#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 3.85 -0.01 1.61 0.04 -1.26 -4.94 135.00 134.29 3kvg s PRO 20 Ca 0.00 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.30 3kvg s PRO 20 Cb 0.00 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3kvg s PRO 20 CO 0.00 -0.37 -0.01 0.00 0.04 0.00 0.00 177.00 176.66 3kvg s ALA 21 N -2.15 3.22 0.23 8.56 0.00 -1.26 -4.27 121.76 126.09 3kvg s ALA 21 Ca 0.65 -0.94 0.10 0.00 0.00 0.00 0.00 51.96 51.77 3kvg s ALA 21 Cb -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3kvg s ALA 21 CO 0.22 0.63 -0.08 0.96 0.00 0.00 0.00 175.76 177.48 3kvg s ILE 22 N -1.03 3.12 -0.18 0.00 -4.36 -0.44 -4.48 121.20 113.83 3kvg s ILE 22 Ca 0.18 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.64 3kvg s ILE 22 Cb -0.11 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.98 3kvg s ILE 22 CO 0.08 -0.27 -0.13 -0.83 0.24 0.00 0.00 174.94 174.03 3kvg s GLY 23 N -3.29 1.49 -0.16 6.27 0.00 0.40 -1.81 107.32 110.22 3kvg s GLY 23 Ca 0.28 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.89 3kvg s GLY 23 CO 0.17 0.19 -0.17 -0.42 0.00 0.00 0.00 173.10 172.87 3kvg s ILE 24 N 1.10 2.41 -0.54 0.90 1.01 0.10 -0.34 121.20 125.84 3kvg s ILE 24 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 3kvg s ILE 24 Cb -0.14 -2.01 0.07 0.00 0.01 0.00 0.00 42.46 40.39 3kvg s ILE 24 CO -0.04 0.52 0.67 -0.62 0.00 0.00 0.00 174.94 175.47 3kvg s ASP 25 N 0.97 6.21 -0.97 3.58 2.15 0.27 -2.07 116.67 126.82 3kvg s ASP 25 Ca -0.03 -1.04 -0.16 0.00 0.43 0.00 0.00 52.55 51.75 3kvg s ASP 25 Cb -0.15 -2.30 0.16 0.00 -0.30 0.00 0.00 42.92 40.33 3kvg s ASP 25 CO -0.04 -0.98 1.11 -0.22 -0.17 0.00 0.00 175.17 174.87 3kvg s LEU 26 N 2.73 5.48 0.67 -1.34 2.96 -1.26 -1.68 118.68 126.23 3kvg s LEU 26 Ca 0.15 -2.43 -0.11 0.00 -0.22 0.00 0.00 54.13 51.52 3kvg s LEU 26 Cb -0.20 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.14 3kvg s LEU 26 CO 0.10 -0.86 1.05 -0.83 -1.32 0.00 0.00 176.35 174.49 3kvg s GLY 27 N 3.06 1.63 0.16 7.98 0.00 -1.01 -4.94 107.32 114.20 3kvg s GLY 27 Ca 0.31 -0.35 -0.11 0.00 0.00 0.00 0.00 44.72 44.57 3kvg s GLY 27 CO -0.08 -0.01 1.64 -0.84 0.00 0.00 0.00 173.10 173.81 3kvg h THR 28 N -0.51 1.26 0.00 0.90 2.02 -1.97 -3.37 112.91 111.23 3kvg h THR 28 Ca -0.45 -1.00 -0.20 0.00 0.77 0.00 0.00 66.41 65.53 3kvg h THR 28 Cb 1.24 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3kvg h THR 28 CO 0.63 0.36 -1.76 0.35 0.37 0.00 0.00 175.52 175.47 3kvg n THR 29 N -4.33 0.77 -4.38 3.16 -2.24 -1.26 -4.07 114.28 101.92 3kvg n THR 29 Ca 0.02 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.30 3kvg n THR 29 Cb 0.28 -0.95 -0.14 0.00 -2.10 0.00 0.00 70.33 67.42 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 -2.27 0.92 0.09 4.78 2.02 -1.26 0.27 117.35 121.90 3kvg s TYR 30 Ca -0.17 -0.21 0.06 0.00 -0.37 0.00 0.00 57.07 56.38 3kvg s TYR 30 Cb 0.04 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 3kvg s TYR 30 CO 0.32 -0.01 -0.05 -1.12 -1.57 0.00 0.00 175.55 173.13 3kvg s SER 31 N -0.44 4.74 -0.06 2.29 0.01 0.86 -2.39 113.70 118.71 3kvg s SER 31 Ca 0.03 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 56.97 3kvg s SER 31 Cb -0.05 -1.04 0.02 0.00 0.21 0.00 0.00 66.02 65.16 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 0.33 2.35 0.16 0.00 1.01 -1.26 -0.56 120.40 122.43 3kvg s VAL 33 Ca -0.02 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.12 3kvg s VAL 33 Cb -0.03 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3kvg s VAL 33 CO -0.01 0.56 -0.19 -0.83 0.00 0.00 0.00 175.10 174.63 3kvg s GLY 34 N 0.04 1.69 -0.09 4.51 0.00 0.53 -1.02 107.32 112.99 3kvg s GLY 34 Ca -0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 3kvg s GLY 34 CO 0.05 -1.50 0.16 0.54 0.00 0.00 0.00 173.10 172.36 3kvg s VAL 35 N -1.45 -0.26 0.01 1.40 0.11 -0.08 -0.45 120.40 119.69 3kvg s VAL 35 Ca 0.20 0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 59.28 3kvg s VAL 35 Cb -0.09 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 3kvg s VAL 35 CO 0.11 0.12 0.92 0.86 -3.33 0.00 0.00 175.10 173.78 3kvg s TRP 36 N 2.29 3.68 -0.15 1.54 -0.00 -1.26 -0.68 118.94 124.35 3kvg s TRP 36 Ca 0.03 1.63 -0.07 0.00 -0.00 0.00 0.00 56.10 57.69 3kvg s TRP 36 Cb -0.12 -3.04 0.06 0.00 -0.00 0.00 0.00 33.47 30.36 3kvg s TRP 36 CO -0.06 0.06 0.34 1.03 -0.00 0.00 0.00 176.95 178.32 3kvg s ARG 37 N 0.76 0.30 -1.28 5.86 0.52 0.51 -4.93 118.95 120.68 3kvg s ARG 37 Ca 0.48 0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 56.24 3kvg s ARG 37 Cb -0.21 -0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.24 3kvg s ARG 37 CO 0.26 -0.18 0.57 -1.71 0.02 0.00 0.00 175.30 174.27 3kvg n ASN 38 N 4.45 -2.93 -0.04 0.23 5.15 -1.26 -1.93 115.26 118.92 3kvg n ASN 38 Ca -0.21 -1.12 -0.01 0.00 -0.60 0.00 0.00 54.58 52.64 3kvg n ASN 38 Cb 0.53 -2.64 -0.00 0.00 -0.53 0.00 0.00 39.78 37.14 3kvg n ASN 38 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3kvg n ASP 39 N -2.64 -4.04 -4.06 1.20 2.03 -1.26 -5.01 116.55 102.77 3kvg n ASP 39 Ca -0.18 0.01 -0.07 0.00 0.52 0.00 0.00 54.79 55.07 3kvg n ASP 39 Cb 0.62 -1.58 -0.10 0.00 -0.72 0.00 0.00 41.12 39.34 3kvg n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3kvg s THR 40 N -1.69 0.20 -0.12 5.18 -4.23 -0.81 -5.16 115.64 109.01 3kvg s THR 40 Ca 0.00 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 3kvg s THR 40 Cb 0.00 -1.42 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 3kvg s THR 40 CO 0.00 -0.93 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.39 3kvg s VAL 41 N -3.75 3.58 -0.12 2.29 1.01 -1.26 -0.37 120.40 121.78 3kvg s VAL 41 Ca 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3kvg s VAL 41 Cb 0.07 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3kvg s VAL 41 CO -0.09 0.54 -0.01 -1.81 0.00 0.00 0.00 175.10 173.72 3kvg s ASP 42 N -0.06 5.09 -0.23 3.32 1.11 0.14 -4.95 116.67 121.09 3kvg s ASP 42 Ca -0.00 0.03 -0.14 0.00 0.18 0.00 0.00 52.55 52.61 3kvg s ASP 42 Cb -0.13 -1.62 -0.04 0.00 1.07 0.00 0.00 42.92 42.19 3kvg s ASP 42 CO 0.03 0.28 0.34 -0.63 1.18 0.00 0.00 175.17 176.37 3kvg s ILE 43 N -0.27 5.23 -0.12 0.77 -1.09 -1.26 -0.90 121.20 123.56 3kvg s ILE 43 Ca 0.06 0.56 -0.29 0.00 -2.23 0.00 0.00 60.65 58.74 3kvg s ILE 43 Cb -0.12 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 3kvg s ILE 43 CO 0.02 0.24 1.38 -0.69 -1.23 0.00 0.00 174.94 174.67 3kvg s VAL 44 N 1.48 4.03 0.47 2.92 1.01 -0.19 -4.98 120.40 125.14 3kvg s VAL 44 Ca 0.15 1.27 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 3kvg s VAL 44 Cb -0.15 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 3kvg s VAL 44 CO 0.08 -0.10 1.05 -2.16 0.00 0.00 0.00 175.10 173.97 3kvg s PRO 45 N 3.50 3.85 0.00 2.72 0.04 -1.26 -4.53 135.00 139.32 3kvg s PRO 45 Ca 0.61 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3kvg s PRO 45 Cb -0.26 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3kvg s PRO 45 CO 0.20 -0.40 0.00 0.27 0.04 0.00 0.00 177.00 177.11 3kvg n ASN 46 N -0.81 0.00 -0.14 6.66 0.23 0.42 -4.84 115.26 116.78 3kvg n ASN 46 Ca 0.09 -0.49 0.01 0.00 -0.53 0.00 0.00 54.58 53.66 3kvg n ASN 46 Cb 0.52 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.51 3kvg n ASN 46 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kvg h ASP 47 N 0.00 0.73 1.15 0.53 3.32 -1.97 -1.59 116.42 118.59 3kvg h ASP 47 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3kvg h ASP 47 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3kvg h ASP 47 CO 0.00 0.56 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 3kvg n GLN 48 N -4.41 0.11 -0.46 3.56 1.13 -1.26 -4.92 117.38 111.13 3kvg n GLN 48 Ca 0.06 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 3kvg n GLN 48 Cb 0.07 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 28.79 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 1.32 0.77 3.75 1.08 0.00 -0.60 -5.06 105.19 106.45 3kvg n GLY 49 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.01 7.22 0.33 1.61 0.01 -1.26 -4.57 114.94 116.28 3kvg s ASN 50 Ca 0.00 1.46 0.26 0.00 -0.71 0.00 0.00 52.86 53.87 3kvg s ASN 50 Cb 0.00 -2.47 0.83 0.00 0.41 0.00 0.00 41.25 40.02 3kvg s ASN 50 CO 0.00 0.04 1.76 0.03 -1.51 0.00 0.00 177.10 177.42 3kvg h ARG 51 N 5.51 0.00 -6.01 -0.60 3.08 -1.93 0.12 114.38 114.55 3kvg h ARG 51 Ca -0.44 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.05 3kvg h ARG 51 Cb 1.21 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.01 3kvg h ARG 51 CO 0.70 0.00 -0.83 0.95 -1.07 0.00 0.00 179.97 179.72 3kvg s THR 52 N -3.27 1.61 -0.08 2.04 -4.23 -1.26 -4.51 115.64 105.94 3kvg s THR 52 Ca 0.07 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 3kvg s THR 52 Cb 0.09 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.52 3kvg s THR 52 CO 0.56 0.12 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.67 3kvg s THR 53 N -0.89 1.71 0.24 3.99 2.01 0.39 -4.93 115.64 118.16 3kvg s THR 53 Ca 0.06 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.92 3kvg s THR 53 Cb -0.09 -1.49 -0.13 0.00 0.01 0.00 0.00 72.50 70.80 3kvg s THR 53 CO 0.02 0.48 1.44 -2.65 -0.69 0.00 0.00 174.62 173.23 3kvg n PRO 54 N 3.49 2.13 -1.48 4.92 -0.02 -1.26 -0.10 135.00 142.68 3kvg n PRO 54 Ca -0.20 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 3kvg n PRO 54 Cb 0.53 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.24 7.51 -4.28 2.55 7.64 0.14 -3.81 113.62 125.63 3kvg n SER 55 Ca 0.12 -2.69 -0.27 0.00 1.01 0.00 0.00 58.87 57.04 3kvg n SER 55 Cb 0.32 -1.57 -0.14 0.00 -1.01 0.00 0.00 64.21 61.81 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 2.13 1.97 0.03 1.43 1.51 -1.26 -4.29 117.35 118.87 3kvg s TYR 56 Ca 0.63 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 3kvg s TYR 56 Cb 0.17 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.81 3kvg s TYR 56 CO -0.07 0.09 -0.08 0.14 -1.11 0.00 0.00 175.55 174.53 3kvg s VAL 57 N -0.77 0.55 -0.01 0.71 -7.23 -0.53 -0.62 120.40 112.50 3kvg s VAL 57 Ca 0.09 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 3kvg s VAL 57 Cb -0.09 -0.58 -0.00 0.00 0.56 0.00 0.00 36.38 36.27 3kvg s VAL 57 CO 0.02 -0.24 0.06 0.00 -0.31 0.00 0.00 175.10 174.62 3kvg s ALA 58 N -1.05 -0.12 -0.08 1.32 0.00 0.18 -0.18 121.76 121.83 3kvg s ALA 58 Ca -0.06 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.83 3kvg s ALA 58 Cb -0.08 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 3kvg s ALA 58 CO 0.00 -0.11 -0.24 -0.06 0.00 0.00 0.00 175.76 175.36 3kvg s PHE 59 N -0.73 2.41 0.44 0.00 0.08 -0.45 -0.33 117.98 119.41 3kvg s PHE 59 Ca -0.08 -0.85 0.02 0.00 0.12 0.00 0.00 56.93 56.14 3kvg s PHE 59 Cb -0.05 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 3kvg s PHE 59 CO 0.00 -0.31 0.07 0.25 -0.10 0.00 0.00 175.22 175.13 3kvg n THR 60 N 3.24 0.00 0.40 0.64 -2.24 -0.14 -4.77 114.28 111.41 3kvg n THR 60 Ca -0.18 -2.31 0.13 0.00 -2.27 0.00 0.00 64.05 59.42 3kvg n THR 60 Cb 0.52 0.64 0.51 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 5.08 -1.93 -0.65 114.58 116.30 3kvg h GLU 61 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3kvg h GLU 61 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3kvg h GLU 61 CO 0.59 0.00 -0.40 0.25 -1.00 0.00 0.00 179.01 178.45 3kvg n THR 62 N -2.38 0.00 -3.89 1.13 -2.24 -1.26 -3.97 114.28 101.67 3kvg n THR 62 Ca 0.02 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.57 3kvg n THR 62 Cb 0.26 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.10 1.79 -0.04 -0.78 -1.05 -1.25 -5.01 118.70 111.25 3kvg s GLU 63 Ca 0.00 -1.10 0.07 0.00 -0.15 0.00 0.00 54.97 53.78 3kvg s GLU 63 Cb 0.00 0.58 -0.01 0.00 -0.44 0.00 0.00 34.13 34.26 3kvg s GLU 63 CO 0.00 -0.81 -0.25 -0.98 0.95 0.00 0.00 175.26 174.17 3kvg s ARG 64 N -3.76 2.38 0.05 -4.83 3.03 -1.26 -0.97 118.95 113.58 3kvg s ARG 64 Ca 0.14 -0.91 0.09 0.00 2.03 0.00 0.00 55.73 57.08 3kvg s ARG 64 Cb -0.05 -2.12 -0.03 0.00 -1.03 0.00 0.00 34.95 31.72 3kvg s ARG 64 CO 0.08 0.46 -0.25 -0.51 -1.13 0.00 0.00 175.30 173.95 3kvg s LEU 65 N -0.35 2.24 0.03 -1.89 1.43 0.55 -4.96 118.68 115.74 3kvg s LEU 65 Ca 0.02 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3kvg s LEU 65 Cb -0.12 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 3kvg s LEU 65 CO 0.02 0.26 -0.18 -0.63 0.23 0.00 0.00 176.35 176.04 3kvg s ILE 66 N -0.83 1.45 0.00 -0.59 -1.09 -1.26 -0.65 121.20 118.23 3kvg s ILE 66 Ca 0.12 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 3kvg s ILE 66 Cb -0.10 -1.27 0.00 0.00 -1.58 0.00 0.00 42.46 39.51 3kvg s ILE 66 CO 0.03 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 3kvg n GLY 67 N 1.98 2.23 0.29 6.18 0.00 0.21 -3.60 105.19 112.48 3kvg n GLY 67 Ca -0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.13 0.69 -0.74 1.61 3.32 -1.90 -0.00 116.42 120.53 3kvg h ASP 68 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3kvg h ASP 68 Cb 0.00 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 3kvg h ASP 68 CO 0.00 0.44 0.43 0.00 -1.72 0.00 0.00 179.24 178.39 3kvg h ALA 69 N 1.37 1.34 -0.01 3.45 0.00 -1.96 0.11 119.26 123.56 3kvg h ALA 69 Ca 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kvg h ALA 69 Cb 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kvg h ALA 69 CO -0.18 0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.59 3kvg h ALA 70 N 1.43 0.02 -0.29 0.00 0.00 -1.53 -3.27 119.26 115.62 3kvg h ALA 70 Ca 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3kvg h ALA 70 Cb -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kvg h ALA 70 CO -0.05 -0.15 0.03 -0.22 0.00 0.00 0.00 179.25 178.86 3kvg h LYS 71 N -0.53 0.42 0.00 0.00 3.64 -0.80 -2.91 116.57 116.39 3kvg h LYS 71 Ca -0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3kvg h LYS 71 Cb 0.64 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3kvg h LYS 71 CO 0.01 0.43 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.62 3kvg h ASN 72 N 0.41 0.00 -0.15 4.20 -1.24 -0.83 -2.95 115.58 115.02 3kvg h ASN 72 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.11 3kvg h ASN 72 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 3kvg h ASN 72 CO 0.00 0.03 0.00 0.00 -1.29 0.00 0.00 177.43 176.18 3kvg n GLN 73 N -3.89 2.64 -0.29 6.67 -0.00 -1.10 -4.78 117.38 116.63 3kvg n GLN 73 Ca -0.03 -2.10 0.04 0.00 -0.00 0.00 0.00 57.00 54.92 3kvg n GLN 73 Cb 0.12 -1.32 0.19 0.00 -0.00 0.00 0.00 30.24 29.23 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 0.95 0.83 -0.54 -0.39 3.04 -1.51 -2.42 116.25 116.21 3kvg h VAL 74 Ca 0.00 -0.25 -0.07 0.00 -1.01 0.00 0.00 66.70 65.38 3kvg h VAL 74 Cb 0.83 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 3kvg h VAL 74 CO 0.04 0.13 0.07 0.00 -1.01 0.00 0.00 177.57 176.80 3kvg h ALA 75 N 1.49 1.11 0.00 3.17 0.00 -1.86 -2.35 119.26 120.82 3kvg h ALA 75 Ca 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kvg h ALA 75 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kvg h ALA 75 CO -0.29 0.58 -0.28 2.89 0.00 0.00 0.00 179.25 182.15 3kvg n ARG 76 N -4.24 0.00 -3.07 0.00 1.85 -1.01 -4.40 116.66 105.79 3kvg n ARG 76 Ca 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.72 3kvg n ARG 76 Cb 0.27 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.17 3kvg n ARG 76 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3kvg n ASN 77 N -1.50 -0.18 -0.06 2.89 5.15 -0.95 -5.02 115.26 115.58 3kvg n ASN 77 Ca 0.06 -3.10 -0.06 0.00 -0.60 0.00 0.00 54.58 50.88 3kvg n ASN 77 Cb 0.34 0.05 0.14 0.00 -0.53 0.00 0.00 39.78 39.78 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 3.27 0.69 0.00 1.20 0.13 -1.63 -3.02 132.00 132.64 3kvg h PRO 78 Ca 0.04 -0.25 -0.06 0.00 -0.87 0.00 0.00 66.00 64.86 3kvg h PRO 78 Cb 0.98 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 3kvg h PRO 78 CO 0.41 0.82 -0.28 0.93 -0.23 0.00 0.00 178.00 179.65 3kvg h GLU 79 N 0.62 0.00 -0.28 0.86 5.08 -1.89 -3.22 114.58 115.75 3kvg h GLU 79 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kvg h GLU 79 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3kvg h GLU 79 CO 0.04 0.28 0.00 0.09 -1.00 0.00 0.00 179.01 178.43 3kvg n ASN 80 N -3.89 2.97 -4.37 1.42 3.02 -1.21 -4.26 115.26 108.95 3kvg n ASN 80 Ca -0.02 -2.21 -0.39 0.00 -0.03 0.00 0.00 54.58 51.93 3kvg n ASN 80 Cb 0.36 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.37 4.35 -0.12 3.41 2.01 -1.14 -1.34 115.64 121.44 3kvg s THR 81 Ca 0.24 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.39 3kvg s THR 81 Cb 0.15 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3kvg s THR 81 CO 0.12 -0.12 0.08 -0.69 -0.69 0.00 0.00 174.62 173.33 3kvg s VAL 82 N 1.53 5.02 0.29 3.82 1.01 0.75 -4.68 120.40 128.15 3kvg s VAL 82 Ca 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 3kvg s VAL 82 Cb -0.18 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3kvg s VAL 82 CO 0.05 0.58 0.49 0.72 0.00 0.00 0.00 175.10 176.95 3kvg s PHE 83 N -0.69 0.63 -1.67 5.22 -0.12 -1.26 -1.45 117.98 118.63 3kvg s PHE 83 Ca 0.12 -0.97 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 3kvg s PHE 83 Cb -0.12 0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.39 3kvg s PHE 83 CO 0.03 -1.09 0.00 -0.25 -0.05 0.00 0.00 175.22 173.86 3kvg n ASP 84 N -0.86 -5.32 0.29 1.98 8.00 -1.26 -4.87 116.55 114.51 3kvg n ASP 84 Ca -0.01 0.12 0.15 0.00 0.71 0.00 0.00 54.79 55.76 3kvg n ASP 84 Cb 0.62 -4.50 0.90 0.00 -0.02 0.00 0.00 41.12 38.12 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 0.85 1.43 0.00 2.24 0.00 -1.87 -1.47 119.26 120.45 3kvg h ALA 85 Ca -0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 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 0.53 0.03 -0.19 -0.22 0.00 0.00 0.00 179.25 179.40 3kvg h LYS 86 N 0.00 0.00 0.00 0.00 3.64 -1.89 0.80 116.57 119.12 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 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3kvg h LYS 86 CO 0.00 0.19 0.00 0.54 -2.27 0.00 0.00 179.45 177.91 3kvg n ARG 87 N -4.10 0.20 -0.06 1.90 1.74 -0.55 -3.80 116.66 111.99 3kvg n ARG 87 Ca -0.02 0.26 -0.06 0.00 -0.77 0.00 0.00 57.85 57.26 3kvg n ARG 87 Cb 0.27 -1.78 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 3kvg n ARG 87 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kvg n LEU 88 N -2.13 0.69 -4.66 0.55 4.77 -0.66 -4.84 117.00 110.71 3kvg n LEU 88 Ca 0.04 -0.02 -0.53 0.00 -0.03 0.00 0.00 56.01 55.48 3kvg n LEU 88 Cb 0.34 0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 3kvg n LEU 88 CO 0.26 0.37 1.19 0.00 -1.33 0.00 0.00 177.39 177.88 3kvg n ILE 89 N -2.52 0.21 -0.90 -0.08 3.06 0.19 -2.05 119.36 117.27 3kvg n ILE 89 Ca -0.19 -0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.02 3kvg n ILE 89 Cb 0.83 -1.22 0.00 0.00 0.54 0.00 0.00 39.64 39.79 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 3.57 0.28 3.99 4.50 0.00 -1.26 -4.61 105.19 111.67 3kvg n GLY 90 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.95 3.08 0.09 1.61 0.52 -0.87 -4.00 118.95 118.42 3kvg s ARG 91 Ca 0.00 -0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 54.17 3kvg s ARG 91 Cb 0.00 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 3kvg s ARG 91 CO 0.00 -0.01 0.35 0.15 0.02 0.00 0.00 175.30 175.81 3kvg s LYS 92 N -4.23 3.64 0.25 3.54 1.02 -1.26 -4.42 119.74 118.28 3kvg s LYS 92 Ca 0.46 -0.03 -0.03 0.00 0.02 0.00 0.00 55.97 56.39 3kvg s LYS 92 Cb -0.10 -2.96 0.44 0.00 -0.52 0.00 0.00 37.83 34.70 3kvg s LYS 92 CO 0.32 0.55 1.78 0.35 -0.92 0.00 0.00 175.35 177.43 3kvg h PHE 93 N 3.39 0.77 -0.01 3.18 3.57 -0.52 -2.68 116.94 124.64 3kvg h PHE 93 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3kvg h PHE 93 Cb 1.18 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.70 3kvg h PHE 93 CO 0.64 0.25 0.00 -0.25 -2.23 0.00 0.00 178.31 176.73 3kvg n ASP 94 N -4.82 0.18 -4.75 0.41 8.00 -1.26 -4.35 116.55 109.96 3kvg n ASP 94 Ca 0.14 -1.35 -0.41 0.00 0.71 0.00 0.00 54.79 53.88 3kvg n ASP 94 Cb 0.34 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 3kvg n ASP 94 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3kvg s ASP 95 N -1.68 6.46 0.27 -2.24 1.01 -1.01 -4.87 116.67 114.61 3kvg s ASP 95 Ca 0.33 2.87 -0.02 0.00 0.71 0.00 0.00 52.55 56.44 3kvg s ASP 95 Cb 0.15 -2.64 0.45 0.00 1.01 0.00 0.00 42.92 41.90 3kvg s ASP 95 CO 0.26 -0.83 1.86 0.06 0.21 0.00 0.00 175.17 176.72 3kvg h GLN 96 N 4.63 1.03 -0.58 8.23 -0.00 -1.91 -1.25 115.11 125.24 3kvg h GLN 96 Ca -0.47 -0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.15 3kvg h GLN 96 Cb 1.22 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.48 28.43 3kvg h GLN 96 CO 0.77 0.68 0.35 0.00 -0.00 0.00 0.00 178.83 180.62 3kvg h ALA 97 N 1.48 0.76 0.12 0.06 0.00 -1.97 0.11 119.26 119.82 3kvg h ALA 97 Ca 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3kvg h ALA 97 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kvg h ALA 97 CO -0.21 0.06 -0.06 0.28 0.00 0.00 0.00 179.25 179.32 3kvg h VAL 98 N 0.68 0.99 -0.96 0.00 2.07 -1.71 -1.25 116.25 116.07 3kvg h VAL 98 Ca 0.24 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3kvg h VAL 98 Cb 0.05 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3kvg h VAL 98 CO -0.12 0.11 0.62 1.56 0.02 0.00 0.00 177.57 179.76 3kvg h GLN 99 N -0.36 1.03 -0.13 1.57 1.08 -0.97 -1.06 115.11 116.27 3kvg h GLN 99 Ca -0.02 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 3kvg h GLN 99 Cb 0.29 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3kvg h GLN 99 CO 0.03 0.68 -0.04 1.03 -0.95 0.00 0.00 178.83 179.57 3kvg h SER 100 N 1.06 0.26 -0.93 1.46 0.87 -0.68 -3.24 113.55 112.36 3kvg h SER 100 Ca 0.43 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3kvg h SER 100 Cb 0.27 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 3kvg h SER 100 CO -0.18 0.59 0.61 0.44 -0.53 0.00 0.00 176.83 177.76 3kvg h ASP 101 N -0.07 1.06 -0.73 6.23 3.32 -0.74 -2.93 116.42 122.56 3kvg h ASP 101 Ca 0.03 -0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.21 3kvg h ASP 101 Cb 0.48 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 3kvg h ASP 101 CO 0.02 0.76 0.49 0.24 -1.72 0.00 0.00 179.24 179.03 3kvg h MET 102 N 1.25 0.32 0.00 3.56 2.86 -1.23 -1.58 114.93 120.10 3kvg h MET 102 Ca 0.34 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3kvg h MET 102 Cb -0.13 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.46 3kvg h MET 102 CO -0.08 0.21 0.00 1.79 1.06 0.00 0.00 176.91 179.89 3kvg h THR 103 N 0.33 0.00 -0.30 2.22 1.35 -1.59 -2.75 112.91 112.16 3kvg h THR 103 Ca 0.36 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3kvg h THR 103 Cb 0.93 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 -3.05 0.39 -4.08 4.73 8.25 -0.60 -4.98 115.22 115.89 3kvg n HIS 104 Ca -0.01 -0.29 -0.35 0.00 -0.26 0.00 0.00 57.72 56.82 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 -1.15 3.24 -0.66 4.41 0.51 -1.04 -5.00 118.94 119.25 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 -2.03 0.82 0.00 -0.81 0.00 0.00 33.47 31.61 3kvg s TRP 105 CO 0.22 0.21 1.76 -1.00 -0.51 0.00 0.00 176.95 177.62 3kvg h PRO 106 N 6.42 0.00 -6.56 4.98 0.14 -1.87 -3.45 132.00 131.66 3kvg h PRO 106 Ca -0.39 0.00 -0.52 0.00 0.14 0.00 0.00 66.00 65.23 3kvg h PRO 106 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.29 3kvg h PRO 106 CO 0.67 0.00 0.02 -0.59 0.14 0.00 0.00 178.00 178.24 3kvg s PHE 107 N -3.15 3.48 0.03 1.56 -0.12 -1.26 -4.32 117.98 114.20 3kvg s PHE 107 Ca 0.09 1.15 -0.28 0.00 -0.05 0.00 0.00 56.93 57.84 3kvg s PHE 107 Cb 0.11 -2.46 -0.04 0.00 -0.63 0.00 0.00 43.02 40.00 3kvg s PHE 107 CO 0.57 0.24 0.91 0.21 -0.05 0.00 0.00 175.22 177.10 3kvg s LYS 108 N -2.57 4.57 -0.15 1.99 2.20 -1.24 -4.98 119.74 119.57 3kvg s LYS 108 Ca 0.48 1.31 0.02 0.00 -0.36 0.00 0.00 55.97 57.41 3kvg s LYS 108 Cb -0.13 -3.42 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 3kvg s LYS 108 CO 0.19 0.08 -0.19 0.08 -0.36 0.00 0.00 175.35 175.15 3kvg s VAL 109 N 0.57 1.90 0.34 4.02 1.01 -1.26 -0.04 120.40 126.94 3kvg s VAL 109 Ca 0.47 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3kvg s VAL 109 Cb -0.21 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 3kvg s VAL 109 CO 0.27 0.52 -0.07 0.68 0.00 0.00 0.00 175.10 176.49 3kvg s VAL 110 N 1.07 2.06 -0.13 2.92 -7.23 0.31 -4.93 120.40 114.47 3kvg s VAL 110 Ca -0.02 -2.16 -0.27 0.00 -1.81 0.00 0.00 61.98 57.72 3kvg s VAL 110 Cb -0.14 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 3kvg s VAL 110 CO -0.06 -0.19 0.88 -0.60 -0.31 0.00 0.00 175.10 174.82 3kvg s ARG 111 N -3.65 4.37 0.53 4.82 3.52 -1.26 -1.05 118.95 126.23 3kvg s ARG 111 Ca 0.32 1.15 0.08 0.00 -0.13 0.00 0.00 55.73 57.15 3kvg s ARG 111 Cb 0.04 -3.54 0.05 0.00 -1.56 0.00 0.00 34.95 29.94 3kvg s ARG 111 CO 0.16 -0.26 0.64 0.20 -0.81 0.00 0.00 175.30 175.22 3kvg s GLY 112 N 1.08 1.94 0.61 8.12 0.00 0.31 -4.91 107.32 114.47 3kvg s GLY 112 Ca 0.42 -1.86 -0.18 0.00 0.00 0.00 0.00 44.72 43.10 3kvg s GLY 112 CO 0.16 -1.71 1.22 -4.14 0.00 0.00 0.00 173.10 168.63 3kvg s PRO 113 N -4.49 2.84 -1.30 2.90 0.02 -1.26 -3.04 135.00 130.68 3kvg s PRO 113 Ca 0.54 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 63.41 3kvg s PRO 113 Cb -0.05 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3kvg s PRO 113 CO 0.33 -1.32 0.17 1.63 -0.33 0.00 0.00 177.00 177.48 3kvg n LYS 114 N -1.73 -2.16 -2.46 5.54 5.02 -1.26 -3.13 118.16 117.98 3kvg n LYS 114 Ca 0.14 0.75 -0.17 0.00 -2.02 0.00 0.00 58.31 57.00 3kvg n LYS 114 Cb 0.49 -5.14 -0.01 0.00 -0.02 0.00 0.00 35.03 30.36 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 -1.21 -5.02 -4.69 4.39 2.03 -1.17 -4.97 116.55 105.90 3kvg n ASP 115 Ca -0.15 0.06 -0.40 0.00 0.52 0.00 0.00 54.79 54.81 3kvg n ASP 115 Cb 0.63 -4.20 -0.05 0.00 -0.72 0.00 0.00 41.12 36.77 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 -5.08 4.35 0.37 -0.67 2.47 -1.18 0.23 119.74 120.23 3kvg s LYS 116 Ca 0.02 0.83 -0.28 0.00 -1.56 0.00 0.00 55.97 54.98 3kvg s LYS 116 Cb -0.01 -3.50 -0.10 0.00 -1.46 0.00 0.00 37.83 32.76 3kvg s LYS 116 CO 0.02 -0.08 1.35 -2.14 0.16 0.00 0.00 175.35 174.66 3kvg s PRO 117 N 1.33 4.16 -0.12 4.03 0.02 -1.26 -0.53 135.00 142.62 3kvg s PRO 117 Ca 0.35 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.65 3kvg s PRO 117 Cb -0.17 -2.93 0.02 0.00 0.02 0.00 0.00 34.50 31.44 3kvg s PRO 117 CO 0.15 -0.38 -0.13 0.42 -0.33 0.00 0.00 177.00 176.73 3kvg s ILE 118 N -1.18 1.41 -0.14 2.83 1.01 -0.21 -4.51 121.20 120.41 3kvg s ILE 118 Ca 0.53 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 60.38 3kvg s ILE 118 Cb -0.41 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 3kvg s ILE 118 CO 0.54 0.43 0.79 -0.63 0.00 0.00 0.00 174.94 176.06 3kvg s ILE 119 N 1.33 4.93 -0.24 2.92 1.01 0.51 -0.53 121.20 131.12 3kvg s ILE 119 Ca 0.00 1.56 -0.03 0.00 0.00 0.00 0.00 60.65 62.17 3kvg s ILE 119 Cb -0.14 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.24 3kvg s ILE 119 CO -0.06 0.09 -0.03 -0.55 0.00 0.00 0.00 174.94 174.38 3kvg s SER 120 N 1.09 4.39 0.36 3.58 0.15 0.94 -1.31 113.70 122.90 3kvg s SER 120 Ca 0.37 -0.60 0.04 0.00 0.70 0.00 0.00 55.95 56.46 3kvg s SER 120 Cb -0.17 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 3kvg s SER 120 CO 0.14 -0.08 0.14 0.68 1.20 0.00 0.00 173.24 175.32 3kvg s VAL 121 N 1.43 0.55 -0.14 4.45 -7.23 -0.69 -3.70 120.40 115.07 3kvg s VAL 121 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 3kvg s VAL 121 Cb -0.15 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 3kvg s VAL 121 CO -0.03 0.00 -0.07 0.20 -0.31 0.00 0.00 175.10 174.89 3kvg s ASN 122 N -3.51 4.56 -0.12 4.85 -0.87 -1.26 -0.39 114.94 118.19 3kvg s ASN 122 Ca 0.30 -0.17 -0.05 0.00 -1.57 0.00 0.00 52.86 51.36 3kvg s ASN 122 Cb 0.04 -1.66 0.06 0.00 -0.02 0.00 0.00 41.25 39.66 3kvg s ASN 122 CO 0.16 0.19 0.25 -0.47 -2.57 0.00 0.00 177.10 174.67 3kvg s TYR 123 N 0.22 -0.38 -1.46 2.20 5.04 -0.16 -4.37 117.35 118.43 3kvg s TYR 123 Ca -0.04 0.89 -0.07 0.00 -2.44 0.00 0.00 57.07 55.40 3kvg s TYR 123 Cb -0.14 -0.00 0.03 0.00 0.35 0.00 0.00 41.96 42.20 3kvg s TYR 123 CO 0.04 -0.30 0.68 1.28 -1.34 0.00 0.00 175.55 175.90 3kvg n LEU 124 N 4.86 -2.44 -0.64 6.97 4.77 -0.25 -2.29 117.00 127.99 3kvg n LEU 124 Ca -0.14 -0.39 -0.07 0.00 -0.03 0.00 0.00 56.01 55.38 3kvg n LEU 124 Cb 0.51 -2.71 -0.02 0.00 -2.33 0.00 0.00 43.42 38.87 3kvg n LEU 124 CO 0.08 0.28 -0.08 0.61 -1.33 0.00 0.00 177.39 176.95 3kvg n GLY 125 N -1.50 0.54 3.11 -0.72 0.00 -1.26 -4.97 105.19 100.39 3kvg n GLY 125 Ca -0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.37 0.57 0.16 1.61 0.41 -0.97 -5.14 118.70 111.97 3kvg s GLU 126 Ca 0.00 -0.66 -0.30 0.00 -0.41 0.00 0.00 54.97 53.59 3kvg s GLU 126 Cb 0.00 0.22 -0.08 0.00 -1.78 0.00 0.00 34.13 32.50 3kvg s GLU 126 CO 0.00 -0.14 1.21 0.15 -0.49 0.00 0.00 175.26 175.99 3kvg s LYS 127 N -2.31 4.47 -0.02 1.61 1.02 -1.26 -0.99 119.74 122.26 3kvg s LYS 127 Ca -0.07 1.87 0.02 0.00 0.02 0.00 0.00 55.97 57.81 3kvg s LYS 127 Cb -0.03 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 3kvg s LYS 127 CO -0.03 -0.14 -0.07 0.21 -0.92 0.00 0.00 175.35 174.40 3kvg s LYS 128 N 0.07 0.75 -0.07 1.68 2.47 0.47 -4.90 119.74 120.22 3kvg s LYS 128 Ca 0.55 -0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.72 3kvg s LYS 128 Cb -0.32 -0.73 -0.03 0.00 -1.46 0.00 0.00 37.83 35.29 3kvg s LYS 128 CO 0.35 0.09 -0.05 -1.21 0.16 0.00 0.00 175.35 174.69 3kvg s GLU 129 N 0.19 2.82 0.01 4.03 2.02 -1.26 -1.70 118.70 124.81 3kvg s GLU 129 Ca -0.02 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.47 3kvg s GLU 129 Cb -0.07 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 3kvg s GLU 129 CO 0.00 0.68 -0.03 -0.06 0.02 0.00 0.00 175.26 175.86 3kvg s PHE 130 N -0.84 0.29 0.62 1.61 0.08 -0.43 -4.97 117.98 114.34 3kvg s PHE 130 Ca 0.13 -0.21 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 3kvg s PHE 130 Cb -0.11 -0.19 -0.01 0.00 -0.57 0.00 0.00 43.02 42.15 3kvg s PHE 130 CO 0.02 -0.05 0.98 -1.01 -0.10 0.00 0.00 175.22 175.05 3kvg s HIS 131 N -0.54 3.41 0.38 0.36 3.76 -1.26 -0.37 115.29 121.04 3kvg s HIS 131 Ca -0.04 0.95 0.05 0.00 -0.15 0.00 0.00 55.06 55.87 3kvg s HIS 131 Cb -0.04 -2.78 0.77 0.00 1.11 0.00 0.00 32.58 31.64 3kvg s HIS 131 CO -0.00 -0.84 2.03 0.00 -0.85 0.00 0.00 174.74 175.08 3kvg h ALA 132 N -0.31 1.66 0.00 -1.40 0.00 -1.91 -1.53 119.26 115.76 3kvg h ALA 132 Ca -0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3kvg h ALA 132 Cb 1.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kvg h ALA 132 CO 0.62 0.30 -0.11 1.05 0.00 0.00 0.00 179.25 181.11 3kvg h GLU 133 N 0.68 0.00 0.02 0.00 9.09 -1.90 -1.27 114.58 121.20 3kvg h GLU 133 Ca 0.20 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.40 3kvg h GLU 133 Cb -0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.06 3kvg h GLU 133 CO -0.05 0.11 -0.95 0.93 0.05 0.00 0.00 179.01 179.10 3kvg h GLU 134 N 0.00 0.17 0.02 1.06 5.08 -1.65 -0.42 114.58 118.83 3kvg h GLU 134 Ca -0.00 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3kvg h GLU 134 Cb 0.60 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3kvg h GLU 134 CO 0.01 1.00 -0.01 0.82 -1.00 0.00 0.00 179.01 179.83 3kvg h ILE 135 N 0.08 1.38 -0.20 3.13 1.08 -1.26 -2.84 117.51 118.87 3kvg h ILE 135 Ca -0.05 -1.22 -0.00 0.00 -0.39 0.00 0.00 64.86 63.19 3kvg h ILE 135 Cb 1.62 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 0.12 0.28 -0.69 0.00 0.00 178.15 178.31 3kvg h SER 136 N -0.55 0.24 -0.63 1.72 0.02 -1.28 -1.53 113.55 111.53 3kvg h SER 136 Ca -0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3kvg h SER 136 Cb 0.53 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3kvg h SER 136 CO 0.00 0.19 0.36 0.00 -1.14 0.00 0.00 176.83 176.24 3kvg h ALA 137 N 1.86 1.41 -0.57 3.77 0.00 -0.99 0.53 119.26 125.27 3kvg h ALA 137 Ca 0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3kvg h ALA 137 Cb -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kvg h ALA 137 CO -0.01 0.49 -0.03 0.52 0.00 0.00 0.00 179.25 180.22 3kvg h MET 138 N 0.91 1.01 -0.19 0.00 2.07 -1.04 0.22 114.93 117.91 3kvg h MET 138 Ca 0.23 -0.33 -0.04 0.00 -2.07 0.00 0.00 59.70 57.49 3kvg h MET 138 Cb 0.02 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.65 3kvg h MET 138 CO -0.04 1.01 -0.04 0.28 1.07 0.00 0.00 176.91 179.19 3kvg h VAL 139 N 0.92 1.29 -0.58 -2.22 2.07 -1.22 -2.31 116.25 114.20 3kvg h VAL 139 Ca 0.16 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3kvg h VAL 139 Cb 0.58 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3kvg h VAL 139 CO 0.03 0.31 0.19 -0.07 0.02 0.00 0.00 177.57 178.05 3kvg h LEU 140 N 0.08 0.79 -0.72 2.57 3.38 -0.76 -1.65 115.31 119.00 3kvg h LEU 140 Ca 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3kvg h LEU 140 Cb 0.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3kvg h LEU 140 CO 0.02 0.74 0.32 -0.61 0.09 0.00 0.00 178.44 178.99 3kvg h GLN 141 N 0.84 1.05 -0.67 1.13 5.75 -0.49 -0.44 115.11 122.28 3kvg h GLN 141 Ca 0.19 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3kvg h GLN 141 Cb 0.23 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3kvg h GLN 141 CO -0.01 0.85 0.24 -0.22 -2.65 0.00 0.00 178.83 177.04 3kvg h LYS 142 N 1.02 1.00 -0.60 1.69 1.63 -0.87 0.19 116.57 120.63 3kvg h LYS 142 Ca 0.24 -0.18 -0.09 0.00 -0.85 0.00 0.00 60.65 59.77 3kvg h LYS 142 Cb 0.16 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3kvg h LYS 142 CO -0.03 0.83 0.01 0.52 -3.45 0.00 0.00 179.45 177.34 3kvg h MET 143 N 0.98 1.03 -0.19 1.90 2.86 -0.82 -0.38 114.93 120.31 3kvg h MET 143 Ca 0.22 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3kvg h MET 143 Cb 0.23 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3kvg h MET 143 CO -0.02 1.00 0.03 -0.22 1.06 0.00 0.00 176.91 178.77 3kvg h LYS 144 N 0.95 0.32 -0.54 1.72 3.64 -0.70 -2.52 116.57 119.44 3kvg h LYS 144 Ca 0.17 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3kvg h LYS 144 Cb 0.53 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3kvg h LYS 144 CO 0.03 0.47 0.30 0.93 -2.27 0.00 0.00 179.45 178.91 3kvg h GLU 145 N 0.12 0.75 -0.28 1.90 5.08 -0.73 -0.42 114.58 120.99 3kvg h GLU 145 Ca 0.06 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3kvg h GLU 145 Cb 0.30 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3kvg h GLU 145 CO 0.00 0.57 -0.15 -0.84 -1.00 0.00 0.00 179.01 177.59 3kvg h ILE 146 N 0.72 1.24 -0.37 3.13 3.07 -1.08 -2.28 117.51 121.94 3kvg h ILE 146 Ca 0.19 -1.07 -0.16 0.00 1.55 0.00 0.00 64.86 65.37 3kvg h ILE 146 Cb 0.03 1.19 -0.01 0.00 -0.27 0.00 0.00 36.82 37.76 3kvg h ILE 146 CO -0.03 0.35 -0.39 0.28 -1.05 0.00 0.00 178.15 177.30 3kvg h SER 147 N 0.45 0.96 -0.52 2.16 0.02 -1.12 -1.63 113.55 113.86 3kvg h SER 147 Ca 0.08 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 3kvg h SER 147 Cb 0.53 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3kvg h SER 147 CO 0.03 1.23 0.02 -0.33 -1.14 0.00 0.00 176.83 176.64 3kvg h GLU 148 N 0.73 0.90 -0.11 3.45 5.08 -0.95 0.51 114.58 124.20 3kvg h GLU 148 Ca 0.06 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3kvg h GLU 148 Cb 0.98 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3kvg h GLU 148 CO 0.09 0.92 0.04 0.00 -1.00 0.00 0.00 179.01 179.06 3kvg h ALA 149 N 0.95 0.14 -0.43 3.43 0.00 -1.37 0.13 119.26 122.12 3kvg h ALA 149 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kvg h ALA 149 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kvg h ALA 149 CO 0.02 -0.27 0.22 -0.92 0.00 0.00 0.00 179.25 178.31 3kvg h TYR 150 N 0.02 0.61 0.00 0.00 3.20 -1.17 -3.13 116.97 116.51 3kvg h TYR 150 Ca 0.04 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3kvg h TYR 150 Cb 0.17 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3kvg h TYR 150 CO -0.01 0.48 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.45 3kvg h LEU 151 N 0.56 0.00 1.77 2.82 3.38 -0.87 -3.48 115.31 119.49 3kvg h LEU 151 Ca 0.15 -0.11 -0.27 0.00 0.09 0.00 0.00 57.88 57.74 3kvg h LEU 151 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kvg h LEU 151 CO -0.02 0.05 -0.36 0.61 0.09 0.00 0.00 178.44 178.82 3kvg n GLY 152 N 1.28 -0.18 3.48 0.83 0.00 0.44 -5.00 105.19 106.04 3kvg n GLY 152 Ca 0.03 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.76 1.34 0.38 1.61 1.70 -1.10 -5.06 118.95 113.06 3kvg s ARG 153 Ca 0.02 -0.61 -0.25 0.00 -0.47 0.00 0.00 55.73 54.42 3kvg s ARG 153 Cb -0.01 0.57 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 3kvg s ARG 153 CO 0.03 -0.58 1.09 -0.65 -1.08 0.00 0.00 175.30 174.11 3kvg s GLN 154 N -3.79 4.21 -0.04 3.89 -0.21 -1.26 -4.39 119.66 118.06 3kvg s GLN 154 Ca 0.04 1.65 0.04 0.00 0.02 0.00 0.00 55.36 57.10 3kvg s GLN 154 Cb -0.01 -2.69 -0.00 0.00 1.00 0.00 0.00 33.01 31.31 3kvg s GLN 154 CO -0.09 -0.13 -0.16 0.42 -2.12 0.00 0.00 175.29 173.21 3kvg s ILE 155 N -1.51 1.33 0.00 1.08 -1.09 -1.26 -4.69 121.20 115.06 3kvg s ILE 155 Ca 0.55 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 3kvg s ILE 155 Cb -0.26 -1.15 0.00 0.00 -1.58 0.00 0.00 42.46 39.47 3kvg s ILE 155 CO 0.33 0.39 0.00 1.17 -1.23 0.00 0.00 174.94 175.60 3kvg n LYS 156 N 3.16 0.00 -2.23 2.79 4.81 -1.26 -4.93 118.16 120.50 3kvg n LYS 156 Ca -0.18 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.84 3kvg n LYS 156 Cb 0.53 -0.39 -0.03 0.00 0.02 0.00 0.00 35.03 35.16 3kvg n LYS 156 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3kvg s ASN 157 N -4.45 6.87 0.07 3.14 0.01 -1.26 -0.00 114.94 119.32 3kvg s ASN 157 Ca 0.00 2.19 -0.11 0.00 -0.71 0.00 0.00 52.86 54.23 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 -0.65 0.25 0.00 -1.51 0.00 0.00 177.10 175.18 3kvg s ALA 158 N 1.64 -0.47 -0.15 0.60 0.00 -0.35 -1.33 121.76 121.70 3kvg s ALA 158 Ca 0.63 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.31 3kvg s ALA 158 Cb -0.33 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3kvg s ALA 158 CO 0.29 -0.45 -0.17 0.08 0.00 0.00 0.00 175.76 175.50 3kvg s VAL 159 N -3.13 2.53 -0.10 0.00 1.01 -0.75 -0.60 120.40 119.37 3kvg s VAL 159 Ca -0.01 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3kvg s VAL 159 Cb 0.01 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3kvg s VAL 159 CO -0.07 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 3kvg s VAL 160 N 0.81 2.73 0.27 2.92 1.01 -1.08 -0.72 120.40 126.34 3kvg s VAL 160 Ca -0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3kvg s VAL 160 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3kvg s VAL 160 CO -0.00 0.55 0.48 0.42 0.00 0.00 0.00 175.10 176.55 3kvg s THR 161 N 0.03 5.13 0.04 3.92 -4.23 -0.88 -2.38 115.64 117.28 3kvg s THR 161 Ca -0.06 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 3kvg s THR 161 Cb -0.15 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.89 3kvg s THR 161 CO 0.05 -0.35 0.06 0.68 -0.54 0.00 0.00 174.62 174.52 3kvg s VAL 162 N -2.08 0.15 0.59 2.29 -7.23 -0.40 -4.36 120.40 109.36 3kvg s VAL 162 Ca 0.40 -1.27 -0.20 0.00 -1.81 0.00 0.00 61.98 59.10 3kvg s VAL 162 Cb -0.10 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 3kvg s VAL 162 CO 0.32 -0.70 1.31 -2.84 -0.31 0.00 0.00 175.10 172.88 3kvg s PRO 163 N -2.96 2.92 0.55 4.82 0.02 -1.26 -0.35 135.00 138.74 3kvg s PRO 163 Ca -0.02 2.11 0.22 0.00 0.02 0.00 0.00 61.00 63.33 3kvg s PRO 163 Cb 0.01 -2.07 1.45 0.00 0.02 0.00 0.00 34.50 33.91 3kvg s PRO 163 CO -0.06 -1.32 2.12 0.00 -0.33 0.00 0.00 177.00 177.41 3kvg h ALA 164 N 1.08 2.01 0.00 -1.55 0.00 -1.94 -1.92 119.26 116.93 3kvg h ALA 164 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kvg h ALA 164 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kvg h ALA 164 CO 0.56 -0.20 0.00 2.48 0.00 0.00 0.00 179.25 182.09 3kvg n TYR 165 N -4.27 0.00 -1.80 0.00 0.18 -1.26 -4.89 117.16 105.13 3kvg n TYR 165 Ca 0.01 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 3kvg n TYR 165 Cb 0.24 -0.36 -0.02 0.00 -0.38 0.00 0.00 39.34 38.83 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 -2.72 2.78 0.75 -3.48 0.40 -0.72 -5.02 117.98 109.96 3kvg s PHE 166 Ca 0.23 0.79 -0.10 0.00 -0.60 0.00 0.00 56.93 57.25 3kvg s PHE 166 Cb 0.19 -4.05 0.17 0.00 0.51 0.00 0.00 43.02 39.84 3kvg s PHE 166 CO 0.47 -3.53 1.03 0.27 0.70 0.00 0.00 175.22 174.16 3kvg n ASN 167 N 2.23 0.40 -0.18 1.36 0.23 -1.26 -4.84 115.26 113.20 3kvg n ASN 167 Ca 0.08 -1.57 -0.04 0.00 -0.53 0.00 0.00 54.58 52.52 3kvg n ASN 167 Cb 0.38 -0.76 0.06 0.00 -2.08 0.00 0.00 39.78 37.38 3kvg n ASN 167 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 3kvg h ASP 168 N -1.17 0.41 -0.47 0.53 3.58 -1.98 -1.68 116.42 115.64 3kvg h ASP 168 Ca -0.33 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 3kvg h ASP 168 Cb 1.00 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 3kvg h ASP 168 CO 0.27 0.28 0.21 -1.28 -2.88 0.00 0.00 179.24 175.83 3kvg h SER 169 N 0.55 0.64 -0.24 2.28 0.87 -1.94 -0.31 113.55 115.39 3kvg h SER 169 Ca 0.24 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 3kvg h SER 169 Cb 0.14 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3kvg h SER 169 CO -0.16 0.61 -0.28 1.56 -0.53 0.00 0.00 176.83 178.02 3kvg h GLN 170 N 0.62 0.74 -0.12 2.24 4.20 -1.66 -0.96 115.11 120.17 3kvg h GLN 170 Ca 0.16 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 3kvg h GLN 170 Cb 0.16 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3kvg h GLN 170 CO -0.02 0.93 0.00 0.00 -0.67 0.00 0.00 178.83 179.08 3kvg h ARG 171 N 0.63 0.21 -0.70 1.46 3.08 -1.13 -2.16 114.38 115.76 3kvg h ARG 171 Ca 0.08 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3kvg h ARG 171 Cb 0.80 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3kvg h ARG 171 CO 0.07 0.45 0.20 0.37 -1.07 0.00 0.00 179.97 179.99 3kvg h GLN 172 N -0.06 1.10 -0.16 0.04 5.75 -1.01 -1.74 115.11 119.02 3kvg h GLN 172 Ca 0.03 -0.25 -0.10 0.00 -0.15 0.00 0.00 58.65 58.19 3kvg h GLN 172 Cb 0.36 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 3kvg h GLN 172 CO 0.01 0.96 -0.32 0.00 -2.65 0.00 0.00 178.83 176.82 3kvg h ALA 173 N 1.10 1.15 -0.47 3.38 0.00 -1.17 0.20 119.26 123.44 3kvg h ALA 173 Ca 0.22 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3kvg h ALA 173 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kvg h ALA 173 CO -0.00 0.55 -0.22 1.15 0.00 0.00 0.00 179.25 180.73 3kvg h THR 174 N 0.28 1.27 -0.70 0.00 2.02 -1.13 -1.46 112.91 113.19 3kvg h THR 174 Ca 0.04 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 65.77 3kvg h THR 174 Cb 0.72 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3kvg h THR 174 CO 0.05 0.48 0.19 0.50 0.37 0.00 0.00 175.52 177.11 3kvg h LYS 175 N 0.83 1.11 -0.79 6.66 3.64 -0.94 -2.40 116.57 124.68 3kvg h LYS 175 Ca 0.11 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3kvg h LYS 175 Cb 0.80 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3kvg h LYS 175 CO 0.07 0.97 0.35 -0.44 -2.27 0.00 0.00 179.45 178.13 3kvg h ASP 176 N 1.05 1.05 -0.99 4.20 3.32 -0.78 -1.24 116.42 123.02 3kvg h ASP 176 Ca 0.22 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.16 3kvg h ASP 176 Cb 0.34 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3kvg h ASP 176 CO -0.00 0.90 0.65 0.00 -1.72 0.00 0.00 179.24 179.07 3kvg h ALA 177 N 1.26 1.30 -0.17 3.45 0.00 -0.88 0.17 119.26 124.39 3kvg h ALA 177 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3kvg h ALA 177 Cb 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kvg h ALA 177 CO -0.03 0.58 0.07 0.78 0.00 0.00 0.00 179.25 180.65 3kvg h GLY 178 N 1.29 0.28 1.00 0.00 0.00 -0.91 -2.43 103.07 102.30 3kvg h GLY 178 Ca 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kvg h GLY 178 CO -0.11 0.14 0.44 0.00 0.00 0.00 0.00 176.54 177.01 3kvg h ALA 179 N 0.91 0.90 -0.31 3.60 0.00 -0.69 0.79 119.26 124.46 3kvg h ALA 179 Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kvg h ALA 179 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kvg h ALA 179 CO -0.00 0.37 0.05 0.82 0.00 0.00 0.00 179.25 180.48 3kvg h ILE 180 N 0.97 1.16 -0.00 0.00 2.04 -0.92 -1.32 117.51 119.44 3kvg h ILE 180 Ca 0.26 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3kvg h ILE 180 Cb -0.05 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3kvg h ILE 180 CO -0.05 0.21 -0.01 0.00 0.00 0.00 0.00 178.15 178.30 3kvg n ALA 181 N -2.48 2.62 -0.96 1.87 0.00 -0.88 -4.90 120.51 115.78 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 0.20 -1.48 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 1.13 0.43 3.87 0.00 0.00 -0.50 -4.69 105.19 105.43 3kvg n GLY 182 Ca 0.20 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.60 0.99 1.43 0.22 -4.79 118.68 120.31 3kvg s LEU 183 Ca 0.00 0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 53.57 3kvg s LEU 183 Cb 0.00 -2.76 0.10 0.00 0.03 0.00 0.00 46.19 43.56 3kvg s LEU 183 CO 0.00 0.23 0.74 0.21 0.23 0.00 0.00 176.35 177.76 3kvg s ASN 184 N -1.66 6.18 -0.76 2.29 2.47 0.99 -3.58 114.94 120.88 3kvg s ASN 184 Ca 0.29 -1.36 -0.27 0.00 0.42 0.00 0.00 52.86 51.94 3kvg s ASN 184 Cb -0.14 -2.32 0.03 0.00 -1.45 0.00 0.00 41.25 37.38 3kvg s ASN 184 CO 0.16 -1.15 1.29 -0.69 -3.72 0.00 0.00 177.10 172.99 3kvg s VAL 185 N 2.86 3.73 0.27 -5.21 1.01 -1.26 -1.21 120.40 120.60 3kvg s VAL 185 Ca 0.13 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 3kvg s VAL 185 Cb -0.23 -4.93 0.11 0.00 0.00 0.00 0.00 36.38 31.33 3kvg s VAL 185 CO 0.07 -1.87 1.76 0.24 0.00 0.00 0.00 175.10 175.31 3kvg h MET 186 N 10.01 0.72 -1.88 2.72 0.00 -1.24 -3.46 114.93 121.81 3kvg h MET 186 Ca -0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 59.70 59.24 3kvg h MET 186 Cb 1.05 -0.08 -0.21 0.00 0.00 0.00 0.00 31.60 32.36 3kvg h MET 186 CO 1.29 0.76 0.27 0.50 0.00 0.00 0.00 176.91 179.73 3kvg s ARG 187 N -4.90 0.87 -0.28 1.72 3.52 -1.25 -5.07 118.95 113.56 3kvg s ARG 187 Ca -0.09 0.44 -0.10 0.00 -0.13 0.00 0.00 55.73 55.85 3kvg s ARG 187 Cb 0.15 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.90 3kvg s ARG 187 CO 0.80 -0.22 0.17 0.42 -0.81 0.00 0.00 175.30 175.66 3kvg s ILE 188 N -0.68 5.14 0.23 4.11 -1.09 -1.26 -2.62 121.20 125.02 3kvg s ILE 188 Ca -0.05 0.10 0.12 0.00 -2.23 0.00 0.00 60.65 58.58 3kvg s ILE 188 Cb -0.02 -3.45 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 3kvg s ILE 188 CO 0.05 0.26 -0.22 0.27 -1.23 0.00 0.00 174.94 174.06 3kvg s ILE 189 N 1.73 2.39 0.28 2.92 -4.36 -1.00 -5.00 121.20 118.16 3kvg s ILE 189 Ca 0.07 -2.20 -0.29 0.00 -0.26 0.00 0.00 60.65 57.97 3kvg s ILE 189 Cb -0.16 -2.19 -0.10 0.00 1.25 0.00 0.00 42.46 41.26 3kvg s ILE 189 CO 0.10 -0.25 1.17 0.20 0.24 0.00 0.00 174.94 176.40 3kvg s ASN 190 N -3.05 7.11 0.15 4.36 0.01 -1.26 -1.28 114.94 120.99 3kvg s ASN 190 Ca 0.25 2.37 -0.17 0.00 -0.71 0.00 0.00 52.86 54.60 3kvg s ASN 190 Cb -0.06 -2.63 0.06 0.00 0.41 0.00 0.00 41.25 39.02 3kvg s ASN 190 CO 0.12 -0.28 1.73 -0.33 -1.51 0.00 0.00 177.10 176.83 3kvg h GLU 191 N 3.95 0.17 -0.21 -0.60 5.08 -1.00 -1.84 114.58 120.12 3kvg h GLU 191 Ca -0.47 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3kvg h GLU 191 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3kvg h GLU 191 CO 0.68 0.11 -0.00 -1.00 -1.00 0.00 0.00 179.01 177.80 3kvg h PRO 192 N 0.18 0.31 -0.42 2.33 0.13 -1.94 -2.02 132.00 130.57 3kvg h PRO 192 Ca 0.16 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 65.15 3kvg h PRO 192 Cb 0.18 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 3kvg h PRO 192 CO -0.21 0.34 -0.09 1.15 -0.23 0.00 0.00 178.00 178.95 3kvg h THR 193 N 0.30 1.27 -0.63 1.56 2.02 -1.89 -1.97 112.91 113.57 3kvg h THR 193 Ca 0.07 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.07 3kvg h THR 193 Cb 0.21 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3kvg h THR 193 CO 0.00 0.40 0.41 0.00 0.37 0.00 0.00 175.52 176.70 3kvg h ALA 194 N 0.86 0.80 -0.71 6.16 0.00 -0.79 0.77 119.26 126.35 3kvg h ALA 194 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kvg h ALA 194 Cb 0.62 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3kvg h ALA 194 CO 0.04 0.24 0.25 0.00 0.00 0.00 0.00 179.25 179.78 3kvg h ALA 195 N 1.22 1.10 -0.55 0.00 0.00 -1.28 0.39 119.26 120.14 3kvg h ALA 195 Ca 0.23 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kvg h ALA 195 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3kvg h ALA 195 CO -0.05 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.85 3kvg h ALA 196 N 1.23 0.74 -0.67 0.00 0.00 -0.73 -2.68 119.26 117.15 3kvg h ALA 196 Ca 0.23 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kvg h ALA 196 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3kvg h ALA 196 CO -0.01 0.54 0.34 0.82 0.00 0.00 0.00 179.25 180.94 3kvg h ILE 197 N 0.84 1.22 -0.85 0.00 2.04 -0.46 -2.57 117.51 117.73 3kvg h ILE 197 Ca 0.16 -0.60 0.12 0.00 1.00 0.00 0.00 64.86 65.54 3kvg h ILE 197 Cb 0.51 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3kvg h ILE 197 CO 0.02 0.25 0.55 0.00 0.00 0.00 0.00 178.15 178.98 3kvg h ALA 198 N 1.16 1.81 -0.10 1.87 0.00 -0.60 -0.71 119.26 122.69 3kvg h ALA 198 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kvg h ALA 198 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kvg h ALA 198 CO -0.03 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.87 3kvg n TYR 199 N -4.53 0.11 -3.24 0.00 4.01 -1.06 -4.88 117.16 107.56 3kvg n TYR 199 Ca 0.15 -0.05 -0.23 0.00 -0.16 0.00 0.00 57.90 57.61 3kvg n TYR 199 Cb 0.41 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.48 3kvg n TYR 199 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kvg n GLY 200 N 1.20 -0.53 0.14 2.72 0.00 -0.27 -4.89 105.19 103.57 3kvg n GLY 200 Ca 0.18 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.28 0.63 -0.61 0.99 4.77 -0.99 -1.83 117.00 115.68 3kvg n LEU 201 Ca -0.07 0.71 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3kvg n LEU 201 Cb 0.59 -0.68 0.40 0.00 -2.33 0.00 0.00 43.42 41.40 3kvg n LEU 201 CO 0.54 -0.72 0.79 -0.90 -1.33 0.00 0.00 177.39 175.77 3kvg n ASP 202 N -2.25 1.86 -0.44 -1.43 5.75 -1.26 -3.91 116.55 114.87 3kvg n ASP 202 Ca 0.01 -1.67 0.06 0.00 -0.01 0.00 0.00 54.79 53.18 3kvg n ASP 202 Cb 0.15 -0.07 0.12 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.44 1.00 0.13 0.11 5.02 -0.76 -4.63 118.16 119.48 3kvg n LYS 203 Ca 0.17 -2.43 0.13 0.00 -2.02 0.00 0.00 58.31 54.16 3kvg n LYS 203 Cb 0.38 -1.19 0.40 0.00 -0.02 0.00 0.00 35.03 34.60 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 0.37 0.00 -5.62 1.97 1.79 -1.68 -3.48 116.57 109.93 3kvg h LYS 204 Ca -0.02 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 3kvg h LYS 204 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3kvg h LYS 204 CO 0.01 0.00 -0.34 0.41 -1.08 0.00 0.00 179.45 178.45 3kvg n GLY 205 N 1.00 -1.19 0.00 3.86 0.00 -1.26 -5.05 105.19 102.54 3kvg n GLY 205 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3kvg n GLY 205 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kvg n THR 206 N -1.49 0.00 0.00 2.61 -1.04 -1.26 -5.17 114.28 107.93 3kvg n THR 206 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3kvg n THR 206 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3kvg n THR 206 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kvg n GLY 207 N 0.00 0.71 3.77 3.41 0.00 -1.26 -5.02 105.19 106.80 3kvg n GLY 207 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 2.99 4.23 -0.04 1.61 -6.30 -1.26 -4.82 118.70 115.10 3kvg s GLU 208 Ca 0.00 2.39 0.03 0.00 -2.50 0.00 0.00 54.97 54.89 3kvg s GLU 208 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 34.13 31.11 3kvg s GLU 208 CO 0.00 -0.37 -0.11 0.50 0.02 0.00 0.00 175.26 175.30 3kvg s ARG 209 N -1.77 1.35 -0.25 4.30 3.52 -0.91 -4.95 118.95 120.24 3kvg s ARG 209 Ca 0.52 -0.37 -0.08 0.00 -0.13 0.00 0.00 55.73 55.67 3kvg s ARG 209 Cb -0.43 -1.18 -0.03 0.00 -1.56 0.00 0.00 34.95 31.75 3kvg s ARG 209 CO 0.57 0.08 0.08 -0.80 -0.81 0.00 0.00 175.30 174.42 3kvg s ASN 210 N 0.42 5.27 -0.10 -2.12 0.01 -1.26 -0.66 114.94 116.51 3kvg s ASN 210 Ca -0.08 -0.16 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 3kvg s ASN 210 Cb -0.12 -1.95 0.01 0.00 0.41 0.00 0.00 41.25 39.60 3kvg s ASN 210 CO 0.02 -0.02 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.72 3kvg s VAL 211 N 1.51 1.63 -0.22 1.60 1.01 -0.01 -0.57 120.40 125.35 3kvg s VAL 211 Ca 0.06 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3kvg s VAL 211 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3kvg s VAL 211 CO 0.04 0.46 0.04 -0.22 0.00 0.00 0.00 175.10 175.43 3kvg s LEU 212 N 0.66 3.40 -0.24 3.92 0.20 0.09 -0.33 118.68 126.38 3kvg s LEU 212 Ca -0.13 -0.18 -0.09 0.00 0.69 0.00 0.00 54.13 54.42 3kvg s LEU 212 Cb -0.16 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 3kvg s LEU 212 CO 0.04 0.03 0.12 -0.63 -0.29 0.00 0.00 176.35 175.61 3kvg s ILE 213 N 1.23 4.86 -0.41 6.68 -1.09 0.46 -0.31 121.20 132.62 3kvg s ILE 213 Ca 0.04 0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.41 3kvg s ILE 213 Cb -0.15 -3.27 0.09 0.00 -1.58 0.00 0.00 42.46 37.56 3kvg s ILE 213 CO 0.02 0.34 0.22 0.12 -1.23 0.00 0.00 174.94 174.41 3kvg s PHE 214 N 1.33 3.43 -0.31 3.97 5.36 -0.01 -1.35 117.98 130.40 3kvg s PHE 214 Ca 0.06 -1.92 -0.01 0.00 -0.96 0.00 0.00 56.93 54.11 3kvg s PHE 214 Cb -0.15 -3.02 0.06 0.00 -0.34 0.00 0.00 43.02 39.57 3kvg s PHE 214 CO 0.05 -0.91 0.00 0.34 -1.46 0.00 0.00 175.22 173.25 3kvg s ASP 215 N 1.99 4.84 -0.31 6.13 -1.08 0.49 -1.45 116.67 127.29 3kvg s ASP 215 Ca 0.04 -1.42 0.03 0.00 -0.52 0.00 0.00 52.55 50.68 3kvg s ASP 215 Cb -0.23 -1.69 0.09 0.00 -1.46 0.00 0.00 42.92 39.63 3kvg s ASP 215 CO -0.01 -0.28 0.02 -0.22 0.52 0.00 0.00 175.17 175.20 3kvg s LEU 216 N 1.19 3.94 0.00 -1.34 2.96 -0.65 -0.12 118.68 124.66 3kvg s LEU 216 Ca -0.04 -1.85 0.00 0.00 -0.22 0.00 0.00 54.13 52.02 3kvg s LEU 216 Cb -0.20 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3kvg s LEU 216 CO -0.02 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.28 3kvg n GLY 217 N 4.41 2.02 0.15 7.98 0.00 -0.75 -1.72 105.19 117.29 3kvg n GLY 217 Ca -0.02 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 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 0.63 0.00 -0.02 0.00 -1.92 0.43 103.07 102.19 3kvg h GLY 218 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 47.33 45.84 3kvg h GLY 218 CO 0.00 1.31 -0.79 0.61 0.00 0.00 0.00 176.54 177.67 3kvg n GLY 219 N 1.60 0.08 3.34 4.60 0.00 -1.26 -0.69 105.19 112.87 3kvg n GLY 219 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 1.61 -0.15 2.61 -4.23 -1.20 -2.48 115.64 110.16 3kvg s THR 220 Ca 0.00 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 3kvg s THR 220 Cb 0.00 -2.09 0.04 0.00 1.34 0.00 0.00 72.50 71.79 3kvg s THR 220 CO 0.00 -0.56 -0.04 0.12 -0.54 0.00 0.00 174.62 173.60 3kvg s PHE 221 N -3.05 1.52 -0.08 3.99 5.36 -0.05 -1.81 117.98 123.85 3kvg s PHE 221 Ca 0.23 -0.93 0.02 0.00 -0.96 0.00 0.00 56.93 55.29 3kvg s PHE 221 Cb 0.01 -1.23 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 3kvg s PHE 221 CO 0.07 -0.58 -0.13 -0.51 -1.46 0.00 0.00 175.22 172.61 3kvg s ASP 222 N 1.69 2.06 -0.14 6.13 1.01 0.83 -0.88 116.67 127.36 3kvg s ASP 222 Ca 0.02 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.94 3kvg s ASP 222 Cb -0.15 -0.92 0.00 0.00 1.01 0.00 0.00 42.92 42.86 3kvg s ASP 222 CO -0.08 0.02 -0.18 -0.69 0.21 0.00 0.00 175.17 174.45 3kvg s VAL 223 N 0.84 2.45 -0.00 -1.27 1.01 0.12 -0.38 120.40 123.17 3kvg s VAL 223 Ca -0.11 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3kvg s VAL 223 Cb -0.15 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3kvg s VAL 223 CO 0.01 0.53 -0.12 -0.44 0.00 0.00 0.00 175.10 175.09 3kvg s SER 224 N 0.72 1.35 -0.21 3.32 0.01 -0.46 -1.07 113.70 117.36 3kvg s SER 224 Ca -0.08 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 3kvg s SER 224 Cb -0.16 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 65.94 3kvg s SER 224 CO 0.01 0.13 -0.10 -0.22 0.41 0.00 0.00 173.24 173.46 3kvg s LEU 225 N -0.36 2.70 0.24 2.44 2.96 0.40 -0.40 118.68 126.66 3kvg s LEU 225 Ca 0.04 -0.62 0.11 0.00 -0.22 0.00 0.00 54.13 53.44 3kvg s LEU 225 Cb -0.05 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 3kvg s LEU 225 CO -0.00 -0.04 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.09 3kvg s LEU 226 N 1.37 2.80 -0.02 -0.68 1.43 0.56 -0.58 118.68 123.55 3kvg s LEU 226 Ca 0.04 -0.82 0.06 0.00 -1.03 0.00 0.00 54.13 52.38 3kvg s LEU 226 Cb -0.14 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 3kvg s LEU 226 CO -0.07 0.05 -0.21 0.42 0.23 0.00 0.00 176.35 176.77 3kvg s THR 227 N -2.18 1.67 -0.45 5.49 -4.23 -0.04 -0.83 115.64 115.07 3kvg s THR 227 Ca 0.28 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 3kvg s THR 227 Cb -0.07 -1.40 0.12 0.00 1.34 0.00 0.00 72.50 72.50 3kvg s THR 227 CO 0.16 0.47 0.25 -0.63 -0.54 0.00 0.00 174.62 174.33 3kvg s ILE 228 N -0.42 3.38 -0.20 2.99 1.01 0.17 -0.79 121.20 127.34 3kvg s ILE 228 Ca 0.06 -2.20 -0.02 0.00 0.00 0.00 0.00 60.65 58.48 3kvg s ILE 228 Cb -0.09 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.08 3kvg s ILE 228 CO -0.00 -0.73 -0.09 -1.61 0.00 0.00 0.00 174.94 172.52 3kvg s GLU 229 N 0.94 3.30 -1.47 2.79 2.02 -0.32 -2.13 118.70 123.82 3kvg s GLU 229 Ca 0.10 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 54.30 3kvg s GLU 229 Cb -0.23 -2.88 0.06 0.00 0.10 0.00 0.00 34.13 31.19 3kvg s GLU 229 CO -0.04 -0.15 0.85 -0.25 0.02 0.00 0.00 175.26 175.69 3kvg n ASP 230 N 4.61 -5.00 0.00 -0.19 8.00 -1.26 -0.89 116.55 121.82 3kvg n ASP 230 Ca -0.19 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3kvg n ASP 230 Cb 0.51 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 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 -1.60 0.53 3.73 0.44 0.00 -1.26 -5.00 105.19 102.03 3kvg n GLY 231 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.46 5.34 0.07 -0.61 1.01 -0.07 -5.05 121.20 119.42 3kvg s ILE 232 Ca 0.00 0.44 -0.22 0.00 0.00 0.00 0.00 60.65 60.88 3kvg s ILE 232 Cb 0.00 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.82 3kvg s ILE 232 CO 0.00 0.40 0.64 -0.36 0.00 0.00 0.00 174.94 175.62 3kvg s PHE 233 N 0.44 3.78 -0.05 3.97 0.08 -1.26 -1.18 117.98 123.76 3kvg s PHE 233 Ca 0.14 1.35 -0.01 0.00 0.12 0.00 0.00 56.93 58.53 3kvg s PHE 233 Cb -0.12 -2.62 0.03 0.00 -0.57 0.00 0.00 43.02 39.73 3kvg s PHE 233 CO 0.02 0.47 0.02 -2.00 -0.10 0.00 0.00 175.22 173.63 3kvg s GLU 234 N -0.73 0.31 -0.43 0.44 2.12 0.03 -4.99 118.70 115.45 3kvg s GLU 234 Ca 0.32 0.21 -0.29 0.00 0.36 0.00 0.00 54.97 55.57 3kvg s GLU 234 Cb -0.20 -0.74 0.02 0.00 0.26 0.00 0.00 34.13 33.48 3kvg s GLU 234 CO 0.20 -0.29 1.15 0.08 -0.54 0.00 0.00 175.26 175.86 3kvg s VAL 235 N 1.94 4.25 -0.11 3.70 1.01 -1.26 -0.86 120.40 129.07 3kvg s VAL 235 Ca 0.03 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.19 3kvg s VAL 235 Cb -0.12 -4.51 -0.27 0.00 0.00 0.00 0.00 36.38 31.48 3kvg s VAL 235 CO -0.04 -0.84 0.53 0.07 0.00 0.00 0.00 175.10 174.82 3kvg h LYS 236 N 9.07 0.24 -2.85 2.72 -0.00 -1.19 -3.49 116.57 121.07 3kvg h LYS 236 Ca -0.23 -0.41 -0.12 0.00 -0.00 0.00 0.00 60.65 59.90 3kvg h LYS 236 Cb 1.07 0.15 -0.22 0.00 -0.00 0.00 0.00 32.23 33.23 3kvg h LYS 236 CO 1.10 1.20 -0.23 0.00 -0.00 0.00 0.00 179.45 181.52 3kvg s ALA 237 N -2.48 -0.94 0.02 0.07 0.00 -1.11 -4.84 121.76 112.48 3kvg s ALA 237 Ca -0.20 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.49 3kvg s ALA 237 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3kvg s ALA 237 CO 0.76 -0.24 -0.07 0.95 0.00 0.00 0.00 175.76 177.16 3kvg s THR 238 N -0.71 0.51 0.16 0.00 -4.23 -1.26 -0.45 115.64 109.66 3kvg s THR 238 Ca -0.08 -0.60 -0.20 0.00 -1.18 0.00 0.00 61.69 59.63 3kvg s THR 238 Cb -0.04 -0.49 0.05 0.00 1.34 0.00 0.00 72.50 73.36 3kvg s THR 238 CO 0.03 -0.08 0.53 0.00 -0.54 0.00 0.00 174.62 174.56 3kvg s ALA 239 N -0.65 -1.26 0.00 3.99 0.00 -0.23 -4.91 121.76 118.70 3kvg s ALA 239 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3kvg s ALA 239 Cb -0.05 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3kvg s ALA 239 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3kvg n GLY 240 N -0.33 -0.30 2.92 0.00 0.00 -1.26 0.12 105.19 106.34 3kvg n GLY 240 Ca -0.15 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 0.63 0.00 1.61 -1.08 -0.06 -5.01 116.67 108.76 3kvg s ASP 241 Ca 0.00 0.36 0.19 0.00 -0.52 0.00 0.00 52.55 52.58 3kvg s ASP 241 Cb 0.00 0.58 0.96 0.00 -1.46 0.00 0.00 42.92 43.00 3kvg s ASP 241 CO 0.00 -0.26 1.56 0.35 0.52 0.00 0.00 175.17 177.34 3kvg n THR 242 N 5.34 0.40 -2.29 1.71 -2.24 -1.26 -0.87 114.28 115.07 3kvg n THR 242 Ca -0.06 0.10 -0.18 0.00 -2.27 0.00 0.00 64.05 61.64 3kvg n THR 242 Cb 0.50 -0.79 0.02 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.25 2.43 -3.52 4.78 8.25 -1.25 -4.40 115.22 120.27 3kvg n HIS 243 Ca 0.09 -2.34 -0.20 0.00 -0.26 0.00 0.00 57.72 55.02 3kvg n HIS 243 Cb 0.14 -0.29 -0.14 0.00 1.12 0.00 0.00 29.99 30.82 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 -3.62 -0.01 0.00 2.41 2.96 -1.04 -5.00 118.68 114.39 3kvg s LEU 244 Ca 0.44 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.96 3kvg s LEU 244 Cb 0.39 0.25 0.03 0.00 0.50 0.00 0.00 46.19 47.36 3kvg s LEU 244 CO -0.01 -0.33 0.37 0.61 -1.32 0.00 0.00 176.35 175.68 3kvg n GLY 245 N 5.31 1.25 0.41 7.98 0.00 -1.25 -2.23 105.19 116.66 3kvg n GLY 245 Ca -0.06 -1.05 0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 0.79 0.18 1.04 -0.02 0.00 -0.02 -1.84 103.07 103.19 3kvg h GLY 246 Ca -0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3kvg h GLY 246 CO 0.16 0.01 0.32 0.83 0.00 0.00 0.00 176.54 177.86 3kvg h GLU 247 N 0.10 1.16 -0.07 4.80 4.39 -1.18 -1.79 114.58 121.98 3kvg h GLU 247 Ca 0.33 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 3kvg h GLU 247 Cb 1.19 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 3kvg h GLU 247 CO -0.04 0.94 -0.34 -0.44 -1.16 0.00 0.00 179.01 177.97 3kvg h ASP 248 N 1.13 0.14 -0.23 1.42 3.32 -1.56 -1.05 116.42 119.59 3kvg h ASP 248 Ca 0.26 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 57.07 3kvg h ASP 248 Cb 0.20 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kvg h ASP 248 CO -0.02 0.48 -0.63 -0.26 -1.72 0.00 0.00 179.24 177.08 3kvg h PHE 249 N 0.12 1.08 -0.56 4.55 0.04 -1.41 -2.64 116.94 118.12 3kvg h PHE 249 Ca 0.02 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.37 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 1.25 0.36 -0.44 -0.60 0.00 0.00 178.31 178.89 3kvg h ASP 250 N 0.60 0.65 -0.91 2.17 5.19 -1.00 -2.21 116.42 120.91 3kvg h ASP 250 Ca -0.01 -0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.51 3kvg h ASP 250 Cb 1.25 -0.16 -0.09 0.00 0.18 0.00 0.00 39.33 40.50 3kvg h ASP 250 CO 0.14 0.49 0.52 0.78 -3.12 0.00 0.00 179.24 178.04 3kvg h ASN 251 N 0.76 0.69 -0.04 6.45 2.35 -1.11 0.23 115.58 124.91 3kvg h ASN 251 Ca 0.20 0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.92 3kvg h ASN 251 Cb -0.07 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3kvg h ASN 251 CO -0.04 0.31 -0.31 0.03 -1.65 0.00 0.00 177.43 175.77 3kvg h ARG 252 N 0.75 0.50 -0.06 0.81 2.47 -1.04 0.33 114.38 118.13 3kvg h ARG 252 Ca 0.49 -0.21 -0.15 0.00 -1.26 0.00 0.00 59.98 58.84 3kvg h ARG 252 Cb 0.63 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3kvg h ARG 252 CO -0.33 0.75 -0.56 -0.07 0.56 0.00 0.00 179.97 180.33 3kvg h LEU 253 N 0.43 0.60 -0.02 3.04 3.38 -0.77 -2.85 115.31 119.12 3kvg h LEU 253 Ca 0.05 -0.69 0.01 0.00 0.09 0.00 0.00 57.88 57.35 3kvg h LEU 253 Cb 0.75 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3kvg h LEU 253 CO 0.06 1.19 -0.04 0.58 0.09 0.00 0.00 178.44 180.32 3kvg h VAL 254 N 0.05 0.87 -0.91 1.22 2.07 -0.48 -1.44 116.25 117.64 3kvg h VAL 254 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 3kvg h VAL 254 Cb 1.23 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 3kvg h VAL 254 CO 0.11 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 177.96 3kvg h GLU 255 N -0.07 0.98 -0.10 1.57 5.08 -1.01 0.93 114.58 121.96 3kvg h GLU 255 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3kvg h GLU 255 Cb 0.11 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3kvg h GLU 255 CO -0.06 0.65 0.01 0.35 -1.00 0.00 0.00 179.01 178.96 3kvg h PHE 256 N 1.01 0.18 -0.25 4.33 3.57 -1.21 -2.48 116.94 122.09 3kvg h PHE 256 Ca 0.39 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 3kvg h PHE 256 Cb 0.23 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3kvg h PHE 256 CO -0.00 0.38 -0.21 0.00 -2.23 0.00 0.00 178.31 176.26 3kvg h VAL 258 N 0.40 1.20 -0.48 0.00 2.07 -0.80 -0.48 116.25 118.16 3kvg h VAL 258 Ca 0.07 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.82 3kvg h VAL 258 Cb 0.59 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3kvg h VAL 258 CO 0.04 0.22 -0.19 1.56 0.02 0.00 0.00 177.57 179.22 3kvg h GLN 259 N 0.37 0.97 -0.50 1.57 7.50 -1.32 -2.02 115.11 121.68 3kvg h GLN 259 Ca 0.11 -0.39 -0.06 0.00 0.50 0.00 0.00 58.65 58.81 3kvg h GLN 259 Cb 0.23 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 3kvg h GLN 259 CO -0.00 1.06 0.08 0.22 -1.50 0.00 0.00 178.83 178.69 3kvg h ASP 260 N 0.84 0.73 -0.29 1.46 1.82 -0.95 -1.28 116.42 118.76 3kvg h ASP 260 Ca 0.12 -0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 3kvg h ASP 260 Cb 0.75 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 3kvg h ASP 260 CO 0.06 0.75 -0.23 0.15 -1.61 0.00 0.00 179.24 178.36 3kvg h PHE 261 N 0.75 0.79 -0.60 0.28 3.04 -0.93 -2.09 116.94 118.18 3kvg h PHE 261 Ca 0.16 -0.22 0.04 0.00 3.98 0.00 0.00 57.97 61.92 3kvg h PHE 261 Cb 0.33 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 3kvg h PHE 261 CO 0.02 0.94 0.35 0.87 -2.02 0.00 0.00 178.31 178.47 3kvg h LYS 262 N 0.41 0.66 -0.39 1.11 1.57 -1.03 0.12 116.57 119.02 3kvg h LYS 262 Ca 0.05 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3kvg h LYS 262 Cb 0.78 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3kvg h LYS 262 CO 0.06 0.44 -0.11 0.00 -0.57 0.00 0.00 179.45 179.27 3kvg h ARG 263 N 0.68 0.76 0.00 3.15 3.08 -1.23 0.26 114.38 121.08 3kvg h ARG 263 Ca 0.25 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 3kvg h ARG 263 Cb 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3kvg h ARG 263 CO -0.13 0.90 -0.66 0.87 -1.07 0.00 0.00 179.97 179.89 3kvg h LYS 264 N 0.57 0.00 -2.16 0.04 1.57 -1.19 -3.39 116.57 112.01 3kvg h LYS 264 Ca 0.10 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.32 3kvg h LYS 264 Cb 0.63 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.53 3kvg h LYS 264 CO 0.04 0.66 -0.86 0.09 -0.57 0.00 0.00 179.45 178.82 3kvg n ASN 265 N -3.74 2.84 -4.33 0.86 3.02 0.38 -5.01 115.26 109.28 3kvg n ASN 265 Ca -0.01 -3.35 -0.35 0.00 -0.03 0.00 0.00 54.58 50.84 3kvg n ASN 265 Cb 0.66 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.21 -0.85 -1.14 3.52 1.85 -1.20 -1.63 116.66 117.41 3kvg n ARG 266 Ca 0.28 0.11 -0.05 0.00 -1.00 0.00 0.00 57.85 57.19 3kvg n ARG 266 Cb 0.49 -3.90 -0.02 0.00 -1.05 0.00 0.00 32.46 27.98 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 -1.94 0.76 3.66 2.89 0.00 0.92 -5.01 105.19 106.47 3kvg n GLY 267 Ca -0.15 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.37 4.19 -0.58 1.61 1.00 -0.65 -4.92 119.30 117.58 3kvg s MET 268 Ca 0.00 1.94 -0.18 0.00 0.00 0.00 0.00 55.69 57.45 3kvg s MET 268 Cb 0.00 -3.90 0.11 0.00 0.00 0.00 0.00 34.83 31.04 3kvg s MET 268 CO 0.00 -0.81 0.67 0.34 0.00 0.00 0.00 175.02 175.22 3kvg s ASP 269 N 2.81 6.18 0.26 3.03 2.15 -1.26 -3.87 116.67 125.97 3kvg s ASP 269 Ca 0.65 -1.46 0.22 0.00 0.43 0.00 0.00 52.55 52.39 3kvg s ASP 269 Cb -0.28 -2.29 0.99 0.00 -0.30 0.00 0.00 42.92 41.04 3kvg s ASP 269 CO 0.23 -1.06 1.68 0.00 -0.17 0.00 0.00 175.17 175.85 3kvg n LEU 270 N 6.16 0.61 0.18 -1.34 -0.00 -1.26 -3.10 117.00 118.24 3kvg n LEU 270 Ca -0.10 0.68 0.14 0.00 -0.00 0.00 0.00 56.01 56.72 3kvg n LEU 270 Cb 0.42 -0.62 0.62 0.00 -0.00 0.00 0.00 43.42 43.83 3kvg n LEU 270 CO 0.57 -0.63 0.90 0.71 -0.00 0.00 0.00 177.39 178.95 3kvg h THR 271 N 0.00 0.00 0.00 1.47 1.35 -1.97 -2.32 112.91 111.44 3kvg h THR 271 Ca 0.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 3kvg h THR 271 Cb 0.28 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3kvg h THR 271 CO 0.00 0.00 -0.08 0.71 -0.25 0.00 0.00 175.52 175.90 3kvg h THR 272 N 0.00 0.19 -3.60 6.82 1.35 -1.99 -3.40 112.91 112.28 3kvg h THR 272 Ca 0.00 -0.75 -0.70 0.00 -0.55 0.00 0.00 66.41 64.41 3kvg h THR 272 Cb 0.27 1.63 -0.29 0.00 -1.73 0.00 0.00 68.15 68.03 3kvg h THR 272 CO 0.00 0.07 -0.56 0.21 -0.25 0.00 0.00 175.52 174.99 3kvg s ASN 273 N -5.90 5.41 0.25 5.36 3.84 -0.87 -5.00 114.94 118.02 3kvg s ASN 273 Ca 0.01 -1.31 -0.04 0.00 0.21 0.00 0.00 52.86 51.73 3kvg s ASN 273 Cb 0.09 -1.90 0.37 0.00 -0.55 0.00 0.00 41.25 39.26 3kvg s ASN 273 CO 0.58 -0.40 1.87 0.00 -2.79 0.00 0.00 177.10 176.36 3kvg h ALA 274 N 8.26 1.30 -0.35 1.71 0.00 -1.82 -1.93 119.26 126.43 3kvg h ALA 274 Ca -0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3kvg h ALA 274 Cb 1.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3kvg h ALA 274 CO 0.65 0.37 0.16 0.00 0.00 0.00 0.00 179.25 180.43 3kvg h ARG 275 N 1.09 0.51 -0.35 0.00 3.08 -1.93 -1.00 114.38 115.77 3kvg h ARG 275 Ca 0.41 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 3kvg h ARG 275 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3kvg h ARG 275 CO -0.17 0.48 0.10 0.00 -1.07 0.00 0.00 179.97 179.30 3kvg h ALA 276 N 1.01 0.46 -0.59 0.04 0.00 -1.75 -1.70 119.26 116.72 3kvg h ALA 276 Ca 0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3kvg h ALA 276 Cb 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3kvg h ALA 276 CO -0.01 0.11 0.12 1.25 0.00 0.00 0.00 179.25 180.72 3kvg h LEU 277 N 0.41 0.88 -0.49 0.00 5.85 -1.31 -1.69 115.31 118.97 3kvg h LEU 277 Ca 0.11 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 3kvg h LEU 277 Cb 0.27 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3kvg h LEU 277 CO -0.00 0.87 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.72 3kvg h ARG 278 N 0.89 0.97 -0.74 1.25 9.65 -1.02 0.69 114.38 126.06 3kvg h ARG 278 Ca 0.19 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 3kvg h ARG 278 Cb 0.35 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.85 3kvg h ARG 278 CO 0.00 1.06 0.40 0.00 2.80 0.00 0.00 179.97 184.23 3kvg h ARG 279 N 0.82 1.03 -0.08 0.20 3.08 -1.10 -0.41 114.38 117.93 3kvg h ARG 279 Ca 0.12 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kvg h ARG 279 Cb 0.72 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kvg h ARG 279 CO 0.06 0.77 0.02 1.25 -1.07 0.00 0.00 179.97 180.99 3kvg h LEU 280 N 1.02 0.13 -0.90 3.04 5.85 -1.10 -2.66 115.31 120.69 3kvg h LEU 280 Ca 0.26 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3kvg h LEU 280 Cb 0.04 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3kvg h LEU 280 CO -0.04 0.35 0.59 -0.09 -0.34 0.00 0.00 178.44 178.90 3kvg h ARG 281 N -0.09 1.12 -0.78 1.25 2.43 -0.63 0.46 114.38 118.15 3kvg h ARG 281 Ca 0.03 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3kvg h ARG 281 Cb 0.27 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3kvg h ARG 281 CO 0.00 0.74 0.47 1.15 -1.51 0.00 0.00 179.97 180.83 3kvg h THR 282 N 1.16 1.22 0.00 0.20 2.02 -1.05 -1.51 112.91 114.94 3kvg h THR 282 Ca 0.35 -0.47 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 3kvg h THR 282 Cb -0.03 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 3kvg h THR 282 CO -0.11 0.22 -0.72 1.56 0.37 0.00 0.00 175.52 176.85 3kvg h GLN 283 N 1.06 0.00 -0.37 6.66 1.08 -1.04 -2.68 115.11 119.82 3kvg h GLN 283 Ca 0.28 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.35 3kvg h GLN 283 Cb -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 3kvg h GLN 283 CO -0.05 0.72 -0.29 0.00 -0.95 0.00 0.00 178.83 178.26 3kvg h GLU 285 N 0.65 0.23 -0.30 0.00 4.57 -1.28 -0.04 114.58 118.41 3kvg h GLU 285 Ca 0.07 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3kvg h GLU 285 Cb 0.86 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3kvg h GLU 285 CO 0.08 0.15 0.20 -0.09 -1.18 0.00 0.00 179.01 178.17 3kvg h ARG 286 N 0.24 0.40 -0.53 1.92 2.43 -1.40 -2.37 114.38 115.08 3kvg h ARG 286 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3kvg h ARG 286 Cb 0.07 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3kvg h ARG 286 CO -0.11 0.28 0.29 0.00 -1.51 0.00 0.00 179.97 178.92 3kvg h ALA 287 N 1.10 0.67 -0.32 2.80 0.00 -0.75 -1.02 119.26 121.75 3kvg h ALA 287 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kvg h ALA 287 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kvg h ALA 287 CO -0.02 0.19 0.18 -0.22 0.00 0.00 0.00 179.25 179.37 3kvg h LYS 288 N 0.70 0.35 -0.67 0.00 3.64 -0.89 -0.98 116.57 118.73 3kvg h LYS 288 Ca 0.19 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3kvg h LYS 288 Cb 0.04 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3kvg h LYS 288 CO -0.03 0.23 0.36 0.00 -2.27 0.00 0.00 179.45 177.74 3kvg h ARG 289 N 0.36 0.93 -0.76 1.90 3.08 -1.18 -2.36 114.38 116.36 3kvg h ARG 289 Ca 0.13 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kvg h ARG 289 Cb 0.01 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 3kvg h ARG 289 CO -0.07 0.71 0.49 1.15 -1.07 0.00 0.00 179.97 181.18 3kvg h THR 290 N 0.91 1.20 0.00 2.04 2.02 -0.80 -2.36 112.91 115.92 3kvg h THR 290 Ca 0.23 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3kvg h THR 290 Cb 0.05 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3kvg h THR 290 CO -0.04 0.20 0.00 0.18 0.37 0.00 0.00 175.52 176.23 3kvg n LEU 291 N -4.41 0.00 0.13 2.58 4.77 -0.41 -0.37 117.00 119.29 3kvg n LEU 291 Ca 0.08 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3kvg n LEU 291 Cb 0.04 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3kvg n LEU 291 CO 0.37 -0.07 0.23 0.28 -1.33 0.00 0.00 177.39 176.86 3kvg h SER 292 N 0.00 0.00 0.00 -1.43 0.02 -1.38 -3.39 113.55 107.38 3kvg h SER 292 Ca 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3kvg h SER 292 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3kvg h SER 292 CO 0.00 0.00 -1.11 -1.20 -1.14 0.00 0.00 176.83 173.38 3kvg n SER 293 N -2.76 4.52 -4.48 3.07 7.64 -0.86 -4.62 113.62 116.12 3kvg n SER 293 Ca 0.01 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.66 3kvg n SER 293 Cb 0.54 0.85 -0.10 0.00 -1.01 0.00 0.00 64.21 64.49 3kvg n SER 293 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kvg s SER 294 N -2.69 3.33 0.01 6.43 0.01 0.50 -5.06 113.70 116.23 3kvg s SER 294 Ca -0.01 -1.14 0.23 0.00 1.31 0.00 0.00 55.95 56.34 3kvg s SER 294 Cb 0.01 -0.27 0.07 0.00 0.21 0.00 0.00 66.02 66.04 3kvg s SER 294 CO 0.08 -0.18 1.09 0.35 0.41 0.00 0.00 173.24 174.99 3kvg n THR 295 N -0.66 0.04 -4.39 1.44 -2.24 -1.26 -4.22 114.28 102.98 3kvg n THR 295 Ca -0.05 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.47 3kvg n THR 295 Cb 0.62 0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 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 -3.06 0.79 0.04 -0.78 -1.52 -1.26 -0.42 119.66 113.45 3kvg s GLN 296 Ca 0.08 -0.33 0.03 0.00 -1.95 0.00 0.00 55.36 53.19 3kvg s GLN 296 Cb 0.16 -0.76 -0.02 0.00 -0.22 0.00 0.00 33.01 32.17 3kvg s GLN 296 CO 0.80 0.19 -0.11 0.00 -0.25 0.00 0.00 175.29 175.92 3kvg s ALA 297 N -0.17 0.85 -0.08 6.09 0.00 0.10 -4.81 121.76 123.75 3kvg s ALA 297 Ca 0.03 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3kvg s ALA 297 Cb -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.00 3kvg s ALA 297 CO -0.00 0.12 -0.17 0.99 0.00 0.00 0.00 175.76 176.70 3kvg s THR 298 N -0.95 1.48 -0.23 0.00 2.01 -1.26 -0.23 115.64 116.45 3kvg s THR 298 Ca -0.03 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 3kvg s THR 298 Cb -0.08 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3kvg s THR 298 CO 0.01 0.43 0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 3kvg s ILE 299 N 0.54 4.14 -0.14 1.82 1.01 -1.01 -4.93 121.20 122.63 3kvg s ILE 299 Ca -0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 3kvg s ILE 299 Cb -0.17 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.43 3kvg s ILE 299 CO 0.06 0.37 -0.03 -1.61 0.00 0.00 0.00 174.94 173.72 3kvg s GLU 300 N 1.42 1.19 -0.19 2.79 0.41 -1.26 -1.67 118.70 121.39 3kvg s GLU 300 Ca 0.05 -0.34 -0.04 0.00 -0.41 0.00 0.00 54.97 54.23 3kvg s GLU 300 Cb -0.15 -1.75 0.06 0.00 -1.78 0.00 0.00 34.13 30.51 3kvg s GLU 300 CO 0.02 -0.41 0.06 -0.51 -0.49 0.00 0.00 175.26 173.94 3kvg s LEU 301 N 1.74 0.80 0.45 1.80 1.43 0.15 -5.01 118.68 120.05 3kvg s LEU 301 Ca 0.02 -0.76 -0.23 0.00 -1.03 0.00 0.00 54.13 52.13 3kvg s LEU 301 Cb -0.14 -0.43 -0.08 0.00 0.03 0.00 0.00 46.19 45.56 3kvg s LEU 301 CO -0.07 -0.33 1.13 1.51 0.23 0.00 0.00 176.35 178.81 3kvg s ASP 302 N 1.99 6.30 -1.54 2.29 -4.77 -1.26 -0.25 116.67 119.44 3kvg s ASP 302 Ca 0.01 2.22 -0.00 0.00 -3.30 0.00 0.00 52.55 51.48 3kvg s ASP 302 Cb -0.17 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.07 3kvg s ASP 302 CO -0.10 -0.82 0.06 -0.24 0.70 0.00 0.00 175.17 174.77 3kvg n SER 303 N -0.44 0.78 0.21 2.11 2.88 -1.25 -4.87 113.62 113.05 3kvg n SER 303 Ca 0.07 -1.25 -0.15 0.00 -1.33 0.00 0.00 58.87 56.22 3kvg n SER 303 Cb 0.49 -1.77 -0.08 0.00 -0.75 0.00 0.00 64.21 62.10 3kvg n SER 303 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3kvg h LEU 304 N -1.79 -0.42 -7.32 2.46 5.85 -1.06 -3.42 115.31 109.60 3kvg h LEU 304 Ca -0.66 -0.08 -0.27 0.00 0.84 0.00 0.00 57.88 57.71 3kvg h LEU 304 Cb 1.40 0.11 -0.34 0.00 0.37 0.00 0.00 40.66 42.20 3kvg h LEU 304 CO 0.70 -0.18 -0.62 -0.47 -0.34 0.00 0.00 178.44 177.54 3kvg s TYR 305 N -5.42 -0.18 -1.46 1.25 5.04 -1.21 -4.60 117.35 110.78 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 -0.19 0.04 0.00 0.35 0.00 0.00 41.96 42.20 3kvg s TYR 305 CO 0.59 -0.23 0.79 0.39 -1.34 0.00 0.00 175.55 175.75 3kvg n GLU 306 N 4.89 -5.36 -0.89 4.97 1.02 -1.26 -1.53 120.64 122.47 3kvg n GLU 306 Ca -0.13 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3kvg n GLU 306 Cb 0.51 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 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 -1.59 0.64 3.69 0.62 0.00 -1.26 -5.00 105.19 102.28 3kvg n GLY 307 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.83 4.84 0.40 -0.61 1.01 -0.58 -4.31 121.20 119.12 3kvg s ILE 308 Ca 0.00 1.90 -0.24 0.00 0.00 0.00 0.00 60.65 62.31 3kvg s ILE 308 Cb 0.00 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 3kvg s ILE 308 CO 0.00 0.05 1.08 -1.81 0.00 0.00 0.00 174.94 174.26 3kvg s ASP 309 N 1.07 6.69 -0.05 3.58 1.01 -1.26 -0.75 116.67 126.96 3kvg s ASP 309 Ca 0.45 2.11 0.02 0.00 0.71 0.00 0.00 52.55 55.84 3kvg s ASP 309 Cb -0.18 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.17 3kvg s ASP 309 CO 0.18 -0.54 -0.08 -0.47 0.21 0.00 0.00 175.17 174.47 3kvg s TYR 310 N -1.60 1.06 -0.07 4.23 5.04 0.66 -4.89 117.35 121.77 3kvg s TYR 310 Ca 0.58 -0.34 -0.06 0.00 -2.44 0.00 0.00 57.07 54.80 3kvg s TYR 310 Cb -0.24 -0.83 0.02 0.00 0.35 0.00 0.00 41.96 41.26 3kvg s TYR 310 CO 0.30 -0.22 0.19 -1.12 -1.34 0.00 0.00 175.55 173.36 3kvg s SER 311 N 0.75 -0.19 0.11 4.32 0.01 -1.26 0.35 113.70 117.79 3kvg s SER 311 Ca -0.13 0.39 -0.12 0.00 1.31 0.00 0.00 55.95 57.41 3kvg s SER 311 Cb -0.15 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.46 3kvg s SER 311 CO 0.02 -0.09 0.29 0.54 0.41 0.00 0.00 173.24 174.40 3kvg s VAL 312 N 0.39 0.11 -0.21 3.43 0.11 -0.67 -5.02 120.40 118.53 3kvg s VAL 312 Ca -0.02 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.04 3kvg s VAL 312 Cb -0.04 -1.34 0.01 0.00 -1.53 0.00 0.00 36.38 33.49 3kvg s VAL 312 CO -0.02 -0.48 -0.11 0.00 -3.33 0.00 0.00 175.10 171.16 3kvg s ALA 313 N -3.85 2.59 -0.23 1.54 0.00 -1.26 -2.39 121.76 118.16 3kvg s ALA 313 Ca 0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 3kvg s ALA 313 Cb 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3kvg s ALA 313 CO -0.10 -0.52 -0.06 0.42 0.00 0.00 0.00 175.76 175.50 3kvg s ILE 314 N 1.35 3.12 0.44 0.00 1.01 0.68 -4.98 121.20 122.81 3kvg s ILE 314 Ca 0.04 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 3kvg s ILE 314 Cb -0.15 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 3kvg s ILE 314 CO -0.07 0.37 0.71 -0.94 0.00 0.00 0.00 174.94 175.00 3kvg s SER 315 N 1.42 6.28 0.23 3.58 1.04 -1.26 0.00 113.70 124.99 3kvg s SER 315 Ca 0.04 0.78 -0.09 0.00 0.48 0.00 0.00 55.95 57.17 3kvg s SER 315 Cb -0.15 -2.18 0.20 0.00 0.10 0.00 0.00 66.02 63.99 3kvg s SER 315 CO -0.05 -0.48 1.90 -0.09 0.98 0.00 0.00 173.24 175.50 3kvg h ARG 316 N 0.42 1.13 -0.36 4.02 2.43 -1.03 -1.82 114.38 119.17 3kvg h ARG 316 Ca -0.48 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.65 3kvg h ARG 316 Cb 1.21 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 3kvg h ARG 316 CO 0.62 0.75 0.17 0.00 -1.51 0.00 0.00 179.97 179.99 3kvg h ALA 317 N 1.31 0.43 -0.25 2.80 0.00 -1.95 0.31 119.26 121.92 3kvg h ALA 317 Ca 0.31 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kvg h ALA 317 Cb -0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kvg h ALA 317 CO -0.07 -0.21 0.16 -0.09 0.00 0.00 0.00 179.25 179.04 3kvg h ARG 318 N 0.35 0.33 -0.21 0.00 2.43 -1.87 0.04 114.38 115.44 3kvg h ARG 318 Ca 0.15 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3kvg h ARG 318 Cb 0.08 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3kvg h ARG 318 CO -0.12 0.23 0.12 0.35 -1.51 0.00 0.00 179.97 179.05 3kvg h PHE 319 N 0.33 0.23 -0.87 2.20 3.57 -0.98 -0.57 116.94 120.83 3kvg h PHE 319 Ca 0.09 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3kvg h PHE 319 Cb -0.02 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 3kvg h PHE 319 CO -0.06 0.14 0.56 0.93 -2.23 0.00 0.00 178.31 177.65 3kvg h GLU 320 N 0.25 1.02 -0.05 1.11 5.08 -0.73 -2.44 114.58 118.83 3kvg h GLU 320 Ca 0.08 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 3kvg h GLU 320 Cb -0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3kvg h GLU 320 CO -0.04 0.67 -0.58 0.93 -1.00 0.00 0.00 179.01 178.99 3kvg h GLU 321 N 1.05 0.16 0.00 2.33 5.08 -0.64 -1.27 114.58 121.29 3kvg h GLU 321 Ca 0.36 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3kvg h GLU 321 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kvg h GLU 321 CO -0.14 0.69 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.14 3kvg h LEU 322 N 0.12 0.00 -3.10 1.33 3.38 -0.65 -3.16 115.31 113.23 3kvg h LEU 322 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kvg h LEU 322 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3kvg h LEU 322 CO 0.09 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3kvg h ALA 324 N 0.84 0.32 -0.79 0.00 0.00 -1.19 0.08 119.26 118.52 3kvg h ALA 324 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kvg h ALA 324 Cb 1.14 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 3kvg h ALA 324 CO 0.09 -0.45 0.52 0.38 0.00 0.00 0.00 179.25 179.79 3kvg h ASP 325 N -0.02 0.92 -0.30 0.00 2.03 -1.88 -0.49 116.42 116.67 3kvg h ASP 325 Ca 0.26 -0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 56.51 3kvg h ASP 325 Cb 0.41 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.67 3kvg h ASP 325 CO -0.56 0.67 0.12 1.88 -1.03 0.00 0.00 179.24 180.31 3kvg h TYR 326 N 1.08 0.46 -0.17 4.15 0.05 -1.66 -1.85 116.97 119.03 3kvg h TYR 326 Ca 0.29 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.95 3kvg h TYR 326 Cb -0.11 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 3kvg h TYR 326 CO -0.02 0.46 -0.27 0.74 -1.05 0.00 0.00 178.16 178.02 3kvg h PHE 327 N 0.34 0.36 0.00 4.88 0.05 -0.77 -2.91 116.94 118.89 3kvg h PHE 327 Ca 0.10 -0.07 -0.09 0.00 3.82 0.00 0.00 57.97 61.72 3kvg h PHE 327 Cb 0.19 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 3kvg h PHE 327 CO -0.00 0.57 -0.45 0.00 -0.18 0.00 0.00 178.31 178.25 3kvg h ARG 328 N 0.29 0.00 0.00 1.51 3.08 -0.93 -3.17 114.38 115.15 3kvg h ARG 328 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kvg h ARG 328 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3kvg h ARG 328 CO 0.05 0.45 0.00 0.00 -1.07 0.00 0.00 179.97 179.39 3kvg n ALA 329 N -2.25 2.12 0.23 0.04 0.00 -0.71 -3.78 120.51 116.17 3kvg n ALA 329 Ca 0.01 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.50 3kvg n ALA 329 Cb 0.64 -1.42 0.56 0.00 0.00 0.00 0.00 19.45 19.24 3kvg n ALA 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kvg h THR 330 N 0.00 0.72 0.00 0.00 1.03 -1.52 -3.26 112.91 109.87 3kvg h THR 330 Ca 0.00 -0.89 -0.15 0.00 -0.01 0.00 0.00 66.41 65.36 3kvg h THR 330 Cb 0.50 1.56 -0.03 0.00 -1.07 0.00 0.00 68.15 69.11 3kvg h THR 330 CO 0.00 0.21 -1.20 -0.07 -0.01 0.00 0.00 175.52 174.45 3kvg h LEU 331 N 0.00 0.00 0.03 0.00 3.38 -1.79 -3.39 115.31 113.54 3kvg h LEU 331 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kvg h LEU 331 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3kvg h LEU 331 CO 0.03 0.57 -0.04 0.00 0.09 0.00 0.00 178.44 179.08 3kvg h ALA 332 N 1.43 -0.07 0.00 1.53 0.00 -1.78 -2.30 119.26 118.07 3kvg h ALA 332 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kvg h ALA 332 Cb 1.54 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3kvg h ALA 332 CO 0.05 -0.55 -0.03 -1.35 0.00 0.00 0.00 179.25 177.37 3kvg h PRO 333 N -0.09 0.00 -0.05 0.00 0.11 -1.76 -1.40 132.00 128.81 3kvg h PRO 333 Ca 0.01 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3kvg h PRO 333 Cb 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3kvg h PRO 333 CO -0.02 0.03 -0.08 0.28 -0.21 0.00 0.00 178.00 178.00 3kvg h VAL 334 N 0.00 1.41 -0.82 3.15 2.07 -1.64 -2.43 116.25 117.99 3kvg h VAL 334 Ca -0.00 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 3kvg h VAL 334 Cb 0.17 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3kvg h VAL 334 CO 0.00 0.36 0.41 -0.33 0.02 0.00 0.00 177.57 178.03 3kvg h GLU 335 N -0.35 1.16 -0.66 1.57 5.08 -0.88 -2.96 114.58 117.54 3kvg h GLU 335 Ca 0.00 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3kvg h GLU 335 Cb 0.63 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3kvg h GLU 335 CO 0.02 0.88 0.40 -0.22 -1.00 0.00 0.00 179.01 179.08 3kvg h LYS 336 N 1.15 0.90 -0.20 2.33 1.63 -1.27 -1.16 116.57 119.95 3kvg h LYS 336 Ca 0.28 -0.08 -0.18 0.00 -0.85 0.00 0.00 60.65 59.82 3kvg h LYS 336 Cb 0.09 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3kvg h LYS 336 CO -0.04 0.65 -0.61 -0.39 -3.45 0.00 0.00 179.45 175.61 3kvg h VAL 337 N 0.90 1.31 -0.46 2.00 -1.51 -1.36 -1.10 116.25 116.03 3kvg h VAL 337 Ca 0.24 -1.84 -0.04 0.00 -1.23 0.00 0.00 66.70 63.83 3kvg h VAL 337 Cb -0.02 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 3kvg h VAL 337 CO -0.04 0.58 0.14 -0.07 -1.23 0.00 0.00 177.57 176.95 3kvg h LEU 338 N 0.50 0.67 0.33 4.19 3.38 -1.43 -2.63 115.31 120.33 3kvg h LEU 338 Ca -0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3kvg h LEU 338 Cb 1.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3kvg h LEU 338 CO 0.12 0.70 -0.16 0.50 0.09 0.00 0.00 178.44 179.69 3kvg h LYS 339 N 0.60 -0.43 -0.93 1.13 3.64 -1.17 0.29 116.57 119.70 3kvg h LYS 339 Ca 0.15 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.74 3kvg h LYS 339 Cb 0.27 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 3kvg h LYS 339 CO -0.00 -0.21 0.60 -0.44 -2.27 0.00 0.00 179.45 177.13 3kvg h ASP 340 N -0.58 0.60 0.17 4.20 3.32 -1.18 0.62 116.42 123.56 3kvg h ASP 340 Ca -0.05 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kvg h ASP 340 Cb 0.43 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3kvg h ASP 340 CO 0.08 0.26 -0.21 0.00 -1.72 0.00 0.00 179.24 177.64 3kvg n ALA 341 N -2.44 2.99 -3.37 3.45 0.00 -1.00 -4.97 120.51 115.18 3kvg n ALA 341 Ca 0.20 -0.43 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 3kvg n ALA 341 Cb 0.58 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 1.31 -0.68 3.18 0.00 0.00 0.21 -5.03 105.19 104.19 3kvg n GLY 342 Ca 0.13 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 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 -5.01 1.15 0.22 1.61 0.00 0.92 -5.02 119.30 113.17 3kvg s MET 343 Ca 0.19 -0.80 -0.11 0.00 0.00 0.00 0.00 55.69 54.96 3kvg s MET 343 Cb -0.03 -1.20 -0.07 0.00 0.00 0.00 0.00 34.83 33.53 3kvg s MET 343 CO 0.74 0.31 0.56 0.34 0.00 0.00 0.00 175.02 176.97 3kvg s ASP 344 N -1.05 6.68 0.49 1.11 2.15 -1.26 -4.32 116.67 120.47 3kvg s ASP 344 Ca 0.04 0.99 0.15 0.00 0.43 0.00 0.00 52.55 54.16 3kvg s ASP 344 Cb -0.08 -2.25 1.16 0.00 -0.30 0.00 0.00 42.92 41.45 3kvg s ASP 344 CO 0.01 -0.04 2.09 0.07 -0.17 0.00 0.00 175.17 177.13 3kvg h LYS 345 N 2.76 0.17 0.00 4.34 2.10 -1.98 -1.47 116.57 122.50 3kvg h LYS 345 Ca -0.47 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3kvg h LYS 345 Cb 1.18 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3kvg h LYS 345 CO 0.68 0.11 0.00 0.54 -2.00 0.00 0.00 179.45 178.78 3kvg n ARG 346 N -4.50 0.16 0.10 0.07 3.00 -1.26 -2.41 116.66 111.82 3kvg n ARG 346 Ca 0.01 0.45 0.13 0.00 -0.01 0.00 0.00 57.85 58.43 3kvg n ARG 346 Cb 0.18 -1.85 0.29 0.00 0.00 0.00 0.00 32.46 31.08 3kvg n ARG 346 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3kvg h SER 347 N 0.00 0.00 -2.91 0.55 0.02 -1.66 -3.46 113.55 106.09 3kvg h SER 347 Ca 0.00 -0.08 -0.56 0.00 -0.84 0.00 0.00 61.79 60.32 3kvg h SER 347 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3kvg h SER 347 CO 0.00 0.04 0.87 -0.69 -1.14 0.00 0.00 176.83 175.91 3kvg s VAL 348 N -3.14 4.08 -0.01 2.27 1.01 -1.01 -4.57 120.40 119.03 3kvg s VAL 348 Ca 0.08 1.36 0.05 0.00 0.00 0.00 0.00 61.98 63.47 3kvg s VAL 348 Cb 0.12 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.38 3kvg s VAL 348 CO 0.65 -0.07 0.80 0.45 0.00 0.00 0.00 175.10 176.93 3kvg h HIS 349 N 8.15 0.19 -3.54 5.22 -0.00 -1.16 -3.47 115.15 120.54 3kvg h HIS 349 Ca -0.32 -0.14 -0.34 0.00 -0.00 0.00 0.00 60.37 59.57 3kvg h HIS 349 Cb 1.14 -0.01 -0.33 0.00 -0.00 0.00 0.00 27.41 28.21 3kvg h HIS 349 CO 0.79 1.20 -0.75 -0.51 -0.00 0.00 0.00 177.93 178.66 3kvg s ASP 350 N -6.57 0.45 -0.28 2.45 1.01 -1.06 -5.05 116.67 107.63 3kvg s ASP 350 Ca -0.07 -0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.10 3kvg s ASP 350 Cb 0.08 -0.21 0.02 0.00 1.01 0.00 0.00 42.92 43.81 3kvg s ASP 350 CO 0.83 -0.07 0.03 -0.69 0.21 0.00 0.00 175.17 175.47 3kvg s VAL 351 N 0.84 3.55 -0.21 -1.27 1.01 -1.26 -0.73 120.40 122.33 3kvg s VAL 351 Ca -0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3kvg s VAL 351 Cb -0.12 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3kvg s VAL 351 CO -0.01 0.12 0.05 -0.69 0.00 0.00 0.00 175.10 174.57 3kvg s VAL 352 N 1.43 4.43 -0.33 2.92 1.01 0.57 -0.20 120.40 130.24 3kvg s VAL 352 Ca 0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 3kvg s VAL 352 Cb -0.17 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 3kvg s VAL 352 CO -0.00 0.40 0.65 -0.76 0.00 0.00 0.00 175.10 175.39 3kvg s LEU 353 N 1.04 4.18 0.08 3.92 1.43 -0.75 -0.83 118.68 127.74 3kvg s LEU 353 Ca 0.04 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.52 3kvg s LEU 353 Cb -0.14 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 3kvg s LEU 353 CO 0.03 -0.54 -0.15 -0.69 0.23 0.00 0.00 176.35 175.22 3kvg s VAL 354 N 2.70 1.19 0.00 -1.59 1.01 -0.53 -4.62 120.40 118.56 3kvg s VAL 354 Ca 0.26 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.89 3kvg s VAL 354 Cb -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3kvg s VAL 354 CO 0.13 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3kvg n GLY 355 N 1.24 0.28 0.40 4.51 0.00 0.46 -1.63 105.19 110.46 3kvg n GLY 355 Ca -0.21 -1.40 0.20 0.00 0.00 0.00 0.00 46.02 44.61 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 0.66 2.00 -0.02 0.00 -1.78 -1.70 103.07 102.23 3kvg h GLY 356 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3kvg h GLY 356 CO 0.00 0.01 0.00 1.44 0.00 0.00 0.00 176.54 177.99 3kvg n SER 357 N -4.46 0.00 0.00 0.19 7.64 -0.70 -2.54 113.62 113.75 3kvg n SER 357 Ca 0.17 0.50 0.14 0.00 1.01 0.00 0.00 58.87 60.69 3kvg n SER 357 Cb 0.69 -0.50 0.80 0.00 -1.01 0.00 0.00 64.21 64.19 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 -1.50 0.03 0.65 0.44 -2.24 -0.64 -2.61 114.28 108.41 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 0.21 -0.56 0.45 0.00 -2.10 0.00 0.00 70.33 68.33 3kvg n THR 358 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kvg n ARG 359 N -1.08 0.20 -2.08 -0.78 1.74 -1.05 -4.56 116.66 109.04 3kvg n ARG 359 Ca 0.19 0.22 -0.43 0.00 -0.77 0.00 0.00 57.85 57.06 3kvg n ARG 359 Cb 0.13 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 3kvg n ARG 359 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kvg s ILE 360 N -3.12 3.68 0.29 0.55 1.01 -1.07 -4.80 121.20 117.73 3kvg s ILE 360 Ca 0.10 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.57 3kvg s ILE 360 Cb 0.13 -3.62 0.28 0.00 0.01 0.00 0.00 42.46 39.25 3kvg s ILE 360 CO 0.54 -0.20 1.73 -0.65 0.00 0.00 0.00 174.94 176.35 3kvg h PRO 361 N 10.29 0.51 -0.80 2.79 0.11 -1.87 -1.87 132.00 141.15 3kvg h PRO 361 Ca -0.35 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3kvg h PRO 361 Cb 1.16 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3kvg h PRO 361 CO 0.98 0.33 0.47 -0.22 -0.21 0.00 0.00 178.00 179.36 3kvg h LYS 362 N 0.52 1.09 -0.57 1.05 1.63 -1.97 -0.22 116.57 118.10 3kvg h LYS 362 Ca 0.54 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 60.21 3kvg h LYS 362 Cb 0.94 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 3kvg h LYS 362 CO -0.46 0.78 0.25 0.28 -3.45 0.00 0.00 179.45 176.85 3kvg h VAL 363 N 1.10 1.22 -0.37 2.00 2.07 -1.71 -1.64 116.25 118.91 3kvg h VAL 363 Ca 0.29 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3kvg h VAL 363 Cb -0.02 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3kvg h VAL 363 CO -0.05 0.25 0.12 1.56 0.02 0.00 0.00 177.57 179.47 3kvg h GLN 364 N 0.78 0.58 -0.78 1.57 4.20 -0.97 -2.56 115.11 117.93 3kvg h GLN 364 Ca 0.19 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3kvg h GLN 364 Cb 0.16 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3kvg h GLN 364 CO -0.02 0.59 0.35 0.00 -0.67 0.00 0.00 178.83 179.08 3kvg h ALA 365 N 0.96 1.01 -0.42 3.87 0.00 -0.90 -1.88 119.26 121.90 3kvg h ALA 365 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3kvg h ALA 365 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kvg h ALA 365 CO -0.00 0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 179.76 3kvg h LEU 366 N 1.11 0.74 -0.47 0.00 3.38 -1.23 -0.83 115.31 118.01 3kvg h LEU 366 Ca 0.27 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3kvg h LEU 366 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3kvg h LEU 366 CO -0.03 0.87 -0.36 -0.29 0.09 0.00 0.00 178.44 178.72 3kvg h ILE 367 N 0.59 1.28 -0.32 1.22 6.09 -1.36 -1.94 117.51 123.06 3kvg h ILE 367 Ca 0.12 -1.53 -0.17 0.00 -1.37 0.00 0.00 64.86 61.90 3kvg h ILE 367 Cb 0.50 1.38 -0.00 0.00 0.47 0.00 0.00 36.82 39.16 3kvg h ILE 367 CO 0.02 0.51 -0.47 -0.61 -3.07 0.00 0.00 178.15 174.53 3kvg h GLN 368 N 0.72 0.86 -0.43 2.19 4.15 -1.34 -2.33 115.11 118.92 3kvg h GLN 368 Ca 0.06 -0.50 -0.02 0.00 0.77 0.00 0.00 58.65 58.97 3kvg h GLN 368 Cb 0.94 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 3kvg h GLN 368 CO 0.09 1.14 0.20 1.49 -1.93 0.00 0.00 178.83 179.81 3kvg h GLU 369 N 0.68 0.63 -0.99 1.69 4.81 -1.14 0.17 114.58 120.44 3kvg h GLU 369 Ca 0.04 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3kvg h GLU 369 Cb 1.06 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.27 3kvg h GLU 369 CO 0.11 0.56 0.65 0.35 -0.73 0.00 0.00 179.01 179.94 3kvg h PHE 370 N 0.56 1.21 -0.29 0.92 3.04 -1.27 -1.51 116.94 119.60 3kvg h PHE 370 Ca 0.15 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 3kvg h PHE 370 Cb 0.14 -0.40 -0.02 0.00 2.56 0.00 0.00 35.95 38.23 3kvg h PHE 370 CO -0.01 0.69 0.04 1.19 -2.02 0.00 0.00 178.31 178.20 3kvg n PHE 371 N -4.46 1.03 -3.90 0.41 3.72 -0.89 -4.92 117.46 108.46 3kvg n PHE 371 Ca 0.14 -0.45 -0.26 0.00 -0.05 0.00 0.00 57.45 56.83 3kvg n PHE 371 Cb 0.11 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 3kvg n PHE 371 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3kvg n ASN 372 N 0.21 -1.54 0.00 4.37 3.02 -0.57 -2.57 115.26 118.18 3kvg n ASN 372 Ca 0.15 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3kvg n ASN 372 Cb 0.74 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.45 3kvg n ASN 372 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kvg n GLY 373 N -1.75 0.74 3.71 7.41 0.00 0.56 -5.02 105.19 110.84 3kvg n GLY 373 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.22 4.18 -0.02 1.61 2.20 -1.06 -4.96 119.74 121.47 3kvg s LYS 374 Ca 0.00 2.45 -0.30 0.00 -0.36 0.00 0.00 55.97 57.76 3kvg s LYS 374 Cb 0.00 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 3kvg s LYS 374 CO 0.00 -0.70 1.29 -2.00 -0.36 0.00 0.00 175.35 173.59 3kvg s GLU 375 N 1.61 4.32 0.78 4.03 2.56 -1.26 -4.76 118.70 125.98 3kvg s GLU 375 Ca 0.73 1.81 -0.10 0.00 0.00 0.00 0.00 54.97 57.41 3kvg s GLU 375 Cb -0.45 -3.55 0.08 0.00 2.00 0.00 0.00 34.13 32.21 3kvg s GLU 375 CO 0.32 -0.50 1.13 -1.25 -0.56 0.00 0.00 175.26 174.41 3kvg s PRO 376 N 2.24 1.96 -0.51 4.30 0.04 -1.26 -4.79 135.00 136.98 3kvg s PRO 376 Ca 0.60 -0.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.32 3kvg s PRO 376 Cb -0.28 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.27 3kvg s PRO 376 CO 0.24 -1.53 0.99 0.00 0.04 0.00 0.00 177.00 176.74 3kvg n LYS 378 N 7.51 0.00 0.07 0.00 2.85 -1.26 -1.82 118.16 125.51 3kvg n LYS 378 Ca 0.06 -0.26 0.03 0.00 -1.05 0.00 0.00 58.31 57.09 3kvg n LYS 378 Cb 0.48 -0.42 0.41 0.00 -0.65 0.00 0.00 35.03 34.85 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 1.60 -2.68 0.58 0.00 -1.95 -3.41 119.26 113.39 3kvg h ALA 379 Ca 0.00 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.24 3kvg h ALA 379 Cb 0.81 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3kvg h ALA 379 CO 0.00 0.30 0.12 0.42 0.00 0.00 0.00 179.25 180.09 3kvg s ILE 380 N -5.08 4.80 -0.30 0.00 1.01 -1.26 -4.98 121.20 115.40 3kvg s ILE 380 Ca -0.07 1.53 -0.41 0.00 0.00 0.00 0.00 60.65 61.71 3kvg s ILE 380 Cb 0.16 -4.07 -0.16 0.00 0.01 0.00 0.00 42.46 38.40 3kvg s ILE 380 CO 0.73 0.36 1.71 0.59 0.00 0.00 0.00 174.94 178.33 3kvg n ASN 381 N 2.89 2.17 0.24 3.58 3.02 -1.26 -4.78 115.26 121.13 3kvg n ASN 381 Ca -0.03 1.09 0.13 0.00 -0.03 0.00 0.00 54.58 55.74 3kvg n ASN 381 Cb 0.50 -1.10 0.77 0.00 -0.61 0.00 0.00 39.78 39.35 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 6.77 0.00 -0.09 3.52 0.13 -1.85 -0.33 132.00 140.14 3kvg h PRO 382 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.96 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.33 3kvg n ASP 383 N -4.16 1.24 -0.00 1.44 5.75 -1.26 -0.40 116.55 119.16 3kvg n ASP 383 Ca -0.01 -1.57 0.01 0.00 -0.01 0.00 0.00 54.79 53.21 3kvg n ASP 383 Cb 0.17 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.02 1.67 -0.28 0.11 1.02 -0.21 -4.80 120.64 118.17 3kvg n GLU 384 Ca 0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3kvg n GLU 384 Cb 0.28 -0.94 0.13 0.00 -0.02 0.00 0.00 31.44 30.88 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 1.08 -0.38 0.62 0.00 -1.47 -0.32 119.26 119.05 3kvg h ALA 385 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kvg h ALA 385 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kvg h ALA 385 CO 0.00 0.17 0.08 0.28 0.00 0.00 0.00 179.25 179.78 3kvg h VAL 386 N 0.84 1.23 -0.64 0.00 2.07 -1.86 -0.48 116.25 117.42 3kvg h VAL 386 Ca 0.35 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3kvg h VAL 386 Cb 0.21 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3kvg h VAL 386 CO -0.19 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.78 3kvg h ALA 387 N 0.93 0.85 0.05 1.67 0.00 -1.80 0.16 119.26 121.11 3kvg h ALA 387 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kvg h ALA 387 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kvg h ALA 387 CO 0.00 0.61 -0.05 -0.92 0.00 0.00 0.00 179.25 178.90 3kvg h TYR 388 N 0.97 -0.13 -0.68 0.00 3.20 -0.88 -0.50 116.97 118.95 3kvg h TYR 388 Ca 0.19 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3kvg h TYR 388 Cb 0.44 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 3kvg h TYR 388 CO 0.03 -0.08 0.32 0.78 -1.64 0.00 0.00 178.16 177.57 3kvg h GLY 389 N -0.11 1.06 1.59 1.82 0.00 -0.89 -2.04 103.07 104.49 3kvg h GLY 389 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3kvg h GLY 389 CO -0.02 0.51 0.01 0.00 0.00 0.00 0.00 176.54 177.04 3kvg h ALA 390 N 1.15 1.41 -0.27 3.60 0.00 -0.76 -1.75 119.26 122.63 3kvg h ALA 390 Ca 0.23 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 3kvg h ALA 390 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kvg h ALA 390 CO -0.03 0.42 -0.55 0.00 0.00 0.00 0.00 179.25 179.10 3kvg h ALA 391 N 1.53 0.52 -0.08 0.00 0.00 -0.69 -0.04 119.26 120.50 3kvg h ALA 391 Ca 0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kvg h ALA 391 Cb 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kvg h ALA 391 CO 0.01 0.68 0.04 0.28 0.00 0.00 0.00 179.25 180.26 3kvg h VAL 392 N 0.62 1.11 -0.77 0.00 2.07 -1.13 -1.89 116.25 116.26 3kvg h VAL 392 Ca 0.01 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3kvg h VAL 392 Cb 1.14 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3kvg h VAL 392 CO 0.12 0.10 0.37 -0.61 0.02 0.00 0.00 177.57 177.56 3kvg h GLN 393 N 0.01 1.09 -0.75 1.57 5.75 -1.26 -2.40 115.11 119.12 3kvg h GLN 393 Ca 0.03 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3kvg h GLN 393 Cb 0.12 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 3kvg h GLN 393 CO -0.00 0.84 0.38 0.00 -2.65 0.00 0.00 178.83 177.39 3kvg h ALA 394 N 1.32 0.96 -0.44 3.38 0.00 -0.79 -1.15 119.26 122.54 3kvg h ALA 394 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kvg h ALA 394 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kvg h ALA 394 CO -0.03 0.51 0.19 0.00 0.00 0.00 0.00 179.25 179.92 3kvg h ALA 395 N 1.19 0.57 0.13 0.00 0.00 -1.07 0.52 119.26 120.60 3kvg h ALA 395 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kvg h ALA 395 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kvg h ALA 395 CO -0.04 0.15 -0.10 0.82 0.00 0.00 0.00 179.25 180.08 3kvg h ILE 396 N 0.57 0.77 0.00 0.00 1.08 -1.17 0.71 117.51 119.47 3kvg h ILE 396 Ca 0.15 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.58 3kvg h ILE 396 Cb 0.16 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 3kvg h ILE 396 CO -0.02 0.00 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.18 3kvg h LEU 397 N -0.24 0.00 0.00 1.44 3.38 -1.06 -2.11 115.31 116.72 3kvg h LEU 397 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kvg h LEU 397 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kvg h LEU 397 CO -0.01 0.20 -0.10 -1.13 0.09 0.00 0.00 178.44 177.49 3kvg h ASN 398 N 0.00 0.00 -0.44 -0.43 -1.24 -0.62 -3.48 115.58 109.37 3kvg h ASN 398 Ca -0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3kvg h ASN 398 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 3kvg h ASN 398 CO 0.03 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.79 3kvg n GLY 399 N 1.29 0.68 0.50 1.57 0.00 -0.79 -5.06 105.19 103.39 3kvg n GLY 399 Ca 0.05 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.45 3kvg n GLY 399 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50