#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvn s HIS -4 N 0.00 3.47 0.02 4.41 5.04 -1.26 -5.05 115.29 121.92 3kvn s HIS -4 Ca 0.00 0.67 -0.30 0.00 -1.54 0.00 0.00 55.06 53.89 3kvn s HIS -4 Cb 0.00 -2.40 -0.06 0.00 0.04 0.00 0.00 32.58 30.16 3kvn s HIS -4 CO 0.00 0.21 1.47 -1.58 -2.34 0.00 0.00 174.74 172.50 3kvn s HIS -3 N 0.54 2.74 -0.50 3.88 5.65 -1.26 -4.91 115.29 121.42 3kvn s HIS -3 Ca 0.19 0.69 0.25 0.00 0.25 0.00 0.00 55.06 56.44 3kvn s HIS -3 Cb -0.14 -3.74 0.94 0.00 -1.18 0.00 0.00 32.58 28.46 3kvn s HIS -3 CO 0.06 -2.83 1.75 0.45 -0.65 0.00 0.00 174.74 173.52 3kvn h HIS -2 N 7.95 0.00 0.00 3.88 -0.00 -1.97 -1.86 115.15 123.15 3kvn h HIS -2 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3kvn h HIS -2 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3kvn h HIS -2 CO 0.76 0.00 0.00 -0.07 -0.00 0.00 0.00 177.93 178.62 3kvn h LEU -1 N 0.00 0.00-10.00 2.43 4.07 -1.95 -3.41 115.31 106.45 3kvn h LEU -1 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 3kvn h LEU -1 Cb 0.51 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 3kvn h LEU -1 CO 0.00 0.00 -0.36 -1.61 -1.08 0.00 0.00 178.44 175.39 3kvn s GLU 0 N -3.33 3.53 0.94 1.13 2.02 -0.70 -5.10 118.70 117.19 3kvn s GLU 0 Ca 0.06 -0.29 -0.12 0.00 0.02 0.00 0.00 54.97 54.63 3kvn s GLU 0 Cb 0.07 -2.88 0.15 0.00 0.10 0.00 0.00 34.13 31.58 3kvn s GLU 0 CO 0.62 0.46 1.10 0.00 0.02 0.00 0.00 175.26 177.45 3kvn s ALA 1 N -1.75 1.35 0.94 5.21 0.00 -1.26 -4.75 121.76 121.50 3kvn s ALA 1 Ca 0.38 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.97 3kvn s ALA 1 Cb -0.12 -3.13 0.16 0.00 0.00 0.00 0.00 23.12 20.03 3kvn s ALA 1 CO 0.28 -2.53 1.11 -2.14 0.00 0.00 0.00 175.76 172.48 3kvn s PRO 2 N -5.01 0.81 -0.51 0.00 0.02 -1.26 -4.96 135.00 124.09 3kvn s PRO 2 Ca 0.64 1.27 0.07 0.00 0.02 0.00 0.00 61.00 62.99 3kvn s PRO 2 Cb -0.18 -1.72 0.20 0.00 0.02 0.00 0.00 34.50 32.82 3kvn s PRO 2 CO 0.57 -2.68 0.77 -1.13 -0.33 0.00 0.00 177.00 174.19 3kvn n SER 3 N -4.24 -3.33 0.25 2.53 3.41 0.11 -4.71 113.62 107.65 3kvn n SER 3 Ca 0.09 -2.97 0.11 0.00 -0.26 0.00 0.00 58.87 55.84 3kvn n SER 3 Cb 0.53 1.76 0.65 0.00 -0.26 0.00 0.00 64.21 66.89 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 4.78 0.00 -6.03 4.33 0.11 -1.59 -3.45 132.00 130.16 3kvn h PRO 4 Ca 0.02 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.45 3kvn h PRO 4 Cb 1.09 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.02 3kvn h PRO 4 CO 0.07 0.16 -0.68 0.71 -0.21 0.00 0.00 178.00 178.06 3kvn s TYR 5 N -4.10 3.00 0.27 0.65 2.02 -1.26 -4.96 117.35 112.96 3kvn s TYR 5 Ca -0.02 0.04 -0.02 0.00 -0.37 0.00 0.00 57.07 56.70 3kvn s TYR 5 Cb 0.13 -1.75 0.35 0.00 -0.40 0.00 0.00 41.96 40.29 3kvn s TYR 5 CO 0.61 0.33 1.77 0.66 -1.57 0.00 0.00 175.55 177.35 3kvn h SER 6 N 5.35 0.75 -5.30 2.29 4.64 -1.37 -3.47 113.55 116.45 3kvn h SER 6 Ca -0.48 -0.17 0.14 0.00 -0.47 0.00 0.00 61.79 60.81 3kvn h SER 6 Cb 1.18 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 63.02 3kvn h SER 6 CO 0.54 0.81 0.48 0.28 -0.87 0.00 0.00 176.83 178.06 3kvn s THR 7 N -5.02 0.00 -0.22 2.95 -1.32 -1.26 -4.81 115.64 105.96 3kvn s THR 7 Ca -0.09 -0.70 -0.01 0.00 -1.21 0.00 0.00 61.69 59.68 3kvn s THR 7 Cb 0.15 -2.47 0.02 0.00 -1.51 0.00 0.00 72.50 68.69 3kvn s THR 7 CO 0.81 0.00 -0.11 -0.22 -2.21 0.00 0.00 174.62 172.88 3kvn s LEU 8 N -3.14 2.80 -0.16 9.08 2.96 -1.26 -0.90 118.68 128.06 3kvn s LEU 8 Ca 0.16 -0.78 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 3kvn s LEU 8 Cb -0.03 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3kvn s LEU 8 CO 0.05 -0.07 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.28 3kvn s VAL 9 N 1.31 3.84 -0.03 1.68 1.01 0.02 -4.64 120.40 123.59 3kvn s VAL 9 Ca 0.02 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3kvn s VAL 9 Cb -0.15 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3kvn s VAL 9 CO -0.07 0.49 -0.23 -0.69 0.00 0.00 0.00 175.10 174.59 3kvn s VAL 10 N 0.46 1.83 0.11 2.92 1.01 -0.66 -1.38 120.40 124.68 3kvn s VAL 10 Ca -0.04 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.01 3kvn s VAL 10 Cb -0.14 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3kvn s VAL 10 CO 0.03 0.52 -0.11 -0.36 0.00 0.00 0.00 175.10 175.17 3kvn s PHE 11 N -0.39 1.17 -2.58 5.22 0.08 0.29 -0.47 117.98 121.29 3kvn s PHE 11 Ca 0.05 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.47 3kvn s PHE 11 Cb -0.10 -0.63 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 3kvn s PHE 11 CO 0.00 0.05 0.00 0.41 -0.10 0.00 0.00 175.22 175.58 3kvn n GLY 12 N 0.54 0.60 0.00 4.36 0.00 -1.26 -2.10 105.19 107.33 3kvn n GLY 12 Ca -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 0.32 1.61 5.68 -1.26 -0.76 116.55 123.26 3kvn n ASP 13 Ca 0.00 0.00 0.19 0.00 -0.50 0.00 0.00 54.79 54.48 3kvn n ASP 13 Cb 0.00 0.00 1.08 0.00 -1.14 0.00 0.00 41.12 41.06 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 0.03 -1.12 4.64 -1.87 0.77 113.55 116.00 3kvn h SER 14 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3kvn h SER 14 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kvn h SER 14 CO 0.00 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 175.87 3kvn h LEU 15 N 0.00 0.00 0.00 5.97 3.38 -1.93 -3.32 115.31 119.41 3kvn h LEU 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kvn h LEU 15 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kvn h LEU 15 CO -0.00 0.02 -0.91 -1.20 0.09 0.00 0.00 178.44 176.45 3kvn n SER 16 N -4.34 4.23 -4.55 -0.43 7.64 0.13 -4.54 113.62 111.76 3kvn n SER 16 Ca -0.03 -0.06 -0.53 0.00 1.01 0.00 0.00 58.87 59.25 3kvn n SER 16 Cb 0.11 1.03 -0.06 0.00 -1.01 0.00 0.00 64.21 64.28 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 -1.46 0.94 -0.13 6.43 -0.08 -0.42 -4.78 116.55 117.04 3kvn n ASP 17 Ca -0.00 1.14 0.09 0.00 -1.51 0.00 0.00 54.79 54.50 3kvn n ASP 17 Cb 0.02 -1.10 -0.07 0.00 2.34 0.00 0.00 41.12 42.31 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 1.90 3.99 0.00 -1.67 0.00 -1.26 -4.66 120.51 118.81 3kvn n ALA 18 Ca 0.18 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3kvn n ALA 18 Cb 0.17 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 1.37 -0.24 0.14 0.00 0.00 -1.24 -4.60 105.19 100.63 3kvn n GLY 19 Ca 0.05 -0.17 -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 -0.23 -6.99 1.61 1.08 -1.85 -3.42 115.11 105.30 3kvn h GLN 20 Ca 0.00 0.02 -0.46 0.00 -1.45 0.00 0.00 58.65 56.76 3kvn h GLN 20 Cb 0.00 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3kvn h GLN 20 CO 0.00 0.16 0.28 -0.06 -0.95 0.00 0.00 178.83 178.26 3kvn s PHE 21 N -4.07 3.35 0.76 2.96 0.08 -1.26 -4.06 117.98 115.75 3kvn s PHE 21 Ca -0.14 1.47 -0.15 0.00 0.12 0.00 0.00 56.93 58.23 3kvn s PHE 21 Cb 0.01 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.74 3kvn s PHE 21 CO 0.54 -0.10 0.95 -2.30 -0.10 0.00 0.00 175.22 174.21 3kvn n PRO 22 N -0.75 0.33 -3.46 0.24 -0.02 -1.26 0.01 135.00 130.10 3kvn n PRO 22 Ca 0.06 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 3kvn n PRO 22 Cb 0.54 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.79 6.18 0.33 2.55 3.68 -1.16 -4.08 116.67 122.39 3kvn s ASP 23 Ca 0.71 -2.58 0.06 0.00 2.13 0.00 0.00 52.55 52.88 3kvn s ASP 23 Cb -0.32 -2.09 0.71 0.00 -1.45 0.00 0.00 42.92 39.77 3kvn s ASP 23 CO 0.53 -0.55 1.86 -0.65 0.13 0.00 0.00 175.17 176.48 3kvn h PRO 24 N 7.74 0.79 -0.62 4.34 0.11 -1.93 -0.73 132.00 141.71 3kvn h PRO 24 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3kvn h PRO 24 Cb 1.02 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kvn h PRO 24 CO 0.78 0.52 0.00 0.00 -0.21 0.00 0.00 178.00 179.09 3kvn n ALA 25 N -2.40 2.97 -2.47 -0.75 0.00 -1.26 -4.95 120.51 111.64 3kvn n ALA 25 Ca 0.18 -1.15 -0.26 0.00 0.00 0.00 0.00 53.44 52.21 3kvn n ALA 25 Cb 0.42 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.77 2.46 1.05 0.00 0.00 -0.28 -0.59 107.32 109.19 3kvn s GLY 26 Ca 0.37 -1.55 -0.16 0.00 0.00 0.00 0.00 44.72 43.38 3kvn s GLY 26 CO 0.18 -1.97 0.21 -1.05 0.00 0.00 0.00 173.10 170.47 3kvn n PRO 27 N -1.41 -1.07 -2.01 2.90 -0.02 -1.26 -4.79 135.00 127.35 3kvn n PRO 27 Ca -0.04 -0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 60.74 3kvn n PRO 27 Cb 0.65 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 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 -2.31 3.57 0.00 3.55 0.00 -1.26 -1.65 121.76 123.66 3kvn s ALA 28 Ca 0.57 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.88 3kvn s ALA 28 Cb -0.16 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3kvn s ALA 28 CO 0.67 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3kvn n GLY 29 N 1.31 1.70 3.69 0.00 0.00 -1.26 -5.03 105.19 105.61 3kvn n GLY 29 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.33 3.37 0.03 1.61 0.01 -0.66 -4.91 113.70 109.82 3kvn s SER 30 Ca 0.00 2.21 -0.01 0.00 1.31 0.00 0.00 55.95 59.46 3kvn s SER 30 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 3kvn s SER 30 CO 0.00 -2.81 -0.03 0.28 0.41 0.00 0.00 173.24 171.09 3kvn s THR 31 N -2.50 0.16 -0.15 1.44 -1.32 -1.26 -2.96 115.64 109.05 3kvn s THR 31 Ca 0.68 -1.34 -0.14 0.00 -1.21 0.00 0.00 61.69 59.68 3kvn s THR 31 Cb -0.24 -0.86 -0.05 0.00 -1.51 0.00 0.00 72.50 69.84 3kvn s THR 31 CO 0.55 -0.74 0.31 -0.44 -2.21 0.00 0.00 174.62 172.09 3kvn s SER 32 N -2.16 6.47 0.08 8.08 0.01 0.10 -4.51 113.70 121.78 3kvn s SER 32 Ca -0.05 0.55 0.08 0.00 1.31 0.00 0.00 55.95 57.83 3kvn s SER 32 Cb -0.01 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 3kvn s SER 32 CO -0.05 0.09 -0.20 -0.13 0.41 0.00 0.00 173.24 173.36 3kvn s ARG 33 N 0.45 1.14 -1.17 12.44 0.52 -1.26 -3.59 118.95 127.47 3kvn s ARG 33 Ca 0.18 -1.08 -0.11 0.00 -0.52 0.00 0.00 55.73 54.20 3kvn s ARG 33 Cb -0.13 -1.34 0.22 0.00 0.52 0.00 0.00 34.95 34.22 3kvn s ARG 33 CO 0.05 0.32 1.36 1.19 0.02 0.00 0.00 175.30 178.23 3kvn n PHE 34 N 1.29 4.75 -3.90 -0.53 3.01 -1.26 -4.86 117.46 115.96 3kvn n PHE 34 Ca -0.19 -3.47 -0.03 0.00 1.01 0.00 0.00 57.45 54.77 3kvn n PHE 34 Cb 0.54 -1.93 0.02 0.00 -0.01 0.00 0.00 39.48 38.10 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 0.09 0.00 0.76 4.37 -1.32 -1.26 -4.52 115.64 113.77 3kvn s THR 35 Ca 0.37 -0.55 -0.12 0.00 -1.21 0.00 0.00 61.69 60.18 3kvn s THR 35 Cb -0.04 -2.94 0.05 0.00 -1.51 0.00 0.00 72.50 68.06 3kvn s THR 35 CO -0.02 0.00 1.11 0.54 -2.21 0.00 0.00 174.62 174.04 3kvn s ASN 36 N -3.47 4.40 0.77 8.08 4.22 -1.26 -4.64 114.94 123.04 3kvn s ASN 36 Ca 0.23 1.95 -0.12 0.00 -2.14 0.00 0.00 52.86 52.79 3kvn s ASN 36 Cb -0.03 -2.54 0.05 0.00 1.28 0.00 0.00 41.25 40.02 3kvn s ASN 36 CO 0.05 -2.11 1.11 -0.13 -2.04 0.00 0.00 177.10 173.98 3kvn s ARG 37 N -4.61 2.31 0.46 3.55 0.52 -1.26 -0.92 118.95 119.01 3kvn s ARG 37 Ca 0.64 0.50 0.26 0.00 -0.52 0.00 0.00 55.73 56.61 3kvn s ARG 37 Cb -0.20 -1.96 0.97 0.00 0.52 0.00 0.00 34.95 34.28 3kvn s ARG 37 CO 0.52 -1.43 1.84 -0.39 0.02 0.00 0.00 175.30 175.86 3kvn h VAL 38 N -0.95 0.41 0.00 3.52 -1.51 -1.47 -3.43 116.25 112.83 3kvn h VAL 38 Ca -0.46 -1.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.00 3kvn h VAL 38 Cb 1.27 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 3kvn h VAL 38 CO 0.62 0.17 0.00 0.61 -1.23 0.00 0.00 177.57 177.73 3kvn n GLY 39 N 0.21 -3.90 0.22 5.19 0.00 -1.26 -4.95 105.19 100.70 3kvn n GLY 39 Ca 0.00 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 0.34 0.00 0.00 1.61 0.13 -1.99 -3.43 132.00 128.66 3kvn h PRO 40 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 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 -1.42 1.79 -0.23 0.00 0.00 178.00 178.37 3kvn h THR 41 N 0.00 0.94 0.00 1.56 1.35 -1.97 -3.48 112.91 111.31 3kvn h THR 41 Ca -0.00 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 3kvn h THR 41 Cb 0.79 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 3kvn h THR 41 CO 0.03 0.54 0.00 -1.22 -0.25 0.00 0.00 175.52 174.62 3kvn n TYR 42 N -3.08 0.00 -2.43 4.73 4.01 -1.26 -4.97 117.16 114.16 3kvn n TYR 42 Ca -0.11 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.26 3kvn n TYR 42 Cb 0.96 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 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 -0.49 4.13 0.41 -0.72 -1.52 -1.26 -4.60 119.66 115.60 3kvn s GLN 43 Ca 0.00 1.67 -0.27 0.00 -1.95 0.00 0.00 55.36 54.81 3kvn s GLN 43 Cb 0.00 -2.63 -0.10 0.00 -0.22 0.00 0.00 33.01 30.07 3kvn s GLN 43 CO 0.00 -0.21 1.43 -0.80 -0.25 0.00 0.00 175.29 175.46 3kvn s ASN 44 N -1.35 6.18 0.00 5.90 0.01 -1.26 -2.58 114.94 121.84 3kvn s ASN 44 Ca 0.57 2.93 0.00 0.00 -0.71 0.00 0.00 52.86 55.65 3kvn s ASN 44 Cb -0.26 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 38.74 3kvn s ASN 44 CO 0.33 -0.97 0.00 0.61 -1.51 0.00 0.00 177.10 175.56 3kvn n GLY 45 N 0.56 0.52 0.00 0.66 0.00 0.24 -4.88 105.19 102.28 3kvn n GLY 45 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.15 0.00 0.00 1.61 3.41 -1.06 -4.90 113.62 112.53 3kvn n SER 46 Ca 0.00 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 3kvn n SER 46 Cb 0.07 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.32 0.84 3.77 5.00 0.00 -1.26 -5.06 105.19 109.81 3kvn n GLY 47 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.28 4.17 0.73 1.61 2.02 -1.26 -4.41 118.70 121.28 3kvn s GLU 48 Ca 0.00 0.43 -0.11 0.00 0.02 0.00 0.00 54.97 55.30 3kvn s GLU 48 Cb 0.00 -3.34 0.03 0.00 0.10 0.00 0.00 34.13 30.92 3kvn s GLU 48 CO 0.00 0.40 1.10 0.96 0.02 0.00 0.00 175.26 177.74 3kvn s ILE 49 N -0.15 3.31 0.51 -1.63 -4.36 -1.26 -4.74 121.20 112.88 3kvn s ILE 49 Ca 0.25 0.43 -0.21 0.00 -0.26 0.00 0.00 60.65 60.85 3kvn s ILE 49 Cb -0.16 -3.36 -0.06 0.00 1.25 0.00 0.00 42.46 40.13 3kvn s ILE 49 CO 0.12 -0.56 1.19 -0.36 0.24 0.00 0.00 174.94 175.57 3kvn s PHE 50 N -3.32 2.66 0.49 1.37 0.08 -1.26 -1.29 117.98 116.71 3kvn s PHE 50 Ca 0.59 1.51 -0.08 0.00 0.12 0.00 0.00 56.93 59.07 3kvn s PHE 50 Cb -0.12 -3.44 0.12 0.00 -0.57 0.00 0.00 43.02 39.01 3kvn s PHE 50 CO 0.52 -1.84 0.54 0.41 -0.10 0.00 0.00 175.22 174.75 3kvn n GLY 51 N 0.44 -1.90 3.88 4.36 0.00 -0.09 -4.69 105.19 107.19 3kvn n GLY 51 Ca 0.10 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 -4.21 3.65 0.27 1.61 0.05 -1.26 -4.83 135.00 130.28 3kvn s PRO 52 Ca 0.33 0.55 0.07 0.00 0.05 0.00 0.00 61.00 61.99 3kvn s PRO 52 Cb -0.02 -2.23 -0.03 0.00 0.05 0.00 0.00 34.50 32.27 3kvn s PRO 52 CO 0.24 -0.33 0.23 -0.08 0.05 0.00 0.00 177.00 177.10 3kvn s THR 53 N -2.85 4.23 0.25 1.26 -1.32 -1.26 -4.88 115.64 111.07 3kvn s THR 53 Ca 0.52 -1.39 -0.07 0.00 -1.21 0.00 0.00 61.69 59.55 3kvn s THR 53 Cb -0.11 -3.36 0.31 0.00 -1.51 0.00 0.00 72.50 67.84 3kvn s THR 53 CO 0.45 -0.30 1.62 0.00 -2.21 0.00 0.00 174.62 174.17 3kvn h ALA 54 N 1.42 0.79 -0.43 11.08 0.00 -1.80 -0.67 119.26 129.64 3kvn h ALA 54 Ca -0.48 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3kvn h ALA 54 Cb 1.24 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3kvn h ALA 54 CO 0.60 -0.44 0.23 -1.35 0.00 0.00 0.00 179.25 178.29 3kvn h PRO 55 N 0.07 0.59 -0.43 0.00 0.11 -1.89 0.12 132.00 130.58 3kvn h PRO 55 Ca 0.43 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.40 3kvn h PRO 55 Cb 0.76 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3kvn h PRO 55 CO -0.73 0.45 -0.06 0.52 -0.21 0.00 0.00 178.00 177.96 3kvn h MET 56 N 0.60 0.80 -0.45 1.05 2.86 -1.46 0.48 114.93 118.82 3kvn h MET 56 Ca 0.15 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 3kvn h MET 56 Cb 0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3kvn h MET 56 CO -0.02 0.90 0.02 -0.07 1.06 0.00 0.00 176.91 178.79 3kvn h LEU 57 N 0.63 0.76 -0.17 1.22 3.38 -0.98 -2.25 115.31 117.90 3kvn h LEU 57 Ca 0.11 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3kvn h LEU 57 Cb 0.58 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3kvn h LEU 57 CO 0.03 0.87 0.06 0.25 0.09 0.00 0.00 178.44 179.74 3kvn h LEU 58 N 0.62 0.24 -0.74 1.67 5.85 -0.68 -2.05 115.31 120.23 3kvn h LEU 58 Ca 0.13 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3kvn h LEU 58 Cb 0.47 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3kvn h LEU 58 CO 0.02 0.36 0.48 1.23 -0.34 0.00 0.00 178.44 180.19 3kvn h GLY 59 N 0.10 1.05 0.64 3.75 0.00 -0.88 -0.64 103.07 107.09 3kvn h GLY 59 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.06 3kvn h GLY 59 CO -0.00 0.35 0.12 -0.57 0.00 0.00 0.00 176.54 176.44 3kvn h ASN 60 N 0.97 0.12 -0.79 0.19 -1.24 -1.29 -0.07 115.58 113.47 3kvn h ASN 60 Ca 0.28 0.05 0.04 0.00 0.71 0.00 0.00 56.30 57.38 3kvn h ASN 60 Cb -0.07 0.04 -0.05 0.00 0.73 0.00 0.00 38.32 38.97 3kvn h ASN 60 CO -0.08 0.10 0.52 1.56 -1.29 0.00 0.00 177.43 178.24 3kvn h GLN 61 N 0.27 0.90 -0.13 6.67 4.20 -0.54 -2.29 115.11 124.19 3kvn h GLN 61 Ca 0.17 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3kvn h GLN 61 Cb 0.16 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3kvn h GLN 61 CO -0.19 0.60 0.00 1.28 -0.67 0.00 0.00 178.83 179.85 3kvn n LEU 62 N -4.46 0.93 -0.47 1.46 4.77 -0.35 -4.89 117.00 113.99 3kvn n LEU 62 Ca 0.11 -0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 55.60 3kvn n LEU 62 Cb 0.15 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3kvn n LEU 62 CO 0.34 0.21 -0.06 0.61 -1.33 0.00 0.00 177.39 177.17 3kvn n GLY 63 N 0.90 0.83 3.77 -0.72 0.00 -0.86 -4.58 105.19 104.51 3kvn n GLY 63 Ca 0.11 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.11 2.37 0.08 -0.61 -1.09 -0.10 -4.93 121.20 114.81 3kvn s ILE 64 Ca 0.00 0.35 -0.34 0.00 -2.23 0.00 0.00 60.65 58.43 3kvn s ILE 64 Cb 0.00 -3.22 -0.14 0.00 -1.58 0.00 0.00 42.46 37.52 3kvn s ILE 64 CO 0.00 0.07 1.63 0.00 -1.23 0.00 0.00 174.94 175.42 3kvn n ALA 65 N 1.18 0.98 -0.31 9.38 0.00 -1.26 -4.65 120.51 125.83 3kvn n ALA 65 Ca 0.03 0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.98 3kvn n ALA 65 Cb 0.40 -2.36 0.32 0.00 0.00 0.00 0.00 19.45 17.82 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 6.63 0.78 0.00 0.00 0.11 -1.96 0.78 132.00 138.34 3kvn h PRO 66 Ca -0.46 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kvn h PRO 66 Cb 1.27 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kvn h PRO 66 CO 0.89 0.52 -0.01 0.78 -0.21 0.00 0.00 178.00 179.97 3kvn h GLY 67 N 0.81 0.00 2.00 -0.55 0.00 -1.98 -0.45 103.07 102.89 3kvn h GLY 67 Ca 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 3kvn h GLY 67 CO -0.24 0.00 -0.17 -0.55 0.00 0.00 0.00 176.54 175.59 3kvn h ASP 68 N 0.00 0.00 0.44 0.19 5.19 -1.18 -3.18 116.42 117.87 3kvn h ASP 68 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kvn h ASP 68 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3kvn h ASP 68 CO 0.00 0.17 -0.08 0.18 -3.12 0.00 0.00 179.24 176.39 3kvn n LEU 69 N -3.25 0.30 -4.86 1.55 4.77 -0.18 0.21 117.00 115.54 3kvn n LEU 69 Ca 0.01 0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.79 3kvn n LEU 69 Cb 0.45 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3kvn n LEU 69 CO 0.33 0.06 0.73 0.00 -1.33 0.00 0.00 177.39 177.18 3kvn s ALA 70 N -2.52 2.81 0.91 -1.18 0.00 -1.20 -4.70 121.76 115.89 3kvn s ALA 70 Ca 0.28 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 3kvn s ALA 70 Cb 0.20 -3.07 0.13 0.00 0.00 0.00 0.00 23.12 20.38 3kvn s ALA 70 CO 0.47 -1.14 1.07 0.00 0.00 0.00 0.00 175.76 176.16 3kvn n ALA 71 N -3.03 -0.92 0.08 0.00 0.00 -1.26 -1.98 120.51 113.40 3kvn n ALA 71 Ca 0.07 -0.54 0.06 0.00 0.00 0.00 0.00 53.44 53.03 3kvn n ALA 71 Cb 0.56 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 3kvn n ALA 71 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kvn h SER 72 N -1.74 0.00 0.00 0.00 4.64 -0.89 0.37 113.55 115.93 3kvn h SER 72 Ca -0.43 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 3kvn h SER 72 Cb 1.28 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.10 3kvn h SER 72 CO 0.41 0.28 -0.82 0.41 -0.87 0.00 0.00 176.83 176.24 3kvn n THR 73 N -2.83 0.00 -2.25 2.95 -1.04 -1.26 -4.67 114.28 105.18 3kvn n THR 73 Ca -0.04 -0.66 -0.41 0.00 -2.04 0.00 0.00 64.05 60.90 3kvn n THR 73 Cb 0.68 0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 69.98 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 -1.63 6.93 0.30 8.00 0.15 -1.26 -4.77 113.70 121.42 3kvn s SER 74 Ca 0.22 2.36 0.07 0.00 0.70 0.00 0.00 55.95 59.31 3kvn s SER 74 Cb 0.26 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.43 3kvn s SER 74 CO -0.11 -0.50 1.70 -0.65 1.20 0.00 0.00 173.24 174.88 3kvn h PRO 75 N 5.45 0.19 -0.23 5.44 0.11 -1.90 -3.02 132.00 138.04 3kvn h PRO 75 Ca -0.44 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3kvn h PRO 75 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3kvn h PRO 75 CO 0.77 0.59 0.11 0.28 -0.21 0.00 0.00 178.00 179.55 3kvn h VAL 76 N 0.16 1.14 -0.66 3.15 2.07 -1.91 -0.62 116.25 119.59 3kvn h VAL 76 Ca 0.01 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.13 3kvn h VAL 76 Cb 0.83 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3kvn h VAL 76 CO 0.06 0.14 0.43 0.78 0.02 0.00 0.00 177.57 179.00 3kvn h ASN 77 N 0.25 0.72 -0.06 0.57 2.35 -1.84 0.06 115.58 117.64 3kvn h ASN 77 Ca 0.08 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3kvn h ASN 77 Cb 0.13 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3kvn h ASN 77 CO -0.01 0.52 -0.00 0.00 -1.65 0.00 0.00 177.43 176.28 3kvn h ALA 78 N 1.25 0.04 -0.29 -0.83 0.00 -1.39 0.19 119.26 118.25 3kvn h ALA 78 Ca 0.25 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kvn h ALA 78 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kvn h ALA 78 CO -0.07 -0.48 0.04 1.96 0.00 0.00 0.00 179.25 180.70 3kvn h GLN 79 N 0.01 0.42 0.00 0.00 4.20 -0.75 -2.57 115.11 116.43 3kvn h GLN 79 Ca 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kvn h GLN 79 Cb 0.03 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3kvn h GLN 79 CO -0.05 0.42 -0.24 1.04 -0.67 0.00 0.00 178.83 179.34 3kvn n GLN 80 N -4.35 0.26 -1.35 1.46 1.13 -0.02 -4.94 117.38 109.58 3kvn n GLN 80 Ca 0.01 0.16 -0.06 0.00 -1.94 0.00 0.00 57.00 55.17 3kvn n GLN 80 Cb 0.19 -1.75 -0.02 0.00 0.11 0.00 0.00 30.24 28.77 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 1.33 0.71 3.75 1.08 0.00 0.21 -5.04 105.19 107.23 3kvn n GLY 81 Ca 0.05 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.24 4.93 0.46 -0.61 1.01 0.43 -5.01 121.20 120.16 3kvn s ILE 82 Ca 0.00 1.30 -0.24 0.00 0.00 0.00 0.00 60.65 61.72 3kvn s ILE 82 Cb 0.00 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 3kvn s ILE 82 CO 0.00 0.38 1.22 0.00 0.00 0.00 0.00 174.94 176.53 3kvn s ALA 83 N 0.04 3.02 0.45 9.38 0.00 -1.26 -4.20 121.76 129.19 3kvn s ALA 83 Ca 0.33 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 3kvn s ALA 83 Cb -0.18 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 3kvn s ALA 83 CO 0.17 -0.77 1.31 -0.51 0.00 0.00 0.00 175.76 175.96 3kvn s ASP 84 N -1.17 6.03 0.00 0.00 1.01 -1.26 -4.96 116.67 116.33 3kvn s ASP 84 Ca 0.63 2.67 0.00 0.00 0.71 0.00 0.00 52.55 56.55 3kvn s ASP 84 Cb -0.32 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.97 3kvn s ASP 84 CO 0.39 -1.04 0.00 0.61 0.21 0.00 0.00 175.17 175.34 3kvn n GLY 85 N 0.63 2.60 1.20 0.21 0.00 0.13 -4.90 105.19 105.07 3kvn n GLY 85 Ca 0.06 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.00 4.13 -4.36 1.61 3.02 0.13 -3.94 115.26 114.86 3kvn n ASN 86 Ca 0.00 -2.47 -0.45 0.00 -0.03 0.00 0.00 54.58 51.63 3kvn n ASN 86 Cb 0.00 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 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 -1.17 6.15 0.00 6.41 3.84 -0.84 -1.65 114.94 127.68 3kvn s ASN 87 Ca 0.42 -1.49 0.21 0.00 0.21 0.00 0.00 52.86 52.22 3kvn s ASN 87 Cb 0.28 -2.19 0.56 0.00 -0.55 0.00 0.00 41.25 39.35 3kvn s ASN 87 CO 0.19 -0.72 1.46 0.79 -2.79 0.00 0.00 177.10 176.03 3kvn n TRP 88 N 5.21 0.38 -2.11 0.43 7.02 0.38 -0.46 117.44 128.28 3kvn n TRP 88 Ca -0.13 -0.19 -0.40 0.00 -1.02 0.00 0.00 57.50 55.76 3kvn n TRP 88 Cb 0.42 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.30 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 -1.62 3.45 -0.07 6.99 0.00 -1.21 -4.52 121.76 124.77 3kvn s ALA 89 Ca 0.35 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 3kvn s ALA 89 Cb 0.20 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3kvn s ALA 89 CO 0.28 -0.67 -0.05 0.08 0.00 0.00 0.00 175.76 175.41 3kvn s VAL 90 N -1.17 0.68 0.02 0.00 1.01 0.06 -4.41 120.40 116.58 3kvn s VAL 90 Ca 0.50 -0.12 -0.37 0.00 0.00 0.00 0.00 61.98 61.99 3kvn s VAL 90 Cb -0.39 -0.74 -0.16 0.00 0.00 0.00 0.00 36.38 35.09 3kvn s VAL 90 CO 0.52 0.29 1.43 0.61 0.00 0.00 0.00 175.10 177.95 3kvn n GLY 91 N 4.63 0.58 0.00 4.51 0.00 -1.26 -2.08 105.19 111.57 3kvn n GLY 91 Ca -0.15 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 2.88 3.16 3.73 -0.02 0.00 -1.26 -4.80 105.19 108.89 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 -2.83 2.87 0.70 1.61 1.51 -0.88 -4.88 117.35 115.44 3kvn s TYR 93 Ca 0.00 0.63 -0.05 0.00 -1.01 0.00 0.00 57.07 56.64 3kvn s TYR 93 Cb 0.00 -4.05 0.08 0.00 -0.11 0.00 0.00 41.96 37.87 3kvn s TYR 93 CO 0.00 -3.75 0.99 1.03 -1.11 0.00 0.00 175.55 172.71 3kvn s ARG 94 N 0.33 2.04 0.28 -0.62 0.52 -1.26 -4.48 118.95 115.76 3kvn s ARG 94 Ca 0.68 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 3kvn s ARG 94 Cb -0.47 -2.23 0.68 0.00 0.52 0.00 0.00 34.95 33.44 3kvn s ARG 94 CO 0.40 -1.27 1.71 1.79 0.02 0.00 0.00 175.30 177.94 3kvn h THR 95 N -0.55 0.53 -0.22 0.02 1.35 -1.92 -1.02 112.91 111.11 3kvn h THR 95 Ca -0.43 -0.15 -0.11 0.00 -0.55 0.00 0.00 66.41 65.17 3kvn h THR 95 Cb 1.30 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3kvn h THR 95 CO 0.53 0.08 -0.35 -2.24 -0.25 0.00 0.00 175.52 173.30 3kvn h ASP 96 N 0.45 0.49 0.22 5.36 2.03 -1.94 -1.56 116.42 121.47 3kvn h ASP 96 Ca 0.53 -0.20 -0.18 0.00 -0.73 0.00 0.00 57.03 56.46 3kvn h ASP 96 Cb 0.96 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 39.32 3kvn h ASP 96 CO -0.49 0.81 -0.70 1.56 -1.03 0.00 0.00 179.24 179.39 3kvn h GLN 97 N 0.40 0.43 -0.23 4.15 4.20 -1.69 -1.85 115.11 120.52 3kvn h GLN 97 Ca 0.04 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 3kvn h GLN 97 Cb 0.80 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3kvn h GLN 97 CO 0.07 0.97 0.13 0.82 -0.67 0.00 0.00 178.83 180.15 3kvn h ILE 98 N 0.30 1.11 -0.45 2.54 2.04 -0.95 -1.25 117.51 120.85 3kvn h ILE 98 Ca -0.02 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3kvn h ILE 98 Cb 1.27 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 3kvn h ILE 98 CO 0.12 0.10 0.13 0.22 0.00 0.00 0.00 178.15 178.72 3kvn h TYR 99 N 0.28 0.22 -0.62 1.37 3.20 -1.20 -2.43 116.97 117.79 3kvn h TYR 99 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3kvn h TYR 99 Cb 0.05 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3kvn h TYR 99 CO -0.04 0.06 0.32 -0.44 -1.64 0.00 0.00 178.16 176.41 3kvn h ASP 100 N 0.28 0.77 0.57 -2.11 3.32 -1.03 -1.44 116.42 116.79 3kvn h ASP 100 Ca 0.22 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kvn h ASP 100 Cb 0.24 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3kvn h ASP 100 CO -0.25 0.64 0.00 0.77 -1.72 0.00 0.00 179.24 178.69 3kvn h SER 101 N 0.87 0.00 0.04 6.45 4.64 -0.73 0.70 113.55 125.51 3kvn h SER 101 Ca 0.22 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.17 3kvn h SER 101 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.10 3kvn h SER 101 CO -0.03 0.00 -2.13 -0.38 -0.87 0.00 0.00 176.83 173.42 3kvn n ILE 102 N -2.32 1.59 -0.04 0.95 5.41 -0.74 -0.92 119.36 123.29 3kvn n ILE 102 Ca 0.01 -0.46 -0.03 0.00 1.00 0.00 0.00 62.75 63.28 3kvn n ILE 102 Cb 0.19 -1.73 -0.09 0.00 -0.71 0.00 0.00 39.64 37.30 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 -3.75 0.57 -3.68 1.39 -2.24 -0.62 -0.83 114.28 105.11 3kvn n THR 103 Ca -0.41 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 60.64 3kvn n THR 103 Cb 0.93 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.41 3.81 0.31 6.98 0.00 0.22 -4.62 121.76 126.05 3kvn s ALA 104 Ca -0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 3kvn s ALA 104 Cb 0.04 -2.08 -0.12 0.00 0.00 0.00 0.00 23.12 20.96 3kvn s ALA 104 CO 0.47 0.62 1.54 0.00 0.00 0.00 0.00 175.76 178.38 3kvn n ALA 105 N -0.09 2.32 -2.94 0.00 0.00 -1.26 -0.46 120.51 118.08 3kvn n ALA 105 Ca -0.03 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.61 3kvn n ALA 105 Cb 0.52 -2.43 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 3kvn n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kvn n ASN 106 N 1.62 -3.26 0.19 0.00 3.02 -1.26 -4.80 115.26 110.77 3kvn n ASN 106 Ca 0.07 -0.07 0.13 0.00 -0.03 0.00 0.00 54.58 54.67 3kvn n ASN 106 Cb 0.37 -2.76 0.27 0.00 -0.61 0.00 0.00 39.78 37.04 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 -0.47 0.00 -7.66 7.41 0.00 -1.15 -3.39 103.07 97.82 3kvn h GLY 107 Ca -0.32 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.27 3kvn h GLY 107 CO 0.39 0.00 0.46 -0.45 0.00 0.00 0.00 176.54 176.94 3kvn s SER 108 N -5.72 6.73 -0.20 0.19 0.15 0.16 -3.39 113.70 111.63 3kvn s SER 108 Ca 0.08 -2.45 -0.09 0.00 0.70 0.00 0.00 55.95 54.18 3kvn s SER 108 Cb 0.07 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 3kvn s SER 108 CO 0.64 -0.78 0.10 -0.76 1.20 0.00 0.00 173.24 173.64 3kvn s LEU 109 N 1.23 3.95 -0.41 3.45 1.43 -1.26 -1.33 118.68 125.74 3kvn s LEU 109 Ca 0.25 0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3kvn s LEU 109 Cb -0.08 -2.02 0.09 0.00 0.03 0.00 0.00 46.19 44.22 3kvn s LEU 109 CO -0.09 0.14 0.22 -0.63 0.23 0.00 0.00 176.35 176.22 3kvn s ILE 110 N 0.61 3.71 -0.02 -0.59 -1.09 0.22 -5.00 121.20 119.04 3kvn s ILE 110 Ca 0.05 -1.72 0.02 0.00 -2.23 0.00 0.00 60.65 56.77 3kvn s ILE 110 Cb -0.12 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 3kvn s ILE 110 CO 0.01 -0.58 -0.08 -1.83 -1.23 0.00 0.00 174.94 171.23 3kvn s GLU 111 N 1.28 0.80 -0.13 2.79 -1.05 -1.26 0.11 118.70 121.24 3kvn s GLU 111 Ca 0.05 -0.26 0.01 0.00 -0.15 0.00 0.00 54.97 54.62 3kvn s GLU 111 Cb -0.23 -0.77 0.02 0.00 -0.44 0.00 0.00 34.13 32.71 3kvn s GLU 111 CO -0.01 0.10 -0.14 0.50 0.95 0.00 0.00 175.26 176.66 3kvn s ARG 112 N 0.17 2.22 -1.12 -4.83 3.52 -0.62 -4.81 118.95 113.47 3kvn s ARG 112 Ca -0.02 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.93 3kvn s ARG 112 Cb -0.07 -1.99 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 3kvn s ARG 112 CO 0.00 -0.17 0.85 -0.25 -0.81 0.00 0.00 175.30 174.92 3kvn n ASP 113 N 4.56 -5.27 -1.56 -2.12 8.00 -1.26 -2.55 116.55 116.35 3kvn n ASP 113 Ca -0.17 -0.84 -0.16 0.00 0.71 0.00 0.00 54.79 54.32 3kvn n ASP 113 Cb 0.50 -4.33 -0.06 0.00 -0.02 0.00 0.00 41.12 37.21 3kvn n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kvn n ASN 114 N -2.98 -4.30 -4.13 -2.24 3.02 -1.26 -4.94 115.26 98.43 3kvn n ASN 114 Ca -0.12 0.37 -0.28 0.00 -0.03 0.00 0.00 54.58 54.52 3kvn n ASN 114 Cb 0.62 -3.88 -0.17 0.00 -0.61 0.00 0.00 39.78 35.74 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 -2.41 1.59 -0.15 3.41 -1.32 -1.06 -5.11 115.64 110.59 3kvn s THR 115 Ca 0.00 -0.76 -0.29 0.00 -1.21 0.00 0.00 61.69 59.43 3kvn s THR 115 Cb 0.00 -1.39 -0.01 0.00 -1.51 0.00 0.00 72.50 69.59 3kvn s THR 115 CO 0.00 0.45 1.17 -0.22 -2.21 0.00 0.00 174.62 173.82 3kvn s LEU 116 N 0.36 4.19 -0.14 9.08 2.96 -1.26 -1.60 118.68 132.28 3kvn s LEU 116 Ca -0.13 1.63 -0.12 0.00 -0.22 0.00 0.00 54.13 55.29 3kvn s LEU 116 Cb -0.16 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.74 3kvn s LEU 116 CO 0.05 -0.67 0.37 -0.07 -1.32 0.00 0.00 176.35 174.71 3kvn h LEU 117 N 9.15 0.31 -7.00 -0.68 3.38 0.42 -3.49 115.31 117.41 3kvn h LEU 117 Ca -0.27 -0.82 0.04 0.00 0.09 0.00 0.00 57.88 56.92 3kvn h LEU 117 Cb 1.11 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.60 3kvn h LEU 117 CO 0.94 1.72 0.36 -0.60 0.09 0.00 0.00 178.44 180.95 3kvn s ARG 118 N -2.50 0.99 -0.04 1.13 3.52 -0.88 -4.86 118.95 116.30 3kvn s ARG 118 Ca -0.23 -0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 55.01 3kvn s ARG 118 Cb 0.06 0.46 0.02 0.00 -1.56 0.00 0.00 34.95 33.93 3kvn s ARG 118 CO 0.73 -0.41 0.27 0.45 -0.81 0.00 0.00 175.30 175.53 3kvn s SER 119 N -2.26 -0.19 0.22 -2.12 0.15 -1.26 0.72 113.70 108.97 3kvn s SER 119 Ca 0.01 0.20 -0.17 0.00 0.70 0.00 0.00 55.95 56.69 3kvn s SER 119 Cb -0.01 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 3kvn s SER 119 CO -0.07 -0.32 0.54 0.00 1.20 0.00 0.00 173.24 174.59 3kvn s ARG 120 N -0.85 1.49 0.63 5.44 1.70 -0.44 -5.01 118.95 121.90 3kvn s ARG 120 Ca -0.09 -1.00 -0.17 0.00 -0.47 0.00 0.00 55.73 54.00 3kvn s ARG 120 Cb -0.05 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.84 3kvn s ARG 120 CO 0.02 -0.63 1.16 -0.51 -1.08 0.00 0.00 175.30 174.26 3kvn s ASP 121 N -2.92 5.10 0.65 -2.89 1.01 -1.26 -0.67 116.67 115.69 3kvn s ASP 121 Ca 0.13 2.20 -0.18 0.00 0.71 0.00 0.00 52.55 55.41 3kvn s ASP 121 Cb -0.02 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3kvn s ASP 121 CO 0.02 -1.64 1.25 0.61 0.21 0.00 0.00 175.17 175.61 3kvn n GLY 122 N 0.06 0.41 0.40 0.21 0.00 0.39 -4.49 105.19 102.17 3kvn n GLY 122 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 0.45 -1.45 0.00 1.61 3.20 -0.85 0.24 116.97 120.17 3kvn h TYR 123 Ca -0.50 0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 3kvn h TYR 123 Cb 1.34 0.75 -0.00 0.00 1.54 0.00 0.00 36.73 40.36 3kvn h TYR 123 CO 0.41 -0.40 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.36 3kvn h LEU 124 N -0.07 0.00 -0.02 2.82 3.38 -1.27 -0.03 115.31 120.12 3kvn h LEU 124 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3kvn h LEU 124 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kvn h LEU 124 CO -0.88 0.10 -0.02 0.58 0.09 0.00 0.00 178.44 178.30 3kvn h VAL 125 N 0.00 1.41 -0.92 1.22 2.07 -0.70 0.16 116.25 119.49 3kvn h VAL 125 Ca -0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3kvn h VAL 125 Cb 0.18 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 3kvn h VAL 125 CO 0.01 0.33 0.52 0.44 0.02 0.00 0.00 177.57 178.90 3kvn h ASP 126 N -0.46 1.13 -0.55 0.57 3.45 -0.87 -1.58 116.42 118.11 3kvn h ASP 126 Ca 0.00 -0.09 -0.08 0.00 0.43 0.00 0.00 57.03 57.29 3kvn h ASP 126 Cb 0.56 -0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 3kvn h ASP 126 CO 0.01 0.90 0.03 0.03 -1.57 0.00 0.00 179.24 178.63 3kvn h ARG 127 N 1.28 0.95 -0.06 3.56 2.47 -1.01 -2.74 114.38 118.84 3kvn h ARG 127 Ca 0.33 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 3kvn h ARG 127 Cb 0.00 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 3kvn h ARG 127 CO -0.06 0.95 -0.09 0.00 0.56 0.00 0.00 179.97 181.33 3kvn h ALA 128 N 0.97 1.74 0.00 0.04 0.00 -0.07 -0.86 119.26 121.08 3kvn h ALA 128 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kvn h ALA 128 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kvn h ALA 128 CO 0.02 0.19 0.00 2.89 0.00 0.00 0.00 179.25 182.36 3kvn n ARG 129 N -4.38 0.87 -0.27 0.00 1.85 -0.65 -0.38 116.66 113.70 3kvn n ARG 129 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 3kvn n ARG 129 Cb 0.19 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 3kvn n ARG 129 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3kvn n GLN 130 N 0.23 0.00 -3.51 2.89 6.02 -0.52 -4.99 117.38 117.50 3kvn n GLN 130 Ca 0.00 -0.64 -0.21 0.00 -0.01 0.00 0.00 57.00 56.13 3kvn n GLN 130 Cb 0.29 -0.42 0.08 0.00 1.02 0.00 0.00 30.24 31.22 3kvn n GLN 130 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvn n GLY 131 N 0.00 -0.45 3.13 1.08 0.00 0.48 -5.01 105.19 104.42 3kvn n GLY 131 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.86 2.06 0.00 0.99 1.43 -0.44 -4.98 118.68 110.88 3kvn s LEU 132 Ca 0.42 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3kvn s LEU 132 Cb -0.18 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.29 3kvn s LEU 132 CO 0.70 0.15 0.00 0.61 0.23 0.00 0.00 176.35 178.05 3kvn n GLY 133 N 2.53 0.98 3.64 -3.19 0.00 -1.26 -2.42 105.19 105.48 3kvn n GLY 133 Ca -0.15 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.40 0.83 -0.36 4.61 0.00 0.12 -4.86 121.76 118.71 3kvn s ALA 134 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.60 3kvn s ALA 134 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3kvn s ALA 134 CO 0.00 -2.93 0.81 0.34 0.00 0.00 0.00 175.76 173.98 3kvn s ASP 135 N -3.14 6.59 0.30 0.00 -1.08 -1.26 -4.78 116.67 113.30 3kvn s ASP 135 Ca 0.66 0.44 0.24 0.00 -0.52 0.00 0.00 52.55 53.37 3kvn s ASP 135 Cb -0.20 -2.41 1.09 0.00 -1.46 0.00 0.00 42.92 39.94 3kvn s ASP 135 CO 0.59 -0.73 1.73 -0.65 0.52 0.00 0.00 175.17 176.63 3kvn h PRO 136 N 8.42 0.00 -0.01 4.34 0.11 -1.94 -2.25 132.00 140.66 3kvn h PRO 136 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3kvn h PRO 136 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kvn h PRO 136 CO 0.92 0.00 -0.43 0.09 -0.21 0.00 0.00 178.00 178.37 3kvn n ASN 137 N -2.32 1.61 -4.84 -2.05 3.02 -1.26 -4.49 115.26 104.94 3kvn n ASN 137 Ca 0.01 -1.31 -0.32 0.00 -0.03 0.00 0.00 54.58 52.93 3kvn n ASN 137 Cb 0.17 0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 39.83 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 -2.12 3.14 -0.11 5.41 0.00 -0.85 -0.95 121.76 126.28 3kvn s ALA 138 Ca 0.14 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.11 3kvn s ALA 138 Cb 0.14 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3kvn s ALA 138 CO 0.48 0.10 0.63 -1.17 0.00 0.00 0.00 175.76 175.79 3kvn s LEU 139 N -3.36 4.27 0.12 0.00 2.96 -0.08 -4.31 118.68 118.28 3kvn s LEU 139 Ca 0.59 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.54 3kvn s LEU 139 Cb -0.10 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 3kvn s LEU 139 CO 0.19 -0.12 0.16 -0.31 -1.32 0.00 0.00 176.35 174.96 3kvn s TYR 140 N 0.99 3.30 -0.16 5.38 1.51 0.61 -0.80 117.35 128.19 3kvn s TYR 140 Ca 0.32 0.09 -0.07 0.00 -1.01 0.00 0.00 57.07 56.40 3kvn s TYR 140 Cb -0.17 -1.62 0.07 0.00 -0.11 0.00 0.00 41.96 40.13 3kvn s TYR 140 CO 0.14 0.53 0.36 -0.47 -1.11 0.00 0.00 175.55 175.01 3kvn s TYR 141 N -1.60 -0.58 -0.02 2.71 5.04 -0.48 0.40 117.35 122.82 3kvn s TYR 141 Ca 0.32 1.22 0.02 0.00 -2.44 0.00 0.00 57.07 56.19 3kvn s TYR 141 Cb -0.11 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.39 3kvn s TYR 141 CO 0.25 -0.36 -0.08 0.42 -1.34 0.00 0.00 175.55 174.43 3kvn s ILE 142 N 1.83 0.72 0.38 3.14 1.01 -0.21 -0.55 121.20 127.53 3kvn s ILE 142 Ca -0.06 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.32 3kvn s ILE 142 Cb -0.10 -0.64 -0.07 0.00 0.01 0.00 0.00 42.46 41.65 3kvn s ILE 142 CO -0.11 0.23 0.00 0.42 0.00 0.00 0.00 174.94 175.47 3kvn s THR 143 N 0.14 1.85 0.00 2.92 -4.23 -0.89 -2.56 115.64 112.87 3kvn s THR 143 Ca -0.02 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3kvn s THR 143 Cb -0.07 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3kvn s THR 143 CO 0.00 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 3kvn n GLY 144 N -0.87 4.12 0.00 3.99 0.00 -1.26 -4.09 105.19 107.08 3kvn n GLY 144 Ca -0.04 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.46 2.60 0.12 -0.02 0.00 -1.26 -4.87 105.19 100.30 3kvn n GLY 145 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 0.08 1.87 -0.02 0.00 -1.98 -2.38 103.07 100.65 3kvn h GLY 146 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3kvn h GLY 146 CO 0.00 -0.08 -0.06 3.43 0.00 0.00 0.00 176.54 179.83 3kvn h ASN 147 N -0.04 0.15 -0.70 0.19 2.35 -1.90 0.08 115.58 115.71 3kvn h ASN 147 Ca 0.08 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 3kvn h ASN 147 Cb 0.17 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 3kvn h ASN 147 CO -0.19 0.24 0.38 0.44 -1.65 0.00 0.00 177.43 176.65 3kvn h ASP 148 N 0.16 0.54 -0.04 5.81 5.19 -1.73 -1.16 116.42 125.19 3kvn h ASP 148 Ca 0.04 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 3kvn h ASP 148 Cb 0.21 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 3kvn h ASP 148 CO 0.01 0.33 -0.01 -0.26 -3.12 0.00 0.00 179.24 176.20 3kvn h PHE 149 N 0.67 0.07 -0.95 4.55 0.04 -0.81 -1.58 116.94 118.95 3kvn h PHE 149 Ca 0.33 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.15 3kvn h PHE 149 Cb 0.26 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.33 3kvn h PHE 149 CO -0.09 0.40 0.61 -0.07 -0.60 0.00 0.00 178.31 178.57 3kvn h LEU 150 N -0.27 0.96 -1.33 1.54 3.38 -0.73 -0.87 115.31 117.99 3kvn h LEU 150 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kvn h LEU 150 Cb 0.37 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kvn h LEU 150 CO 0.00 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.15 3kvn n GLN 151 N -4.49 1.85 -1.25 1.13 6.02 -0.47 -4.85 117.38 115.31 3kvn n GLN 151 Ca 0.14 -0.85 -0.09 0.00 -0.01 0.00 0.00 57.00 56.20 3kvn n GLN 151 Cb 0.19 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.93 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 0.46 1.00 0.33 1.08 0.00 -0.33 -4.85 105.19 102.88 3kvn n GLY 152 Ca 0.08 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.02 1.44 -3.70 1.61 1.74 -0.60 -4.58 116.66 110.55 3kvn n ARG 153 Ca -0.09 -0.66 -0.30 0.00 -0.77 0.00 0.00 57.85 56.04 3kvn n ARG 153 Cb 0.38 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.91 0.67 0.00 0.55 1.01 -1.22 -4.86 121.20 115.45 3kvn s ILE 154 Ca 0.34 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3kvn s ILE 154 Cb 0.17 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3kvn s ILE 154 CO 0.27 -0.66 0.14 0.18 0.00 0.00 0.00 174.94 174.88 3kvn n LEU 155 N 4.94 0.28 -4.01 2.97 4.77 -1.26 -4.91 117.00 119.78 3kvn n LEU 155 Ca -0.03 -0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 55.30 3kvn n LEU 155 Cb 0.42 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3kvn n LEU 155 CO 0.10 0.07 0.19 0.54 -1.33 0.00 0.00 177.39 176.96 3kvn s ASN 156 N -0.52 0.14 0.21 -1.43 2.20 -1.26 -5.05 114.94 109.23 3kvn s ASN 156 Ca 0.00 -1.08 -0.09 0.00 -0.94 0.00 0.00 52.86 50.75 3kvn s ASN 156 Cb 0.00 0.62 0.25 0.00 -2.00 0.00 0.00 41.25 40.12 3kvn s ASN 156 CO 0.00 -1.22 1.80 0.44 -2.94 0.00 0.00 177.10 175.19 3kvn h ASP 157 N 2.21 0.53 -0.33 3.54 3.32 -1.97 -2.08 116.42 121.64 3kvn h ASP 157 Ca -0.27 0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.84 3kvn h ASP 157 Cb 1.25 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 3kvn h ASP 157 CO 0.37 0.34 0.15 0.58 -1.72 0.00 0.00 179.24 178.95 3kvn h VAL 158 N 0.67 0.96 -0.22 -1.35 2.07 -1.99 -0.97 116.25 115.42 3kvn h VAL 158 Ca 0.30 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 3kvn h VAL 158 Cb 0.20 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3kvn h VAL 158 CO -0.19 0.06 -0.11 1.56 0.02 0.00 0.00 177.57 178.91 3kvn h GLN 159 N 0.31 0.36 -0.26 1.57 4.20 -1.78 0.56 115.11 120.07 3kvn h GLN 159 Ca 0.14 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 3kvn h GLN 159 Cb 0.08 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3kvn h GLN 159 CO -0.12 0.48 -0.41 0.00 -0.67 0.00 0.00 178.83 178.11 3kvn h ALA 160 N 1.55 0.41 -0.71 3.87 0.00 -0.79 -1.30 119.26 122.29 3kvn h ALA 160 Ca 0.07 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3kvn h ALA 160 Cb 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3kvn h ALA 160 CO 0.02 0.51 0.28 1.96 0.00 0.00 0.00 179.25 182.03 3kvn h GLN 161 N 0.48 1.07 -0.51 0.00 4.20 -0.83 -1.30 115.11 118.23 3kvn h GLN 161 Ca 0.02 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 3kvn h GLN 161 Cb 1.00 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 3kvn h GLN 161 CO 0.09 0.89 0.12 1.96 -0.67 0.00 0.00 178.83 181.22 3kvn h GLN 162 N 1.02 0.78 -0.26 1.46 4.20 -0.70 -0.97 115.11 120.64 3kvn h GLN 162 Ca 0.24 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 3kvn h GLN 162 Cb 0.22 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3kvn h GLN 162 CO -0.02 0.70 -0.40 0.00 -0.67 0.00 0.00 178.83 178.45 3kvn h ALA 163 N 1.38 0.82 -0.54 3.87 0.00 -0.95 -1.85 119.26 121.99 3kvn h ALA 163 Ca 0.17 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3kvn h ALA 163 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kvn h ALA 163 CO -0.00 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.91 3kvn h ALA 164 N 1.06 1.01 -0.38 0.00 0.00 -0.78 -2.39 119.26 117.78 3kvn h ALA 164 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3kvn h ALA 164 Cb 0.91 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3kvn h ALA 164 CO 0.08 0.61 0.09 0.78 0.00 0.00 0.00 179.25 180.81 3kvn h GLY 165 N 1.00 0.59 1.76 0.00 0.00 -0.76 -1.52 103.07 104.15 3kvn h GLY 165 Ca 0.16 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 3kvn h GLY 165 CO 0.02 0.29 -0.61 3.21 0.00 0.00 0.00 176.54 179.46 3kvn h ARG 166 N 0.54 0.24 -0.09 4.80 3.08 -0.93 -0.20 114.38 121.82 3kvn h ARG 166 Ca 0.13 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kvn h ARG 166 Cb 0.21 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3kvn h ARG 166 CO -0.00 0.77 0.04 1.25 -1.07 0.00 0.00 179.97 180.96 3kvn h LEU 167 N 0.18 0.13 -1.43 3.04 5.85 -0.95 -2.87 115.31 119.25 3kvn h LEU 167 Ca -0.01 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3kvn h LEU 167 Cb 1.11 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3kvn h LEU 167 CO 0.09 0.24 0.39 0.58 -0.34 0.00 0.00 178.44 179.40 3kvn h VAL 168 N 0.00 1.14 -0.97 1.05 2.07 -1.09 -0.66 116.25 117.80 3kvn h VAL 168 Ca 0.03 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 67.45 3kvn h VAL 168 Cb 0.15 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 3kvn h VAL 168 CO -0.00 0.14 0.61 0.44 0.02 0.00 0.00 177.57 178.78 3kvn h ASP 169 N 0.78 0.74 -0.19 0.57 3.32 -0.81 -0.12 116.42 120.71 3kvn h ASP 169 Ca 0.22 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3kvn h ASP 169 Cb -0.07 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3kvn h ASP 169 CO -0.05 0.32 -0.06 0.28 -1.72 0.00 0.00 179.24 178.02 3kvn h SER 170 N 0.75 0.38 -0.53 6.45 0.02 -1.04 -0.87 113.55 118.71 3kvn h SER 170 Ca 0.52 -0.38 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 3kvn h SER 170 Cb 0.81 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.18 3kvn h SER 170 CO -0.29 0.67 0.11 0.58 -1.14 0.00 0.00 176.83 176.77 3kvn h VAL 171 N 0.08 0.70 -0.18 2.27 2.07 -1.15 -2.07 116.25 117.97 3kvn h VAL 171 Ca 0.05 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3kvn h VAL 171 Cb 0.51 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3kvn h VAL 171 CO 0.02 0.05 -0.31 1.56 0.02 0.00 0.00 177.57 178.91 3kvn h GLN 172 N 0.25 0.36 -0.64 1.57 4.20 -0.87 -0.80 115.11 119.18 3kvn h GLN 172 Ca 0.27 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3kvn h GLN 172 Cb 0.37 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 3kvn h GLN 172 CO -0.34 0.63 0.26 0.00 -0.67 0.00 0.00 178.83 178.72 3kvn h ALA 173 N 1.36 0.83 -0.18 3.87 0.00 -0.49 0.04 119.26 124.68 3kvn h ALA 173 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3kvn h ALA 173 Cb 0.70 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kvn h ALA 173 CO 0.05 0.43 -0.16 -0.07 0.00 0.00 0.00 179.25 179.51 3kvn h LEU 174 N 0.89 0.45 0.14 0.00 3.38 -1.04 -2.27 115.31 116.86 3kvn h LEU 174 Ca 0.21 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3kvn h LEU 174 Cb 0.19 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3kvn h LEU 174 CO -0.02 0.83 -0.28 -0.61 0.09 0.00 0.00 178.44 178.44 3kvn h GLN 175 N 0.09 -0.49 -0.57 1.13 4.15 -1.04 0.73 115.11 119.10 3kvn h GLN 175 Ca 0.03 0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.64 3kvn h GLN 175 Cb 0.69 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.47 3kvn h GLN 175 CO 0.04 -0.33 0.41 1.96 -1.93 0.00 0.00 178.83 178.98 3kvn h GLN 176 N -0.51 0.04 -0.01 1.69 4.20 -1.00 0.24 115.11 119.76 3kvn h GLN 176 Ca 0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3kvn h GLN 176 Cb 0.53 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3kvn h GLN 176 CO -0.15 0.03 -0.01 0.00 -0.67 0.00 0.00 178.83 178.02 3kvn n ALA 177 N -2.63 2.65 0.00 3.87 0.00 -0.50 -4.91 120.51 118.98 3kvn n ALA 177 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3kvn n ALA 177 Cb 0.62 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.09 3.75 0.00 0.00 0.84 -0.70 105.19 111.28 3kvn n GLY 178 Ca 0.21 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 3.45 -0.07 4.61 0.00 0.13 -4.18 121.76 123.71 3kvn s ALA 179 Ca 0.00 1.00 0.02 0.00 0.00 0.00 0.00 51.96 52.98 3kvn s ALA 179 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3kvn s ALA 179 CO 0.00 -0.37 0.08 0.54 0.00 0.00 0.00 175.76 176.01 3kvn n ARG 180 N 1.81 4.25 -3.63 0.00 1.74 -1.26 -4.44 116.66 115.13 3kvn n ARG 180 Ca 0.02 -0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 56.89 3kvn n ARG 180 Cb 0.44 -0.75 -0.16 0.00 -1.02 0.00 0.00 32.46 30.97 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 -1.51 -0.05 -0.18 -1.55 2.02 -1.26 -4.63 117.35 110.19 3kvn s TYR 181 Ca 0.00 0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.93 3kvn s TYR 181 Cb 0.02 -0.43 0.05 0.00 -0.40 0.00 0.00 41.96 41.20 3kvn s TYR 181 CO 0.09 -0.36 0.00 0.42 -1.57 0.00 0.00 175.55 174.13 3kvn s ILE 182 N 2.23 0.76 -0.00 2.71 1.01 -0.73 -0.28 121.20 126.89 3kvn s ILE 182 Ca 0.04 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 3kvn s ILE 182 Cb -0.14 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 3kvn s ILE 182 CO -0.07 -0.07 0.98 -0.69 0.00 0.00 0.00 174.94 175.09 3kvn s VAL 183 N 1.76 4.87 -0.07 2.92 1.01 0.16 -0.50 120.40 130.55 3kvn s VAL 183 Ca -0.01 2.06 0.02 0.00 0.00 0.00 0.00 61.98 64.05 3kvn s VAL 183 Cb -0.16 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 31.91 3kvn s VAL 183 CO -0.07 0.15 -0.10 -0.69 0.00 0.00 0.00 175.10 174.39 3kvn s VAL 184 N 1.05 0.99 0.15 2.92 1.01 -0.52 -1.04 120.40 124.96 3kvn s VAL 184 Ca 0.52 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3kvn s VAL 184 Cb -0.21 -0.94 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 3kvn s VAL 184 CO 0.28 0.33 1.13 0.26 0.00 0.00 0.00 175.10 177.10 3kvn s TRP 185 N 0.90 3.53 0.50 5.22 0.52 -1.06 -0.02 118.94 128.53 3kvn s TRP 185 Ca -0.10 1.52 -0.21 0.00 0.02 0.00 0.00 56.10 57.32 3kvn s TRP 185 Cb -0.15 -3.33 -0.07 0.00 -1.15 0.00 0.00 33.47 28.78 3kvn s TRP 185 CO 0.01 -0.82 1.13 -0.51 0.02 0.00 0.00 176.95 176.78 3kvn s LEU 186 N -0.06 3.88 0.22 2.99 1.02 -0.64 -4.85 118.68 121.24 3kvn s LEU 186 Ca 0.52 2.20 -0.30 0.00 0.02 0.00 0.00 54.13 56.57 3kvn s LEU 186 Cb -0.30 -4.43 -0.10 0.00 0.02 0.00 0.00 46.19 41.39 3kvn s LEU 186 CO 0.34 -1.03 1.43 -0.22 0.02 0.00 0.00 176.35 176.89 3kvn s LEU 187 N -3.41 4.39 0.87 1.79 2.96 -1.26 -4.57 118.68 119.44 3kvn s LEU 187 Ca 0.68 2.59 -0.12 0.00 -0.22 0.00 0.00 54.13 57.06 3kvn s LEU 187 Cb -0.25 -3.61 0.09 0.00 0.50 0.00 0.00 46.19 42.91 3kvn s LEU 187 CO 0.29 -0.68 0.99 -2.65 -1.32 0.00 0.00 176.35 172.98 3kvn n PRO 188 N 2.73 -0.13 -2.05 0.98 -0.02 -1.26 -4.58 135.00 130.67 3kvn n PRO 188 Ca 0.08 0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 3kvn n PRO 188 Cb 0.41 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 -2.24 5.57 0.27 2.55 -1.08 -1.26 -4.84 116.67 115.63 3kvn s ASP 189 Ca 0.68 0.72 0.24 0.00 -0.52 0.00 0.00 52.55 53.66 3kvn s ASP 189 Cb -0.26 -2.53 1.01 0.00 -1.46 0.00 0.00 42.92 39.68 3kvn s ASP 189 CO 0.57 -2.07 1.71 0.18 0.52 0.00 0.00 175.17 176.08 3kvn n LEU 190 N 11.60 0.68 0.00 -1.34 4.77 -1.26 -0.73 117.00 130.72 3kvn n LEU 190 Ca 0.21 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 57.00 3kvn n LEU 190 Cb 0.50 -0.60 0.58 0.00 -2.33 0.00 0.00 43.42 41.57 3kvn n LEU 190 CO 0.70 -0.60 0.93 0.61 -1.33 0.00 0.00 177.39 177.69 3kvn n GLY 191 N -0.11 -1.40 2.56 -0.72 0.00 -1.26 -3.57 105.19 100.69 3kvn n GLY 191 Ca 0.02 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.48 5.85 -4.33 0.99 4.77 0.09 -3.59 117.00 119.30 3kvn n LEU 192 Ca 0.07 -4.98 -0.21 0.00 -0.03 0.00 0.00 56.01 50.86 3kvn n LEU 192 Cb 0.30 -0.68 -0.11 0.00 -2.33 0.00 0.00 43.42 40.61 3kvn n LEU 192 CO 0.24 2.02 -0.48 0.42 -1.33 0.00 0.00 177.39 178.26 3kvn s THR 193 N -5.23 1.77 0.59 -5.08 -4.23 -1.23 -4.94 115.64 97.28 3kvn s THR 193 Ca 0.51 -1.92 0.28 0.00 -1.18 0.00 0.00 61.69 59.38 3kvn s THR 193 Cb 0.42 -1.83 0.37 0.00 1.34 0.00 0.00 72.50 72.80 3kvn s THR 193 CO -0.22 -0.34 2.00 -0.65 -0.54 0.00 0.00 174.62 174.86 3kvn h PRO 194 N 3.22 0.00 -0.91 3.99 0.11 -1.10 0.11 132.00 137.42 3kvn h PRO 194 Ca -0.42 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.72 3kvn h PRO 194 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3kvn h PRO 194 CO 0.52 0.00 0.60 0.00 -0.21 0.00 0.00 178.00 178.91 3kvn h ALA 195 N 1.62 1.18 0.00 -0.75 0.00 -1.75 -3.34 119.26 116.22 3kvn h ALA 195 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kvn h ALA 195 Cb 0.84 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kvn h ALA 195 CO -0.00 0.50 -0.48 0.25 0.00 0.00 0.00 179.25 179.52 3kvn n THR 196 N -4.48 0.00 -1.69 0.00 -2.24 -0.76 -5.00 114.28 100.11 3kvn n THR 196 Ca 0.11 -0.18 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 3kvn n THR 196 Cb 0.05 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.07 2.40 -0.82 4.78 7.35 0.32 -0.98 117.46 129.43 3kvn n PHE 197 Ca 0.00 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 3kvn n PHE 197 Cb 0.00 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.29 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 2.76 0.85 4.02 7.13 0.00 -1.26 -4.96 105.19 113.72 3kvn n GLY 198 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 1.84 0.54 -0.02 0.00 -0.16 -5.01 107.32 102.52 3kvn s GLY 199 Ca 0.00 -1.86 0.34 0.00 0.00 0.00 0.00 44.72 43.20 3kvn s GLY 199 CO 0.00 -1.54 2.02 -0.56 0.00 0.00 0.00 173.10 173.02 3kvn h PRO 200 N 0.35 0.00 0.00 2.90 0.13 -1.94 -2.72 132.00 130.72 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 -0.16 -0.07 -0.23 0.00 0.00 178.00 177.97 3kvn h LEU 201 N 0.00 0.00 -0.44 1.56 3.38 -1.95 -3.40 115.31 114.46 3kvn h LEU 201 Ca 0.00 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3kvn h LEU 201 Cb 0.41 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 3kvn h LEU 201 CO 0.00 0.01 -0.29 -0.61 0.09 0.00 0.00 178.44 177.65 3kvn h GLN 202 N 0.00 -0.19 -0.49 1.13 4.15 -1.56 0.12 115.11 118.27 3kvn h GLN 202 Ca 0.00 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 3kvn h GLN 202 Cb 0.88 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 3kvn h GLN 202 CO 0.00 -0.12 -0.11 -1.35 -1.93 0.00 0.00 178.83 175.32 3kvn h PRO 203 N -0.19 0.91 -0.26 -2.39 0.11 -1.82 0.60 132.00 128.96 3kvn h PRO 203 Ca 0.20 -0.32 -0.13 0.00 0.11 0.00 0.00 66.00 65.85 3kvn h PRO 203 Cb 0.51 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3kvn h PRO 203 CO -0.56 0.97 -0.39 0.74 -0.21 0.00 0.00 178.00 178.55 3kvn h PHE 204 N 0.82 0.72 0.04 0.65 0.04 -1.71 -1.78 116.94 115.72 3kvn h PHE 204 Ca 0.13 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3kvn h PHE 204 Cb 0.63 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 3kvn h PHE 204 CO 0.04 0.91 -0.04 0.00 -0.60 0.00 0.00 178.31 178.62 3kvn h ALA 205 N 1.07 -0.07 -0.75 2.45 0.00 -0.12 -1.60 119.26 120.23 3kvn h ALA 205 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kvn h ALA 205 Cb 0.90 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3kvn h ALA 205 CO 0.08 -0.55 0.42 0.77 0.00 0.00 0.00 179.25 179.98 3kvn h SER 206 N -0.09 0.93 0.66 0.00 0.02 -0.73 -1.70 113.55 112.63 3kvn h SER 206 Ca 0.00 -0.09 -0.18 0.00 -0.84 0.00 0.00 61.79 60.68 3kvn h SER 206 Cb 0.08 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3kvn h SER 206 CO -0.01 0.75 -0.83 0.06 -1.14 0.00 0.00 176.83 175.66 3kvn h GLN 207 N 1.03 0.12 -0.00 3.45 -0.00 -1.22 -1.58 115.11 116.91 3kvn h GLN 207 Ca 0.27 -0.12 -0.13 0.00 -0.00 0.00 0.00 58.65 58.67 3kvn h GLN 207 Cb 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.51 3kvn h GLN 207 CO -0.04 0.88 -0.60 -0.07 -0.00 0.00 0.00 178.83 178.99 3kvn h LEU 208 N 0.07 0.00 -0.41 0.06 3.38 -1.14 -2.02 115.31 115.26 3kvn h LEU 208 Ca -0.03 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kvn h LEU 208 Cb 1.44 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3kvn h LEU 208 CO 0.12 0.60 0.08 0.28 0.09 0.00 0.00 178.44 179.61 3kvn h SER 209 N 0.00 0.63 -0.32 -0.43 0.02 -1.04 -1.66 113.55 110.75 3kvn h SER 209 Ca -0.01 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3kvn h SER 209 Cb 1.07 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 3kvn h SER 209 CO 0.08 0.72 0.12 1.23 -1.14 0.00 0.00 176.83 177.84 3kvn h GLY 210 N 0.52 0.41 1.00 -3.77 0.00 -1.10 -2.01 103.07 98.12 3kvn h GLY 210 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3kvn h GLY 210 CO 0.01 0.04 0.36 -0.84 0.00 0.00 0.00 176.54 176.11 3kvn h THR 211 N 0.27 1.15 -0.13 4.70 2.02 -1.25 -0.95 112.91 118.71 3kvn h THR 211 Ca 0.14 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 67.07 3kvn h THR 211 Cb 0.10 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 3kvn h THR 211 CO -0.14 0.15 -0.14 0.15 0.37 0.00 0.00 175.52 175.91 3kvn h PHE 212 N 0.75 -0.36 -0.10 3.16 3.57 -1.07 -2.30 116.94 120.60 3kvn h PHE 212 Ca 0.20 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.60 3kvn h PHE 212 Cb -0.07 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3kvn h PHE 212 CO -0.03 -0.21 -0.47 -0.91 -2.23 0.00 0.00 178.31 174.46 3kvn h ASN 213 N -0.17 0.26 -0.37 0.41 2.35 -1.06 -0.01 115.58 116.99 3kvn h ASN 213 Ca 0.09 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 3kvn h ASN 213 Cb 0.31 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3kvn h ASN 213 CO -0.24 0.70 -0.16 0.00 -1.65 0.00 0.00 177.43 176.09 3kvn h ALA 214 N 1.31 0.89 -0.09 -0.83 0.00 -1.04 0.12 119.26 119.63 3kvn h ALA 214 Ca 0.01 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 3kvn h ALA 214 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kvn h ALA 214 CO 0.07 0.63 -0.69 0.93 0.00 0.00 0.00 179.25 180.19 3kvn h GLU 215 N 0.75 0.39 0.27 0.00 4.39 -1.14 -2.27 114.58 116.97 3kvn h GLU 215 Ca 0.11 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 3kvn h GLU 215 Cb 0.67 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3kvn h GLU 215 CO 0.05 0.94 -0.13 1.25 -1.16 0.00 0.00 179.01 179.96 3kvn h LEU 216 N 0.27 -0.31 -0.70 1.33 5.85 -0.64 0.54 115.31 121.66 3kvn h LEU 216 Ca -0.02 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 3kvn h LEU 216 Cb 1.25 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 3kvn h LEU 216 CO 0.12 -0.05 -0.19 0.71 -0.34 0.00 0.00 178.44 178.69 3kvn h THR 217 N -0.56 1.27 -0.27 1.05 1.35 -0.83 -0.45 112.91 114.47 3kvn h THR 217 Ca -0.04 -1.30 -0.05 0.00 -0.55 0.00 0.00 66.41 64.48 3kvn h THR 217 Cb 0.41 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3kvn h THR 217 CO 0.06 0.44 -0.02 0.00 -0.25 0.00 0.00 175.52 175.75 3kvn h ALA 218 N 1.08 0.36 -0.21 6.62 0.00 -1.40 0.45 119.26 126.16 3kvn h ALA 218 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kvn h ALA 218 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kvn h ALA 218 CO 0.05 0.12 0.08 1.96 0.00 0.00 0.00 179.25 181.46 3kvn h GLN 219 N 0.26 0.32 -0.84 0.00 4.20 -0.75 -2.67 115.11 115.63 3kvn h GLN 219 Ca 0.07 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3kvn h GLN 219 Cb 0.46 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 3kvn h GLN 219 CO 0.02 0.40 0.55 -0.07 -0.67 0.00 0.00 178.83 179.06 3kvn h LEU 220 N 0.18 0.95 -1.77 1.46 3.38 -1.06 0.93 115.31 119.37 3kvn h LEU 220 Ca 0.07 -0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.23 3kvn h LEU 220 Cb 0.20 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3kvn h LEU 220 CO -0.00 0.69 0.57 -1.28 0.09 0.00 0.00 178.44 178.50 3kvn h SER 221 N 1.12 0.19 -0.01 -0.43 0.87 -0.56 -1.90 113.55 112.83 3kvn h SER 221 Ca 0.31 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3kvn h SER 221 Cb -0.11 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3kvn h SER 221 CO -0.07 0.08 -0.23 0.00 -0.53 0.00 0.00 176.83 176.07 3kvn n GLN 222 N -4.40 1.73 0.15 2.24 6.02 -0.14 -4.41 117.38 118.58 3kvn n GLN 222 Ca 0.17 -0.80 0.02 0.00 -0.01 0.00 0.00 57.00 56.38 3kvn n GLN 222 Cb 0.76 -1.20 0.19 0.00 1.02 0.00 0.00 30.24 31.01 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 2.36 0.86 -0.33 -1.58 0.00 -0.05 -3.47 119.26 117.05 3kvn h ALA 223 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3kvn h ALA 223 Cb 0.47 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3kvn h ALA 223 CO 0.00 0.67 -0.13 0.41 0.00 0.00 0.00 179.25 180.20 3kvn n GLY 224 N 0.52 0.89 3.86 0.00 0.00 -1.24 -5.03 105.19 104.20 3kvn n GLY 224 Ca -0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.17 3.30 -1.22 4.61 0.00 -1.26 -4.99 121.76 120.02 3kvn s ALA 225 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 3kvn s ALA 225 Cb 0.00 -2.78 0.13 0.00 0.00 0.00 0.00 23.12 20.47 3kvn s ALA 225 CO 0.00 0.05 1.52 1.21 0.00 0.00 0.00 175.76 178.55 3kvn s ASN 226 N -2.90 6.95 -0.18 0.00 2.47 -1.26 -4.97 114.94 115.04 3kvn s ASN 226 Ca 0.53 -2.71 -0.08 0.00 0.42 0.00 0.00 52.86 51.03 3kvn s ASN 226 Cb -0.10 -2.47 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 3kvn s ASN 226 CO 0.27 -0.93 0.08 -0.69 -3.72 0.00 0.00 177.10 172.11 3kvn s VAL 227 N 2.66 4.93 -0.50 -5.21 1.01 -1.26 -1.77 120.40 120.25 3kvn s VAL 227 Ca 0.46 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 3kvn s VAL 227 Cb -0.00 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.22 3kvn s VAL 227 CO 0.02 0.46 0.56 -0.63 0.00 0.00 0.00 175.10 175.51 3kvn s ILE 228 N 0.31 4.99 0.16 2.22 1.09 0.34 -4.48 121.20 125.82 3kvn s ILE 228 Ca 0.04 -0.72 -0.28 0.00 -1.10 0.00 0.00 60.65 58.59 3kvn s ILE 228 Cb -0.12 -4.26 -0.07 0.00 -1.06 0.00 0.00 42.46 36.94 3kvn s ILE 228 CO -0.00 -0.76 0.88 -2.16 -0.10 0.00 0.00 174.94 172.80 3kvn s PRO 229 N 2.32 4.69 -0.35 2.79 0.04 -1.26 -1.44 135.00 141.79 3kvn s PRO 229 Ca 0.11 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 3kvn s PRO 229 Cb -0.21 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 3kvn s PRO 229 CO 0.10 0.41 0.45 -0.51 0.04 0.00 0.00 177.00 177.48 3kvn s LEU 230 N -0.66 4.40 -1.41 -3.56 1.02 0.96 -4.91 118.68 114.53 3kvn s LEU 230 Ca 0.41 -0.12 -0.13 0.00 0.02 0.00 0.00 54.13 54.31 3kvn s LEU 230 Cb -0.24 -2.48 0.08 0.00 0.02 0.00 0.00 46.19 43.57 3kvn s LEU 230 CO 0.29 -0.43 2.14 -3.20 0.02 0.00 0.00 176.35 175.17 3kvn n ASN 231 N 5.59 4.31 -0.18 2.29 2.85 -1.26 -1.61 115.26 127.25 3kvn n ASN 231 Ca -0.07 -2.92 -0.03 0.00 -0.11 0.00 0.00 54.58 51.45 3kvn n ASN 231 Cb 0.49 -1.60 0.06 0.00 1.24 0.00 0.00 39.78 39.97 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 3.90 0.94 -0.84 -1.44 1.08 -1.91 -1.93 117.51 117.31 3kvn h ILE 232 Ca 0.52 -0.18 0.07 0.00 -0.39 0.00 0.00 64.86 64.88 3kvn h ILE 232 Cb 0.63 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.69 3kvn h ILE 232 CO 1.81 0.10 0.52 -0.65 -0.69 0.00 0.00 178.15 179.23 3kvn h PRO 233 N 0.53 0.90 -0.33 2.37 0.11 -1.86 0.15 132.00 133.87 3kvn h PRO 233 Ca 0.24 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.13 3kvn h PRO 233 Cb 0.16 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 3kvn h PRO 233 CO -0.17 0.59 -0.48 1.25 -0.21 0.00 0.00 178.00 178.98 3kvn h LEU 234 N 0.93 0.98 -0.29 2.35 5.85 -1.88 -1.54 115.31 121.71 3kvn h LEU 234 Ca 0.38 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3kvn h LEU 234 Cb 0.21 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3kvn h LEU 234 CO -0.19 1.29 0.08 0.25 -0.34 0.00 0.00 178.44 179.54 3kvn h LEU 235 N 0.71 0.08 -0.38 2.25 5.85 -0.91 -1.73 115.31 121.17 3kvn h LEU 235 Ca 0.03 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kvn h LEU 235 Cb 1.08 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3kvn h LEU 235 CO 0.11 0.08 0.23 0.25 -0.34 0.00 0.00 178.44 178.77 3kvn h LEU 236 N 0.20 0.37 -0.90 2.25 6.46 -0.80 0.11 115.31 123.01 3kvn h LEU 236 Ca 0.13 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 58.01 3kvn h LEU 236 Cb 0.11 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 39.88 3kvn h LEU 236 CO -0.15 0.27 0.53 0.11 -0.62 0.00 0.00 178.44 178.58 3kvn h LYS 237 N 0.47 0.79 -0.52 1.25 1.57 -1.03 0.19 116.57 119.30 3kvn h LYS 237 Ca 0.15 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3kvn h LYS 237 Cb -0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3kvn h LYS 237 CO -0.06 0.53 -0.02 0.93 -0.57 0.00 0.00 179.45 180.25 3kvn h GLU 238 N 0.82 0.93 -0.60 3.15 5.08 -0.48 -0.97 114.58 122.50 3kvn h GLU 238 Ca 0.46 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3kvn h GLU 238 Cb 0.51 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3kvn h GLU 238 CO -0.29 0.96 0.37 0.78 -1.00 0.00 0.00 179.01 179.83 3kvn h GLY 239 N 0.80 0.86 1.01 -3.84 0.00 0.04 -1.09 103.07 100.83 3kvn h GLY 239 Ca 0.14 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.20 3kvn h GLY 239 CO 0.03 0.24 0.55 -0.33 0.00 0.00 0.00 176.54 177.03 3kvn h MET 240 N 0.74 1.10 0.00 4.80 2.86 -0.24 -0.41 114.93 123.78 3kvn h MET 240 Ca 0.24 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 3kvn h MET 240 Cb 0.01 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 3kvn h MET 240 CO -0.09 0.73 -0.43 0.00 1.06 0.00 0.00 176.91 178.17 3kvn h ALA 241 N 1.30 1.04 -1.31 6.32 0.00 -0.90 -3.38 119.26 122.33 3kvn h ALA 241 Ca 0.30 -0.39 -0.44 0.00 0.00 0.00 0.00 54.91 54.38 3kvn h ALA 241 Cb -0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 17.29 3kvn h ALA 241 CO -0.07 0.54 -0.90 -1.71 0.00 0.00 0.00 179.25 177.12 3kvn n ASN 242 N -3.67 -0.86 -0.29 0.00 2.85 -0.44 -5.01 115.26 107.84 3kvn n ASN 242 Ca -0.01 -2.92 -0.05 0.00 -0.11 0.00 0.00 54.58 51.49 3kvn n ASN 242 Cb 0.52 0.22 0.07 0.00 1.24 0.00 0.00 39.78 41.82 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 3.95 1.09 -0.21 1.20 0.11 -1.29 -2.18 132.00 134.67 3kvn h PRO 243 Ca -0.00 -0.12 0.06 0.00 0.11 0.00 0.00 66.00 66.04 3kvn h PRO 243 Cb 0.94 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3kvn h PRO 243 CO 0.41 0.80 0.16 0.00 -0.21 0.00 0.00 178.00 179.16 3kvn h ALA 244 N 1.23 2.14 0.00 -0.75 0.00 -1.85 0.16 119.26 120.19 3kvn h ALA 244 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kvn h ALA 244 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kvn h ALA 244 CO -0.05 -0.26 0.00 0.66 0.00 0.00 0.00 179.25 179.60 3kvn h SER 245 N 0.00 0.00 -0.17 0.00 4.64 -1.70 -2.03 113.55 114.28 3kvn h SER 245 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3kvn h SER 245 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 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 -2.77 0.21 -0.96 4.77 3.01 0.47 -4.24 117.46 117.95 3kvn n PHE 246 Ca 0.01 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3kvn n PHE 246 Cb 0.26 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 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 1.06 0.51 3.89 1.37 0.00 -0.76 -4.63 105.19 106.64 3kvn n GLY 247 Ca 0.13 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 3.93 0.05 0.99 1.43 -0.55 -4.55 118.68 119.98 3kvn s LEU 248 Ca 0.00 0.89 -0.31 0.00 -1.03 0.00 0.00 54.13 53.68 3kvn s LEU 248 Cb 0.00 -3.74 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 3kvn s LEU 248 CO 0.00 -0.31 1.55 0.00 0.23 0.00 0.00 176.35 177.81 3kvn s ALA 249 N -2.26 3.65 -0.82 4.21 0.00 -0.57 -3.25 121.76 122.71 3kvn s ALA 249 Ca 0.47 1.09 0.27 0.00 0.00 0.00 0.00 51.96 53.79 3kvn s ALA 249 Cb -0.10 -3.65 0.90 0.00 0.00 0.00 0.00 23.12 20.26 3kvn s ALA 249 CO 0.32 -1.01 1.77 0.00 0.00 0.00 0.00 175.76 176.85 3kvn n ALA 250 N 5.40 2.41 -0.46 0.00 0.00 -1.26 -3.44 120.51 123.16 3kvn n ALA 250 Ca 0.15 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.60 3kvn n ALA 250 Cb 0.42 -1.43 0.29 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.97 3.97 -4.60 0.00 5.75 -1.26 -4.99 116.55 113.44 3kvn n ASP 251 Ca 0.06 -2.24 -0.24 0.00 -0.01 0.00 0.00 54.79 52.36 3kvn n ASP 251 Cb 0.40 -0.46 -0.08 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 -1.44 2.10 -0.82 0.11 -1.52 -1.22 -5.07 119.66 111.79 3kvn s GLN 252 Ca 0.43 -1.58 -0.21 0.00 -1.95 0.00 0.00 55.36 52.04 3kvn s GLN 252 Cb 0.25 -2.01 0.10 0.00 -0.22 0.00 0.00 33.01 31.13 3kvn s GLN 252 CO 0.24 0.30 1.09 1.21 -0.25 0.00 0.00 175.29 177.87 3kvn s ASN 253 N -3.65 6.42 0.20 5.90 2.47 -1.26 -4.87 114.94 120.14 3kvn s ASN 253 Ca 0.32 -1.53 0.25 0.00 0.42 0.00 0.00 52.86 52.32 3kvn s ASN 253 Cb -0.04 -2.42 0.55 0.00 -1.45 0.00 0.00 41.25 37.88 3kvn s ASN 253 CO 0.19 -1.27 1.55 -0.07 -3.72 0.00 0.00 177.10 173.77 3kvn h LEU 254 N 11.05 0.00 0.00 3.21 3.38 -1.92 -2.66 115.31 128.37 3kvn h LEU 254 Ca -0.03 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.61 3kvn h LEU 254 Cb 1.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 3kvn h LEU 254 CO 1.17 0.04 -2.02 -0.38 0.09 0.00 0.00 178.44 177.34 3kvn n ILE 255 N -2.31 1.12 0.95 1.22 2.08 -1.26 -4.38 119.36 116.78 3kvn n ILE 255 Ca 0.04 -0.75 0.10 0.00 0.56 0.00 0.00 62.75 62.71 3kvn n ILE 255 Cb 0.45 -0.51 -0.02 0.00 -0.75 0.00 0.00 39.64 38.81 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 1.56 -0.10 3.22 7.39 0.00 -1.23 -1.88 105.19 114.15 3kvn n GLY 256 Ca -0.21 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.46 1.12 0.33 2.61 -4.23 -1.01 -4.40 115.64 107.61 3kvn s THR 257 Ca 0.16 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3kvn s THR 257 Cb 0.17 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 3kvn s THR 257 CO 0.58 -0.59 0.13 0.00 -0.54 0.00 0.00 174.62 174.21 3kvn h PHE 259 N 2.12 0.56 0.00 0.00 3.57 -1.00 0.47 116.94 122.66 3kvn h PHE 259 Ca -0.35 -0.41 -0.21 0.00 3.53 0.00 0.00 57.97 60.53 3kvn h PHE 259 Cb 1.25 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 3kvn h PHE 259 CO 1.02 1.58 -1.39 0.66 -2.23 0.00 0.00 178.31 177.95 3kvn h SER 260 N -0.16 0.00 0.00 0.41 4.64 -1.02 0.58 113.55 118.00 3kvn h SER 260 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3kvn h SER 260 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 3kvn h SER 260 CO 0.11 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 3kvn n GLY 261 N 1.43 0.85 3.56 -0.77 0.00 -1.26 -4.82 105.19 104.17 3kvn n GLY 261 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.76 6.24 -0.51 1.61 -0.87 -1.26 -3.54 114.94 113.84 3kvn s ASN 262 Ca 0.00 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 50.98 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 -1.73 0.00 0.61 -2.57 0.00 0.00 177.10 173.41 3kvn n GLY 263 N 5.29 0.45 3.57 0.66 0.00 -1.26 -3.65 105.19 110.24 3kvn n GLY 263 Ca 0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.25 3.65 0.16 0.00 2.01 -1.26 -4.25 115.64 113.71 3kvn s THR 265 Ca 0.06 0.68 -0.33 0.00 0.31 0.00 0.00 61.69 62.41 3kvn s THR 265 Cb -0.01 -3.81 -0.13 0.00 0.01 0.00 0.00 72.50 68.56 3kvn s THR 265 CO -0.05 -0.47 1.66 0.80 -0.69 0.00 0.00 174.62 175.87 3kvn n MET 266 N 8.13 2.40 -1.69 4.92 1.56 -1.26 -1.16 117.12 130.03 3kvn n MET 266 Ca 0.20 0.87 -0.43 0.00 -0.27 0.00 0.00 57.70 58.07 3kvn n MET 266 Cb 0.47 -2.68 -0.03 0.00 2.15 0.00 0.00 33.22 33.13 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 3.92 3.97 0.11 6.12 2.85 0.17 -4.78 115.26 127.61 3kvn n ASN 267 Ca 0.17 1.00 0.02 0.00 -0.11 0.00 0.00 54.58 55.66 3kvn n ASN 267 Cb 0.31 -1.53 0.38 0.00 1.24 0.00 0.00 39.78 40.18 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 8.26 0.27 0.01 1.20 0.11 -1.91 -0.56 132.00 139.39 3kvn h PRO 268 Ca -0.46 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 3kvn h PRO 268 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3kvn h PRO 268 CO 0.95 0.39 -0.80 1.15 -0.21 0.00 0.00 178.00 179.48 3kvn h THR 269 N 0.26 1.26 -0.01 -1.15 2.02 -1.93 -2.12 112.91 111.24 3kvn h THR 269 Ca 0.05 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.97 3kvn h THR 269 Cb 0.36 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3kvn h THR 269 CO 0.02 0.45 -0.09 -1.22 0.37 0.00 0.00 175.52 175.06 3kvn n TYR 270 N -4.46 0.00 -0.88 3.16 4.01 -1.24 -0.21 117.16 117.53 3kvn n TYR 270 Ca -0.23 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.22 3kvn n TYR 270 Cb 0.62 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.85 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 -1.00 1.58 0.43 2.72 0.00 -0.22 -0.53 107.32 110.29 3kvn s GLY 271 Ca 0.09 -0.10 0.12 0.00 0.00 0.00 0.00 44.72 44.83 3kvn s GLY 271 CO 0.17 0.50 2.00 1.19 0.00 0.00 0.00 173.10 176.96 3kvn h ILE 272 N -2.11 0.96 -0.27 0.90 2.10 -0.09 0.06 117.51 119.06 3kvn h ILE 272 Ca -0.55 -0.16 -0.13 0.00 1.08 0.00 0.00 64.86 65.10 3kvn h ILE 272 Cb 1.31 0.46 -0.08 0.00 -1.09 0.00 0.00 36.82 37.42 3kvn h ILE 272 CO 0.52 0.08 -0.15 0.59 -1.08 0.00 0.00 178.15 178.11 3kvn n ASN 273 N -4.47 2.41 -4.04 2.19 3.02 -1.26 -4.79 115.26 108.31 3kvn n ASN 273 Ca 0.08 -3.73 -0.28 0.00 -0.03 0.00 0.00 54.58 50.62 3kvn n ASN 273 Cb 0.28 -0.60 0.19 0.00 -0.61 0.00 0.00 39.78 39.03 3kvn n ASN 273 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kvn n GLY 274 N -1.10 -1.05 0.37 7.41 0.00 0.01 -4.99 105.19 105.84 3kvn n GLY 274 Ca 0.29 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 3kvn n GLY 274 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kvn h SER 275 N -1.51 1.02 -2.39 1.61 4.64 -1.27 -3.34 113.55 112.30 3kvn h SER 275 Ca -0.41 -0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.30 3kvn h SER 275 Cb 1.19 -0.25 -0.39 0.00 -0.31 0.00 0.00 62.40 62.65 3kvn h SER 275 CO 0.31 0.73 -0.94 0.35 -0.87 0.00 0.00 176.83 176.41 3kvn n THR 276 N -4.41 -0.81 -1.70 2.95 -2.24 0.70 -5.06 114.28 103.71 3kvn n THR 276 Ca 0.11 -3.66 -0.44 0.00 -2.27 0.00 0.00 64.05 57.78 3kvn n THR 276 Cb 0.03 -1.75 -0.03 0.00 -2.10 0.00 0.00 70.33 66.48 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 2.56 2.45 -3.15 -0.78 -0.02 -1.25 -4.13 135.00 130.68 3kvn n PRO 277 Ca 0.28 0.88 0.04 0.00 -2.02 0.00 0.00 63.50 62.68 3kvn n PRO 277 Cb 0.47 -2.66 -0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 0.83 -1.49 0.48 2.55 -1.08 0.31 -4.98 116.67 113.29 3kvn s ASP 278 Ca 0.73 0.29 0.22 0.00 -0.52 0.00 0.00 52.55 53.27 3kvn s ASP 278 Cb -0.58 1.99 1.22 0.00 -1.46 0.00 0.00 42.92 44.09 3kvn s ASP 278 CO 0.40 -0.27 2.01 1.55 0.52 0.00 0.00 175.17 179.37 3kvn h PRO 279 N 7.94 0.00 0.00 4.34 0.14 -1.93 -2.39 132.00 140.11 3kvn h PRO 279 Ca -0.05 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.09 3kvn h PRO 279 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 3kvn h PRO 279 CO 0.14 0.18 0.00 -1.13 0.14 0.00 0.00 178.00 177.33 3kvn n SER 280 N -3.85 0.63 -0.12 1.44 3.41 -1.26 -1.59 113.62 112.28 3kvn n SER 280 Ca -0.02 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 3kvn n SER 280 Cb 0.27 -0.79 0.42 0.00 -0.26 0.00 0.00 64.21 63.85 3kvn n SER 280 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kvn n LYS 281 N -2.20 0.48 -4.50 4.33 4.76 -0.90 -4.56 118.16 115.57 3kvn n LYS 281 Ca 0.02 -0.24 -0.25 0.00 -2.87 0.00 0.00 58.31 54.97 3kvn n LYS 281 Cb 0.21 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 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 2.66 -0.20 -0.35 1.43 -0.62 -1.51 118.68 117.40 3kvn s LEU 282 Ca 0.21 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 3kvn s LEU 282 Cb 0.19 -1.06 -0.19 0.00 0.03 0.00 0.00 46.19 45.15 3kvn s LEU 282 CO 0.56 -0.07 0.14 -0.11 0.23 0.00 0.00 176.35 177.10 3kvn n LEU 283 N -0.70 2.07 -4.68 1.79 7.94 -1.26 -4.57 117.00 117.59 3kvn n LEU 283 Ca -0.05 0.35 -0.35 0.00 -1.11 0.00 0.00 56.01 54.84 3kvn n LEU 283 Cb 0.62 -0.97 -0.09 0.00 0.53 0.00 0.00 43.42 43.50 3kvn n LEU 283 CO 0.40 0.46 -0.20 -0.36 -1.11 0.00 0.00 177.39 176.58 3kvn s PHE 284 N -2.43 3.33 -0.03 1.96 0.08 -1.26 -0.10 117.98 119.53 3kvn s PHE 284 Ca -0.29 0.21 -0.21 0.00 0.12 0.00 0.00 56.93 56.75 3kvn s PHE 284 Cb 0.07 -2.17 -0.27 0.00 -0.57 0.00 0.00 43.02 40.08 3kvn s PHE 284 CO 0.61 0.17 0.99 -0.97 -0.10 0.00 0.00 175.22 175.92 3kvn h ASN 285 N 6.96 0.45 0.00 1.36 -1.24 0.60 -1.25 115.58 122.47 3kvn h ASN 285 Ca -0.39 -0.85 0.00 0.00 0.71 0.00 0.00 56.30 55.77 3kvn h ASN 285 Cb 1.16 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.07 3kvn h ASN 285 CO 0.71 1.26 0.00 -0.90 -1.29 0.00 0.00 177.43 177.21 3kvn n ASP 286 N -4.22 0.00 0.23 1.15 5.68 -1.18 -0.44 116.55 117.76 3kvn n ASP 286 Ca -0.12 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.29 3kvn n ASP 286 Cb 0.71 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.14 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 -1.79 -3.38 113.55 111.90 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 0.17 -0.13 1.33 -0.87 0.00 0.00 176.83 177.33 3kvn n VAL 288 N -3.27 0.00 -3.37 0.95 0.24 -1.26 -2.25 118.33 109.36 3kvn n VAL 288 Ca 0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 3kvn n VAL 288 Cb 0.43 0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.26 3.50 0.44 6.34 3.76 -1.26 -4.97 115.29 122.84 3kvn s HIS 289 Ca 0.00 0.81 -0.24 0.00 -0.15 0.00 0.00 55.06 55.49 3kvn s HIS 289 Cb 0.00 -2.49 -0.08 0.00 1.11 0.00 0.00 32.58 31.12 3kvn s HIS 289 CO 0.00 0.19 1.18 -2.14 -0.85 0.00 0.00 174.74 173.12 3kvn s PRO 290 N 0.57 3.85 1.14 8.40 0.02 -1.26 0.11 135.00 147.83 3kvn s PRO 290 Ca 0.23 1.83 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 3kvn s PRO 290 Cb -0.15 -2.51 0.27 0.00 0.02 0.00 0.00 34.50 32.13 3kvn s PRO 290 CO 0.09 -0.49 1.17 0.95 -0.33 0.00 0.00 177.00 178.38 3kvn s THR 291 N -1.48 1.70 0.32 0.99 -4.23 0.86 -4.45 115.64 109.35 3kvn s THR 291 Ca 0.61 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.22 3kvn s THR 291 Cb -0.30 -2.62 0.32 0.00 1.34 0.00 0.00 72.50 71.23 3kvn s THR 291 CO 0.37 0.00 1.74 -0.29 -0.54 0.00 0.00 174.62 175.90 3kvn h ILE 292 N -2.35 0.58 -0.55 2.99 6.09 -1.88 0.51 117.51 122.89 3kvn h ILE 292 Ca -0.45 -0.21 -0.05 0.00 -1.37 0.00 0.00 64.86 62.78 3kvn h ILE 292 Cb 1.28 -0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.46 3kvn h ILE 292 CO 0.35 0.11 0.15 0.74 -3.07 0.00 0.00 178.15 176.42 3kvn h THR 293 N 0.61 1.24 -0.68 2.19 2.02 -1.81 -0.63 112.91 115.85 3kvn h THR 293 Ca 0.62 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 3kvn h THR 293 Cb 1.17 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3kvn h THR 293 CO -0.44 0.31 0.24 1.23 0.37 0.00 0.00 175.52 177.24 3kvn h GLY 294 N 0.78 1.10 1.03 2.16 0.00 -1.36 -1.73 103.07 105.05 3kvn h GLY 294 Ca 0.17 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 3kvn h GLY 294 CO -0.00 0.57 0.10 1.46 0.00 0.00 0.00 176.54 178.67 3kvn h GLN 295 N 1.00 0.98 -0.54 4.80 1.08 -0.52 -1.77 115.11 120.14 3kvn h GLN 295 Ca 0.23 -0.26 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 3kvn h GLN 295 Cb 0.24 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3kvn h GLN 295 CO -0.01 0.93 0.05 0.00 -0.95 0.00 0.00 178.83 178.84 3kvn h ARG 296 N 0.88 0.92 -0.53 1.46 3.08 -0.95 -1.70 114.38 117.54 3kvn h ARG 296 Ca 0.18 -0.27 0.06 0.00 0.07 0.00 0.00 59.98 60.02 3kvn h ARG 296 Cb 0.42 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 3kvn h ARG 296 CO 0.01 0.91 0.23 -0.07 -1.07 0.00 0.00 179.97 179.98 3kvn h LEU 297 N 0.80 0.29 -0.31 3.04 4.07 -1.15 0.40 115.31 122.45 3kvn h LEU 297 Ca 0.16 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.12 3kvn h LEU 297 Cb 0.47 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 3kvn h LEU 297 CO 0.02 0.20 -0.00 0.40 -1.08 0.00 0.00 178.44 177.97 3kvn h ILE 298 N 0.44 1.26 -0.08 1.22 2.04 -1.13 0.92 117.51 122.18 3kvn h ILE 298 Ca 0.25 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 3kvn h ILE 298 Cb 0.22 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3kvn h ILE 298 CO -0.21 0.31 0.05 0.00 0.00 0.00 0.00 178.15 178.30 3kvn h ALA 299 N 0.84 0.11 -0.59 1.87 0.00 -0.93 -1.56 119.26 119.00 3kvn h ALA 299 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3kvn h ALA 299 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3kvn h ALA 299 CO 0.02 -0.38 0.19 -0.44 0.00 0.00 0.00 179.25 178.64 3kvn h ASP 300 N 0.08 0.82 -0.28 0.00 3.32 -0.13 -0.30 116.42 119.93 3kvn h ASP 300 Ca 0.03 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3kvn h ASP 300 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3kvn h ASP 300 CO -0.01 0.77 0.11 0.22 -1.72 0.00 0.00 179.24 178.61 3kvn h TYR 301 N 0.86 0.43 -0.61 4.55 3.20 -0.63 -0.37 116.97 124.40 3kvn h TYR 301 Ca 0.20 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 3kvn h TYR 301 Cb 0.24 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3kvn h TYR 301 CO 0.02 0.43 0.03 1.15 -1.64 0.00 0.00 178.16 178.14 3kvn h THR 302 N 0.30 1.27 -0.69 1.81 2.02 -0.97 -2.89 112.91 113.76 3kvn h THR 302 Ca 0.09 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 3kvn h THR 302 Cb 0.18 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3kvn h THR 302 CO -0.01 0.41 0.22 0.22 0.37 0.00 0.00 175.52 176.73 3kvn h TYR 303 N 0.97 1.09 -0.46 3.16 3.20 -0.85 -0.91 116.97 123.17 3kvn h TYR 303 Ca 0.18 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3kvn h TYR 303 Cb 0.53 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3kvn h TYR 303 CO 0.04 0.86 0.08 0.66 -1.64 0.00 0.00 178.16 178.16 3kvn h SER 304 N 1.02 0.66 -0.16 -2.11 4.64 -0.87 0.20 113.55 116.94 3kvn h SER 304 Ca 0.23 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 3kvn h SER 304 Cb 0.28 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3kvn h SER 304 CO -0.01 0.68 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.24 3kvn h LEU 305 N 0.68 0.56 -1.16 5.97 4.07 -1.27 -3.09 115.31 121.07 3kvn h LEU 305 Ca 0.15 -0.55 -0.08 0.00 0.08 0.00 0.00 57.88 57.47 3kvn h LEU 305 Cb 0.30 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3kvn h LEU 305 CO 0.00 1.01 -0.40 -0.07 -1.08 0.00 0.00 178.44 177.90 3kvn h LEU 306 N 0.14 0.00 0.00 1.67 4.07 -0.53 -3.16 115.31 117.50 3kvn h LEU 306 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3kvn h LEU 306 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 3kvn h LEU 306 CO 0.07 0.40 -0.66 -1.54 -1.08 0.00 0.00 178.44 175.63 3kvn n SER 307 N -3.88 0.61 0.04 -0.43 3.41 0.66 -4.22 113.62 109.80 3kvn n SER 307 Ca -0.01 -0.36 -0.11 0.00 -0.26 0.00 0.00 58.87 58.13 3kvn n SER 307 Cb 0.45 0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 64.79 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 2.92 -0.05 0.00 7.33 0.00 -1.50 -2.36 119.26 125.60 3kvn h ALA 308 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kvn h ALA 308 Cb 0.54 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kvn h ALA 308 CO 0.00 -0.56 -0.01 -1.00 0.00 0.00 0.00 179.25 177.69 3kvn h PRO 309 N -0.11 0.00 0.00 0.00 0.13 -1.79 -1.17 132.00 129.06 3kvn h PRO 309 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3kvn h PRO 309 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3kvn h PRO 309 CO -0.10 0.01 0.00 -1.49 -0.23 0.00 0.00 178.00 176.19 3kvn h TRP 310 N 0.00 0.00 0.00 1.56 6.55 -1.62 -2.59 115.95 119.85 3kvn h TRP 310 Ca -0.00 0.00 -0.28 0.00 0.95 0.00 0.00 58.89 59.56 3kvn h TRP 310 Cb 0.18 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.43 3kvn h TRP 310 CO 0.00 0.00 -1.94 0.39 -1.05 0.00 0.00 178.44 175.84 3kvn n GLU 311 N -2.59 0.36 0.09 0.49 1.02 -0.56 -0.80 120.64 118.65 3kvn n GLU 311 Ca 0.01 0.15 0.20 0.00 -0.02 0.00 0.00 57.16 57.50 3kvn n GLU 311 Cb 0.25 -1.12 0.75 0.00 -0.02 0.00 0.00 31.44 31.31 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 -0.55 0.00 -0.06 -4.62 -0.00 -1.32 0.11 115.31 108.88 3kvn h LEU 312 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 3kvn h LEU 312 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 3kvn h LEU 312 CO -0.24 0.00 -0.20 1.07 -0.00 0.00 0.00 178.44 179.07 3kvn n THR 313 N -3.86 0.00 0.57 0.22 5.66 -0.98 -2.67 114.28 113.23 3kvn n THR 313 Ca 0.07 -0.02 0.13 0.00 -3.05 0.00 0.00 64.05 61.18 3kvn n THR 313 Cb 0.57 -0.14 0.39 0.00 -1.55 0.00 0.00 70.33 69.60 3kvn n THR 313 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3kvn h LEU 314 N 0.14 0.00 -0.25 1.09 4.07 -1.00 -3.38 115.31 115.98 3kvn h LEU 314 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3kvn h LEU 314 Cb 0.46 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 3kvn h LEU 314 CO 0.00 0.00 0.13 -0.07 -1.08 0.00 0.00 178.44 177.42 3kvn h LEU 315 N 0.00 0.32 -1.87 1.67 3.38 -1.60 -1.39 115.31 115.82 3kvn h LEU 315 Ca 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3kvn h LEU 315 Cb 0.74 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3kvn h LEU 315 CO 0.00 0.34 -0.09 -0.65 0.09 0.00 0.00 178.44 178.13 3kvn h PRO 316 N 0.28 0.00 0.00 1.13 0.11 -1.80 -2.13 132.00 129.59 3kvn h PRO 316 Ca 0.09 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 3kvn h PRO 316 Cb 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3kvn h PRO 316 CO -0.01 0.09 -0.14 0.93 -0.21 0.00 0.00 178.00 178.66 3kvn h GLU 317 N 0.00 0.00 -0.38 1.05 4.39 -1.48 -1.64 114.58 116.52 3kvn h GLU 317 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3kvn h GLU 317 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3kvn h GLU 317 CO 0.01 0.14 -0.12 0.52 -1.16 0.00 0.00 179.01 178.40 3kvn h MET 318 N 0.00 0.75 -0.24 2.33 2.86 -0.66 -1.60 114.93 118.37 3kvn h MET 318 Ca -0.00 -0.30 -0.16 0.00 -2.06 0.00 0.00 59.70 57.17 3kvn h MET 318 Cb 0.71 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3kvn h MET 318 CO 0.02 0.91 -0.49 0.00 1.06 0.00 0.00 176.91 178.40 3kvn h ALA 319 N 0.82 0.38 -0.96 6.32 0.00 -1.43 -0.95 119.26 123.45 3kvn h ALA 319 Ca 0.09 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.58 3kvn h ALA 319 Cb 0.65 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3kvn h ALA 319 CO 0.04 0.55 0.62 0.45 0.00 0.00 0.00 179.25 180.92 3kvn h HIS 320 N 0.49 1.12 0.25 0.00 -0.00 -1.35 0.22 115.15 115.88 3kvn h HIS 320 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3kvn h HIS 320 Cb 1.10 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 28.14 3kvn h HIS 320 CO 0.08 0.57 -0.14 0.78 -0.00 0.00 0.00 177.93 179.22 3kvn h GLY 321 N 1.09 -0.38 1.66 2.45 0.00 -0.78 -0.86 103.07 106.25 3kvn h GLY 321 Ca 0.42 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.80 3kvn h GLY 321 CO -0.17 -0.15 -0.34 -0.91 0.00 0.00 0.00 176.54 174.97 3kvn h THR 322 N -0.38 1.29 -0.56 4.70 1.35 -0.91 -2.23 112.91 116.17 3kvn h THR 322 Ca -0.03 -1.41 -0.02 0.00 -0.55 0.00 0.00 66.41 64.41 3kvn h THR 322 Cb 0.31 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.22 3kvn h THR 322 CO 0.04 0.43 0.29 0.25 -0.25 0.00 0.00 175.52 176.28 3kvn h LEU 323 N 0.33 0.72 -0.84 3.87 5.85 -0.45 -0.50 115.31 124.29 3kvn h LEU 323 Ca 0.04 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 3kvn h LEU 323 Cb 0.76 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3kvn h LEU 323 CO 0.06 0.62 -0.56 0.03 -0.34 0.00 0.00 178.44 178.25 3kvn h ARG 324 N 0.76 0.05 -0.14 1.25 3.08 -0.97 -0.76 114.38 117.64 3kvn h ARG 324 Ca 0.20 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 3kvn h ARG 324 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3kvn h ARG 324 CO -0.03 0.60 -0.60 0.00 -1.07 0.00 0.00 179.97 178.87 3kvn h ALA 325 N 1.40 0.26 -0.41 0.04 0.00 -1.16 -0.79 119.26 118.60 3kvn h ALA 325 Ca -0.00 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.44 3kvn h ALA 325 Cb 1.01 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3kvn h ALA 325 CO 0.08 0.51 0.03 -0.92 0.00 0.00 0.00 179.25 178.95 3kvn h TYR 326 N 0.33 0.04 -0.61 0.00 3.20 -0.97 -1.15 116.97 117.82 3kvn h TYR 326 Ca -0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3kvn h TYR 326 Cb 1.24 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 3kvn h TYR 326 CO 0.10 -0.05 0.08 1.96 -1.64 0.00 0.00 178.16 178.61 3kvn h GLN 327 N 0.15 0.99 -0.79 1.82 4.20 -1.04 -2.37 115.11 118.08 3kvn h GLN 327 Ca 0.20 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3kvn h GLN 327 Cb 0.28 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3kvn h GLN 327 CO -0.31 0.93 0.49 -0.44 -0.67 0.00 0.00 178.83 178.83 3kvn h ASP 328 N 0.93 0.93 -0.12 1.46 3.32 -0.67 -0.51 116.42 121.76 3kvn h ASP 328 Ca 0.19 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 3kvn h ASP 328 Cb 0.43 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3kvn h ASP 328 CO 0.01 0.70 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.77 3kvn h GLU 329 N 1.08 0.64 -0.35 3.56 4.81 -0.86 -1.16 114.58 122.30 3kvn h GLU 329 Ca 0.28 -0.32 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 3kvn h GLU 329 Cb -0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3kvn h GLU 329 CO -0.06 0.92 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.92 3kvn h LEU 330 N 0.53 0.74 -1.18 1.64 4.07 -1.07 -2.94 115.31 117.10 3kvn h LEU 330 Ca 0.05 -0.40 -0.04 0.00 0.08 0.00 0.00 57.88 57.57 3kvn h LEU 330 Cb 0.90 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 3kvn h LEU 330 CO 0.08 0.97 0.09 -0.09 -1.08 0.00 0.00 178.44 178.41 3kvn h ARG 331 N 0.50 0.66 -0.86 1.13 2.43 -0.87 -1.48 114.38 115.89 3kvn h ARG 331 Ca 0.08 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3kvn h ARG 331 Cb 0.69 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 3kvn h ARG 331 CO 0.05 0.61 0.56 1.03 -1.51 0.00 0.00 179.97 180.72 3kvn h SER 332 N 0.64 0.96 -0.57 -3.80 0.87 -1.13 0.18 113.55 110.69 3kvn h SER 332 Ca 0.14 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 3kvn h SER 332 Cb 0.27 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3kvn h SER 332 CO 0.00 0.68 0.10 1.56 -0.53 0.00 0.00 176.83 178.63 3kvn h GLN 333 N 1.12 0.94 -0.60 2.24 1.08 -1.14 -1.64 115.11 117.11 3kvn h GLN 333 Ca 0.33 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 3kvn h GLN 333 Cb -0.07 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 3kvn h GLN 333 CO -0.09 0.90 0.11 -1.49 -0.95 0.00 0.00 178.83 177.30 3kvn h TRP 334 N 0.84 1.01 -0.10 2.96 6.55 -0.63 -0.76 115.95 125.82 3kvn h TRP 334 Ca 0.17 -0.12 -0.15 0.00 0.95 0.00 0.00 58.89 59.75 3kvn h TRP 334 Cb 0.41 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.41 3kvn h TRP 334 CO 0.03 0.85 -0.57 1.96 -1.05 0.00 0.00 178.44 179.66 3kvn h GLN 335 N 0.91 0.33 0.00 0.49 4.20 -0.47 0.48 115.11 121.06 3kvn h GLN 335 Ca 0.19 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3kvn h GLN 335 Cb 0.38 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3kvn h GLN 335 CO 0.01 0.81 -0.41 0.00 -0.67 0.00 0.00 178.83 178.57 3kvn h ALA 336 N 1.14 1.31 0.00 3.87 0.00 -1.10 -3.00 119.26 121.48 3kvn h ALA 336 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kvn h ALA 336 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kvn h ALA 336 CO 0.09 0.52 -0.62 -0.44 0.00 0.00 0.00 179.25 178.80 3kvn h ASP 337 N 0.00 0.00 -1.84 0.00 3.32 -0.43 -3.46 116.42 114.01 3kvn h ASP 337 Ca -0.00 -0.11 -0.66 0.00 0.02 0.00 0.00 57.03 56.27 3kvn h ASP 337 Cb 0.73 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.32 3kvn h ASP 337 CO 0.05 0.06 0.79 1.87 -1.72 0.00 0.00 179.24 180.29 3kvn n TRP 338 N -2.40 2.00 -3.89 4.55 -0.00 0.16 -0.89 117.44 116.97 3kvn n TRP 338 Ca 0.03 0.39 -0.26 0.00 -0.00 0.00 0.00 57.50 57.66 3kvn n TRP 338 Cb 0.48 -2.48 0.00 0.00 -0.00 0.00 0.00 31.31 29.31 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 4.40 -4.10 -1.85 5.87 -0.58 -1.26 -4.83 120.64 118.29 3kvn n GLU 339 Ca 0.21 0.50 -0.01 0.00 -0.42 0.00 0.00 57.16 57.44 3kvn n GLU 339 Cb 0.22 -4.91 0.02 0.00 -0.57 0.00 0.00 31.44 26.19 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 -2.96 -0.39 -4.82 1.62 5.15 -0.07 -5.03 115.26 108.76 3kvn n ASN 340 Ca -0.23 -1.28 -0.30 0.00 -0.60 0.00 0.00 54.58 52.17 3kvn n ASN 340 Cb 0.65 0.25 0.08 0.00 -0.53 0.00 0.00 39.78 40.23 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 0.02 2.93 1.24 1.20 0.51 -1.19 -4.74 118.94 118.92 3kvn s TRP 341 Ca 0.02 1.13 -0.19 0.00 -2.12 0.00 0.00 56.10 54.94 3kvn s TRP 341 Cb 0.07 -3.12 0.30 0.00 -0.81 0.00 0.00 33.47 29.92 3kvn s TRP 341 CO -0.02 -1.65 1.04 1.14 -0.51 0.00 0.00 176.95 176.95 3kvn s GLN 342 N -5.20 -1.52 0.74 4.98 0.00 -1.26 -4.99 119.66 112.41 3kvn s GLN 342 Ca 0.60 0.18 -0.13 0.00 -0.00 0.00 0.00 55.36 56.01 3kvn s GLN 342 Cb -0.14 -1.54 0.04 0.00 0.00 0.00 0.00 33.01 31.37 3kvn s GLN 342 CO 0.54 -3.96 1.12 -0.80 0.00 0.00 0.00 175.29 172.19 3kvn s ASN 343 N -3.43 4.54 0.67 12.60 0.01 -1.26 -4.94 114.94 123.13 3kvn s ASN 343 Ca 0.69 2.00 -0.17 0.00 -0.71 0.00 0.00 52.86 54.67 3kvn s ASN 343 Cb -0.14 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 3kvn s ASN 343 CO 0.58 -2.02 0.96 0.52 -1.51 0.00 0.00 177.10 175.63 3kvn n VAL 344 N -3.05 3.27 -0.81 1.60 0.31 -1.26 -2.09 118.33 116.30 3kvn n VAL 344 Ca 0.10 -0.43 -0.04 0.00 -0.01 0.00 0.00 64.34 63.96 3kvn n VAL 344 Cb 0.52 -1.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.32 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 1.20 0.39 3.03 2.92 0.00 -0.26 -5.00 105.19 107.46 3kvn n GLY 345 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3kvn n GLY 345 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kvn s GLN 346 N -1.74 2.28 -0.10 1.61 -2.07 -0.89 -4.84 119.66 113.93 3kvn s GLN 346 Ca 0.00 -0.74 -0.41 0.00 -1.82 0.00 0.00 55.36 52.39 3kvn s GLN 346 Cb 0.00 -2.33 -0.20 0.00 -1.09 0.00 0.00 33.01 29.39 3kvn s GLN 346 CO 0.00 -0.32 1.16 0.91 -1.32 0.00 0.00 175.29 175.71 3kvn n TRP 347 N 4.70 0.85 -4.03 9.60 7.02 -1.25 -3.98 117.44 130.35 3kvn n TRP 347 Ca -0.16 1.06 -0.34 0.00 -1.02 0.00 0.00 57.50 57.04 3kvn n TRP 347 Cb 0.48 -2.09 -0.15 0.00 -2.42 0.00 0.00 31.31 27.13 3kvn n TRP 347 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3kvn s ARG 348 N 0.58 2.88 0.26 -0.99 3.52 -0.13 -0.02 118.95 125.04 3kvn s ARG 348 Ca 0.93 -0.93 0.10 0.00 -0.13 0.00 0.00 55.73 55.70 3kvn s ARG 348 Cb -1.30 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.24 3kvn s ARG 348 CO 0.61 -0.32 -0.06 0.20 -0.81 0.00 0.00 175.30 174.91 3kvn s GLY 349 N 1.30 1.72 -0.02 8.12 0.00 -0.01 -1.05 107.32 117.37 3kvn s GLY 349 Ca 0.01 -1.68 -0.13 0.00 0.00 0.00 0.00 44.72 42.93 3kvn s GLY 349 CO -0.08 -1.75 0.27 -0.11 0.00 0.00 0.00 173.10 171.43 3kvn s PHE 350 N -2.28 -0.15 0.04 1.90 -0.12 -0.39 -0.48 117.98 116.50 3kvn s PHE 350 Ca 0.30 0.25 0.03 0.00 -0.05 0.00 0.00 56.93 57.46 3kvn s PHE 350 Cb -0.06 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.37 3kvn s PHE 350 CO 0.18 -0.34 -0.10 0.08 -0.05 0.00 0.00 175.22 174.99 3kvn s VAL 351 N -1.14 0.78 0.07 -2.49 1.01 -0.69 -1.63 120.40 116.32 3kvn s VAL 351 Ca -0.12 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 3kvn s VAL 351 Cb -0.05 -0.77 0.09 0.00 0.00 0.00 0.00 36.38 35.65 3kvn s VAL 351 CO 0.03 -0.17 1.18 -0.83 0.00 0.00 0.00 175.10 175.31 3kvn s GLY 352 N -1.26 -0.02 0.10 4.51 0.00 0.09 -0.05 107.32 110.69 3kvn s GLY 352 Ca -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.50 3kvn s GLY 352 CO 0.01 4.34 0.27 0.61 0.00 0.00 0.00 173.10 178.33 3kvn n GLY 353 N -0.82 1.50 0.00 0.20 0.00 -0.37 -0.19 105.19 105.50 3kvn n GLY 353 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.18 -1.37 3.39 -0.02 0.00 -0.83 -0.84 105.19 105.33 3kvn n GLY 354 Ca -0.02 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 1.61 0.03 -0.02 0.00 -0.52 -0.64 107.32 107.78 3kvn s GLY 355 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 42.92 3kvn s GLY 355 CO 0.00 -1.83 0.08 -0.86 0.00 0.00 0.00 173.10 170.49 3kvn s GLN 356 N -3.61 0.53 -0.04 2.90 0.00 0.09 -1.43 119.66 118.11 3kvn s GLN 356 Ca 0.25 -0.69 0.03 0.00 -0.00 0.00 0.00 55.36 54.96 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 0.10 -0.13 -0.13 0.50 0.00 0.00 0.00 175.29 175.63 3kvn s ARG 357 N -2.30 1.39 -0.10 9.60 3.52 0.77 -0.40 118.95 131.43 3kvn s ARG 357 Ca -0.08 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 3kvn s ARG 357 Cb -0.03 -1.24 -0.02 0.00 -1.56 0.00 0.00 34.95 32.09 3kvn s ARG 357 CO -0.03 0.18 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.02 3kvn s LEU 358 N 0.12 2.91 -0.26 -0.88 1.02 -0.28 -1.19 118.68 120.12 3kvn s LEU 358 Ca -0.04 -0.19 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 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 0.26 0.13 -0.62 0.02 0.00 0.00 176.35 176.15 3kvn s ASP 359 N -0.21 3.10 -0.15 2.29 -1.08 -0.41 -1.44 116.67 118.77 3kvn s ASP 359 Ca 0.02 -1.07 -0.06 0.00 -0.52 0.00 0.00 52.55 50.92 3kvn s ASP 359 Cb -0.13 -0.27 -0.04 0.00 -1.46 0.00 0.00 42.92 41.03 3kvn s ASP 359 CO 0.03 -0.41 0.05 -0.36 0.52 0.00 0.00 175.17 174.99 3kvn s PHE 360 N 2.13 3.26 0.29 -5.34 0.08 0.18 -0.95 117.98 117.62 3kvn s PHE 360 Ca 0.07 0.13 -0.09 0.00 0.12 0.00 0.00 56.93 57.16 3kvn s PHE 360 Cb -0.16 -1.98 -0.07 0.00 -0.57 0.00 0.00 43.02 40.25 3kvn s PHE 360 CO -0.29 0.29 0.61 -0.51 -0.10 0.00 0.00 175.22 175.22 3kvn s ASP 361 N -0.12 6.56 0.49 1.36 1.01 0.39 -1.16 116.67 125.19 3kvn s ASP 361 Ca 0.06 0.93 -0.24 0.00 0.71 0.00 0.00 52.55 54.01 3kvn s ASP 361 Cb -0.12 -2.23 -0.07 0.00 1.01 0.00 0.00 42.92 41.51 3kvn s ASP 361 CO 0.01 -0.18 1.41 -0.94 0.21 0.00 0.00 175.17 175.69 3kvn s SER 362 N -2.75 5.60 0.30 0.27 1.04 -1.26 -4.53 113.70 112.37 3kvn s SER 362 Ca 0.48 2.89 0.00 0.00 0.48 0.00 0.00 55.95 59.80 3kvn s SER 362 Cb -0.11 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3kvn s SER 362 CO 0.25 -1.36 0.00 0.00 0.98 0.00 0.00 173.24 173.12 3kvn n GLN 363 N -0.53 1.28 -0.28 4.02 6.02 0.36 -4.70 117.38 123.55 3kvn n GLN 363 Ca 0.07 -2.16 -0.04 0.00 -0.01 0.00 0.00 57.00 54.86 3kvn n GLN 363 Cb 0.43 0.57 0.07 0.00 1.02 0.00 0.00 30.24 32.33 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 0.71 0.90 -0.34 1.08 3.32 -1.93 -3.22 116.42 116.94 3kvn h ASP 364 Ca -0.25 -0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.51 3kvn h ASP 364 Cb 0.74 -0.23 -0.25 0.00 0.22 0.00 0.00 39.33 39.82 3kvn h ASP 364 CO 0.41 0.67 -0.74 -1.54 -1.72 0.00 0.00 179.24 176.31 3kvn n SER 365 N -4.53 2.89 -3.77 6.45 3.41 -1.26 0.10 113.62 116.91 3kvn n SER 365 Ca 0.08 -3.46 -0.13 0.00 -0.26 0.00 0.00 58.87 55.10 3kvn n SER 365 Cb 0.03 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.43 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 -3.11 -0.52 0.51 7.33 0.00 -1.21 -3.55 121.76 121.20 3kvn s ALA 366 Ca 0.42 0.75 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 3kvn s ALA 366 Cb 0.38 -0.46 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 3kvn s ALA 366 CO -0.03 -0.14 1.07 0.00 0.00 0.00 0.00 175.76 176.66 3kvn s ALA 367 N 0.59 2.81 0.51 0.00 0.00 0.02 -0.49 121.76 125.21 3kvn s ALA 367 Ca -0.04 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 3kvn s ALA 367 Cb -0.05 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 3kvn s ALA 367 CO -0.03 -0.47 1.04 -1.54 0.00 0.00 0.00 175.76 174.76 3kvn s SER 368 N -1.91 6.24 -0.03 0.00 1.04 -1.26 -4.44 113.70 113.34 3kvn s SER 368 Ca 0.69 1.90 -0.29 0.00 0.48 0.00 0.00 55.95 58.73 3kvn s SER 368 Cb -0.19 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.48 3kvn s SER 368 CO 0.22 -0.85 0.92 -0.83 0.98 0.00 0.00 173.24 173.68 3kvn s GLY 369 N -2.16 -0.45 0.13 7.32 0.00 -0.31 -2.07 107.32 109.78 3kvn s GLY 369 Ca 0.66 1.09 -0.24 0.00 0.00 0.00 0.00 44.72 46.23 3kvn s GLY 369 CO 0.23 0.37 0.60 0.51 0.00 0.00 0.00 173.10 174.81 3kvn s ASP 370 N -2.43 -0.56 0.00 1.64 1.47 -0.60 0.47 116.67 116.66 3kvn s ASP 370 Ca 0.05 0.09 0.00 0.00 1.18 0.00 0.00 52.55 53.87 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 -0.91 0.00 0.61 0.68 0.00 0.00 175.17 175.47 3kvn n GLY 371 N -0.17 1.05 3.95 2.12 0.00 -0.52 -0.53 105.19 111.09 3kvn n GLY 371 Ca -0.17 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 6.33 0.26 1.61 0.01 -1.24 -1.13 114.94 120.79 3kvn s ASN 372 Ca 0.00 0.16 -0.13 0.00 -0.71 0.00 0.00 52.86 52.18 3kvn s ASN 372 Cb 0.00 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.76 3kvn s ASN 372 CO 0.00 -0.03 0.51 -0.83 -1.51 0.00 0.00 177.10 175.24 3kvn s GLY 373 N -3.61 0.56 0.23 0.66 0.00 0.46 -2.10 107.32 103.51 3kvn s GLY 373 Ca 0.35 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3kvn s GLY 373 CO 0.29 -0.60 0.13 -2.52 0.00 0.00 0.00 173.10 170.40 3kvn s TYR 374 N -3.85 1.30 0.04 1.90 -0.85 -0.55 -0.73 117.35 114.61 3kvn s TYR 374 Ca 0.22 -1.34 -0.22 0.00 -0.52 0.00 0.00 57.07 55.21 3kvn s TYR 374 Cb -0.01 -0.67 0.05 0.00 0.38 0.00 0.00 41.96 41.71 3kvn s TYR 374 CO 0.10 -0.56 0.52 0.54 -1.52 0.00 0.00 175.55 174.62 3kvn s ASN 375 N -3.22 -0.44 -0.10 -0.18 2.20 0.19 -1.31 114.94 112.09 3kvn s ASN 375 Ca 0.39 0.19 0.03 0.00 -0.94 0.00 0.00 52.86 52.53 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 0.13 -0.71 -0.20 -0.22 -2.94 0.00 0.00 177.10 173.17 3kvn s LEU 376 N -1.92 1.95 -0.02 3.54 2.96 -0.22 -1.97 118.68 123.00 3kvn s LEU 376 Ca -0.06 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3kvn s LEU 376 Cb -0.01 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.43 3kvn s LEU 376 CO -0.01 0.11 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.15 3kvn s THR 377 N 0.55 0.75 0.07 3.68 2.01 0.73 -0.14 115.64 123.30 3kvn s THR 377 Ca -0.15 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 3kvn s THR 377 Cb -0.17 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3kvn s THR 377 CO 0.05 0.23 -0.01 -1.48 -0.69 0.00 0.00 174.62 172.72 3kvn s LEU 378 N 0.09 2.34 0.00 4.42 0.05 -0.26 -0.73 118.68 124.59 3kvn s LEU 378 Ca -0.01 -1.05 -0.26 0.00 0.05 0.00 0.00 54.13 52.86 3kvn s LEU 378 Cb -0.07 0.19 0.09 0.00 -2.05 0.00 0.00 46.19 44.35 3kvn s LEU 378 CO 0.00 -0.62 1.19 0.61 -0.55 0.00 0.00 176.35 176.99 3kvn n GLY 379 N 0.05 0.35 3.62 -3.48 0.00 -0.65 -0.69 105.19 104.39 3kvn n GLY 379 Ca -0.12 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.71 -0.38 0.18 -0.02 0.00 -0.46 -1.26 107.32 101.67 3kvn s GLY 380 Ca 0.28 2.23 0.11 0.00 0.00 0.00 0.00 44.72 47.33 3kvn s GLY 380 CO 0.01 1.68 -0.23 -1.35 0.00 0.00 0.00 173.10 173.21 3kvn s SER 381 N 0.11 3.51 -0.13 1.64 1.04 -0.21 -1.51 113.70 118.16 3kvn s SER 381 Ca 0.00 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.65 3kvn s SER 381 Cb -0.04 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.79 3kvn s SER 381 CO -0.01 0.13 -0.19 -0.47 0.98 0.00 0.00 173.24 173.69 3kvn s TYR 382 N -1.53 2.34 -0.57 5.02 5.04 0.18 -0.96 117.35 126.88 3kvn s TYR 382 Ca 0.20 -1.15 -0.28 0.00 -2.44 0.00 0.00 57.07 53.39 3kvn s TYR 382 Cb -0.09 -1.63 0.03 0.00 0.35 0.00 0.00 41.96 40.62 3kvn s TYR 382 CO 0.10 -0.55 1.20 0.50 -1.34 0.00 0.00 175.55 175.45 3kvn s ARG 383 N 0.90 3.53 0.27 4.97 3.52 -1.26 -1.89 118.95 129.00 3kvn s ARG 383 Ca -0.07 0.30 0.10 0.00 -0.13 0.00 0.00 55.73 55.93 3kvn s ARG 383 Cb -0.15 -4.01 0.34 0.00 -1.56 0.00 0.00 34.95 29.57 3kvn s ARG 383 CO -0.02 -1.66 1.60 0.82 -0.81 0.00 0.00 175.30 175.24 3kvn h ILE 384 N 6.18 1.45 -2.74 4.11 2.04 -1.87 -0.67 117.51 126.01 3kvn h ILE 384 Ca -0.25 -2.16 0.01 0.00 1.00 0.00 0.00 64.86 63.46 3kvn h ILE 384 Cb 1.06 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3kvn h ILE 384 CO 1.18 0.62 0.29 -0.67 0.00 0.00 0.00 178.15 179.57 3kvn n ASP 385 N -3.79 -1.83 -0.10 1.72 2.03 -1.19 -4.66 116.55 108.74 3kvn n ASP 385 Ca -0.01 -2.21 -0.12 0.00 0.52 0.00 0.00 54.79 52.97 3kvn n ASP 385 Cb 0.63 3.04 -0.04 0.00 -0.72 0.00 0.00 41.12 44.02 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 0.59 -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 1.03 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3kvn h GLU 386 CO 0.35 0.81 -0.40 0.00 -1.18 0.00 0.00 179.01 178.59 3kvn n ALA 387 N -2.43 3.28 -2.42 2.92 0.00 -1.26 -4.89 120.51 115.72 3kvn n ALA 387 Ca -0.03 -0.47 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 3kvn n ALA 387 Cb 0.35 -0.50 -0.12 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.90 2.22 -0.19 0.00 0.52 -1.26 -1.24 118.94 117.09 3kvn s TRP 388 Ca 0.10 -0.38 -0.16 0.00 0.02 0.00 0.00 56.10 55.68 3kvn s TRP 388 Cb 0.11 -1.16 0.05 0.00 -1.15 0.00 0.00 33.47 31.32 3kvn s TRP 388 CO 0.42 0.38 0.49 0.50 0.02 0.00 0.00 176.95 178.76 3kvn s ARG 389 N -2.31 0.56 0.10 4.98 3.52 -0.58 -2.62 118.95 122.59 3kvn s ARG 389 Ca 0.16 0.73 0.04 0.00 -0.13 0.00 0.00 55.73 56.53 3kvn s ARG 389 Cb -0.09 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 3kvn s ARG 389 CO 0.07 -0.09 -0.12 0.00 -0.81 0.00 0.00 175.30 174.36 3kvn s ALA 390 N 0.50 1.22 0.28 6.12 0.00 -0.79 0.34 121.76 129.43 3kvn s ALA 390 Ca -0.02 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.60 3kvn s ALA 390 Cb -0.04 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.12 3kvn s ALA 390 CO -0.02 0.03 0.80 0.41 0.00 0.00 0.00 175.76 176.98 3kvn n GLY 391 N 0.67 0.91 3.11 0.00 0.00 -0.62 0.52 105.19 109.78 3kvn n GLY 391 Ca -0.17 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.15 0.19 0.13 1.61 -7.23 -0.57 -1.13 120.40 111.25 3kvn s VAL 392 Ca 0.17 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 3kvn s VAL 392 Cb -0.04 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.57 3kvn s VAL 392 CO 0.08 -0.87 0.29 0.00 -0.31 0.00 0.00 175.10 174.30 3kvn s ALA 393 N -3.61 -0.35 -0.05 1.32 0.00 -0.56 -1.35 121.76 117.15 3kvn s ALA 393 Ca 0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 3kvn s ALA 393 Cb 0.05 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3kvn s ALA 393 CO -0.09 -0.60 0.27 0.00 0.00 0.00 0.00 175.76 175.34 3kvn s ALA 394 N -3.88 -0.68 -0.02 0.00 0.00 0.13 -0.73 121.76 116.57 3kvn s ALA 394 Ca 0.09 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 3kvn s ALA 394 Cb 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3kvn s ALA 394 CO -0.07 -0.20 0.06 0.20 0.00 0.00 0.00 175.76 175.75 3kvn s GLY 395 N -0.70 -0.01 -0.18 0.00 0.00 0.23 -1.10 107.32 105.56 3kvn s GLY 395 Ca -0.08 0.23 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 3kvn s GLY 395 CO 0.02 0.34 -0.04 -0.12 0.00 0.00 0.00 173.10 173.30 3kvn s PHE 396 N 0.38 2.98 -0.08 1.90 5.36 0.81 -0.89 117.98 128.45 3kvn s PHE 396 Ca -0.03 -0.51 0.03 0.00 -0.96 0.00 0.00 56.93 55.46 3kvn s PHE 396 Cb -0.04 -2.00 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 3kvn s PHE 396 CO -0.01 -0.21 -0.15 0.71 -1.46 0.00 0.00 175.22 174.09 3kvn s TYR 397 N 0.74 1.76 -0.21 10.12 2.02 0.36 -1.05 117.35 131.08 3kvn s TYR 397 Ca -0.02 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 55.96 3kvn s TYR 397 Cb -0.15 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3kvn s TYR 397 CO 0.02 -0.32 -0.04 0.50 -1.57 0.00 0.00 175.55 174.14 3kvn s ARG 398 N 0.60 3.42 -0.06 -0.62 6.06 -0.42 -0.19 118.95 127.73 3kvn s ARG 398 Ca -0.15 -0.61 0.02 0.00 -2.50 0.00 0.00 55.73 52.48 3kvn s ARG 398 Cb -0.16 -2.99 0.01 0.00 0.06 0.00 0.00 34.95 31.87 3kvn s ARG 398 CO 0.05 -0.13 -0.11 -1.14 -2.50 0.00 0.00 175.30 171.47 3kvn s GLN 399 N 1.31 1.52 0.18 5.12 2.00 -0.10 -1.49 119.66 128.20 3kvn s GLN 399 Ca 0.04 -0.35 0.09 0.00 -2.00 0.00 0.00 55.36 53.14 3kvn s GLN 399 Cb -0.14 -1.28 -0.04 0.00 0.80 0.00 0.00 33.01 32.34 3kvn s GLN 399 CO -0.02 0.01 -0.08 -1.59 -0.50 0.00 0.00 175.29 173.11 3kvn s LYS 400 N 0.70 2.10 -0.04 1.67 -2.85 -0.89 -0.46 119.74 119.97 3kvn s LYS 400 Ca -0.14 -1.26 -0.02 0.00 -1.00 0.00 0.00 55.97 53.55 3kvn s LYS 400 Cb -0.15 -2.18 0.02 0.00 -2.06 0.00 0.00 37.83 33.46 3kvn s LYS 400 CO 0.03 0.43 0.09 -1.17 0.10 0.00 0.00 175.35 174.83 3kvn s LEU 401 N -2.86 1.19 -0.25 2.77 2.96 0.89 -3.62 118.68 119.76 3kvn s LEU 401 Ca 0.25 0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 3kvn s LEU 401 Cb -0.09 0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.81 3kvn s LEU 401 CO 0.16 -0.10 0.03 -1.61 -1.32 0.00 0.00 176.35 173.51 3kvn s GLU 402 N 0.71 3.35 0.07 1.98 2.02 0.31 -0.86 118.70 126.28 3kvn s GLU 402 Ca -0.06 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.30 3kvn s GLU 402 Cb -0.08 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 3kvn s GLU 402 CO -0.03 -0.28 -0.09 0.00 0.02 0.00 0.00 175.26 174.88 3kvn s ALA 403 N 1.52 0.90 0.00 5.21 0.00 -0.45 -1.56 121.76 127.38 3kvn s ALA 403 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3kvn s ALA 403 Cb -0.15 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3kvn s ALA 403 CO 0.01 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3kvn n GLY 404 N 0.89 -0.69 0.33 0.00 0.00 -0.88 0.05 105.19 104.89 3kvn n GLY 404 Ca -0.19 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.20 4.61 0.00 -1.91 -2.67 119.26 121.33 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 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 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 2.56 -3.45 0.00 4.76 -1.26 -4.97 118.16 111.35 3kvn n LYS 406 Ca 0.05 -2.55 -0.18 0.00 -2.87 0.00 0.00 58.31 52.76 3kvn n LYS 406 Cb 0.38 -1.61 0.07 0.00 -1.84 0.00 0.00 35.03 32.03 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 -0.54 -3.05 -4.52 4.39 8.00 -1.01 -4.85 116.55 114.98 3kvn n ASP 407 Ca 0.17 -0.70 -0.41 0.00 0.71 0.00 0.00 54.79 54.57 3kvn n ASP 407 Cb 0.71 -4.86 0.02 0.00 -0.02 0.00 0.00 41.12 36.97 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 -4.11 -2.24 7.64 0.11 -4.59 113.62 107.19 3kvn n SER 408 Ca -0.23 0.91 -0.33 0.00 1.01 0.00 0.00 58.87 60.22 3kvn n SER 408 Cb 0.66 -1.22 -0.15 0.00 -1.01 0.00 0.00 64.21 62.48 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 -0.95 3.86 -0.09 6.43 2.15 0.56 -1.34 116.67 127.28 3kvn s ASP 409 Ca 0.65 -0.98 0.02 0.00 0.43 0.00 0.00 52.55 52.67 3kvn s ASP 409 Cb -0.54 -1.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.55 3kvn s ASP 409 CO 0.56 -0.10 -0.15 -0.31 -0.17 0.00 0.00 175.17 175.00 3kvn s TYR 410 N 1.22 1.84 -0.00 -5.34 2.02 -0.04 -0.17 117.35 116.88 3kvn s TYR 410 Ca -0.01 -0.79 0.05 0.00 -0.37 0.00 0.00 57.07 55.95 3kvn s TYR 410 Cb -0.16 -1.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3kvn s TYR 410 CO -0.08 -0.39 -0.17 1.03 -1.57 0.00 0.00 175.55 174.36 3kvn s ARG 411 N 0.80 1.35 -0.01 -0.62 0.52 0.16 -0.08 118.95 121.07 3kvn s ARG 411 Ca -0.11 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 3kvn s ARG 411 Cb -0.16 -1.33 0.01 0.00 0.52 0.00 0.00 34.95 34.00 3kvn s ARG 411 CO 0.02 0.36 0.01 1.41 0.02 0.00 0.00 175.30 177.12 3kvn s MET 412 N -0.54 -0.01 -0.23 3.54 -2.45 0.39 -2.84 119.30 117.15 3kvn s MET 412 Ca 0.06 0.07 -0.07 0.00 -1.25 0.00 0.00 55.69 54.51 3kvn s MET 412 Cb -0.07 -0.10 -0.03 0.00 1.25 0.00 0.00 34.83 35.88 3kvn s MET 412 CO -0.00 -0.07 0.06 -0.80 1.05 0.00 0.00 175.02 175.26 3kvn s ASN 413 N 0.42 5.15 -0.17 1.11 0.01 0.58 -0.93 114.94 121.12 3kvn s ASN 413 Ca -0.04 -0.16 -0.00 0.00 -0.71 0.00 0.00 52.86 51.95 3kvn s ASN 413 Cb -0.05 -1.91 -0.00 0.00 0.41 0.00 0.00 41.25 39.70 3kvn s ASN 413 CO -0.01 0.01 -0.14 -0.55 -1.51 0.00 0.00 177.10 174.91 3kvn s SER 414 N 1.32 3.74 -0.35 -1.22 0.15 0.74 -0.52 113.70 117.56 3kvn s SER 414 Ca 0.05 -0.46 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 3kvn s SER 414 Cb -0.15 -1.59 0.05 0.00 -1.71 0.00 0.00 66.02 62.63 3kvn s SER 414 CO 0.03 0.06 0.13 -0.31 1.20 0.00 0.00 173.24 174.35 3kvn s TYR 415 N 0.95 3.29 0.16 3.44 2.02 -0.23 -0.49 117.35 126.49 3kvn s TYR 415 Ca -0.02 -1.53 0.09 0.00 -0.37 0.00 0.00 57.07 55.23 3kvn s TYR 415 Cb -0.15 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 3kvn s TYR 415 CO -0.02 -0.77 -0.13 -1.64 -1.57 0.00 0.00 175.55 171.42 3kvn s MET 416 N 1.38 1.93 0.06 -0.62 -1.94 -0.07 -0.96 119.30 119.08 3kvn s MET 416 Ca -0.00 -1.26 -0.06 0.00 -1.71 0.00 0.00 55.69 52.66 3kvn s MET 416 Cb -0.20 -2.12 -0.01 0.00 2.01 0.00 0.00 34.83 34.50 3kvn s MET 416 CO 0.02 0.45 0.12 0.00 -0.01 0.00 0.00 175.02 175.60 3kvn s ALA 417 N -1.52 -0.07 0.08 3.03 0.00 -0.30 -0.60 121.76 122.37 3kvn s ALA 417 Ca 0.22 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 3kvn s ALA 417 Cb -0.09 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.37 3kvn s ALA 417 CO 0.13 -0.39 0.26 -1.54 0.00 0.00 0.00 175.76 174.22 3kvn s SER 418 N -2.47 -0.03 -0.04 0.00 1.04 0.09 -0.81 113.70 111.47 3kvn s SER 418 Ca -0.00 -0.43 0.07 0.00 0.48 0.00 0.00 55.95 56.07 3kvn s SER 418 Cb 0.02 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3kvn s SER 418 CO -0.07 -0.71 -0.25 0.00 0.98 0.00 0.00 173.24 173.19 3kvn s ALA 419 N -3.36 2.20 0.06 5.32 0.00 -0.34 -1.50 121.76 124.15 3kvn s ALA 419 Ca 0.01 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3kvn s ALA 419 Cb 0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3kvn s ALA 419 CO -0.08 0.48 -0.04 -0.59 0.00 0.00 0.00 175.76 175.53 3kvn s PHE 420 N -0.40 0.61 0.04 0.00 -0.12 -0.28 -0.63 117.98 117.20 3kvn s PHE 420 Ca 0.03 -1.04 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 0.01 -0.34 -0.08 0.54 -0.05 0.00 0.00 175.22 175.31 3kvn s VAL 421 N -3.86 0.58 0.02 -2.49 0.11 0.33 -1.59 120.40 113.51 3kvn s VAL 421 Ca 0.08 -0.93 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 3kvn s VAL 421 Cb 0.07 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 3kvn s VAL 421 CO -0.09 -0.26 -0.06 -1.10 -3.33 0.00 0.00 175.10 170.27 3kvn s GLN 422 N -1.30 0.41 -0.04 1.54 -0.21 0.15 -1.77 119.66 118.45 3kvn s GLN 422 Ca -0.07 -0.52 0.02 0.00 0.02 0.00 0.00 55.36 54.80 3kvn s GLN 422 Cb -0.08 -0.22 0.01 0.00 1.00 0.00 0.00 33.01 33.72 3kvn s GLN 422 CO 0.00 0.04 -0.06 -0.47 -2.12 0.00 0.00 175.29 172.68 3kvn s TYR 423 N -0.97 0.82 -0.15 0.91 5.04 -0.53 -1.53 117.35 120.94 3kvn s TYR 423 Ca -0.07 -0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.28 3kvn s TYR 423 Cb -0.07 -0.66 0.07 0.00 0.35 0.00 0.00 41.96 41.65 3kvn s TYR 423 CO -0.00 -0.16 0.31 1.14 -1.34 0.00 0.00 175.55 175.50 3kvn s GLN 424 N 0.61 0.20 -0.21 4.97 -2.07 -0.38 -0.73 119.66 122.06 3kvn s GLN 424 Ca -0.09 0.80 -0.11 0.00 -1.82 0.00 0.00 55.36 54.14 3kvn s GLN 424 Cb -0.12 0.02 0.07 0.00 -1.09 0.00 0.00 33.01 31.88 3kvn s GLN 424 CO 0.01 -0.30 0.51 -2.00 -1.32 0.00 0.00 175.29 172.18 3kvn s GLU 425 N 2.47 0.50 -1.40 9.60 2.12 -0.17 -4.43 118.70 127.40 3kvn s GLU 425 Ca 0.01 0.95 -0.07 0.00 0.36 0.00 0.00 54.97 56.22 3kvn s GLU 425 Cb -0.12 0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.35 3kvn s GLU 425 CO -0.10 -0.16 0.91 -1.71 -0.54 0.00 0.00 175.26 173.66 3kvn n ASN 426 N 4.32 -3.48 0.00 -1.70 5.15 -1.26 -1.12 115.26 117.17 3kvn n ASN 426 Ca -0.22 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 3kvn n ASN 426 Cb 0.56 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.60 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 -4.54 0.00 -3.53 1.20 1.74 -1.26 -4.97 116.66 105.29 3kvn n ARG 427 Ca -0.11 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.61 3kvn n ARG 427 Cb 0.60 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 -3.16 3.64 0.01 -1.55 0.52 -0.27 0.23 118.94 118.36 3kvn s TRP 428 Ca 0.00 0.89 -0.15 0.00 0.02 0.00 0.00 56.10 56.86 3kvn s TRP 428 Cb 0.00 -2.22 0.02 0.00 -1.15 0.00 0.00 33.47 30.12 3kvn s TRP 428 CO 0.00 0.56 0.32 1.67 0.02 0.00 0.00 176.95 179.52 3kvn s TRP 429 N -1.28 -0.16 -0.16 -1.98 1.48 -0.65 -0.99 118.94 115.20 3kvn s TRP 429 Ca 0.30 0.17 -0.21 0.00 -1.06 0.00 0.00 56.10 55.30 3kvn s TRP 429 Cb -0.15 0.10 0.05 0.00 -1.16 0.00 0.00 33.47 32.32 3kvn s TRP 429 CO 0.16 -0.44 0.54 0.00 -4.06 0.00 0.00 176.95 173.15 3kvn s ALA 430 N -1.82 -1.35 0.08 2.67 0.00 0.09 -1.08 121.76 120.35 3kvn s ALA 430 Ca -0.10 1.36 0.09 0.00 0.00 0.00 0.00 51.96 53.30 3kvn s ALA 430 Cb -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3kvn s ALA 430 CO 0.01 -0.28 -0.23 -0.51 0.00 0.00 0.00 175.76 174.75 3kvn s ASP 431 N -0.16 2.82 -0.15 0.00 1.01 -0.09 -1.45 116.67 118.65 3kvn s ASP 431 Ca -0.04 -0.64 -0.08 0.00 0.71 0.00 0.00 52.55 52.50 3kvn s ASP 431 Cb -0.03 -0.20 0.05 0.00 1.01 0.00 0.00 42.92 43.75 3kvn s ASP 431 CO 0.03 0.15 0.36 0.00 0.21 0.00 0.00 175.17 175.92 3kvn s ALA 432 N -0.97 -0.90 -0.07 5.23 0.00 -0.73 -1.87 121.76 122.45 3kvn s ALA 432 Ca 0.09 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 3kvn s ALA 432 Cb -0.10 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.23 3kvn s ALA 432 CO 0.04 -0.24 0.15 0.00 0.00 0.00 0.00 175.76 175.70 3kvn s ALA 433 N 1.30 -0.24 -0.22 0.00 0.00 0.55 -0.51 121.76 122.63 3kvn s ALA 433 Ca -0.09 0.66 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 3kvn s ALA 433 Cb -0.09 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 3kvn s ALA 433 CO -0.11 -0.22 0.03 -1.17 0.00 0.00 0.00 175.76 174.29 3kvn s LEU 434 N 1.36 3.34 -0.02 0.00 2.96 0.20 -1.05 118.68 125.46 3kvn s LEU 434 Ca -0.07 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 3kvn s LEU 434 Cb -0.12 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3kvn s LEU 434 CO -0.06 0.02 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.87 3kvn s THR 435 N 1.28 1.83 0.24 3.68 2.01 0.97 -1.19 115.64 124.45 3kvn s THR 435 Ca 0.04 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.13 3kvn s THR 435 Cb -0.15 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 3kvn s THR 435 CO 0.02 0.52 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.53 3kvn s GLY 436 N -0.51 1.59 -0.13 4.40 0.00 0.01 -0.19 107.32 112.49 3kvn s GLY 436 Ca 0.08 -1.76 -0.28 0.00 0.00 0.00 0.00 44.72 42.76 3kvn s GLY 436 CO -0.01 -1.79 0.67 -0.32 0.00 0.00 0.00 173.10 171.66 3kvn s GLY 437 N -3.37 -0.54 -0.06 0.20 0.00 0.08 -1.15 107.32 102.47 3kvn s GLY 437 Ca 0.26 1.54 0.02 0.00 0.00 0.00 0.00 44.72 46.54 3kvn s GLY 437 CO 0.09 1.22 -0.10 -0.47 0.00 0.00 0.00 173.10 173.85 3kvn s TYR 438 N -0.58 2.85 -0.16 1.90 5.04 -0.14 -1.12 117.35 125.14 3kvn s TYR 438 Ca -0.07 -0.05 0.01 0.00 -2.44 0.00 0.00 57.07 54.53 3kvn s TYR 438 Cb -0.02 -1.68 0.01 0.00 0.35 0.00 0.00 41.96 40.62 3kvn s TYR 438 CO 0.06 0.28 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.86 3kvn s LEU 439 N -0.80 2.27 -0.40 6.97 1.43 0.72 -1.07 118.68 127.80 3kvn s LEU 439 Ca 0.12 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3kvn s LEU 439 Cb -0.11 -1.51 0.10 0.00 0.03 0.00 0.00 46.19 44.70 3kvn s LEU 439 CO 0.01 0.05 0.21 -0.62 0.23 0.00 0.00 176.35 176.22 3kvn s ASP 440 N 1.03 5.34 -1.11 2.29 2.15 0.32 -0.87 116.67 125.83 3kvn s ASP 440 Ca -0.01 -1.80 -0.18 0.00 0.43 0.00 0.00 52.55 50.99 3kvn s ASP 440 Cb -0.15 -1.87 0.12 0.00 -0.30 0.00 0.00 42.92 40.73 3kvn s ASP 440 CO -0.05 -0.52 1.40 -0.31 -0.17 0.00 0.00 175.17 175.51 3kvn s TYR 441 N 1.24 3.09 -0.48 -5.34 2.02 0.17 -0.31 117.35 117.75 3kvn s TYR 441 Ca 0.05 -1.60 0.24 0.00 -0.37 0.00 0.00 57.07 55.38 3kvn s TYR 441 Cb -0.23 -4.45 0.42 0.00 -0.40 0.00 0.00 41.96 37.30 3kvn s TYR 441 CO -0.02 -1.59 1.64 0.38 -1.57 0.00 0.00 175.55 174.39 3kvn h ASP 442 N 8.18 0.00 -2.44 2.29 -0.00 -1.75 -0.66 116.42 122.05 3kvn h ASP 442 Ca 0.27 0.00 -0.33 0.00 -0.00 0.00 0.00 57.03 56.97 3kvn h ASP 442 Cb 0.94 0.00 -0.35 0.00 -0.00 0.00 0.00 39.33 39.92 3kvn h ASP 442 CO 1.27 0.00 -0.63 -0.62 -0.00 0.00 0.00 179.24 179.26 3kvn s ASP 443 N -5.94 1.54 -0.39 4.15 2.15 -1.23 -4.78 116.67 112.16 3kvn s ASP 443 Ca 0.08 -0.39 0.04 0.00 0.43 0.00 0.00 52.55 52.70 3kvn s ASP 443 Cb 0.06 0.39 0.11 0.00 -0.30 0.00 0.00 42.92 43.18 3kvn s ASP 443 CO 0.66 -0.35 0.12 -0.76 -0.17 0.00 0.00 175.17 174.67 3kvn s LEU 444 N 2.33 4.50 -0.41 -1.34 1.02 -0.21 -0.67 118.68 123.90 3kvn s LEU 444 Ca 0.08 -2.40 -0.02 0.00 0.02 0.00 0.00 54.13 51.80 3kvn s LEU 444 Cb -0.15 -1.59 0.11 0.00 0.02 0.00 0.00 46.19 44.57 3kvn s LEU 444 CO -0.18 -0.34 0.20 -0.75 0.02 0.00 0.00 176.35 175.30 3kvn s LYS 445 N 0.56 1.98 -0.20 1.70 2.20 0.76 -0.86 119.74 125.89 3kvn s LYS 445 Ca 0.13 -1.84 -0.21 0.00 -0.36 0.00 0.00 55.97 53.69 3kvn s LYS 445 Cb -0.21 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 3kvn s LYS 445 CO -0.06 -1.07 0.63 0.50 -0.36 0.00 0.00 175.35 174.99 3kvn s ARG 446 N 1.10 4.21 0.06 4.03 3.52 0.49 -0.32 118.95 132.03 3kvn s ARG 446 Ca 0.09 0.61 0.09 0.00 -0.13 0.00 0.00 55.73 56.38 3kvn s ARG 446 Cb -0.22 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 3kvn s ARG 446 CO -0.04 -0.24 -0.24 0.15 -0.81 0.00 0.00 175.30 174.11 3kvn s LYS 447 N 1.92 1.79 0.11 5.12 1.02 -1.26 -0.33 119.74 128.11 3kvn s LYS 447 Ca 0.28 -1.13 -0.18 0.00 0.02 0.00 0.00 55.97 54.96 3kvn s LYS 447 Cb -0.16 -2.02 0.04 0.00 -0.52 0.00 0.00 37.83 35.17 3kvn s LYS 447 CO 0.10 0.51 0.45 -0.59 -0.92 0.00 0.00 175.35 174.90 3kvn s PHE 448 N -0.90 -0.29 0.26 3.18 -0.12 -0.65 -4.42 117.98 115.04 3kvn s PHE 448 Ca 0.13 0.07 -0.29 0.00 -0.05 0.00 0.00 56.93 56.79 3kvn s PHE 448 Cb -0.10 0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 42.51 3kvn s PHE 448 CO 0.04 -0.70 1.18 0.00 -0.05 0.00 0.00 175.22 175.69 3kvn s ALA 449 N -3.45 3.44 -0.28 1.99 0.00 -1.26 -1.26 121.76 120.94 3kvn s ALA 449 Ca 0.00 1.00 -0.25 0.00 0.00 0.00 0.00 51.96 52.71 3kvn s ALA 449 Cb 0.01 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.84 3kvn s ALA 449 CO -0.10 -0.34 0.93 -1.17 0.00 0.00 0.00 175.76 175.08 3kvn s LEU 450 N -1.08 -0.55 -1.49 0.00 2.96 -0.85 -4.76 118.68 112.90 3kvn s LEU 450 Ca 0.48 1.07 -0.01 0.00 -0.22 0.00 0.00 54.13 55.45 3kvn s LEU 450 Cb -0.34 2.08 0.01 0.00 0.50 0.00 0.00 46.19 48.44 3kvn s LEU 450 CO 0.42 -0.18 0.14 0.61 -1.32 0.00 0.00 176.35 176.01 3kvn n GLY 451 N 2.38 -0.50 3.46 7.98 0.00 -1.26 -0.40 105.19 116.84 3kvn n GLY 451 Ca -0.13 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.05 1.42 0.00 -0.02 0.00 -1.26 -3.32 105.19 100.95 3kvn n GLY 452 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 3.12 3.16 -0.02 0.00 0.47 -5.09 105.19 104.83 3kvn n GLY 453 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 4.40 0.63 0.18 1.61 -1.05 -1.20 -2.01 118.70 121.25 3kvn s GLU 454 Ca 0.00 -0.55 0.11 0.00 -0.15 0.00 0.00 54.97 54.38 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 -0.24 0.50 0.95 0.00 0.00 175.26 176.30 3kvn s ARG 455 N -2.16 1.48 0.05 -4.83 3.52 -0.39 -4.81 118.95 111.80 3kvn s ARG 455 Ca -0.08 -1.48 0.06 0.00 -0.13 0.00 0.00 55.73 54.10 3kvn s ARG 455 Cb -0.03 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.51 3kvn s ARG 455 CO -0.02 0.40 -0.18 -1.54 -0.81 0.00 0.00 175.30 173.16 3kvn s SER 456 N -2.54 2.09 0.04 -2.12 1.04 -1.26 -1.63 113.70 109.32 3kvn s SER 456 Ca 0.19 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.18 3kvn s SER 456 Cb -0.08 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 3kvn s SER 456 CO 0.09 0.08 -0.23 -1.61 0.98 0.00 0.00 173.24 172.55 3kvn s GLU 457 N -1.29 1.58 0.07 4.02 0.41 0.55 -4.96 118.70 119.07 3kvn s GLU 457 Ca 0.04 -0.99 0.07 0.00 -0.41 0.00 0.00 54.97 53.68 3kvn s GLU 457 Cb -0.09 -1.70 -0.03 0.00 -1.78 0.00 0.00 34.13 30.54 3kvn s GLU 457 CO 0.02 0.44 -0.18 0.15 -0.49 0.00 0.00 175.26 175.20 3kvn s LYS 458 N -1.14 1.05 0.24 1.61 1.02 -1.26 -0.38 119.74 120.88 3kvn s LYS 458 Ca 0.09 -1.00 -0.14 0.00 0.02 0.00 0.00 55.97 54.95 3kvn s LYS 458 Cb -0.09 -1.18 0.05 0.00 -0.52 0.00 0.00 37.83 36.09 3kvn s LYS 458 CO 0.02 0.28 0.69 0.41 -0.92 0.00 0.00 175.35 175.83 3kvn n GLY 459 N 1.41 1.03 3.42 -3.33 0.00 -0.03 -0.43 105.19 107.25 3kvn n GLY 459 Ca -0.19 -1.16 -0.15 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 -2.73 -0.49 0.30 1.61 -4.77 -1.26 -1.04 116.67 108.28 3kvn s ASP 460 Ca 0.15 0.30 -0.05 0.00 -3.30 0.00 0.00 52.55 49.65 3kvn s ASP 460 Cb -0.03 0.50 0.02 0.00 -1.09 0.00 0.00 42.92 42.32 3kvn s ASP 460 CO 0.07 -0.69 0.47 1.07 0.70 0.00 0.00 175.17 176.80 3kvn n THR 461 N 0.55 0.00 -4.31 2.11 5.66 -0.25 -4.87 114.28 113.17 3kvn n THR 461 Ca -0.19 -1.26 -0.16 0.00 -3.05 0.00 0.00 64.05 59.39 3kvn n THR 461 Cb 0.59 0.87 -0.10 0.00 -1.55 0.00 0.00 70.33 70.14 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 -2.74 1.77 0.19 1.09 0.01 -1.26 -0.65 114.94 113.34 3kvn s ASN 462 Ca 0.20 -1.19 -0.12 0.00 -0.71 0.00 0.00 52.86 51.05 3kvn s ASN 462 Cb -0.02 0.02 0.04 0.00 0.41 0.00 0.00 41.25 41.70 3kvn s ASN 462 CO 0.15 -0.49 0.60 0.61 -1.51 0.00 0.00 177.10 176.46 3kvn n GLY 463 N -0.37 1.08 3.54 0.66 0.00 -0.05 0.79 105.19 110.84 3kvn n GLY 463 Ca -0.06 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.97 -0.33 0.04 1.61 -3.43 -0.13 -0.20 115.29 108.88 3kvn s HIS 464 Ca 0.13 0.03 -0.10 0.00 -0.80 0.00 0.00 55.06 54.32 3kvn s HIS 464 Cb -0.03 0.53 0.01 0.00 -1.43 0.00 0.00 32.58 31.66 3kvn s HIS 464 CO 0.06 -0.94 0.21 -0.48 -2.00 0.00 0.00 174.74 171.58 3kvn s LEU 465 N -2.82 1.30 0.02 5.38 0.05 -0.28 -1.02 118.68 121.31 3kvn s LEU 465 Ca 0.05 -0.35 -0.00 0.00 0.05 0.00 0.00 54.13 53.88 3kvn s LEU 465 Cb -0.02 1.01 -0.02 0.00 -2.05 0.00 0.00 46.19 45.11 3kvn s LEU 465 CO -0.06 -0.57 -0.02 -1.66 -0.55 0.00 0.00 176.35 173.49 3kvn s TRP 466 N -2.60 0.22 -0.02 3.48 1.48 -0.92 -0.74 118.94 119.84 3kvn s TRP 466 Ca -0.05 -0.46 -0.09 0.00 -1.06 0.00 0.00 56.10 54.45 3kvn s TRP 466 Cb -0.01 -0.17 0.01 0.00 -1.16 0.00 0.00 33.47 32.15 3kvn s TRP 466 CO -0.04 -0.17 0.18 0.00 -4.06 0.00 0.00 176.95 172.86 3kvn s ALA 467 N -1.30 -0.45 -0.05 2.67 0.00 0.73 -1.34 121.76 122.02 3kvn s ALA 467 Ca -0.14 0.12 0.05 0.00 0.00 0.00 0.00 51.96 51.99 3kvn s ALA 467 Cb -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kvn s ALA 467 CO -0.01 -0.19 -0.21 0.12 0.00 0.00 0.00 175.76 175.47 3kvn s PHE 468 N -1.01 2.05 -0.00 0.00 5.36 -0.19 -0.02 117.98 124.16 3kvn s PHE 468 Ca -0.11 -0.59 0.04 0.00 -0.96 0.00 0.00 56.93 55.31 3kvn s PHE 468 Cb -0.06 -1.36 -0.01 0.00 -0.34 0.00 0.00 43.02 41.26 3kvn s PHE 468 CO 0.02 -0.18 -0.12 -1.54 -1.46 0.00 0.00 175.22 171.94 3kvn s SER 469 N -0.08 1.35 0.04 6.13 1.04 -0.22 -1.08 113.70 120.88 3kvn s SER 469 Ca -0.03 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 3kvn s SER 469 Cb -0.12 -0.14 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 3kvn s SER 469 CO 0.03 0.12 0.14 0.00 0.98 0.00 0.00 173.24 174.51 3kvn s ALA 470 N -0.34 -0.21 0.16 5.32 0.00 -0.36 -0.33 121.76 126.00 3kvn s ALA 470 Ca 0.04 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 3kvn s ALA 470 Cb -0.05 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.41 3kvn s ALA 470 CO -0.00 -0.35 0.67 -0.98 0.00 0.00 0.00 175.76 175.10 3kvn s ARG 471 N -2.64 1.31 -0.12 0.00 1.70 -0.78 -0.66 118.95 117.76 3kvn s ARG 471 Ca -0.05 -0.54 -0.12 0.00 -0.47 0.00 0.00 55.73 54.55 3kvn s ARG 471 Cb -0.01 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.97 3kvn s ARG 471 CO -0.04 -0.58 0.34 -1.17 -1.08 0.00 0.00 175.30 172.77 3kvn s LEU 472 N -2.75 0.70 0.21 -1.89 0.20 -0.10 -0.91 118.68 114.14 3kvn s LEU 472 Ca 0.04 0.64 -0.14 0.00 0.69 0.00 0.00 54.13 55.35 3kvn s LEU 472 Cb -0.02 1.19 0.01 0.00 -0.43 0.00 0.00 46.19 46.94 3kvn s LEU 472 CO -0.09 -0.15 0.47 -0.83 -0.29 0.00 0.00 176.35 175.46 3kvn s GLY 473 N 0.04 0.26 -0.08 7.98 0.00 -0.24 -1.14 107.32 114.14 3kvn s GLY 473 Ca -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 3kvn s GLY 473 CO 0.01 -0.50 -0.03 -0.47 0.00 0.00 0.00 173.10 172.11 3kvn s TYR 474 N -3.95 0.89 0.08 1.90 5.04 -1.17 -1.64 117.35 118.50 3kvn s TYR 474 Ca 0.16 -0.32 -0.31 0.00 -2.44 0.00 0.00 57.07 54.16 3kvn s TYR 474 Cb -0.00 -0.89 -0.07 0.00 0.35 0.00 0.00 41.96 41.34 3kvn s TYR 474 CO 0.03 -0.36 1.35 0.34 -1.34 0.00 0.00 175.55 175.57 3kvn s ASP 475 N 1.75 6.89 0.35 4.32 -1.08 0.13 -4.04 116.67 125.00 3kvn s ASP 475 Ca 0.03 2.21 0.18 0.00 -0.52 0.00 0.00 52.55 54.45 3kvn s ASP 475 Cb -0.13 -2.58 0.53 0.00 -1.46 0.00 0.00 42.92 39.28 3kvn s ASP 475 CO -0.05 -0.62 1.66 0.40 0.52 0.00 0.00 175.17 177.08 3kvn h ILE 476 N 4.44 0.85 -3.06 4.11 2.04 0.24 -3.42 117.51 122.71 3kvn h ILE 476 Ca -0.41 -1.69 -0.54 0.00 1.00 0.00 0.00 64.86 63.22 3kvn h ILE 476 Cb 1.20 2.06 0.01 0.00 -0.74 0.00 0.00 36.82 39.35 3kvn h ILE 476 CO 0.86 0.39 0.69 0.00 0.00 0.00 0.00 178.15 180.09 3kvn s ALA 477 N -3.42 3.50 -1.62 1.87 0.00 -1.26 -4.90 121.76 115.93 3kvn s ALA 477 Ca 0.01 0.91 0.27 0.00 0.00 0.00 0.00 51.96 53.16 3kvn s ALA 477 Cb 0.10 -3.51 1.46 0.00 0.00 0.00 0.00 23.12 21.16 3kvn s ALA 477 CO 0.70 -0.63 1.94 1.04 0.00 0.00 0.00 175.76 178.81 3kvn n GLN 478 N 4.40 0.55 -3.92 0.00 6.02 -1.26 -4.77 117.38 118.39 3kvn n GLN 478 Ca 0.11 0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.82 3kvn n GLN 478 Cb 0.44 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.05 3kvn n GLN 478 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3kvn s GLN 479 N -2.38 1.36 0.06 -1.09 -2.07 -1.26 -4.99 119.66 109.29 3kvn s GLN 479 Ca 0.31 -1.34 0.10 0.00 -1.82 0.00 0.00 55.36 52.61 3kvn s GLN 479 Cb 0.18 -2.67 0.45 0.00 -1.09 0.00 0.00 33.01 29.88 3kvn s GLN 479 CO 0.38 -0.82 1.31 0.00 -1.32 0.00 0.00 175.29 174.84 3kvn n ALA 480 N 4.56 1.30 -0.36 2.60 0.00 -1.26 -0.34 120.51 127.02 3kvn n ALA 480 Ca -0.04 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3kvn n ALA 480 Cb 0.43 -1.16 0.18 0.00 0.00 0.00 0.00 19.45 18.90 3kvn n ALA 480 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kvn n ASP 481 N -1.66 3.15 -4.67 0.00 3.85 -1.26 -4.99 116.55 110.97 3kvn n ASP 481 Ca 0.01 -2.23 -0.41 0.00 -0.71 0.00 0.00 54.79 51.46 3kvn n ASP 481 Cb 0.09 -0.30 0.02 0.00 -1.35 0.00 0.00 41.12 39.57 3kvn n ASP 481 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 3kvn n SER 482 N 0.29 1.99 0.22 -1.12 2.88 0.54 -4.90 113.62 113.53 3kvn n SER 482 Ca 0.14 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.83 3kvn n SER 482 Cb 0.53 -1.45 0.42 0.00 -0.75 0.00 0.00 64.21 62.96 3kvn n SER 482 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kvn h PRO 483 N 1.70 0.00 -6.22 -1.46 0.11 -1.90 -3.44 132.00 120.79 3kvn h PRO 483 Ca -0.47 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 3kvn h PRO 483 Cb 1.32 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.20 3kvn h PRO 483 CO 0.58 0.19 -0.83 1.67 -0.21 0.00 0.00 178.00 179.40 3kvn s TRP 484 N -3.53 1.85 0.02 0.65 1.48 -1.26 0.13 118.94 118.28 3kvn s TRP 484 Ca 0.02 -0.40 0.03 0.00 -1.06 0.00 0.00 56.10 54.68 3kvn s TRP 484 Cb 0.09 -1.03 -0.02 0.00 -1.16 0.00 0.00 33.47 31.35 3kvn s TRP 484 CO 0.64 0.19 -0.09 -1.01 -4.06 0.00 0.00 176.95 172.62 3kvn s HIS 485 N -1.07 0.76 -0.09 1.66 3.76 -0.46 -4.78 115.29 115.06 3kvn s HIS 485 Ca 0.07 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.65 3kvn s HIS 485 Cb -0.10 -0.46 0.05 0.00 1.11 0.00 0.00 32.58 33.18 3kvn s HIS 485 CO 0.04 -0.02 0.19 -1.17 -0.85 0.00 0.00 174.74 172.92 3kvn s LEU 486 N -0.88 0.06 -0.12 0.89 2.96 -1.26 -0.87 118.68 119.46 3kvn s LEU 486 Ca -0.02 0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3kvn s LEU 486 Cb -0.06 0.42 0.06 0.00 0.50 0.00 0.00 46.19 47.11 3kvn s LEU 486 CO 0.00 -0.22 0.20 -0.55 -1.32 0.00 0.00 176.35 174.46 3kvn s SER 487 N 2.03 0.73 0.49 3.68 0.15 0.12 0.95 113.70 121.85 3kvn s SER 487 Ca -0.01 0.33 -0.21 0.00 0.70 0.00 0.00 55.95 56.76 3kvn s SER 487 Cb -0.12 0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 64.53 3kvn s SER 487 CO -0.07 -0.26 1.10 -2.84 1.20 0.00 0.00 173.24 172.38 3kvn s PRO 488 N 2.34 3.69 0.13 5.44 0.02 -1.26 -0.97 135.00 144.40 3kvn s PRO 488 Ca 0.03 1.56 -0.12 0.00 0.02 0.00 0.00 61.00 62.49 3kvn s PRO 488 Cb -0.13 -2.20 0.01 0.00 0.02 0.00 0.00 34.50 32.21 3kvn s PRO 488 CO -0.07 -0.56 0.32 -0.59 -0.33 0.00 0.00 177.00 175.77 3kvn s PHE 489 N -1.77 0.07 0.03 6.54 -0.12 0.35 -3.02 117.98 120.08 3kvn s PHE 489 Ca 0.67 -0.44 0.09 0.00 -0.05 0.00 0.00 56.93 57.20 3kvn s PHE 489 Cb -0.22 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.24 3kvn s PHE 489 CO 0.27 -0.69 -0.25 0.14 -0.05 0.00 0.00 175.22 174.63 3kvn s VAL 490 N -3.87 2.20 0.18 -2.49 -7.23 -0.29 -0.85 120.40 108.04 3kvn s VAL 490 Ca 0.08 -1.32 0.09 0.00 -1.81 0.00 0.00 61.98 59.02 3kvn s VAL 490 Cb 0.03 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 3kvn s VAL 490 CO -0.07 0.40 -0.19 -0.94 -0.31 0.00 0.00 175.10 173.99 3kvn s SER 491 N -1.16 2.80 -0.00 4.85 1.04 0.50 -0.93 113.70 120.80 3kvn s SER 491 Ca 0.12 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.68 3kvn s SER 491 Cb -0.10 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 3kvn s SER 491 CO 0.02 -0.02 -0.05 0.00 0.98 0.00 0.00 173.24 174.17 3kvn s ALA 492 N -2.08 0.41 -0.05 5.32 0.00 0.16 -0.74 121.76 124.78 3kvn s ALA 492 Ca 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 3kvn s ALA 492 Cb -0.06 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3kvn s ALA 492 CO 0.07 0.09 0.10 -0.51 0.00 0.00 0.00 175.76 175.51 3kvn s ASP 493 N -0.21 -0.04 0.02 0.00 1.11 -0.19 -1.23 116.67 116.13 3kvn s ASP 493 Ca 0.01 0.19 0.08 0.00 0.18 0.00 0.00 52.55 53.01 3kvn s ASP 493 Cb -0.02 0.09 -0.02 0.00 1.07 0.00 0.00 42.92 44.03 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 1.09 2.05 -0.23 4.23 5.04 -0.24 -1.41 117.35 127.89 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 -1.26 0.10 0.00 0.35 0.00 0.00 41.96 41.04 3kvn s TYR 494 CO -0.05 0.06 0.49 0.00 -1.34 0.00 0.00 175.55 174.71 3kvn s ALA 495 N -0.71 -1.41 -0.25 3.97 0.00 -0.75 -1.02 121.76 121.58 3kvn s ALA 495 Ca 0.09 1.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.76 3kvn s ALA 495 Cb -0.09 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.58 3kvn s ALA 495 CO 0.01 -0.80 -0.00 0.50 0.00 0.00 0.00 175.76 175.47 3kvn s ARG 496 N 2.67 3.15 -0.16 0.00 3.52 -0.45 -0.06 118.95 127.62 3kvn s ARG 496 Ca -0.03 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 54.72 3kvn s ARG 496 Cb -0.12 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 3kvn s ARG 496 CO -0.15 -0.33 0.04 0.08 -0.81 0.00 0.00 175.30 174.13 3kvn s VAL 497 N 1.45 4.57 -0.09 7.11 1.01 -0.65 -2.17 120.40 131.64 3kvn s VAL 497 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3kvn s VAL 497 Cb -0.16 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3kvn s VAL 497 CO -0.01 0.49 -0.07 -1.83 0.00 0.00 0.00 175.10 173.67 3kvn s GLU 498 N 0.18 1.35 -0.17 2.72 4.04 -0.19 -0.68 118.70 125.95 3kvn s GLU 498 Ca 0.03 -0.22 -0.02 0.00 0.04 0.00 0.00 54.97 54.80 3kvn s GLU 498 Cb -0.13 -1.36 -0.01 0.00 0.02 0.00 0.00 34.13 32.65 3kvn s GLU 498 CO 0.01 -0.17 -0.09 0.54 -1.84 0.00 0.00 175.26 173.70 3kvn s VAL 499 N 1.38 3.21 0.48 1.83 0.11 0.84 -0.96 120.40 127.29 3kvn s VAL 499 Ca -0.02 -0.58 -0.24 0.00 -2.93 0.00 0.00 61.98 58.21 3kvn s VAL 499 Cb -0.14 -2.40 -0.07 0.00 -1.53 0.00 0.00 36.38 32.24 3kvn s VAL 499 CO -0.04 0.48 1.38 0.47 -3.33 0.00 0.00 175.10 174.07 3kvn n ASP 500 N 4.07 2.99 -4.62 3.54 8.00 0.24 -0.22 116.55 130.54 3kvn n ASP 500 Ca -0.18 1.07 -0.30 0.00 0.71 0.00 0.00 54.79 56.08 3kvn n ASP 500 Cb 0.52 -1.58 0.19 0.00 -0.02 0.00 0.00 41.12 40.22 3kvn n ASP 500 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kvn s GLY 501 N -0.64 1.62 0.22 0.44 0.00 -1.21 -4.60 107.32 103.16 3kvn s GLY 501 Ca 0.65 0.19 -0.22 0.00 0.00 0.00 0.00 44.72 45.34 3kvn s GLY 501 CO 0.55 0.73 0.71 -2.52 0.00 0.00 0.00 173.10 172.56 3kvn s TYR 502 N -2.66 -0.30 -0.20 1.90 -0.85 -0.87 -4.85 117.35 109.53 3kvn s TYR 502 Ca 0.66 -0.06 -0.03 0.00 -0.52 0.00 0.00 57.07 57.13 3kvn s TYR 502 Cb -0.22 0.65 -0.00 0.00 0.38 0.00 0.00 41.96 42.77 3kvn s TYR 502 CO 0.60 -1.06 -0.08 0.45 -1.52 0.00 0.00 175.55 173.94 3kvn s SER 503 N -2.85 4.08 0.53 -0.18 0.15 -1.26 0.09 113.70 114.25 3kvn s SER 503 Ca 0.08 -0.43 -0.22 0.00 0.70 0.00 0.00 55.95 56.09 3kvn s SER 503 Cb -0.04 -1.68 -0.07 0.00 -1.71 0.00 0.00 66.02 62.52 3kvn s SER 503 CO -0.00 0.00 1.14 -0.62 1.20 0.00 0.00 173.24 174.96 3kvn n GLU 504 N 4.63 1.37 -1.89 5.44 1.02 -0.41 -4.86 120.64 125.93 3kvn n GLU 504 Ca -0.19 0.50 -0.38 0.00 -0.02 0.00 0.00 57.16 57.07 3kvn n GLU 504 Cb 0.51 -2.30 0.02 0.00 -0.02 0.00 0.00 31.44 29.65 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 -2.58 3.41 2.08 3.49 -0.14 0.43 -4.77 119.74 121.66 3kvn s LYS 505 Ca 0.70 2.18 0.00 0.00 -1.36 0.00 0.00 55.97 57.49 3kvn s LYS 505 Cb -0.46 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.30 3kvn s LYS 505 CO 0.51 -0.95 0.00 0.41 -0.76 0.00 0.00 175.35 174.56 3kvn n GLY 506 N 0.65 -0.87 2.75 -3.33 0.00 -1.26 -4.74 105.19 98.38 3kvn n GLY 506 Ca 0.08 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 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 1.33 2.67 -0.48 4.61 0.00 -1.26 -4.94 120.51 122.43 3kvn n ALA 507 Ca 0.00 -2.04 -0.29 0.00 0.00 0.00 0.00 53.44 51.11 3kvn n ALA 507 Cb 0.00 -0.88 0.25 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.87 -2.13 0.28 0.00 3.41 -1.26 -4.58 113.62 108.47 3kvn n SER 508 Ca -0.02 -0.24 0.17 0.00 -0.26 0.00 0.00 58.87 58.51 3kvn n SER 508 Cb 0.84 -1.18 0.73 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.71 1.02 -0.01 7.33 0.00 -1.92 -2.93 119.26 120.05 3kvn h ALA 509 Ca -0.61 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3kvn h ALA 509 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kvn h ALA 509 CO 0.47 0.04 -0.61 0.25 0.00 0.00 0.00 179.25 179.40 3kvn n THR 510 N -3.16 0.00 -2.30 0.00 -2.24 -1.26 -4.78 114.28 100.54 3kvn n THR 510 Ca -0.00 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 3kvn n THR 510 Cb 0.29 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 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 -2.58 3.49 0.12 6.98 0.00 -1.11 -4.94 121.76 123.72 3kvn s ALA 511 Ca 0.15 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.17 3kvn s ALA 511 Cb 0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3kvn s ALA 511 CO 0.64 -0.51 -0.08 -0.51 0.00 0.00 0.00 175.76 175.31 3kvn s LEU 512 N 0.87 3.11 -0.18 0.00 1.43 -1.26 -0.69 118.68 121.95 3kvn s LEU 512 Ca 0.60 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.30 3kvn s LEU 512 Cb -0.33 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.03 3kvn s LEU 512 CO 0.31 0.15 -0.15 -0.62 0.23 0.00 0.00 176.35 176.27 3kvn s ASP 513 N -2.42 3.57 0.07 2.29 -1.08 0.30 -1.29 116.67 118.11 3kvn s ASP 513 Ca 0.23 -0.53 0.03 0.00 -0.52 0.00 0.00 52.55 51.76 3kvn s ASP 513 Cb -0.11 -1.56 -0.04 0.00 -1.46 0.00 0.00 42.92 39.75 3kvn s ASP 513 CO 0.15 0.03 0.07 -0.31 0.52 0.00 0.00 175.17 175.63 3kvn s TYR 514 N 1.13 3.17 0.78 -5.34 2.02 0.11 -1.72 117.35 117.51 3kvn s TYR 514 Ca 0.01 0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 56.68 3kvn s TYR 514 Cb -0.14 -1.63 0.07 0.00 -0.40 0.00 0.00 41.96 39.87 3kvn s TYR 514 CO -0.06 0.52 1.14 -0.51 -1.57 0.00 0.00 175.55 175.07 3kvn s ASP 515 N -2.29 4.59 0.48 2.29 1.11 -0.25 -2.04 116.67 120.57 3kvn s ASP 515 Ca 0.28 0.72 -0.23 0.00 0.18 0.00 0.00 52.55 53.50 3kvn s ASP 515 Cb -0.12 -1.25 -0.08 0.00 1.07 0.00 0.00 42.92 42.54 3kvn s ASP 515 CO 0.20 -1.83 1.11 0.47 1.18 0.00 0.00 175.17 176.31 3kvn n ASP 516 N -3.22 1.66 -4.16 0.27 8.00 -1.26 -3.31 116.55 114.52 3kvn n ASP 516 Ca 0.08 0.99 -0.27 0.00 0.71 0.00 0.00 54.79 56.29 3kvn n ASP 516 Cb 0.61 -1.43 -0.16 0.00 -0.02 0.00 0.00 41.12 40.12 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 -2.37 2.02 0.01 -1.24 0.74 0.69 -4.79 119.66 114.72 3kvn s GLN 517 Ca 0.67 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 55.41 3kvn s GLN 517 Cb -0.49 -1.71 -0.01 0.00 1.10 0.00 0.00 33.01 31.90 3kvn s GLN 517 CO 0.54 0.25 -0.02 -1.59 -0.55 0.00 0.00 175.29 173.92 3kvn s LYS 518 N 0.07 0.15 -0.09 1.67 -2.85 -1.26 -0.11 119.74 117.32 3kvn s LYS 518 Ca -0.06 -0.30 -0.03 0.00 -1.00 0.00 0.00 55.97 54.58 3kvn s LYS 518 Cb -0.13 0.05 0.05 0.00 -2.06 0.00 0.00 37.83 35.74 3kvn s LYS 518 CO 0.03 -0.02 0.17 0.50 0.10 0.00 0.00 175.35 176.13 3kvn s ARG 519 N -0.71 0.05 0.01 1.78 6.06 0.14 -5.01 118.95 121.28 3kvn s ARG 519 Ca -0.08 0.57 0.00 0.00 -2.50 0.00 0.00 55.73 53.72 3kvn s ARG 519 Cb -0.05 -0.24 -0.04 0.00 0.06 0.00 0.00 34.95 34.69 3kvn s ARG 519 CO -0.00 -0.29 0.10 -1.12 -2.50 0.00 0.00 175.30 171.48 3kvn s SER 520 N 2.20 5.75 -0.12 -2.12 0.01 -1.26 -1.64 113.70 116.51 3kvn s SER 520 Ca 0.02 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.44 3kvn s SER 520 Cb -0.12 -1.66 0.01 0.00 0.21 0.00 0.00 66.02 64.47 3kvn s SER 520 CO -0.06 0.25 -0.18 -0.55 0.41 0.00 0.00 173.24 173.10 3kvn s SER 521 N -1.92 2.76 -0.24 2.44 0.15 0.91 -4.75 113.70 113.05 3kvn s SER 521 Ca 0.25 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3kvn s SER 521 Cb -0.12 -1.26 0.05 0.00 -1.71 0.00 0.00 66.02 62.98 3kvn s SER 521 CO 0.17 0.05 -0.13 -0.54 1.20 0.00 0.00 173.24 173.98 3kvn s LYS 522 N 0.90 2.38 -0.03 5.44 1.02 -1.26 -1.82 119.74 126.38 3kvn s LYS 522 Ca -0.07 -1.22 0.05 0.00 0.02 0.00 0.00 55.97 54.75 3kvn s LYS 522 Cb -0.15 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 3kvn s LYS 522 CO -0.02 -0.49 -0.17 1.03 -0.92 0.00 0.00 175.35 174.79 3kvn s ARG 523 N 1.16 1.59 -0.07 1.68 0.52 -0.50 -0.14 118.95 123.18 3kvn s ARG 523 Ca -0.06 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 3kvn s ARG 523 Cb -0.18 -1.44 -0.02 0.00 0.52 0.00 0.00 34.95 33.83 3kvn s ARG 523 CO -0.07 0.29 -0.18 -0.51 0.02 0.00 0.00 175.30 174.85 3kvn s LEU 524 N -0.14 2.47 0.11 2.53 1.43 -0.93 -1.03 118.68 123.13 3kvn s LEU 524 Ca 0.01 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3kvn s LEU 524 Cb -0.09 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3kvn s LEU 524 CO 0.01 0.26 -0.08 -0.83 0.23 0.00 0.00 176.35 175.94 3kvn s GLY 525 N -0.23 0.87 0.04 -3.19 0.00 0.09 -0.91 107.32 103.99 3kvn s GLY 525 Ca -0.00 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.36 3kvn s GLY 525 CO 0.03 -1.49 -0.10 0.00 0.00 0.00 0.00 173.10 171.54 3kvn s ALA 526 N -3.46 0.76 0.32 3.20 0.00 -0.82 -0.37 121.76 121.39 3kvn s ALA 526 Ca 0.13 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 3kvn s ALA 526 Cb 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.16 3kvn s ALA 526 CO -0.03 0.08 0.81 0.20 0.00 0.00 0.00 175.76 176.83 3kvn s GLY 527 N -1.25 0.17 -0.07 0.00 0.00 -0.03 -1.19 107.32 104.95 3kvn s GLY 527 Ca -0.04 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3kvn s GLY 527 CO 0.01 0.09 -0.09 -2.27 0.00 0.00 0.00 173.10 170.84 3kvn s LEU 528 N -3.06 1.46 0.15 0.66 2.96 -0.16 -0.49 118.68 120.19 3kvn s LEU 528 Ca 0.15 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 3kvn s LEU 528 Cb -0.05 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 3kvn s LEU 528 CO 0.09 -0.02 -0.18 0.00 -1.32 0.00 0.00 176.35 174.92 3kvn s GLN 529 N 0.97 1.20 0.23 1.98 -2.07 -0.14 -1.11 119.66 120.71 3kvn s GLN 529 Ca -0.09 -1.34 -0.22 0.00 -1.82 0.00 0.00 55.36 51.88 3kvn s GLN 529 Cb -0.15 -1.24 0.04 0.00 -1.09 0.00 0.00 33.01 30.57 3kvn s GLN 529 CO 0.00 0.25 0.76 0.20 -1.32 0.00 0.00 175.29 175.19 3kvn s GLY 530 N -2.54 -0.20 0.20 2.60 0.00 -0.54 0.14 107.32 106.98 3kvn s GLY 530 Ca 0.13 -0.06 -0.22 0.00 0.00 0.00 0.00 44.72 44.57 3kvn s GLY 530 CO 0.06 -0.02 0.64 -1.59 0.00 0.00 0.00 173.10 172.19 3kvn s LYS 531 N -3.73 1.46 -0.06 2.90 -2.85 -0.05 -1.29 119.74 116.12 3kvn s LYS 531 Ca 0.10 -0.66 0.00 0.00 -1.00 0.00 0.00 55.97 54.42 3kvn s LYS 531 Cb -0.04 0.60 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 3kvn s LYS 531 CO 0.03 -0.65 -0.04 -0.47 0.10 0.00 0.00 175.35 174.32 3kvn s TYR 532 N -3.81 0.81 -0.13 1.78 5.04 0.81 -1.36 117.35 120.49 3kvn s TYR 532 Ca 0.05 -0.25 -0.15 0.00 -2.44 0.00 0.00 57.07 54.28 3kvn s TYR 532 Cb -0.03 -0.75 -0.05 0.00 0.35 0.00 0.00 41.96 41.49 3kvn s TYR 532 CO -0.06 -0.25 0.35 0.00 -1.34 0.00 0.00 175.55 174.25 3kvn s ALA 533 N 1.18 3.59 -0.93 3.97 0.00 0.12 -1.09 121.76 128.60 3kvn s ALA 533 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3kvn s ALA 533 Cb -0.14 -2.43 0.32 0.00 0.00 0.00 0.00 23.12 20.87 3kvn s ALA 533 CO -0.01 0.15 1.59 1.19 0.00 0.00 0.00 175.76 178.68 3kvn n PHE 534 N 3.28 3.00 -1.86 0.00 3.72 0.12 -4.83 117.46 120.89 3kvn n PHE 534 Ca -0.11 -2.89 -0.00 0.00 -0.05 0.00 0.00 57.45 54.39 3kvn n PHE 534 Cb 0.52 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 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 0.05 -0.47 4.07 1.37 0.00 -1.26 -4.20 105.19 104.75 3kvn n GLY 535 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.21 0.00 -0.06 1.61 3.41 -1.26 -4.28 113.62 111.83 3kvn n SER 536 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 3kvn n SER 536 Cb 0.50 -1.28 -0.08 0.00 -0.26 0.00 0.00 64.21 63.09 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 2.55 -3.94 4.04 8.00 -1.26 -4.79 116.55 121.15 3kvn n ASP 537 Ca 0.00 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.34 3kvn n ASP 537 Cb 0.00 0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 41.33 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 -2.27 0.19 0.01 -3.53 -1.32 -1.26 0.25 115.64 107.70 3kvn s THR 538 Ca -0.11 -0.35 -0.12 0.00 -1.21 0.00 0.00 61.69 59.90 3kvn s THR 538 Cb 0.04 -0.21 0.01 0.00 -1.51 0.00 0.00 72.50 70.83 3kvn s THR 538 CO 0.40 -0.11 0.24 0.00 -2.21 0.00 0.00 174.62 172.94 3kvn s GLN 539 N -0.49 0.65 -0.03 7.08 -2.07 -0.06 0.11 119.66 124.84 3kvn s GLN 539 Ca -0.04 -0.39 0.05 0.00 -1.82 0.00 0.00 55.36 53.17 3kvn s GLN 539 Cb -0.04 0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 3kvn s GLN 539 CO -0.00 -0.18 -0.19 -0.51 -1.32 0.00 0.00 175.29 173.09 3kvn s LEU 540 N -1.61 1.98 0.05 2.60 1.43 -0.25 -1.23 118.68 121.64 3kvn s LEU 540 Ca -0.11 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3kvn s LEU 540 Cb -0.04 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 3kvn s LEU 540 CO 0.01 0.19 -0.04 0.72 0.23 0.00 0.00 176.35 177.46 3kvn s PHE 541 N -0.17 0.49 0.19 0.29 -0.12 -0.80 -0.14 117.98 117.73 3kvn s PHE 541 Ca 0.01 -0.82 -0.15 0.00 -0.05 0.00 0.00 56.93 55.92 3kvn s PHE 541 Cb -0.10 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 41.96 3kvn s PHE 541 CO 0.01 -0.26 0.46 0.00 -0.05 0.00 0.00 175.22 175.38 3kvn s ALA 542 N -2.85 -0.63 -0.03 1.99 0.00 -0.41 -1.36 121.76 118.47 3kvn s ALA 542 Ca -0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 3kvn s ALA 542 Cb 0.00 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.04 3kvn s ALA 542 CO -0.05 -0.77 0.51 -1.83 0.00 0.00 0.00 175.76 173.61 3kvn s GLU 543 N -3.91 0.89 0.01 0.00 -1.05 -0.45 -1.47 118.70 112.72 3kvn s GLU 543 Ca 0.12 0.03 0.07 0.00 -0.15 0.00 0.00 54.97 55.04 3kvn s GLU 543 Cb 0.00 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.08 3kvn s GLU 543 CO -0.01 -0.27 -0.21 -0.47 0.95 0.00 0.00 175.26 175.26 3kvn s TYR 544 N -1.34 1.84 -0.02 4.83 5.04 -0.26 -0.80 117.35 126.64 3kvn s TYR 544 Ca -0.12 -0.36 -0.05 0.00 -2.44 0.00 0.00 57.07 54.10 3kvn s TYR 544 Cb -0.02 -1.14 0.00 0.00 0.35 0.00 0.00 41.96 41.15 3kvn s TYR 544 CO 0.07 0.02 0.11 0.00 -1.34 0.00 0.00 175.55 174.42 3kvn s ALA 545 N -0.62 -0.27 -0.16 3.97 0.00 -0.16 -0.99 121.76 123.52 3kvn s ALA 545 Ca 0.08 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3kvn s ALA 545 Cb -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kvn s ALA 545 CO 0.00 -0.14 -0.21 -1.58 0.00 0.00 0.00 175.76 173.84 3kvn s HIS 546 N -0.75 2.73 0.20 0.00 2.46 -0.33 -1.28 115.29 118.31 3kvn s HIS 546 Ca -0.08 -1.49 0.09 0.00 0.47 0.00 0.00 55.06 54.05 3kvn s HIS 546 Cb -0.05 -1.87 -0.04 0.00 -0.13 0.00 0.00 32.58 30.49 3kvn s HIS 546 CO 0.01 -0.71 -0.09 -1.21 -2.47 0.00 0.00 174.74 170.27 3kvn s GLU 547 N 1.06 2.07 -0.12 2.88 2.02 0.11 -1.94 118.70 124.79 3kvn s GLU 547 Ca -0.01 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 53.68 3kvn s GLU 547 Cb -0.14 -2.13 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 3kvn s GLU 547 CO -0.07 0.42 -0.20 0.50 0.02 0.00 0.00 175.26 175.93 3kvn s ARG 548 N -3.01 3.17 -0.16 1.61 3.00 -0.09 -1.77 118.95 121.71 3kvn s ARG 548 Ca 0.26 -0.81 -0.21 0.00 -1.00 0.00 0.00 55.73 53.97 3kvn s ARG 548 Cb -0.08 -2.44 -0.03 0.00 0.00 0.00 0.00 34.95 32.40 3kvn s ARG 548 CO 0.16 0.16 0.64 -1.21 0.00 0.00 0.00 175.30 175.05 3kvn s GLU 549 N 0.41 4.28 0.02 5.12 0.41 0.38 -2.18 118.70 127.14 3kvn s GLU 549 Ca -0.15 0.68 0.22 0.00 -0.41 0.00 0.00 54.97 55.32 3kvn s GLU 549 Cb -0.17 -3.53 -0.17 0.00 -1.78 0.00 0.00 34.13 28.48 3kvn s GLU 549 CO 0.07 -0.13 0.78 0.66 -0.49 0.00 0.00 175.26 176.15 3kvn n TYR 550 N 4.61 0.15 -3.05 1.61 4.01 0.80 -4.51 117.16 120.78 3kvn n TYR 550 Ca -0.02 0.04 -0.44 0.00 -0.16 0.00 0.00 57.90 57.33 3kvn n TYR 550 Cb 0.50 -0.40 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.02 4.09 -1.10 -0.72 -0.58 -1.26 -4.79 120.64 114.25 3kvn n GLU 551 Ca -0.00 -4.42 -0.09 0.00 -0.42 0.00 0.00 57.16 52.23 3kvn n GLU 551 Cb 0.47 -2.58 0.15 0.00 -0.57 0.00 0.00 31.44 28.91 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 2.12 3.28 -4.80 1.62 5.75 -1.26 -4.70 116.55 118.57 3kvn n ASP 552 Ca 0.27 -3.81 -0.36 0.00 -0.01 0.00 0.00 54.79 50.88 3kvn n ASP 552 Cb 0.36 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.81 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 -2.90 7.16 0.24 -1.12 1.11 -1.26 -4.63 116.67 115.27 3kvn s ASP 553 Ca 0.46 1.67 -0.31 0.00 0.18 0.00 0.00 52.55 54.55 3kvn s ASP 553 Cb 0.41 -2.52 -0.12 0.00 1.07 0.00 0.00 42.92 41.76 3kvn s ASP 553 CO -0.01 -0.10 1.66 -0.89 1.18 0.00 0.00 175.17 177.01 3kvn s THR 554 N -1.72 2.09 0.63 -1.27 2.01 -1.26 -4.23 115.64 111.90 3kvn s THR 554 Ca 0.51 0.07 -0.10 0.00 0.31 0.00 0.00 61.69 62.48 3kvn s THR 554 Cb -0.16 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 3kvn s THR 554 CO 0.21 0.01 1.01 -1.10 -0.69 0.00 0.00 174.62 174.06 3kvn s GLN 555 N 0.55 3.22 0.07 4.92 -1.52 0.39 -4.90 119.66 122.40 3kvn s GLN 555 Ca 0.70 0.48 -0.04 0.00 -1.95 0.00 0.00 55.36 54.55 3kvn s GLN 555 Cb -0.48 -2.12 -0.03 0.00 -0.22 0.00 0.00 33.01 30.16 3kvn s GLN 555 CO 0.38 -0.72 0.06 0.16 -0.25 0.00 0.00 175.29 174.92 3kvn s ASP 556 N -4.26 0.34 -0.06 5.90 1.47 -1.26 0.18 116.67 118.99 3kvn s ASP 556 Ca 0.55 -0.91 0.03 0.00 1.18 0.00 0.00 52.55 53.40 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 0.51 -0.66 -0.13 -0.22 0.68 0.00 0.00 175.17 175.34 3kvn s LEU 557 N -2.92 1.73 -0.14 2.11 2.96 -0.01 -4.92 118.68 117.50 3kvn s LEU 557 Ca 0.08 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 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 -0.09 0.07 0.14 -0.89 -1.32 0.00 0.00 176.35 174.26 3kvn s THR 558 N 0.46 5.48 0.30 3.68 2.01 -1.26 -1.31 115.64 125.00 3kvn s THR 558 Ca -0.11 0.21 -0.20 0.00 0.31 0.00 0.00 61.69 61.91 3kvn s THR 558 Cb -0.14 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 68.98 3kvn s THR 558 CO 0.03 0.58 0.73 0.00 -0.69 0.00 0.00 174.62 175.27 3kvn s MET 559 N -0.74 1.86 0.07 4.92 0.23 -0.15 -1.09 119.30 124.41 3kvn s MET 559 Ca 0.14 -1.07 -0.11 0.00 -1.03 0.00 0.00 55.69 53.61 3kvn s MET 559 Cb -0.12 0.61 0.01 0.00 -1.53 0.00 0.00 34.83 33.80 3kvn s MET 559 CO 0.03 -0.85 0.25 -1.54 -2.03 0.00 0.00 175.02 170.88 3kvn s SER 560 N -2.95 -0.01 0.25 -1.18 1.04 -0.70 -0.77 113.70 109.37 3kvn s SER 560 Ca 0.12 -0.42 -0.30 0.00 0.48 0.00 0.00 55.95 55.84 3kvn s SER 560 Cb -0.06 0.35 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 3kvn s SER 560 CO 0.08 -0.68 1.28 -0.76 0.98 0.00 0.00 173.24 174.14 3kvn s LEU 561 N -2.46 4.44 0.40 2.42 1.02 -1.26 -0.54 118.68 122.71 3kvn s LEU 561 Ca -0.00 2.46 0.14 0.00 0.02 0.00 0.00 54.13 56.75 3kvn s LEU 561 Cb 0.02 -3.62 1.00 0.00 0.02 0.00 0.00 46.19 43.60 3kvn s LEU 561 CO -0.07 -0.47 1.88 0.78 0.02 0.00 0.00 176.35 178.49 3kvn h ASN 562 N 4.59 0.47 0.94 2.29 2.35 -1.21 -1.10 115.58 123.92 3kvn h ASN 562 Ca -0.46 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3kvn h ASN 562 Cb 1.22 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3kvn h ASN 562 CO 0.72 0.22 0.00 -1.54 -1.65 0.00 0.00 177.43 175.19 3kvn n SER 563 N -4.51 0.22 -3.24 5.81 3.41 -1.26 -4.16 113.62 109.88 3kvn n SER 563 Ca 0.17 0.53 -0.25 0.00 -0.26 0.00 0.00 58.87 59.06 3kvn n SER 563 Cb 0.57 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.72 0.15 0.28 1.04 4.77 -0.42 -5.00 117.00 116.10 3kvn n LEU 564 Ca 0.05 -4.65 0.16 0.00 -0.03 0.00 0.00 56.01 51.54 3kvn n LEU 564 Cb 0.31 0.58 0.80 0.00 -2.33 0.00 0.00 43.42 42.77 3kvn n LEU 564 CO 0.24 2.02 1.01 -0.65 -1.33 0.00 0.00 177.39 178.68 3kvn h PRO 565 N 4.35 0.00 -0.23 3.23 0.11 -1.71 -2.77 132.00 134.98 3kvn h PRO 565 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3kvn h PRO 565 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3kvn h PRO 565 CO 0.45 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 3kvn n GLY 566 N -0.56 0.65 2.90 -0.55 0.00 -1.26 -4.63 105.19 101.74 3kvn n GLY 566 Ca -0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.52 4.43 0.04 1.61 -0.87 -1.05 -4.52 114.94 113.06 3kvn s ASN 567 Ca 0.33 -3.38 -0.09 0.00 -1.57 0.00 0.00 52.86 48.15 3kvn s ASN 567 Cb 0.18 -1.57 -0.05 0.00 -0.02 0.00 0.00 41.25 39.79 3kvn s ASN 567 CO 0.27 -0.16 0.34 -0.13 -2.57 0.00 0.00 177.10 174.85 3kvn s ARG 568 N -0.78 3.70 0.12 -0.60 0.52 -1.26 -4.46 118.95 116.19 3kvn s ARG 568 Ca 0.21 0.09 -0.01 0.00 -0.52 0.00 0.00 55.73 55.51 3kvn s ARG 568 Cb -0.15 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 3kvn s ARG 568 CO -0.08 0.62 0.02 -0.59 0.02 0.00 0.00 175.30 175.29 3kvn s PHE 569 N -1.31 0.83 -0.09 -0.53 -0.12 0.05 -4.62 117.98 112.18 3kvn s PHE 569 Ca 0.29 -1.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.03 3kvn s PHE 569 Cb -0.14 -0.49 0.02 0.00 -0.63 0.00 0.00 43.02 41.78 3kvn s PHE 569 CO 0.16 -0.43 -0.11 0.99 -0.05 0.00 0.00 175.22 175.78 3kvn s THR 570 N -3.95 1.19 0.22 -4.49 2.01 -1.26 -0.97 115.64 108.38 3kvn s THR 570 Ca 0.20 -0.46 0.11 0.00 0.31 0.00 0.00 61.69 61.84 3kvn s THR 570 Cb 0.07 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 3kvn s THR 570 CO -0.01 0.38 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.34 3kvn s LEU 571 N 1.06 2.51 0.48 4.42 1.43 -0.42 -4.94 118.68 123.21 3kvn s LEU 571 Ca -0.07 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 51.92 3kvn s LEU 571 Cb -0.15 -1.01 -0.08 0.00 0.03 0.00 0.00 46.19 44.98 3kvn s LEU 571 CO -0.01 0.02 0.95 -1.61 0.23 0.00 0.00 176.35 175.92 3kvn s GLU 572 N -3.14 3.98 0.00 1.70 2.02 -1.26 -0.83 118.70 121.17 3kvn s GLU 572 Ca 0.24 0.92 0.00 0.00 0.02 0.00 0.00 54.97 56.15 3kvn s GLU 572 Cb -0.05 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.99 3kvn s GLU 572 CO 0.11 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.61 3kvn n GLY 573 N -1.33 5.63 3.62 -1.39 0.00 0.13 -4.58 105.19 107.28 3kvn n GLY 573 Ca 0.06 -0.98 -0.47 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.75 1.61 9.36 -1.23 -4.34 117.16 120.56 3kvn n TYR 574 Ca 0.00 0.54 -0.38 0.00 3.32 0.00 0.00 57.90 61.38 3kvn n TYR 574 Cb 0.00 -2.38 -0.12 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 0.03 3.80 0.26 2.97 2.01 -1.26 -0.46 115.64 122.99 3kvn s THR 575 Ca 0.73 -1.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 3kvn s THR 575 Cb -0.77 -3.14 -0.11 0.00 0.01 0.00 0.00 72.50 68.48 3kvn s THR 575 CO 0.49 -0.17 1.63 -2.84 -0.69 0.00 0.00 174.62 173.04 3kvn s PRO 576 N 1.41 4.13 0.60 4.92 0.02 -1.26 -4.98 135.00 139.83 3kvn s PRO 576 Ca -0.01 2.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.46 3kvn s PRO 576 Cb -0.19 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 3kvn s PRO 576 CO 0.03 -0.66 1.02 -0.65 -0.33 0.00 0.00 177.00 176.41 3kvn s GLN 577 N 0.02 3.62 0.00 5.54 -1.52 -1.26 -4.61 119.66 121.45 3kvn s GLN 577 Ca 0.67 0.83 0.25 0.00 -1.95 0.00 0.00 55.36 55.16 3kvn s GLN 577 Cb -0.48 -2.08 0.53 0.00 -0.22 0.00 0.00 33.01 30.75 3kvn s GLN 577 CO 0.43 -0.55 1.43 -0.40 -0.25 0.00 0.00 175.29 175.95 3kvn n ASP 578 N -2.48 1.84 -4.11 5.90 5.68 -1.26 -4.56 116.55 117.56 3kvn n ASP 578 Ca 0.06 -1.45 -0.23 0.00 -0.50 0.00 0.00 54.79 52.67 3kvn n ASP 578 Cb 0.54 0.15 -0.15 0.00 -1.14 0.00 0.00 41.12 40.52 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 -2.25 1.34 0.01 2.11 3.76 -1.26 -0.47 115.29 118.53 3kvn s HIS 579 Ca 0.27 -0.28 -0.03 0.00 -0.15 0.00 0.00 55.06 54.87 3kvn s HIS 579 Cb 0.20 -0.88 -0.01 0.00 1.11 0.00 0.00 32.58 33.00 3kvn s HIS 579 CO 0.43 -0.05 0.05 -0.48 -0.85 0.00 0.00 174.74 173.85 3kvn s LEU 580 N -0.24 1.88 -0.03 0.89 0.05 -0.73 -4.21 118.68 116.29 3kvn s LEU 580 Ca 0.04 -0.29 0.05 0.00 0.05 0.00 0.00 54.13 53.98 3kvn s LEU 580 Cb -0.07 0.36 -0.01 0.00 -2.05 0.00 0.00 46.19 44.42 3kvn s LEU 580 CO -0.00 -0.29 -0.19 0.20 -0.55 0.00 0.00 176.35 175.52 3kvn s ASN 581 N -1.23 2.24 0.01 1.48 0.01 -0.34 -0.71 114.94 116.40 3kvn s ASN 581 Ca -0.13 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 3kvn s ASN 581 Cb -0.08 -0.40 -0.01 0.00 0.41 0.00 0.00 41.25 41.17 3kvn s ASN 581 CO 0.00 0.21 -0.02 -0.13 -1.51 0.00 0.00 177.10 175.64 3kvn s ARG 582 N -0.26 0.20 0.02 -0.60 0.52 -0.40 -0.49 118.95 117.93 3kvn s ARG 582 Ca 0.03 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.02 3kvn s ARG 582 Cb -0.09 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.31 3kvn s ARG 582 CO 0.01 0.00 -0.19 0.14 0.02 0.00 0.00 175.30 175.28 3kvn s VAL 583 N -0.58 1.51 -0.04 3.52 -7.23 -0.73 -0.99 120.40 115.86 3kvn s VAL 583 Ca -0.05 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 3kvn s VAL 583 Cb -0.04 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.60 3kvn s VAL 583 CO -0.00 0.27 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.49 3kvn s SER 584 N -0.86 1.69 0.10 4.85 0.01 0.02 -1.56 113.70 117.95 3kvn s SER 584 Ca 0.07 -0.27 0.10 0.00 1.31 0.00 0.00 55.95 57.15 3kvn s SER 584 Cb -0.08 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 3kvn s SER 584 CO 0.01 0.09 -0.24 -0.76 0.41 0.00 0.00 173.24 172.74 3kvn s LEU 585 N 0.26 2.39 0.20 2.44 1.43 0.00 -1.34 118.68 124.07 3kvn s LEU 585 Ca -0.06 -0.66 -0.21 0.00 -1.03 0.00 0.00 54.13 52.17 3kvn s LEU 585 Cb -0.11 -1.32 0.04 0.00 0.03 0.00 0.00 46.19 44.83 3kvn s LEU 585 CO 0.02 0.20 0.60 -0.83 0.23 0.00 0.00 176.35 176.57 3kvn s GLY 586 N -1.88 -0.33 0.04 -3.19 0.00 -0.47 0.11 107.32 101.61 3kvn s GLY 586 Ca 0.14 0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.88 3kvn s GLY 586 CO 0.06 -0.03 0.10 -0.11 0.00 0.00 0.00 173.10 173.12 3kvn s PHE 587 N -3.83 0.19 -0.05 1.90 -0.12 -0.56 -1.90 117.98 113.61 3kvn s PHE 587 Ca 0.06 -0.48 0.01 0.00 -0.05 0.00 0.00 56.93 56.47 3kvn s PHE 587 Cb -0.02 -0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.26 3kvn s PHE 587 CO -0.05 -0.37 -0.06 0.45 -0.05 0.00 0.00 175.22 175.14 3kvn s SER 588 N -2.10 1.04 -0.13 1.98 0.15 -0.36 -1.83 113.70 112.45 3kvn s SER 588 Ca -0.05 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 3kvn s SER 588 Cb -0.01 -0.50 0.03 0.00 -1.71 0.00 0.00 66.02 63.83 3kvn s SER 588 CO -0.04 -0.03 -0.07 -1.58 1.20 0.00 0.00 173.24 172.72 3kvn s GLN 589 N 0.83 1.46 0.18 5.44 2.00 0.65 -0.89 119.66 129.33 3kvn s GLN 589 Ca -0.12 -0.31 -0.31 0.00 -2.00 0.00 0.00 55.36 52.62 3kvn s GLN 589 Cb -0.14 -1.68 -0.10 0.00 0.80 0.00 0.00 33.01 31.89 3kvn s GLN 589 CO 0.01 -0.31 1.54 0.15 -0.50 0.00 0.00 175.29 176.18 3kvn s LYS 590 N 1.70 4.23 -0.03 1.67 1.02 0.14 0.07 119.74 128.54 3kvn s LYS 590 Ca 0.04 2.34 0.21 0.00 0.02 0.00 0.00 55.97 58.59 3kvn s LYS 590 Cb -0.13 -3.15 -0.32 0.00 -0.52 0.00 0.00 37.83 33.71 3kvn s LYS 590 CO -0.08 -0.57 0.53 1.28 -0.92 0.00 0.00 175.35 175.59 3kvn n LEU 591 N 3.71 0.15 -3.58 3.17 4.77 0.26 -4.88 117.00 120.59 3kvn n LEU 591 Ca 0.13 -0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3kvn n LEU 591 Cb 0.39 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3kvn n LEU 591 CO 0.61 0.04 0.87 0.00 -1.33 0.00 0.00 177.39 177.58 3kvn s ALA 592 N -3.42 -1.96 0.12 -1.18 0.00 -1.00 -4.99 121.76 109.33 3kvn s ALA 592 Ca -0.06 1.13 -0.35 0.00 0.00 0.00 0.00 51.96 52.68 3kvn s ALA 592 Cb 0.14 0.21 -0.15 0.00 0.00 0.00 0.00 23.12 23.31 3kvn s ALA 592 CO 0.89 -0.73 1.43 -2.30 0.00 0.00 0.00 175.76 175.04 3kvn n PRO 593 N -0.23 1.55 0.00 0.00 -0.02 -1.26 -1.45 135.00 133.59 3kvn n PRO 593 Ca -0.05 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kvn n PRO 593 Cb 0.60 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.82 0.00 -3.91 -0.52 1.02 -1.26 -5.00 120.64 113.79 3kvn n GLU 594 Ca 0.17 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.02 3kvn n GLU 594 Cb 0.23 -1.05 -0.16 0.00 -0.02 0.00 0.00 31.44 30.44 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 2.04 -0.05 -4.62 2.96 -0.53 -1.61 118.68 116.87 3kvn s LEU 595 Ca 0.00 -0.92 0.04 0.00 -0.22 0.00 0.00 54.13 53.03 3kvn s LEU 595 Cb 0.00 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 3kvn s LEU 595 CO 0.00 -0.21 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.23 3kvn s SER 596 N 1.53 3.99 -0.10 3.68 0.01 -0.17 0.90 113.70 123.53 3kvn s SER 596 Ca -0.02 -0.21 -0.14 0.00 1.31 0.00 0.00 55.95 56.89 3kvn s SER 596 Cb -0.17 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 3kvn s SER 596 CO -0.07 0.34 0.33 -0.22 0.41 0.00 0.00 173.24 174.04 3kvn s LEU 597 N -0.72 4.34 0.01 2.44 2.96 0.11 -0.13 118.68 127.68 3kvn s LEU 597 Ca 0.11 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 3kvn s LEU 597 Cb -0.11 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 3kvn s LEU 597 CO 0.00 0.19 -0.10 -0.13 -1.32 0.00 0.00 176.35 175.00 3kvn s ARG 598 N -0.17 0.72 0.07 1.98 0.52 0.50 -0.26 118.95 122.31 3kvn s ARG 598 Ca 0.20 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 3kvn s ARG 598 Cb -0.14 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.62 3kvn s ARG 598 CO 0.08 0.18 -0.12 0.20 0.02 0.00 0.00 175.30 175.66 3kvn s GLY 599 N -0.60 0.76 -0.01 -3.53 0.00 -0.76 -0.24 107.32 102.95 3kvn s GLY 599 Ca 0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 3kvn s GLY 599 CO 0.00 -1.01 0.08 -0.32 0.00 0.00 0.00 173.10 171.85 3kvn s GLY 600 N -1.80 0.05 -0.05 0.20 0.00 -0.60 -1.50 107.32 103.62 3kvn s GLY 600 Ca -0.03 -0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.63 3kvn s GLY 600 CO 0.01 -0.16 -0.12 -0.47 0.00 0.00 0.00 173.10 172.36 3kvn s TYR 601 N -0.81 1.34 -0.01 1.90 5.04 0.12 -1.34 117.35 123.58 3kvn s TYR 601 Ca -0.09 -0.41 0.06 0.00 -2.44 0.00 0.00 57.07 54.19 3kvn s TYR 601 Cb -0.05 -0.95 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 3kvn s TYR 601 CO 0.00 -0.19 -0.20 -0.80 -1.34 0.00 0.00 175.55 173.02 3kvn s ASN 602 N 0.36 2.40 -0.11 4.32 0.01 0.77 -0.82 114.94 121.87 3kvn s ASN 602 Ca -0.08 -0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 51.67 3kvn s ASN 602 Cb -0.12 -0.26 0.03 0.00 0.41 0.00 0.00 41.25 41.31 3kvn s ASN 602 CO 0.02 0.24 -0.04 0.86 -1.51 0.00 0.00 177.10 176.67 3kvn s TRP 603 N -0.53 1.19 -0.09 2.20 -0.00 -0.60 -2.15 118.94 118.95 3kvn s TRP 603 Ca 0.08 -0.58 0.04 0.00 -0.00 0.00 0.00 56.10 55.63 3kvn s TRP 603 Cb -0.08 -1.08 0.00 0.00 -0.00 0.00 0.00 33.47 32.32 3kvn s TRP 603 CO -0.00 -0.47 -0.22 1.03 -0.00 0.00 0.00 176.95 177.29 3kvn s ARG 604 N 1.80 2.78 -0.12 5.86 0.52 0.28 -1.77 118.95 128.30 3kvn s ARG 604 Ca 0.04 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 54.44 3kvn s ARG 604 Cb -0.13 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.23 3kvn s ARG 604 CO -0.07 0.17 -0.08 0.21 0.02 0.00 0.00 175.30 175.55 3kvn s LYS 605 N 0.35 1.58 0.44 3.54 2.47 0.35 -0.54 119.74 127.93 3kvn s LYS 605 Ca -0.17 -0.28 0.06 0.00 -1.56 0.00 0.00 55.97 54.02 3kvn s LYS 605 Cb -0.17 -1.64 0.06 0.00 -1.46 0.00 0.00 37.83 34.62 3kvn s LYS 605 CO 0.08 -0.27 0.50 0.41 0.16 0.00 0.00 175.35 176.22 3kvn n GLY 606 N 4.93 2.30 0.21 5.54 0.00 -0.05 -1.20 105.19 116.92 3kvn n GLY 606 Ca -0.13 -2.23 -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 0.24 -0.04 1.61 4.81 -1.96 -3.26 114.58 115.99 3kvn h GLU 607 Ca -0.23 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3kvn h GLU 607 Cb 0.97 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 3kvn h GLU 607 CO 0.35 0.55 -0.05 -0.25 -0.73 0.00 0.00 179.01 178.87 3kvn n ASP 608 N -4.10 2.47 -3.51 1.04 8.00 -1.26 -5.01 116.55 114.17 3kvn n ASP 608 Ca -0.01 -3.18 -0.09 0.00 0.71 0.00 0.00 54.79 52.22 3kvn n ASP 608 Cb 0.41 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.80 -0.38 -0.03 -2.24 -4.77 -1.23 -0.47 116.67 104.76 3kvn s ASP 609 Ca 0.34 0.07 -0.00 0.00 -3.30 0.00 0.00 52.55 49.66 3kvn s ASP 609 Cb 0.30 0.38 0.03 0.00 -1.09 0.00 0.00 42.92 42.54 3kvn s ASP 609 CO 0.03 -0.59 0.02 -0.89 0.70 0.00 0.00 175.17 174.43 3kvn s THR 610 N -2.84 0.07 0.05 2.11 2.01 -0.13 -0.87 115.64 116.03 3kvn s THR 610 Ca 0.04 0.17 0.09 0.00 0.31 0.00 0.00 61.69 62.29 3kvn s THR 610 Cb -0.01 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 3kvn s THR 610 CO -0.07 0.13 -0.25 -1.10 -0.69 0.00 0.00 174.62 172.64 3kvn s GLN 611 N 1.17 1.85 0.04 4.92 -0.21 0.30 -1.28 119.66 126.44 3kvn s GLN 611 Ca -0.08 -1.09 0.01 0.00 0.02 0.00 0.00 55.36 54.22 3kvn s GLN 611 Cb -0.13 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.83 3kvn s GLN 611 CO -0.02 0.52 -0.05 -0.65 -2.12 0.00 0.00 175.29 172.96 3kvn s GLN 612 N -1.30 0.49 -0.10 2.91 -0.21 -0.33 -0.56 119.66 120.55 3kvn s GLN 612 Ca 0.12 -0.82 -0.24 0.00 0.02 0.00 0.00 55.36 54.45 3kvn s GLN 612 Cb -0.10 -0.07 0.06 0.00 1.00 0.00 0.00 33.01 33.89 3kvn s GLN 612 CO 0.03 -0.01 0.57 -1.54 -2.12 0.00 0.00 175.29 172.22 3kvn s SER 613 N -1.85 -0.55 0.04 5.90 1.04 -0.92 -0.16 113.70 117.21 3kvn s SER 613 Ca -0.08 0.76 0.06 0.00 0.48 0.00 0.00 55.95 57.17 3kvn s SER 613 Cb -0.06 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 3kvn s SER 613 CO -0.02 -0.43 -0.17 0.68 0.98 0.00 0.00 173.24 174.28 3kvn s VAL 614 N -0.68 1.36 0.02 5.02 -7.23 -0.52 -0.16 120.40 118.21 3kvn s VAL 614 Ca -0.08 -1.11 -0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3kvn s VAL 614 Cb -0.03 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 3kvn s VAL 614 CO 0.06 0.08 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.96 3kvn s SER 615 N -1.19 0.27 -0.01 4.85 1.04 -0.45 -1.44 113.70 116.77 3kvn s SER 615 Ca 0.04 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3kvn s SER 615 Cb -0.08 0.12 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 3kvn s SER 615 CO 0.02 -0.35 -0.07 -0.76 0.98 0.00 0.00 173.24 173.06 3kvn s LEU 616 N -1.68 1.97 0.06 2.42 1.43 -0.02 -1.56 118.68 121.31 3kvn s LEU 616 Ca -0.13 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 3kvn s LEU 616 Cb -0.07 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.77 3kvn s LEU 616 CO -0.02 0.08 0.23 0.00 0.23 0.00 0.00 176.35 176.87 3kvn s ALA 617 N -0.10 -0.41 -0.11 4.21 0.00 0.67 -1.23 121.76 124.78 3kvn s ALA 617 Ca 0.02 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.65 3kvn s ALA 617 Cb -0.04 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 3kvn s ALA 617 CO -0.00 -0.45 -0.14 -0.51 0.00 0.00 0.00 175.76 174.66 3kvn s LEU 618 N -2.42 2.71 -0.26 0.00 1.43 0.92 -0.37 118.68 120.68 3kvn s LEU 618 Ca -0.01 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3kvn s LEU 618 Cb 0.01 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.69 3kvn s LEU 618 CO -0.07 0.21 -0.08 -0.55 0.23 0.00 0.00 176.35 176.09 3kvn s SER 619 N 0.08 4.46 0.20 2.29 0.15 0.81 -1.70 113.70 119.99 3kvn s SER 619 Ca -0.06 -1.27 0.07 0.00 0.70 0.00 0.00 55.95 55.39 3kvn s SER 619 Cb -0.15 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 3kvn s SER 619 CO 0.04 -0.19 0.07 -0.22 1.20 0.00 0.00 173.24 174.14 3kvn s LEU 620 N 1.17 3.50 -0.17 3.45 2.96 0.37 -1.00 118.68 128.96 3kvn s LEU 620 Ca -0.06 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3kvn s LEU 620 Cb -0.19 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 3kvn s LEU 620 CO -0.04 0.05 -0.03 -1.81 -1.32 0.00 0.00 176.35 173.19 3kvn s ASP 621 N -3.28 4.75 0.00 3.68 1.11 -0.64 -0.83 116.67 121.46 3kvn s ASP 621 Ca 0.30 -0.17 0.27 0.00 0.18 0.00 0.00 52.55 53.13 3kvn s ASP 621 Cb -0.09 -1.78 0.77 0.00 1.07 0.00 0.00 42.92 42.89 3kvn s ASP 621 CO 0.21 0.14 1.59 0.49 1.18 0.00 0.00 175.17 178.78