Ca -0.03 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3kvn s LEU 486 Cb -0.02 0.41 0.05 0.00 0.50 0.00 0.00 46.19 47.14 3kvn s LEU 486 CO -0.00 -0.23 0.19 -0.55 -1.32 0.00 0.00 176.35 174.44 3kvn s SER 487 N 2.16 0.60 0.48 3.68 0.15 0.13 0.21 113.70 121.12 3kvn s SER 487 Ca 0.01 0.42 -0.21 0.00 0.70 0.00 0.00 55.95 56.87 3kvn s SER 487 Cb -0.12 0.41 -0.08 0.00 -1.71 0.00 0.00 66.02 64.52 3kvn s SER 487 CO -0.07 -0.24 1.06 -2.84 1.20 0.00 0.00 173.24 172.35 3kvn s PRO 488 N 2.31 3.78 0.12 5.44 0.02 -1.26 -0.87 135.00 144.55 3kvn s PRO 488 Ca 0.02 1.43 -0.13 0.00 0.02 0.00 0.00 61.00 62.34 3kvn s PRO 488 Cb -0.12 -2.14 0.02 0.00 0.02 0.00 0.00 34.50 32.28 3kvn s PRO 488 CO -0.07 -0.46 0.32 -0.59 -0.33 0.00 0.00 177.00 175.88 3kvn s PHE 489 N -1.90 -0.01 0.06 6.54 -0.12 0.00 -2.97 117.98 119.58 3kvn s PHE 489 Ca 0.67 -0.36 0.09 0.00 -0.05 0.00 0.00 56.93 57.28 3kvn s PHE 489 Cb -0.18 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 3kvn s PHE 489 CO 0.22 -0.67 -0.24 0.14 -0.05 0.00 0.00 175.22 174.62 3kvn s VAL 490 N -3.85 2.33 0.15 -2.49 -7.23 -0.12 -0.81 120.40 108.37 3kvn s VAL 490 Ca 0.06 -1.40 0.08 0.00 -1.81 0.00 0.00 61.98 58.91 3kvn s VAL 490 Cb 0.03 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3kvn s VAL 490 CO -0.10 0.32 -0.18 -0.94 -0.31 0.00 0.00 175.10 173.89 3kvn s SER 491 N -1.42 2.53 -0.00 4.85 1.04 0.72 -0.99 113.70 120.44 3kvn s SER 491 Ca 0.13 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.75 3kvn s SER 491 Cb -0.10 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 3kvn s SER 491 CO 0.03 -0.04 -0.08 0.00 0.98 0.00 0.00 173.24 174.13 3kvn s ALA 492 N -1.96 0.67 -0.05 5.32 0.00 0.25 -0.70 121.76 125.29 3kvn s ALA 492 Ca 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 3kvn s ALA 492 Cb -0.06 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 22.94 3kvn s ALA 492 CO 0.06 0.15 0.11 -0.51 0.00 0.00 0.00 175.76 175.57 3kvn s ASP 493 N -0.30 -0.06 0.03 0.00 1.11 -0.27 -1.20 116.67 115.98 3kvn s ASP 493 Ca 0.02 0.22 0.08 0.00 0.18 0.00 0.00 52.55 53.05 3kvn s ASP 493 Cb -0.04 0.11 -0.02 0.00 1.07 0.00 0.00 42.92 44.04 3kvn s ASP 493 CO -0.00 -0.14 -0.23 -0.47 1.18 0.00 0.00 175.17 175.51 3kvn s TYR 494 N 1.14 2.03 -0.24 4.23 5.04 -0.31 -1.21 117.35 128.03 3kvn s TYR 494 Ca -0.09 -0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 54.07 3kvn s TYR 494 Cb -0.12 -1.24 0.11 0.00 0.35 0.00 0.00 41.96 41.06 3kvn s TYR 494 CO -0.05 0.06 0.51 0.00 -1.34 0.00 0.00 175.55 174.74 3kvn s ALA 495 N -0.72 -1.53 -0.24 3.97 0.00 -0.80 -0.96 121.76 121.48 3kvn s ALA 495 Ca 0.09 1.83 -0.04 0.00 0.00 0.00 0.00 51.96 53.84 3kvn s ALA 495 Cb -0.09 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 3kvn s ALA 495 CO 0.01 -0.85 -0.02 0.50 0.00 0.00 0.00 175.76 175.40 3kvn s ARG 496 N 2.73 3.27 -0.16 0.00 3.52 -0.45 -0.08 118.95 127.78 3kvn s ARG 496 Ca -0.03 -0.70 -0.05 0.00 -0.13 0.00 0.00 55.73 54.83 3kvn s ARG 496 Cb -0.12 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 3kvn s ARG 496 CO -0.15 -0.26 0.00 0.08 -0.81 0.00 0.00 175.30 174.16 3kvn s VAL 497 N 1.47 4.25 -0.09 7.11 1.01 -0.67 -2.11 120.40 131.37 3kvn s VAL 497 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3kvn s VAL 497 Cb -0.15 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3kvn s VAL 497 CO -0.02 0.50 -0.07 -1.83 0.00 0.00 0.00 175.10 173.67 3kvn s GLU 498 N 0.22 1.32 -0.16 2.72 4.04 -0.34 -0.58 118.70 125.92 3kvn s GLU 498 Ca 0.00 -0.21 -0.02 0.00 0.04 0.00 0.00 54.97 54.78 3kvn s GLU 498 Cb -0.13 -1.35 -0.01 0.00 0.02 0.00 0.00 34.13 32.66 3kvn s GLU 498 CO 0.02 -0.19 -0.09 0.54 -1.84 0.00 0.00 175.26 173.71 3kvn s VAL 499 N 1.42 3.28 0.49 1.83 0.11 0.86 -1.00 120.40 127.40 3kvn s VAL 499 Ca -0.01 -0.56 -0.24 0.00 -2.93 0.00 0.00 61.98 58.24 3kvn s VAL 499 Cb -0.13 -2.43 -0.07 0.00 -1.53 0.00 0.00 36.38 32.22 3kvn s VAL 499 CO -0.04 0.49 1.36 -1.81 -3.33 0.00 0.00 175.10 171.77 3kvn s ASP 500 N 0.71 5.67 0.97 3.54 1.01 0.19 -0.18 116.67 128.59 3kvn s ASP 500 Ca -0.04 2.77 -0.11 0.00 0.71 0.00 0.00 52.55 55.88 3kvn s ASP 500 Cb -0.15 -2.64 0.17 0.00 1.01 0.00 0.00 42.92 41.32 3kvn s ASP 500 CO 0.02 -1.30 1.10 -0.83 0.21 0.00 0.00 175.17 174.38 3kvn s GLY 501 N -0.80 1.64 0.23 0.21 0.00 -1.21 -4.59 107.32 102.79 3kvn s GLY 501 Ca 0.65 0.31 -0.21 0.00 0.00 0.00 0.00 44.72 45.47 3kvn s GLY 501 CO 0.50 0.81 0.66 -2.52 0.00 0.00 0.00 173.10 172.55 3kvn s TYR 502 N -2.65 -0.32 -0.21 1.90 -0.85 -0.82 -4.85 117.35 109.55 3kvn s TYR 502 Ca 0.66 -0.03 -0.04 0.00 -0.52 0.00 0.00 57.07 57.14 3kvn s TYR 502 Cb -0.22 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 42.73 3kvn s TYR 502 CO 0.59 -1.06 -0.05 0.45 -1.52 0.00 0.00 175.55 173.96 3kvn s SER 503 N -2.85 4.28 0.50 -0.18 0.15 -1.26 -0.14 113.70 114.20 3kvn s SER 503 Ca 0.07 -0.39 -0.22 0.00 0.70 0.00 0.00 55.95 56.11 3kvn s SER 503 Cb -0.04 -1.73 -0.07 0.00 -1.71 0.00 0.00 66.02 62.47 3kvn s SER 503 CO -0.02 -0.01 1.15 -0.62 1.20 0.00 0.00 173.24 174.94 3kvn n GLU 504 N 4.70 1.46 -1.84 5.44 1.02 -0.34 -4.86 120.64 126.22 3kvn n GLU 504 Ca -0.18 0.53 -0.39 0.00 -0.02 0.00 0.00 57.16 57.10 3kvn n GLU 504 Cb 0.51 -2.29 0.03 0.00 -0.02 0.00 0.00 31.44 29.67 3kvn n GLU 504 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kvn s LYS 505 N -2.46 3.41 2.06 3.49 -0.14 0.55 -4.77 119.74 121.88 3kvn s LYS 505 Ca 0.68 2.25 0.00 0.00 -1.36 0.00 0.00 55.97 57.54 3kvn s LYS 505 Cb -0.47 -2.42 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 3kvn s LYS 505 CO 0.53 -0.98 0.00 0.41 -0.76 0.00 0.00 175.35 174.55 3kvn n GLY 506 N 0.65 -0.89 2.69 -3.33 0.00 -1.26 -4.73 105.19 98.32 3kvn n GLY 506 Ca 0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.93 3kvn n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvn n ALA 507 N 1.30 2.72 -0.50 4.61 0.00 -1.26 -4.94 120.51 122.44 3kvn n ALA 507 Ca 0.00 -2.06 -0.29 0.00 0.00 0.00 0.00 53.44 51.09 3kvn n ALA 507 Cb 0.00 -0.84 0.25 0.00 0.00 0.00 0.00 19.45 18.86 3kvn n ALA 507 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kvn n SER 508 N -0.89 -2.06 0.26 0.00 3.41 -1.26 -4.58 113.62 108.49 3kvn n SER 508 Ca -0.03 -0.21 0.13 0.00 -0.26 0.00 0.00 58.87 58.50 3kvn n SER 508 Cb 0.84 -1.17 0.69 0.00 -0.26 0.00 0.00 64.21 64.31 3kvn n SER 508 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kvn h ALA 509 N -2.64 1.17 -0.02 7.33 0.00 -1.92 -2.85 119.26 120.33 3kvn h ALA 509 Ca -0.62 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3kvn h ALA 509 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kvn h ALA 509 CO 0.47 0.16 -0.29 0.25 0.00 0.00 0.00 179.25 179.83 3kvn n THR 510 N -3.48 0.00 -2.43 0.00 -2.24 -1.26 -4.79 114.28 100.07 3kvn n THR 510 Ca -0.01 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 3kvn n THR 510 Cb 0.28 1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 3kvn n THR 510 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvn s ALA 511 N -2.30 3.38 0.13 6.98 0.00 -1.07 -4.94 121.76 123.95 3kvn s ALA 511 Ca 0.22 0.84 0.07 0.00 0.00 0.00 0.00 51.96 53.10 3kvn s ALA 511 Cb 0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3kvn s ALA 511 CO 0.47 -0.41 -0.08 -0.51 0.00 0.00 0.00 175.76 175.23 3kvn s LEU 512 N 0.90 3.08 -0.18 0.00 1.43 -1.26 -0.61 118.68 122.03 3kvn s LEU 512 Ca 0.58 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3kvn s LEU 512 Cb -0.29 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.10 3kvn s LEU 512 CO 0.30 0.15 -0.15 -0.62 0.23 0.00 0.00 176.35 176.26 3kvn s ASP 513 N -2.43 3.54 0.06 2.29 -1.08 0.18 -1.20 116.67 118.03 3kvn s ASP 513 Ca 0.23 -0.54 0.02 0.00 -0.52 0.00 0.00 52.55 51.73 3kvn s ASP 513 Cb -0.10 -1.56 -0.04 0.00 -1.46 0.00 0.00 42.92 39.75 3kvn s ASP 513 CO 0.15 0.02 0.10 -0.31 0.52 0.00 0.00 175.17 175.64 3kvn s TYR 514 N 1.22 3.26 0.78 -5.34 2.02 0.81 -1.77 117.35 118.33 3kvn s TYR 514 Ca 0.03 0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 56.74 3kvn s TYR 514 Cb -0.14 -1.66 0.07 0.00 -0.40 0.00 0.00 41.96 39.83 3kvn s TYR 514 CO -0.07 0.54 1.14 -0.51 -1.57 0.00 0.00 175.55 175.08 3kvn s ASP 515 N -2.28 4.65 0.51 2.29 1.11 -0.27 -1.95 116.67 120.74 3kvn s ASP 515 Ca 0.29 0.77 -0.22 0.00 0.18 0.00 0.00 52.55 53.57 3kvn s ASP 515 Cb -0.12 -1.32 -0.07 0.00 1.07 0.00 0.00 42.92 42.48 3kvn s ASP 515 CO 0.21 -1.80 1.11 0.47 1.18 0.00 0.00 175.17 176.35 3kvn n ASP 516 N -3.22 1.62 -4.13 0.27 8.00 -1.26 -3.36 116.55 114.47 3kvn n ASP 516 Ca 0.08 0.96 -0.27 0.00 0.71 0.00 0.00 54.79 56.27 3kvn n ASP 516 Cb 0.60 -1.44 -0.16 0.00 -0.02 0.00 0.00 41.12 40.10 3kvn n ASP 516 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3kvn s GLN 517 N -2.49 1.90 0.01 -1.24 0.74 0.75 -4.78 119.66 114.56 3kvn s GLN 517 Ca 0.69 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 55.48 3kvn s GLN 517 Cb -0.47 -1.62 -0.01 0.00 1.10 0.00 0.00 33.01 32.01 3kvn s GLN 517 CO 0.52 0.22 -0.03 -1.59 -0.55 0.00 0.00 175.29 173.86 3kvn s LYS 518 N 0.12 0.26 -0.10 1.67 -2.85 -1.26 -0.10 119.74 117.49 3kvn s LYS 518 Ca -0.06 -0.39 -0.04 0.00 -1.00 0.00 0.00 55.97 54.48 3kvn s LYS 518 Cb -0.13 -0.05 0.05 0.00 -2.06 0.00 0.00 37.83 35.65 3kvn s LYS 518 CO 0.03 0.00 0.19 0.50 0.10 0.00 0.00 175.35 176.18 3kvn s ARG 519 N -0.85 0.08 0.04 1.78 6.06 0.26 -5.01 118.95 121.31 3kvn s ARG 519 Ca -0.08 0.60 0.01 0.00 -2.50 0.00 0.00 55.73 53.77 3kvn s ARG 519 Cb -0.06 -0.18 -0.04 0.00 0.06 0.00 0.00 34.95 34.73 3kvn s ARG 519 CO -0.00 -0.28 0.08 -1.12 -2.50 0.00 0.00 175.30 171.48 3kvn s SER 520 N 2.19 5.61 -0.11 -2.12 0.01 -1.26 -1.66 113.70 116.35 3kvn s SER 520 Ca 0.01 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.36 3kvn s SER 520 Cb -0.12 -1.57 0.01 0.00 0.21 0.00 0.00 66.02 64.56 3kvn s SER 520 CO -0.07 0.22 -0.17 -0.55 0.41 0.00 0.00 173.24 173.09 3kvn s SER 521 N -2.05 2.57 -0.24 2.44 0.15 0.88 -4.75 113.70 112.71 3kvn s SER 521 Ca 0.26 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.47 3kvn s SER 521 Cb -0.12 -1.16 0.05 0.00 -1.71 0.00 0.00 66.02 63.08 3kvn s SER 521 CO 0.18 0.03 -0.10 -0.54 1.20 0.00 0.00 173.24 174.01 3kvn s LYS 522 N 0.94 2.12 -0.03 5.44 1.02 -1.26 -1.91 119.74 126.06 3kvn s LYS 522 Ca -0.07 -1.15 0.05 0.00 0.02 0.00 0.00 55.97 54.82 3kvn s LYS 522 Cb -0.15 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 3kvn s LYS 522 CO -0.01 -0.53 -0.18 1.03 -0.92 0.00 0.00 175.35 174.74 3kvn s ARG 523 N 1.23 1.70 -0.08 1.68 0.52 -0.35 -0.02 118.95 123.63 3kvn s ARG 523 Ca -0.06 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 3kvn s ARG 523 Cb -0.19 -1.52 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 3kvn s ARG 523 CO -0.06 0.29 -0.18 -0.51 0.02 0.00 0.00 175.30 174.85 3kvn s LEU 524 N -0.10 2.47 0.13 2.53 1.43 -0.89 -1.12 118.68 123.12 3kvn s LEU 524 Ca -0.01 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3kvn s LEU 524 Cb -0.10 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3kvn s LEU 524 CO 0.01 0.25 -0.07 -0.83 0.23 0.00 0.00 176.35 175.95 3kvn s GLY 525 N -0.18 0.94 0.02 -3.19 0.00 0.12 -0.94 107.32 104.09 3kvn s GLY 525 Ca -0.01 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.29 3kvn s GLY 525 CO 0.03 -1.51 -0.07 0.00 0.00 0.00 0.00 173.10 171.55 3kvn s ALA 526 N -3.53 0.52 0.35 3.20 0.00 -0.89 -0.20 121.76 121.21 3kvn s ALA 526 Ca 0.15 -0.56 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 3kvn s ALA 526 Cb 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.19 3kvn s ALA 526 CO -0.02 0.03 0.77 0.20 0.00 0.00 0.00 175.76 176.74 3kvn s GLY 527 N -1.02 0.22 -0.06 0.00 0.00 0.01 -1.27 107.32 105.20 3kvn s GLY 527 Ca -0.05 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.08 3kvn s GLY 527 CO 0.00 -0.21 -0.10 -2.27 0.00 0.00 0.00 173.10 170.52 3kvn s LEU 528 N -3.02 1.53 0.11 0.66 2.96 -0.05 -0.82 118.68 120.05 3kvn s LEU 528 Ca 0.14 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 3kvn s LEU 528 Cb -0.05 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 3kvn s LEU 528 CO 0.10 -0.00 -0.17 0.00 -1.32 0.00 0.00 176.35 174.96 3kvn s GLN 529 N 0.81 1.05 0.27 1.98 -2.07 -0.05 -1.06 119.66 120.58 3kvn s GLN 529 Ca -0.12 -1.17 -0.20 0.00 -1.82 0.00 0.00 55.36 52.04 3kvn s GLN 529 Cb -0.15 -1.11 0.02 0.00 -1.09 0.00 0.00 33.01 30.68 3kvn s GLN 529 CO 0.02 0.24 0.68 0.20 -1.32 0.00 0.00 175.29 175.11 3kvn s GLY 530 N -2.14 -0.04 0.19 2.60 0.00 -0.36 0.17 107.32 107.74 3kvn s GLY 530 Ca 0.07 -0.33 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 3kvn s GLY 530 CO 0.04 -0.14 0.67 -1.59 0.00 0.00 0.00 173.10 172.07 3kvn s LYS 531 N -3.92 1.42 -0.05 2.90 -2.85 0.04 -1.35 119.74 115.92 3kvn s LYS 531 Ca 0.12 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 3kvn s LYS 531 Cb -0.05 0.58 0.02 0.00 -2.06 0.00 0.00 37.83 36.32 3kvn s LYS 531 CO 0.06 -0.63 -0.03 -0.47 0.10 0.00 0.00 175.35 174.38 3kvn s TYR 532 N -3.76 0.67 -0.14 1.78 5.04 0.65 -1.64 117.35 119.96 3kvn s TYR 532 Ca 0.05 -0.17 -0.14 0.00 -2.44 0.00 0.00 57.07 54.36 3kvn s TYR 532 Cb -0.03 -0.66 -0.05 0.00 0.35 0.00 0.00 41.96 41.57 3kvn s TYR 532 CO -0.06 -0.22 0.33 0.00 -1.34 0.00 0.00 175.55 174.26 3kvn s ALA 533 N 1.19 3.59 -0.93 3.97 0.00 -0.31 -1.20 121.76 128.07 3kvn s ALA 533 Ca -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3kvn s ALA 533 Cb -0.14 -2.42 0.32 0.00 0.00 0.00 0.00 23.12 20.89 3kvn s ALA 533 CO -0.02 0.14 1.64 1.19 0.00 0.00 0.00 175.76 178.72 3kvn n PHE 534 N 3.34 3.05 -1.77 0.00 3.72 0.14 -4.83 117.46 121.10 3kvn n PHE 534 Ca -0.12 -2.86 -0.00 0.00 -0.05 0.00 0.00 57.45 54.42 3kvn n PHE 534 Cb 0.52 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 3kvn n PHE 534 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kvn n GLY 535 N -0.11 -0.46 4.00 1.37 0.00 -1.26 -4.22 105.19 104.52 3kvn n GLY 535 Ca 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3kvn n GLY 535 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kvn n SER 536 N -1.14 0.00 -0.06 1.61 3.41 -1.26 -4.27 113.62 111.91 3kvn n SER 536 Ca -0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 3kvn n SER 536 Cb 0.50 -1.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.16 3kvn n SER 536 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kvn n ASP 537 N 0.00 2.49 -3.90 4.04 8.00 -1.26 -4.79 116.55 121.13 3kvn n ASP 537 Ca 0.00 -0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.34 3kvn n ASP 537 Cb 0.00 0.34 -0.14 0.00 -0.02 0.00 0.00 41.12 41.31 3kvn n ASP 537 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kvn s THR 538 N -2.28 0.09 0.01 -3.53 -1.32 -1.26 0.27 115.64 107.62 3kvn s THR 538 Ca -0.12 -0.16 -0.08 0.00 -1.21 0.00 0.00 61.69 60.12 3kvn s THR 538 Cb 0.04 -0.11 0.00 0.00 -1.51 0.00 0.00 72.50 70.93 3kvn s THR 538 CO 0.41 -0.04 0.17 0.00 -2.21 0.00 0.00 174.62 172.94 3kvn s GLN 539 N -0.21 0.56 -0.04 7.08 -2.07 0.01 0.26 119.66 125.24 3kvn s GLN 539 Ca -0.02 -0.45 0.05 0.00 -1.82 0.00 0.00 55.36 53.12 3kvn s GLN 539 Cb -0.02 0.23 -0.01 0.00 -1.09 0.00 0.00 33.01 32.13 3kvn s GLN 539 CO -0.00 -0.14 -0.20 -0.51 -1.32 0.00 0.00 175.29 173.12 3kvn s LEU 540 N -1.58 1.99 0.05 2.60 1.43 -0.34 -1.27 118.68 121.54 3kvn s LEU 540 Ca -0.12 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 3kvn s LEU 540 Cb -0.05 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 3kvn s LEU 540 CO 0.00 0.20 -0.04 0.72 0.23 0.00 0.00 176.35 177.46 3kvn s PHE 541 N -0.17 0.53 0.17 0.29 -0.12 -0.79 -0.25 117.98 117.65 3kvn s PHE 541 Ca -0.00 -0.80 -0.16 0.00 -0.05 0.00 0.00 56.93 55.92 3kvn s PHE 541 Cb -0.11 -0.36 0.02 0.00 -0.63 0.00 0.00 43.02 41.95 3kvn s PHE 541 CO 0.02 -0.24 0.45 0.00 -0.05 0.00 0.00 175.22 175.40 3kvn s ALA 542 N -2.79 -0.77 -0.02 1.99 0.00 -0.46 -1.30 121.76 118.41 3kvn s ALA 542 Ca -0.01 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.44 3kvn s ALA 542 Cb -0.00 0.81 0.04 0.00 0.00 0.00 0.00 23.12 23.97 3kvn s ALA 542 CO -0.05 -0.74 0.46 -1.83 0.00 0.00 0.00 175.76 173.61 3kvn s GLU 543 N -3.87 0.84 0.01 0.00 -1.05 -0.48 -1.22 118.70 112.93 3kvn s GLU 543 Ca 0.09 -0.04 0.07 0.00 -0.15 0.00 0.00 54.97 54.94 3kvn s GLU 543 Cb 0.00 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 3kvn s GLU 543 CO -0.05 -0.25 -0.21 -0.47 0.95 0.00 0.00 175.26 175.23 3kvn s TYR 544 N -1.39 1.89 -0.02 4.83 5.04 -0.22 -0.76 117.35 126.72 3kvn s TYR 544 Ca -0.12 -0.37 -0.06 0.00 -2.44 0.00 0.00 57.07 54.08 3kvn s TYR 544 Cb -0.03 -1.17 0.01 0.00 0.35 0.00 0.00 41.96 41.11 3kvn s TYR 544 CO 0.06 0.03 0.13 0.00 -1.34 0.00 0.00 175.55 174.43 3kvn s ALA 545 N -0.64 -0.32 -0.15 3.97 0.00 -0.25 -0.87 121.76 123.50 3kvn s ALA 545 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3kvn s ALA 545 Cb -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3kvn s ALA 545 CO 0.00 -0.16 -0.20 -1.58 0.00 0.00 0.00 175.76 173.83 3kvn s HIS 546 N -0.87 2.61 0.22 0.00 2.46 -0.39 -1.23 115.29 118.09 3kvn s HIS 546 Ca -0.10 -1.43 0.10 0.00 0.47 0.00 0.00 55.06 54.11 3kvn s HIS 546 Cb -0.05 -1.81 -0.04 0.00 -0.13 0.00 0.00 32.58 30.55 3kvn s HIS 546 CO 0.01 -0.69 -0.10 -1.21 -2.47 0.00 0.00 174.74 170.28 3kvn s GLU 547 N 1.08 2.01 -0.11 2.88 2.02 -0.02 -2.10 118.70 124.47 3kvn s GLU 547 Ca -0.01 -1.40 0.03 0.00 0.02 0.00 0.00 54.97 53.61 3kvn s GLU 547 Cb -0.14 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 3kvn s GLU 547 CO -0.07 0.40 -0.20 0.50 0.02 0.00 0.00 175.26 175.91 3kvn s ARG 548 N -3.10 3.11 -0.17 1.61 3.00 -0.12 -1.81 118.95 121.47 3kvn s ARG 548 Ca 0.27 -0.81 -0.20 0.00 -1.00 0.00 0.00 55.73 53.98 3kvn s ARG 548 Cb -0.08 -2.41 -0.03 0.00 0.00 0.00 0.00 34.95 32.44 3kvn s ARG 548 CO 0.16 0.22 0.60 -1.21 0.00 0.00 0.00 175.30 175.07 3kvn s GLU 549 N 0.27 4.26 0.02 5.12 0.41 0.43 -2.09 118.70 127.12 3kvn s GLU 549 Ca -0.14 0.60 0.22 0.00 -0.41 0.00 0.00 54.97 55.25 3kvn s GLU 549 Cb -0.17 -3.53 -0.13 0.00 -1.78 0.00 0.00 34.13 28.52 3kvn s GLU 549 CO 0.07 -0.12 0.83 0.66 -0.49 0.00 0.00 175.26 176.22 3kvn n TYR 550 N 4.60 0.16 -3.04 1.61 4.01 0.98 -4.48 117.16 120.99 3kvn n TYR 550 Ca -0.03 0.05 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 3kvn n TYR 550 Cb 0.50 -0.38 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 3kvn n TYR 550 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kvn n GLU 551 N -1.98 4.21 -1.15 -0.72 -0.58 -1.26 -4.80 120.64 114.36 3kvn n GLU 551 Ca 0.01 -4.47 -0.13 0.00 -0.42 0.00 0.00 57.16 52.15 3kvn n GLU 551 Cb 0.46 -2.55 0.15 0.00 -0.57 0.00 0.00 31.44 28.92 3kvn n GLU 551 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3kvn n ASP 552 N 1.83 3.62 -4.80 1.62 5.75 -1.26 -4.69 116.55 118.62 3kvn n ASP 552 Ca 0.26 -3.79 -0.36 0.00 -0.01 0.00 0.00 54.79 50.89 3kvn n ASP 552 Cb 0.35 -0.61 -0.06 0.00 -1.03 0.00 0.00 41.12 39.76 3kvn n ASP 552 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3kvn s ASP 553 N -2.70 7.19 0.23 -1.12 1.11 -1.26 -4.61 116.67 115.50 3kvn s ASP 553 Ca 0.49 1.64 -0.32 0.00 0.18 0.00 0.00 52.55 54.54 3kvn s ASP 553 Cb 0.42 -2.51 -0.12 0.00 1.07 0.00 0.00 42.92 41.78 3kvn s ASP 553 CO 0.00 -0.04 1.65 0.41 1.18 0.00 0.00 175.17 178.37 3kvn n THR 554 N 0.55 0.35 -1.97 -1.27 -1.04 -1.26 -4.25 114.28 105.39 3kvn n THR 554 Ca 0.00 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.05 61.63 3kvn n THR 554 Cb 0.51 -1.88 0.02 0.00 -1.82 0.00 0.00 70.33 67.16 3kvn n THR 554 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3kvn s GLN 555 N 0.56 3.37 0.07 -2.82 -1.52 0.20 -4.90 119.66 114.62 3kvn s GLN 555 Ca 0.72 0.59 -0.04 0.00 -1.95 0.00 0.00 55.36 54.68 3kvn s GLN 555 Cb -0.54 -2.10 -0.02 0.00 -0.22 0.00 0.00 33.01 30.13 3kvn s GLN 555 CO 0.39 -0.66 0.06 0.16 -0.25 0.00 0.00 175.29 174.99 3kvn s ASP 556 N -4.23 0.33 -0.06 5.90 1.47 -1.26 0.56 116.67 119.39 3kvn s ASP 556 Ca 0.55 -0.86 0.02 0.00 1.18 0.00 0.00 52.55 53.44 3kvn s ASP 556 Cb -0.11 0.26 0.01 0.00 -0.34 0.00 0.00 42.92 42.74 3kvn s ASP 556 CO 0.52 -0.66 -0.13 -0.22 0.68 0.00 0.00 175.17 175.37 3kvn s LEU 557 N -2.90 1.68 -0.11 2.11 2.96 -0.09 -4.92 118.68 117.41 3kvn s LEU 557 Ca 0.07 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 3kvn s LEU 557 Cb 0.07 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 3kvn s LEU 557 CO -0.10 0.05 0.18 -0.89 -1.32 0.00 0.00 176.35 174.26 3kvn s THR 558 N 0.58 5.44 0.28 3.68 2.01 -1.26 -1.32 115.64 125.05 3kvn s THR 558 Ca -0.13 0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.96 3kvn s THR 558 Cb -0.15 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 68.95 3kvn s THR 558 CO 0.04 0.61 0.80 0.00 -0.69 0.00 0.00 174.62 175.37 3kvn s MET 559 N -0.98 1.76 0.10 4.92 0.00 -0.18 -1.11 119.30 123.82 3kvn s MET 559 Ca 0.16 -1.03 -0.14 0.00 0.00 0.00 0.00 55.69 54.68 3kvn s MET 559 Cb -0.13 0.56 0.02 0.00 0.00 0.00 0.00 34.83 35.29 3kvn s MET 559 CO 0.05 -0.81 0.34 -1.54 0.00 0.00 0.00 175.02 173.05 3kvn s SER 560 N -2.99 -0.13 0.26 -1.18 1.04 -0.73 -0.74 113.70 109.24 3kvn s SER 560 Ca 0.13 -0.37 -0.29 0.00 0.48 0.00 0.00 55.95 55.89 3kvn s SER 560 Cb -0.05 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 3kvn s SER 560 CO 0.07 -0.78 1.16 -0.76 0.98 0.00 0.00 173.24 173.91 3kvn s LEU 561 N -2.69 4.51 0.41 2.42 1.02 -1.26 -0.65 118.68 122.45 3kvn s LEU 561 Ca 0.02 2.33 0.13 0.00 0.02 0.00 0.00 54.13 56.63 3kvn s LEU 561 Cb 0.02 -3.63 0.97 0.00 0.02 0.00 0.00 46.19 43.58 3kvn s LEU 561 CO -0.10 -0.26 1.95 0.78 0.02 0.00 0.00 176.35 178.73 3kvn h ASN 562 N 4.10 0.44 1.12 2.29 2.35 -1.15 -0.96 115.58 123.77 3kvn h ASN 562 Ca -0.47 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3kvn h ASN 562 Cb 1.21 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3kvn h ASN 562 CO 0.69 0.26 0.00 -1.54 -1.65 0.00 0.00 177.43 175.18 3kvn n SER 563 N -4.48 0.49 -3.29 5.81 3.41 -1.26 -4.11 113.62 110.18 3kvn n SER 563 Ca 0.12 0.56 -0.25 0.00 -0.26 0.00 0.00 58.87 59.04 3kvn n SER 563 Cb 0.40 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 3kvn n SER 563 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kvn n LEU 564 N -1.98 0.57 0.28 1.04 4.77 -0.37 -5.00 117.00 116.31 3kvn n LEU 564 Ca 0.05 -4.73 0.14 0.00 -0.03 0.00 0.00 56.01 51.44 3kvn n LEU 564 Cb 0.35 0.40 0.81 0.00 -2.33 0.00 0.00 43.42 42.65 3kvn n LEU 564 CO 0.26 2.01 1.03 -0.65 -1.33 0.00 0.00 177.39 178.70 3kvn h PRO 565 N 4.45 0.00 -0.18 3.23 0.11 -1.70 -2.81 132.00 135.11 3kvn h PRO 565 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kvn h PRO 565 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kvn h PRO 565 CO 0.50 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 3kvn n GLY 566 N -0.80 0.44 2.91 -0.55 0.00 -1.26 -4.61 105.19 101.33 3kvn n GLY 566 Ca -0.02 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3kvn n GLY 566 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kvn s ASN 567 N -1.60 4.57 0.10 1.61 -0.87 -1.06 -4.54 114.94 113.16 3kvn s ASN 567 Ca 0.33 -3.50 -0.12 0.00 -1.57 0.00 0.00 52.86 48.01 3kvn s ASN 567 Cb 0.18 -1.62 -0.06 0.00 -0.02 0.00 0.00 41.25 39.73 3kvn s ASN 567 CO 0.27 -0.15 0.46 -0.13 -2.57 0.00 0.00 177.10 174.98 3kvn s ARG 568 N -0.95 3.85 0.13 -0.60 0.52 -1.26 -4.47 118.95 116.17 3kvn s ARG 568 Ca 0.22 0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 55.73 3kvn s ARG 568 Cb -0.13 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 3kvn s ARG 568 CO -0.10 0.54 0.04 -0.59 0.02 0.00 0.00 175.30 175.21 3kvn s PHE 569 N -1.39 0.88 -0.08 -0.53 -0.12 0.09 -4.63 117.98 112.20 3kvn s PHE 569 Ca 0.34 -1.18 0.02 0.00 -0.05 0.00 0.00 56.93 56.06 3kvn s PHE 569 Cb -0.15 -0.51 0.02 0.00 -0.63 0.00 0.00 43.02 41.75 3kvn s PHE 569 CO 0.18 -0.45 -0.12 0.99 -0.05 0.00 0.00 175.22 175.78 3kvn s THR 570 N -3.96 1.15 0.20 -4.49 2.01 -1.26 -1.01 115.64 108.28 3kvn s THR 570 Ca 0.22 -0.46 0.10 0.00 0.31 0.00 0.00 61.69 61.86 3kvn s THR 570 Cb 0.07 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 3kvn s THR 570 CO 0.01 0.37 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.35 3kvn s LEU 571 N 0.90 2.49 0.43 4.42 1.43 -0.43 -4.94 118.68 122.98 3kvn s LEU 571 Ca -0.10 -0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 51.91 3kvn s LEU 571 Cb -0.15 -0.93 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 3kvn s LEU 571 CO 0.01 -0.01 0.88 -1.61 0.23 0.00 0.00 176.35 175.85 3kvn s GLU 572 N -3.07 4.00 0.00 1.70 2.02 -1.26 -0.91 118.70 121.17 3kvn s GLU 572 Ca 0.21 0.84 0.00 0.00 0.02 0.00 0.00 54.97 56.04 3kvn s GLU 572 Cb -0.05 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.92 3kvn s GLU 572 CO 0.09 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.71 3kvn n GLY 573 N -1.01 5.61 3.63 -1.39 0.00 0.19 -4.57 105.19 107.65 3kvn n GLY 573 Ca 0.05 -1.02 -0.46 0.00 0.00 0.00 0.00 46.02 44.59 3kvn n GLY 573 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kvn n TYR 574 N 0.00 1.75 -3.80 1.61 9.36 -1.23 -4.32 117.16 120.53 3kvn n TYR 574 Ca 0.00 0.56 -0.37 0.00 3.32 0.00 0.00 57.90 61.41 3kvn n TYR 574 Cb 0.00 -2.37 -0.13 0.00 -0.63 0.00 0.00 39.34 36.21 3kvn n TYR 574 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3kvn s THR 575 N -0.21 3.55 0.26 2.97 2.01 -1.26 -0.63 115.64 122.32 3kvn s THR 575 Ca 0.69 -1.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 3kvn s THR 575 Cb -0.73 -3.02 -0.11 0.00 0.01 0.00 0.00 72.50 68.65 3kvn s THR 575 CO 0.52 -0.16 1.60 -2.84 -0.69 0.00 0.00 174.62 173.05 3kvn s PRO 576 N 1.36 4.15 0.58 4.92 0.02 -1.26 -4.98 135.00 139.79 3kvn s PRO 576 Ca -0.03 2.52 -0.12 0.00 0.02 0.00 0.00 61.00 63.40 3kvn s PRO 576 Cb -0.20 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 3kvn s PRO 576 CO 0.02 -0.62 1.00 -0.65 -0.33 0.00 0.00 177.00 176.41 3kvn s GLN 577 N 0.02 3.69 0.00 5.54 -1.52 -1.26 -4.59 119.66 121.53 3kvn s GLN 577 Ca 0.66 0.76 0.25 0.00 -1.95 0.00 0.00 55.36 55.08 3kvn s GLN 577 Cb -0.47 -2.12 0.51 0.00 -0.22 0.00 0.00 33.01 30.71 3kvn s GLN 577 CO 0.42 -0.46 1.42 -0.40 -0.25 0.00 0.00 175.29 176.03 3kvn n ASP 578 N -2.39 1.73 -4.13 5.90 5.68 -1.26 -4.54 116.55 117.55 3kvn n ASP 578 Ca 0.06 -1.38 -0.23 0.00 -0.50 0.00 0.00 54.79 52.73 3kvn n ASP 578 Cb 0.54 0.18 -0.15 0.00 -1.14 0.00 0.00 41.12 40.55 3kvn n ASP 578 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3kvn s HIS 579 N -2.31 1.40 0.01 2.11 3.76 -1.26 -0.43 115.29 118.56 3kvn s HIS 579 Ca 0.26 -0.27 -0.03 0.00 -0.15 0.00 0.00 55.06 54.87 3kvn s HIS 579 Cb 0.19 -0.90 -0.01 0.00 1.11 0.00 0.00 32.58 32.97 3kvn s HIS 579 CO 0.46 -0.03 0.05 -0.48 -0.85 0.00 0.00 174.74 173.88 3kvn s LEU 580 N -0.33 1.90 -0.03 0.89 0.05 -0.75 -4.19 118.68 116.22 3kvn s LEU 580 Ca 0.05 -0.28 0.05 0.00 0.05 0.00 0.00 54.13 54.01 3kvn s LEU 580 Cb -0.06 0.33 -0.01 0.00 -2.05 0.00 0.00 46.19 44.40 3kvn s LEU 580 CO -0.00 -0.27 -0.19 0.20 -0.55 0.00 0.00 176.35 175.53 3kvn s ASN 581 N -1.16 2.25 0.01 1.48 0.01 -0.29 -0.84 114.94 116.40 3kvn s ASN 581 Ca -0.13 -0.36 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 3kvn s ASN 581 Cb -0.07 -0.40 -0.01 0.00 0.41 0.00 0.00 41.25 41.18 3kvn s ASN 581 CO 0.00 0.21 -0.04 -0.13 -1.51 0.00 0.00 177.10 175.63 3kvn s ARG 582 N -0.27 0.31 0.04 -0.60 0.52 -0.36 -0.52 118.95 118.07 3kvn s ARG 582 Ca 0.03 -0.32 0.07 0.00 -0.52 0.00 0.00 55.73 54.99 3kvn s ARG 582 Cb -0.09 -0.19 -0.02 0.00 0.52 0.00 0.00 34.95 35.17 3kvn s ARG 582 CO 0.00 0.04 -0.19 0.14 0.02 0.00 0.00 175.30 175.32 3kvn s VAL 583 N -0.56 1.53 -0.04 3.52 -7.23 -0.76 -1.08 120.40 115.78 3kvn s VAL 583 Ca -0.04 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 3kvn s VAL 583 Cb -0.04 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.56 3kvn s VAL 583 CO -0.00 0.16 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.41 3kvn s SER 584 N -1.17 1.36 0.09 4.85 0.01 0.06 -1.64 113.70 117.26 3kvn s SER 584 Ca 0.06 -0.21 0.10 0.00 1.31 0.00 0.00 55.95 57.21 3kvn s SER 584 Cb -0.09 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 3kvn s SER 584 CO 0.02 0.05 -0.26 -0.76 0.41 0.00 0.00 173.24 172.70 3kvn s LEU 585 N 0.35 2.30 0.18 2.44 1.43 -0.08 -1.38 118.68 123.92 3kvn s LEU 585 Ca -0.06 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.20 3kvn s LEU 585 Cb -0.11 -1.29 0.04 0.00 0.03 0.00 0.00 46.19 44.86 3kvn s LEU 585 CO 0.01 0.22 0.53 -0.83 0.23 0.00 0.00 176.35 176.51 3kvn s GLY 586 N -1.68 -0.27 0.04 -3.19 0.00 -0.42 0.04 107.32 101.84 3kvn s GLY 586 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 3kvn s GLY 586 CO 0.05 -0.15 0.05 -0.11 0.00 0.00 0.00 173.10 172.94 3kvn s PHE 587 N -3.83 0.29 -0.04 1.90 -0.12 -0.57 -1.88 117.98 113.74 3kvn s PHE 587 Ca 0.06 -0.66 0.01 0.00 -0.05 0.00 0.00 56.93 56.29 3kvn s PHE 587 Cb -0.01 -0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.19 3kvn s PHE 587 CO -0.07 -0.35 -0.05 0.45 -0.05 0.00 0.00 175.22 175.16 3kvn s SER 588 N -2.25 0.92 -0.12 1.98 0.15 -0.40 -1.85 113.70 112.13 3kvn s SER 588 Ca -0.03 -0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.48 3kvn s SER 588 Cb -0.00 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 63.90 3kvn s SER 588 CO -0.06 -0.05 -0.05 -1.58 1.20 0.00 0.00 173.24 172.71 3kvn s GLN 589 N 0.88 1.26 0.20 5.44 2.00 0.65 -0.81 119.66 129.28 3kvn s GLN 589 Ca -0.12 -0.26 -0.31 0.00 -2.00 0.00 0.00 55.36 52.67 3kvn s GLN 589 Cb -0.14 -1.61 -0.10 0.00 0.80 0.00 0.00 33.01 31.95 3kvn s GLN 589 CO 0.00 -0.34 1.56 0.15 -0.50 0.00 0.00 175.29 176.16 3kvn s LYS 590 N 1.75 4.20 -0.03 1.67 1.02 0.14 0.03 119.74 128.53 3kvn s LYS 590 Ca 0.03 2.40 0.21 0.00 0.02 0.00 0.00 55.97 58.64 3kvn s LYS 590 Cb -0.13 -3.12 -0.32 0.00 -0.52 0.00 0.00 37.83 33.74 3kvn s LYS 590 CO -0.07 -0.59 0.52 1.28 -0.92 0.00 0.00 175.35 175.57 3kvn n LEU 591 N 3.48 0.13 -3.59 3.17 4.77 0.27 -4.87 117.00 120.36 3kvn n LEU 591 Ca 0.12 -0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3kvn n LEU 591 Cb 0.38 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3kvn n LEU 591 CO 0.62 0.03 0.85 0.00 -1.33 0.00 0.00 177.39 177.56 3kvn s ALA 592 N -3.40 -1.94 0.09 -1.18 0.00 -1.00 -4.99 121.76 109.34 3kvn s ALA 592 Ca -0.06 1.04 -0.36 0.00 0.00 0.00 0.00 51.96 52.59 3kvn s ALA 592 Cb 0.14 0.26 -0.15 0.00 0.00 0.00 0.00 23.12 23.37 3kvn s ALA 592 CO 0.88 -0.76 1.48 -2.30 0.00 0.00 0.00 175.76 175.06 3kvn n PRO 593 N -0.26 1.61 0.00 0.00 -0.02 -1.26 -1.53 135.00 133.54 3kvn n PRO 593 Ca -0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3kvn n PRO 593 Cb 0.61 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3kvn n PRO 593 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kvn n GLU 594 N 3.20 0.00 -3.90 -0.52 1.02 -1.26 -5.00 120.64 114.18 3kvn n GLU 594 Ca 0.18 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.03 3kvn n GLU 594 Cb 0.23 -1.00 -0.16 0.00 -0.02 0.00 0.00 31.44 30.49 3kvn n GLU 594 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3kvn s LEU 595 N 0.00 1.91 -0.05 -4.62 2.96 -0.58 -1.34 118.68 116.95 3kvn s LEU 595 Ca 0.00 -0.85 0.04 0.00 -0.22 0.00 0.00 54.13 53.09 3kvn s LEU 595 Cb 0.00 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 3kvn s LEU 595 CO 0.00 -0.21 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.23 3kvn s SER 596 N 1.56 3.91 -0.09 3.68 0.01 -0.21 0.94 113.70 123.52 3kvn s SER 596 Ca -0.02 -0.24 -0.15 0.00 1.31 0.00 0.00 55.95 56.86 3kvn s SER 596 Cb -0.17 -0.85 -0.05 0.00 0.21 0.00 0.00 66.02 65.17 3kvn s SER 596 CO -0.07 0.33 0.39 -0.22 0.41 0.00 0.00 173.24 174.07 3kvn s LEU 597 N -0.64 4.35 0.01 2.44 2.96 0.10 -0.07 118.68 127.82 3kvn s LEU 597 Ca 0.10 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 3kvn s LEU 597 Cb -0.11 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 3kvn s LEU 597 CO 0.01 0.16 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.97 3kvn s ARG 598 N -0.12 0.80 0.07 1.98 0.52 0.42 -0.25 118.95 122.37 3kvn s ARG 598 Ca 0.22 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 55.00 3kvn s ARG 598 Cb -0.15 -0.77 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 3kvn s ARG 598 CO 0.09 0.20 -0.13 0.20 0.02 0.00 0.00 175.30 175.69 3kvn s GLY 599 N -0.55 0.82 -0.00 -3.53 0.00 -0.77 -0.11 107.32 103.17 3kvn s GLY 599 Ca 0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 3kvn s GLY 599 CO 0.00 -1.04 0.04 -0.32 0.00 0.00 0.00 173.10 171.79 3kvn s GLY 600 N -1.83 0.08 -0.05 0.20 0.00 -0.49 -1.51 107.32 103.72 3kvn s GLY 600 Ca -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.55 3kvn s GLY 600 CO 0.02 -0.23 -0.10 -0.47 0.00 0.00 0.00 173.10 172.31 3kvn s TYR 601 N -0.80 1.24 0.02 1.90 5.04 0.11 -1.24 117.35 123.61 3kvn s TYR 601 Ca -0.09 -0.42 0.07 0.00 -2.44 0.00 0.00 57.07 54.20 3kvn s TYR 601 Cb -0.05 -0.93 -0.02 0.00 0.35 0.00 0.00 41.96 41.31 3kvn s TYR 601 CO -0.00 -0.23 -0.22 -0.80 -1.34 0.00 0.00 175.55 172.96 3kvn s ASN 602 N 0.62 2.62 -0.11 4.32 0.01 0.40 -0.90 114.94 121.90 3kvn s ASN 602 Ca -0.12 -0.47 -0.01 0.00 -0.71 0.00 0.00 52.86 51.54 3kvn s ASN 602 Cb -0.14 -0.25 0.03 0.00 0.41 0.00 0.00 41.25 41.30 3kvn s ASN 602 CO 0.02 0.23 -0.01 0.86 -1.51 0.00 0.00 177.10 176.69 3kvn s TRP 603 N -0.67 1.00 -0.09 2.20 -0.00 -0.65 -2.25 118.94 118.48 3kvn s TRP 603 Ca 0.09 -0.50 0.04 0.00 -0.00 0.00 0.00 56.10 55.73 3kvn s TRP 603 Cb -0.09 -0.98 0.00 0.00 -0.00 0.00 0.00 33.47 32.40 3kvn s TRP 603 CO 0.01 -0.44 -0.23 1.03 -0.00 0.00 0.00 176.95 177.31 3kvn s ARG 604 N 1.86 2.84 -0.11 5.86 0.52 0.45 -1.83 118.95 128.54 3kvn s ARG 604 Ca 0.04 -0.83 -0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3kvn s ARG 604 Cb -0.13 -2.18 0.02 0.00 0.52 0.00 0.00 34.95 33.18 3kvn s ARG 604 CO -0.07 0.19 -0.08 0.21 0.02 0.00 0.00 175.30 175.57 3kvn s LYS 605 N 0.31 1.51 0.26 3.54 2.47 0.33 -0.53 119.74 127.63 3kvn s LYS 605 Ca -0.17 -0.26 0.03 0.00 -1.56 0.00 0.00 55.97 54.02 3kvn s LYS 605 Cb -0.17 -1.54 0.03 0.00 -1.46 0.00 0.00 37.83 34.69 3kvn s LYS 605 CO 0.08 -0.23 0.27 0.41 0.16 0.00 0.00 175.35 176.03 3kvn n GLY 606 N 4.81 2.49 0.21 5.54 0.00 -0.26 -1.14 105.19 116.83 3kvn n GLY 606 Ca -0.14 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.66 3kvn n GLY 606 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kvn h GLU 607 N 0.00 0.25 -0.03 1.61 4.81 -1.96 -3.29 114.58 115.97 3kvn h GLU 607 Ca -0.14 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3kvn h GLU 607 Cb 0.58 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 3kvn h GLU 607 CO 0.22 0.58 -0.02 -0.25 -0.73 0.00 0.00 179.01 178.80 3kvn n ASP 608 N -4.07 2.49 -3.50 1.04 8.00 -1.26 -5.01 116.55 114.24 3kvn n ASP 608 Ca -0.01 -3.13 -0.09 0.00 0.71 0.00 0.00 54.79 52.27 3kvn n ASP 608 Cb 0.44 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 3kvn n ASP 608 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3kvn s ASP 609 N -2.79 -0.38 -0.03 -2.24 -4.77 -1.24 -0.28 116.67 104.95 3kvn s ASP 609 Ca 0.34 0.03 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 3kvn s ASP 609 Cb 0.29 0.39 0.03 0.00 -1.09 0.00 0.00 42.92 42.54 3kvn s ASP 609 CO 0.03 -0.62 0.01 -0.89 0.70 0.00 0.00 175.17 174.40 3kvn s THR 610 N -3.02 0.10 0.03 2.11 2.01 -0.00 -1.11 115.64 115.75 3kvn s THR 610 Ca 0.04 0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.26 3kvn s THR 610 Cb -0.01 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 3kvn s THR 610 CO -0.08 0.12 -0.26 -1.10 -0.69 0.00 0.00 174.62 172.61 3kvn s GLN 611 N 1.02 1.85 0.05 4.92 -0.21 0.31 -1.24 119.66 126.36 3kvn s GLN 611 Ca -0.10 -1.05 0.01 0.00 0.02 0.00 0.00 55.36 54.24 3kvn s GLN 611 Cb -0.13 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 3kvn s GLN 611 CO -0.02 0.51 -0.05 -0.65 -2.12 0.00 0.00 175.29 172.96 3kvn s GLN 612 N -1.07 0.57 -0.15 2.91 -0.21 -0.42 -0.41 119.66 120.88 3kvn s GLN 612 Ca 0.11 -0.98 -0.26 0.00 0.02 0.00 0.00 55.36 54.25 3kvn s GLN 612 Cb -0.10 -0.04 0.06 0.00 1.00 0.00 0.00 33.01 33.93 3kvn s GLN 612 CO 0.01 -0.03 0.65 -1.54 -2.12 0.00 0.00 175.29 172.26 3kvn s SER 613 N -2.26 -0.64 0.08 5.90 1.04 -0.95 -0.31 113.70 116.56 3kvn s SER 613 Ca -0.02 0.99 0.08 0.00 0.48 0.00 0.00 55.95 57.48 3kvn s SER 613 Cb -0.02 0.94 -0.03 0.00 0.10 0.00 0.00 66.02 67.02 3kvn s SER 613 CO -0.04 -0.40 -0.20 0.68 0.98 0.00 0.00 173.24 174.25 3kvn s VAL 614 N -0.41 1.66 0.02 5.02 -7.23 -0.46 -0.45 120.40 118.54 3kvn s VAL 614 Ca -0.06 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3kvn s VAL 614 Cb -0.03 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 3kvn s VAL 614 CO 0.05 0.03 0.02 -0.94 -0.31 0.00 0.00 175.10 173.95 3kvn s SER 615 N -1.61 0.20 -0.01 4.85 1.04 -0.37 -1.68 113.70 116.11 3kvn s SER 615 Ca 0.06 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.06 3kvn s SER 615 Cb -0.09 0.14 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 3kvn s SER 615 CO 0.03 -0.34 -0.07 -0.76 0.98 0.00 0.00 173.24 173.08 3kvn s LEU 616 N -1.54 1.90 0.06 2.42 1.43 -0.22 -1.39 118.68 121.33 3kvn s LEU 616 Ca -0.14 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 3kvn s LEU 616 Cb -0.08 -0.40 -0.00 0.00 0.03 0.00 0.00 46.19 45.73 3kvn s LEU 616 CO -0.01 0.07 0.16 0.00 0.23 0.00 0.00 176.35 176.80 3kvn s ALA 617 N 0.01 -0.21 -0.12 4.21 0.00 0.85 -1.26 121.76 125.25 3kvn s ALA 617 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3kvn s ALA 617 Cb -0.05 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 3kvn s ALA 617 CO -0.00 -0.40 -0.14 -0.51 0.00 0.00 0.00 175.76 174.71 3kvn s LEU 618 N -2.40 2.69 -0.09 0.00 1.43 0.95 -0.44 118.68 120.82 3kvn s LEU 618 Ca -0.01 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3kvn s LEU 618 Cb 0.01 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 3kvn s LEU 618 CO -0.07 0.19 -0.02 -0.55 0.23 0.00 0.00 176.35 176.13 3kvn s SER 619 N 0.17 5.03 -0.02 2.29 0.15 0.90 -1.70 113.70 120.51 3kvn s SER 619 Ca -0.08 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.64 3kvn s SER 619 Cb -0.15 -1.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.77 3kvn s SER 619 CO 0.05 0.36 0.04 -0.22 1.20 0.00 0.00 173.24 174.67 3kvn s LEU 620 N -0.77 1.61 -0.14 3.45 2.96 0.13 -1.04 118.68 124.89 3kvn s LEU 620 Ca 0.12 0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 3kvn s LEU 620 Cb -0.11 0.10 -0.05 0.00 0.50 0.00 0.00 46.19 46.63 3kvn s LEU 620 CO 0.02 -0.05 0.36 -1.81 -1.32 0.00 0.00 176.35 173.56 3kvn s ASP 621 N 0.33 6.54 0.00 3.68 1.11 -0.45 -0.73 116.67 127.15 3kvn s ASP 621 Ca -0.03 0.64 0.22 0.00 0.18 0.00 0.00 52.55 53.56 3kvn s ASP 621 Cb -0.04 -2.22 0.17 0.00 1.07 0.00 0.00 42.92 41.90 3kvn s ASP 621 CO -0.01 0.08 1.19 0.49 1.18 0.00 0.00 175.17 178.10