#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbp s ASP 10 N 0.00 7.10 0.15 0.55 1.01 -1.26 -1.83 116.67 122.39 3kbp s ASP 10 Ca 0.00 1.88 -0.34 0.00 0.71 0.00 0.00 52.55 54.80 3kbp s ASP 10 Cb 0.00 -2.57 -0.15 0.00 1.01 0.00 0.00 42.92 41.21 3kbp s ASP 10 CO 0.00 -0.49 1.40 0.23 0.21 0.00 0.00 175.17 176.51 3kbp n MET 11 N 4.47 1.62 -0.90 8.23 2.81 -0.12 -4.87 117.12 128.36 3kbp n MET 11 Ca 0.09 0.58 -0.29 0.00 -1.81 0.00 0.00 57.70 56.28 3kbp n MET 11 Cb 0.47 -2.24 0.19 0.00 -0.71 0.00 0.00 33.22 30.93 3kbp n MET 11 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3kbp s PRO 12 N 0.31 0.21 0.39 0.03 0.04 -1.26 -4.93 135.00 129.78 3kbp s PRO 12 Ca 0.78 0.83 0.06 0.00 0.04 0.00 0.00 61.00 62.71 3kbp s PRO 12 Cb -0.80 -1.69 0.79 0.00 0.04 0.00 0.00 34.50 32.85 3kbp s PRO 12 CO 0.45 -2.96 2.01 -0.07 0.04 0.00 0.00 177.00 176.48 3kbp h LEU 13 N -2.07 0.48 -1.27 -3.56 3.38 -2.01 -2.40 115.31 107.86 3kbp h LEU 13 Ca -0.54 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 3kbp h LEU 13 Cb 1.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3kbp h LEU 13 CO 0.52 0.40 -0.24 -2.24 0.09 0.00 0.00 178.44 176.98 3kbp h ASP 14 N 0.55 0.00 -0.47 -0.43 2.03 -1.96 -3.44 116.42 112.69 3kbp h ASP 14 Ca 0.14 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 56.05 3kbp h ASP 14 Cb 0.04 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.55 3kbp h ASP 14 CO -0.02 0.24 0.16 -1.20 -1.03 0.00 0.00 179.24 177.39 3kbp n SER 15 N -3.50 0.26 -0.07 4.15 7.64 -0.90 -4.70 113.62 116.50 3kbp n SER 15 Ca -0.00 0.56 0.25 0.00 1.01 0.00 0.00 58.87 60.69 3kbp n SER 15 Cb 0.40 -0.43 0.67 0.00 -1.01 0.00 0.00 64.21 63.84 3kbp n SER 15 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3kbp h ASP 16 N 1.85 0.00 0.05 6.43 2.03 -1.90 0.22 116.42 125.10 3kbp h ASP 16 Ca -0.23 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.95 3kbp h ASP 16 Cb 0.66 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.15 3kbp h ASP 16 CO 0.38 0.00 -0.41 1.62 -1.03 0.00 0.00 179.24 179.80 3kbp h VAL 17 N 0.00 1.31 -0.14 4.15 3.04 -1.95 -3.11 116.25 119.55 3kbp h VAL 17 Ca 0.35 -1.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 3kbp h VAL 17 Cb 1.80 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.69 3kbp h VAL 17 CO -0.00 0.48 0.00 0.49 -1.01 0.00 0.00 177.57 177.53 3kbp n PHE 18 N -4.02 0.19 -1.98 3.17 3.72 0.76 -4.11 117.46 115.19 3kbp n PHE 18 Ca -0.02 -0.09 -0.40 0.00 -0.05 0.00 0.00 57.45 56.89 3kbp n PHE 18 Cb 0.51 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3kbp n PHE 18 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kbp s ARG 19 N -1.81 4.00 -0.19 -1.08 0.52 -1.18 -4.94 118.95 114.27 3kbp s ARG 19 Ca 0.16 2.27 -0.19 0.00 -0.52 0.00 0.00 55.73 57.45 3kbp s ARG 19 Cb 0.08 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3kbp s ARG 19 CO 0.11 -0.51 0.53 0.54 0.02 0.00 0.00 175.30 175.99 3kbp s VAL 20 N -1.21 5.11 0.15 3.52 0.11 -1.26 -5.01 120.40 121.81 3kbp s VAL 20 Ca 0.56 0.98 -0.34 0.00 -2.93 0.00 0.00 61.98 60.25 3kbp s VAL 20 Cb -0.41 -3.85 -0.15 0.00 -1.53 0.00 0.00 36.38 30.45 3kbp s VAL 20 CO 0.53 0.19 1.41 -0.81 -3.33 0.00 0.00 175.10 173.09 3kbp n PRO 21 N 4.66 1.68 -2.27 1.54 -0.04 -1.26 -4.89 135.00 134.42 3kbp n PRO 21 Ca -0.05 0.60 -0.37 0.00 -0.04 0.00 0.00 63.50 63.64 3kbp n PRO 21 Cb 0.50 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 3kbp n PRO 21 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kbp s PRO 22 N 0.35 3.85 0.00 0.54 0.04 -1.26 -4.75 135.00 133.77 3kbp s PRO 22 Ca 0.78 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3kbp s PRO 22 Cb -0.78 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3kbp s PRO 22 CO 0.45 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.42 3kbp n GLY 23 N 0.50 4.02 3.68 0.56 0.00 -1.26 -4.86 105.19 107.83 3kbp n GLY 23 Ca 0.06 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3kbp n GLY 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kbp s TYR 24 N -1.40 2.93 -1.12 1.61 5.04 -1.26 -2.98 117.35 120.17 3kbp s TYR 24 Ca 0.00 0.99 -0.07 0.00 -2.44 0.00 0.00 57.07 55.55 3kbp s TYR 24 Cb 0.00 -3.54 -0.04 0.00 0.35 0.00 0.00 41.96 38.73 3kbp s TYR 24 CO 0.00 -1.88 0.88 -1.71 -1.34 0.00 0.00 175.55 171.51 3kbp n ASN 25 N 5.74 -4.93 -4.61 4.32 4.05 -1.26 -3.45 115.26 115.11 3kbp n ASN 25 Ca 0.13 -0.76 -0.42 0.00 0.45 0.00 0.00 54.58 53.97 3kbp n ASN 25 Cb 0.45 -4.74 -0.04 0.00 1.23 0.00 0.00 39.78 36.68 3kbp n ASN 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kbp s ALA 26 N -3.43 3.48 -0.25 5.20 0.00 -1.16 -3.98 121.76 121.62 3kbp s ALA 26 Ca 0.33 -0.43 -0.36 0.00 0.00 0.00 0.00 51.96 51.49 3kbp s ALA 26 Cb -0.06 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3kbp s ALA 26 CO 0.77 -1.37 1.98 -0.35 0.00 0.00 0.00 175.76 176.79 3kbp n PRO 27 N 6.43 1.44 -4.31 0.00 -0.04 -1.26 -4.73 135.00 132.53 3kbp n PRO 27 Ca 0.05 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.71 3kbp n PRO 27 Cb 0.48 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 3kbp n PRO 27 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3kbp s GLN 28 N 4.86 2.20 -1.21 0.54 -2.07 0.38 -4.75 119.66 119.60 3kbp s GLN 28 Ca 1.01 -2.10 -0.00 0.00 -1.82 0.00 0.00 55.36 52.45 3kbp s GLN 28 Cb -0.86 -1.84 0.00 0.00 -1.09 0.00 0.00 33.01 29.22 3kbp s GLN 28 CO 0.54 -0.34 0.03 1.04 -1.32 0.00 0.00 175.29 175.25 3kbp n GLN 29 N -1.38 -2.23 -1.75 9.60 6.02 -1.26 -0.62 117.38 125.76 3kbp n GLN 29 Ca -0.08 0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 57.18 3kbp n GLN 29 Cb 0.65 -5.30 -0.01 0.00 1.02 0.00 0.00 30.24 26.60 3kbp n GLN 29 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3kbp n VAL 30 N -3.56 1.41 -3.64 5.09 0.31 -1.26 -4.47 118.33 112.21 3kbp n VAL 30 Ca -0.16 -0.35 -0.08 0.00 -0.01 0.00 0.00 64.34 63.74 3kbp n VAL 30 Cb 0.62 -1.94 -0.07 0.00 -0.91 0.00 0.00 33.84 31.55 3kbp n VAL 30 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3kbp s HIS 31 N -0.45 -0.79 0.36 3.52 -3.43 0.09 -4.02 115.29 110.56 3kbp s HIS 31 Ca 0.60 1.71 0.09 0.00 -0.80 0.00 0.00 55.06 56.65 3kbp s HIS 31 Cb -0.50 0.44 -0.06 0.00 -1.43 0.00 0.00 32.58 31.04 3kbp s HIS 31 CO 0.55 -0.39 0.01 0.96 -2.00 0.00 0.00 174.74 173.86 3kbp s ILE 32 N 1.04 2.41 0.24 -5.38 -4.36 -0.67 -1.38 121.20 113.10 3kbp s ILE 32 Ca -0.05 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.13 3kbp s ILE 32 Cb -0.05 -2.81 0.03 0.00 1.25 0.00 0.00 42.46 40.88 3kbp s ILE 32 CO -0.12 -0.15 0.68 -0.89 0.24 0.00 0.00 174.94 174.70 3kbp s THR 33 N -2.58 0.00 0.21 8.37 2.01 -1.06 -3.53 115.64 119.07 3kbp s THR 33 Ca 0.35 -0.70 -0.31 0.00 0.31 0.00 0.00 61.69 61.34 3kbp s THR 33 Cb 0.02 -1.69 -0.11 0.00 0.01 0.00 0.00 72.50 70.73 3kbp s THR 33 CO 0.19 -0.00 1.59 -1.58 -0.69 0.00 0.00 174.62 174.12 3kbp s GLN 34 N -3.87 4.19 0.00 4.92 0.74 -1.26 -0.24 119.66 124.14 3kbp s GLN 34 Ca 0.08 2.45 0.22 0.00 0.05 0.00 0.00 55.36 58.16 3kbp s GLN 34 Cb -0.04 -3.10 0.02 0.00 1.10 0.00 0.00 33.01 30.98 3kbp s GLN 34 CO 0.01 -0.61 1.06 0.41 -0.55 0.00 0.00 175.29 175.60 3kbp n GLY 35 N 3.25 -1.09 0.00 2.59 0.00 0.38 -4.19 105.19 106.13 3kbp n GLY 35 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3kbp n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kbp n ASP 36 N -1.55 0.52 0.05 1.61 5.68 -1.26 -4.71 116.55 116.89 3kbp n ASP 36 Ca 0.04 -0.67 -0.08 0.00 -0.50 0.00 0.00 54.79 53.58 3kbp n ASP 36 Cb 0.35 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.20 3kbp n ASP 36 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3kbp h LEU 37 N 0.00 0.02 -1.35 -2.12 5.85 -1.90 -3.39 115.31 112.42 3kbp h LEU 37 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kbp h LEU 37 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3kbp h LEU 37 CO 0.00 1.02 0.00 1.33 -0.34 0.00 0.00 178.44 180.45 3kbp n VAL 38 N -3.32 0.19 0.00 1.05 0.24 -1.26 -0.32 118.33 114.91 3kbp n VAL 38 Ca -0.03 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 3kbp n VAL 38 Cb 0.96 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 3kbp n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbp n GLY 39 N -0.09 1.61 2.58 7.63 0.00 -1.26 -4.63 105.19 111.03 3kbp n GLY 39 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3kbp n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kbp n ARG 40 N 0.00 2.81 -3.54 1.61 1.85 -1.26 -4.44 116.66 113.69 3kbp n ARG 40 Ca 0.00 -3.51 -0.17 0.00 -1.00 0.00 0.00 57.85 53.16 3kbp n ARG 40 Cb 0.00 -2.28 -0.06 0.00 -1.05 0.00 0.00 32.46 29.07 3kbp n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kbp s ALA 41 N -3.91 -1.75 0.04 2.89 0.00 -1.26 -1.40 121.76 116.37 3kbp s ALA 41 Ca 0.57 1.40 0.03 0.00 0.00 0.00 0.00 51.96 53.96 3kbp s ALA 41 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 3kbp s ALA 41 CO -0.20 -0.36 -0.09 -1.64 0.00 0.00 0.00 175.76 173.47 3kbp s MET 42 N -0.96 0.57 -0.25 0.00 -1.94 -0.30 -0.47 119.30 115.95 3kbp s MET 42 Ca -0.09 -0.76 -0.02 0.00 -1.71 0.00 0.00 55.69 53.10 3kbp s MET 42 Cb -0.01 -0.37 0.02 0.00 2.01 0.00 0.00 34.83 36.48 3kbp s MET 42 CO 0.09 0.07 -0.05 0.42 -0.01 0.00 0.00 175.02 175.54 3kbp s ILE 43 N -1.31 2.99 -0.16 2.53 1.01 0.67 -1.46 121.20 125.47 3kbp s ILE 43 Ca -0.08 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 3kbp s ILE 43 Cb -0.10 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 3kbp s ILE 43 CO 0.01 0.22 0.27 -0.63 0.00 0.00 0.00 174.94 174.81 3kbp s ILE 44 N 1.35 5.32 -0.02 2.92 -1.09 0.11 -2.55 121.20 127.24 3kbp s ILE 44 Ca 0.01 0.50 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 3kbp s ILE 44 Cb -0.16 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 3kbp s ILE 44 CO -0.04 0.41 -0.08 -0.44 -1.23 0.00 0.00 174.94 173.56 3kbp s SER 45 N 0.34 1.08 0.35 3.58 0.01 -0.48 -0.94 113.70 117.64 3kbp s SER 45 Ca 0.16 -0.16 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 3kbp s SER 45 Cb -0.13 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.87 3kbp s SER 45 CO 0.03 0.07 0.59 -1.66 0.41 0.00 0.00 173.24 172.68 3kbp s TRP 46 N 0.12 0.68 -0.01 2.43 -2.14 -0.50 -0.73 118.94 118.79 3kbp s TRP 46 Ca -0.02 -1.08 0.02 0.00 2.66 0.00 0.00 56.10 57.69 3kbp s TRP 46 Cb -0.07 0.26 -0.00 0.00 -3.10 0.00 0.00 33.47 30.56 3kbp s TRP 46 CO 0.00 -1.28 -0.08 0.08 -2.66 0.00 0.00 176.95 173.01 3kbp s VAL 47 N -2.85 0.64 -0.05 -0.66 1.01 0.21 -0.10 120.40 118.59 3kbp s VAL 47 Ca 0.25 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.96 3kbp s VAL 47 Cb -0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3kbp s VAL 47 CO 0.16 0.20 -0.20 0.42 0.00 0.00 0.00 175.10 175.68 3kbp s THR 48 N 0.03 2.53 -0.05 3.92 -4.23 -0.03 -0.47 115.64 117.34 3kbp s THR 48 Ca -0.00 -0.91 0.14 0.00 -1.18 0.00 0.00 61.69 59.74 3kbp s THR 48 Cb -0.06 -1.96 -0.21 0.00 1.34 0.00 0.00 72.50 71.61 3kbp s THR 48 CO -0.00 0.58 0.26 0.23 -0.54 0.00 0.00 174.62 175.14 3kbp n MET 49 N 2.64 0.75 -0.06 3.99 2.81 -1.26 0.10 117.12 126.09 3kbp n MET 49 Ca -0.17 -0.11 -0.14 0.00 -1.81 0.00 0.00 57.70 55.48 3kbp n MET 49 Cb 0.52 -1.35 -0.13 0.00 -0.71 0.00 0.00 33.22 31.55 3kbp n MET 49 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kbp h ASP 50 N 0.00 -0.00 -5.04 7.83 3.32 -1.95 -3.46 116.42 117.12 3kbp h ASP 50 Ca -0.08 -0.94 -0.05 0.00 0.02 0.00 0.00 57.03 55.98 3kbp h ASP 50 Cb 0.94 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 3kbp h ASP 50 CO 0.00 0.94 0.01 -1.83 -1.72 0.00 0.00 179.24 176.65 3kbp s GLU 51 N -2.46 1.07 0.07 3.56 -1.05 -1.26 -5.05 118.70 113.58 3kbp s GLU 51 Ca -0.19 -0.44 -0.13 0.00 -0.15 0.00 0.00 54.97 54.06 3kbp s GLU 51 Cb -0.02 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.12 3kbp s GLU 51 CO 0.69 -0.41 0.78 -2.30 0.95 0.00 0.00 175.26 174.96 3kbp n PRO 52 N 0.08 -0.19 0.00 -4.83 -0.02 -1.26 -4.84 135.00 123.94 3kbp n PRO 52 Ca -0.17 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kbp n PRO 52 Cb 0.62 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 3kbp n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kbp n GLY 53 N -1.11 -2.34 3.76 -1.23 0.00 -1.26 -4.79 105.19 98.23 3kbp n GLY 53 Ca 0.01 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 3kbp n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbp s SER 54 N -2.27 6.54 -0.13 1.61 0.15 -1.26 -4.97 113.70 113.36 3kbp s SER 54 Ca 0.00 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.34 3kbp s SER 54 Cb 0.00 -2.20 0.37 0.00 -1.71 0.00 0.00 66.02 62.48 3kbp s SER 54 CO 0.00 0.16 1.16 -1.20 1.20 0.00 0.00 173.24 174.56 3kbp n SER 55 N 3.11 3.25 -4.88 5.45 7.64 -1.26 -4.62 113.62 122.30 3kbp n SER 55 Ca -0.12 -2.51 -0.30 0.00 1.01 0.00 0.00 58.87 56.95 3kbp n SER 55 Cb 0.52 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 3kbp n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 56 N -1.75 3.38 -0.05 -0.43 0.00 -1.26 0.08 121.76 121.73 3kbp s ALA 56 Ca 0.26 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3kbp s ALA 56 Cb 0.20 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.68 3kbp s ALA 56 CO 0.07 -0.01 -0.07 0.08 0.00 0.00 0.00 175.76 175.82 3kbp s VAL 57 N -2.37 0.74 -0.18 0.00 1.01 0.10 -4.45 120.40 115.26 3kbp s VAL 57 Ca 0.50 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 3kbp s VAL 57 Cb -0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3kbp s VAL 57 CO 0.32 0.26 0.06 -0.60 0.00 0.00 0.00 175.10 175.15 3kbp s ARG 58 N 0.68 3.95 0.08 2.72 3.52 -0.61 -0.82 118.95 128.47 3kbp s ARG 58 Ca -0.11 -0.34 -0.09 0.00 -0.13 0.00 0.00 55.73 55.06 3kbp s ARG 58 Cb -0.14 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3kbp s ARG 58 CO 0.01 0.29 0.20 1.52 -0.81 0.00 0.00 175.30 176.51 3kbp s TYR 59 N 0.31 0.12 0.01 5.12 1.13 -0.12 0.67 117.35 124.59 3kbp s TYR 59 Ca 0.03 -0.50 -0.28 0.00 -1.41 0.00 0.00 57.07 54.92 3kbp s TYR 59 Cb -0.12 -0.04 0.10 0.00 -1.10 0.00 0.00 41.96 40.79 3kbp s TYR 59 CO 0.00 -0.52 0.82 1.67 -2.51 0.00 0.00 175.55 175.01 3kbp s TRP 60 N -3.55 -0.42 0.37 -3.49 -2.14 -0.13 -0.09 118.94 109.49 3kbp s TRP 60 Ca 0.03 0.37 -0.08 0.00 2.66 0.00 0.00 56.10 59.08 3kbp s TRP 60 Cb 0.03 0.52 -0.06 0.00 -3.10 0.00 0.00 33.47 30.87 3kbp s TRP 60 CO -0.09 -0.59 0.69 -1.54 -2.66 0.00 0.00 176.95 172.75 3kbp s SER 61 N -2.25 6.46 0.12 -2.66 1.04 -1.20 -0.49 113.70 114.72 3kbp s SER 61 Ca 0.02 0.95 -0.22 0.00 0.48 0.00 0.00 55.95 57.18 3kbp s SER 61 Cb -0.01 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 3kbp s SER 61 CO -0.07 -0.34 1.69 -0.08 0.98 0.00 0.00 173.24 175.41 3kbp h GLU 62 N 1.28 -0.11 0.00 4.02 4.81 -1.84 -3.20 114.58 119.53 3kbp h GLU 62 Ca -0.47 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kbp h GLU 62 Cb 1.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3kbp h GLU 62 CO 0.64 -0.07 0.00 0.36 -0.73 0.00 0.00 179.01 179.21 3kbp n LYS 63 N -5.24 0.00 -2.88 1.92 2.85 -1.26 -4.16 118.16 109.39 3kbp n LYS 63 Ca -0.03 0.34 -0.43 0.00 -1.05 0.00 0.00 58.31 57.13 3kbp n LYS 63 Cb 0.16 -1.33 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 3kbp n LYS 63 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3kbp s ASN 64 N -2.01 6.56 0.00 -5.58 3.84 -1.24 -4.90 114.94 111.61 3kbp s ASN 64 Ca 0.00 -1.85 0.00 0.00 0.21 0.00 0.00 52.86 51.22 3kbp s ASN 64 Cb 0.00 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 3kbp s ASN 64 CO 0.00 -1.16 0.44 0.61 -2.79 0.00 0.00 177.10 174.20 3kbp n GLY 65 N 5.64 0.85 3.60 1.21 0.00 -1.21 -3.22 105.19 112.05 3kbp n GLY 65 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3kbp n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbp s ARG 66 N 0.68 3.54 0.00 1.61 3.52 -1.26 -4.91 118.95 122.13 3kbp s ARG 66 Ca 0.00 0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 56.16 3kbp s ARG 66 Cb 0.00 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 3kbp s ARG 66 CO 0.00 -1.61 1.07 0.15 -0.81 0.00 0.00 175.30 174.10 3kbp s LYS 67 N 5.00 4.49 0.31 5.12 1.02 -1.26 -4.53 119.74 129.88 3kbp s LYS 67 Ca 0.60 1.54 0.10 0.00 0.02 0.00 0.00 55.97 58.23 3kbp s LYS 67 Cb -0.13 -3.44 -0.06 0.00 -0.52 0.00 0.00 37.83 33.68 3kbp s LYS 67 CO 0.32 -0.17 -0.12 1.03 -0.92 0.00 0.00 175.35 175.48 3kbp s ARG 68 N 1.23 1.70 -0.05 1.68 0.52 0.87 -4.95 118.95 119.95 3kbp s ARG 68 Ca 0.54 -1.84 0.04 0.00 -0.52 0.00 0.00 55.73 53.95 3kbp s ARG 68 Cb -0.24 -1.59 0.00 0.00 0.52 0.00 0.00 34.95 33.64 3kbp s ARG 68 CO 0.27 0.18 -0.17 0.42 0.02 0.00 0.00 175.30 176.02 3kbp s ILE 69 N -2.67 1.45 -0.05 1.52 1.01 -1.26 -0.94 121.20 120.25 3kbp s ILE 69 Ca 0.31 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3kbp s ILE 69 Cb 0.00 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 3kbp s ILE 69 CO 0.15 0.42 -0.20 0.00 0.00 0.00 0.00 174.94 175.31 3kbp s ALA 70 N 0.18 2.42 -0.12 9.38 0.00 -0.00 -4.93 121.76 128.69 3kbp s ALA 70 Ca -0.07 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 3kbp s ALA 70 Cb -0.13 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3kbp s ALA 70 CO 0.03 0.50 -0.03 0.21 0.00 0.00 0.00 175.76 176.47 3kbp s LYS 71 N -0.50 3.31 0.00 0.00 2.36 -1.26 0.03 119.74 123.68 3kbp s LYS 71 Ca 0.06 -0.50 0.00 0.00 -2.55 0.00 0.00 55.97 52.99 3kbp s LYS 71 Cb -0.11 -2.82 0.00 0.00 -1.05 0.00 0.00 37.83 33.85 3kbp s LYS 71 CO 0.01 0.45 0.00 0.41 1.55 0.00 0.00 175.35 177.77 3kbp n GLY 72 N 2.91 3.69 3.08 5.54 0.00 0.11 -4.65 105.19 115.87 3kbp n GLY 72 Ca -0.18 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 3kbp n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kbp s LYS 73 N 2.83 0.58 0.00 1.61 2.36 -0.91 -4.85 119.74 121.37 3kbp s LYS 73 Ca 0.00 -0.81 0.07 0.00 -2.55 0.00 0.00 55.97 52.69 3kbp s LYS 73 Cb 0.00 -0.36 -0.03 0.00 -1.05 0.00 0.00 37.83 36.39 3kbp s LYS 73 CO 0.00 0.06 -0.22 1.41 1.55 0.00 0.00 175.35 178.15 3kbp s MET 74 N -1.69 2.09 0.18 4.03 -2.45 -1.26 -1.84 119.30 118.37 3kbp s MET 74 Ca -0.08 -0.95 -0.06 0.00 -1.25 0.00 0.00 55.69 53.36 3kbp s MET 74 Cb -0.09 -2.12 -0.02 0.00 1.25 0.00 0.00 34.83 33.84 3kbp s MET 74 CO 0.00 0.56 0.22 -1.54 1.05 0.00 0.00 175.02 175.31 3kbp s SER 75 N -0.97 0.11 0.06 1.11 1.04 0.15 -4.95 113.70 110.25 3kbp s SER 75 Ca 0.12 -1.10 -0.12 0.00 0.48 0.00 0.00 55.95 55.33 3kbp s SER 75 Cb -0.10 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.44 3kbp s SER 75 CO 0.01 -0.88 0.26 0.42 0.98 0.00 0.00 173.24 174.03 3kbp s THR 76 N -4.05 0.10 0.08 2.02 -4.23 -1.26 -0.58 115.64 107.73 3kbp s THR 76 Ca 0.26 -0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 59.87 3kbp s THR 76 Cb 0.05 -1.07 -0.02 0.00 1.34 0.00 0.00 72.50 72.80 3kbp s THR 76 CO 0.05 -0.47 0.10 -0.72 -0.54 0.00 0.00 174.62 173.04 3kbp s TYR 77 N -3.05 0.40 -0.00 3.99 1.13 -1.26 -5.01 117.35 113.55 3kbp s TYR 77 Ca -0.01 -0.87 0.07 0.00 -1.41 0.00 0.00 57.07 54.84 3kbp s TYR 77 Cb 0.01 -0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 3kbp s TYR 77 CO -0.06 -0.49 -0.20 1.03 -2.51 0.00 0.00 175.55 173.31 3kbp s ARG 78 N -3.92 2.18 0.00 -3.49 0.52 -1.26 -1.03 118.95 111.95 3kbp s ARG 78 Ca 0.09 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3kbp s ARG 78 Cb 0.06 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.35 3kbp s ARG 78 CO -0.08 0.57 0.00 0.34 0.02 0.00 0.00 175.30 176.15 3kbp n PHE 79 N 2.07 0.00 0.00 -0.53 7.35 -0.98 -4.98 117.46 120.39 3kbp n PHE 79 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 3kbp n PHE 79 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 3kbp n PHE 79 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3kbp n PHE 80 N -1.61 0.00 -0.68 -5.13 7.35 -1.26 -4.80 117.46 111.34 3kbp n PHE 80 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 3kbp n PHE 80 Cb 0.00 0.00 0.36 0.00 0.35 0.00 0.00 39.48 40.19 3kbp n PHE 80 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3kbp n ASN 81 N -0.31 4.89 -4.93 -2.13 6.94 -1.26 -4.93 115.26 113.53 3kbp n ASN 81 Ca 0.00 -2.54 -0.25 0.00 -0.02 0.00 0.00 54.58 51.78 3kbp n ASN 81 Cb 0.00 -0.59 -0.01 0.00 -2.36 0.00 0.00 39.78 36.81 3kbp n ASN 81 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3kbp s TYR 82 N -2.01 3.50 -0.21 -2.53 5.04 -1.26 -5.11 117.35 114.77 3kbp s TYR 82 Ca 0.51 0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 55.51 3kbp s TYR 82 Cb 0.34 -1.94 0.10 0.00 0.35 0.00 0.00 41.96 40.82 3kbp s TYR 82 CO 0.23 0.12 0.36 -1.12 -1.34 0.00 0.00 175.55 173.80 3kbp s SER 83 N -3.90 0.14 1.10 4.32 0.01 -1.26 -2.32 113.70 111.80 3kbp s SER 83 Ca 0.41 0.55 -0.12 0.00 1.31 0.00 0.00 55.95 58.09 3kbp s SER 83 Cb -0.10 1.09 0.25 0.00 0.21 0.00 0.00 66.02 67.47 3kbp s SER 83 CO 0.36 -0.27 1.06 -0.94 0.41 0.00 0.00 173.24 173.86 3kbp s SER 84 N 2.54 1.46 0.00 2.44 1.04 -0.20 -5.01 113.70 115.97 3kbp s SER 84 Ca 0.05 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.14 3kbp s SER 84 Cb -0.14 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3kbp s SER 84 CO -0.13 -3.93 0.00 0.61 0.98 0.00 0.00 173.24 170.77 3kbp n GLY 85 N 0.59 0.41 3.56 7.32 0.00 -1.26 -4.80 105.19 111.01 3kbp n GLY 85 Ca 0.05 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3kbp n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kbp s PHE 86 N 0.71 3.20 0.03 1.61 0.08 0.12 -4.64 117.98 119.08 3kbp s PHE 86 Ca 0.00 0.12 -0.19 0.00 0.12 0.00 0.00 56.93 56.98 3kbp s PHE 86 Cb 0.00 -2.80 -0.06 0.00 -0.57 0.00 0.00 43.02 39.59 3kbp s PHE 86 CO 0.00 -0.48 0.53 0.42 -0.10 0.00 0.00 175.22 175.60 3kbp s ILE 87 N 2.23 4.87 0.03 0.64 1.01 0.25 -0.85 121.20 129.37 3kbp s ILE 87 Ca 0.16 1.13 0.05 0.00 0.00 0.00 0.00 60.65 61.99 3kbp s ILE 87 Cb -0.16 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 3kbp s ILE 87 CO 0.12 0.51 -0.16 -1.00 0.00 0.00 0.00 174.94 174.42 3kbp s HIS 88 N -0.78 1.42 -0.14 3.97 3.76 0.85 -0.67 115.29 123.69 3kbp s HIS 88 Ca 0.28 -0.33 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 3kbp s HIS 88 Cb -0.18 -0.86 0.06 0.00 1.11 0.00 0.00 32.58 32.71 3kbp s HIS 88 CO 0.17 0.04 0.11 -1.01 -0.85 0.00 0.00 174.74 173.20 3kbp s HIS 89 N -0.71 0.06 0.07 1.40 3.76 -0.77 -1.40 115.29 117.70 3kbp s HIS 89 Ca 0.04 -0.02 0.08 0.00 -0.15 0.00 0.00 55.06 55.01 3kbp s HIS 89 Cb -0.08 -0.56 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 3kbp s HIS 89 CO 0.01 -0.44 -0.23 0.99 -0.85 0.00 0.00 174.74 174.23 3kbp s THR 90 N 2.19 1.84 -0.23 1.30 2.01 -0.11 -2.15 115.64 120.49 3kbp s THR 90 Ca 0.03 -1.39 0.02 0.00 0.31 0.00 0.00 61.69 60.66 3kbp s THR 90 Cb -0.15 -1.62 0.04 0.00 0.01 0.00 0.00 72.50 70.79 3kbp s THR 90 CO -0.08 0.15 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.97 3kbp s THR 91 N -0.93 2.21 0.07 -0.82 2.01 -1.26 0.07 115.64 116.99 3kbp s THR 91 Ca 0.09 -1.30 -0.21 0.00 0.31 0.00 0.00 61.69 60.57 3kbp s THR 91 Cb -0.09 -2.14 -0.07 0.00 0.01 0.00 0.00 72.50 70.21 3kbp s THR 91 CO 0.03 0.21 0.62 -0.63 -0.69 0.00 0.00 174.62 174.17 3kbp s ILE 92 N 1.20 4.71 0.29 1.82 1.01 -0.54 -4.89 121.20 124.81 3kbp s ILE 92 Ca -0.03 1.33 0.04 0.00 0.00 0.00 0.00 60.65 61.99 3kbp s ILE 92 Cb -0.17 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3kbp s ILE 92 CO -0.08 0.51 0.19 0.00 0.00 0.00 0.00 174.94 175.56 3kbp s ARG 93 N -0.83 1.57 -1.35 2.79 1.70 -1.26 -1.15 118.95 120.42 3kbp s ARG 93 Ca 0.31 -1.89 -0.08 0.00 -0.47 0.00 0.00 55.73 53.60 3kbp s ARG 93 Cb -0.20 0.11 0.01 0.00 -0.57 0.00 0.00 34.95 34.30 3kbp s ARG 93 CO 0.20 -0.50 1.16 1.63 -1.08 0.00 0.00 175.30 176.70 3kbp n LYS 94 N -0.53 -7.73 -1.78 3.89 4.76 -0.49 -4.94 118.16 111.33 3kbp n LYS 94 Ca 0.03 0.82 -0.30 0.00 -2.87 0.00 0.00 58.31 55.99 3kbp n LYS 94 Cb 0.64 -5.87 0.05 0.00 -1.84 0.00 0.00 35.03 28.02 3kbp n LYS 94 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kbp s LEU 95 N -7.21 2.86 0.20 -0.35 1.43 -0.81 -5.04 118.68 109.77 3kbp s LEU 95 Ca 0.52 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 3kbp s LEU 95 Cb -0.23 -4.01 -0.07 0.00 0.03 0.00 0.00 46.19 41.91 3kbp s LEU 95 CO 0.73 -1.47 0.54 -0.54 0.23 0.00 0.00 176.35 175.84 3kbp s LYS 96 N -5.27 3.84 0.56 1.70 1.02 -1.26 -4.76 119.74 115.56 3kbp s LYS 96 Ca 0.59 0.31 -0.18 0.00 0.02 0.00 0.00 55.97 56.71 3kbp s LYS 96 Cb -0.12 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.41 3kbp s LYS 96 CO 0.53 0.36 1.07 0.71 -0.92 0.00 0.00 175.35 177.10 3kbp s TYR 97 N -1.72 2.90 -0.78 3.18 2.02 -1.26 -4.08 117.35 117.61 3kbp s TYR 97 Ca 0.45 1.54 -0.01 0.00 -0.37 0.00 0.00 57.07 58.67 3kbp s TYR 97 Cb -0.12 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 3kbp s TYR 97 CO 0.21 -1.16 0.64 -1.71 -1.57 0.00 0.00 175.55 171.96 3kbp n ASN 98 N -1.61 -5.94 -3.73 2.29 5.15 0.20 -4.94 115.26 106.69 3kbp n ASN 98 Ca 0.10 -0.61 -0.12 0.00 -0.60 0.00 0.00 54.58 53.34 3kbp n ASN 98 Cb 0.52 -2.99 -0.11 0.00 -0.53 0.00 0.00 39.78 36.68 3kbp n ASN 98 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kbp s THR 99 N -2.94 -0.01 0.18 -0.44 2.01 -1.21 -4.88 115.64 108.35 3kbp s THR 99 Ca 0.02 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 3kbp s THR 99 Cb -0.00 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.89 3kbp s THR 99 CO 0.84 0.02 1.04 -0.75 -0.69 0.00 0.00 174.62 175.08 3kbp s LYS 100 N 0.73 4.67 0.05 4.92 2.20 -1.26 -1.05 119.74 130.00 3kbp s LYS 100 Ca -0.04 1.62 0.07 0.00 -0.36 0.00 0.00 55.97 57.25 3kbp s LYS 100 Cb -0.05 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 3kbp s LYS 100 CO -0.05 0.20 -0.19 0.71 -0.36 0.00 0.00 175.35 175.66 3kbp s TYR 101 N -0.44 1.66 -0.08 4.03 2.02 0.19 -2.33 117.35 122.39 3kbp s TYR 101 Ca 0.47 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.82 3kbp s TYR 101 Cb -0.28 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3kbp s TYR 101 CO 0.34 0.09 -0.16 0.71 -1.57 0.00 0.00 175.55 174.96 3kbp s TYR 102 N -0.85 2.69 -0.00 2.71 2.02 0.35 -1.44 117.35 122.83 3kbp s TYR 102 Ca 0.06 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3kbp s TYR 102 Cb -0.09 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.76 3kbp s TYR 102 CO 0.02 -0.05 -0.03 1.52 -1.57 0.00 0.00 175.55 175.44 3kbp s TYR 103 N -0.19 0.24 0.06 2.71 -0.85 0.36 -0.95 117.35 118.73 3kbp s TYR 103 Ca -0.01 -0.05 0.08 0.00 -0.52 0.00 0.00 57.07 56.58 3kbp s TYR 103 Cb -0.13 -0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.02 3kbp s TYR 103 CO 0.03 -0.01 -0.20 -1.21 -1.52 0.00 0.00 175.55 172.65 3kbp s GLU 104 N -0.07 1.95 -0.00 -3.49 2.02 0.21 0.02 118.70 119.33 3kbp s GLU 104 Ca 0.01 -1.05 -0.00 0.00 0.02 0.00 0.00 54.97 53.94 3kbp s GLU 104 Cb -0.01 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.09 3kbp s GLU 104 CO -0.00 0.52 0.00 0.54 0.02 0.00 0.00 175.26 176.34 3kbp s VAL 105 N -0.96 -0.01 0.00 2.63 0.11 -0.04 -1.57 120.40 120.57 3kbp s VAL 105 Ca 0.15 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 3kbp s VAL 105 Cb -0.10 -0.02 0.00 0.00 -1.53 0.00 0.00 36.38 34.73 3kbp s VAL 105 CO 0.06 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 3kbp n GLY 106 N 3.25 0.62 0.28 6.54 0.00 -1.26 -1.25 105.19 113.37 3kbp n GLY 106 Ca -0.14 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.73 3kbp n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kbp h LEU 107 N 0.00 0.48 -0.15 0.99 3.38 -1.84 -2.51 115.31 115.66 3kbp h LEU 107 Ca 0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3kbp h LEU 107 Cb 0.29 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kbp h LEU 107 CO 0.00 0.50 -0.10 0.03 0.09 0.00 0.00 178.44 178.96 3kbp h ARG 108 N 0.51 0.33 0.00 1.13 3.08 -1.95 -3.46 114.38 114.03 3kbp h ARG 108 Ca 0.12 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kbp h ARG 108 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kbp h ARG 108 CO -0.00 0.68 0.00 0.09 -1.07 0.00 0.00 179.97 179.67 3kbp n ASN 109 N -4.61 0.00 -4.28 7.04 4.13 -1.21 -5.00 115.26 111.33 3kbp n ASN 109 Ca -0.06 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.82 3kbp n ASN 109 Cb 0.32 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.44 3kbp n ASN 109 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3kbp s THR 110 N 0.00 3.85 0.17 3.41 -4.23 -1.22 -5.01 115.64 112.60 3kbp s THR 110 Ca 0.00 -1.14 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 3kbp s THR 110 Cb 0.00 -3.19 -0.07 0.00 1.34 0.00 0.00 72.50 70.57 3kbp s THR 110 CO 0.00 -0.21 0.94 -0.89 -0.54 0.00 0.00 174.62 173.92 3kbp s THR 111 N 1.41 4.32 -0.04 3.99 2.01 -0.95 -4.29 115.64 122.09 3kbp s THR 111 Ca -0.01 2.05 0.05 0.00 0.31 0.00 0.00 61.69 64.09 3kbp s THR 111 Cb -0.20 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 3kbp s THR 111 CO 0.03 0.41 -0.21 -0.13 -0.69 0.00 0.00 174.62 174.03 3kbp s ARG 112 N -0.57 2.02 -0.02 4.92 0.52 -0.38 -4.93 118.95 120.52 3kbp s ARG 112 Ca 0.44 -0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3kbp s ARG 112 Cb -0.24 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 3kbp s ARG 112 CO 0.30 0.34 0.05 0.50 0.02 0.00 0.00 175.30 176.52 3kbp s ARG 113 N -0.16 2.99 0.33 3.54 3.52 -1.26 -0.86 118.95 127.04 3kbp s ARG 113 Ca -0.01 -0.50 -0.02 0.00 -0.13 0.00 0.00 55.73 55.07 3kbp s ARG 113 Cb -0.11 -2.81 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 3kbp s ARG 113 CO 0.02 0.65 0.43 -0.06 -0.81 0.00 0.00 175.30 175.53 3kbp s PHE 114 N -1.12 1.09 -0.02 5.12 0.08 0.10 -4.99 117.98 118.24 3kbp s PHE 114 Ca 0.21 -1.29 -0.17 0.00 0.12 0.00 0.00 56.93 55.79 3kbp s PHE 114 Cb -0.12 -0.16 0.03 0.00 -0.57 0.00 0.00 43.02 42.20 3kbp s PHE 114 CO 0.11 -1.07 0.37 -1.54 -0.10 0.00 0.00 175.22 173.00 3kbp s SER 115 N -3.23 -0.26 0.09 1.36 1.04 -1.26 -0.49 113.70 110.95 3kbp s SER 115 Ca 0.31 0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.84 3kbp s SER 115 Cb 0.00 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 3kbp s SER 115 CO 0.20 -0.48 0.18 0.72 0.98 0.00 0.00 173.24 174.83 3kbp s PHE 116 N -1.37 0.19 -0.15 5.02 -0.12 -0.52 -4.41 117.98 116.61 3kbp s PHE 116 Ca -0.13 -0.62 0.02 0.00 -0.05 0.00 0.00 56.93 56.15 3kbp s PHE 116 Cb -0.04 -0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.28 3kbp s PHE 116 CO 0.05 -0.54 -0.20 0.42 -0.05 0.00 0.00 175.22 174.90 3kbp s ILE 117 N -3.87 1.96 0.61 -4.49 1.01 -1.26 0.52 121.20 115.68 3kbp s ILE 117 Ca 0.06 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 3kbp s ILE 117 Cb 0.05 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3kbp s ILE 117 CO -0.10 0.53 1.33 0.35 0.00 0.00 0.00 174.94 177.04 3kbp n THR 118 N 4.31 4.50 -2.18 2.92 -2.24 -0.21 -4.79 114.28 116.58 3kbp n THR 118 Ca -0.20 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 60.81 3kbp n THR 118 Cb 0.51 -1.58 0.14 0.00 -2.10 0.00 0.00 70.33 67.31 3kbp n THR 118 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kbp s PRO 119 N -3.17 1.23 0.77 -0.78 0.04 -1.26 -2.55 135.00 129.28 3kbp s PRO 119 Ca 0.78 -0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.11 3kbp s PRO 119 Cb -0.40 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.15 3kbp s PRO 119 CO 0.44 -1.92 1.08 -1.25 0.04 0.00 0.00 177.00 175.39 3kbp s PRO 120 N -5.55 2.28 0.36 0.56 0.04 -1.26 -0.63 135.00 130.80 3kbp s PRO 120 Ca 0.69 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 3kbp s PRO 120 Cb -0.05 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3kbp s PRO 120 CO 0.49 -1.59 1.34 -1.14 0.04 0.00 0.00 177.00 176.14 3kbp s GLN 121 N -4.96 4.20 0.08 4.56 0.74 -1.26 -4.00 119.66 119.02 3kbp s GLN 121 Ca 0.61 2.28 -0.37 0.00 0.05 0.00 0.00 55.36 57.93 3kbp s GLN 121 Cb -0.16 -2.97 -0.18 0.00 1.10 0.00 0.00 33.01 30.80 3kbp s GLN 121 CO 0.56 -0.34 1.20 2.41 -0.55 0.00 0.00 175.29 178.56 3kbp n THR 122 N 0.55 0.20 -3.44 -0.34 -1.04 -1.26 -4.76 114.28 104.20 3kbp n THR 122 Ca 0.01 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.85 3kbp n THR 122 Cb 0.42 -0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 68.37 3kbp n THR 122 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3kbp s GLY 123 N 0.20 -0.60 0.09 3.41 0.00 -1.04 -5.00 107.32 104.38 3kbp s GLY 123 Ca 0.84 0.50 -0.22 0.00 0.00 0.00 0.00 44.72 45.85 3kbp s GLY 123 CO 0.51 0.18 1.67 -2.00 0.00 0.00 0.00 173.10 173.46 3kbp h LEU 124 N 2.08 0.12 -3.33 0.66 5.85 -1.79 -3.21 115.31 115.69 3kbp h LEU 124 Ca -0.34 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 3kbp h LEU 124 Cb 1.30 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 3kbp h LEU 124 CO 0.39 0.18 -0.02 0.47 -0.34 0.00 0.00 178.44 179.12 3kbp n ASP 125 N -4.97 3.04 -4.61 1.25 8.00 -1.26 -3.86 116.55 114.13 3kbp n ASP 125 Ca -0.05 -3.47 -0.43 0.00 0.71 0.00 0.00 54.79 51.55 3kbp n ASP 125 Cb 0.08 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 3kbp n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kbp s VAL 126 N -3.08 4.24 0.70 2.53 1.01 -1.21 -4.77 120.40 119.81 3kbp s VAL 126 Ca 0.44 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.63 3kbp s VAL 126 Cb 0.38 -4.49 0.01 0.00 0.00 0.00 0.00 36.38 32.28 3kbp s VAL 126 CO 0.04 -0.82 1.06 -2.16 0.00 0.00 0.00 175.10 173.21 3kbp s PRO 127 N 4.29 2.94 -0.18 2.72 0.04 -1.26 -3.58 135.00 139.97 3kbp s PRO 127 Ca 0.49 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 3kbp s PRO 127 Cb -0.10 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.59 3kbp s PRO 127 CO 0.27 -1.07 1.13 -0.47 0.04 0.00 0.00 177.00 176.90 3kbp s TYR 128 N -3.10 -0.22 -0.10 0.56 5.04 -1.10 -4.87 117.35 113.57 3kbp s TYR 128 Ca 0.58 0.28 -0.00 0.00 -2.44 0.00 0.00 57.07 55.48 3kbp s TYR 128 Cb -0.13 0.49 0.02 0.00 0.35 0.00 0.00 41.96 42.69 3kbp s TYR 128 CO 0.55 -0.26 -0.07 -0.08 -1.34 0.00 0.00 175.55 174.35 3kbp s THR 129 N -1.76 0.93 -0.03 4.34 -1.32 -1.26 -0.77 115.64 115.76 3kbp s THR 129 Ca 0.05 -0.24 -0.03 0.00 -1.21 0.00 0.00 61.69 60.26 3kbp s THR 129 Cb -0.01 -0.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 3kbp s THR 129 CO -0.04 0.35 0.15 -0.36 -2.21 0.00 0.00 174.62 172.50 3kbp s PHE 130 N 1.63 3.49 0.03 9.09 0.08 -0.81 -0.86 117.98 130.62 3kbp s PHE 130 Ca 0.03 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.42 3kbp s PHE 130 Cb -0.13 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3kbp s PHE 130 CO -0.06 0.64 0.17 0.20 -0.10 0.00 0.00 175.22 176.06 3kbp s GLY 131 N -1.70 2.14 -0.18 4.36 0.00 0.49 -0.52 107.32 111.91 3kbp s GLY 131 Ca 0.24 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.12 3kbp s GLY 131 CO 0.15 -0.77 -0.16 1.08 0.00 0.00 0.00 173.10 173.39 3kbp s LEU 132 N -2.21 2.34 -0.01 0.66 1.02 0.62 0.12 118.68 121.23 3kbp s LEU 132 Ca 0.30 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.91 3kbp s LEU 132 Cb -0.13 -1.54 -0.00 0.00 0.02 0.00 0.00 46.19 44.54 3kbp s LEU 132 CO 0.22 0.02 -0.06 -0.63 0.02 0.00 0.00 176.35 175.93 3kbp s ILE 133 N 1.17 0.47 -0.13 -0.59 1.01 -0.99 -0.74 121.20 121.40 3kbp s ILE 133 Ca 0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 3kbp s ILE 133 Cb -0.14 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 41.96 3kbp s ILE 133 CO -0.07 0.14 0.41 -0.83 0.00 0.00 0.00 174.94 174.59 3kbp s GLY 134 N -0.04 -0.30 -0.82 6.18 0.00 -1.23 -1.88 107.32 109.23 3kbp s GLY 134 Ca 0.01 1.07 -0.05 0.00 0.00 0.00 0.00 44.72 45.76 3kbp s GLY 134 CO -0.00 0.90 0.62 1.22 0.00 0.00 0.00 173.10 175.83 3kbp n ASP 135 N 2.57 -4.50 0.42 1.64 9.92 -0.00 -2.82 116.55 123.78 3kbp n ASP 135 Ca -0.15 -0.28 -0.20 0.00 -0.53 0.00 0.00 54.79 53.64 3kbp n ASP 135 Cb 0.57 -3.14 -0.10 0.00 -0.64 0.00 0.00 41.12 37.81 3kbp n ASP 135 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3kbp h LEU 136 N -1.41 -1.27 0.00 0.64 5.85 -1.76 -0.88 115.31 116.47 3kbp h LEU 136 Ca -0.33 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3kbp h LEU 136 Cb 1.22 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.62 3kbp h LEU 136 CO 0.33 -0.75 0.00 0.61 -0.34 0.00 0.00 178.44 178.29 3kbp n GLY 137 N -1.62 -0.53 2.80 3.75 0.00 -0.78 -1.56 105.19 107.25 3kbp n GLY 137 Ca -0.15 -1.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 3kbp n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbp n GLN 138 N -0.50 1.67 -2.37 1.61 10.64 -1.24 -4.83 117.38 122.36 3kbp n GLN 138 Ca 0.00 -3.48 -0.25 0.00 -1.83 0.00 0.00 57.00 51.44 3kbp n GLN 138 Cb 0.00 -1.56 0.10 0.00 -0.86 0.00 0.00 30.24 27.92 3kbp n GLN 138 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3kbp s SER 139 N -3.70 4.35 0.38 2.61 1.04 -1.16 -0.95 113.70 116.27 3kbp s SER 139 Ca 0.27 0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.77 3kbp s SER 139 Cb 0.34 -0.46 0.74 0.00 0.10 0.00 0.00 66.02 66.74 3kbp s SER 139 CO -0.03 -1.87 1.98 -0.26 0.98 0.00 0.00 173.24 174.04 3kbp h PHE 140 N -0.68 0.54 -0.48 5.02 0.04 -1.70 -1.60 116.94 118.07 3kbp h PHE 140 Ca -0.41 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.40 3kbp h PHE 140 Cb 1.28 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 39.21 3kbp h PHE 140 CO -0.17 0.42 0.22 -0.44 -0.60 0.00 0.00 178.31 177.75 3kbp h ASP 141 N 0.54 0.29 -0.83 2.17 3.32 -1.90 0.15 116.42 120.16 3kbp h ASP 141 Ca 0.13 0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.34 3kbp h ASP 141 Cb 0.11 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.57 3kbp h ASP 141 CO -0.01 0.20 0.45 0.28 -1.72 0.00 0.00 179.24 178.44 3kbp h SER 142 N 0.43 0.61 -0.33 6.45 0.02 -1.40 0.21 113.55 119.54 3kbp h SER 142 Ca 0.22 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.27 3kbp h SER 142 Cb 0.16 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3kbp h SER 142 CO -0.18 0.31 0.12 -1.13 -1.14 0.00 0.00 176.83 174.82 3kbp h ASN 143 N 0.71 0.15 -0.27 3.07 -1.24 -0.47 -0.42 115.58 117.11 3kbp h ASN 143 Ca 0.42 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.49 3kbp h ASN 143 Cb 0.49 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 3kbp h ASN 143 CO -0.30 0.12 0.10 0.74 -1.29 0.00 0.00 177.43 176.80 3kbp h THR 144 N 0.27 0.94 0.28 -3.57 2.02 0.45 -1.53 112.91 111.77 3kbp h THR 144 Ca 0.14 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3kbp h THR 144 Cb 0.10 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3kbp h THR 144 CO -0.14 0.04 -0.27 0.74 0.37 0.00 0.00 175.52 176.26 3kbp h THR 145 N 0.23 0.42 -1.00 3.16 2.02 -0.42 0.12 112.91 117.44 3kbp h THR 145 Ca 0.12 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.55 3kbp h THR 145 Cb 0.08 0.42 -0.13 0.00 -1.74 0.00 0.00 68.15 66.78 3kbp h THR 145 CO -0.11 0.00 0.58 0.25 0.37 0.00 0.00 175.52 176.60 3kbp h LEU 146 N -0.58 0.64 -0.24 2.58 5.85 -0.65 0.36 115.31 123.26 3kbp h LEU 146 Ca -0.01 0.14 -0.21 0.00 0.84 0.00 0.00 57.88 58.64 3kbp h LEU 146 Cb 0.53 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3kbp h LEU 146 CO -0.05 0.07 -0.85 0.77 -0.34 0.00 0.00 178.44 178.04 3kbp h SER 147 N 0.55 0.60 -0.87 1.25 4.64 -0.23 -0.65 113.55 118.84 3kbp h SER 147 Ca 0.65 -0.44 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3kbp h SER 147 Cb 1.25 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 3kbp h SER 147 CO -0.49 1.21 0.52 0.45 -0.87 0.00 0.00 176.83 177.65 3kbp h HIS 148 N 0.30 1.15 -0.41 4.77 3.86 0.22 -0.78 115.15 124.26 3kbp h HIS 148 Ca -0.06 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.03 3kbp h HIS 148 Cb 1.46 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 3kbp h HIS 148 CO 0.06 0.77 -0.18 -0.92 0.86 0.00 0.00 177.93 178.52 3kbp h TYR 149 N 1.20 0.89 0.00 2.45 3.20 -0.54 -0.73 116.97 123.43 3kbp h TYR 149 Ca 0.31 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3kbp h TYR 149 Cb -0.04 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 3kbp h TYR 149 CO 0.00 0.91 -0.00 0.93 -1.64 0.00 0.00 178.16 178.36 3kbp h GLU 150 N 0.70 0.00 0.00 1.82 5.08 0.27 -3.02 114.58 119.43 3kbp h GLU 150 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kbp h GLU 150 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3kbp h GLU 150 CO 0.05 0.00 -0.83 1.28 -1.00 0.00 0.00 179.01 178.52 3kbp n LEU 151 N -3.14 0.22 -4.74 1.33 4.77 -0.60 -5.00 117.00 109.84 3kbp n LEU 151 Ca -0.02 -0.28 -0.66 0.00 -0.03 0.00 0.00 56.01 55.01 3kbp n LEU 151 Cb 0.11 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 3kbp n LEU 151 CO 0.22 0.06 1.16 -1.20 -1.33 0.00 0.00 177.39 176.29 3kbp n SER 152 N -1.46 1.37 -0.23 -1.43 7.64 -0.35 -4.78 113.62 114.38 3kbp n SER 152 Ca 0.00 1.17 0.04 0.00 1.01 0.00 0.00 58.87 61.09 3kbp n SER 152 Cb 0.17 -0.92 0.15 0.00 -1.01 0.00 0.00 64.21 62.60 3kbp n SER 152 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kbp h PRO 153 N 5.30 0.22 -6.24 1.43 0.13 -1.91 -3.26 132.00 127.67 3kbp h PRO 153 Ca -0.45 -0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 3kbp h PRO 153 Cb 1.36 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 3kbp h PRO 153 CO 0.97 0.15 0.95 -1.59 -0.23 0.00 0.00 178.00 178.24 3kbp s LYS 154 N -6.08 4.08 -0.15 0.86 0.00 -1.26 -4.94 119.74 112.24 3kbp s LYS 154 Ca -0.13 1.52 -0.18 0.00 0.00 0.00 0.00 55.97 57.18 3kbp s LYS 154 Cb 0.20 -3.83 -0.04 0.00 0.00 0.00 0.00 37.83 34.16 3kbp s LYS 154 CO 0.75 -0.91 0.49 -1.59 0.00 0.00 0.00 175.35 174.09 3kbp s LYS 155 N 3.85 4.28 0.61 1.78 0.00 -1.23 -5.03 119.74 124.01 3kbp s LYS 155 Ca 0.57 0.43 -0.17 0.00 0.00 0.00 0.00 55.97 56.80 3kbp s LYS 155 Cb -0.20 -3.48 -0.02 0.00 0.00 0.00 0.00 37.83 34.12 3kbp s LYS 155 CO 0.19 0.04 1.16 0.20 0.00 0.00 0.00 175.35 176.95 3kbp s GLY 156 N 0.82 2.51 -0.00 0.59 0.00 -1.26 -4.79 107.32 105.18 3kbp s GLY 156 Ca 0.25 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.80 3kbp s GLY 156 CO 0.10 1.19 0.02 -1.06 0.00 0.00 0.00 173.10 173.36 3kbp n GLN 157 N -1.87 6.32 -3.62 2.90 6.02 -0.04 -4.97 117.38 122.12 3kbp n GLN 157 Ca 0.12 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 3kbp n GLN 157 Cb 0.51 -0.56 -0.07 0.00 1.02 0.00 0.00 30.24 31.14 3kbp n GLN 157 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3kbp s THR 158 N -1.13 0.00 -0.20 5.09 2.01 -1.25 -4.55 115.64 115.62 3kbp s THR 158 Ca 0.00 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 3kbp s THR 158 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3kbp s THR 158 CO 0.02 0.00 0.04 -0.69 -0.69 0.00 0.00 174.62 173.30 3kbp s VAL 159 N 0.14 4.38 -0.28 3.82 1.01 -0.79 -0.38 120.40 128.29 3kbp s VAL 159 Ca -0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3kbp s VAL 159 Cb -0.04 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 3kbp s VAL 159 CO 0.00 0.42 0.54 -0.76 0.00 0.00 0.00 175.10 175.30 3kbp s LEU 160 N 0.85 4.11 -0.36 3.92 1.43 0.12 -0.73 118.68 128.02 3kbp s LEU 160 Ca 0.02 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.43 3kbp s LEU 160 Cb -0.14 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.41 3kbp s LEU 160 CO 0.02 -0.36 0.21 0.12 0.23 0.00 0.00 176.35 176.58 3kbp s PHE 161 N 2.39 3.22 -0.99 0.29 2.19 -0.30 -2.33 117.98 122.45 3kbp s PHE 161 Ca 0.22 -0.67 0.02 0.00 0.33 0.00 0.00 56.93 56.83 3kbp s PHE 161 Cb -0.15 -2.45 0.12 0.00 -1.31 0.00 0.00 43.02 39.22 3kbp s PHE 161 CO 0.10 -0.54 0.71 1.55 1.83 0.00 0.00 175.22 178.88 3kbp n VAL 162 N 5.04 0.37 0.00 3.12 3.14 -0.79 -2.41 118.33 126.81 3kbp n VAL 162 Ca -0.12 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 3kbp n VAL 162 Cb 0.48 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 3kbp n VAL 162 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kbp n GLY 163 N 0.14 2.43 2.68 7.55 0.00 -1.14 -4.12 105.19 112.73 3kbp n GLY 163 Ca 0.04 -1.94 -0.00 0.00 0.00 0.00 0.00 46.02 44.12 3kbp n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kbp n ASP 164 N 0.00 -7.60 -0.06 1.61 9.92 -1.26 -0.82 116.55 118.34 3kbp n ASP 164 Ca 0.00 1.40 -0.21 0.00 -0.53 0.00 0.00 54.79 55.45 3kbp n ASP 164 Cb 0.00 -5.22 -0.13 0.00 -0.64 0.00 0.00 41.12 35.13 3kbp n ASP 164 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3kbp h LEU 165 N 3.00 0.15 0.00 0.64 4.07 -1.93 -3.09 115.31 118.16 3kbp h LEU 165 Ca -0.02 -0.69 0.00 0.00 0.08 0.00 0.00 57.88 57.25 3kbp h LEU 165 Cb 0.05 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3kbp h LEU 165 CO 0.09 1.57 -0.00 -1.54 -1.08 0.00 0.00 178.44 177.48 3kbp n SER 166 N -4.15 0.02 -2.19 -0.43 3.41 -1.26 -1.86 113.62 107.15 3kbp n SER 166 Ca -0.30 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.05 3kbp n SER 166 Cb 0.79 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 3kbp n SER 166 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kbp n TYR 167 N -0.14 -0.81 0.24 7.33 4.02 -1.26 -4.50 117.16 122.05 3kbp n TYR 167 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 3kbp n TYR 167 Cb 0.00 -3.68 0.59 0.00 -0.02 0.00 0.00 39.34 36.23 3kbp n TYR 167 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kbp h ALA 168 N 0.77 1.78 0.00 -0.72 0.00 -1.89 -1.07 119.26 118.13 3kbp h ALA 168 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kbp h ALA 168 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kbp h ALA 168 CO 0.56 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.54 3kbp n ASP 169 N -4.35 0.00 0.05 0.00 5.75 -1.26 -1.15 116.55 115.59 3kbp n ASP 169 Ca -0.03 -0.47 0.01 0.00 -0.01 0.00 0.00 54.79 54.29 3kbp n ASP 169 Cb 0.18 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 3kbp n ASP 169 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3kbp h ARG 170 N 0.00 0.00 -7.37 0.11 3.08 -1.56 -3.43 114.38 105.21 3kbp h ARG 170 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3kbp h ARG 170 Cb 0.00 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.18 3kbp h ARG 170 CO 0.00 0.28 0.30 0.71 -1.07 0.00 0.00 179.97 180.20 3kbp s TYR 171 N -2.97 2.63 0.15 3.04 1.51 -0.30 -4.96 117.35 116.44 3kbp s TYR 171 Ca -0.02 1.22 -0.30 0.00 -1.01 0.00 0.00 57.07 56.96 3kbp s TYR 171 Cb 0.09 -3.12 -0.07 0.00 -0.11 0.00 0.00 41.96 38.74 3kbp s TYR 171 CO 0.80 -2.00 1.18 -1.25 -1.11 0.00 0.00 175.55 173.17 3kbp s PRO 172 N -5.05 4.50 -1.73 -1.71 0.04 -1.26 -2.43 135.00 127.35 3kbp s PRO 172 Ca 0.62 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3kbp s PRO 172 Cb -0.16 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3kbp s PRO 172 CO 0.55 -0.10 0.00 0.09 0.04 0.00 0.00 177.00 177.58 3kbp n ASN 173 N 2.87 -5.38 -2.33 6.66 5.03 -1.26 -1.17 115.26 119.69 3kbp n ASN 173 Ca 0.05 0.14 -0.12 0.00 0.87 0.00 0.00 54.58 55.52 3kbp n ASN 173 Cb 0.45 -4.47 -0.01 0.00 -1.02 0.00 0.00 39.78 34.73 3kbp n ASN 173 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kbp n HIS 174 N -3.52 -1.33 0.00 3.10 8.25 -1.02 -4.27 115.22 116.43 3kbp n HIS 174 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 3kbp n HIS 174 Cb 0.65 -2.65 0.00 0.00 1.12 0.00 0.00 29.99 29.11 3kbp n HIS 174 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kbp n ASP 175 N -1.64 0.00 0.00 0.41 -0.08 -0.32 -4.51 116.55 110.42 3kbp n ASP 175 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 3kbp n ASP 175 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 3kbp n ASP 175 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3kbp n ASN 176 N 0.00 0.00 -0.28 1.67 5.03 -1.26 -0.64 115.26 119.79 3kbp n ASN 176 Ca 0.00 0.12 -0.06 0.00 0.87 0.00 0.00 54.58 55.51 3kbp n ASN 176 Cb 0.00 -0.12 0.06 0.00 -1.02 0.00 0.00 39.78 38.70 3kbp n ASN 176 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3kbp h VAL 177 N 0.00 1.26 0.00 2.41 2.07 -1.97 0.06 116.25 120.08 3kbp h VAL 177 Ca 0.00 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3kbp h VAL 177 Cb 0.27 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3kbp h VAL 177 CO 0.00 0.33 0.14 0.03 0.02 0.00 0.00 177.57 178.09 3kbp h ARG 178 N 1.10 0.00 0.14 1.57 2.47 -1.19 0.94 114.38 119.42 3kbp h ARG 178 Ca 0.25 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.68 3kbp h ARG 178 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3kbp h ARG 178 CO -0.02 0.00 -1.39 -1.49 0.56 0.00 0.00 179.97 177.63 3kbp h TRP 179 N 0.00 0.55 -0.29 3.04 4.06 -1.18 -2.85 115.95 119.28 3kbp h TRP 179 Ca 0.00 -0.40 -0.12 0.00 2.06 0.00 0.00 58.89 60.43 3kbp h TRP 179 Cb 0.28 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 3kbp h TRP 179 CO 0.00 1.36 -0.29 -0.44 -3.56 0.00 0.00 178.44 175.52 3kbp h ASP 180 N 0.08 0.76 -0.02 -3.49 3.32 0.11 -2.17 116.42 115.00 3kbp h ASP 180 Ca -0.19 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.39 3kbp h ASP 180 Cb 2.02 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.35 3kbp h ASP 180 CO 0.20 1.07 0.01 0.71 -1.72 0.00 0.00 179.24 179.51 3kbp h THR 181 N 0.46 1.05 -1.00 0.35 1.35 -0.90 -2.33 112.91 111.89 3kbp h THR 181 Ca 0.05 -0.14 0.11 0.00 -0.55 0.00 0.00 66.41 65.88 3kbp h THR 181 Cb 0.86 1.10 -0.08 0.00 -1.73 0.00 0.00 68.15 68.30 3kbp h THR 181 CO 0.07 0.04 0.63 -0.25 -0.25 0.00 0.00 175.52 175.76 3kbp h TRP 182 N -0.02 1.15 -0.70 4.73 7.01 -1.52 0.24 115.95 126.84 3kbp h TRP 182 Ca 0.01 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 3kbp h TRP 182 Cb 0.05 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 26.71 3kbp h TRP 182 CO -0.06 0.49 0.28 0.78 -2.79 0.00 0.00 178.44 177.15 3kbp h GLY 183 N 1.03 1.11 1.02 2.65 0.00 -0.98 -0.50 103.07 107.39 3kbp h GLY 183 Ca 0.48 -0.58 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 3kbp h GLY 183 CO -0.24 0.55 -0.53 3.21 0.00 0.00 0.00 176.54 179.53 3kbp h ARG 184 N 1.01 0.69 0.23 4.80 3.08 -0.44 -2.88 114.38 120.87 3kbp h ARG 184 Ca 0.24 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.80 3kbp h ARG 184 Cb 0.19 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 3kbp h ARG 184 CO -0.02 1.11 -0.41 0.35 -1.07 0.00 0.00 179.97 179.93 3kbp h PHE 185 N 0.39 -1.15 0.00 3.04 3.57 0.12 -2.68 116.94 120.23 3kbp h PHE 185 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kbp h PHE 185 Cb 1.15 0.47 0.00 0.00 2.79 0.00 0.00 35.95 40.36 3kbp h PHE 185 CO 0.09 -0.53 0.00 0.25 -2.23 0.00 0.00 178.31 175.89 3kbp n THR 186 N -5.48 0.31 -0.31 4.41 -2.24 -0.27 -4.07 114.28 106.64 3kbp n THR 186 Ca -0.08 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 3kbp n THR 186 Cb 0.39 -0.68 0.29 0.00 -2.10 0.00 0.00 70.33 68.22 3kbp n THR 186 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kbp h GLU 187 N 0.00 0.48 -0.26 -0.78 4.81 -1.24 0.12 114.58 117.71 3kbp h GLU 187 Ca 0.00 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3kbp h GLU 187 Cb 0.30 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3kbp h GLU 187 CO 0.00 0.32 0.44 0.07 -0.73 0.00 0.00 179.01 179.11 3kbp h ARG 188 N 0.49 0.00 0.00 1.92 0.11 -1.78 -0.82 114.38 114.31 3kbp h ARG 188 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 3kbp h ARG 188 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 3kbp h ARG 188 CO -0.47 0.00 -0.79 0.45 0.10 0.00 0.00 179.97 179.26 3kbp n SER 189 N -3.35 1.62 0.27 0.08 2.88 -0.01 -4.68 113.62 110.44 3kbp n SER 189 Ca 0.04 0.27 0.17 0.00 -1.33 0.00 0.00 58.87 58.02 3kbp n SER 189 Cb 0.56 -0.67 0.92 0.00 -0.75 0.00 0.00 64.21 64.27 3kbp n SER 189 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3kbp h VAL 190 N -0.79 0.41 0.00 2.46 -1.51 -1.29 -1.32 116.25 114.21 3kbp h VAL 190 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kbp h VAL 190 Cb 0.79 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3kbp h VAL 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3kbp n ALA 191 N -2.27 1.91 -0.00 5.19 0.00 -0.33 -1.67 120.51 123.33 3kbp n ALA 191 Ca -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.44 3kbp n ALA 191 Cb 0.18 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 3kbp n ALA 191 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kbp n TYR 192 N -1.93 0.00 -3.81 0.00 4.01 -0.54 -4.53 117.16 110.36 3kbp n TYR 192 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 3kbp n TYR 192 Cb 0.28 -0.13 -0.13 0.00 -0.31 0.00 0.00 39.34 39.05 3kbp n TYR 192 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3kbp s GLN 193 N -2.31 0.13 0.62 -0.72 -2.07 -0.95 -4.41 119.66 109.95 3kbp s GLN 193 Ca -0.02 0.22 -0.19 0.00 -1.82 0.00 0.00 55.36 53.55 3kbp s GLN 193 Cb 0.03 0.01 -0.02 0.00 -1.09 0.00 0.00 33.01 31.94 3kbp s GLN 193 CO 0.20 -0.05 1.29 -1.25 -1.32 0.00 0.00 175.29 174.16 3kbp s PRO 194 N 0.33 2.74 -0.09 9.60 0.04 -1.26 -4.17 135.00 142.18 3kbp s PRO 194 Ca -0.02 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.10 3kbp s PRO 194 Cb -0.03 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3kbp s PRO 194 CO -0.01 -1.45 -0.21 -1.58 0.04 0.00 0.00 177.00 173.79 3kbp s TRP 195 N -1.42 2.23 -0.17 0.56 0.52 -1.23 -1.89 118.94 117.54 3kbp s TRP 195 Ca 0.80 -0.88 -0.21 0.00 0.02 0.00 0.00 56.10 55.83 3kbp s TRP 195 Cb -0.37 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 3kbp s TRP 195 CO 0.40 -0.37 0.61 0.42 0.02 0.00 0.00 176.95 178.02 3kbp s ILE 196 N 0.41 5.06 -0.02 2.03 -1.09 0.09 -4.72 121.20 122.96 3kbp s ILE 196 Ca -0.17 1.17 -0.16 0.00 -2.23 0.00 0.00 60.65 59.26 3kbp s ILE 196 Cb -0.17 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 3kbp s ILE 196 CO 0.07 0.17 0.44 0.26 -1.23 0.00 0.00 174.94 174.65 3kbp s TRP 197 N 1.54 3.69 -0.07 3.97 0.52 -1.26 -1.15 118.94 126.18 3kbp s TRP 197 Ca 0.29 1.00 0.02 0.00 0.02 0.00 0.00 56.10 57.43 3kbp s TRP 197 Cb -0.16 -2.37 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 3kbp s TRP 197 CO 0.11 0.53 -0.11 0.99 0.02 0.00 0.00 176.95 178.49 3kbp s THR 198 N -0.69 1.07 -0.10 2.01 2.01 -1.01 -5.00 115.64 113.92 3kbp s THR 198 Ca 0.25 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 3kbp s THR 198 Cb -0.17 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3kbp s THR 198 CO 0.13 0.34 1.47 0.00 -0.69 0.00 0.00 174.62 175.87 3kbp s ALA 199 N 0.79 3.64 0.49 7.40 0.00 -1.26 -2.89 121.76 129.92 3kbp s ALA 199 Ca -0.12 0.72 0.09 0.00 0.00 0.00 0.00 51.96 52.64 3kbp s ALA 199 Cb -0.15 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.32 3kbp s ALA 199 CO 0.02 -1.28 0.65 0.20 0.00 0.00 0.00 175.76 175.35 3kbp s GLY 200 N 2.67 1.87 0.27 0.00 0.00 -1.26 -4.64 107.32 106.24 3kbp s GLY 200 Ca 0.65 -1.87 -0.00 0.00 0.00 0.00 0.00 44.72 43.49 3kbp s GLY 200 CO 0.23 -1.59 1.76 3.45 0.00 0.00 0.00 173.10 176.94 3kbp h ASN 201 N 0.47 0.67 0.19 1.64 -1.07 -1.95 -0.40 115.58 115.14 3kbp h ASN 201 Ca -0.36 -0.18 0.00 0.00 0.07 0.00 0.00 56.30 55.84 3kbp h ASN 201 Cb 1.28 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 3kbp h ASN 201 CO 0.44 0.79 0.00 0.45 0.07 0.00 0.00 177.43 179.18 3kbp h HIS 202 N 0.64 0.00 0.00 4.14 3.86 -1.97 -1.84 115.15 119.98 3kbp h HIS 202 Ca 0.12 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.16 3kbp h HIS 202 Cb 0.50 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 3kbp h HIS 202 CO 0.02 0.00 -0.79 0.93 0.86 0.00 0.00 177.93 178.95 3kbp h GLU 203 N 0.00 0.00 -0.33 2.45 3.07 -1.45 -3.37 114.58 114.95 3kbp h GLU 203 Ca 0.00 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 3kbp h GLU 203 Cb 0.10 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.92 3kbp h GLU 203 CO 0.00 0.79 -0.32 0.82 -1.40 0.00 0.00 179.01 178.90 3kbp h ILE 204 N 0.00 0.25 -6.28 3.13 2.04 -1.30 -3.28 117.51 112.07 3kbp h ILE 204 Ca -0.01 0.00 -0.46 0.00 1.00 0.00 0.00 64.86 65.40 3kbp h ILE 204 Cb 1.48 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3kbp h ILE 204 CO 0.10 0.00 -0.86 -0.62 0.00 0.00 0.00 178.15 176.78 3kbp n GLU 205 N -5.41 -4.17 -2.60 2.37 1.02 -1.26 -0.58 120.64 110.00 3kbp n GLU 205 Ca -0.00 0.52 -0.42 0.00 -0.02 0.00 0.00 57.16 57.24 3kbp n GLU 205 Cb 0.33 -4.88 -0.03 0.00 -0.02 0.00 0.00 31.44 26.84 3kbp n GLU 205 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kbp s PHE 206 N -3.80 2.48 -0.61 -0.32 5.36 -1.26 -4.77 117.98 115.06 3kbp s PHE 206 Ca 0.01 0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.17 3kbp s PHE 206 Cb -0.01 -4.52 0.26 0.00 -0.34 0.00 0.00 43.02 38.42 3kbp s PHE 206 CO 0.85 -1.79 0.76 0.00 -1.46 0.00 0.00 175.22 173.58 3kbp n ALA 207 N 8.74 4.03 -0.32 11.12 0.00 0.80 -4.92 120.51 139.96 3kbp n ALA 207 Ca 0.05 -4.66 0.14 0.00 0.00 0.00 0.00 53.44 48.97 3kbp n ALA 207 Cb 0.49 -0.87 0.32 0.00 0.00 0.00 0.00 19.45 19.39 3kbp n ALA 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kbp h PRO 208 N 3.96 0.45 -0.90 0.00 0.11 -1.82 -0.29 132.00 133.52 3kbp h PRO 208 Ca 0.18 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.39 3kbp h PRO 208 Cb 0.65 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 31.58 3kbp h PRO 208 CO 0.81 0.30 0.51 0.93 -0.21 0.00 0.00 178.00 180.34 3kbp h GLU 209 N 0.46 0.75 -0.67 1.05 3.07 -1.91 0.37 114.58 117.70 3kbp h GLU 209 Ca 0.58 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 59.22 3kbp h GLU 209 Cb 1.08 -0.17 -0.10 0.00 -0.84 0.00 0.00 28.75 28.72 3kbp h GLU 209 CO -0.50 0.50 0.20 0.44 -1.40 0.00 0.00 179.01 178.25 3kbp n ILE 210 N -4.76 2.87 -2.35 3.13 -5.35 -0.24 -4.91 119.36 107.75 3kbp n ILE 210 Ca 0.17 -1.66 -0.21 0.00 -0.27 0.00 0.00 62.75 60.78 3kbp n ILE 210 Cb 0.39 -0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 37.94 3kbp n ILE 210 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3kbp n ASN 211 N -0.09 -5.93 -4.34 7.28 3.02 0.13 -4.90 115.26 110.44 3kbp n ASN 211 Ca 0.38 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.57 3kbp n ASN 211 Cb 1.32 -4.95 -0.13 0.00 -0.61 0.00 0.00 39.78 35.42 3kbp n ASN 211 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kbp s GLU 212 N -4.97 3.06 -0.02 3.52 0.41 -0.50 -4.93 118.70 115.26 3kbp s GLU 212 Ca 0.00 -0.88 0.03 0.00 -0.41 0.00 0.00 54.97 53.71 3kbp s GLU 212 Cb 0.00 -3.37 0.05 0.00 -1.78 0.00 0.00 34.13 29.03 3kbp s GLU 212 CO 0.00 -0.46 0.93 0.25 -0.49 0.00 0.00 175.26 175.50 3kbp n THR 213 N 4.86 0.36 -3.55 3.63 -2.24 -1.26 -0.14 114.28 115.94 3kbp n THR 213 Ca -0.14 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.80 3kbp n THR 213 Cb 0.48 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.08 3kbp n THR 213 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kbp s GLU 214 N -0.53 2.69 0.32 -0.78 2.12 -1.26 -4.96 118.70 116.30 3kbp s GLU 214 Ca 0.05 -1.45 -0.27 0.00 0.36 0.00 0.00 54.97 53.66 3kbp s GLU 214 Cb 0.05 -3.87 -0.13 0.00 0.26 0.00 0.00 34.13 30.43 3kbp s GLU 214 CO 0.00 -0.98 0.99 -2.30 -0.54 0.00 0.00 175.26 172.43 3kbp n PRO 215 N 4.98 1.33 -1.74 4.30 -0.02 -1.26 -2.60 135.00 140.00 3kbp n PRO 215 Ca -0.10 0.47 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 3kbp n PRO 215 Cb 0.43 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 31.97 3kbp n PRO 215 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kbp n PHE 216 N 0.05 -0.19 0.15 6.00 3.72 0.25 -4.95 117.46 122.49 3kbp n PHE 216 Ca 0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.43 3kbp n PHE 216 Cb 0.34 -3.46 -0.03 0.00 -0.94 0.00 0.00 39.48 35.38 3kbp n PHE 216 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3kbp h LYS 217 N 0.00 -0.40 -0.94 -1.08 3.64 -1.73 0.16 116.57 116.22 3kbp h LYS 217 Ca -0.42 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.07 3kbp h LYS 217 Cb 1.32 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.16 3kbp h LYS 217 CO 0.59 -0.27 0.61 -1.35 -2.27 0.00 0.00 179.45 176.76 3kbp h PRO 218 N -0.41 0.98 -0.09 1.90 0.11 -1.89 -1.32 132.00 131.28 3kbp h PRO 218 Ca -0.04 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.03 3kbp h PRO 218 Cb 0.33 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3kbp h PRO 218 CO 0.03 0.65 0.01 0.35 -0.21 0.00 0.00 178.00 178.84 3kbp h PHE 219 N 1.01 0.02 -0.27 0.65 3.57 -1.80 -2.15 116.94 117.97 3kbp h PHE 219 Ca 0.42 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 3kbp h PHE 219 Cb 0.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3kbp h PHE 219 CO -0.00 0.01 0.03 0.66 -2.23 0.00 0.00 178.31 176.78 3kbp h SER 220 N 0.05 0.36 -0.01 0.41 4.64 0.41 0.12 113.55 119.53 3kbp h SER 220 Ca 0.04 -0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3kbp h SER 220 Cb 0.04 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3kbp h SER 220 CO -0.06 0.40 -0.71 1.88 -0.87 0.00 0.00 176.83 177.46 3kbp h TYR 221 N 0.39 0.87 0.17 4.77 0.05 -0.91 -3.35 116.97 118.96 3kbp h TYR 221 Ca 0.09 -0.37 -0.31 0.00 0.05 0.00 0.00 58.73 58.20 3kbp h TYR 221 Cb 0.21 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 37.82 3kbp h TYR 221 CO 0.01 1.16 -1.44 0.00 -1.05 0.00 0.00 178.16 176.84 3kbp h ARG 222 N 0.46 0.36 -5.02 4.88 3.08 -1.00 -3.45 114.38 113.70 3kbp h ARG 222 Ca -0.03 -0.62 -0.66 0.00 0.07 0.00 0.00 59.98 58.73 3kbp h ARG 222 Cb 1.31 0.23 -0.30 0.00 0.08 0.00 0.00 29.97 31.29 3kbp h ARG 222 CO 0.14 1.28 -0.77 0.71 -1.07 0.00 0.00 179.97 180.26 3kbp s TYR 223 N -2.62 2.90 0.16 3.04 2.02 0.38 -4.99 117.35 118.25 3kbp s TYR 223 Ca -0.08 -1.18 0.07 0.00 -0.37 0.00 0.00 57.07 55.52 3kbp s TYR 223 Cb 0.06 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 3kbp s TYR 223 CO 0.89 -0.64 -0.04 -1.01 -1.57 0.00 0.00 175.55 173.19 3kbp s HIS 224 N 1.42 2.79 0.06 2.71 3.76 -1.26 -4.54 115.29 120.22 3kbp s HIS 224 Ca 0.06 -0.15 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 3kbp s HIS 224 Cb -0.14 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 3kbp s HIS 224 CO -0.07 0.50 -0.06 0.14 -0.85 0.00 0.00 174.74 174.41 3kbp s VAL 225 N -1.63 0.45 -1.58 -0.90 -7.23 -1.26 -4.94 120.40 103.31 3kbp s VAL 225 Ca 0.26 -1.42 -0.10 0.00 -1.81 0.00 0.00 61.98 58.91 3kbp s VAL 225 Cb -0.10 -1.01 -0.08 0.00 0.56 0.00 0.00 36.38 35.76 3kbp s VAL 225 CO 0.17 -0.65 2.88 -0.81 -0.31 0.00 0.00 175.10 176.37 3kbp n PRO 226 N 0.82 3.56 0.04 4.82 -0.04 -1.26 -4.54 135.00 138.40 3kbp n PRO 226 Ca -0.18 -2.18 -0.02 0.00 -0.04 0.00 0.00 63.50 61.07 3kbp n PRO 226 Cb 0.58 -2.81 0.23 0.00 -0.04 0.00 0.00 33.50 31.46 3kbp n PRO 226 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3kbp h TYR 227 N 5.14 0.47 0.00 0.54 -0.00 -1.91 -1.20 116.97 120.01 3kbp h TYR 227 Ca 0.84 -0.09 0.00 0.00 -0.00 0.00 0.00 58.73 59.47 3kbp h TYR 227 Cb 0.30 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 36.91 3kbp h TYR 227 CO 1.87 0.64 0.00 0.93 -0.00 0.00 0.00 178.16 181.59 3kbp h GLU 228 N 0.38 0.00 -0.72 0.10 3.07 -1.80 -2.17 114.58 113.44 3kbp h GLU 228 Ca 0.06 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3kbp h GLU 228 Cb 0.63 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 3kbp h GLU 228 CO 0.05 0.00 0.33 0.00 -1.40 0.00 0.00 179.01 177.99 3kbp h ALA 229 N 2.09 0.94 -3.10 3.43 0.00 -1.56 -3.40 119.26 117.65 3kbp h ALA 229 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kbp h ALA 229 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kbp h ALA 229 CO 0.00 0.52 0.00 0.43 0.00 0.00 0.00 179.25 180.20 3kbp n SER 230 N -4.39 0.00 -2.16 0.00 7.64 -0.82 -4.78 113.62 109.11 3kbp n SER 230 Ca 0.06 -0.80 -0.29 0.00 1.01 0.00 0.00 58.87 58.85 3kbp n SER 230 Cb 0.15 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.40 3kbp n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp n GLN 231 N -0.80 3.19 -2.06 1.43 3.00 -1.26 -4.96 117.38 115.92 3kbp n GLN 231 Ca 0.00 -3.77 -0.36 0.00 -0.01 0.00 0.00 57.00 52.86 3kbp n GLN 231 Cb 0.00 -2.28 0.02 0.00 0.00 0.00 0.00 30.24 27.98 3kbp n GLN 231 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3kbp s SER 232 N -2.79 5.41 -0.16 1.08 0.15 -1.19 -4.92 113.70 111.26 3kbp s SER 232 Ca 0.57 2.39 0.16 0.00 0.70 0.00 0.00 55.95 59.77 3kbp s SER 232 Cb 0.46 -2.60 0.58 0.00 -1.71 0.00 0.00 66.02 62.74 3kbp s SER 232 CO 0.02 -1.45 1.48 0.35 1.20 0.00 0.00 173.24 174.84 3kbp n THR 233 N -1.33 2.19 -3.62 6.45 -2.24 -1.26 -4.30 114.28 110.16 3kbp n THR 233 Ca 0.12 -1.63 -0.12 0.00 -2.27 0.00 0.00 64.05 60.14 3kbp n THR 233 Cb 0.49 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 3kbp n THR 233 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kbp s SER 234 N -1.53 -0.61 0.00 3.42 0.15 -1.26 -5.02 113.70 108.85 3kbp s SER 234 Ca 0.43 1.14 0.14 0.00 0.70 0.00 0.00 55.95 58.36 3kbp s SER 234 Cb 0.33 1.14 0.63 0.00 -1.71 0.00 0.00 66.02 66.41 3kbp s SER 234 CO 0.12 -0.24 1.39 -0.81 1.20 0.00 0.00 173.24 174.91 3kbp n PRO 235 N 2.32 0.10 0.00 5.44 -0.04 -1.26 -3.10 135.00 138.46 3kbp n PRO 235 Ca -0.14 0.21 0.15 0.00 -0.04 0.00 0.00 63.50 63.68 3kbp n PRO 235 Cb 0.56 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.30 3kbp n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kbp n PHE 236 N -1.39 0.00 -3.66 0.54 3.72 -1.26 -4.74 117.46 110.66 3kbp n PHE 236 Ca 0.05 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.34 3kbp n PHE 236 Cb 0.13 -0.25 -0.08 0.00 -0.94 0.00 0.00 39.48 38.34 3kbp n PHE 236 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 3kbp s TRP 237 N -2.49 -0.78 0.03 1.38 -2.14 -1.18 -3.59 118.94 110.16 3kbp s TRP 237 Ca 0.31 1.73 -0.04 0.00 2.66 0.00 0.00 56.10 60.75 3kbp s TRP 237 Cb 0.20 0.36 0.02 0.00 -3.10 0.00 0.00 33.47 30.95 3kbp s TRP 237 CO 0.45 -0.39 0.21 2.48 -2.66 0.00 0.00 176.95 177.04 3kbp n TYR 238 N 3.52 -0.61 -3.76 1.66 4.11 -1.01 -4.69 117.16 116.39 3kbp n TYR 238 Ca -0.17 -0.22 -0.10 0.00 -0.00 0.00 0.00 57.90 57.40 3kbp n TYR 238 Cb 0.57 0.11 -0.06 0.00 -0.00 0.00 0.00 39.34 39.95 3kbp n TYR 238 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3kbp s SER 239 N -1.49 -0.05 -0.02 9.48 1.04 -1.26 -0.56 113.70 120.83 3kbp s SER 239 Ca 0.05 -0.43 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 3kbp s SER 239 Cb -0.00 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3kbp s SER 239 CO 0.01 -0.74 0.15 0.27 0.98 0.00 0.00 173.24 173.91 3kbp s ILE 240 N -3.52 0.05 -0.10 -1.02 -4.36 -0.06 -4.52 121.20 107.67 3kbp s ILE 240 Ca 0.02 -0.44 -0.03 0.00 -0.26 0.00 0.00 60.65 59.94 3kbp s ILE 240 Cb 0.02 -0.37 -0.03 0.00 1.25 0.00 0.00 42.46 43.33 3kbp s ILE 240 CO -0.09 -0.24 0.02 -0.54 0.24 0.00 0.00 174.94 174.32 3kbp s LYS 241 N -0.86 3.10 -0.20 0.37 1.02 0.57 0.05 119.74 123.78 3kbp s LYS 241 Ca -0.09 -0.38 -0.18 0.00 0.02 0.00 0.00 55.97 55.34 3kbp s LYS 241 Cb -0.05 -2.86 0.06 0.00 -0.52 0.00 0.00 37.83 34.45 3kbp s LYS 241 CO 0.01 0.68 0.54 0.50 -0.92 0.00 0.00 175.35 176.16 3kbp s ARG 242 N -0.80 0.61 3.48 1.68 3.52 -0.62 -4.09 118.95 122.73 3kbp s ARG 242 Ca 0.12 0.79 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 3kbp s ARG 242 Cb -0.12 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 3kbp s ARG 242 CO 0.02 -0.09 0.00 0.00 -0.81 0.00 0.00 175.30 174.42 3kbp n ALA 243 N 3.05 0.00 0.81 6.12 0.00 -1.26 -0.66 120.51 128.58 3kbp n ALA 243 Ca -0.15 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.38 3kbp n ALA 243 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3kbp n ALA 243 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kbp n SER 244 N 5.00 1.81 -4.93 0.00 3.41 -1.24 -2.51 113.62 115.17 3kbp n SER 244 Ca 0.00 -1.41 -0.27 0.00 -0.26 0.00 0.00 58.87 56.93 3kbp n SER 244 Cb 0.00 0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3kbp n SER 244 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kbp s ALA 245 N -2.06 3.81 -0.20 7.33 0.00 0.17 -2.48 121.76 128.31 3kbp s ALA 245 Ca 0.15 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3kbp s ALA 245 Cb 0.15 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 21.28 3kbp s ALA 245 CO 0.45 0.37 -0.17 -1.58 0.00 0.00 0.00 175.76 174.83 3kbp s HIS 246 N -1.93 2.91 -0.18 0.00 2.46 0.66 -1.59 115.29 117.62 3kbp s HIS 246 Ca 0.39 -1.78 -0.03 0.00 0.47 0.00 0.00 55.06 54.11 3kbp s HIS 246 Cb -0.11 -1.93 -0.01 0.00 -0.13 0.00 0.00 32.58 30.39 3kbp s HIS 246 CO 0.30 -0.82 -0.07 0.42 -2.47 0.00 0.00 174.74 172.10 3kbp s ILE 247 N 1.25 3.38 -0.14 0.89 1.01 0.11 -1.41 121.20 126.29 3kbp s ILE 247 Ca 0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3kbp s ILE 247 Cb -0.15 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3kbp s ILE 247 CO -0.10 0.47 -0.03 -0.63 0.00 0.00 0.00 174.94 174.64 3kbp s ILE 248 N 0.88 3.96 -0.14 2.92 1.01 -0.59 -0.89 121.20 128.36 3kbp s ILE 248 Ca -0.02 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3kbp s ILE 248 Cb -0.15 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 3kbp s ILE 248 CO 0.01 0.51 -0.16 -0.69 0.00 0.00 0.00 174.94 174.62 3kbp s VAL 249 N 0.13 2.73 0.44 2.92 1.01 0.27 -0.64 120.40 127.27 3kbp s VAL 249 Ca -0.01 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3kbp s VAL 249 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3kbp s VAL 249 CO 0.03 0.52 0.16 -0.76 0.00 0.00 0.00 175.10 175.04 3kbp s LEU 250 N 0.59 2.92 -0.25 3.92 1.43 -0.57 -2.40 118.68 124.33 3kbp s LEU 250 Ca -0.09 -1.22 0.01 0.00 -1.03 0.00 0.00 54.13 51.80 3kbp s LEU 250 Cb -0.16 -1.23 0.06 0.00 0.03 0.00 0.00 46.19 44.89 3kbp s LEU 250 CO 0.03 -0.63 -0.06 -0.55 0.23 0.00 0.00 176.35 175.37 3kbp s SER 251 N -3.91 4.05 0.45 2.29 0.15 -1.24 -4.66 113.70 110.83 3kbp s SER 251 Ca 0.35 -1.28 0.17 0.00 0.70 0.00 0.00 55.95 55.88 3kbp s SER 251 Cb 0.04 -1.29 1.06 0.00 -1.71 0.00 0.00 66.02 64.11 3kbp s SER 251 CO 0.19 -0.23 1.99 0.28 1.20 0.00 0.00 173.24 176.67 3kbp h SER 252 N 7.89 0.00 -0.55 5.45 0.02 -1.92 -2.59 113.55 121.86 3kbp h SER 252 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3kbp h SER 252 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3kbp h SER 252 CO 0.43 0.19 0.00 -1.22 -1.14 0.00 0.00 176.83 175.09 3kbp n TYR 253 N -4.16 0.82 -2.90 3.45 4.01 -1.26 -4.87 117.16 112.24 3kbp n TYR 253 Ca -0.02 -0.53 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 3kbp n TYR 253 Cb 0.26 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3kbp n TYR 253 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3kbp n SER 254 N 1.04 0.06 -4.75 7.72 7.64 -0.98 -5.10 113.62 119.25 3kbp n SER 254 Ca 0.19 -0.87 -0.33 0.00 1.01 0.00 0.00 58.87 58.87 3kbp n SER 254 Cb 0.58 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 3kbp n SER 254 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 255 N -2.00 3.50 -0.04 -0.43 0.00 -1.26 -4.99 121.76 116.53 3kbp s ALA 255 Ca 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.14 3kbp s ALA 255 Cb 0.00 -1.52 0.10 0.00 0.00 0.00 0.00 23.12 21.70 3kbp s ALA 255 CO 0.00 0.67 0.99 2.48 0.00 0.00 0.00 175.76 179.90 3kbp n TYR 256 N 1.31 0.00 -0.79 0.00 0.18 -1.26 -3.99 117.16 112.61 3kbp n TYR 256 Ca -0.14 -0.55 -0.33 0.00 1.88 0.00 0.00 57.90 58.76 3kbp n TYR 256 Cb 0.53 -0.08 0.12 0.00 -0.38 0.00 0.00 39.34 39.53 3kbp n TYR 256 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kbp n GLY 257 N -0.71 -1.95 3.66 -7.48 0.00 -1.26 -4.54 105.19 92.91 3kbp n GLY 257 Ca 0.05 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 3kbp n GLY 257 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbp s ARG 258 N -3.68 4.22 0.00 1.61 3.52 -1.26 -1.65 118.95 121.71 3kbp s ARG 258 Ca 0.57 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 3kbp s ARG 258 Cb -0.21 -3.83 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 3kbp s ARG 258 CO 0.67 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 3kbp n GLY 259 N 3.81 3.13 3.73 8.12 0.00 -1.26 -5.06 105.19 117.66 3kbp n GLY 259 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3kbp n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kbp s THR 260 N -2.79 2.82 0.17 2.61 -4.23 -0.66 -4.68 115.64 108.88 3kbp s THR 260 Ca 0.00 0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.65 3kbp s THR 260 Cb 0.00 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 71.29 3kbp s THR 260 CO 0.00 -0.33 1.77 -0.65 -0.54 0.00 0.00 174.62 174.87 3kbp h PRO 261 N -1.28 0.39 -0.42 3.99 0.11 -1.87 0.16 132.00 133.08 3kbp h PRO 261 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kbp h PRO 261 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3kbp h PRO 261 CO 0.48 0.26 0.26 0.37 -0.21 0.00 0.00 178.00 179.16 3kbp h GLN 262 N 0.40 0.57 0.19 1.05 4.15 -1.92 0.11 115.11 119.66 3kbp h GLN 262 Ca 0.20 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.59 3kbp h GLN 262 Cb 0.14 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3kbp h GLN 262 CO -0.16 0.40 -0.33 -0.92 -1.93 0.00 0.00 178.83 175.90 3kbp h TYR 263 N 0.56 -0.89 -0.37 3.99 5.03 -1.50 -0.51 116.97 123.29 3kbp h TYR 263 Ca 0.15 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.55 3kbp h TYR 263 Cb -0.02 0.37 -0.07 0.00 1.55 0.00 0.00 36.73 38.55 3kbp h TYR 263 CO -0.04 -0.44 -0.08 1.15 -1.32 0.00 0.00 178.16 177.43 3kbp h THR 264 N -0.59 0.64 0.52 1.81 2.02 -0.47 -2.58 112.91 114.25 3kbp h THR 264 Ca 0.01 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3kbp h THR 264 Cb 0.59 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3kbp h THR 264 CO -0.15 0.00 -0.28 -0.25 0.37 0.00 0.00 175.52 175.21 3kbp h TRP 265 N 0.01 -0.73 -0.99 3.16 7.01 -0.21 -3.03 115.95 121.17 3kbp h TRP 265 Ca 0.18 -0.01 0.20 0.00 2.11 0.00 0.00 58.89 61.36 3kbp h TRP 265 Cb 0.27 0.25 -0.11 0.00 -2.10 0.00 0.00 29.16 27.48 3kbp h TRP 265 CO -0.33 -0.44 0.59 1.25 -2.79 0.00 0.00 178.44 176.73 3kbp h LEU 266 N -0.74 0.75 0.93 0.65 5.85 -0.80 0.51 115.31 122.45 3kbp h LEU 266 Ca -0.07 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3kbp h LEU 266 Cb 0.59 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.60 3kbp h LEU 266 CO 0.09 0.24 -0.48 0.50 -0.34 0.00 0.00 178.44 178.45 3kbp h LYS 267 N 0.73 -1.25 -0.74 1.25 3.64 -1.40 -0.84 116.57 117.96 3kbp h LYS 267 Ca 0.58 0.08 0.07 0.00 -1.27 0.00 0.00 60.65 60.11 3kbp h LYS 267 Cb 0.93 0.28 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 3kbp h LYS 267 CO -0.40 -0.83 0.42 -0.22 -2.27 0.00 0.00 179.45 176.15 3kbp h LYS 268 N -1.29 0.74 -0.63 1.90 1.63 -1.26 -1.86 116.57 115.79 3kbp h LYS 268 Ca -0.13 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.64 3kbp h LYS 268 Cb 1.01 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.44 3kbp h LYS 268 CO 0.18 0.49 0.41 1.49 -3.45 0.00 0.00 179.45 178.57 3kbp h GLU 269 N 0.76 0.81 -0.58 1.90 4.57 -0.81 -1.44 114.58 119.79 3kbp h GLU 269 Ca 0.34 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.51 3kbp h GLU 269 Cb 0.23 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3kbp h GLU 269 CO -0.20 0.54 0.38 -0.07 -1.18 0.00 0.00 179.01 178.48 3kbp h LEU 270 N 0.84 0.54 -1.27 1.64 3.38 -0.30 0.16 115.31 120.29 3kbp h LEU 270 Ca 0.24 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3kbp h LEU 270 Cb -0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3kbp h LEU 270 CO -0.06 0.36 -0.15 0.03 0.09 0.00 0.00 178.44 178.71 3kbp h ARG 271 N 0.62 0.00 -0.01 1.13 3.08 -1.09 -2.93 114.38 115.19 3kbp h ARG 271 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3kbp h ARG 271 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3kbp h ARG 271 CO -0.07 0.15 -0.03 1.63 -1.07 0.00 0.00 179.97 180.59 3kbp n LYS 272 N -3.32 1.09 -2.51 0.04 5.02 0.54 -4.88 118.16 114.14 3kbp n LYS 272 Ca 0.00 -0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 55.55 3kbp n LYS 272 Cb 0.38 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3kbp n LYS 272 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kbp s VAL 273 N -2.14 4.07 -0.36 -0.18 1.01 -1.11 -5.01 120.40 116.68 3kbp s VAL 273 Ca 0.40 1.62 0.01 0.00 0.00 0.00 0.00 61.98 64.01 3kbp s VAL 273 Cb 0.21 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.65 3kbp s VAL 273 CO 0.39 0.20 0.09 -0.54 0.00 0.00 0.00 175.10 175.24 3kbp s LYS 274 N 0.37 1.77 0.60 2.72 1.02 -1.26 -4.97 119.74 119.99 3kbp s LYS 274 Ca 0.53 -1.79 0.38 0.00 0.02 0.00 0.00 55.97 55.11 3kbp s LYS 274 Cb -0.28 -3.32 1.90 0.00 -0.52 0.00 0.00 37.83 35.60 3kbp s LYS 274 CO 0.32 -0.95 2.19 0.00 -0.92 0.00 0.00 175.35 175.99 3kbp h ARG 275 N 7.80 0.00 0.00 1.68 2.47 -1.92 0.31 114.38 124.71 3kbp h ARG 275 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3kbp h ARG 275 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3kbp h ARG 275 CO 0.58 0.02 0.00 0.66 0.56 0.00 0.00 179.97 181.79 3kbp h SER 276 N 0.00 0.00 0.00 7.04 4.64 -1.95 -2.65 113.55 120.63 3kbp h SER 276 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3kbp h SER 276 Cb 0.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 3kbp h SER 276 CO 0.00 0.00 -2.21 1.21 -0.87 0.00 0.00 176.83 174.96 3kbp n GLU 277 N -3.06 0.48 -3.80 4.77 2.13 -0.04 -4.54 120.64 116.58 3kbp n GLU 277 Ca 0.01 0.18 -0.30 0.00 0.66 0.00 0.00 57.16 57.72 3kbp n GLU 277 Cb 0.35 -1.32 -0.14 0.00 0.27 0.00 0.00 31.44 30.60 3kbp n GLU 277 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3kbp s THR 278 N -2.41 1.78 0.30 6.31 -4.23 0.89 -3.43 115.64 114.84 3kbp s THR 278 Ca -0.30 -2.71 0.03 0.00 -1.18 0.00 0.00 61.69 57.53 3kbp s THR 278 Cb 0.10 -2.25 0.29 0.00 1.34 0.00 0.00 72.50 71.99 3kbp s THR 278 CO 0.41 -0.84 1.84 1.55 -0.54 0.00 0.00 174.62 177.04 3kbp h PRO 279 N 6.78 0.89 -5.50 3.99 0.13 -1.15 -3.37 132.00 133.78 3kbp h PRO 279 Ca -0.04 -0.05 -0.62 0.00 -0.87 0.00 0.00 66.00 64.41 3kbp h PRO 279 Cb 0.93 -0.20 -0.12 0.00 0.13 0.00 0.00 31.00 31.73 3kbp h PRO 279 CO 0.55 0.59 0.15 -1.58 -0.23 0.00 0.00 178.00 177.47 3kbp s TRP 280 N -5.89 3.20 -0.37 1.56 0.52 -1.09 -4.85 118.94 112.01 3kbp s TRP 280 Ca -0.11 0.55 -0.08 0.00 0.02 0.00 0.00 56.10 56.47 3kbp s TRP 280 Cb 0.23 -3.01 0.05 0.00 -1.15 0.00 0.00 33.47 29.59 3kbp s TRP 280 CO 0.80 -0.50 0.18 -1.17 0.02 0.00 0.00 176.95 176.29 3kbp s LEU 281 N 2.62 4.69 -0.06 2.99 2.96 -1.26 -0.24 118.68 130.38 3kbp s LEU 281 Ca 0.25 -1.25 0.03 0.00 -0.22 0.00 0.00 54.13 52.94 3kbp s LEU 281 Cb -0.15 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3kbp s LEU 281 CO 0.12 -0.41 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.99 3kbp s ILE 282 N 1.43 3.26 -0.01 6.68 1.01 -0.50 -1.43 121.20 131.63 3kbp s ILE 282 Ca 0.01 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.09 3kbp s ILE 282 Cb -0.21 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3kbp s ILE 282 CO 0.03 0.59 -0.25 -0.69 0.00 0.00 0.00 174.94 174.62 3kbp s VAL 283 N -0.75 2.01 0.07 2.92 1.01 -1.00 -1.54 120.40 123.13 3kbp s VAL 283 Ca 0.12 -1.11 0.09 0.00 0.00 0.00 0.00 61.98 61.07 3kbp s VAL 283 Cb -0.11 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3kbp s VAL 283 CO 0.01 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 174.66 3kbp s LEU 284 N -0.66 2.39 -0.03 3.92 1.43 0.19 -1.38 118.68 124.54 3kbp s LEU 284 Ca 0.10 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 3kbp s LEU 284 Cb -0.10 -1.36 0.11 0.00 0.03 0.00 0.00 46.19 44.86 3kbp s LEU 284 CO -0.01 0.23 0.91 0.00 0.23 0.00 0.00 176.35 177.71 3kbp s MET 285 N -1.61 0.77 -0.11 1.70 0.23 -0.98 -1.51 119.30 117.80 3kbp s MET 285 Ca 0.14 -0.25 -0.04 0.00 -1.03 0.00 0.00 55.69 54.51 3kbp s MET 285 Cb -0.10 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 33.54 3kbp s MET 285 CO 0.05 -0.33 -0.09 1.25 -2.03 0.00 0.00 175.02 173.87 3kbp h HIS 286 N 2.06 0.00 -3.04 3.16 2.76 -1.82 -3.27 115.15 114.99 3kbp h HIS 286 Ca -0.21 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.39 3kbp h HIS 286 Cb 1.23 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.15 3kbp h HIS 286 CO 0.26 0.00 0.79 0.45 -1.30 0.00 0.00 177.93 178.13 3kbp s SER 287 N -5.35 7.05 0.20 3.26 0.15 -1.26 -0.37 113.70 117.37 3kbp s SER 287 Ca -0.07 1.61 -0.30 0.00 0.70 0.00 0.00 55.95 57.89 3kbp s SER 287 Cb 0.01 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 3kbp s SER 287 CO 0.11 -0.66 1.17 -2.16 1.20 0.00 0.00 173.24 172.89 3kbp s PRO 288 N 2.96 4.53 0.15 5.44 0.04 -1.26 -4.80 135.00 142.05 3kbp s PRO 288 Ca 0.51 1.84 -0.07 0.00 0.04 0.00 0.00 61.00 63.33 3kbp s PRO 288 Cb -0.20 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 3kbp s PRO 288 CO 0.14 -0.02 1.42 -0.07 0.04 0.00 0.00 177.00 178.51 3kbp h LEU 289 N 5.02 0.73 -8.15 -3.56 3.38 -1.95 -3.25 115.31 107.53 3kbp h LEU 289 Ca -0.45 -0.44 -0.67 0.00 0.09 0.00 0.00 57.88 56.42 3kbp h LEU 289 Cb 1.21 -0.21 -0.32 0.00 0.09 0.00 0.00 40.66 41.43 3kbp h LEU 289 CO 0.73 1.20 -0.76 -0.31 0.09 0.00 0.00 178.44 179.38 3kbp s TYR 290 N -3.85 3.02 -0.15 1.13 2.02 -1.26 -4.59 117.35 113.66 3kbp s TYR 290 Ca -0.08 -1.52 -0.07 0.00 -0.37 0.00 0.00 57.07 55.02 3kbp s TYR 290 Cb 0.10 -2.04 0.06 0.00 -0.40 0.00 0.00 41.96 39.69 3kbp s TYR 290 CO 0.87 -0.72 0.35 1.21 -1.57 0.00 0.00 175.55 175.68 3kbp s ASN 291 N 1.33 -0.26 -0.06 2.29 3.04 -1.26 -4.95 114.94 115.06 3kbp s ASN 291 Ca 0.01 0.77 0.15 0.00 0.04 0.00 0.00 52.86 53.84 3kbp s ASN 291 Cb -0.16 0.78 0.50 0.00 -1.54 0.00 0.00 41.25 40.83 3kbp s ASN 291 CO -0.06 -0.20 1.42 -1.54 -3.04 0.00 0.00 177.10 173.68 3kbp n SER 292 N 4.64 3.72 -4.94 -4.21 3.41 -1.26 -4.58 113.62 110.41 3kbp n SER 292 Ca -0.18 -2.31 -0.24 0.00 -0.26 0.00 0.00 58.87 55.87 3kbp n SER 292 Cb 0.53 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 3kbp n SER 292 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3kbp s TYR 293 N -1.57 3.22 0.05 7.33 1.51 -1.26 -1.64 117.35 124.99 3kbp s TYR 293 Ca 0.37 0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 56.66 3kbp s TYR 293 Cb 0.23 -2.50 -0.24 0.00 -0.11 0.00 0.00 41.96 39.35 3kbp s TYR 293 CO 0.19 -0.56 1.16 -0.91 -1.11 0.00 0.00 175.55 174.31 3kbp h ASN 294 N 0.16 0.82 -2.49 2.29 2.35 -1.32 -3.32 115.58 114.07 3kbp h ASN 294 Ca -0.46 -0.75 -0.53 0.00 -0.55 0.00 0.00 56.30 54.01 3kbp h ASN 294 Cb 1.26 -0.25 0.02 0.00 0.05 0.00 0.00 38.32 39.39 3kbp h ASN 294 CO 0.58 1.47 1.15 -2.28 -1.65 0.00 0.00 177.43 176.70 3kbp s HIS 295 N -3.25 1.76 -1.16 1.19 2.46 -1.26 -1.61 115.29 113.43 3kbp s HIS 295 Ca -0.11 -0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.28 3kbp s HIS 295 Cb 0.06 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.37 3kbp s HIS 295 CO 0.90 -4.89 0.00 0.72 -2.47 0.00 0.00 174.74 169.00 3kbp n HIS 296 N 6.75 0.00 -1.67 3.88 8.25 -1.26 -4.90 115.22 126.26 3kbp n HIS 296 Ca 0.18 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.18 3kbp n HIS 296 Cb 0.41 -2.39 -0.04 0.00 1.12 0.00 0.00 29.99 29.08 3kbp n HIS 296 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kbp n PHE 297 N -2.44 2.32 -1.48 4.41 7.35 -0.63 -2.45 117.46 124.54 3kbp n PHE 297 Ca -0.11 0.19 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 3kbp n PHE 297 Cb 0.48 -2.58 -0.04 0.00 0.35 0.00 0.00 39.48 37.69 3kbp n PHE 297 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 3kbp n MET 298 N 4.15 -0.76 0.12 -4.13 2.81 -1.26 -4.93 117.12 113.11 3kbp n MET 298 Ca 0.18 0.81 -0.23 0.00 -1.81 0.00 0.00 57.70 56.65 3kbp n MET 298 Cb 0.30 -4.79 -0.14 0.00 -0.71 0.00 0.00 33.22 27.88 3kbp n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kbp h GLU 299 N 0.00 0.56 0.00 0.03 5.08 -1.77 -3.12 114.58 115.35 3kbp h GLU 299 Ca -0.23 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.30 3kbp h GLU 299 Cb 0.79 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3kbp h GLU 299 CO 0.32 1.39 0.00 0.41 -1.00 0.00 0.00 179.01 180.12 3kbp n GLY 300 N 1.51 -0.58 0.36 -3.84 0.00 -1.23 -3.46 105.19 97.96 3kbp n GLY 300 Ca -0.14 0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 3kbp n GLY 300 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kbp h GLU 301 N 0.00 -0.13 0.29 1.61 4.39 -1.79 0.16 114.58 119.11 3kbp h GLU 301 Ca 0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3kbp h GLU 301 Cb 0.02 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3kbp h GLU 301 CO 0.00 -0.08 -0.30 0.00 -1.16 0.00 0.00 179.01 177.47 3kbp h ALA 302 N 1.04 -0.99 -0.09 3.43 0.00 -1.84 0.23 119.26 121.05 3kbp h ALA 302 Ca 0.25 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kbp h ALA 302 Cb 0.56 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kbp h ALA 302 CO -0.75 -1.00 0.16 1.98 0.00 0.00 0.00 179.25 179.64 3kbp h MET 303 N -0.59 0.00 0.07 0.00 1.85 -1.75 0.48 114.93 114.99 3kbp h MET 303 Ca -0.04 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3kbp h MET 303 Cb 0.51 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.54 3kbp h MET 303 CO -0.04 0.00 -0.03 -0.09 -0.40 0.00 0.00 176.91 176.35 3kbp h ARG 304 N 0.00 -0.09 0.00 0.39 2.43 0.63 -0.65 114.38 117.09 3kbp h ARG 304 Ca 0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3kbp h ARG 304 Cb 0.37 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3kbp h ARG 304 CO -0.00 0.34 0.07 0.25 -1.51 0.00 0.00 179.97 179.12 3kbp n THR 305 N -4.92 1.44 -0.10 0.20 -2.24 0.67 -1.99 114.28 107.34 3kbp n THR 305 Ca -0.08 0.59 -0.14 0.00 -2.27 0.00 0.00 64.05 62.15 3kbp n THR 305 Cb 0.24 -1.59 -0.09 0.00 -2.10 0.00 0.00 70.33 66.79 3kbp n THR 305 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kbp n LYS 306 N -1.73 0.47 -0.00 -0.78 4.01 -1.03 -4.84 118.16 114.27 3kbp n LYS 306 Ca -0.00 0.12 0.06 0.00 -0.51 0.00 0.00 58.31 57.97 3kbp n LYS 306 Cb 0.08 -1.37 -0.08 0.00 -0.51 0.00 0.00 35.03 33.16 3kbp n LYS 306 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3kbp n PHE 307 N -3.14 0.00 -0.13 2.13 3.72 -0.28 -4.74 117.46 115.03 3kbp n PHE 307 Ca -0.34 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 56.97 3kbp n PHE 307 Cb 0.85 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 39.24 3kbp n PHE 307 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kbp h GLU 308 N 0.00 -0.29 -0.62 -1.08 4.81 -1.61 -0.92 114.58 114.88 3kbp h GLU 308 Ca 0.00 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 3kbp h GLU 308 Cb 0.40 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.74 3kbp h GLU 308 CO 0.00 -0.19 0.00 0.00 -0.73 0.00 0.00 179.01 178.09 3kbp h ALA 309 N 0.54 0.61 -0.35 2.92 0.00 -1.85 0.05 119.26 121.18 3kbp h ALA 309 Ca 0.15 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3kbp h ALA 309 Cb 0.57 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3kbp h ALA 309 CO -0.57 -0.39 0.03 -1.49 0.00 0.00 0.00 179.25 176.84 3kbp h TRP 310 N 0.12 0.05 -0.56 0.00 4.06 -1.49 0.63 115.95 118.75 3kbp h TRP 310 Ca 0.32 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.33 3kbp h TRP 310 Cb 0.52 0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.67 3kbp h TRP 310 CO -0.36 -0.02 0.32 0.74 -3.56 0.00 0.00 178.44 175.56 3kbp h PHE 311 N 0.14 0.59 -0.06 0.49 0.04 -0.38 0.71 116.94 118.48 3kbp h PHE 311 Ca 0.17 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 3kbp h PHE 311 Cb 0.21 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 3kbp h PHE 311 CO -0.21 0.32 0.00 0.28 -0.60 0.00 0.00 178.31 178.10 3kbp h VAL 312 N 0.62 1.23 -0.89 -0.55 2.07 -0.21 -0.87 116.25 117.65 3kbp h VAL 312 Ca 0.24 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 67.17 3kbp h VAL 312 Cb 0.08 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 3kbp h VAL 312 CO -0.13 0.20 0.52 0.50 0.02 0.00 0.00 177.57 178.67 3kbp h LYS 313 N -0.17 0.78 -0.25 1.57 3.64 0.62 -1.72 116.57 121.03 3kbp h LYS 313 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kbp h LYS 313 Cb 0.31 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3kbp h LYS 313 CO 0.00 0.51 0.00 0.66 -2.27 0.00 0.00 179.45 178.36 3kbp n TYR 314 N -4.75 0.32 -3.62 1.91 4.02 0.21 -4.96 117.16 110.30 3kbp n TYR 314 Ca 0.17 -0.16 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 3kbp n TYR 314 Cb 0.36 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.73 3kbp n TYR 314 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3kbp n LYS 315 N 0.82 -5.55 -2.00 -0.72 5.02 -0.41 -4.91 118.16 110.41 3kbp n LYS 315 Ca 0.17 0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 56.76 3kbp n LYS 315 Cb 0.45 -5.42 -0.00 0.00 -0.02 0.00 0.00 35.03 30.03 3kbp n LYS 315 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kbp s VAL 316 N -3.55 2.50 -0.04 -0.18 -7.23 -0.73 -4.74 120.40 106.42 3kbp s VAL 316 Ca 0.04 0.46 -0.16 0.00 -1.81 0.00 0.00 61.98 60.51 3kbp s VAL 316 Cb -0.02 -3.28 -0.10 0.00 0.56 0.00 0.00 36.38 33.55 3kbp s VAL 316 CO 0.79 0.08 0.66 0.44 -0.31 0.00 0.00 175.10 176.76 3kbp h ASP 317 N 2.79 -0.39 -3.77 4.85 3.32 -1.60 -3.24 116.42 118.39 3kbp h ASP 317 Ca -0.50 -0.06 -0.36 0.00 0.02 0.00 0.00 57.03 56.13 3kbp h ASP 317 Cb 1.24 0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.75 3kbp h ASP 317 CO 0.63 0.07 -0.71 -0.69 -1.72 0.00 0.00 179.24 176.82 3kbp s VAL 318 N -3.30 1.28 -0.11 -1.35 1.01 -1.24 -1.84 120.40 114.85 3kbp s VAL 318 Ca -0.09 -2.09 -0.03 0.00 0.00 0.00 0.00 61.98 59.77 3kbp s VAL 318 Cb 0.01 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.45 3kbp s VAL 318 CO 0.28 -0.64 0.06 -0.69 0.00 0.00 0.00 175.10 174.11 3kbp s VAL 319 N -3.26 0.06 -0.10 2.92 1.01 -0.74 -2.36 120.40 117.94 3kbp s VAL 319 Ca 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 3kbp s VAL 319 Cb 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3kbp s VAL 319 CO 0.03 -0.01 0.08 -0.36 0.00 0.00 0.00 175.10 174.85 3kbp s PHE 320 N 2.09 3.40 0.32 5.22 0.08 -0.48 -1.32 117.98 127.28 3kbp s PHE 320 Ca 0.03 0.37 0.05 0.00 0.12 0.00 0.00 56.93 57.50 3kbp s PHE 320 Cb -0.14 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 3kbp s PHE 320 CO -0.06 0.61 0.21 0.00 -0.10 0.00 0.00 175.22 175.88 3kbp s ALA 321 N -0.98 1.95 0.00 5.36 0.00 -0.82 -2.31 121.76 124.96 3kbp s ALA 321 Ca 0.15 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.28 3kbp s ALA 321 Cb -0.12 1.29 0.00 0.00 0.00 0.00 0.00 23.12 24.29 3kbp s ALA 321 CO 0.04 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3kbp n GLY 322 N -0.61 4.31 4.34 0.00 0.00 0.50 -0.54 105.19 113.19 3kbp n GLY 322 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3kbp n GLY 322 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kbp n HIS 323 N 0.00 0.00 -3.86 1.61 -0.00 -1.23 -4.31 115.22 107.44 3kbp n HIS 323 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 3kbp n HIS 323 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 29.99 29.85 3kbp n HIS 323 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3kbp s VAL 324 N -0.02 3.23 -0.96 3.57 1.01 -1.26 -4.95 120.40 121.02 3kbp s VAL 324 Ca 0.00 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 3kbp s VAL 324 Cb 0.00 -2.87 -0.17 0.00 0.00 0.00 0.00 36.38 33.34 3kbp s VAL 324 CO 0.00 -0.16 1.94 1.41 0.00 0.00 0.00 175.10 178.30 3kbp n HIS 325 N 4.68 1.79 -1.91 5.22 -0.00 -1.23 -3.27 115.22 120.49 3kbp n HIS 325 Ca -0.12 -1.06 0.00 0.00 -0.00 0.00 0.00 57.72 56.53 3kbp n HIS 325 Cb 0.44 -2.26 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 3kbp n HIS 325 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kbp n ALA 326 N 14.20 0.00 -2.53 -1.41 0.00 -1.25 0.54 120.51 130.06 3kbp n ALA 326 Ca 0.45 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.64 3kbp n ALA 326 Cb 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.78 3kbp n ALA 326 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3kbp s TYR 327 N -2.63 1.84 -0.12 0.00 5.04 0.45 -3.42 117.35 118.51 3kbp s TYR 327 Ca 0.00 -0.41 -0.30 0.00 -2.44 0.00 0.00 57.07 53.92 3kbp s TYR 327 Cb 0.00 -1.01 0.09 0.00 0.35 0.00 0.00 41.96 41.40 3kbp s TYR 327 CO 0.00 0.22 0.82 -2.00 -1.34 0.00 0.00 175.55 173.25 3kbp s GLU 328 N -1.92 0.84 0.03 4.97 2.12 -1.13 -1.18 118.70 122.45 3kbp s GLU 328 Ca 0.07 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.70 3kbp s GLU 328 Cb -0.10 0.40 -0.02 0.00 0.26 0.00 0.00 34.13 34.67 3kbp s GLU 328 CO 0.04 -0.25 -0.07 0.50 -0.54 0.00 0.00 175.26 174.95 3kbp s ARG 329 N -1.00 0.48 0.41 4.30 3.52 0.89 -1.75 118.95 125.80 3kbp s ARG 329 Ca -0.06 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 3kbp s ARG 329 Cb -0.01 -0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.06 3kbp s ARG 329 CO 0.06 0.05 0.04 -1.12 -0.81 0.00 0.00 175.30 173.52 3kbp s SER 330 N -1.31 3.29 0.38 -2.12 0.01 -1.04 0.00 113.70 112.92 3kbp s SER 330 Ca -0.08 -1.49 -0.07 0.00 1.31 0.00 0.00 55.95 55.62 3kbp s SER 330 Cb -0.09 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.14 3kbp s SER 330 CO 0.00 -0.67 0.69 -1.61 0.41 0.00 0.00 173.24 172.06 3kbp s GLU 331 N -3.80 3.66 -0.34 12.44 0.41 0.38 -4.57 118.70 126.88 3kbp s GLU 331 Ca 0.27 0.21 -0.28 0.00 -0.41 0.00 0.00 54.97 54.75 3kbp s GLU 331 Cb 0.07 -2.49 -0.01 0.00 -1.78 0.00 0.00 34.13 29.91 3kbp s GLU 331 CO 0.13 0.02 1.72 1.03 -0.49 0.00 0.00 175.26 177.67 3kbp s ARG 332 N -3.97 3.41 0.01 1.61 0.52 -1.26 -4.63 118.95 114.65 3kbp s ARG 332 Ca 0.47 1.36 0.01 0.00 -0.52 0.00 0.00 55.73 57.05 3kbp s ARG 332 Cb -0.10 -4.16 -0.01 0.00 0.52 0.00 0.00 34.95 31.20 3kbp s ARG 332 CO 0.34 -1.77 -0.03 0.08 0.02 0.00 0.00 175.30 173.94 3kbp s VAL 333 N 6.51 0.21 0.43 3.52 1.01 -1.25 -1.86 120.40 128.97 3kbp s VAL 333 Ca 0.76 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3kbp s VAL 333 Cb -0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 3kbp s VAL 333 CO 0.33 -0.21 0.06 -0.94 0.00 0.00 0.00 175.10 174.35 3kbp s SER 334 N -0.78 3.28 -0.39 3.32 1.04 -0.90 -4.69 113.70 114.58 3kbp s SER 334 Ca -0.07 -1.59 0.05 0.00 0.48 0.00 0.00 55.95 54.83 3kbp s SER 334 Cb -0.05 0.31 0.30 0.00 0.10 0.00 0.00 66.02 66.68 3kbp s SER 334 CO -0.00 -0.80 1.24 -3.20 0.98 0.00 0.00 173.24 171.46 3kbp n ASN 335 N -1.15 -1.76 -1.41 7.02 2.85 -1.26 -1.91 115.26 117.63 3kbp n ASN 335 Ca -0.10 -2.65 -0.09 0.00 -0.11 0.00 0.00 54.58 51.63 3kbp n ASN 335 Cb 0.66 1.42 0.18 0.00 1.24 0.00 0.00 39.78 43.28 3kbp n ASN 335 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 3kbp n ILE 336 N 0.12 2.69 0.06 -1.44 -5.35 -1.26 -4.59 119.36 109.60 3kbp n ILE 336 Ca -0.04 -2.75 0.07 0.00 -0.27 0.00 0.00 62.75 59.77 3kbp n ILE 336 Cb 0.74 -0.42 -0.11 0.00 -1.74 0.00 0.00 39.64 38.11 3kbp n ILE 336 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kbp n ALA 337 N -1.10 2.69 -1.72 -1.28 0.00 -1.26 -5.00 120.51 112.83 3kbp n ALA 337 Ca 0.39 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 3kbp n ALA 337 Cb 1.10 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 3kbp n ALA 337 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kbp n TYR 338 N -1.95 2.57 -2.72 0.00 9.36 -0.96 -4.80 117.16 118.68 3kbp n TYR 338 Ca -0.02 0.39 -0.06 0.00 3.32 0.00 0.00 57.90 61.52 3kbp n TYR 338 Cb 0.37 -2.52 0.04 0.00 -0.63 0.00 0.00 39.34 36.60 3kbp n TYR 338 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3kbp n LYS 339 N 1.58 1.36 0.00 2.98 4.76 -1.26 -5.05 118.16 122.53 3kbp n LYS 339 Ca 0.08 -3.35 0.00 0.00 -2.87 0.00 0.00 58.31 52.17 3kbp n LYS 339 Cb 0.35 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 3kbp n LYS 339 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3kbp n ILE 340 N -0.24 0.00 1.05 -0.18 2.08 -1.26 -3.78 119.36 117.03 3kbp n ILE 340 Ca 0.09 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.53 3kbp n ILE 340 Cb 0.81 0.00 0.49 0.00 -0.75 0.00 0.00 39.64 40.20 3kbp n ILE 340 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3kbp n THR 341 N 0.00 0.00 1.75 1.39 -2.24 -1.26 -4.01 114.28 109.91 3kbp n THR 341 Ca 0.00 -0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 3kbp n THR 341 Cb 0.00 -0.20 0.13 0.00 -2.10 0.00 0.00 70.33 68.17 3kbp n THR 341 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kbp n ASP 342 N -1.44 0.44 0.00 3.42 5.75 -1.25 -4.92 116.55 118.55 3kbp n ASP 342 Ca 0.07 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3kbp n ASP 342 Cb 0.33 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3kbp n ASP 342 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kbp n GLY 343 N 0.68 0.00 2.15 6.12 0.00 -1.26 -4.83 105.19 108.06 3kbp n GLY 343 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3kbp n GLY 343 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kbp n LEU 344 N 0.00 6.94 -2.67 0.99 4.77 -1.26 -4.56 117.00 121.21 3kbp n LEU 344 Ca 0.00 -3.75 -0.34 0.00 -0.03 0.00 0.00 56.01 51.89 3kbp n LEU 344 Cb 0.00 -1.49 0.03 0.00 -2.33 0.00 0.00 43.42 39.63 3kbp n LEU 344 CO 0.00 1.88 1.03 0.00 -1.33 0.00 0.00 177.39 178.97 3kbp s THR 346 N -5.17 0.10 0.21 0.00 2.01 -1.26 -5.07 115.64 106.46 3kbp s THR 346 Ca 0.52 0.15 -0.32 0.00 0.31 0.00 0.00 61.69 62.35 3kbp s THR 346 Cb 0.43 -0.22 -0.14 0.00 0.01 0.00 0.00 72.50 72.58 3kbp s THR 346 CO -0.28 0.14 1.36 -2.65 -0.69 0.00 0.00 174.62 172.50 3kbp n PRO 347 N 4.27 1.81 -4.31 4.92 -0.02 -1.26 -4.86 135.00 135.55 3kbp n PRO 347 Ca -0.24 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 3kbp n PRO 347 Cb 0.50 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 3kbp n PRO 347 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kbp s VAL 348 N -0.00 1.71 0.33 -1.45 -7.23 -0.80 -4.91 120.40 108.05 3kbp s VAL 348 Ca 0.71 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 58.70 3kbp s VAL 348 Cb -0.71 -1.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 3kbp s VAL 348 CO 0.49 -0.35 1.22 -0.75 -0.31 0.00 0.00 175.10 175.40 3kbp s LYS 349 N -2.82 4.35 -0.12 4.82 2.20 -1.26 -2.12 119.74 124.79 3kbp s LYS 349 Ca 0.15 2.01 -0.05 0.00 -0.36 0.00 0.00 55.97 57.72 3kbp s LYS 349 Cb -0.05 -3.00 0.06 0.00 -1.51 0.00 0.00 37.83 33.32 3kbp s LYS 349 CO 0.06 -0.11 0.27 0.34 -0.36 0.00 0.00 175.35 175.54 3kbp s ASP 350 N -0.75 0.04 0.00 1.43 -1.08 -0.78 -4.79 116.67 110.74 3kbp s ASP 350 Ca 0.50 0.59 0.24 0.00 -0.52 0.00 0.00 52.55 53.36 3kbp s ASP 350 Cb -0.35 0.60 1.18 0.00 -1.46 0.00 0.00 42.92 42.89 3kbp s ASP 350 CO 0.46 -0.21 1.79 0.00 0.52 0.00 0.00 175.17 177.73 3kbp n GLN 351 N 4.84 1.31 0.00 4.34 1.13 -1.26 -2.98 117.38 124.76 3kbp n GLN 351 Ca -0.15 -0.46 0.10 0.00 -1.94 0.00 0.00 57.00 54.56 3kbp n GLN 351 Cb 0.51 -1.40 -0.06 0.00 0.11 0.00 0.00 30.24 29.40 3kbp n GLN 351 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3kbp n SER 352 N -0.37 0.84 -4.84 1.08 7.64 -1.26 -4.93 113.62 111.78 3kbp n SER 352 Ca 0.18 -0.78 -0.32 0.00 1.01 0.00 0.00 58.87 58.95 3kbp n SER 352 Cb 0.20 0.94 -0.06 0.00 -1.01 0.00 0.00 64.21 64.28 3kbp n SER 352 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 353 N -3.04 3.26 0.80 -0.43 0.00 -1.16 -4.27 121.76 116.92 3kbp s ALA 353 Ca 0.07 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 3kbp s ALA 353 Cb 0.16 -2.85 0.07 0.00 0.00 0.00 0.00 23.12 20.50 3kbp s ALA 353 CO 0.84 0.26 1.12 -1.25 0.00 0.00 0.00 175.76 176.73 3kbp s PRO 354 N -3.09 2.10 -0.22 0.00 0.04 -1.22 -4.56 135.00 128.04 3kbp s PRO 354 Ca 0.56 0.46 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 3kbp s PRO 354 Cb -0.10 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3kbp s PRO 354 CO 0.17 -1.57 0.45 0.08 0.04 0.00 0.00 177.00 176.17 3kbp s VAL 355 N -3.29 5.15 -0.31 -0.36 1.01 -0.77 -4.06 120.40 117.77 3kbp s VAL 355 Ca 0.61 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 3kbp s VAL 355 Cb -0.13 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3kbp s VAL 355 CO 0.53 0.19 0.46 -0.31 0.00 0.00 0.00 175.10 175.96 3kbp s TYR 356 N 1.70 3.22 0.07 5.22 1.51 -1.26 -1.78 117.35 126.02 3kbp s TYR 356 Ca 0.20 0.30 0.06 0.00 -1.01 0.00 0.00 57.07 56.63 3kbp s TYR 356 Cb -0.15 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 38.90 3kbp s TYR 356 CO 0.09 -0.39 -0.11 0.42 -1.11 0.00 0.00 175.55 174.44 3kbp s ILE 357 N 2.24 3.28 -0.08 2.71 1.01 -0.44 -2.48 121.20 127.45 3kbp s ILE 357 Ca 0.17 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3kbp s ILE 357 Cb -0.16 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.85 3kbp s ILE 357 CO 0.11 0.22 -0.09 0.42 0.00 0.00 0.00 174.94 175.60 3kbp s THR 358 N -1.10 1.01 -0.32 2.92 -4.23 -0.72 -1.95 115.64 111.25 3kbp s THR 358 Ca 0.19 -0.36 0.12 0.00 -1.18 0.00 0.00 61.69 60.46 3kbp s THR 358 Cb -0.11 -0.97 0.46 0.00 1.34 0.00 0.00 72.50 73.23 3kbp s THR 358 CO 0.10 0.34 1.12 2.30 -0.54 0.00 0.00 174.62 177.94 3kbp n ILE 359 N 4.25 1.98 0.56 2.99 -0.00 0.30 -2.82 119.36 126.61 3kbp n ILE 359 Ca -0.19 -3.90 0.00 0.00 -0.00 0.00 0.00 62.75 58.66 3kbp n ILE 359 Cb 0.51 -0.32 0.00 0.00 -0.00 0.00 0.00 39.64 39.83 3kbp n ILE 359 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kbp n GLY 360 N -0.54 2.10 1.74 3.28 0.00 -1.20 -3.53 105.19 107.02 3kbp n GLY 360 Ca 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 3kbp n GLY 360 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kbp n ASP 361 N 0.80 4.38 0.01 1.61 5.75 -1.24 -3.55 116.55 124.30 3kbp n ASP 361 Ca 0.00 -3.77 0.14 0.00 -0.01 0.00 0.00 54.79 51.14 3kbp n ASP 361 Cb 0.49 -0.65 0.53 0.00 -1.03 0.00 0.00 41.12 40.46 3kbp n ASP 361 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kbp n ALA 362 N -0.97 2.55 0.00 2.12 0.00 -1.13 -0.44 120.51 122.65 3kbp n ALA 362 Ca 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3kbp n ALA 362 Cb 0.98 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3kbp n ALA 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbp n GLY 363 N 1.48 2.82 7.00 0.00 0.00 -1.23 -3.85 105.19 111.41 3kbp n GLY 363 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3kbp n GLY 363 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kbp n ASN 364 N 0.00 0.00 -1.78 1.61 6.94 -0.34 0.18 115.26 121.87 3kbp n ASN 364 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.41 3kbp n ASN 364 Cb 0.00 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 37.49 3kbp n ASN 364 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kbp n TYR 365 N 14.00 1.67 -2.19 -2.53 4.11 -1.26 -3.00 117.16 127.96 3kbp n TYR 365 Ca 0.00 -1.60 -0.04 0.00 -0.00 0.00 0.00 57.90 56.25 3kbp n TYR 365 Cb 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 39.34 38.55 3kbp n TYR 365 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3kbp n GLY 366 N -0.11 0.27 3.00 -7.48 0.00 0.13 -3.88 105.19 97.11 3kbp n GLY 366 Ca 0.33 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 3kbp n GLY 366 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbp s VAL 367 N -2.36 1.03 -0.04 1.61 1.01 -1.24 -4.97 120.40 115.45 3kbp s VAL 367 Ca 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3kbp s VAL 367 Cb -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3kbp s VAL 367 CO 0.03 0.33 0.17 -0.63 0.00 0.00 0.00 175.10 174.99 3kbp s ILE 368 N 0.70 5.42 -0.28 2.22 -1.09 -1.26 -4.87 121.20 122.05 3kbp s ILE 368 Ca -0.14 -0.07 -0.18 0.00 -2.23 0.00 0.00 60.65 58.04 3kbp s ILE 368 Cb -0.16 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 3kbp s ILE 368 CO 0.03 0.41 0.50 -1.81 -1.23 0.00 0.00 174.94 172.84 3kbp s ASP 369 N -1.67 6.39 -0.04 3.58 1.01 0.19 -4.90 116.67 121.23 3kbp s ASP 369 Ca 0.24 0.42 0.06 0.00 0.71 0.00 0.00 52.55 53.97 3kbp s ASP 369 Cb -0.12 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.45 3kbp s ASP 369 CO 0.14 -0.30 0.08 -1.54 0.21 0.00 0.00 175.17 173.76 3kbp n SER 370 N 5.55 3.45 -4.64 0.27 3.41 -1.26 -4.58 113.62 115.82 3kbp n SER 370 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 3kbp n SER 370 Cb 0.50 0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 65.36 3kbp n SER 370 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kbp s ASN 371 N -3.34 6.49 0.20 4.04 0.02 -1.26 -4.96 114.94 116.13 3kbp s ASN 371 Ca -0.03 1.86 0.07 0.00 -1.02 0.00 0.00 52.86 53.74 3kbp s ASN 371 Cb 0.03 -2.53 -0.05 0.00 0.02 0.00 0.00 41.25 38.72 3kbp s ASN 371 CO 0.27 -1.13 -0.13 0.00 0.02 0.00 0.00 177.10 176.13 3kbp s MET 372 N 4.42 1.28 -0.03 -0.60 0.23 -1.26 -0.90 119.30 122.44 3kbp s MET 372 Ca 0.72 -1.57 -0.30 0.00 -1.03 0.00 0.00 55.69 53.51 3kbp s MET 372 Cb -0.28 -1.00 -0.05 0.00 -1.53 0.00 0.00 34.83 31.97 3kbp s MET 372 CO 0.29 0.15 1.46 0.42 -2.03 0.00 0.00 175.02 175.31 3kbp s ILE 373 N -3.06 3.71 -0.21 3.16 1.01 -0.65 -4.77 121.20 120.39 3kbp s ILE 373 Ca 0.22 1.02 -0.08 0.00 0.00 0.00 0.00 60.65 61.80 3kbp s ILE 373 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3kbp s ILE 373 CO 0.06 -0.04 0.09 -1.10 0.00 0.00 0.00 174.94 173.95 3kbp s GLN 374 N 2.98 3.94 0.30 2.79 -1.52 -1.26 -3.31 119.66 123.58 3kbp s GLN 374 Ca 0.66 -0.35 0.02 0.00 -1.95 0.00 0.00 55.36 53.74 3kbp s GLN 374 Cb -0.31 -3.33 -0.03 0.00 -0.22 0.00 0.00 33.01 29.11 3kbp s GLN 374 CO 0.26 0.11 0.47 -1.25 -0.25 0.00 0.00 175.29 174.63 3kbp s PRO 375 N 0.83 3.47 -0.26 2.91 0.04 -1.26 -5.08 135.00 135.65 3kbp s PRO 375 Ca 0.05 -0.51 -0.35 0.00 0.04 0.00 0.00 61.00 60.23 3kbp s PRO 375 Cb -0.13 -2.76 -0.12 0.00 0.04 0.00 0.00 34.50 31.53 3kbp s PRO 375 CO 0.02 0.27 2.04 0.94 0.04 0.00 0.00 177.00 180.32 3kbp n GLN 376 N -1.60 1.45 -1.13 4.56 7.27 -1.21 -4.90 117.38 121.83 3kbp n GLN 376 Ca -0.06 0.47 -0.31 0.00 0.07 0.00 0.00 57.00 57.16 3kbp n GLN 376 Cb 0.56 -2.52 0.11 0.00 2.41 0.00 0.00 30.24 30.81 3kbp n GLN 376 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3kbp s PRO 377 N 5.25 1.91 0.21 3.69 0.04 -1.26 -4.92 135.00 139.92 3kbp s PRO 377 Ca 1.03 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 63.26 3kbp s PRO 377 Cb -0.80 -1.85 0.24 0.00 0.04 0.00 0.00 34.50 32.13 3kbp s PRO 377 CO 0.51 -1.93 1.62 0.93 0.04 0.00 0.00 177.00 178.17 3kbp h GLU 378 N -1.24 -0.02 -0.34 4.56 3.07 -1.98 -0.48 114.58 118.16 3kbp h GLU 378 Ca -0.44 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.52 3kbp h GLU 378 Cb 1.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 3kbp h GLU 378 CO 0.48 -0.01 0.26 0.10 -1.40 0.00 0.00 179.01 178.44 3kbp h TYR 379 N -0.02 0.00 -3.19 4.33 -0.00 -1.92 -3.41 116.97 112.76 3kbp h TYR 379 Ca 0.31 0.00 -0.57 0.00 0.00 0.00 0.00 58.73 58.46 3kbp h TYR 379 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.16 3kbp h TYR 379 CO -0.54 0.00 0.87 0.45 -0.00 0.00 0.00 178.16 178.94 3kbp s SER 380 N -6.34 6.91 -0.00 0.10 0.15 -0.19 -0.47 113.70 113.86 3kbp s SER 380 Ca -0.05 1.21 0.03 0.00 0.70 0.00 0.00 55.95 57.84 3kbp s SER 380 Cb 0.18 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.70 3kbp s SER 380 CO 0.68 -0.87 0.83 0.00 1.20 0.00 0.00 173.24 175.08 3kbp h ALA 381 N 8.22 0.45 -1.67 5.45 0.00 -0.65 -3.46 119.26 127.60 3kbp h ALA 381 Ca -0.22 -1.21 0.08 0.00 0.00 0.00 0.00 54.91 53.56 3kbp h ALA 381 Cb 1.07 0.30 -0.25 0.00 0.00 0.00 0.00 17.79 18.91 3kbp h ALA 381 CO 1.02 1.31 0.29 0.12 0.00 0.00 0.00 179.25 181.98 3kbp s PHE 382 N -2.62 -0.70 -0.03 0.00 5.36 -0.91 -4.96 117.98 114.12 3kbp s PHE 382 Ca -0.07 1.42 -0.07 0.00 -0.96 0.00 0.00 56.93 57.25 3kbp s PHE 382 Cb 0.08 0.42 0.01 0.00 -0.34 0.00 0.00 43.02 43.19 3kbp s PHE 382 CO 0.83 -0.34 0.16 -0.98 -1.46 0.00 0.00 175.22 173.43 3kbp s ARG 383 N 1.28 0.39 -0.20 10.12 1.70 -1.26 -0.08 118.95 130.90 3kbp s ARG 383 Ca -0.08 -0.13 -0.23 0.00 -0.47 0.00 0.00 55.73 54.82 3kbp s ARG 383 Cb -0.04 0.17 0.06 0.00 -0.57 0.00 0.00 34.95 34.57 3kbp s ARG 383 CO -0.15 -0.08 0.62 -2.00 -1.08 0.00 0.00 175.30 172.61 3kbp s GLU 384 N -0.80 0.77 -1.18 3.89 2.12 -0.32 -4.97 118.70 118.20 3kbp s GLU 384 Ca -0.09 0.75 -0.09 0.00 0.36 0.00 0.00 54.97 55.90 3kbp s GLU 384 Cb -0.05 0.37 0.23 0.00 0.26 0.00 0.00 34.13 34.94 3kbp s GLU 384 CO 0.01 -0.12 1.55 0.00 -0.54 0.00 0.00 175.26 176.16 3kbp n ALA 385 N 2.46 4.80 -2.29 6.30 0.00 -1.26 -0.41 120.51 130.10 3kbp n ALA 385 Ca -0.15 -4.49 -0.13 0.00 0.00 0.00 0.00 53.44 48.67 3kbp n ALA 385 Cb 0.56 -2.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.17 3kbp n ALA 385 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kbp s SER 386 N 0.65 1.44 0.27 0.00 0.01 -1.26 -4.96 113.70 109.85 3kbp s SER 386 Ca 0.37 -0.95 -0.21 0.00 1.31 0.00 0.00 55.95 56.46 3kbp s SER 386 Cb 0.02 0.03 -0.09 0.00 0.21 0.00 0.00 66.02 66.20 3kbp s SER 386 CO 0.02 -0.36 0.79 -0.36 0.41 0.00 0.00 173.24 173.74 3kbp s PHE 387 N -3.17 3.63 -0.38 2.43 0.08 -1.26 -4.55 117.98 114.75 3kbp s PHE 387 Ca 0.11 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.66 3kbp s PHE 387 Cb 0.02 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.76 3kbp s PHE 387 CO -0.02 0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.78 3kbp n GLY 388 N 0.54 -1.24 2.97 4.36 0.00 0.42 -0.04 105.19 112.20 3kbp n GLY 388 Ca -0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 3kbp n GLY 388 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kbp n HIS 389 N 0.47 -0.52 -4.25 1.61 1.44 -1.19 -3.46 115.22 109.31 3kbp n HIS 389 Ca 0.00 -2.53 -0.14 0.00 -2.01 0.00 0.00 57.72 53.04 3kbp n HIS 389 Cb 0.00 0.20 -0.10 0.00 0.12 0.00 0.00 29.99 30.21 3kbp n HIS 389 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3kbp s GLY 390 N -3.18 1.56 0.00 -1.39 0.00 0.08 -2.68 107.32 101.72 3kbp s GLY 390 Ca 0.32 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3kbp s GLY 390 CO 0.23 -1.49 -0.02 1.06 0.00 0.00 0.00 173.10 172.88 3kbp s MET 391 N -4.10 0.16 -0.38 2.90 -1.94 -1.08 -0.28 119.30 114.59 3kbp s MET 391 Ca 0.38 -0.17 0.01 0.00 -1.71 0.00 0.00 55.69 54.19 3kbp s MET 391 Cb 0.07 -0.08 0.12 0.00 2.01 0.00 0.00 34.83 36.96 3kbp s MET 391 CO 0.12 0.02 0.17 0.12 -0.01 0.00 0.00 175.02 175.44 3kbp s PHE 392 N -0.33 1.95 -0.60 -0.03 5.36 0.32 -1.62 117.98 123.02 3kbp s PHE 392 Ca -0.03 -2.16 -0.22 0.00 -0.96 0.00 0.00 56.93 53.56 3kbp s PHE 392 Cb -0.03 -1.86 0.07 0.00 -0.34 0.00 0.00 43.02 40.87 3kbp s PHE 392 CO -0.00 -0.83 0.87 0.34 -1.46 0.00 0.00 175.22 174.13 3kbp s ASP 393 N 0.92 6.22 0.02 6.13 -1.08 -0.98 -1.93 116.67 125.98 3kbp s ASP 393 Ca 0.14 -0.92 -0.30 0.00 -0.52 0.00 0.00 52.55 50.95 3kbp s ASP 393 Cb -0.21 -2.38 -0.04 0.00 -1.46 0.00 0.00 42.92 38.82 3kbp s ASP 393 CO -0.10 -1.26 1.13 -0.63 0.52 0.00 0.00 175.17 174.82 3kbp s ILE 394 N 3.61 4.34 -0.02 4.11 1.01 0.05 -0.32 121.20 133.97 3kbp s ILE 394 Ca 0.21 1.67 -0.02 0.00 0.00 0.00 0.00 60.65 62.51 3kbp s ILE 394 Cb -0.18 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 3kbp s ILE 394 CO 0.12 0.11 -0.04 0.29 0.00 0.00 0.00 174.94 175.41 3kbp n LYS 395 N 4.10 0.07 -0.60 2.79 4.76 0.19 -2.70 118.16 126.76 3kbp n LYS 395 Ca 0.08 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3kbp n LYS 395 Cb 0.48 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 3kbp n LYS 395 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kbp n ASN 396 N -2.79 1.99 -0.12 4.39 3.02 -0.64 -4.21 115.26 116.91 3kbp n ASN 396 Ca -0.02 -0.30 0.14 0.00 -0.03 0.00 0.00 54.58 54.37 3kbp n ASN 396 Cb 0.06 0.00 0.62 0.00 -0.61 0.00 0.00 39.78 39.86 3kbp n ASN 396 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3kbp n ARG 397 N 0.00 0.72 -0.02 3.52 1.85 -1.25 -3.71 116.66 117.76 3kbp n ARG 397 Ca 0.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 57.85 56.58 3kbp n ARG 397 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.88 3kbp n ARG 397 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3kbp n THR 398 N -0.93 0.33 -4.93 8.89 -2.24 -1.26 -4.58 114.28 109.56 3kbp n THR 398 Ca 0.15 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 3kbp n THR 398 Cb 0.27 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.50 3kbp n THR 398 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kbp s HIS 399 N -2.12 2.45 -0.18 4.78 3.76 -1.24 -1.62 115.29 121.13 3kbp s HIS 399 Ca -0.03 -0.33 -0.10 0.00 -0.15 0.00 0.00 55.06 54.45 3kbp s HIS 399 Cb 0.01 -1.48 0.06 0.00 1.11 0.00 0.00 32.58 32.29 3kbp s HIS 399 CO 0.20 0.13 0.44 0.00 -0.85 0.00 0.00 174.74 174.65 3kbp s ALA 400 N -0.78 -1.12 -0.33 -1.40 0.00 -1.09 -0.64 121.76 116.41 3kbp s ALA 400 Ca 0.12 1.58 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 3kbp s ALA 400 Cb -0.10 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.12 3kbp s ALA 400 CO 0.02 -0.27 0.06 -1.58 0.00 0.00 0.00 175.76 173.99 3kbp s HIS 401 N 1.31 3.31 0.45 0.00 2.46 0.56 0.71 115.29 124.09 3kbp s HIS 401 Ca -0.09 -1.81 -0.17 0.00 0.47 0.00 0.00 55.06 53.47 3kbp s HIS 401 Cb -0.08 -2.33 -0.09 0.00 -0.13 0.00 0.00 32.58 29.95 3kbp s HIS 401 CO -0.12 -0.81 0.92 0.12 -2.47 0.00 0.00 174.74 172.38 3kbp s PHE 402 N 1.29 3.40 0.11 3.88 5.36 0.09 -2.32 117.98 129.78 3kbp s PHE 402 Ca -0.02 1.43 -0.09 0.00 -0.96 0.00 0.00 56.93 57.29 3kbp s PHE 402 Cb -0.20 -2.74 -0.00 0.00 -0.34 0.00 0.00 43.02 39.74 3kbp s PHE 402 CO -0.00 -0.19 0.22 -1.12 -1.46 0.00 0.00 175.22 172.67 3kbp s SER 403 N -2.68 0.09 -0.23 6.13 0.01 -0.64 -1.33 113.70 115.05 3kbp s SER 403 Ca 0.58 -0.72 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 3kbp s SER 403 Cb -0.10 0.37 0.09 0.00 0.21 0.00 0.00 66.02 66.60 3kbp s SER 403 CO 0.23 -0.78 0.17 0.86 0.41 0.00 0.00 173.24 174.14 3kbp s TRP 404 N -3.89 -0.02 -0.18 2.43 -0.00 -0.32 -2.62 118.94 114.34 3kbp s TRP 404 Ca 0.09 -0.30 -0.18 0.00 -0.00 0.00 0.00 56.10 55.71 3kbp s TRP 404 Cb 0.04 -0.62 -0.03 0.00 -0.00 0.00 0.00 33.47 32.86 3kbp s TRP 404 CO -0.08 -0.70 0.50 1.21 -0.00 0.00 0.00 176.95 177.89 3kbp s ASN 405 N 2.22 6.58 0.40 5.86 3.84 -1.09 -1.62 114.94 131.12 3kbp s ASN 405 Ca 0.07 0.69 -0.16 0.00 0.21 0.00 0.00 52.86 53.67 3kbp s ASN 405 Cb -0.16 -2.29 -0.09 0.00 -0.55 0.00 0.00 41.25 38.17 3kbp s ASN 405 CO -0.22 -0.14 0.83 -0.13 -2.79 0.00 0.00 177.10 174.66 3kbp s ARG 406 N 1.42 4.00 0.43 0.43 0.52 -1.26 -3.19 118.95 121.29 3kbp s ARG 406 Ca 0.24 0.78 0.19 0.00 -0.52 0.00 0.00 55.73 56.42 3kbp s ARG 406 Cb -0.15 -2.32 0.97 0.00 0.52 0.00 0.00 34.95 33.97 3kbp s ARG 406 CO 0.10 0.00 1.89 -0.91 0.02 0.00 0.00 175.30 176.40 3kbp h ASN 407 N 1.74 0.00 -0.24 0.23 4.21 -0.82 -2.47 115.58 118.23 3kbp h ASN 407 Ca -0.48 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 56.89 3kbp h ASN 407 Cb 1.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.37 3kbp h ASN 407 CO 0.63 0.27 -0.36 1.56 -1.29 0.00 0.00 177.43 178.24 3kbp h GLN 408 N 0.00 0.77 -7.37 0.81 7.50 -1.92 -3.45 115.11 111.45 3kbp h GLN 408 Ca -0.00 -0.39 -0.44 0.00 0.50 0.00 0.00 58.65 58.32 3kbp h GLN 408 Cb 0.59 0.00 0.17 0.00 0.05 0.00 0.00 27.48 28.29 3kbp h GLN 408 CO 0.04 1.01 0.17 -0.51 -1.50 0.00 0.00 178.83 178.03 3kbp s ASP 409 N -6.83 1.97 0.52 1.46 1.01 -0.93 -5.03 116.67 108.84 3kbp s ASP 409 Ca -0.09 0.98 -0.09 0.00 0.71 0.00 0.00 52.55 54.06 3kbp s ASP 409 Cb 0.12 -1.51 -0.04 0.00 1.01 0.00 0.00 42.92 42.50 3kbp s ASP 409 CO 0.85 -3.51 0.88 -0.83 0.21 0.00 0.00 175.17 172.77 3kbp s GLY 410 N -3.60 1.66 0.32 0.21 0.00 -1.26 -4.91 107.32 99.74 3kbp s GLY 410 Ca 0.67 -0.27 0.17 0.00 0.00 0.00 0.00 44.72 45.30 3kbp s GLY 410 CO 0.57 -0.06 1.36 -0.62 0.00 0.00 0.00 173.10 174.35 3kbp n VAL 411 N -2.23 -0.36 -0.27 1.40 0.31 -1.26 -0.96 118.33 114.96 3kbp n VAL 411 Ca 0.03 1.76 0.12 0.00 -0.01 0.00 0.00 64.34 66.24 3kbp n VAL 411 Cb 0.54 -2.84 0.31 0.00 -0.91 0.00 0.00 33.84 30.95 3kbp n VAL 411 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kbp n ALA 412 N -2.40 2.39 -2.57 3.52 0.00 -1.26 -4.60 120.51 115.58 3kbp n ALA 412 Ca 0.32 -1.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.08 3kbp n ALA 412 Cb 1.09 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 3kbp n ALA 412 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kbp s VAL 413 N -1.06 4.66 -1.14 0.00 1.01 -0.13 -4.99 120.40 118.75 3kbp s VAL 413 Ca 0.48 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 3kbp s VAL 413 Cb 0.25 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.45 3kbp s VAL 413 CO 0.33 -0.57 1.49 -1.61 0.00 0.00 0.00 175.10 174.74 3kbp s GLU 414 N 3.28 3.83 0.64 2.72 2.02 -1.26 -4.20 118.70 125.73 3kbp s GLU 414 Ca 0.32 -1.84 0.23 0.00 0.02 0.00 0.00 54.97 53.70 3kbp s GLU 414 Cb -0.12 -5.29 1.14 0.00 0.10 0.00 0.00 34.13 29.96 3kbp s GLU 414 CO 0.20 -2.06 1.63 0.00 0.02 0.00 0.00 175.26 175.05 3kbp h ALA 415 N 8.32 1.91 -2.50 5.21 0.00 -1.67 -3.40 119.26 127.13 3kbp h ALA 415 Ca 0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3kbp h ALA 415 Cb 0.94 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.57 3kbp h ALA 415 CO 1.35 -0.77 -0.17 0.34 0.00 0.00 0.00 179.25 180.00 3kbp s ASP 416 N -4.18 -0.24 -0.26 0.00 2.15 -1.11 -4.98 116.67 108.05 3kbp s ASP 416 Ca -0.03 0.00 -0.25 0.00 0.43 0.00 0.00 52.55 52.70 3kbp s ASP 416 Cb 0.09 0.38 0.07 0.00 -0.30 0.00 0.00 42.92 43.17 3kbp s ASP 416 CO 0.31 -0.59 0.74 -0.55 -0.17 0.00 0.00 175.17 174.91 3kbp s SER 417 N -1.81 -0.72 -0.14 -0.34 0.15 -1.26 -1.17 113.70 108.41 3kbp s SER 417 Ca -0.07 1.37 -0.17 0.00 0.70 0.00 0.00 55.95 57.78 3kbp s SER 417 Cb -0.02 1.39 0.04 0.00 -1.71 0.00 0.00 66.02 65.72 3kbp s SER 417 CO -0.00 -0.26 0.45 -0.69 1.20 0.00 0.00 173.24 173.94 3kbp s VAL 418 N 0.30 0.01 -0.15 4.45 1.01 -0.44 -5.00 120.40 120.58 3kbp s VAL 418 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 3kbp s VAL 418 Cb -0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 3kbp s VAL 418 CO 0.01 -0.04 0.17 0.26 0.00 0.00 0.00 175.10 175.49 3kbp s TRP 419 N -0.13 3.51 -0.19 5.22 0.52 -1.26 -0.74 118.94 125.88 3kbp s TRP 419 Ca -0.03 0.48 -0.08 0.00 0.02 0.00 0.00 56.10 56.49 3kbp s TRP 419 Cb -0.03 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.15 3kbp s TRP 419 CO 0.02 0.49 0.08 -0.06 0.02 0.00 0.00 176.95 177.50 3kbp s PHE 420 N -0.27 3.29 -0.23 -1.98 0.40 0.22 -4.88 117.98 114.53 3kbp s PHE 420 Ca 0.13 0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 56.50 3kbp s PHE 420 Cb -0.12 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 3kbp s PHE 420 CO 0.02 0.18 0.10 -0.06 0.70 0.00 0.00 175.22 176.16 3kbp s PHE 421 N 0.40 3.22 -0.30 0.36 0.08 -1.26 -2.65 117.98 117.82 3kbp s PHE 421 Ca 0.04 -0.02 -0.32 0.00 0.12 0.00 0.00 56.93 56.75 3kbp s PHE 421 Cb -0.12 -2.21 -0.09 0.00 -0.57 0.00 0.00 43.02 40.03 3kbp s PHE 421 CO -0.00 -0.04 2.21 -1.71 -0.10 0.00 0.00 175.22 175.57 3kbp n ASN 422 N 4.28 2.55 0.22 1.36 2.85 -0.64 -4.75 115.26 121.13 3kbp n ASN 422 Ca -0.16 0.32 0.13 0.00 -0.11 0.00 0.00 54.58 54.76 3kbp n ASN 422 Cb 0.52 -1.38 0.49 0.00 1.24 0.00 0.00 39.78 40.65 3kbp n ASN 422 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3kbp h ARG 423 N 13.50 0.00 0.00 1.20 2.47 -1.85 0.22 114.38 129.92 3kbp h ARG 423 Ca -0.32 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.02 3kbp h ARG 423 Cb 1.29 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.55 3kbp h ARG 423 CO 1.00 0.00 -2.36 1.58 0.56 0.00 0.00 179.97 180.75 3kbp n HIS 424 N -2.94 0.00 0.02 3.04 -0.00 -1.26 -4.36 115.22 109.73 3kbp n HIS 424 Ca 0.04 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.25 3kbp n HIS 424 Cb 0.78 -0.90 -0.09 0.00 -0.12 0.00 0.00 29.99 29.66 3kbp n HIS 424 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 3kbp n TRP 425 N -3.47 0.69 -2.88 1.57 7.02 -0.86 -4.70 117.44 114.80 3kbp n TRP 425 Ca -0.44 0.22 -0.13 0.00 -1.02 0.00 0.00 57.50 56.14 3kbp n TRP 425 Cb 0.92 -0.95 0.03 0.00 -2.42 0.00 0.00 31.31 28.89 3kbp n TRP 425 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 3kbp n TYR 426 N -2.72 -2.21 -0.13 -5.99 9.36 0.73 -5.00 117.16 111.20 3kbp n TYR 426 Ca -0.10 -2.46 -0.01 0.00 3.32 0.00 0.00 57.90 58.65 3kbp n TYR 426 Cb 0.78 0.98 -0.01 0.00 -0.63 0.00 0.00 39.34 40.45 3kbp n TYR 426 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kbp n PRO 427 N 1.05 0.27 -3.19 2.98 -0.04 -1.06 -3.79 135.00 131.22 3kbp n PRO 427 Ca 0.12 -0.07 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 3kbp n PRO 427 Cb 0.64 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 3kbp n PRO 427 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kbp s VAL 428 N 1.99 4.94 -0.34 0.52 1.01 -1.26 -4.96 120.40 122.30 3kbp s VAL 428 Ca 0.05 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 62.01 3kbp s VAL 428 Cb 0.02 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3kbp s VAL 428 CO 0.00 -0.37 2.31 -0.67 0.00 0.00 0.00 175.10 176.37 3kbp n ASP 429 N -1.01 2.81 -1.00 3.32 -0.08 -1.26 -4.77 116.55 114.55 3kbp n ASP 429 Ca -0.00 -0.06 0.11 0.00 -1.51 0.00 0.00 54.79 53.32 3kbp n ASP 429 Cb 0.54 -1.55 0.26 0.00 2.34 0.00 0.00 41.12 42.72 3kbp n ASP 429 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3kbp n ASP 430 N 13.24 2.98 -4.79 1.67 5.68 -1.26 -4.97 116.55 129.10 3kbp n ASP 430 Ca 0.34 -1.93 -0.35 0.00 -0.50 0.00 0.00 54.79 52.34 3kbp n ASP 430 Cb 0.47 -0.25 -0.04 0.00 -1.14 0.00 0.00 41.12 40.16 3kbp n ASP 430 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3kbp s SER 431 N -1.39 6.65 0.00 -1.12 0.01 -1.26 -4.87 113.70 111.73 3kbp s SER 431 Ca 0.37 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.60 3kbp s SER 431 Cb 0.21 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3kbp s SER 431 CO 0.29 -0.56 0.00 0.35 0.41 0.00 0.00 173.24 173.73