#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvg s PRO 20 N 0.00 4.08 -0.03 1.61 0.04 -1.26 -4.94 135.00 134.49 3kvg s PRO 20 Ca 0.00 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.06 3kvg s PRO 20 Cb 0.00 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3kvg s PRO 20 CO 0.00 -0.14 -0.05 0.00 0.04 0.00 0.00 177.00 176.86 3kvg s ALA 21 N -2.39 3.09 0.27 8.56 0.00 -1.26 -4.21 121.76 125.82 3kvg s ALA 21 Ca 0.60 -0.94 0.10 0.00 0.00 0.00 0.00 51.96 51.73 3kvg s ALA 21 Cb -0.10 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 3kvg s ALA 21 CO 0.22 0.60 -0.07 0.96 0.00 0.00 0.00 175.76 177.47 3kvg s ILE 22 N -0.94 3.10 -0.15 0.00 -4.36 -0.41 -4.50 121.20 113.94 3kvg s ILE 22 Ca 0.16 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 3kvg s ILE 22 Cb -0.11 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.95 3kvg s ILE 22 CO 0.05 -0.38 -0.18 -0.83 0.24 0.00 0.00 174.94 173.84 3kvg s GLY 23 N -3.62 1.43 -0.11 6.27 0.00 -0.26 -1.79 107.32 109.23 3kvg s GLY 23 Ca 0.31 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 44.00 3kvg s GLY 23 CO 0.18 -0.01 -0.22 -0.42 0.00 0.00 0.00 173.10 172.63 3kvg s ILE 24 N 0.79 1.98 -0.52 0.90 1.01 0.01 -0.45 121.20 124.93 3kvg s ILE 24 Ca -0.06 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 3kvg s ILE 24 Cb -0.15 -1.74 0.08 0.00 0.01 0.00 0.00 42.46 40.66 3kvg s ILE 24 CO -0.00 0.54 0.57 -0.62 0.00 0.00 0.00 174.94 175.42 3kvg s ASP 25 N 0.58 6.19 -0.95 3.58 2.15 0.37 -1.95 116.67 126.65 3kvg s ASP 25 Ca -0.13 -1.28 -0.17 0.00 0.43 0.00 0.00 52.55 51.40 3kvg s ASP 25 Cb -0.17 -2.25 0.16 0.00 -0.30 0.00 0.00 42.92 40.35 3kvg s ASP 25 CO 0.04 -0.88 1.11 -0.22 -0.17 0.00 0.00 175.17 175.04 3kvg s LEU 26 N 2.24 5.39 0.67 -1.34 2.96 -1.26 -1.65 118.68 125.70 3kvg s LEU 26 Ca 0.10 -2.33 -0.11 0.00 -0.22 0.00 0.00 54.13 51.57 3kvg s LEU 26 Cb -0.23 -2.36 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 3kvg s LEU 26 CO 0.08 -0.91 1.06 -0.83 -1.32 0.00 0.00 176.35 174.42 3kvg s GLY 27 N 3.20 1.63 0.15 7.98 0.00 -1.00 -4.94 107.32 114.34 3kvg s GLY 27 Ca 0.31 -0.31 -0.13 0.00 0.00 0.00 0.00 44.72 44.59 3kvg s GLY 27 CO -0.08 0.02 1.63 -0.84 0.00 0.00 0.00 173.10 173.83 3kvg h THR 28 N -0.51 1.25 0.00 0.90 2.02 -1.97 -3.37 112.91 111.23 3kvg h THR 28 Ca -0.45 -0.96 -0.20 0.00 0.77 0.00 0.00 66.41 65.58 3kvg h THR 28 Cb 1.24 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3kvg h THR 28 CO 0.63 0.34 -1.74 0.35 0.37 0.00 0.00 175.52 175.47 3kvg n THR 29 N -4.39 0.75 -4.35 3.16 -2.24 -1.26 -4.09 114.28 101.85 3kvg n THR 29 Ca 0.01 -0.34 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 3kvg n THR 29 Cb 0.27 -0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 67.46 3kvg n THR 29 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kvg s TYR 30 N -2.26 0.82 0.10 4.78 2.02 -1.26 0.21 117.35 121.75 3kvg s TYR 30 Ca -0.14 -0.18 0.06 0.00 -0.37 0.00 0.00 57.07 56.45 3kvg s TYR 30 Cb 0.04 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 3kvg s TYR 30 CO 0.35 -0.01 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.13 3kvg s SER 31 N -0.32 4.59 -0.06 2.29 0.01 0.90 -2.37 113.70 118.74 3kvg s SER 31 Ca 0.03 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 3kvg s SER 31 Cb -0.04 -0.95 0.02 0.00 0.21 0.00 0.00 66.02 65.26 3kvg s SER 31 CO -0.00 0.18 0.15 0.00 0.41 0.00 0.00 173.24 173.98 3kvg s VAL 33 N 0.13 1.34 -0.06 0.00 0.11 -1.26 -0.47 120.40 120.19 3kvg s VAL 33 Ca -0.00 -0.69 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 3kvg s VAL 33 Cb -0.02 -1.14 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 3kvg s VAL 33 CO -0.00 0.39 -0.20 -0.83 -3.33 0.00 0.00 175.10 171.12 3kvg s GLY 34 N -0.13 1.39 0.42 6.54 0.00 0.41 -1.34 107.32 114.61 3kvg s GLY 34 Ca 0.01 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.75 3kvg s GLY 34 CO 0.01 -0.64 0.05 -1.34 0.00 0.00 0.00 173.10 171.17 3kvg s VAL 35 N -0.29 1.21 -0.21 1.40 -7.23 0.39 -1.10 120.40 114.58 3kvg s VAL 35 Ca 0.01 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 3kvg s VAL 35 Cb -0.13 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 3kvg s VAL 35 CO 0.03 0.00 -0.06 0.26 -0.31 0.00 0.00 175.10 175.02 3kvg s TRP 36 N -3.02 2.94 -0.04 2.82 0.52 -1.26 -0.63 118.94 120.28 3kvg s TRP 36 Ca 0.23 -0.88 0.00 0.00 0.02 0.00 0.00 56.10 55.47 3kvg s TRP 36 Cb 0.05 -2.06 0.03 0.00 -1.15 0.00 0.00 33.47 30.33 3kvg s TRP 36 CO 0.12 -0.49 -0.00 1.03 0.02 0.00 0.00 176.95 177.63 3kvg s ARG 37 N 1.29 0.39 -1.39 4.98 0.52 -0.59 -4.88 118.95 119.28 3kvg s ARG 37 Ca 0.03 0.06 -0.08 0.00 -0.52 0.00 0.00 55.73 55.23 3kvg s ARG 37 Cb -0.14 -0.58 0.03 0.00 0.52 0.00 0.00 34.95 34.78 3kvg s ARG 37 CO -0.02 -0.15 1.00 0.09 0.02 0.00 0.00 175.30 176.24 3kvg n ASN 38 N 4.25 -4.31 -2.16 0.23 3.02 -1.26 -2.44 115.26 112.59 3kvg n ASN 38 Ca -0.24 -0.69 -0.20 0.00 -0.03 0.00 0.00 54.58 53.42 3kvg n ASN 38 Cb 0.50 -4.46 -0.03 0.00 -0.61 0.00 0.00 39.78 35.18 3kvg n ASN 38 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kvg n ASP 39 N -2.97 -5.69 -4.18 6.41 8.00 -1.26 -4.99 116.55 111.87 3kvg n ASP 39 Ca -0.07 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.43 3kvg n ASP 39 Cb 0.58 -4.82 -0.10 0.00 -0.02 0.00 0.00 41.12 36.76 3kvg n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kvg s THR 40 N -2.93 0.23 -0.07 -3.53 -4.23 -1.02 -5.15 115.64 98.93 3kvg s THR 40 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 3kvg s THR 40 Cb 0.00 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 3kvg s THR 40 CO 0.00 0.00 0.47 -0.69 -0.54 0.00 0.00 174.62 173.86 3kvg s VAL 41 N -3.93 5.10 0.00 2.29 1.01 -1.26 -1.53 120.40 122.08 3kvg s VAL 41 Ca 0.38 0.96 0.08 0.00 0.00 0.00 0.00 61.98 63.41 3kvg s VAL 41 Cb 0.07 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3kvg s VAL 41 CO 0.14 0.41 -0.26 -1.81 0.00 0.00 0.00 175.10 173.58 3kvg s ASP 42 N 0.03 3.09 -0.21 3.32 1.11 0.20 -4.92 116.67 119.29 3kvg s ASP 42 Ca 0.26 -0.51 -0.14 0.00 0.18 0.00 0.00 52.55 52.34 3kvg s ASP 42 Cb -0.16 -0.33 -0.04 0.00 1.07 0.00 0.00 42.92 43.46 3kvg s ASP 42 CO 0.12 0.30 0.31 -0.63 1.18 0.00 0.00 175.17 176.45 3kvg s ILE 43 N -0.67 5.26 -0.19 0.77 -1.09 -1.26 -0.46 121.20 123.55 3kvg s ILE 43 Ca 0.11 0.53 -0.29 0.00 -2.23 0.00 0.00 60.65 58.76 3kvg s ILE 43 Cb -0.10 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 3kvg s ILE 43 CO -0.00 0.29 1.46 -0.69 -1.23 0.00 0.00 174.94 174.77 3kvg s VAL 44 N 1.16 3.93 0.36 2.92 1.01 -0.45 -4.98 120.40 124.35 3kvg s VAL 44 Ca 0.15 1.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.96 3kvg s VAL 44 Cb -0.14 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3kvg s VAL 44 CO 0.06 -0.25 1.00 -2.16 0.00 0.00 0.00 175.10 173.76 3kvg s PRO 45 N 4.14 4.36 0.31 2.72 0.05 -1.26 -4.56 135.00 140.76 3kvg s PRO 45 Ca 0.64 1.43 -0.03 0.00 0.05 0.00 0.00 61.00 63.09 3kvg s PRO 45 Cb -0.24 -2.65 0.07 0.00 0.05 0.00 0.00 34.50 31.72 3kvg s PRO 45 CO 0.24 0.05 0.42 0.27 0.05 0.00 0.00 177.00 178.03 3kvg n ASN 46 N 0.21 0.27 0.03 6.66 0.23 0.72 -4.89 115.26 118.49 3kvg n ASN 46 Ca 0.04 -1.30 0.04 0.00 -0.53 0.00 0.00 54.58 52.83 3kvg n ASN 46 Cb 0.50 -0.30 0.19 0.00 -2.08 0.00 0.00 39.78 38.09 3kvg n ASN 46 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3kvg n ASP 47 N -3.13 0.12 -0.85 0.53 5.75 -1.26 -1.53 116.55 116.17 3kvg n ASP 47 Ca 0.06 0.55 0.08 0.00 -0.01 0.00 0.00 54.79 55.47 3kvg n ASP 47 Cb 0.21 -0.56 0.16 0.00 -1.03 0.00 0.00 41.12 39.90 3kvg n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kvg n GLN 48 N -1.65 2.19 -1.03 0.11 1.13 -1.26 -4.97 117.38 111.91 3kvg n GLN 48 Ca 0.01 -1.99 -0.01 0.00 -1.94 0.00 0.00 57.00 53.07 3kvg n GLN 48 Cb 0.06 -1.37 -0.00 0.00 0.11 0.00 0.00 30.24 29.04 3kvg n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kvg n GLY 49 N 1.01 0.47 3.89 1.08 0.00 -0.58 -5.04 105.19 106.01 3kvg n GLY 49 Ca 0.14 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3kvg n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kvg s ASN 50 N -2.22 6.29 0.00 1.61 0.01 -1.26 -4.76 114.94 114.61 3kvg s ASN 50 Ca 0.00 0.34 0.29 0.00 -0.71 0.00 0.00 52.86 52.78 3kvg s ASN 50 Cb 0.00 -1.97 1.27 0.00 0.41 0.00 0.00 41.25 40.96 3kvg s ASN 50 CO 0.00 0.29 1.89 0.54 -1.51 0.00 0.00 177.10 178.31 3kvg n ARG 51 N 1.14 0.55 -4.41 -0.60 3.00 -1.26 -0.20 116.66 114.88 3kvg n ARG 51 Ca -0.13 -0.15 -0.23 0.00 -0.01 0.00 0.00 57.85 57.34 3kvg n ARG 51 Cb 0.53 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 31.36 3kvg n ARG 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3kvg s THR 52 N -2.55 1.43 -0.08 0.55 -4.23 -1.26 -4.48 115.64 105.02 3kvg s THR 52 Ca 0.27 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 3kvg s THR 52 Cb 0.20 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.75 3kvg s THR 52 CO 0.49 0.03 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.51 3kvg s THR 53 N -0.96 1.69 0.25 3.99 2.01 0.29 -4.92 115.64 118.00 3kvg s THR 53 Ca 0.04 -0.82 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 3kvg s THR 53 Cb -0.09 -1.47 -0.13 0.00 0.01 0.00 0.00 72.50 70.82 3kvg s THR 53 CO 0.02 0.48 1.45 -2.65 -0.69 0.00 0.00 174.62 173.23 3kvg n PRO 54 N 3.47 2.19 -1.43 4.92 -0.02 -1.26 -0.07 135.00 142.79 3kvg n PRO 54 Ca -0.20 0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 3kvg n PRO 54 Cb 0.52 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3kvg n PRO 54 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kvg n SER 55 N 2.18 7.59 -4.26 2.55 7.64 0.13 -3.80 113.62 125.65 3kvg n SER 55 Ca 0.11 -2.65 -0.26 0.00 1.01 0.00 0.00 58.87 57.08 3kvg n SER 55 Cb 0.33 -1.58 -0.14 0.00 -1.01 0.00 0.00 64.21 61.80 3kvg n SER 55 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kvg s TYR 56 N 2.35 1.86 0.02 1.43 1.51 -1.26 -4.27 117.35 119.00 3kvg s TYR 56 Ca 0.64 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.34 3kvg s TYR 56 Cb 0.17 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 3kvg s TYR 56 CO -0.07 0.09 -0.05 0.08 -1.11 0.00 0.00 175.55 174.49 3kvg s VAL 57 N -0.79 0.37 0.00 0.71 1.01 -0.46 -0.75 120.40 120.49 3kvg s VAL 57 Ca 0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3kvg s VAL 57 Cb -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 3kvg s VAL 57 CO 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 175.10 174.87 3kvg s ALA 58 N -0.97 -0.01 -0.07 5.51 0.00 0.20 0.07 121.76 126.49 3kvg s ALA 58 Ca -0.07 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.71 3kvg s ALA 58 Cb -0.07 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3kvg s ALA 58 CO -0.00 -0.09 -0.24 -0.06 0.00 0.00 0.00 175.76 175.36 3kvg s PHE 59 N -0.72 2.46 0.43 0.00 0.08 -0.41 -0.40 117.98 119.42 3kvg s PHE 59 Ca -0.08 -0.84 0.02 0.00 0.12 0.00 0.00 56.93 56.16 3kvg s PHE 59 Cb -0.05 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3kvg s PHE 59 CO -0.00 -0.29 0.07 0.25 -0.10 0.00 0.00 175.22 175.15 3kvg n THR 60 N 3.16 0.00 0.40 0.64 -2.24 -0.18 -4.77 114.28 111.29 3kvg n THR 60 Ca -0.18 -2.26 0.12 0.00 -2.27 0.00 0.00 64.05 59.47 3kvg n THR 60 Cb 0.52 0.64 0.50 0.00 -2.10 0.00 0.00 70.33 69.90 3kvg n THR 60 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kvg h GLU 61 N 0.00 0.00 0.00 -0.78 3.07 -1.93 -0.86 114.58 114.08 3kvg h GLU 61 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 3kvg h GLU 61 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3kvg h GLU 61 CO 0.56 0.00 -0.44 0.25 -1.40 0.00 0.00 179.01 177.98 3kvg n THR 62 N -2.31 0.00 -3.92 1.13 -2.24 -1.26 -3.97 114.28 101.71 3kvg n THR 62 Ca 0.02 -0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 3kvg n THR 62 Cb 0.24 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3kvg n THR 62 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3kvg s GLU 63 N -1.06 1.69 -0.05 -0.78 -1.05 -1.25 -5.01 118.70 111.20 3kvg s GLU 63 Ca 0.00 -1.12 0.07 0.00 -0.15 0.00 0.00 54.97 53.77 3kvg s GLU 63 Cb 0.00 0.55 -0.01 0.00 -0.44 0.00 0.00 34.13 34.22 3kvg s GLU 63 CO 0.00 -0.75 -0.25 -0.98 0.95 0.00 0.00 175.26 174.23 3kvg s ARG 64 N -3.93 2.41 0.03 -4.83 3.03 -1.26 -1.01 118.95 113.39 3kvg s ARG 64 Ca 0.16 -0.91 0.08 0.00 2.03 0.00 0.00 55.73 57.10 3kvg s ARG 64 Cb -0.04 -2.13 -0.03 0.00 -1.03 0.00 0.00 34.95 31.72 3kvg s ARG 64 CO 0.08 0.45 -0.22 -0.51 -1.13 0.00 0.00 175.30 173.97 3kvg s LEU 65 N -0.33 2.37 0.05 -1.89 1.43 0.46 -4.95 118.68 115.82 3kvg s LEU 65 Ca 0.01 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 3kvg s LEU 65 Cb -0.12 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 3kvg s LEU 65 CO 0.02 0.27 -0.14 -0.51 0.23 0.00 0.00 176.35 176.22 3kvg s ILE 66 N -0.83 1.06 0.00 -0.59 1.10 -1.26 -0.63 121.20 120.04 3kvg s ILE 66 Ca 0.13 -1.09 0.00 0.00 -0.51 0.00 0.00 60.65 59.17 3kvg s ILE 66 Cb -0.10 -0.99 0.00 0.00 0.15 0.00 0.00 42.46 41.52 3kvg s ILE 66 CO 0.03 -0.10 0.00 0.61 -2.11 0.00 0.00 174.94 173.37 3kvg n GLY 67 N 1.68 1.86 0.29 1.50 0.00 0.07 -3.63 105.19 106.96 3kvg n GLY 67 Ca -0.19 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 3kvg n GLY 67 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kvg h ASP 68 N 1.98 0.73 -0.78 1.61 3.32 -1.90 -0.16 116.42 121.22 3kvg h ASP 68 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kvg h ASP 68 Cb 0.00 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3kvg h ASP 68 CO 0.00 0.47 0.49 0.00 -1.72 0.00 0.00 179.24 178.48 3kvg h ALA 69 N 1.37 1.40 -0.01 3.45 0.00 -1.96 0.09 119.26 123.60 3kvg h ALA 69 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3kvg h ALA 69 Cb 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kvg h ALA 69 CO -0.17 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 3kvg h ALA 70 N 1.48 0.02 -0.83 0.00 0.00 -1.53 -3.29 119.26 115.11 3kvg h ALA 70 Ca 0.28 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kvg h ALA 70 Cb -0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3kvg h ALA 70 CO -0.06 -0.16 0.42 -0.22 0.00 0.00 0.00 179.25 179.23 3kvg h LYS 71 N -0.56 1.18 0.00 0.00 3.64 -0.81 -2.96 116.57 117.06 3kvg h LYS 71 Ca -0.00 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3kvg h LYS 71 Cb 0.64 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3kvg h LYS 71 CO 0.01 0.89 -0.22 -0.91 -2.27 0.00 0.00 179.45 176.95 3kvg h ASN 72 N 1.18 0.00 -0.63 4.20 2.35 -1.08 -2.94 115.58 118.65 3kvg h ASN 72 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3kvg h ASN 72 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3kvg h ASN 72 CO -0.04 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 175.96 3kvg n GLN 73 N -3.68 2.93 -0.25 0.81 -0.00 -1.12 -4.59 117.38 111.48 3kvg n GLN 73 Ca -0.01 -2.46 0.02 0.00 -0.00 0.00 0.00 57.00 54.54 3kvg n GLN 73 Cb 0.34 -1.65 0.15 0.00 -0.00 0.00 0.00 30.24 29.07 3kvg n GLN 73 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 3kvg h VAL 74 N 3.79 0.85 -0.40 -0.39 3.04 -1.52 -2.32 116.25 119.31 3kvg h VAL 74 Ca 0.00 -0.22 -0.05 0.00 -1.01 0.00 0.00 66.70 65.43 3kvg h VAL 74 Cb 1.08 0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 3kvg h VAL 74 CO 0.09 0.12 0.05 0.00 -1.01 0.00 0.00 177.57 176.82 3kvg h ALA 75 N 1.44 1.34 0.00 3.17 0.00 -1.85 -2.34 119.26 121.02 3kvg h ALA 75 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kvg h ALA 75 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kvg h ALA 75 CO -0.27 0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.32 3kvg h ARG 76 N 0.59 0.00 -1.09 0.00 3.08 -1.77 -3.40 114.38 111.80 3kvg h ARG 76 Ca 0.13 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.80 3kvg h ARG 76 Cb 0.30 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.06 3kvg h ARG 76 CO 0.00 0.00 -0.84 -1.71 -1.07 0.00 0.00 179.97 176.35 3kvg n ASN 77 N -2.68 -0.82 -0.11 7.04 5.15 -0.92 -5.04 115.26 117.88 3kvg n ASN 77 Ca 0.04 -3.21 -0.06 0.00 -0.60 0.00 0.00 54.58 50.75 3kvg n ASN 77 Cb 0.49 0.53 0.12 0.00 -0.53 0.00 0.00 39.78 40.38 3kvg n ASN 77 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3kvg h PRO 78 N 3.33 0.81 0.00 1.20 0.13 -1.64 -3.04 132.00 132.80 3kvg h PRO 78 Ca -0.00 -0.27 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 3kvg h PRO 78 Cb 1.00 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3kvg h PRO 78 CO 0.35 0.87 -0.28 0.93 -0.23 0.00 0.00 178.00 179.65 3kvg h GLU 79 N 0.73 0.00 -0.28 0.86 5.08 -1.89 -3.21 114.58 115.87 3kvg h GLU 79 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3kvg h GLU 79 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kvg h GLU 79 CO 0.04 0.28 0.00 0.09 -1.00 0.00 0.00 179.01 178.42 3kvg n ASN 80 N -3.81 3.06 -4.37 1.42 3.02 -1.21 -4.25 115.26 109.11 3kvg n ASN 80 Ca -0.01 -2.28 -0.39 0.00 -0.03 0.00 0.00 54.58 51.86 3kvg n ASN 80 Cb 0.37 -0.29 -0.12 0.00 -0.61 0.00 0.00 39.78 39.13 3kvg n ASN 80 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kvg s THR 81 N -1.50 4.42 -0.14 3.41 2.01 -1.15 -1.29 115.64 121.41 3kvg s THR 81 Ca 0.26 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 3kvg s THR 81 Cb 0.17 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3kvg s THR 81 CO 0.12 -0.13 0.10 -0.69 -0.69 0.00 0.00 174.62 173.33 3kvg s VAL 82 N 1.54 5.15 0.30 3.82 1.01 0.11 -4.66 120.40 127.67 3kvg s VAL 82 Ca 0.02 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 3kvg s VAL 82 Cb -0.19 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3kvg s VAL 82 CO 0.06 0.56 0.52 0.72 0.00 0.00 0.00 175.10 176.95 3kvg s PHE 83 N -0.50 0.58 -1.63 5.22 -0.12 -1.26 -1.35 117.98 118.92 3kvg s PHE 83 Ca 0.11 -0.94 0.00 0.00 -0.05 0.00 0.00 56.93 56.05 3kvg s PHE 83 Cb -0.12 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 3kvg s PHE 83 CO 0.02 -1.12 0.00 -0.25 -0.05 0.00 0.00 175.22 173.82 3kvg n ASP 84 N -0.89 -5.31 0.29 1.98 8.00 -1.26 -4.87 116.55 114.50 3kvg n ASP 84 Ca -0.02 0.09 0.15 0.00 0.71 0.00 0.00 54.79 55.73 3kvg n ASP 84 Cb 0.61 -4.47 0.91 0.00 -0.02 0.00 0.00 41.12 38.15 3kvg n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kvg h ALA 85 N 0.91 1.47 0.00 2.24 0.00 -1.87 -1.41 119.26 120.61 3kvg h ALA 85 Ca -0.43 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3kvg h ALA 85 Cb 1.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3kvg h ALA 85 CO 0.52 0.02 -0.22 -0.22 0.00 0.00 0.00 179.25 179.36 3kvg h LYS 86 N 0.00 0.00 0.00 0.00 3.64 -1.89 0.83 116.57 119.15 3kvg h LYS 86 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kvg h LYS 86 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3kvg h LYS 86 CO 0.00 0.22 0.00 0.54 -2.27 0.00 0.00 179.45 177.94 3kvg n ARG 87 N -4.00 0.17 -0.05 1.90 1.74 -0.53 -3.82 116.66 112.07 3kvg n ARG 87 Ca -0.02 0.23 -0.05 0.00 -0.77 0.00 0.00 57.85 57.24 3kvg n ARG 87 Cb 0.30 -1.73 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 3kvg n ARG 87 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kvg n LEU 88 N -2.03 0.43 -4.66 0.55 7.94 -0.66 -4.84 117.00 113.74 3kvg n LEU 88 Ca 0.05 -0.01 -0.51 0.00 -1.11 0.00 0.00 56.01 54.43 3kvg n LEU 88 Cb 0.34 0.14 -0.06 0.00 0.53 0.00 0.00 43.42 44.37 3kvg n LEU 88 CO 0.25 0.30 1.20 0.00 -1.11 0.00 0.00 177.39 178.04 3kvg n ILE 89 N -2.42 0.20 -0.96 1.96 3.06 0.20 -2.09 119.36 119.30 3kvg n ILE 89 Ca -0.16 -0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 3kvg n ILE 89 Cb 0.79 -1.32 0.00 0.00 0.54 0.00 0.00 39.64 39.65 3kvg n ILE 89 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kvg n GLY 90 N 3.55 0.22 3.97 4.50 0.00 -1.26 -4.61 105.19 111.55 3kvg n GLY 90 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 3kvg n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kvg s ARG 91 N -1.15 2.96 0.06 1.61 0.52 -0.89 -4.02 118.95 118.04 3kvg s ARG 91 Ca 0.00 -1.14 -0.04 0.00 -0.52 0.00 0.00 55.73 54.03 3kvg s ARG 91 Cb 0.00 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 3kvg s ARG 91 CO 0.00 -0.03 0.28 0.15 0.02 0.00 0.00 175.30 175.72 3kvg s LYS 92 N -4.19 3.55 0.25 3.54 1.02 -1.26 -4.43 119.74 118.22 3kvg s LYS 92 Ca 0.47 -0.18 -0.04 0.00 0.02 0.00 0.00 55.97 56.24 3kvg s LYS 92 Cb -0.09 -3.00 0.41 0.00 -0.52 0.00 0.00 37.83 34.63 3kvg s LYS 92 CO 0.31 0.59 1.80 0.35 -0.92 0.00 0.00 175.35 177.48 3kvg h PHE 93 N 3.40 0.83 -0.07 3.18 3.57 -0.77 -2.64 116.94 124.43 3kvg h PHE 93 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3kvg h PHE 93 Cb 1.18 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3kvg h PHE 93 CO 0.64 0.32 0.00 -0.40 -2.23 0.00 0.00 178.31 176.64 3kvg n ASP 94 N -4.76 0.49 -4.73 0.41 5.68 -1.26 -4.35 116.55 108.02 3kvg n ASP 94 Ca 0.14 -1.78 -0.42 0.00 -0.50 0.00 0.00 54.79 52.23 3kvg n ASP 94 Cb 0.29 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.20 3kvg n ASP 94 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3kvg s ASP 95 N -1.25 6.57 0.26 -1.12 1.11 -1.00 -4.86 116.67 116.37 3kvg s ASP 95 Ca 0.16 2.71 -0.02 0.00 0.18 0.00 0.00 52.55 55.58 3kvg s ASP 95 Cb 0.08 -2.61 0.47 0.00 1.07 0.00 0.00 42.92 41.93 3kvg s ASP 95 CO 0.12 -0.80 1.82 -0.61 1.18 0.00 0.00 175.17 176.88 3kvg h GLN 96 N 5.75 0.85 -0.56 8.23 5.75 -1.91 -0.48 115.11 132.74 3kvg h GLN 96 Ca -0.45 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.04 3kvg h GLN 96 Cb 1.21 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.53 3kvg h GLN 96 CO 0.84 0.56 0.31 0.00 -2.65 0.00 0.00 178.83 177.89 3kvg h ALA 97 N 1.50 0.72 0.14 3.38 0.00 -1.97 0.13 119.26 123.17 3kvg h ALA 97 Ca 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 3kvg h ALA 97 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kvg h ALA 97 CO -0.26 -0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.19 3kvg h VAL 98 N 0.59 0.96 -0.91 0.00 2.07 -1.64 -1.17 116.25 116.15 3kvg h VAL 98 Ca 0.24 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.40 3kvg h VAL 98 Cb 0.11 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3kvg h VAL 98 CO -0.14 0.10 0.59 1.56 0.02 0.00 0.00 177.57 179.70 3kvg h GLN 99 N -0.40 0.98 -0.15 1.57 1.08 -0.83 -0.90 115.11 116.46 3kvg h GLN 99 Ca -0.02 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 3kvg h GLN 99 Cb 0.32 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3kvg h GLN 99 CO 0.03 0.65 -0.08 1.03 -0.95 0.00 0.00 178.83 179.51 3kvg h SER 100 N 1.00 0.32 -0.93 1.46 0.87 -0.62 -3.24 113.55 112.42 3kvg h SER 100 Ca 0.40 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3kvg h SER 100 Cb 0.25 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 3kvg h SER 100 CO -0.16 0.67 0.56 0.44 -0.53 0.00 0.00 176.83 177.82 3kvg h ASP 101 N -0.03 1.11 -0.73 6.23 3.32 -0.75 -2.95 116.42 122.62 3kvg h ASP 101 Ca 0.03 -0.07 0.16 0.00 0.02 0.00 0.00 57.03 57.17 3kvg h ASP 101 Cb 0.55 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3kvg h ASP 101 CO 0.02 0.85 0.49 0.24 -1.72 0.00 0.00 179.24 179.13 3kvg h MET 102 N 1.28 0.32 0.00 3.56 2.86 -1.20 -1.59 114.93 120.16 3kvg h MET 102 Ca 0.33 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3kvg h MET 102 Cb -0.06 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.53 3kvg h MET 102 CO -0.06 0.21 0.00 1.79 1.06 0.00 0.00 176.91 179.91 3kvg h THR 103 N 0.33 0.00 -0.28 2.22 1.35 -1.59 -2.73 112.91 112.21 3kvg h THR 103 Ca 0.36 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3kvg h THR 103 Cb 0.92 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3kvg h THR 103 CO -0.10 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.58 3kvg n HIS 104 N -3.06 0.36 -4.01 4.73 8.25 -0.60 -4.97 115.22 115.92 3kvg n HIS 104 Ca -0.01 -0.26 -0.34 0.00 -0.26 0.00 0.00 57.72 56.85 3kvg n HIS 104 Cb 0.22 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 3kvg n HIS 104 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kvg s TRP 105 N -1.19 3.25 -0.67 4.41 0.51 -1.03 -5.00 118.94 119.22 3kvg s TRP 105 Ca 0.27 0.08 0.26 0.00 -2.12 0.00 0.00 56.10 54.59 3kvg s TRP 105 Cb 0.16 -2.07 0.82 0.00 -0.81 0.00 0.00 33.47 31.57 3kvg s TRP 105 CO 0.22 0.17 1.76 -1.00 -0.51 0.00 0.00 176.95 177.59 3kvg h PRO 106 N 6.64 0.00 -6.57 4.98 0.14 -1.87 -3.45 132.00 131.87 3kvg h PRO 106 Ca -0.37 0.00 -0.52 0.00 0.14 0.00 0.00 66.00 65.25 3kvg h PRO 106 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.28 3kvg h PRO 106 CO 0.70 0.00 0.03 -0.59 0.14 0.00 0.00 178.00 178.28 3kvg s PHE 107 N -3.15 3.48 0.04 1.56 -0.12 -1.26 -4.32 117.98 114.22 3kvg s PHE 107 Ca 0.09 1.16 -0.28 0.00 -0.05 0.00 0.00 56.93 57.85 3kvg s PHE 107 Cb 0.11 -2.47 -0.05 0.00 -0.63 0.00 0.00 43.02 39.99 3kvg s PHE 107 CO 0.57 0.24 0.91 0.21 -0.05 0.00 0.00 175.22 177.09 3kvg s LYS 108 N -2.56 4.59 -0.14 1.99 2.20 -1.24 -4.98 119.74 119.59 3kvg s LYS 108 Ca 0.48 1.31 0.02 0.00 -0.36 0.00 0.00 55.97 57.42 3kvg s LYS 108 Cb -0.13 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 3kvg s LYS 108 CO 0.19 0.12 -0.19 0.08 -0.36 0.00 0.00 175.35 175.19 3kvg s VAL 109 N 0.43 1.89 0.34 4.02 1.01 -1.26 0.04 120.40 126.87 3kvg s VAL 109 Ca 0.46 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3kvg s VAL 109 Cb -0.21 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 3kvg s VAL 109 CO 0.27 0.52 -0.08 0.68 0.00 0.00 0.00 175.10 176.48 3kvg s VAL 110 N 1.04 2.13 -0.14 2.92 -7.23 0.33 -4.93 120.40 114.52 3kvg s VAL 110 Ca -0.03 -2.17 -0.26 0.00 -1.81 0.00 0.00 61.98 57.71 3kvg s VAL 110 Cb -0.15 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 3kvg s VAL 110 CO -0.05 -0.19 0.86 -0.60 -0.31 0.00 0.00 175.10 174.81 3kvg s ARG 111 N -3.64 4.35 0.45 4.82 3.52 -1.26 -1.09 118.95 126.10 3kvg s ARG 111 Ca 0.32 1.10 0.07 0.00 -0.13 0.00 0.00 55.73 57.10 3kvg s ARG 111 Cb 0.03 -3.55 0.07 0.00 -1.56 0.00 0.00 34.95 29.95 3kvg s ARG 111 CO 0.16 -0.27 0.61 0.41 -0.81 0.00 0.00 175.30 175.40 3kvg n GLY 112 N 3.31 1.99 3.75 8.12 0.00 0.11 -4.92 105.19 117.56 3kvg n GLY 112 Ca 0.05 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 3kvg n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kvg s PRO 113 N -4.02 2.56 -1.63 1.61 0.02 -1.26 -3.22 135.00 129.06 3kvg s PRO 113 Ca 0.46 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.07 3kvg s PRO 113 Cb -0.04 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3kvg s PRO 113 CO 0.29 -1.47 0.00 1.63 -0.33 0.00 0.00 177.00 177.12 3kvg n LYS 114 N -2.42 -1.43 -2.25 5.54 5.02 -1.26 -3.00 118.16 118.37 3kvg n LYS 114 Ca 0.12 0.93 -0.19 0.00 -2.02 0.00 0.00 58.31 57.15 3kvg n LYS 114 Cb 0.51 -5.41 -0.02 0.00 -0.02 0.00 0.00 35.03 30.09 3kvg n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kvg n ASP 115 N -1.40 -5.39 -4.69 4.39 2.03 -1.20 -4.99 116.55 105.30 3kvg n ASP 115 Ca -0.21 0.05 -0.40 0.00 0.52 0.00 0.00 54.79 54.74 3kvg n ASP 115 Cb 0.65 -4.46 -0.05 0.00 -0.72 0.00 0.00 41.12 36.55 3kvg n ASP 115 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3kvg s LYS 116 N -4.75 4.35 0.37 -0.67 2.47 -1.16 -0.06 119.74 120.29 3kvg s LYS 116 Ca 0.00 0.87 -0.27 0.00 -1.56 0.00 0.00 55.97 55.01 3kvg s LYS 116 Cb 0.00 -3.51 -0.10 0.00 -1.46 0.00 0.00 37.83 32.77 3kvg s LYS 116 CO 0.00 -0.11 1.33 -2.14 0.16 0.00 0.00 175.35 174.59 3kvg s PRO 117 N 1.40 4.14 -0.12 4.03 0.02 -1.26 -0.71 135.00 142.50 3kvg s PRO 117 Ca 0.36 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.62 3kvg s PRO 117 Cb -0.17 -2.91 0.02 0.00 0.02 0.00 0.00 34.50 31.46 3kvg s PRO 117 CO 0.15 -0.38 -0.12 0.42 -0.33 0.00 0.00 177.00 176.74 3kvg s ILE 118 N -1.19 1.33 -0.13 2.83 1.01 -0.25 -4.51 121.20 120.28 3kvg s ILE 118 Ca 0.53 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 3kvg s ILE 118 Cb -0.40 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3kvg s ILE 118 CO 0.52 0.41 0.80 -0.63 0.00 0.00 0.00 174.94 176.04 3kvg s ILE 119 N 1.36 4.93 -0.24 2.92 1.01 0.56 -0.51 121.20 131.23 3kvg s ILE 119 Ca 0.00 1.59 -0.03 0.00 0.00 0.00 0.00 60.65 62.21 3kvg s ILE 119 Cb -0.13 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.23 3kvg s ILE 119 CO -0.06 0.10 -0.04 -0.55 0.00 0.00 0.00 174.94 174.38 3kvg s SER 120 N 1.06 4.35 0.37 3.58 0.15 0.11 -1.36 113.70 121.94 3kvg s SER 120 Ca 0.38 -0.65 0.04 0.00 0.70 0.00 0.00 55.95 56.43 3kvg s SER 120 Cb -0.17 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 3kvg s SER 120 CO 0.15 -0.09 0.15 0.68 1.20 0.00 0.00 173.24 175.33 3kvg s VAL 121 N 1.41 0.50 -0.14 4.45 -7.23 -0.61 -3.69 120.40 115.09 3kvg s VAL 121 Ca 0.03 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 3kvg s VAL 121 Cb -0.16 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3kvg s VAL 121 CO -0.04 0.00 -0.06 0.20 -0.31 0.00 0.00 175.10 174.90 3kvg s ASN 122 N -3.51 4.64 -0.13 4.85 0.01 -1.26 -0.33 114.94 119.20 3kvg s ASN 122 Ca 0.30 -0.15 -0.05 0.00 -0.71 0.00 0.00 52.86 52.25 3kvg s ASN 122 Cb 0.04 -1.66 0.06 0.00 0.41 0.00 0.00 41.25 40.10 3kvg s ASN 122 CO 0.17 0.20 0.28 -0.47 -1.51 0.00 0.00 177.10 175.77 3kvg s TYR 123 N 0.17 -0.44 -1.46 2.20 5.04 -0.15 -4.37 117.35 118.34 3kvg s TYR 123 Ca -0.03 0.99 -0.10 0.00 -2.44 0.00 0.00 57.07 55.50 3kvg s TYR 123 Cb -0.14 0.05 0.06 0.00 0.35 0.00 0.00 41.96 42.27 3kvg s TYR 123 CO 0.03 -0.33 0.94 1.28 -1.34 0.00 0.00 175.55 176.14 3kvg n LEU 124 N 4.91 -2.80 -0.71 6.97 4.77 -0.33 -2.30 117.00 127.51 3kvg n LEU 124 Ca -0.14 -0.76 -0.09 0.00 -0.03 0.00 0.00 56.01 54.99 3kvg n LEU 124 Cb 0.51 -2.65 -0.04 0.00 -2.33 0.00 0.00 43.42 38.91 3kvg n LEU 124 CO 0.06 0.48 -0.09 0.61 -1.33 0.00 0.00 177.39 177.12 3kvg n GLY 125 N -1.69 1.09 3.05 -0.72 0.00 -1.26 -4.99 105.19 100.67 3kvg n GLY 125 Ca -0.05 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 3kvg n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kvg s GLU 126 N -2.75 0.48 0.10 1.61 2.02 -0.97 -5.13 118.70 114.06 3kvg s GLU 126 Ca 0.00 -0.88 -0.31 0.00 0.02 0.00 0.00 54.97 53.80 3kvg s GLU 126 Cb 0.00 0.17 -0.07 0.00 0.10 0.00 0.00 34.13 34.33 3kvg s GLU 126 CO 0.00 -0.09 1.29 0.15 0.02 0.00 0.00 175.26 176.63 3kvg s LYS 127 N -2.65 4.38 -0.04 1.61 1.02 -1.26 -0.98 119.74 121.81 3kvg s LYS 127 Ca -0.05 1.93 0.03 0.00 0.02 0.00 0.00 55.97 57.90 3kvg s LYS 127 Cb -0.01 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3kvg s LYS 127 CO -0.05 -0.33 -0.14 0.21 -0.92 0.00 0.00 175.35 174.11 3kvg s LYS 128 N 0.97 1.56 -0.08 1.68 2.47 0.55 -4.89 119.74 122.00 3kvg s LYS 128 Ca 0.61 -0.49 -0.01 0.00 -1.56 0.00 0.00 55.97 54.52 3kvg s LYS 128 Cb -0.33 -1.36 -0.03 0.00 -1.46 0.00 0.00 37.83 34.65 3kvg s LYS 128 CO 0.30 0.17 -0.02 -1.21 0.16 0.00 0.00 175.35 174.75 3kvg s GLU 129 N 0.21 2.91 0.01 4.03 2.02 -1.26 -1.57 118.70 125.04 3kvg s GLU 129 Ca -0.06 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.49 3kvg s GLU 129 Cb -0.12 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 3kvg s GLU 129 CO 0.02 0.69 -0.02 -0.06 0.02 0.00 0.00 175.26 175.91 3kvg s PHE 130 N -0.87 0.20 0.60 1.61 0.08 -0.47 -4.97 117.98 114.16 3kvg s PHE 130 Ca 0.13 -0.19 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 3kvg s PHE 130 Cb -0.11 -0.13 -0.02 0.00 -0.57 0.00 0.00 43.02 42.19 3kvg s PHE 130 CO 0.02 -0.06 0.96 -1.01 -0.10 0.00 0.00 175.22 175.03 3kvg s HIS 131 N -0.49 3.45 0.37 0.36 3.76 -1.26 -0.32 115.29 121.16 3kvg s HIS 131 Ca -0.04 0.97 0.05 0.00 -0.15 0.00 0.00 55.06 55.89 3kvg s HIS 131 Cb -0.04 -2.71 0.75 0.00 1.11 0.00 0.00 32.58 31.69 3kvg s HIS 131 CO -0.00 -0.74 2.00 0.00 -0.85 0.00 0.00 174.74 175.15 3kvg h ALA 132 N -0.23 1.67 0.00 -1.40 0.00 -1.91 -1.47 119.26 115.92 3kvg h ALA 132 Ca -0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3kvg h ALA 132 Cb 1.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kvg h ALA 132 CO 0.62 0.26 -0.10 1.05 0.00 0.00 0.00 179.25 181.08 3kvg h GLU 133 N 0.73 0.00 0.02 0.00 9.09 -1.90 -1.31 114.58 121.21 3kvg h GLU 133 Ca 0.25 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.45 3kvg h GLU 133 Cb 0.10 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.19 3kvg h GLU 133 CO -0.07 0.10 -0.95 0.93 0.05 0.00 0.00 179.01 179.07 3kvg h GLU 134 N 0.00 0.17 0.01 1.06 5.08 -1.64 -0.52 114.58 118.75 3kvg h GLU 134 Ca -0.00 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3kvg h GLU 134 Cb 0.57 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3kvg h GLU 134 CO 0.01 0.99 -0.01 0.82 -1.00 0.00 0.00 179.01 179.83 3kvg h ILE 135 N 0.08 1.38 -0.17 3.13 1.08 -1.25 -2.87 117.51 118.89 3kvg h ILE 135 Ca -0.05 -1.21 -0.00 0.00 -0.39 0.00 0.00 64.86 63.20 3kvg h ILE 135 Cb 1.61 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 37.55 3kvg h ILE 135 CO 0.14 0.31 0.08 0.28 -0.69 0.00 0.00 178.15 178.28 3kvg h SER 136 N -0.54 0.20 -0.56 1.72 0.02 -1.30 -1.63 113.55 111.46 3kvg h SER 136 Ca -0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3kvg h SER 136 Cb 0.52 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3kvg h SER 136 CO 0.00 0.18 0.29 0.00 -1.14 0.00 0.00 176.83 176.16 3kvg h ALA 137 N 1.86 1.42 -0.52 3.77 0.00 -1.00 0.53 119.26 125.32 3kvg h ALA 137 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3kvg h ALA 137 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kvg h ALA 137 CO -0.01 0.47 0.07 0.52 0.00 0.00 0.00 179.25 180.29 3kvg h MET 138 N 0.82 0.88 -0.28 0.00 2.07 -1.08 0.19 114.93 117.53 3kvg h MET 138 Ca 0.21 -0.25 -0.05 0.00 -2.07 0.00 0.00 59.70 57.54 3kvg h MET 138 Cb 0.06 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 3kvg h MET 138 CO -0.03 0.87 -0.01 0.28 1.07 0.00 0.00 176.91 179.09 3kvg h VAL 139 N 0.75 1.26 -0.52 -2.22 2.07 -1.26 -2.13 116.25 114.21 3kvg h VAL 139 Ca 0.16 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3kvg h VAL 139 Cb 0.43 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3kvg h VAL 139 CO 0.01 0.30 0.14 -0.07 0.02 0.00 0.00 177.57 177.97 3kvg h LEU 140 N 0.27 0.73 -0.68 2.57 3.38 -0.74 -2.05 115.31 118.80 3kvg h LEU 140 Ca 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3kvg h LEU 140 Cb 0.44 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3kvg h LEU 140 CO 0.02 0.71 0.31 -0.61 0.09 0.00 0.00 178.44 178.96 3kvg h GLN 141 N 0.77 0.99 -0.63 1.13 4.15 -0.48 -0.94 115.11 120.09 3kvg h GLN 141 Ca 0.17 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3kvg h GLN 141 Cb 0.27 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3kvg h GLN 141 CO -0.00 0.79 0.29 -0.22 -1.93 0.00 0.00 178.83 177.76 3kvg h LYS 142 N 0.95 0.89 -0.44 1.69 1.63 -0.85 -0.55 116.57 119.88 3kvg h LYS 142 Ca 0.23 -0.12 -0.12 0.00 -0.85 0.00 0.00 60.65 59.79 3kvg h LYS 142 Cb 0.14 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3kvg h LYS 142 CO -0.03 0.69 -0.21 0.52 -3.45 0.00 0.00 179.45 176.98 3kvg h MET 143 N 0.89 0.88 -0.59 1.90 2.86 -0.82 -2.05 114.93 118.00 3kvg h MET 143 Ca 0.22 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 3kvg h MET 143 Cb 0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3kvg h MET 143 CO -0.03 1.00 0.12 -0.22 1.06 0.00 0.00 176.91 178.84 3kvg h LYS 144 N 0.76 0.96 0.22 1.72 3.64 -0.72 -2.60 116.57 120.56 3kvg h LYS 144 Ca 0.10 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3kvg h LYS 144 Cb 0.75 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3kvg h LYS 144 CO 0.06 0.90 -0.11 0.93 -2.27 0.00 0.00 179.45 178.96 3kvg h GLU 145 N 0.86 -0.29 -0.49 1.90 5.08 -0.89 -1.25 114.58 119.50 3kvg h GLU 145 Ca 0.18 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3kvg h GLU 145 Cb 0.39 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3kvg h GLU 145 CO 0.01 -0.03 0.21 -0.84 -1.00 0.00 0.00 179.01 177.36 3kvg h ILE 146 N -0.52 1.18 -0.52 3.13 3.07 -1.44 -0.83 117.51 121.57 3kvg h ILE 146 Ca -0.03 -0.53 -0.13 0.00 1.55 0.00 0.00 64.86 65.73 3kvg h ILE 146 Cb 0.39 0.57 -0.02 0.00 -0.27 0.00 0.00 36.82 37.50 3kvg h ILE 146 CO 0.05 0.21 -0.16 0.28 -1.05 0.00 0.00 178.15 177.48 3kvg h SER 147 N 0.69 1.04 -0.48 2.16 0.02 -1.38 0.29 113.55 115.90 3kvg h SER 147 Ca 0.17 -0.37 -0.10 0.00 -0.84 0.00 0.00 61.79 60.64 3kvg h SER 147 Cb 0.11 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3kvg h SER 147 CO -0.02 1.18 -0.10 -0.33 -1.14 0.00 0.00 176.83 176.42 3kvg h GLU 148 N 0.90 0.91 -0.32 3.45 5.08 -0.83 0.48 114.58 124.25 3kvg h GLU 148 Ca 0.13 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3kvg h GLU 148 Cb 0.74 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3kvg h GLU 148 CO 0.06 0.99 0.10 0.00 -1.00 0.00 0.00 179.01 179.16 3kvg h ALA 149 N 0.89 0.41 -0.51 3.43 0.00 -1.03 0.73 119.26 123.18 3kvg h ALA 149 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kvg h ALA 149 Cb 0.65 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3kvg h ALA 149 CO 0.04 0.05 0.16 -0.92 0.00 0.00 0.00 179.25 178.58 3kvg h TYR 150 N 0.35 0.81 0.00 0.00 3.20 -0.80 -3.11 116.97 117.43 3kvg h TYR 150 Ca 0.10 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3kvg h TYR 150 Cb 0.24 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3kvg h TYR 150 CO 0.01 0.70 -0.49 1.28 -1.64 0.00 0.00 178.16 178.02 3kvg n LEU 151 N -4.50 0.68 -1.63 2.82 4.77 0.15 -4.97 117.00 114.32 3kvg n LEU 151 Ca 0.02 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 3kvg n LEU 151 Cb 0.19 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3kvg n LEU 151 CO 0.39 -0.06 -0.13 0.61 -1.33 0.00 0.00 177.39 176.87 3kvg n GLY 152 N 1.35 -0.16 3.62 -0.72 0.00 0.22 -5.00 105.19 104.49 3kvg n GLY 152 Ca 0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 3kvg n GLY 152 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kvg s ARG 153 N -4.80 1.51 0.29 1.61 1.70 -1.04 -5.05 118.95 113.17 3kvg s ARG 153 Ca 0.04 -0.70 -0.29 0.00 -0.47 0.00 0.00 55.73 54.31 3kvg s ARG 153 Cb -0.02 0.60 -0.10 0.00 -0.57 0.00 0.00 34.95 34.86 3kvg s ARG 153 CO 0.05 -0.68 1.41 -1.14 -1.08 0.00 0.00 175.30 173.87 3kvg s GLN 154 N -3.83 4.26 -0.04 3.89 0.74 -1.26 -4.37 119.66 119.06 3kvg s GLN 154 Ca 0.05 2.33 0.04 0.00 0.05 0.00 0.00 55.36 57.83 3kvg s GLN 154 Cb -0.03 -3.07 -0.00 0.00 1.10 0.00 0.00 33.01 31.00 3kvg s GLN 154 CO -0.04 -0.38 -0.16 0.42 -0.55 0.00 0.00 175.29 174.58 3kvg s ILE 155 N -0.49 1.37 0.00 -2.34 1.01 -1.26 -4.66 121.20 114.83 3kvg s ILE 155 Ca 0.56 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3kvg s ILE 155 Cb -0.42 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 40.87 3kvg s ILE 155 CO 0.49 0.40 0.00 0.29 0.00 0.00 0.00 174.94 176.12 3kvg n LYS 156 N 3.11 0.00 -2.05 2.79 5.02 -1.26 -4.92 118.16 120.85 3kvg n LYS 156 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 3kvg n LYS 156 Cb 0.53 -0.33 -0.03 0.00 -0.02 0.00 0.00 35.03 35.18 3kvg n LYS 156 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kvg s ASN 157 N -4.25 6.71 0.06 4.39 0.01 -1.26 -0.18 114.94 120.41 3kvg s ASN 157 Ca 0.00 2.39 -0.12 0.00 -0.71 0.00 0.00 52.86 54.42 3kvg s ASN 157 Cb 0.00 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 3kvg s ASN 157 CO 0.00 -0.78 0.26 0.00 -1.51 0.00 0.00 177.10 175.07 3kvg s ALA 158 N 1.93 -0.51 -0.15 0.60 0.00 -0.34 -1.29 121.76 121.99 3kvg s ALA 158 Ca 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3kvg s ALA 158 Cb -0.38 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 3kvg s ALA 158 CO 0.30 -0.45 -0.15 0.08 0.00 0.00 0.00 175.76 175.55 3kvg s VAL 159 N -2.99 2.70 -0.10 0.00 1.01 -0.74 -0.60 120.40 119.68 3kvg s VAL 159 Ca -0.02 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3kvg s VAL 159 Cb 0.01 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3kvg s VAL 159 CO -0.06 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.70 3kvg s VAL 160 N 0.76 2.75 0.31 2.92 1.01 -1.07 -0.81 120.40 126.27 3kvg s VAL 160 Ca -0.06 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3kvg s VAL 160 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3kvg s VAL 160 CO 0.01 0.55 0.54 0.42 0.00 0.00 0.00 175.10 176.62 3kvg s THR 161 N 0.02 5.08 0.05 3.92 -4.23 -0.82 -2.37 115.64 117.30 3kvg s THR 161 Ca -0.06 -0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 60.15 3kvg s THR 161 Cb -0.15 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 3kvg s THR 161 CO 0.05 -0.44 0.10 0.68 -0.54 0.00 0.00 174.62 174.47 3kvg s VAL 162 N -2.20 0.15 0.58 2.29 -7.23 -0.39 -4.35 120.40 109.25 3kvg s VAL 162 Ca 0.41 -1.22 -0.20 0.00 -1.81 0.00 0.00 61.98 59.16 3kvg s VAL 162 Cb -0.10 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 3kvg s VAL 162 CO 0.33 -0.67 1.32 -2.84 -0.31 0.00 0.00 175.10 172.93 3kvg s PRO 163 N -3.10 2.92 0.54 4.82 0.02 -1.26 -0.43 135.00 138.52 3kvg s PRO 163 Ca -0.01 2.14 0.22 0.00 0.02 0.00 0.00 61.00 63.37 3kvg s PRO 163 Cb 0.02 -2.09 1.41 0.00 0.02 0.00 0.00 34.50 33.86 3kvg s PRO 163 CO -0.07 -1.33 2.09 0.00 -0.33 0.00 0.00 177.00 177.36 3kvg h ALA 164 N 1.09 2.12 0.00 -1.55 0.00 -1.94 -1.88 119.26 117.10 3kvg h ALA 164 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kvg h ALA 164 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kvg h ALA 164 CO 0.56 -0.29 0.00 2.48 0.00 0.00 0.00 179.25 182.00 3kvg n TYR 165 N -4.32 0.00 -1.82 0.00 0.18 -1.26 -4.89 117.16 105.05 3kvg n TYR 165 Ca 0.02 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.39 3kvg n TYR 165 Cb 0.32 -0.34 -0.02 0.00 -0.38 0.00 0.00 39.34 38.91 3kvg n TYR 165 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3kvg s PHE 166 N -2.69 2.82 0.72 -3.48 0.40 -0.71 -5.02 117.98 110.01 3kvg s PHE 166 Ca 0.24 0.80 -0.09 0.00 -0.60 0.00 0.00 56.93 57.27 3kvg s PHE 166 Cb 0.19 -4.02 0.16 0.00 0.51 0.00 0.00 43.02 39.86 3kvg s PHE 166 CO 0.46 -3.46 0.98 0.27 0.70 0.00 0.00 175.22 174.17 3kvg n ASN 167 N 2.35 0.37 -0.10 1.36 0.23 -1.26 -4.84 115.26 113.37 3kvg n ASN 167 Ca 0.08 -1.53 -0.02 0.00 -0.53 0.00 0.00 54.58 52.58 3kvg n ASN 167 Cb 0.38 -0.72 0.23 0.00 -2.08 0.00 0.00 39.78 37.59 3kvg n ASN 167 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kvg h ASP 168 N -1.11 0.71 -0.33 0.53 3.32 -1.98 -1.63 116.42 115.93 3kvg h ASP 168 Ca -0.32 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 3kvg h ASP 168 Cb 0.95 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3kvg h ASP 168 CO 0.25 0.68 0.01 -1.28 -1.72 0.00 0.00 179.24 177.18 3kvg h SER 169 N 0.74 0.56 -0.28 6.45 0.87 -1.95 -0.92 113.55 119.04 3kvg h SER 169 Ca 0.17 -0.30 -0.12 0.00 -1.23 0.00 0.00 61.79 60.31 3kvg h SER 169 Cb 0.25 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3kvg h SER 169 CO -0.01 0.73 -0.24 1.56 -0.53 0.00 0.00 176.83 178.34 3kvg h GLN 170 N 0.38 0.76 -0.13 2.24 4.20 -1.66 -0.97 115.11 119.93 3kvg h GLN 170 Ca 0.09 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3kvg h GLN 170 Cb 0.43 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 3kvg h GLN 170 CO 0.02 0.93 -0.00 0.00 -0.67 0.00 0.00 178.83 179.10 3kvg h ARG 171 N 0.66 0.24 -0.68 1.46 3.08 -1.27 -2.20 114.38 115.67 3kvg h ARG 171 Ca 0.09 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3kvg h ARG 171 Cb 0.75 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3kvg h ARG 171 CO 0.06 0.47 0.17 0.37 -1.07 0.00 0.00 179.97 179.97 3kvg h GLN 172 N -0.03 1.09 -0.14 0.04 5.75 -1.11 -1.73 115.11 118.98 3kvg h GLN 172 Ca 0.04 -0.26 -0.09 0.00 -0.15 0.00 0.00 58.65 58.19 3kvg h GLN 172 Cb 0.37 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 3kvg h GLN 172 CO 0.01 0.96 -0.32 0.00 -2.65 0.00 0.00 178.83 176.83 3kvg h ALA 173 N 1.08 1.20 -0.45 3.38 0.00 -1.17 0.01 119.26 123.30 3kvg h ALA 173 Ca 0.21 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3kvg h ALA 173 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kvg h ALA 173 CO 0.00 0.53 -0.28 1.15 0.00 0.00 0.00 179.25 180.65 3kvg h THR 174 N 0.25 1.27 -0.69 0.00 2.02 -1.13 -1.44 112.91 113.18 3kvg h THR 174 Ca 0.03 -1.45 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 3kvg h THR 174 Cb 0.69 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3kvg h THR 174 CO 0.05 0.50 0.21 0.50 0.37 0.00 0.00 175.52 177.15 3kvg h LYS 175 N 0.82 1.08 -0.84 6.66 3.64 -0.94 -2.38 116.57 124.61 3kvg h LYS 175 Ca 0.09 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3kvg h LYS 175 Cb 0.87 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 3kvg h LYS 175 CO 0.08 0.94 0.41 -0.44 -2.27 0.00 0.00 179.45 178.16 3kvg h ASP 176 N 1.02 1.10 -0.97 4.20 3.32 -0.81 -1.32 116.42 122.96 3kvg h ASP 176 Ca 0.22 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3kvg h ASP 176 Cb 0.31 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 3kvg h ASP 176 CO -0.01 0.93 0.63 0.00 -1.72 0.00 0.00 179.24 179.08 3kvg h ALA 177 N 1.22 1.39 -0.11 3.45 0.00 -0.90 -0.04 119.26 124.27 3kvg h ALA 177 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3kvg h ALA 177 Cb 0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3kvg h ALA 177 CO -0.04 0.51 0.04 0.78 0.00 0.00 0.00 179.25 180.54 3kvg h GLY 178 N 1.20 0.18 1.01 0.00 0.00 -0.89 -2.37 103.07 102.20 3kvg h GLY 178 Ca 0.39 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.62 3kvg h GLY 178 CO -0.13 0.10 0.44 0.00 0.00 0.00 0.00 176.54 176.95 3kvg h ALA 179 N 0.86 0.84 -0.26 3.60 0.00 -0.70 0.73 119.26 124.32 3kvg h ALA 179 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kvg h ALA 179 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kvg h ALA 179 CO -0.00 0.26 0.03 0.82 0.00 0.00 0.00 179.25 180.36 3kvg h ILE 180 N 0.89 1.15 -0.00 0.00 2.04 -0.96 -1.16 117.51 119.48 3kvg h ILE 180 Ca 0.24 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3kvg h ILE 180 Cb -0.10 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3kvg h ILE 180 CO -0.05 0.19 -0.01 0.00 0.00 0.00 0.00 178.15 178.28 3kvg n ALA 181 N -2.49 2.60 -0.82 1.87 0.00 -0.88 -4.90 120.51 115.88 3kvg n ALA 181 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3kvg n ALA 181 Cb 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3kvg n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvg n GLY 182 N 1.17 0.50 3.87 0.00 0.00 -0.44 -4.69 105.19 105.61 3kvg n GLY 182 Ca 0.18 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3kvg n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvg s LEU 183 N 0.00 4.37 -0.59 0.99 1.43 0.20 -4.76 118.68 120.32 3kvg s LEU 183 Ca 0.00 0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 3kvg s LEU 183 Cb 0.00 -2.83 0.09 0.00 0.03 0.00 0.00 46.19 43.48 3kvg s LEU 183 CO 0.00 0.21 0.73 0.21 0.23 0.00 0.00 176.35 177.73 3kvg s ASN 184 N -1.68 6.19 -0.75 2.29 2.47 0.75 -3.59 114.94 120.61 3kvg s ASN 184 Ca 0.30 -1.32 -0.27 0.00 0.42 0.00 0.00 52.86 52.00 3kvg s ASN 184 Cb -0.14 -2.31 0.03 0.00 -1.45 0.00 0.00 41.25 37.38 3kvg s ASN 184 CO 0.17 -1.13 1.32 -0.69 -3.72 0.00 0.00 177.10 173.05 3kvg s VAL 185 N 2.84 3.71 0.27 -5.21 1.01 -1.26 -1.20 120.40 120.57 3kvg s VAL 185 Ca 0.13 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 3kvg s VAL 185 Cb -0.23 -4.87 0.10 0.00 0.00 0.00 0.00 36.38 31.38 3kvg s VAL 185 CO 0.07 -1.81 1.76 0.24 0.00 0.00 0.00 175.10 175.36 3kvg h MET 186 N 10.27 0.68 -1.86 2.72 0.00 -1.24 -3.46 114.93 122.05 3kvg h MET 186 Ca -0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 59.70 59.24 3kvg h MET 186 Cb 1.05 -0.07 -0.21 0.00 0.00 0.00 0.00 31.60 32.37 3kvg h MET 186 CO 1.29 0.75 0.29 0.50 0.00 0.00 0.00 176.91 179.73 3kvg s ARG 187 N -4.85 0.87 -0.27 1.72 3.52 -1.25 -5.07 118.95 113.62 3kvg s ARG 187 Ca -0.09 0.39 -0.10 0.00 -0.13 0.00 0.00 55.73 55.80 3kvg s ARG 187 Cb 0.14 0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 33.90 3kvg s ARG 187 CO 0.80 -0.23 0.16 0.42 -0.81 0.00 0.00 175.30 175.63 3kvg s ILE 188 N -0.79 5.00 0.25 4.11 -1.09 -1.26 -2.61 121.20 124.81 3kvg s ILE 188 Ca -0.06 0.04 0.12 0.00 -2.23 0.00 0.00 60.65 58.52 3kvg s ILE 188 Cb -0.01 -3.38 -0.05 0.00 -1.58 0.00 0.00 42.46 37.44 3kvg s ILE 188 CO 0.05 0.26 -0.21 0.27 -1.23 0.00 0.00 174.94 174.09 3kvg s ILE 189 N 1.71 2.46 0.26 2.92 -4.36 -1.00 -5.00 121.20 118.20 3kvg s ILE 189 Ca 0.07 -2.26 -0.30 0.00 -0.26 0.00 0.00 60.65 57.90 3kvg s ILE 189 Cb -0.16 -2.25 -0.09 0.00 1.25 0.00 0.00 42.46 41.21 3kvg s ILE 189 CO 0.09 -0.30 1.16 0.20 0.24 0.00 0.00 174.94 176.33 3kvg s ASN 190 N -3.21 7.14 0.16 4.36 0.01 -1.26 -1.26 114.94 120.88 3kvg s ASN 190 Ca 0.27 2.32 -0.16 0.00 -0.71 0.00 0.00 52.86 54.58 3kvg s ASN 190 Cb -0.06 -2.62 0.09 0.00 0.41 0.00 0.00 41.25 39.06 3kvg s ASN 190 CO 0.13 -0.27 1.72 -0.33 -1.51 0.00 0.00 177.10 176.84 3kvg h GLU 191 N 4.22 0.18 -0.22 -0.60 5.08 -1.05 -1.82 114.58 120.36 3kvg h GLU 191 Ca -0.46 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 3kvg h GLU 191 Cb 1.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3kvg h GLU 191 CO 0.69 0.12 -0.03 -1.00 -1.00 0.00 0.00 179.01 177.79 3kvg h PRO 192 N 0.18 0.33 -0.43 2.33 0.13 -1.94 -1.99 132.00 130.61 3kvg h PRO 192 Ca 0.18 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 3kvg h PRO 192 Cb 0.22 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 3kvg h PRO 192 CO -0.25 0.38 -0.08 1.15 -0.23 0.00 0.00 178.00 178.97 3kvg h THR 193 N 0.32 1.27 -0.57 1.56 2.02 -1.90 -1.96 112.91 113.65 3kvg h THR 193 Ca 0.07 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3kvg h THR 193 Cb 0.26 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3kvg h THR 193 CO 0.01 0.40 0.37 0.00 0.37 0.00 0.00 175.52 176.67 3kvg h ALA 194 N 0.87 0.73 -0.86 6.16 0.00 -0.78 0.66 119.26 126.03 3kvg h ALA 194 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kvg h ALA 194 Cb 0.60 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3kvg h ALA 194 CO 0.04 0.18 0.44 0.00 0.00 0.00 0.00 179.25 179.91 3kvg h ALA 195 N 1.20 1.16 -0.52 0.00 0.00 -1.26 0.36 119.26 120.21 3kvg h ALA 195 Ca 0.21 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3kvg h ALA 195 Cb -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3kvg h ALA 195 CO -0.04 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 3kvg h ALA 196 N 1.27 0.70 -0.65 0.00 0.00 -0.71 -2.74 119.26 117.13 3kvg h ALA 196 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kvg h ALA 196 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kvg h ALA 196 CO -0.04 0.52 0.31 0.82 0.00 0.00 0.00 179.25 180.86 3kvg h ILE 197 N 0.79 1.22 -0.98 0.00 2.04 -0.45 -2.27 117.51 117.87 3kvg h ILE 197 Ca 0.15 -0.62 0.14 0.00 1.00 0.00 0.00 64.86 65.53 3kvg h ILE 197 Cb 0.54 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 3kvg h ILE 197 CO 0.03 0.26 0.62 0.00 0.00 0.00 0.00 178.15 179.05 3kvg h ALA 198 N 1.14 1.64 -0.12 1.87 0.00 -0.65 -0.77 119.26 122.37 3kvg h ALA 198 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kvg h ALA 198 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kvg h ALA 198 CO -0.03 0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.97 3kvg n TYR 199 N -4.63 0.15 -3.09 0.00 4.02 -1.05 -4.90 117.16 107.66 3kvg n TYR 199 Ca 0.19 -0.08 -0.23 0.00 -0.01 0.00 0.00 57.90 57.78 3kvg n TYR 199 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.78 3kvg n TYR 199 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kvg n GLY 200 N 1.14 -0.52 0.10 2.72 0.00 -0.30 -4.88 105.19 103.46 3kvg n GLY 200 Ca 0.17 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.43 3kvg n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvg n LEU 201 N -4.04 0.51 -1.22 0.99 4.77 -0.88 -2.08 117.00 115.04 3kvg n LEU 201 Ca -0.10 0.64 -0.01 0.00 -0.03 0.00 0.00 56.01 56.51 3kvg n LEU 201 Cb 0.61 -0.58 0.15 0.00 -2.33 0.00 0.00 43.42 41.26 3kvg n LEU 201 CO 0.49 -0.53 0.61 -0.90 -1.33 0.00 0.00 177.39 175.72 3kvg n ASP 202 N -2.07 3.13 0.00 -1.43 5.75 -1.26 -3.61 116.55 117.06 3kvg n ASP 202 Ca 0.02 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 3kvg n ASP 202 Cb 0.19 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 3kvg n ASP 202 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kvg n LYS 203 N 0.14 0.00 -0.02 0.11 5.02 -0.88 -4.29 118.16 118.23 3kvg n LYS 203 Ca 0.16 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 3kvg n LYS 203 Cb 0.76 -0.09 -0.08 0.00 -0.02 0.00 0.00 35.03 35.60 3kvg n LYS 203 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3kvg h LYS 204 N 0.00 0.12 0.00 1.97 1.79 -1.60 -3.49 116.57 115.36 3kvg h LYS 204 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3kvg h LYS 204 Cb 0.62 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3kvg h LYS 204 CO 0.00 0.45 0.00 0.41 -1.08 0.00 0.00 179.45 179.23 3kvg n GLY 205 N -0.12 5.43 3.61 3.86 0.00 -1.26 -5.14 105.19 111.57 3kvg n GLY 205 Ca -0.07 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 3kvg n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kvg s THR 206 N 1.63 3.39 0.00 2.61 2.01 -1.26 -5.06 115.64 118.96 3kvg s THR 206 Ca 0.00 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.38 3kvg s THR 206 Cb 0.00 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.80 3kvg s THR 206 CO 0.00 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 3kvg n GLY 207 N -0.14 1.07 3.73 4.40 0.00 -1.26 -4.77 105.19 108.22 3kvg n GLY 207 Ca -0.10 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3kvg n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kvg s GLU 208 N 0.00 4.69 -0.13 1.61 2.12 -1.26 -4.55 118.70 121.18 3kvg s GLU 208 Ca 0.00 1.44 0.02 0.00 0.36 0.00 0.00 54.97 56.80 3kvg s GLU 208 Cb 0.00 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.02 3kvg s GLU 208 CO 0.00 0.21 -0.21 0.50 -0.54 0.00 0.00 175.26 175.22 3kvg s ARG 209 N 0.02 3.08 -0.26 4.30 3.52 0.75 -4.96 118.95 125.40 3kvg s ARG 209 Ca 0.47 -0.83 -0.10 0.00 -0.13 0.00 0.00 55.73 55.13 3kvg s ARG 209 Cb -0.23 -2.45 -0.05 0.00 -1.56 0.00 0.00 34.95 30.66 3kvg s ARG 209 CO 0.30 0.05 0.17 -0.80 -0.81 0.00 0.00 175.30 174.21 3kvg s ASN 210 N 0.68 5.96 -0.10 -2.12 0.01 -1.26 -0.58 114.94 117.53 3kvg s ASN 210 Ca -0.10 0.01 0.03 0.00 -0.71 0.00 0.00 52.86 52.09 3kvg s ASN 210 Cb -0.16 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.41 3kvg s ASN 210 CO 0.01 -0.01 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.72 3kvg s VAL 211 N 1.53 1.67 -0.21 1.60 1.01 0.07 -0.54 120.40 125.53 3kvg s VAL 211 Ca 0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3kvg s VAL 211 Cb -0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3kvg s VAL 211 CO 0.08 0.47 0.02 -0.22 0.00 0.00 0.00 175.10 175.45 3kvg s LEU 212 N 0.65 3.32 -0.31 3.92 0.20 0.23 -0.35 118.68 126.33 3kvg s LEU 212 Ca -0.13 -0.19 -0.11 0.00 0.69 0.00 0.00 54.13 54.38 3kvg s LEU 212 Cb -0.16 -1.85 -0.02 0.00 -0.43 0.00 0.00 46.19 43.72 3kvg s LEU 212 CO 0.04 0.05 0.19 -0.63 -0.29 0.00 0.00 176.35 175.71 3kvg s ILE 213 N 1.10 5.01 -0.45 6.68 -1.09 0.39 -0.17 121.20 132.67 3kvg s ILE 213 Ca 0.03 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.14 3kvg s ILE 213 Cb -0.14 -3.52 0.09 0.00 -1.58 0.00 0.00 42.46 37.31 3kvg s ILE 213 CO 0.02 0.08 0.32 0.12 -1.23 0.00 0.00 174.94 174.25 3kvg s PHE 214 N 1.69 3.34 -0.32 3.97 5.36 -0.05 -1.39 117.98 130.59 3kvg s PHE 214 Ca 0.06 -1.53 -0.01 0.00 -0.96 0.00 0.00 56.93 54.48 3kvg s PHE 214 Cb -0.17 -3.21 0.07 0.00 -0.34 0.00 0.00 43.02 39.37 3kvg s PHE 214 CO 0.09 -0.90 0.04 0.34 -1.46 0.00 0.00 175.22 173.33 3kvg s ASP 215 N 2.45 4.93 -0.30 6.13 -1.08 0.47 -1.40 116.67 127.88 3kvg s ASP 215 Ca 0.04 -1.48 0.03 0.00 -0.52 0.00 0.00 52.55 50.61 3kvg s ASP 215 Cb -0.25 -1.72 0.08 0.00 -1.46 0.00 0.00 42.92 39.58 3kvg s ASP 215 CO 0.02 -0.32 0.00 -0.22 0.52 0.00 0.00 175.17 175.17 3kvg s LEU 216 N 1.20 3.78 0.00 -1.34 2.96 -0.66 -0.17 118.68 124.45 3kvg s LEU 216 Ca -0.02 -1.75 0.00 0.00 -0.22 0.00 0.00 54.13 52.14 3kvg s LEU 216 Cb -0.20 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.05 3kvg s LEU 216 CO -0.02 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 3kvg n GLY 217 N 4.44 2.25 0.15 7.98 0.00 -0.77 -1.68 105.19 117.55 3kvg n GLY 217 Ca -0.04 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 3kvg n GLY 217 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kvg h GLY 218 N 0.00 0.59 0.00 -0.02 0.00 -1.91 0.24 103.07 101.96 3kvg h GLY 218 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 47.33 45.83 3kvg h GLY 218 CO 0.00 1.31 -0.78 0.61 0.00 0.00 0.00 176.54 177.68 3kvg n GLY 219 N 1.72 0.10 3.35 4.60 0.00 -1.26 -0.85 105.19 112.84 3kvg n GLY 219 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 3kvg n GLY 219 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvg s THR 220 N -1.64 1.55 -0.14 2.61 -4.23 -1.20 -2.44 115.64 110.15 3kvg s THR 220 Ca 0.00 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.35 3kvg s THR 220 Cb 0.00 -2.14 0.04 0.00 1.34 0.00 0.00 72.50 71.74 3kvg s THR 220 CO 0.00 -0.52 -0.03 0.12 -0.54 0.00 0.00 174.62 173.64 3kvg s PHE 221 N -3.08 1.35 -0.09 3.99 5.36 -0.06 -1.85 117.98 123.60 3kvg s PHE 221 Ca 0.24 -0.79 0.02 0.00 -0.96 0.00 0.00 56.93 55.44 3kvg s PHE 221 Cb 0.01 -1.15 0.01 0.00 -0.34 0.00 0.00 43.02 41.56 3kvg s PHE 221 CO 0.07 -0.54 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.65 3kvg s ASP 222 N 1.75 2.13 -0.15 6.13 1.01 0.76 -0.92 116.67 127.38 3kvg s ASP 222 Ca 0.02 -0.36 0.01 0.00 0.71 0.00 0.00 52.55 52.93 3kvg s ASP 222 Cb -0.14 -0.96 0.00 0.00 1.01 0.00 0.00 42.92 42.83 3kvg s ASP 222 CO -0.07 0.03 -0.18 -0.69 0.21 0.00 0.00 175.17 174.46 3kvg s VAL 223 N 0.83 2.46 -0.01 -1.27 1.01 0.12 -0.39 120.40 123.15 3kvg s VAL 223 Ca -0.11 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3kvg s VAL 223 Cb -0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3kvg s VAL 223 CO 0.02 0.53 -0.12 -0.44 0.00 0.00 0.00 175.10 175.08 3kvg s SER 224 N 0.76 1.41 -0.21 3.32 0.01 -0.48 -1.03 113.70 117.49 3kvg s SER 224 Ca -0.07 -0.24 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 3kvg s SER 224 Cb -0.16 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 65.93 3kvg s SER 224 CO 0.00 0.14 -0.10 -0.22 0.41 0.00 0.00 173.24 173.47 3kvg s LEU 225 N -0.35 2.71 0.23 2.44 2.96 0.41 -0.46 118.68 126.62 3kvg s LEU 225 Ca 0.04 -0.59 0.11 0.00 -0.22 0.00 0.00 54.13 53.47 3kvg s LEU 225 Cb -0.05 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 3kvg s LEU 225 CO -0.00 -0.04 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.07 3kvg s LEU 226 N 1.38 2.74 -0.05 -0.68 1.43 0.53 -0.60 118.68 123.42 3kvg s LEU 226 Ca 0.04 -0.83 0.05 0.00 -1.03 0.00 0.00 54.13 52.37 3kvg s LEU 226 Cb -0.14 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 3kvg s LEU 226 CO -0.07 0.07 -0.22 -0.89 0.23 0.00 0.00 176.35 175.47 3kvg s THR 227 N -2.09 1.83 -0.07 5.49 2.01 0.02 -0.75 115.64 122.07 3kvg s THR 227 Ca 0.27 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.37 3kvg s THR 227 Cb -0.07 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.88 3kvg s THR 227 CO 0.15 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.76 3kvg s ILE 228 N -0.06 1.69 -0.16 1.82 1.01 0.25 -0.83 121.20 124.93 3kvg s ILE 228 Ca -0.05 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 3kvg s ILE 228 Cb -0.13 -1.47 0.08 0.00 0.01 0.00 0.00 42.46 40.94 3kvg s ILE 228 CO 0.03 0.48 0.31 -0.70 0.00 0.00 0.00 174.94 175.06 3kvg s GLU 229 N 0.30 0.21 -1.50 2.79 2.12 -0.94 -0.17 118.70 121.51 3kvg s GLU 229 Ca -0.13 0.78 -0.11 0.00 0.36 0.00 0.00 54.97 55.87 3kvg s GLU 229 Cb -0.16 -0.03 0.07 0.00 0.26 0.00 0.00 34.13 34.27 3kvg s GLU 229 CO 0.06 -0.32 0.94 -0.25 -0.54 0.00 0.00 175.26 175.14 3kvg n ASP 230 N 5.36 -4.20 0.00 -1.70 8.00 -1.26 -1.70 116.55 121.05 3kvg n ASP 230 Ca -0.07 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3kvg n ASP 230 Cb 0.50 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 3kvg n ASP 230 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kvg n GLY 231 N -1.69 0.94 3.62 0.44 0.00 -1.26 -5.02 105.19 102.23 3kvg n GLY 231 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3kvg n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvg s ILE 232 N -3.78 5.23 -0.01 -0.61 1.01 -0.69 -5.04 121.20 117.31 3kvg s ILE 232 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.99 3kvg s ILE 232 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 3kvg s ILE 232 CO 0.00 0.22 0.39 -0.36 0.00 0.00 0.00 174.94 175.19 3kvg s PHE 233 N 1.72 3.72 -0.05 3.97 0.08 -1.26 -2.21 117.98 123.95 3kvg s PHE 233 Ca 0.13 0.96 -0.01 0.00 0.12 0.00 0.00 56.93 58.13 3kvg s PHE 233 Cb -0.15 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.06 3kvg s PHE 233 CO 0.09 0.65 0.03 -2.00 -0.10 0.00 0.00 175.22 173.89 3kvg s GLU 234 N -1.09 0.25 -0.41 0.44 2.12 -0.01 -4.99 118.70 115.02 3kvg s GLU 234 Ca 0.23 0.23 -0.28 0.00 0.36 0.00 0.00 54.97 55.51 3kvg s GLU 234 Cb -0.16 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.55 3kvg s GLU 234 CO 0.13 -0.30 1.07 0.08 -0.54 0.00 0.00 175.26 175.70 3kvg s VAL 235 N 1.96 4.38 -0.12 3.70 1.01 -1.26 -0.80 120.40 129.27 3kvg s VAL 235 Ca 0.03 1.34 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 3kvg s VAL 235 Cb -0.12 -4.49 -0.26 0.00 0.00 0.00 0.00 36.38 31.51 3kvg s VAL 235 CO -0.04 -0.75 0.48 0.11 0.00 0.00 0.00 175.10 174.90 3kvg h LYS 236 N 8.74 0.21 -2.78 2.72 1.79 -1.21 -3.49 116.57 122.55 3kvg h LYS 236 Ca -0.22 -0.36 -0.11 0.00 -2.18 0.00 0.00 60.65 57.78 3kvg h LYS 236 Cb 1.06 0.13 -0.21 0.00 -1.58 0.00 0.00 32.23 31.64 3kvg h LYS 236 CO 1.07 1.17 -0.18 0.00 -1.08 0.00 0.00 179.45 180.42 3kvg s ALA 237 N -2.47 -1.01 0.01 3.86 0.00 -1.12 -4.84 121.76 116.19 3kvg s ALA 237 Ca -0.21 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.48 3kvg s ALA 237 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kvg s ALA 237 CO 0.74 -0.26 -0.06 0.95 0.00 0.00 0.00 175.76 177.13 3kvg s THR 238 N -0.91 0.46 0.16 0.00 -4.23 -1.26 -0.44 115.64 109.42 3kvg s THR 238 Ca -0.10 -0.49 -0.19 0.00 -1.18 0.00 0.00 61.69 59.73 3kvg s THR 238 Cb -0.04 -0.43 0.05 0.00 1.34 0.00 0.00 72.50 73.42 3kvg s THR 238 CO 0.04 -0.04 0.52 0.00 -0.54 0.00 0.00 174.62 174.60 3kvg s ALA 239 N -0.52 -1.22 0.00 3.99 0.00 -0.19 -4.87 121.76 118.95 3kvg s ALA 239 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3kvg s ALA 239 Cb -0.05 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3kvg s ALA 239 CO -0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3kvg n GLY 240 N -0.32 -0.34 2.88 0.00 0.00 -1.26 0.12 105.19 106.26 3kvg n GLY 240 Ca -0.15 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 3kvg n GLY 240 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kvg s ASP 241 N -4.00 0.77 0.00 1.61 -1.08 -0.10 -5.01 116.67 108.87 3kvg s ASP 241 Ca 0.00 0.28 0.19 0.00 -0.52 0.00 0.00 52.55 52.50 3kvg s ASP 241 Cb 0.00 0.46 0.94 0.00 -1.46 0.00 0.00 42.92 42.86 3kvg s ASP 241 CO 0.00 -0.27 1.57 0.35 0.52 0.00 0.00 175.17 177.34 3kvg n THR 242 N 5.33 0.43 -2.34 1.71 -2.24 -1.26 -0.89 114.28 115.02 3kvg n THR 242 Ca -0.05 0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.65 3kvg n THR 242 Cb 0.50 -0.80 0.02 0.00 -2.10 0.00 0.00 70.33 67.95 3kvg n THR 242 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kvg n HIS 243 N -1.28 2.46 -3.51 4.78 8.25 -1.24 -4.39 115.22 120.29 3kvg n HIS 243 Ca 0.09 -2.46 -0.19 0.00 -0.26 0.00 0.00 57.72 54.90 3kvg n HIS 243 Cb 0.15 -0.26 -0.13 0.00 1.12 0.00 0.00 29.99 30.86 3kvg n HIS 243 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kvg s LEU 244 N -3.58 -0.05 0.00 2.41 2.96 -1.02 -5.01 118.68 114.39 3kvg s LEU 244 Ca 0.43 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.02 3kvg s LEU 244 Cb 0.39 0.30 0.02 0.00 0.50 0.00 0.00 46.19 47.41 3kvg s LEU 244 CO -0.03 -0.33 0.32 0.61 -1.32 0.00 0.00 176.35 175.61 3kvg n GLY 245 N 5.31 1.30 0.41 7.98 0.00 -1.25 -2.30 105.19 116.64 3kvg n GLY 245 Ca -0.06 -1.04 0.23 0.00 0.00 0.00 0.00 46.02 45.15 3kvg n GLY 245 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kvg h GLY 246 N 0.68 0.12 1.03 -0.02 0.00 -0.04 -1.91 103.07 102.93 3kvg h GLY 246 Ca -0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3kvg h GLY 246 CO 0.13 0.00 0.36 0.83 0.00 0.00 0.00 176.54 177.87 3kvg h GLU 247 N 0.06 1.13 -0.07 4.80 4.39 -1.27 -1.82 114.58 121.80 3kvg h GLU 247 Ca 0.34 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 3kvg h GLU 247 Cb 1.27 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 3kvg h GLU 247 CO -0.03 0.89 -0.34 -0.44 -1.16 0.00 0.00 179.01 177.94 3kvg h ASP 248 N 1.11 0.14 -0.24 1.42 3.32 -1.57 -1.38 116.42 119.22 3kvg h ASP 248 Ca 0.27 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.08 3kvg h ASP 248 Cb 0.14 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kvg h ASP 248 CO -0.03 0.48 -0.60 -0.26 -1.72 0.00 0.00 179.24 177.11 3kvg h PHE 249 N 0.13 1.06 -0.49 4.55 0.04 -1.43 -2.75 116.94 118.04 3kvg h PHE 249 Ca 0.02 -0.41 0.01 0.00 2.80 0.00 0.00 57.97 60.39 3kvg h PHE 249 Cb 0.66 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 3kvg h PHE 249 CO 0.01 1.23 0.32 -0.44 -0.60 0.00 0.00 178.31 178.83 3kvg h ASP 250 N 0.58 0.55 -0.79 2.17 5.19 -1.03 -2.47 116.42 120.63 3kvg h ASP 250 Ca -0.01 -0.01 0.14 0.00 -0.62 0.00 0.00 57.03 56.53 3kvg h ASP 250 Cb 1.22 -0.13 -0.09 0.00 0.18 0.00 0.00 39.33 40.50 3kvg h ASP 250 CO 0.13 0.40 0.36 0.78 -3.12 0.00 0.00 179.24 177.79 3kvg h ASN 251 N 0.66 0.40 -0.71 6.45 2.35 -1.16 0.21 115.58 123.77 3kvg h ASN 251 Ca 0.18 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 3kvg h ASN 251 Cb -0.06 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3kvg h ASN 251 CO -0.05 0.17 0.22 0.03 -1.65 0.00 0.00 177.43 176.16 3kvg h ARG 252 N 0.53 1.11 -0.22 0.81 2.47 -1.15 0.13 114.38 118.05 3kvg h ARG 252 Ca 0.43 -0.24 -0.09 0.00 -1.26 0.00 0.00 59.98 58.82 3kvg h ARG 252 Cb 0.61 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3kvg h ARG 252 CO -0.37 0.95 -0.19 -0.07 0.56 0.00 0.00 179.97 180.85 3kvg h LEU 253 N 1.05 0.56 -0.13 3.04 3.38 -0.77 -2.29 115.31 120.15 3kvg h LEU 253 Ca 0.23 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3kvg h LEU 253 Cb 0.30 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3kvg h LEU 253 CO -0.01 0.90 -0.03 0.58 0.09 0.00 0.00 178.44 179.97 3kvg h VAL 254 N 0.22 0.87 -0.95 1.22 2.07 -0.51 -1.48 116.25 117.69 3kvg h VAL 254 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3kvg h VAL 254 Cb 0.73 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3kvg h VAL 254 CO 0.05 0.00 0.63 -0.08 0.02 0.00 0.00 177.57 178.19 3kvg h GLU 255 N -0.00 1.24 -0.17 1.57 4.57 -0.98 0.96 114.58 121.77 3kvg h GLU 255 Ca 0.06 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3kvg h GLU 255 Cb 0.10 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 3kvg h GLU 255 CO -0.14 0.82 0.09 0.35 -1.18 0.00 0.00 179.01 178.96 3kvg h PHE 256 N 1.28 0.24 -0.28 0.92 3.57 -1.01 -1.89 116.94 119.77 3kvg h PHE 256 Ca 0.35 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.74 3kvg h PHE 256 Cb -0.13 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3kvg h PHE 256 CO -0.00 0.25 -0.26 0.00 -2.23 0.00 0.00 178.31 176.07 3kvg h VAL 258 N 0.49 1.21 -0.46 0.00 2.07 -0.67 -0.50 116.25 118.39 3kvg h VAL 258 Ca 0.07 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 3kvg h VAL 258 Cb 0.71 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3kvg h VAL 258 CO 0.05 0.24 -0.22 1.56 0.02 0.00 0.00 177.57 179.22 3kvg h GLN 259 N 0.46 0.93 -0.48 1.57 1.08 -1.24 -2.07 115.11 115.36 3kvg h GLN 259 Ca 0.12 -0.39 -0.07 0.00 -1.45 0.00 0.00 58.65 56.86 3kvg h GLN 259 Cb 0.24 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 3kvg h GLN 259 CO -0.01 1.05 0.02 0.22 -0.95 0.00 0.00 178.83 179.17 3kvg h ASP 260 N 0.80 0.75 -0.40 1.46 3.58 -0.98 -1.70 116.42 119.92 3kvg h ASP 260 Ca 0.11 -0.17 -0.15 0.00 0.42 0.00 0.00 57.03 57.24 3kvg h ASP 260 Cb 0.78 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 3kvg h ASP 260 CO 0.06 0.80 -0.32 0.15 -2.88 0.00 0.00 179.24 177.05 3kvg h PHE 261 N 0.74 1.12 0.22 0.28 3.57 -0.90 -2.20 116.94 119.76 3kvg h PHE 261 Ca 0.15 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.34 3kvg h PHE 261 Cb 0.42 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3kvg h PHE 261 CO 0.02 1.13 -0.23 0.87 -2.23 0.00 0.00 178.31 177.88 3kvg h LYS 262 N 0.79 -0.47 -0.01 1.11 1.57 -0.98 0.40 116.57 118.99 3kvg h LYS 262 Ca 0.08 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3kvg h LYS 262 Cb 0.91 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3kvg h LYS 262 CO 0.08 -0.31 -0.43 0.07 -0.57 0.00 0.00 179.45 178.30 3kvg h ARG 263 N -0.48 0.02 0.00 3.15 0.11 -1.33 0.43 114.38 116.27 3kvg h ARG 263 Ca -0.00 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.99 3kvg h ARG 263 Cb 0.45 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 3kvg h ARG 263 CO -0.06 0.44 -0.36 0.87 0.10 0.00 0.00 179.97 180.97 3kvg h LYS 264 N 0.02 0.00 -1.29 0.08 1.57 -1.23 -3.38 116.57 112.34 3kvg h LYS 264 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3kvg h LYS 264 Cb 0.76 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.66 3kvg h LYS 264 CO 0.06 0.36 -0.96 0.09 -0.57 0.00 0.00 179.45 178.43 3kvg n ASN 265 N -3.37 3.11 -4.05 0.86 3.02 0.12 -5.01 115.26 109.94 3kvg n ASN 265 Ca 0.01 -3.23 -0.31 0.00 -0.03 0.00 0.00 54.58 51.02 3kvg n ASN 265 Cb 0.56 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 3kvg n ASN 265 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3kvg n ARG 266 N -0.27 -3.72 -1.15 3.52 1.85 -1.02 -2.19 116.66 113.69 3kvg n ARG 266 Ca 0.25 0.44 -0.05 0.00 -1.00 0.00 0.00 57.85 57.48 3kvg n ARG 266 Cb 0.73 -4.97 -0.02 0.00 -1.05 0.00 0.00 32.46 27.15 3kvg n ARG 266 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kvg n GLY 267 N -1.67 0.76 3.73 2.89 0.00 0.15 -5.01 105.19 106.03 3kvg n GLY 267 Ca -0.09 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 3kvg n GLY 267 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kvg s MET 268 N -2.09 4.25 -0.47 1.61 1.00 -0.93 -4.90 119.30 117.77 3kvg s MET 268 Ca 0.00 2.29 -0.09 0.00 0.00 0.00 0.00 55.69 57.89 3kvg s MET 268 Cb 0.00 -3.16 0.12 0.00 0.00 0.00 0.00 34.83 31.79 3kvg s MET 268 CO 0.00 -0.52 0.34 0.34 0.00 0.00 0.00 175.02 175.19 3kvg s ASP 269 N 0.88 5.69 0.28 3.03 2.15 -1.26 -3.83 116.67 123.61 3kvg s ASP 269 Ca 0.66 -1.94 0.23 0.00 0.43 0.00 0.00 52.55 51.93 3kvg s ASP 269 Cb -0.42 -2.00 1.03 0.00 -0.30 0.00 0.00 42.92 41.23 3kvg s ASP 269 CO 0.35 -0.68 1.70 0.00 -0.17 0.00 0.00 175.17 176.37 3kvg n LEU 270 N 4.87 0.65 0.18 -1.34 -0.00 -1.26 -3.13 117.00 116.98 3kvg n LEU 270 Ca -0.07 0.69 0.14 0.00 -0.00 0.00 0.00 56.01 56.76 3kvg n LEU 270 Cb 0.41 -0.64 0.62 0.00 -0.00 0.00 0.00 43.42 43.81 3kvg n LEU 270 CO 0.42 -0.66 0.90 0.71 -0.00 0.00 0.00 177.39 178.76 3kvg h THR 271 N 0.00 0.00 0.00 1.47 1.35 -1.97 -2.35 112.91 111.41 3kvg h THR 271 Ca 0.00 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 3kvg h THR 271 Cb 0.28 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3kvg h THR 271 CO 0.00 0.00 -0.03 0.71 -0.25 0.00 0.00 175.52 175.95 3kvg h THR 272 N 0.00 0.07 -3.60 6.82 1.35 -2.00 -3.40 112.91 112.14 3kvg h THR 272 Ca 0.00 -0.67 -0.70 0.00 -0.55 0.00 0.00 66.41 64.49 3kvg h THR 272 Cb 0.25 1.63 -0.29 0.00 -1.73 0.00 0.00 68.15 68.01 3kvg h THR 272 CO 0.00 0.03 -0.57 0.21 -0.25 0.00 0.00 175.52 174.94 3kvg s ASN 273 N -5.84 5.39 0.24 5.36 3.84 -0.88 -5.01 114.94 118.04 3kvg s ASN 273 Ca 0.02 -1.32 -0.05 0.00 0.21 0.00 0.00 52.86 51.72 3kvg s ASN 273 Cb 0.08 -1.89 0.36 0.00 -0.55 0.00 0.00 41.25 39.25 3kvg s ASN 273 CO 0.58 -0.40 1.83 0.00 -2.79 0.00 0.00 177.10 176.31 3kvg h ALA 274 N 8.25 1.16 -0.26 1.71 0.00 -1.83 -1.88 119.26 126.41 3kvg h ALA 274 Ca -0.22 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3kvg h ALA 274 Cb 1.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kvg h ALA 274 CO 0.65 0.17 0.09 -0.09 0.00 0.00 0.00 179.25 180.07 3kvg h ARG 275 N 0.86 0.40 -0.37 0.00 2.43 -1.93 -1.04 114.38 114.71 3kvg h ARG 275 Ca 0.38 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3kvg h ARG 275 Cb 0.27 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3kvg h ARG 275 CO -0.21 0.46 0.21 0.00 -1.51 0.00 0.00 179.97 178.92 3kvg h ALA 276 N 0.92 0.48 -0.59 2.80 0.00 -1.75 -1.00 119.26 120.12 3kvg h ALA 276 Ca 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kvg h ALA 276 Cb 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kvg h ALA 276 CO -0.00 -0.00 0.11 1.25 0.00 0.00 0.00 179.25 180.61 3kvg h LEU 277 N 0.48 0.89 -0.47 0.00 5.85 -1.31 -1.74 115.31 119.00 3kvg h LEU 277 Ca 0.13 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3kvg h LEU 277 Cb 0.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3kvg h LEU 277 CO -0.02 0.88 0.00 -0.09 -0.34 0.00 0.00 178.44 178.87 3kvg h ARG 278 N 0.89 0.83 -0.70 1.25 9.65 -0.91 0.74 114.38 126.14 3kvg h ARG 278 Ca 0.19 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 3kvg h ARG 278 Cb 0.36 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 3kvg h ARG 278 CO 0.01 0.88 0.39 0.00 2.80 0.00 0.00 179.97 184.04 3kvg h ARG 279 N 0.68 0.96 -0.04 0.20 3.08 -0.97 -0.49 114.38 117.80 3kvg h ARG 279 Ca 0.13 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kvg h ARG 279 Cb 0.50 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3kvg h ARG 279 CO 0.02 0.72 0.01 1.25 -1.07 0.00 0.00 179.97 180.90 3kvg h LEU 280 N 0.95 0.07 -0.86 3.04 5.85 -1.09 -2.65 115.31 120.63 3kvg h LEU 280 Ca 0.25 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3kvg h LEU 280 Cb 0.02 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3kvg h LEU 280 CO -0.04 0.29 0.56 -0.09 -0.34 0.00 0.00 178.44 178.81 3kvg h ARG 281 N -0.15 1.06 -0.77 1.25 2.43 -0.65 0.48 114.38 118.03 3kvg h ARG 281 Ca 0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3kvg h ARG 281 Cb 0.25 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3kvg h ARG 281 CO 0.00 0.70 0.45 1.15 -1.51 0.00 0.00 179.97 180.77 3kvg h THR 282 N 1.09 1.22 0.00 0.20 2.02 -1.08 -1.70 112.91 114.66 3kvg h THR 282 Ca 0.34 -0.50 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 3kvg h THR 282 Cb -0.02 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3kvg h THR 282 CO -0.11 0.23 -0.73 1.56 0.37 0.00 0.00 175.52 176.84 3kvg h GLN 283 N 1.05 0.00 -0.35 6.66 1.08 -1.04 -2.65 115.11 119.87 3kvg h GLN 283 Ca 0.27 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.35 3kvg h GLN 283 Cb -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3kvg h GLN 283 CO -0.05 0.73 -0.25 0.00 -0.95 0.00 0.00 178.83 178.32 3kvg h GLU 285 N 0.57 0.19 -0.52 0.00 4.57 -1.32 -0.19 114.58 117.89 3kvg h GLU 285 Ca 0.07 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3kvg h GLU 285 Cb 0.81 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 3kvg h GLU 285 CO 0.07 0.13 0.19 -0.09 -1.18 0.00 0.00 179.01 178.12 3kvg h ARG 286 N 0.20 0.78 -0.51 1.92 9.65 -1.40 -2.43 114.38 122.60 3kvg h ARG 286 Ca 0.13 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3kvg h ARG 286 Cb 0.11 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 3kvg h ARG 286 CO -0.15 0.71 0.26 0.00 2.80 0.00 0.00 179.97 183.60 3kvg h ALA 287 N 1.04 0.66 -0.28 2.80 0.00 -0.69 -0.82 119.26 121.97 3kvg h ALA 287 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kvg h ALA 287 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kvg h ALA 287 CO -0.01 0.20 0.12 -0.22 0.00 0.00 0.00 179.25 179.34 3kvg h LYS 288 N 0.68 0.26 -0.64 0.00 3.64 -0.93 -0.97 116.57 118.61 3kvg h LYS 288 Ca 0.18 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3kvg h LYS 288 Cb 0.08 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3kvg h LYS 288 CO -0.03 0.17 0.35 0.00 -2.27 0.00 0.00 179.45 177.68 3kvg h ARG 289 N 0.26 0.88 -0.70 1.90 3.08 -1.21 -2.42 114.38 116.17 3kvg h ARG 289 Ca 0.12 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kvg h ARG 289 Cb 0.06 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3kvg h ARG 289 CO -0.10 0.66 0.44 1.15 -1.07 0.00 0.00 179.97 181.05 3kvg h THR 290 N 0.87 1.19 0.00 2.04 2.02 -0.75 -2.37 112.91 115.91 3kvg h THR 290 Ca 0.22 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3kvg h THR 290 Cb 0.03 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3kvg h THR 290 CO -0.04 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.23 3kvg n LEU 291 N -4.41 0.00 0.12 2.58 4.77 -0.40 -0.31 117.00 119.36 3kvg n LEU 291 Ca 0.07 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.38 3kvg n LEU 291 Cb 0.06 -0.21 0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3kvg n LEU 291 CO 0.37 -0.10 0.30 0.28 -1.33 0.00 0.00 177.39 176.91 3kvg h SER 292 N 0.00 0.00 0.00 -1.43 0.02 -1.39 -3.39 113.55 107.37 3kvg h SER 292 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3kvg h SER 292 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3kvg h SER 292 CO 0.00 0.02 -1.00 -1.54 -1.14 0.00 0.00 176.83 173.17 3kvg n SER 293 N -2.67 4.98 -4.45 3.07 3.41 -0.86 -4.63 113.62 112.47 3kvg n SER 293 Ca 0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.40 3kvg n SER 293 Cb 0.52 0.84 -0.10 0.00 -0.26 0.00 0.00 64.21 65.21 3kvg n SER 293 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kvg s SER 294 N -2.30 3.31 0.02 4.04 0.01 0.58 -5.05 113.70 114.30 3kvg s SER 294 Ca 0.00 -1.08 0.23 0.00 1.31 0.00 0.00 55.95 56.42 3kvg s SER 294 Cb 0.00 -0.26 0.18 0.00 0.21 0.00 0.00 66.02 66.15 3kvg s SER 294 CO 0.00 -0.09 1.17 0.35 0.41 0.00 0.00 173.24 175.08 3kvg n THR 295 N -0.60 0.05 -4.36 1.44 -2.24 -1.26 -4.22 114.28 103.10 3kvg n THR 295 Ca -0.06 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 3kvg n THR 295 Cb 0.61 0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 69.13 3kvg n THR 295 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kvg s GLN 296 N -3.05 0.78 0.04 -0.78 -1.52 -1.26 -0.43 119.66 113.43 3kvg s GLN 296 Ca 0.08 -0.30 0.04 0.00 -1.95 0.00 0.00 55.36 53.23 3kvg s GLN 296 Cb 0.16 -0.75 -0.02 0.00 -0.22 0.00 0.00 33.01 32.18 3kvg s GLN 296 CO 0.77 0.16 -0.12 0.00 -0.25 0.00 0.00 175.29 175.85 3kvg s ALA 297 N -0.06 1.01 -0.08 6.09 0.00 0.10 -4.82 121.76 124.01 3kvg s ALA 297 Ca 0.01 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3kvg s ALA 297 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3kvg s ALA 297 CO -0.00 0.17 -0.21 0.99 0.00 0.00 0.00 175.76 176.70 3kvg s THR 298 N -0.93 1.84 -0.19 0.00 2.01 -1.26 -0.24 115.64 116.87 3kvg s THR 298 Ca -0.01 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 3kvg s THR 298 Cb -0.08 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 3kvg s THR 298 CO 0.01 0.51 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.77 3kvg s ILE 299 N 0.30 3.52 -0.22 1.82 1.01 -0.38 -4.94 121.20 122.32 3kvg s ILE 299 Ca -0.15 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 3kvg s ILE 299 Cb -0.16 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 39.83 3kvg s ILE 299 CO 0.07 0.46 0.17 -1.83 0.00 0.00 0.00 174.94 173.81 3kvg s GLU 300 N 0.96 0.16 -0.23 2.79 -1.05 -1.26 -0.79 118.70 119.28 3kvg s GLU 300 Ca -0.00 -0.04 0.01 0.00 -0.15 0.00 0.00 54.97 54.79 3kvg s GLU 300 Cb -0.15 -1.34 0.06 0.00 -0.44 0.00 0.00 34.13 32.26 3kvg s GLU 300 CO 0.01 -0.76 -0.05 -0.51 0.95 0.00 0.00 175.26 174.90 3kvg s LEU 301 N 2.24 2.50 0.46 1.83 1.43 0.18 -5.00 118.68 122.32 3kvg s LEU 301 Ca 0.06 -1.14 -0.22 0.00 -1.03 0.00 0.00 54.13 51.79 3kvg s LEU 301 Cb -0.16 -1.16 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 3kvg s LEU 301 CO -0.17 -0.23 1.12 1.51 0.23 0.00 0.00 176.35 178.81 3kvg s ASP 302 N 1.41 6.24 -1.54 2.29 -4.77 -1.26 -0.26 116.67 118.78 3kvg s ASP 302 Ca -0.05 2.19 -0.01 0.00 -3.30 0.00 0.00 52.55 51.38 3kvg s ASP 302 Cb -0.19 -2.59 0.01 0.00 -1.09 0.00 0.00 42.92 39.06 3kvg s ASP 302 CO -0.06 -0.86 0.11 -1.20 0.70 0.00 0.00 175.17 173.86 3kvg n SER 303 N -0.57 0.57 0.17 2.11 7.64 -1.25 -4.87 113.62 117.41 3kvg n SER 303 Ca 0.08 -1.23 -0.14 0.00 1.01 0.00 0.00 58.87 58.59 3kvg n SER 303 Cb 0.49 -1.87 -0.08 0.00 -1.01 0.00 0.00 64.21 61.74 3kvg n SER 303 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3kvg h LEU 304 N -1.76 -0.35 -7.31 -3.43 5.85 -1.25 -3.42 115.31 103.65 3kvg h LEU 304 Ca -0.65 -0.12 -0.28 0.00 0.84 0.00 0.00 57.88 57.67 3kvg h LEU 304 Cb 1.39 0.09 -0.34 0.00 0.37 0.00 0.00 40.66 42.17 3kvg h LEU 304 CO 0.70 -0.07 -0.62 -0.47 -0.34 0.00 0.00 178.44 177.64 3kvg s TYR 305 N -5.23 -0.18 -1.46 1.25 5.04 -1.18 -4.59 117.35 111.01 3kvg s TYR 305 Ca -0.15 0.57 -0.09 0.00 -2.44 0.00 0.00 57.07 54.96 3kvg s TYR 305 Cb 0.03 -0.20 0.04 0.00 0.35 0.00 0.00 41.96 42.18 3kvg s TYR 305 CO 0.59 -0.24 0.88 0.39 -1.34 0.00 0.00 175.55 175.83 3kvg n GLU 306 N 4.96 -5.85 -0.77 4.97 1.02 -1.26 -1.47 120.64 122.23 3kvg n GLU 306 Ca -0.12 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 3kvg n GLU 306 Cb 0.50 -5.66 0.00 0.00 -0.02 0.00 0.00 31.44 26.26 3kvg n GLU 306 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kvg n GLY 307 N -1.68 0.82 3.68 0.62 0.00 -1.26 -5.00 105.19 102.37 3kvg n GLY 307 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3kvg n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvg s ILE 308 N -3.02 4.72 0.41 -0.61 -1.09 -0.55 -4.30 121.20 116.76 3kvg s ILE 308 Ca 0.00 2.00 -0.24 0.00 -2.23 0.00 0.00 60.65 60.18 3kvg s ILE 308 Cb 0.00 -4.29 -0.09 0.00 -1.58 0.00 0.00 42.46 36.51 3kvg s ILE 308 CO 0.00 -0.01 1.07 -1.81 -1.23 0.00 0.00 174.94 172.96 3kvg s ASP 309 N 1.14 6.66 -0.03 3.58 1.01 -1.26 -1.13 116.67 126.63 3kvg s ASP 309 Ca 0.49 2.10 0.02 0.00 0.71 0.00 0.00 52.55 55.86 3kvg s ASP 309 Cb -0.19 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.16 3kvg s ASP 309 CO 0.17 -0.57 -0.07 -0.47 0.21 0.00 0.00 175.17 174.44 3kvg s TYR 310 N -1.63 0.85 -0.04 4.23 5.04 0.65 -4.89 117.35 121.56 3kvg s TYR 310 Ca 0.59 -0.22 -0.13 0.00 -2.44 0.00 0.00 57.07 54.86 3kvg s TYR 310 Cb -0.23 -0.65 0.02 0.00 0.35 0.00 0.00 41.96 41.45 3kvg s TYR 310 CO 0.29 -0.13 0.29 -1.54 -1.34 0.00 0.00 175.55 173.12 3kvg s SER 311 N 0.43 -0.20 -0.13 4.32 1.04 -1.26 0.51 113.70 118.41 3kvg s SER 311 Ca -0.06 0.20 -0.22 0.00 0.48 0.00 0.00 55.95 56.35 3kvg s SER 311 Cb -0.10 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.46 3kvg s SER 311 CO 0.01 -0.34 0.55 0.54 0.98 0.00 0.00 173.24 174.97 3kvg s VAL 312 N -0.92 0.01 -0.28 5.02 0.11 0.03 -4.99 120.40 119.38 3kvg s VAL 312 Ca -0.10 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 58.74 3kvg s VAL 312 Cb -0.05 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 3kvg s VAL 312 CO 0.03 -0.05 0.20 0.00 -3.33 0.00 0.00 175.10 171.95 3kvg s ALA 313 N -0.44 3.54 -0.23 1.54 0.00 -1.26 -1.25 121.76 123.65 3kvg s ALA 313 Ca -0.06 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 3kvg s ALA 313 Cb -0.03 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 20.61 3kvg s ALA 313 CO 0.04 -0.54 -0.04 0.42 0.00 0.00 0.00 175.76 175.63 3kvg s ILE 314 N 1.75 3.22 0.46 0.00 1.01 0.67 -4.98 121.20 123.33 3kvg s ILE 314 Ca 0.08 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 3kvg s ILE 314 Cb -0.16 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 3kvg s ILE 314 CO 0.11 0.33 0.74 -0.94 0.00 0.00 0.00 174.94 175.18 3kvg s SER 315 N 1.43 6.24 0.22 3.58 1.04 -1.26 0.02 113.70 124.96 3kvg s SER 315 Ca 0.04 0.82 -0.10 0.00 0.48 0.00 0.00 55.95 57.19 3kvg s SER 315 Cb -0.15 -2.17 0.17 0.00 0.10 0.00 0.00 66.02 63.97 3kvg s SER 315 CO -0.04 -0.54 1.88 -0.09 0.98 0.00 0.00 173.24 175.43 3kvg h ARG 316 N 0.31 1.06 -0.40 4.02 2.43 -1.04 -1.80 114.38 118.96 3kvg h ARG 316 Ca -0.47 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.66 3kvg h ARG 316 Cb 1.21 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 3kvg h ARG 316 CO 0.61 0.71 0.21 0.00 -1.51 0.00 0.00 179.97 179.99 3kvg h ALA 317 N 1.29 0.50 -0.23 2.80 0.00 -1.95 0.26 119.26 121.93 3kvg h ALA 317 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kvg h ALA 317 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kvg h ALA 317 CO -0.06 -0.15 0.14 -0.09 0.00 0.00 0.00 179.25 179.09 3kvg h ARG 318 N 0.42 0.31 -0.22 0.00 9.65 -1.87 0.82 114.38 123.50 3kvg h ARG 318 Ca 0.17 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.04 3kvg h ARG 318 Cb 0.07 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3kvg h ARG 318 CO -0.12 0.23 0.12 0.35 2.80 0.00 0.00 179.97 183.36 3kvg h PHE 319 N 0.29 0.23 -0.80 2.20 3.57 -0.96 0.21 116.94 121.68 3kvg h PHE 319 Ca 0.08 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.64 3kvg h PHE 319 Cb -0.00 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 3kvg h PHE 319 CO -0.05 0.14 0.50 0.93 -2.23 0.00 0.00 178.31 177.60 3kvg h GLU 320 N 0.26 0.92 -0.58 1.11 5.08 -0.75 -2.03 114.58 118.59 3kvg h GLU 320 Ca 0.08 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3kvg h GLU 320 Cb -0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3kvg h GLU 320 CO -0.04 0.61 0.17 0.93 -1.00 0.00 0.00 179.01 179.68 3kvg h GLU 321 N 0.95 0.91 0.00 2.33 5.08 -0.45 -0.62 114.58 122.78 3kvg h GLU 321 Ca 0.33 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3kvg h GLU 321 Cb 0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3kvg h GLU 321 CO -0.14 0.83 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.38 3kvg h LEU 322 N 0.82 0.00 -3.17 1.33 3.38 -0.30 -3.00 115.31 114.37 3kvg h LEU 322 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kvg h LEU 322 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kvg h LEU 322 CO -0.00 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.77 3kvg h ALA 324 N 1.38 1.11 -0.32 0.00 0.00 -0.96 -1.34 119.26 119.14 3kvg h ALA 324 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3kvg h ALA 324 Cb 1.27 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3kvg h ALA 324 CO 0.15 -0.26 -0.11 0.38 0.00 0.00 0.00 179.25 179.41 3kvg h ASP 325 N 0.40 0.65 -0.19 0.00 2.03 -1.87 -2.82 116.42 114.62 3kvg h ASP 325 Ca 0.45 -0.38 -0.01 0.00 -0.73 0.00 0.00 57.03 56.36 3kvg h ASP 325 Cb 0.73 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 3kvg h ASP 325 CO -0.46 0.89 0.09 1.88 -1.03 0.00 0.00 179.24 180.62 3kvg h TYR 326 N 0.41 0.27 -0.59 4.15 0.05 -1.76 -1.56 116.97 117.93 3kvg h TYR 326 Ca 0.08 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 3kvg h TYR 326 Cb 0.62 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 3kvg h TYR 326 CO 0.05 0.28 0.17 0.74 -1.05 0.00 0.00 178.16 178.35 3kvg h PHE 327 N 0.18 0.93 -0.40 4.88 0.04 -1.31 -2.82 116.94 118.44 3kvg h PHE 327 Ca 0.07 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 3kvg h PHE 327 Cb 0.10 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 3kvg h PHE 327 CO -0.03 0.76 -0.12 0.00 -0.60 0.00 0.00 178.31 178.32 3kvg h ARG 328 N 0.88 0.79 0.00 1.51 3.08 -1.42 -3.06 114.38 116.15 3kvg h ARG 328 Ca 0.19 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3kvg h ARG 328 Cb 0.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3kvg h ARG 328 CO -0.01 0.93 0.00 0.00 -1.07 0.00 0.00 179.97 179.83 3kvg n ALA 329 N -2.46 1.23 0.19 0.04 0.00 -0.59 -2.20 120.51 116.72 3kvg n ALA 329 Ca -0.01 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.58 3kvg n ALA 329 Cb 0.38 -1.23 0.33 0.00 0.00 0.00 0.00 19.45 18.93 3kvg n ALA 329 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kvg h THR 330 N 0.00 0.76 0.00 0.00 1.35 -1.44 -3.25 112.91 110.32 3kvg h THR 330 Ca 0.00 -1.49 -0.12 0.00 -0.55 0.00 0.00 66.41 64.25 3kvg h THR 330 Cb 0.10 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 3kvg h THR 330 CO 0.00 0.33 -0.55 -0.07 -0.25 0.00 0.00 175.52 174.98 3kvg h LEU 331 N 0.00 0.00 0.06 3.87 3.38 -1.64 -3.34 115.31 117.64 3kvg h LEU 331 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kvg h LEU 331 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3kvg h LEU 331 CO 0.04 0.55 -0.03 0.00 0.09 0.00 0.00 178.44 179.10 3kvg h ALA 332 N 1.45 -0.08 0.00 1.53 0.00 -1.74 -2.42 119.26 118.00 3kvg h ALA 332 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kvg h ALA 332 Cb 1.16 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kvg h ALA 332 CO 0.07 -0.55 -0.02 -1.35 0.00 0.00 0.00 179.25 177.40 3kvg h PRO 333 N -0.09 0.00 -0.30 0.00 0.11 -1.76 0.42 132.00 130.38 3kvg h PRO 333 Ca -0.01 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3kvg h PRO 333 Cb 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3kvg h PRO 333 CO 0.01 0.02 -0.44 0.28 -0.21 0.00 0.00 178.00 177.66 3kvg h VAL 334 N 0.00 1.29 -0.32 3.15 2.07 -1.59 -1.62 116.25 119.22 3kvg h VAL 334 Ca -0.00 -1.63 -0.17 0.00 0.82 0.00 0.00 66.70 65.71 3kvg h VAL 334 Cb 0.14 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3kvg h VAL 334 CO 0.00 0.53 -0.49 -0.33 0.02 0.00 0.00 177.57 177.31 3kvg h GLU 335 N 0.63 0.88 -0.62 1.57 5.08 -0.62 -2.87 114.58 118.63 3kvg h GLU 335 Ca 0.04 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3kvg h GLU 335 Cb 1.01 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3kvg h GLU 335 CO 0.10 1.16 0.32 -0.22 -1.00 0.00 0.00 179.01 179.37 3kvg h LYS 336 N 0.69 0.87 -0.45 2.33 1.63 -0.84 -0.40 116.57 120.41 3kvg h LYS 336 Ca 0.03 -0.11 -0.13 0.00 -0.85 0.00 0.00 60.65 59.59 3kvg h LYS 336 Cb 1.08 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 3kvg h LYS 336 CO 0.11 0.68 -0.23 -0.39 -3.45 0.00 0.00 179.45 176.17 3kvg h VAL 337 N 0.84 1.27 -0.43 2.00 -1.51 -1.30 -0.82 116.25 116.30 3kvg h VAL 337 Ca 0.22 -1.39 -0.09 0.00 -1.23 0.00 0.00 66.70 64.21 3kvg h VAL 337 Cb 0.08 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 3kvg h VAL 337 CO -0.03 0.47 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.65 3kvg h LEU 338 N 0.79 0.81 0.16 4.19 3.38 -1.40 -2.51 115.31 120.73 3kvg h LEU 338 Ca 0.10 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kvg h LEU 338 Cb 0.81 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kvg h LEU 338 CO 0.07 0.96 -0.08 0.50 0.09 0.00 0.00 178.44 179.98 3kvg h LYS 339 N 0.64 -0.20 -0.93 1.13 3.64 -1.04 0.42 116.57 120.22 3kvg h LYS 339 Ca 0.11 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 3kvg h LYS 339 Cb 0.59 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 3kvg h LYS 339 CO 0.04 0.04 0.59 -0.44 -2.27 0.00 0.00 179.45 177.41 3kvg h ASP 340 N -0.43 0.67 0.19 4.20 3.32 -1.15 0.53 116.42 123.74 3kvg h ASP 340 Ca -0.02 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kvg h ASP 340 Cb 0.34 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3kvg h ASP 340 CO 0.04 0.31 -0.23 0.00 -1.72 0.00 0.00 179.24 177.63 3kvg n ALA 341 N -2.42 3.03 -3.41 3.45 0.00 -0.95 -4.96 120.51 115.26 3kvg n ALA 341 Ca 0.19 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 3kvg n ALA 341 Cb 0.52 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.93 3kvg n ALA 341 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvg n GLY 342 N 1.32 -0.55 3.16 0.00 0.00 0.18 -5.02 105.19 104.28 3kvg n GLY 342 Ca 0.13 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 3kvg n GLY 342 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kvg s MET 343 N -5.19 1.13 0.23 1.61 0.00 0.14 -5.02 119.30 112.20 3kvg s MET 343 Ca 0.11 -0.72 -0.11 0.00 0.00 0.00 0.00 55.69 54.97 3kvg s MET 343 Cb -0.02 -1.14 -0.07 0.00 0.00 0.00 0.00 34.83 33.60 3kvg s MET 343 CO 0.74 0.30 0.57 0.34 0.00 0.00 0.00 175.02 176.96 3kvg s ASP 344 N -0.89 6.66 0.47 1.11 2.15 -1.26 -4.29 116.67 120.62 3kvg s ASP 344 Ca 0.04 0.97 0.14 0.00 0.43 0.00 0.00 52.55 54.14 3kvg s ASP 344 Cb -0.07 -2.25 1.11 0.00 -0.30 0.00 0.00 42.92 41.41 3kvg s ASP 344 CO 0.01 -0.07 2.06 0.07 -0.17 0.00 0.00 175.17 177.07 3kvg h LYS 345 N 2.61 0.25 0.00 4.34 2.10 -1.98 -1.41 116.57 122.48 3kvg h LYS 345 Ca -0.47 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3kvg h LYS 345 Cb 1.17 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3kvg h LYS 345 CO 0.68 0.17 0.00 -0.09 -2.00 0.00 0.00 179.45 178.21 3kvg h ARG 346 N 0.26 0.00 0.00 0.07 2.43 -1.96 -2.68 114.38 112.50 3kvg h ARG 346 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kvg h ARG 346 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3kvg h ARG 346 CO -0.03 0.00 0.00 0.77 -1.51 0.00 0.00 179.97 179.20 3kvg h SER 347 N 0.00 0.00 -2.91 -3.80 0.02 -1.65 -3.45 113.55 101.76 3kvg h SER 347 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 3kvg h SER 347 Cb 0.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3kvg h SER 347 CO 0.00 0.00 0.86 -0.69 -1.14 0.00 0.00 176.83 175.86 3kvg s VAL 348 N -3.17 4.04 -0.02 2.27 1.01 -1.01 -4.58 120.40 118.94 3kvg s VAL 348 Ca 0.09 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.45 3kvg s VAL 348 Cb 0.11 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.39 3kvg s VAL 348 CO 0.57 -0.06 0.77 0.45 0.00 0.00 0.00 175.10 176.83 3kvg h HIS 349 N 8.13 0.17 -3.49 5.22 -0.00 -1.13 -3.47 115.15 120.59 3kvg h HIS 349 Ca -0.33 -0.13 -0.37 0.00 -0.00 0.00 0.00 60.37 59.55 3kvg h HIS 349 Cb 1.14 -0.01 -0.34 0.00 -0.00 0.00 0.00 27.41 28.21 3kvg h HIS 349 CO 0.78 1.19 -0.76 -0.51 -0.00 0.00 0.00 177.93 178.64 3kvg s ASP 350 N -6.52 0.59 -0.30 2.45 1.01 -1.05 -5.04 116.67 107.82 3kvg s ASP 350 Ca -0.07 -0.06 -0.06 0.00 0.71 0.00 0.00 52.55 53.07 3kvg s ASP 350 Cb 0.08 -0.30 0.02 0.00 1.01 0.00 0.00 42.92 43.73 3kvg s ASP 350 CO 0.82 -0.08 0.07 -0.69 0.21 0.00 0.00 175.17 175.50 3kvg s VAL 351 N 0.97 3.77 -0.22 -1.27 1.01 -1.26 -0.60 120.40 122.79 3kvg s VAL 351 Ca -0.11 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 3kvg s VAL 351 Cb -0.14 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3kvg s VAL 351 CO -0.01 0.04 0.07 -0.69 0.00 0.00 0.00 175.10 174.51 3kvg s VAL 352 N 1.45 4.54 -0.32 2.92 1.01 0.76 -0.08 120.40 130.68 3kvg s VAL 352 Ca 0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 3kvg s VAL 352 Cb -0.18 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 3kvg s VAL 352 CO 0.02 0.38 0.70 -0.76 0.00 0.00 0.00 175.10 175.43 3kvg s LEU 353 N 1.15 4.14 0.08 3.92 1.43 -0.79 -0.87 118.68 127.75 3kvg s LEU 353 Ca 0.05 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 3kvg s LEU 353 Cb -0.14 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3kvg s LEU 353 CO 0.03 -0.57 -0.16 -0.69 0.23 0.00 0.00 176.35 175.20 3kvg s VAL 354 N 2.79 1.27 0.00 -1.59 1.01 -0.49 -4.59 120.40 118.79 3kvg s VAL 354 Ca 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3kvg s VAL 354 Cb -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3kvg s VAL 354 CO 0.13 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3kvg n GLY 355 N 1.26 0.29 0.38 4.51 0.00 0.33 -1.66 105.19 110.31 3kvg n GLY 355 Ca -0.21 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.58 3kvg n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kvg h GLY 356 N 0.00 0.55 1.97 -0.02 0.00 -1.79 -1.72 103.07 102.06 3kvg h GLY 356 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3kvg h GLY 356 CO 0.00 0.05 0.00 1.44 0.00 0.00 0.00 176.54 178.03 3kvg n SER 357 N -4.45 0.00 0.00 0.19 7.64 -0.68 -2.47 113.62 113.85 3kvg n SER 357 Ca 0.13 0.47 0.14 0.00 1.01 0.00 0.00 58.87 60.62 3kvg n SER 357 Cb 0.54 -0.48 0.79 0.00 -1.01 0.00 0.00 64.21 64.05 3kvg n SER 357 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kvg n THR 358 N -1.48 0.04 0.49 0.44 -2.24 -0.65 -2.70 114.28 108.19 3kvg n THR 358 Ca 0.04 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 3kvg n THR 358 Cb 0.19 -0.57 0.42 0.00 -2.10 0.00 0.00 70.33 68.27 3kvg n THR 358 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3kvg h ARG 359 N 0.00 0.00 -6.26 -0.78 3.08 -1.69 -3.42 114.38 105.32 3kvg h ARG 359 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3kvg h ARG 359 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3kvg h ARG 359 CO 0.00 0.00 1.14 0.42 -1.07 0.00 0.00 179.97 180.46 3kvg s ILE 360 N -3.21 3.60 0.29 2.04 1.01 -1.10 -4.82 121.20 119.01 3kvg s ILE 360 Ca 0.08 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.45 3kvg s ILE 360 Cb 0.10 -3.58 0.28 0.00 0.01 0.00 0.00 42.46 39.28 3kvg s ILE 360 CO 0.55 -0.20 1.72 -0.65 0.00 0.00 0.00 174.94 176.35 3kvg h PRO 361 N 10.69 0.47 -0.85 2.79 0.11 -1.87 -1.81 132.00 141.54 3kvg h PRO 361 Ca -0.36 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 3kvg h PRO 361 Cb 1.17 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3kvg h PRO 361 CO 0.98 0.31 0.40 -0.22 -0.21 0.00 0.00 178.00 179.27 3kvg h LYS 362 N 0.49 1.23 -0.59 1.05 1.63 -1.96 -0.16 116.57 118.25 3kvg h LYS 362 Ca 0.55 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 60.14 3kvg h LYS 362 Cb 0.98 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 3kvg h LYS 362 CO -0.48 0.94 0.26 0.28 -3.45 0.00 0.00 179.45 177.01 3kvg h VAL 363 N 1.21 1.22 -0.41 2.00 2.07 -1.70 -1.40 116.25 119.25 3kvg h VAL 363 Ca 0.29 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3kvg h VAL 363 Cb 0.13 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3kvg h VAL 363 CO -0.04 0.26 0.13 1.56 0.02 0.00 0.00 177.57 179.50 3kvg h GLN 364 N 0.81 0.63 -0.75 1.57 4.20 -0.94 -2.62 115.11 118.01 3kvg h GLN 364 Ca 0.20 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3kvg h GLN 364 Cb 0.16 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3kvg h GLN 364 CO -0.02 0.63 0.27 0.00 -0.67 0.00 0.00 178.83 179.04 3kvg h ALA 365 N 0.98 1.06 -0.47 3.87 0.00 -0.88 -1.79 119.26 122.03 3kvg h ALA 365 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3kvg h ALA 365 Cb 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kvg h ALA 365 CO -0.00 0.65 -0.08 -0.07 0.00 0.00 0.00 179.25 179.75 3kvg h LEU 366 N 1.10 0.88 -0.17 0.00 3.38 -1.18 -0.81 115.31 118.51 3kvg h LEU 366 Ca 0.25 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3kvg h LEU 366 Cb 0.25 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kvg h LEU 366 CO -0.01 1.02 -0.19 0.40 0.09 0.00 0.00 178.44 179.75 3kvg h ILE 367 N 0.73 1.34 -0.85 1.22 2.04 -1.37 -1.87 117.51 118.75 3kvg h ILE 367 Ca 0.12 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 3kvg h ILE 367 Cb 0.61 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3kvg h ILE 367 CO 0.04 0.41 0.41 -0.61 0.00 0.00 0.00 178.15 178.40 3kvg h GLN 368 N 0.06 1.23 -0.39 2.37 4.15 -1.33 -0.69 115.11 120.51 3kvg h GLN 368 Ca 0.02 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 3kvg h GLN 368 Cb 0.73 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 3kvg h GLN 368 CO 0.05 0.94 0.13 1.49 -1.93 0.00 0.00 178.83 179.51 3kvg h GLU 369 N 1.21 0.61 -0.99 1.69 4.81 -1.14 0.21 114.58 120.98 3kvg h GLU 369 Ca 0.29 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3kvg h GLU 369 Cb 0.12 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 3kvg h GLU 369 CO -0.04 0.60 0.65 0.35 -0.73 0.00 0.00 179.01 179.84 3kvg h PHE 370 N 0.49 1.22 -0.27 0.92 3.57 -0.90 -1.63 116.94 120.34 3kvg h PHE 370 Ca 0.13 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3kvg h PHE 370 Cb 0.24 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3kvg h PHE 370 CO 0.01 0.70 0.04 1.19 -2.23 0.00 0.00 178.31 178.01 3kvg n PHE 371 N -4.45 0.94 -3.87 0.41 3.01 -0.30 -4.92 117.46 108.28 3kvg n PHE 371 Ca 0.13 -0.40 -0.26 0.00 1.01 0.00 0.00 57.45 57.93 3kvg n PHE 371 Cb 0.09 -0.31 0.01 0.00 -0.01 0.00 0.00 39.48 39.26 3kvg n PHE 371 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3kvg n ASN 372 N 0.21 -2.15 0.00 4.37 4.13 -0.61 -2.62 115.26 118.59 3kvg n ASN 372 Ca 0.13 -0.87 0.00 0.00 1.68 0.00 0.00 54.58 55.52 3kvg n ASN 372 Cb 0.70 -3.65 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 3kvg n ASN 372 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kvg n GLY 373 N -1.69 0.76 3.71 7.41 0.00 0.70 -5.02 105.19 111.05 3kvg n GLY 373 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3kvg n GLY 373 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kvg s LYS 374 N -0.26 4.18 0.01 1.61 2.20 -1.08 -4.96 119.74 121.44 3kvg s LYS 374 Ca 0.00 2.46 -0.30 0.00 -0.36 0.00 0.00 55.97 57.76 3kvg s LYS 374 Cb 0.00 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 3kvg s LYS 374 CO 0.00 -0.72 1.34 -1.21 -0.36 0.00 0.00 175.35 174.40 3kvg s GLU 375 N 1.81 4.32 0.76 4.03 0.41 -1.26 -4.74 118.70 124.03 3kvg s GLU 375 Ca 0.74 1.90 -0.10 0.00 -0.41 0.00 0.00 54.97 57.10 3kvg s GLU 375 Cb -0.45 -3.50 0.06 0.00 -1.78 0.00 0.00 34.13 28.47 3kvg s GLU 375 CO 0.33 -0.49 1.11 -1.25 -0.49 0.00 0.00 175.26 174.47 3kvg s PRO 376 N 2.04 2.16 -0.48 0.39 0.04 -1.26 -4.79 135.00 133.09 3kvg s PRO 376 Ca 0.62 0.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.43 3kvg s PRO 376 Cb -0.30 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.23 3kvg s PRO 376 CO 0.26 -1.40 0.99 0.00 0.04 0.00 0.00 177.00 176.89 3kvg n LYS 378 N 7.43 0.00 0.16 0.00 2.85 -1.26 -1.88 118.16 125.46 3kvg n LYS 378 Ca 0.07 -0.43 0.04 0.00 -1.05 0.00 0.00 58.31 56.94 3kvg n LYS 378 Cb 0.49 -0.43 0.46 0.00 -0.65 0.00 0.00 35.03 34.89 3kvg n LYS 378 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kvg h ALA 379 N 0.00 1.64 -2.76 0.58 0.00 -1.96 -3.41 119.26 113.35 3kvg h ALA 379 Ca 0.00 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.18 3kvg h ALA 379 Cb 1.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3kvg h ALA 379 CO 0.00 0.27 -0.05 0.42 0.00 0.00 0.00 179.25 179.89 3kvg s ILE 380 N -4.79 4.94 -0.24 0.00 1.01 -1.26 -5.00 121.20 115.86 3kvg s ILE 380 Ca -0.05 1.17 -0.40 0.00 0.00 0.00 0.00 60.65 61.37 3kvg s ILE 380 Cb 0.16 -3.90 -0.16 0.00 0.01 0.00 0.00 42.46 38.57 3kvg s ILE 380 CO 0.71 0.43 1.67 0.59 0.00 0.00 0.00 174.94 178.34 3kvg n ASN 381 N 2.69 2.17 0.21 3.58 3.02 -1.26 -4.79 115.26 120.88 3kvg n ASN 381 Ca -0.08 1.09 0.12 0.00 -0.03 0.00 0.00 54.58 55.69 3kvg n ASN 381 Cb 0.51 -1.13 0.71 0.00 -0.61 0.00 0.00 39.78 39.27 3kvg n ASN 381 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kvg h PRO 382 N 6.63 0.00 -0.11 3.52 0.13 -1.85 -0.67 132.00 139.65 3kvg h PRO 382 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kvg h PRO 382 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3kvg h PRO 382 CO 0.93 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.30 3kvg n ASP 383 N -4.33 1.33 -0.00 1.44 5.75 -1.26 -0.52 116.55 118.97 3kvg n ASP 383 Ca 0.00 -1.61 0.01 0.00 -0.01 0.00 0.00 54.79 53.19 3kvg n ASP 383 Cb 0.22 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 3kvg n ASP 383 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kvg n GLU 384 N 0.09 1.57 -0.29 0.11 1.02 -0.33 -4.80 120.64 118.02 3kvg n GLU 384 Ca 0.17 -0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.30 3kvg n GLU 384 Cb 0.29 -0.95 0.14 0.00 -0.02 0.00 0.00 31.44 30.90 3kvg n GLU 384 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kvg h ALA 385 N 0.26 1.13 -0.37 0.62 0.00 -1.48 -0.51 119.26 118.91 3kvg h ALA 385 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kvg h ALA 385 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kvg h ALA 385 CO 0.00 0.19 0.11 0.28 0.00 0.00 0.00 179.25 179.83 3kvg h VAL 386 N 0.87 1.21 -0.65 0.00 2.07 -1.86 -0.57 116.25 117.33 3kvg h VAL 386 Ca 0.37 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3kvg h VAL 386 Cb 0.22 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3kvg h VAL 386 CO -0.19 0.24 0.07 0.00 0.02 0.00 0.00 177.57 177.71 3kvg h ALA 387 N 0.95 0.90 0.13 1.67 0.00 -1.80 0.08 119.26 121.19 3kvg h ALA 387 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kvg h ALA 387 Cb 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kvg h ALA 387 CO -0.00 0.67 -0.09 -0.92 0.00 0.00 0.00 179.25 178.90 3kvg h TYR 388 N 1.01 -0.23 -0.79 0.00 3.20 -0.90 -0.71 116.97 118.55 3kvg h TYR 388 Ca 0.19 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 3kvg h TYR 388 Cb 0.48 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 3kvg h TYR 388 CO 0.03 -0.14 0.39 0.78 -1.64 0.00 0.00 178.16 177.58 3kvg h GLY 389 N -0.22 1.22 1.50 1.82 0.00 -0.91 -2.06 103.07 104.43 3kvg h GLY 389 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 3kvg h GLY 389 CO -0.00 0.57 0.08 0.00 0.00 0.00 0.00 176.54 177.19 3kvg h ALA 390 N 1.20 1.36 -0.32 3.60 0.00 -0.77 -1.74 119.26 122.59 3kvg h ALA 390 Ca 0.27 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3kvg h ALA 390 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kvg h ALA 390 CO -0.04 0.46 -0.41 0.00 0.00 0.00 0.00 179.25 179.26 3kvg h ALA 391 N 1.48 0.67 -0.04 0.00 0.00 -0.63 -0.52 119.26 120.22 3kvg h ALA 391 Ca 0.14 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kvg h ALA 391 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kvg h ALA 391 CO 0.00 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.21 3kvg h VAL 392 N 0.64 1.15 -0.91 0.00 2.07 -1.11 -1.93 116.25 116.15 3kvg h VAL 392 Ca 0.05 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3kvg h VAL 392 Cb 0.97 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3kvg h VAL 392 CO 0.09 0.12 0.60 -0.61 0.02 0.00 0.00 177.57 177.79 3kvg h GLN 393 N -0.10 1.18 -0.81 1.57 5.75 -1.26 -2.41 115.11 119.02 3kvg h GLN 393 Ca 0.01 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3kvg h GLN 393 Cb 0.18 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3kvg h GLN 393 CO -0.00 0.78 0.50 0.00 -2.65 0.00 0.00 178.83 177.47 3kvg h ALA 394 N 1.34 1.03 -0.42 3.38 0.00 -0.89 -1.57 119.26 122.13 3kvg h ALA 394 Ca 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kvg h ALA 394 Cb -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 3kvg h ALA 394 CO -0.08 0.48 0.16 0.00 0.00 0.00 0.00 179.25 179.81 3kvg h ALA 395 N 1.27 0.55 0.18 0.00 0.00 -1.05 0.52 119.26 120.73 3kvg h ALA 395 Ca 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kvg h ALA 395 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kvg h ALA 395 CO -0.06 0.16 -0.14 0.82 0.00 0.00 0.00 179.25 180.03 3kvg h ILE 396 N 0.54 0.69 -0.12 0.00 2.04 -1.09 -2.09 117.51 117.48 3kvg h ILE 396 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 3kvg h ILE 396 Cb 0.21 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3kvg h ILE 396 CO -0.01 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.96 3kvg h LEU 397 N -0.33 0.17 -0.15 1.44 3.38 -1.17 -2.14 115.31 116.51 3kvg h LEU 397 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kvg h LEU 397 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kvg h LEU 397 CO -0.01 0.30 0.00 -3.20 0.09 0.00 0.00 178.44 175.62 3kvg n ASN 398 N -4.32 0.77 0.00 -0.43 5.15 0.16 -5.09 115.26 111.50 3kvg n ASN 398 Ca -0.01 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.56 3kvg n ASN 398 Cb 0.24 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 38.70 3kvg n ASN 398 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27