#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdp s ALA 2 N 0.00 4.14 -0.09 -1.18 0.00 0.34 -4.54 121.76 120.43 3gdp s ALA 2 Ca 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.45 3gdp s ALA 2 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 3gdp s ALA 2 CO 0.00 -0.66 -0.13 0.99 0.00 0.00 0.00 175.76 175.96 3gdp s THR 3 N -2.65 3.10 0.04 0.00 2.01 -1.26 -4.71 115.64 112.17 3gdp s THR 3 Ca 0.58 -0.68 -0.38 0.00 0.31 0.00 0.00 61.69 61.52 3gdp s THR 3 Cb -0.10 -2.26 -0.19 0.00 0.01 0.00 0.00 72.50 69.96 3gdp s THR 3 CO 0.37 0.56 1.02 0.41 -0.69 0.00 0.00 174.62 176.29 3gdp n THR 4 N 2.86 0.32 -3.75 -0.82 -1.04 -1.26 -4.95 114.28 105.64 3gdp n THR 4 Ca -0.18 -0.08 -0.04 0.00 -2.04 0.00 0.00 64.05 61.72 3gdp n THR 4 Cb 0.52 -0.09 -0.01 0.00 -1.82 0.00 0.00 70.33 68.93 3gdp n THR 4 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3gdp s SER 5 N -0.11 -0.18 0.75 8.00 1.04 -1.26 -5.08 113.70 116.86 3gdp s SER 5 Ca 0.86 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 56.77 3gdp s SER 5 Cb -1.18 0.49 0.05 0.00 0.10 0.00 0.00 66.02 65.47 3gdp s SER 5 CO 0.56 -0.89 1.14 -1.81 0.98 0.00 0.00 173.24 173.21 3gdp s ASP 6 N -2.93 4.35 0.12 7.02 1.01 -1.26 -4.91 116.67 120.08 3gdp s ASP 6 Ca 0.12 2.07 -0.31 0.00 0.71 0.00 0.00 52.55 55.14 3gdp s ASP 6 Cb -0.01 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 3gdp s ASP 6 CO 0.02 -2.14 1.70 -2.28 0.21 0.00 0.00 175.17 172.67 3gdp s HIS 7 N -2.45 2.51 -0.62 4.23 2.46 -1.26 -4.91 115.29 115.25 3gdp s HIS 7 Ca 0.67 0.28 -0.27 0.00 0.47 0.00 0.00 55.06 56.22 3gdp s HIS 7 Cb -0.22 -4.04 0.04 0.00 -0.13 0.00 0.00 32.58 28.22 3gdp s HIS 7 CO 0.49 -4.13 1.15 0.34 -2.47 0.00 0.00 174.74 170.12 3gdp s ASP 8 N 2.13 6.33 -0.41 9.88 -1.08 -1.26 -4.89 116.67 127.36 3gdp s ASP 8 Ca 0.75 -0.22 0.06 0.00 -0.52 0.00 0.00 52.55 52.62 3gdp s ASP 8 Cb -0.43 -2.52 0.65 0.00 -1.46 0.00 0.00 42.92 39.15 3gdp s ASP 8 CO 0.33 -1.53 1.83 0.49 0.52 0.00 0.00 175.17 176.81 3gdp n PHE 9 N 8.45 2.66 0.14 -5.34 3.01 -1.26 -4.60 117.46 120.52 3gdp n PHE 9 Ca 0.05 -1.73 0.06 0.00 1.01 0.00 0.00 57.45 56.83 3gdp n PHE 9 Cb 0.48 -0.84 0.52 0.00 -0.01 0.00 0.00 39.48 39.64 3gdp n PHE 9 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3gdp h SER 10 N 1.19 0.22 0.15 4.37 0.02 -1.98 -2.00 113.55 115.52 3gdp h SER 10 Ca 0.52 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3gdp h SER 10 Cb 2.61 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 65.09 3gdp h SER 10 CO 0.94 0.18 0.00 0.00 -1.14 0.00 0.00 176.83 176.81 3gdp n TYR 11 N -4.49 0.32 0.34 3.45 0.18 -1.26 -2.50 117.16 113.20 3gdp n TYR 11 Ca -0.00 0.16 0.22 0.00 1.88 0.00 0.00 57.90 60.15 3gdp n TYR 11 Cb 0.09 -0.75 1.17 0.00 -0.38 0.00 0.00 39.34 39.48 3gdp n TYR 11 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3gdp h LEU 12 N 0.00 0.00 -2.06 -3.48 3.38 -1.74 -1.16 115.31 110.25 3gdp h LEU 12 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gdp h LEU 12 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3gdp h LEU 12 CO 0.00 0.00 -0.09 0.77 0.09 0.00 0.00 178.44 179.21 3gdp h SER 13 N 0.00 0.00 0.00 -0.43 4.64 -1.74 -2.57 113.55 113.45 3gdp h SER 13 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gdp h SER 13 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gdp h SER 13 CO -0.00 0.09 -0.40 2.22 -0.87 0.00 0.00 176.83 177.87 3gdp n PHE 14 N -3.79 0.00 -4.31 4.77 1.16 -0.44 -5.00 117.46 109.84 3gdp n PHE 14 Ca -0.02 -1.37 -0.34 0.00 -1.87 0.00 0.00 57.45 53.84 3gdp n PHE 14 Cb 0.19 -0.23 -0.10 0.00 -1.61 0.00 0.00 39.48 37.73 3gdp n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdp s ALA 15 N -3.11 3.21 0.07 1.98 0.00 -0.97 -1.22 121.76 121.72 3gdp s ALA 15 Ca 0.37 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.55 3gdp s ALA 15 Cb 0.35 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3gdp s ALA 15 CO -0.05 0.38 -0.07 0.71 0.00 0.00 0.00 175.76 176.73 3gdp s TYR 16 N -0.22 0.77 0.29 0.00 1.51 0.91 -4.96 117.35 115.65 3gdp s TYR 16 Ca 0.05 -0.70 -0.23 0.00 -1.01 0.00 0.00 57.07 55.18 3gdp s TYR 16 Cb -0.12 -0.46 -0.09 0.00 -0.11 0.00 0.00 41.96 41.18 3gdp s TYR 16 CO 0.02 -0.12 0.85 0.34 -1.11 0.00 0.00 175.55 175.53 3gdp s ASP 17 N -2.28 7.20 0.47 2.29 -1.08 -1.26 -0.67 116.67 121.33 3gdp s ASP 17 Ca 0.00 1.65 0.23 0.00 -0.52 0.00 0.00 52.55 53.92 3gdp s ASP 17 Cb -0.03 -2.51 1.25 0.00 -1.46 0.00 0.00 42.92 40.18 3gdp s ASP 17 CO -0.02 -0.04 1.87 0.00 0.52 0.00 0.00 175.17 177.50 3gdp h ALA 18 N 3.20 2.46 0.00 3.66 0.00 -1.39 0.20 119.26 127.39 3gdp h ALA 18 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gdp h ALA 18 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gdp h ALA 18 CO 0.65 -0.73 0.00 1.79 0.00 0.00 0.00 179.25 180.96 3gdp h THR 19 N 0.23 0.00 -0.00 0.00 1.35 -1.88 -1.92 112.91 110.69 3gdp h THR 19 Ca 0.44 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 3gdp h THR 19 Cb 1.37 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3gdp h THR 19 CO -0.11 0.00 -0.78 0.47 -0.25 0.00 0.00 175.52 174.86 3gdp n ASP 20 N -2.70 1.22 -4.84 5.36 8.00 0.70 -4.95 116.55 119.34 3gdp n ASP 20 Ca -0.01 -1.11 -0.32 0.00 0.71 0.00 0.00 54.79 54.05 3gdp n ASP 20 Cb 0.12 0.84 -0.05 0.00 -0.02 0.00 0.00 41.12 42.02 3gdp n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gdp s LEU 21 N -2.75 3.75 0.70 0.64 1.43 -0.72 -4.97 118.68 116.76 3gdp s LEU 21 Ca 0.10 1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 54.60 3gdp s LEU 21 Cb 0.15 -4.46 0.02 0.00 0.03 0.00 0.00 46.19 41.93 3gdp s LEU 21 CO 0.72 -0.49 1.27 -1.83 0.23 0.00 0.00 176.35 176.25 3gdp s GLU 22 N -3.75 2.23 0.33 1.70 1.03 -1.26 -4.91 118.70 114.06 3gdp s GLU 22 Ca 0.59 1.98 0.11 0.00 0.03 0.00 0.00 54.97 57.68 3gdp s GLU 22 Cb -0.10 -1.82 0.57 0.00 -0.80 0.00 0.00 34.13 31.98 3gdp s GLU 22 CO 0.25 -1.83 1.75 -0.07 -1.33 0.00 0.00 175.26 174.03 3gdp h LEU 23 N 0.06 0.06 -6.93 1.83 3.38 -1.94 -3.41 115.31 108.36 3gdp h LEU 23 Ca -0.49 -0.03 -0.45 0.00 0.09 0.00 0.00 57.88 57.00 3gdp h LEU 23 Cb 1.33 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 41.66 3gdp h LEU 23 CO 0.51 0.50 -0.73 -0.70 0.09 0.00 0.00 178.44 178.10 3gdp s GLU 24 N -4.05 0.12 0.31 1.13 2.12 -1.26 -0.81 118.70 116.26 3gdp s GLU 24 Ca -0.03 -0.13 0.09 0.00 0.36 0.00 0.00 54.97 55.26 3gdp s GLU 24 Cb 0.14 -1.55 -0.04 0.00 0.26 0.00 0.00 34.13 32.94 3gdp s GLU 24 CO 0.75 -0.75 0.07 0.20 -0.54 0.00 0.00 175.26 174.98 3gdp s GLY 25 N 2.17 1.83 -0.07 -1.50 0.00 -0.37 -5.01 107.32 104.36 3gdp s GLY 25 Ca 0.05 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 43.01 3gdp s GLY 25 CO -0.16 -1.75 -0.08 -0.45 0.00 0.00 0.00 173.10 170.65 3gdp s SER 26 N -3.76 1.68 0.30 1.64 0.15 -1.26 -1.00 113.70 111.44 3gdp s SER 26 Ca 0.35 -0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.80 3gdp s SER 26 Cb -0.04 -0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 63.52 3gdp s SER 26 CO 0.21 -0.05 0.23 -0.31 1.20 0.00 0.00 173.24 174.53 3gdp s TYR 27 N 1.11 1.60 -0.07 3.44 1.51 0.43 -4.96 117.35 120.40 3gdp s TYR 27 Ca -0.07 -1.58 -0.11 0.00 -1.01 0.00 0.00 57.07 54.30 3gdp s TYR 27 Cb -0.14 -0.68 -0.29 0.00 -0.11 0.00 0.00 41.96 40.73 3gdp s TYR 27 CO -0.01 -0.80 0.58 -0.44 -1.11 0.00 0.00 175.55 173.77 3gdp h ASP 28 N 2.26 0.54 -3.99 2.29 3.32 -1.25 0.11 116.42 119.70 3gdp h ASP 28 Ca -0.28 -0.93 -0.30 0.00 0.02 0.00 0.00 57.03 55.54 3gdp h ASP 28 Cb 1.24 -0.17 -0.27 0.00 0.22 0.00 0.00 39.33 40.34 3gdp h ASP 28 CO 0.41 1.78 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.66 3gdp s TYR 29 N -2.56 0.41 -0.15 4.55 1.51 -0.70 -1.88 117.35 118.54 3gdp s TYR 29 Ca -0.18 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3gdp s TYR 29 Cb 0.05 -0.26 0.02 0.00 -0.11 0.00 0.00 41.96 41.66 3gdp s TYR 29 CO 0.82 -0.02 -0.16 0.08 -1.11 0.00 0.00 175.55 175.16 3gdp s VAL 30 N -0.25 1.71 -0.21 0.71 1.01 -0.97 -1.40 120.40 120.99 3gdp s VAL 30 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 3gdp s VAL 30 Cb -0.03 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3gdp s VAL 30 CO -0.00 0.48 0.03 -0.63 0.00 0.00 0.00 175.10 174.98 3gdp s ILE 31 N 1.28 4.12 -0.38 2.22 -1.09 0.31 -1.35 121.20 126.31 3gdp s ILE 31 Ca 0.01 -0.25 -0.18 0.00 -2.23 0.00 0.00 60.65 58.00 3gdp s ILE 31 Cb -0.14 -2.88 0.01 0.00 -1.58 0.00 0.00 42.46 37.87 3gdp s ILE 31 CO -0.08 0.40 0.51 -0.69 -1.23 0.00 0.00 174.94 173.85 3gdp s VAL 32 N 1.15 5.00 0.00 2.92 1.01 -0.33 -1.06 120.40 129.09 3gdp s VAL 32 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3gdp s VAL 32 Cb -0.14 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3gdp s VAL 32 CO 0.02 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.40 3gdp n GLY 33 N 4.92 0.57 2.55 4.51 0.00 0.44 -0.31 105.19 117.86 3gdp n GLY 33 Ca -0.05 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 3gdp n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdp n GLY 34 N 2.13 5.26 0.00 -0.02 0.00 -1.25 -4.30 105.19 107.00 3gdp n GLY 34 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 3gdp n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdp n GLY 35 N 1.66 2.21 0.19 -0.02 0.00 -1.26 -0.14 105.19 107.82 3gdp n GLY 35 Ca 0.58 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 3gdp n GLY 35 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gdp h THR 36 N 0.00 0.59 0.15 2.61 2.02 -1.90 -1.32 112.91 115.07 3gdp h THR 36 Ca 0.00 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.84 3gdp h THR 36 Cb 0.00 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3gdp h THR 36 CO 0.00 0.00 -1.73 0.28 0.37 0.00 0.00 175.52 174.44 3gdp h SER 37 N -0.14 0.50 -0.79 4.18 0.02 -1.86 -3.39 113.55 112.07 3gdp h SER 37 Ca 0.12 -0.79 0.07 0.00 -0.84 0.00 0.00 61.79 60.35 3gdp h SER 37 Cb 0.32 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3gdp h SER 37 CO -0.29 1.67 0.46 1.23 -1.14 0.00 0.00 176.83 178.77 3gdp h GLY 38 N 1.13 1.20 0.82 -3.77 0.00 -1.72 -2.38 103.07 98.35 3gdp h GLY 38 Ca -0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3gdp h GLY 38 CO 0.16 0.18 -0.17 0.00 0.00 0.00 0.00 176.54 176.71 3gdp h PRO 40 N -0.66 0.00 -0.05 0.00 0.13 -1.75 -0.65 132.00 129.02 3gdp h PRO 40 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3gdp h PRO 40 Cb 0.47 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 3gdp h PRO 40 CO 0.08 0.19 0.00 1.25 -0.23 0.00 0.00 178.00 179.29 3gdp h LEU 41 N 0.00 0.09 -0.31 1.56 5.85 -1.31 -1.76 115.31 119.43 3gdp h LEU 41 Ca -0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3gdp h LEU 41 Cb 0.35 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3gdp h LEU 41 CO 0.02 0.37 0.20 0.00 -0.34 0.00 0.00 178.44 178.69 3gdp h ALA 42 N 0.73 0.39 -0.58 1.25 0.00 -0.62 -1.59 119.26 118.84 3gdp h ALA 42 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gdp h ALA 42 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3gdp h ALA 42 CO 0.00 -0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.50 3gdp h ALA 43 N 1.10 0.74 0.03 0.00 0.00 -1.12 -1.20 119.26 118.80 3gdp h ALA 43 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gdp h ALA 43 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3gdp h ALA 43 CO -0.02 0.16 -0.01 1.15 0.00 0.00 0.00 179.25 180.52 3gdp h THR 44 N 0.77 1.02 -0.49 0.00 2.02 -1.07 -2.70 112.91 112.47 3gdp h THR 44 Ca 0.21 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3gdp h THR 44 Cb -0.08 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3gdp h THR 44 CO -0.05 0.04 0.27 -0.07 0.37 0.00 0.00 175.52 176.07 3gdp h LEU 45 N -0.10 0.60 -0.28 2.58 3.38 -1.14 -2.06 115.31 118.27 3gdp h LEU 45 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gdp h LEU 45 Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gdp h LEU 45 CO 0.01 0.48 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 3gdp n SER 46 N -4.41 0.19 0.27 -0.43 3.41 -0.47 -1.38 113.62 110.80 3gdp n SER 46 Ca 0.04 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 3gdp n SER 46 Cb 0.10 -0.59 0.73 0.00 -0.26 0.00 0.00 64.21 64.19 3gdp n SER 46 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gdp h GLU 47 N 0.00 0.00 0.00 4.33 5.08 -1.29 -3.34 114.58 119.35 3gdp h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gdp h GLU 47 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gdp h GLU 47 CO 0.00 0.04 -0.54 1.63 -1.00 0.00 0.00 179.01 179.14 3gdp n LYS 48 N -4.14 2.28 -4.56 2.33 5.02 -0.97 -4.94 118.16 113.18 3gdp n LYS 48 Ca -0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.00 3gdp n LYS 48 Cb 0.13 -0.77 -0.11 0.00 -0.02 0.00 0.00 35.03 34.26 3gdp n LYS 48 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3gdp s TYR 49 N -1.45 2.37 -0.25 2.13 1.51 -0.48 -5.10 117.35 116.08 3gdp s TYR 49 Ca 0.00 -0.66 -0.28 0.00 -1.01 0.00 0.00 57.07 55.12 3gdp s TYR 49 Cb 0.00 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 3gdp s TYR 49 CO 0.00 0.42 0.98 0.15 -1.11 0.00 0.00 175.55 175.98 3gdp s LYS 50 N -3.71 4.20 0.02 -0.62 -0.14 -1.26 -4.06 119.74 114.17 3gdp s LYS 50 Ca 0.34 1.17 0.07 0.00 -1.36 0.00 0.00 55.97 56.20 3gdp s LYS 50 Cb 0.07 -3.66 -0.02 0.00 -1.68 0.00 0.00 37.83 32.54 3gdp s LYS 50 CO 0.17 -0.64 -0.22 0.08 -0.76 0.00 0.00 175.35 173.97 3gdp s VAL 51 N 3.16 1.79 -0.10 3.17 1.01 -0.19 -0.80 120.40 128.44 3gdp s VAL 51 Ca 0.41 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3gdp s VAL 51 Cb -0.15 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.73 3gdp s VAL 51 CO 0.08 0.37 -0.14 -0.22 0.00 0.00 0.00 175.10 175.19 3gdp s LEU 52 N -0.88 1.66 -0.12 3.92 2.96 -0.49 -1.37 118.68 124.35 3gdp s LEU 52 Ca 0.09 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3gdp s LEU 52 Cb -0.09 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3gdp s LEU 52 CO 0.01 0.01 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.33 3gdp s VAL 53 N 0.98 4.01 -0.22 1.68 1.01 -0.25 -0.53 120.40 127.09 3gdp s VAL 53 Ca -0.07 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3gdp s VAL 53 Cb -0.15 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.55 3gdp s VAL 53 CO -0.01 0.54 -0.15 -0.76 0.00 0.00 0.00 175.10 174.72 3gdp s LEU 54 N -0.14 2.79 -0.11 3.92 1.43 -0.22 -0.03 118.68 126.31 3gdp s LEU 54 Ca 0.03 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 3gdp s LEU 54 Cb -0.13 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 3gdp s LEU 54 CO 0.02 -0.09 -0.22 -0.70 0.23 0.00 0.00 176.35 175.59 3gdp s GLU 55 N 1.21 3.11 0.34 1.70 2.56 0.08 -0.42 118.70 127.29 3gdp s GLU 55 Ca -0.01 -0.84 0.12 0.00 0.00 0.00 0.00 54.97 54.23 3gdp s GLU 55 Cb -0.16 -2.37 0.61 0.00 2.00 0.00 0.00 34.13 34.21 3gdp s GLU 55 CO -0.09 0.17 1.76 0.07 -0.56 0.00 0.00 175.26 176.61 3gdp h ARG 56 N 6.77 0.02 0.00 4.30 0.11 -1.72 0.58 114.38 124.44 3gdp h ARG 56 Ca -0.21 -0.01 -0.32 0.00 0.10 0.00 0.00 59.98 59.54 3gdp h ARG 56 Cb 1.23 -0.00 0.11 0.00 1.11 0.00 0.00 29.97 32.42 3gdp h ARG 56 CO 0.49 0.45 0.25 0.41 0.10 0.00 0.00 179.97 181.68 3gdp n GLY 57 N -0.27 -0.91 3.98 0.08 0.00 -1.26 -3.47 105.19 103.34 3gdp n GLY 57 Ca -0.02 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 3gdp n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdp s SER 58 N -4.39 3.86 0.53 1.61 0.01 -1.26 -1.43 113.70 112.63 3gdp s SER 58 Ca 0.53 -0.21 -0.17 0.00 1.31 0.00 0.00 55.95 57.40 3gdp s SER 58 Cb -0.02 -0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 3gdp s SER 58 CO 0.37 -2.21 1.02 -0.76 0.41 0.00 0.00 173.24 172.07 3gdp s LEU 59 N -5.41 3.64 0.57 2.44 1.43 -1.26 -1.04 118.68 119.05 3gdp s LEU 59 Ca 0.70 1.73 0.26 0.00 -1.03 0.00 0.00 54.13 55.78 3gdp s LEU 59 Cb -0.04 -4.53 1.65 0.00 0.03 0.00 0.00 46.19 43.30 3gdp s LEU 59 CO 0.47 -0.81 2.22 -0.65 0.23 0.00 0.00 176.35 177.81 3gdp h PRO 60 N 0.94 0.00 0.00 1.29 0.11 -1.94 -1.65 132.00 130.75 3gdp h PRO 60 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gdp h PRO 60 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gdp h PRO 60 CO 0.59 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.16 3gdp h THR 61 N 0.00 0.07 0.00 -1.15 1.35 -1.97 -1.87 112.91 109.33 3gdp h THR 61 Ca 0.01 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3gdp h THR 61 Cb 0.04 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3gdp h THR 61 CO -0.00 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 3gdp h ALA 62 N 1.99 1.00 -2.43 6.62 0.00 -1.67 -3.35 119.26 121.42 3gdp h ALA 62 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3gdp h ALA 62 Cb 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.60 3gdp h ALA 62 CO 0.00 0.00 -0.92 0.66 0.00 0.00 0.00 179.25 178.99 3gdp n TYR 63 N -2.81 -0.17 -0.45 0.00 4.02 -0.70 -5.02 117.16 112.04 3gdp n TYR 63 Ca 0.02 -3.50 0.37 0.00 -0.01 0.00 0.00 57.90 54.79 3gdp n TYR 63 Cb 0.35 0.05 0.65 0.00 -0.02 0.00 0.00 39.34 40.38 3gdp n TYR 63 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3gdp h PRO 64 N 5.39 0.07 0.00 -0.72 0.11 -1.71 -1.57 132.00 133.58 3gdp h PRO 64 Ca 0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3gdp h PRO 64 Cb 0.88 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3gdp h PRO 64 CO 0.44 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.37 3gdp n ASN 65 N -4.71 0.00 -0.41 -2.05 3.02 -1.26 -1.59 115.26 108.26 3gdp n ASN 65 Ca 0.38 -0.24 0.14 0.00 -0.03 0.00 0.00 54.58 54.83 3gdp n ASN 65 Cb 1.46 -0.14 0.56 0.00 -0.61 0.00 0.00 39.78 41.05 3gdp n ASN 65 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3gdp n VAL 66 N -1.14 0.00 0.17 2.41 0.24 -0.59 -3.95 118.33 115.48 3gdp n VAL 66 Ca 0.10 -0.21 0.11 0.00 -2.04 0.00 0.00 64.34 62.30 3gdp n VAL 66 Cb 0.09 0.39 0.22 0.00 -1.47 0.00 0.00 33.84 33.07 3gdp n VAL 66 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3gdp n LEU 67 N -0.01 3.49 -4.01 1.34 4.77 -0.62 -4.78 117.00 117.17 3gdp n LEU 67 Ca 0.19 -1.59 -0.08 0.00 -0.03 0.00 0.00 56.01 54.49 3gdp n LEU 67 Cb 0.33 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 3gdp n LEU 67 CO 0.17 0.78 -0.35 0.42 -1.33 0.00 0.00 177.39 177.08 3gdp s THR 68 N -1.37 0.15 0.27 -5.08 -4.23 -1.25 -1.04 115.64 103.09 3gdp s THR 68 Ca 0.39 -1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3gdp s THR 68 Cb 0.22 -0.75 0.15 0.00 1.34 0.00 0.00 72.50 73.46 3gdp s THR 68 CO 0.31 -0.68 1.81 0.00 -0.54 0.00 0.00 174.62 175.52 3gdp h ALA 69 N 4.05 1.19 0.00 3.99 0.00 -1.13 -1.88 119.26 125.48 3gdp h ALA 69 Ca -0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3gdp h ALA 69 Cb 1.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gdp h ALA 69 CO 0.50 0.55 0.00 -0.40 0.00 0.00 0.00 179.25 179.90 3gdp n ASP 70 N -4.26 0.00 -0.21 0.00 5.68 -1.26 -2.15 116.55 114.35 3gdp n ASP 70 Ca 0.04 -0.99 0.10 0.00 -0.50 0.00 0.00 54.79 53.43 3gdp n ASP 70 Cb 0.24 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.16 3gdp n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdp n GLY 71 N 0.33 -0.45 0.47 6.12 0.00 -0.71 -4.62 105.19 106.32 3gdp n GLY 71 Ca 0.10 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 3gdp n GLY 71 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gdp h PHE 72 N 1.02 -1.61 -0.85 1.61 3.57 -1.50 -1.75 116.94 117.43 3gdp h PHE 72 Ca 0.00 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3gdp h PHE 72 Cb 0.57 0.71 -0.04 0.00 2.79 0.00 0.00 35.95 39.98 3gdp h PHE 72 CO 0.00 -0.56 0.44 0.28 -2.23 0.00 0.00 178.31 176.24 3gdp h VAL 73 N -0.61 1.26 -0.44 1.41 2.07 -1.83 -3.04 116.25 115.07 3gdp h VAL 73 Ca 0.02 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 66.96 3gdp h VAL 73 Cb 0.69 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 3gdp h VAL 73 CO -0.41 0.30 -0.15 0.22 0.02 0.00 0.00 177.57 177.55 3gdp h TYR 74 N 1.20 -0.34 -0.91 1.57 3.20 -1.65 -1.26 116.97 118.78 3gdp h TYR 74 Ca 0.30 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.26 3gdp h TYR 74 Cb 0.07 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 3gdp h TYR 74 CO 0.01 -0.23 0.60 -0.91 -1.64 0.00 0.00 178.16 175.99 3gdp h ASN 75 N -0.05 0.95 0.60 -2.11 -0.26 -1.22 -1.23 115.58 112.26 3gdp h ASN 75 Ca 0.21 -0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.86 3gdp h ASN 75 Cb 0.37 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 3gdp h ASN 75 CO -0.48 0.63 -0.45 -0.07 -1.06 0.00 0.00 177.43 176.01 3gdp h LEU 76 N 1.09 0.00 -0.11 1.61 3.38 -1.32 -3.07 115.31 116.89 3gdp h LEU 76 Ca 0.38 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 3gdp h LEU 76 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3gdp h LEU 76 CO -0.13 0.45 -0.40 1.56 0.09 0.00 0.00 178.44 180.01 3gdp h GLN 77 N 0.00 0.00 -6.80 1.13 4.20 -0.16 -1.31 115.11 112.18 3gdp h GLN 77 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3gdp h GLN 77 Cb 0.87 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.71 3gdp h GLN 77 CO 0.06 0.40 0.73 -1.14 -0.67 0.00 0.00 178.83 178.20 3gdp s GLN 78 N -3.07 4.28 0.35 1.46 0.74 -0.79 -4.86 119.66 117.77 3gdp s GLN 78 Ca 0.04 2.30 -0.29 0.00 0.05 0.00 0.00 55.36 57.46 3gdp s GLN 78 Cb 0.07 -3.09 -0.11 0.00 1.10 0.00 0.00 33.01 30.99 3gdp s GLN 78 CO 0.72 -0.36 1.44 -1.21 -0.55 0.00 0.00 175.29 175.33 3gdp s GLU 79 N -0.93 4.20 -0.62 1.67 2.02 -1.26 -4.93 118.70 118.85 3gdp s GLU 79 Ca 0.56 2.44 -0.26 0.00 0.02 0.00 0.00 54.97 57.73 3gdp s GLU 79 Cb -0.42 -3.02 0.04 0.00 0.10 0.00 0.00 34.13 30.84 3gdp s GLU 79 CO 0.48 -0.43 1.13 0.34 0.02 0.00 0.00 175.26 176.80 3gdp s ASP 80 N -0.15 6.32 -0.04 -0.19 -1.08 -1.26 -4.85 116.67 115.41 3gdp s ASP 80 Ca 0.53 -0.27 0.21 0.00 -0.52 0.00 0.00 52.55 52.50 3gdp s ASP 80 Cb -0.44 -2.51 0.67 0.00 -1.46 0.00 0.00 42.92 39.17 3gdp s ASP 80 CO 0.57 -1.51 1.57 -0.90 0.52 0.00 0.00 175.17 175.41 3gdp n ASP 81 N 8.39 4.18 0.00 -0.34 5.68 -1.26 -4.92 116.55 128.28 3gdp n ASP 81 Ca 0.04 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 3gdp n ASP 81 Cb 0.48 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3gdp n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdp n GLY 82 N 1.48 1.52 0.00 6.12 0.00 -1.26 -4.79 105.19 108.26 3gdp n GLY 82 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3gdp n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gdp n LYS 83 N -2.00 0.87 -1.24 1.61 5.02 -1.26 -5.07 118.16 116.09 3gdp n LYS 83 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3gdp n LYS 83 Cb 0.00 -0.94 0.12 0.00 -0.02 0.00 0.00 35.03 34.19 3gdp n LYS 83 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gdp n THR 84 N -1.34 2.68 0.30 -0.18 -2.24 -1.26 -4.67 114.28 107.57 3gdp n THR 84 Ca 0.00 -0.27 0.17 0.00 -2.27 0.00 0.00 64.05 61.68 3gdp n THR 84 Cb 0.02 -1.26 0.81 0.00 -2.10 0.00 0.00 70.33 67.80 3gdp n THR 84 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3gdp h PRO 85 N -0.60 0.00 -4.68 -0.78 0.13 -1.95 -3.40 132.00 120.72 3gdp h PRO 85 Ca -0.47 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.96 3gdp h PRO 85 Cb 1.31 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.15 3gdp h PRO 85 CO 0.47 0.00 -0.61 0.08 -0.23 0.00 0.00 178.00 177.71 3gdp s VAL 86 N -3.74 3.74 -0.20 1.56 1.01 -1.26 -0.99 120.40 120.52 3gdp s VAL 86 Ca -0.01 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 3gdp s VAL 86 Cb 0.10 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3gdp s VAL 86 CO 0.42 -0.17 0.38 -0.70 0.00 0.00 0.00 175.10 175.03 3gdp s GLU 87 N 1.40 4.17 0.21 2.72 2.12 -0.07 -4.77 118.70 124.49 3gdp s GLU 87 Ca -0.02 0.18 -0.14 0.00 0.36 0.00 0.00 54.97 55.34 3gdp s GLU 87 Cb -0.19 -3.53 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 3gdp s GLU 87 CO 0.03 -0.02 0.61 1.03 -0.54 0.00 0.00 175.26 176.37 3gdp s ARG 88 N 1.26 3.99 0.16 4.30 0.52 -1.26 -1.39 118.95 126.54 3gdp s ARG 88 Ca 0.18 0.54 -0.21 0.00 -0.52 0.00 0.00 55.73 55.72 3gdp s ARG 88 Cb -0.15 -2.77 0.06 0.00 0.52 0.00 0.00 34.95 32.61 3gdp s ARG 88 CO 0.08 0.37 0.56 -0.59 0.02 0.00 0.00 175.30 175.74 3gdp s PHE 89 N -1.65 -0.43 -0.07 -0.53 -0.12 -0.59 -4.98 117.98 109.61 3gdp s PHE 89 Ca 0.44 0.18 0.02 0.00 -0.05 0.00 0.00 56.93 57.52 3gdp s PHE 89 Cb -0.14 0.50 0.02 0.00 -0.63 0.00 0.00 43.02 42.77 3gdp s PHE 89 CO 0.20 -0.85 -0.11 0.08 -0.05 0.00 0.00 175.22 174.49 3gdp s VAL 90 N -3.78 1.09 0.85 -2.49 1.01 -1.26 -0.48 120.40 115.34 3gdp s VAL 90 Ca 0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3gdp s VAL 90 Cb -0.01 -1.02 0.10 0.00 0.00 0.00 0.00 36.38 35.46 3gdp s VAL 90 CO -0.11 0.35 1.09 -0.94 0.00 0.00 0.00 175.10 175.49 3gdp s SER 91 N 0.85 3.93 0.34 3.32 1.04 -0.77 -4.77 113.70 117.63 3gdp s SER 91 Ca -0.11 1.55 0.25 0.00 0.48 0.00 0.00 55.95 58.12 3gdp s SER 91 Cb -0.15 -2.25 1.20 0.00 0.10 0.00 0.00 66.02 64.91 3gdp s SER 91 CO 0.02 -2.36 1.76 -0.33 0.98 0.00 0.00 173.24 173.31 3gdp h GLU 92 N -1.36 0.00 0.00 4.02 5.08 -1.00 0.09 114.58 121.42 3gdp h GLU 92 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3gdp h GLU 92 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3gdp h GLU 92 CO 0.54 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 178.11 3gdp h ASP 93 N 0.00 0.00 0.00 1.42 5.19 -1.90 -3.47 116.42 117.66 3gdp h ASP 93 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gdp h ASP 93 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3gdp h ASP 93 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 3gdp n GLY 94 N 0.70 0.92 3.56 2.75 0.00 0.02 -5.08 105.19 108.06 3gdp n GLY 94 Ca 0.03 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3gdp n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdp s ILE 95 N -2.00 5.08 0.54 -0.61 -1.09 -1.25 -4.82 121.20 117.04 3gdp s ILE 95 Ca 0.00 0.09 -0.22 0.00 -2.23 0.00 0.00 60.65 58.29 3gdp s ILE 95 Cb 0.00 -3.40 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 3gdp s ILE 95 CO 0.00 0.28 1.32 -1.81 -1.23 0.00 0.00 174.94 173.49 3gdp s ASP 96 N 1.66 5.38 0.31 3.58 1.01 -0.50 -1.85 116.67 126.27 3gdp s ASP 96 Ca 0.07 2.66 -0.17 0.00 0.71 0.00 0.00 52.55 55.82 3gdp s ASP 96 Cb -0.16 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.17 3gdp s ASP 96 CO 0.09 -1.48 0.68 0.21 0.21 0.00 0.00 175.17 174.87 3gdp s ASN 97 N -1.07 -0.07 0.09 0.27 3.84 0.37 -4.55 114.94 113.81 3gdp s ASN 97 Ca 0.71 -0.88 -0.10 0.00 0.21 0.00 0.00 52.86 52.80 3gdp s ASN 97 Cb -0.38 0.73 0.01 0.00 -0.55 0.00 0.00 41.25 41.06 3gdp s ASN 97 CO 0.44 -1.40 0.23 0.68 -2.79 0.00 0.00 177.10 174.26 3gdp s VAL 98 N -3.43 0.12 0.04 -5.21 -7.23 -1.26 -1.55 120.40 101.89 3gdp s VAL 98 Ca 0.16 -1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 59.23 3gdp s VAL 98 Cb -0.04 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 3gdp s VAL 98 CO 0.10 -0.57 0.12 0.00 -0.31 0.00 0.00 175.10 174.44 3gdp s ARG 99 N -3.72 0.63 0.55 4.82 1.70 -0.48 -4.97 118.95 117.48 3gdp s ARG 99 Ca 0.04 -0.75 -0.18 0.00 -0.47 0.00 0.00 55.73 54.37 3gdp s ARG 99 Cb 0.04 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 3gdp s ARG 99 CO -0.10 -0.17 1.06 0.20 -1.08 0.00 0.00 175.30 175.21 3gdp s GLY 100 N -2.18 2.30 -0.46 3.88 0.00 -1.26 -0.89 107.32 108.71 3gdp s GLY 100 Ca -0.04 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.25 3gdp s GLY 100 CO -0.05 0.83 0.64 -2.13 0.00 0.00 0.00 173.10 172.39 3gdp n ARG 101 N -1.62 0.57 -3.58 2.90 0.63 -0.16 -4.75 116.66 110.65 3gdp n ARG 101 Ca 0.09 -2.49 -0.06 0.00 -0.92 0.00 0.00 57.85 54.48 3gdp n ARG 101 Cb 0.53 -1.45 -0.02 0.00 0.45 0.00 0.00 32.46 31.96 3gdp n ARG 101 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3gdp s VAL 102 N 0.13 0.00 0.13 5.15 0.11 -1.26 -3.99 120.40 120.67 3gdp s VAL 102 Ca 0.32 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.06 3gdp s VAL 102 Cb 0.12 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.88 3gdp s VAL 102 CO -0.15 0.00 1.54 -0.22 -3.33 0.00 0.00 175.10 172.94 3gdp s LEU 103 N -2.08 4.37 0.00 2.54 2.96 -0.21 -0.58 118.68 125.68 3gdp s LEU 103 Ca 0.07 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.49 3gdp s LEU 103 Cb -0.01 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3gdp s LEU 103 CO -0.05 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.79 3gdp n GLY 104 N 3.74 1.74 7.00 7.98 0.00 0.80 -4.52 105.19 121.93 3gdp n GLY 104 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3gdp n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdp n GLY 105 N -1.03 0.68 0.11 -0.02 0.00 0.26 -3.07 105.19 102.12 3gdp n GLY 105 Ca 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3gdp n GLY 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gdp n THR 106 N 0.00 0.87 0.42 2.61 -1.04 -1.26 -1.76 114.28 114.12 3gdp n THR 106 Ca 0.00 0.25 0.11 0.00 -2.04 0.00 0.00 64.05 62.37 3gdp n THR 106 Cb 0.00 -1.16 0.45 0.00 -1.82 0.00 0.00 70.33 67.81 3gdp n THR 106 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gdp n SER 107 N -2.11 0.53 0.10 8.00 3.41 -1.17 -2.02 113.62 120.37 3gdp n SER 107 Ca 0.02 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 3gdp n SER 107 Cb 0.21 -0.74 0.21 0.00 -0.26 0.00 0.00 64.21 63.63 3gdp n SER 107 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3gdp h ILE 108 N 0.00 0.00 0.00 -1.33 1.08 -1.45 -3.36 117.51 112.44 3gdp h ILE 108 Ca 0.00 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3gdp h ILE 108 Cb 0.35 1.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 3gdp h ILE 108 CO 0.00 0.00 0.00 2.30 -0.69 0.00 0.00 178.15 179.76 3gdp n ILE 109 N -2.39 0.47 -1.88 -0.67 -5.35 -0.85 -4.79 119.36 103.89 3gdp n ILE 109 Ca 0.04 -0.62 -0.21 0.00 -0.27 0.00 0.00 62.75 61.68 3gdp n ILE 109 Cb 0.47 0.85 0.14 0.00 -1.74 0.00 0.00 39.64 39.36 3gdp n ILE 109 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gdp n ASN 110 N -0.23 0.30 0.00 7.28 0.23 -0.86 -4.97 115.26 117.01 3gdp n ASN 110 Ca 0.00 -1.48 0.10 0.00 -0.53 0.00 0.00 54.58 52.68 3gdp n ASN 110 Cb 0.20 -0.69 0.60 0.00 -2.08 0.00 0.00 39.78 37.81 3gdp n ASN 110 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gdp n ALA 111 N -3.47 2.59 -0.59 -2.53 0.00 -1.26 -4.92 120.51 110.34 3gdp n ALA 111 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3gdp n ALA 111 Cb 0.43 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3gdp n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdp n GLY 112 N 0.78 0.94 3.71 0.00 0.00 -1.26 -4.57 105.19 104.80 3gdp n GLY 112 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3gdp n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdp s VAL 113 N -2.68 3.04 -0.11 1.61 1.01 -1.26 -0.20 120.40 121.80 3gdp s VAL 113 Ca 0.00 0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.72 3gdp s VAL 113 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 3gdp s VAL 113 CO 0.00 0.05 -0.23 -0.47 0.00 0.00 0.00 175.10 174.45 3gdp s TYR 114 N 1.36 2.59 -0.01 5.22 5.04 -0.19 -4.75 117.35 126.61 3gdp s TYR 114 Ca 0.68 -1.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.16 3gdp s TYR 114 Cb -0.39 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.20 3gdp s TYR 114 CO 0.31 -0.42 0.22 0.00 -1.34 0.00 0.00 175.55 174.32 3gdp s ALA 115 N 0.38 -0.55 0.42 3.97 0.00 -1.26 -2.95 121.76 121.76 3gdp s ALA 115 Ca -0.17 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 3gdp s ALA 115 Cb -0.18 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 3gdp s ALA 115 CO 0.08 -0.22 0.79 1.03 0.00 0.00 0.00 175.76 177.43 3gdp s ARG 116 N -1.24 3.79 0.65 0.00 0.52 -0.04 -3.95 118.95 118.67 3gdp s ARG 116 Ca -0.13 0.50 -0.17 0.00 -0.52 0.00 0.00 55.73 55.41 3gdp s ARG 116 Cb -0.06 -2.37 -0.01 0.00 0.52 0.00 0.00 34.95 33.03 3gdp s ARG 116 CO 0.03 -0.06 1.17 0.00 0.02 0.00 0.00 175.30 176.46 3gdp s ALA 117 N -2.40 2.41 -0.09 2.13 0.00 -1.26 -3.33 121.76 119.22 3gdp s ALA 117 Ca 0.52 0.83 -0.36 0.00 0.00 0.00 0.00 51.96 52.95 3gdp s ALA 117 Cb -0.10 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 3gdp s ALA 117 CO 0.32 -1.37 1.76 -1.71 0.00 0.00 0.00 175.76 174.76 3gdp n ASN 118 N -2.11 2.96 0.00 0.00 2.85 -0.28 -4.59 115.26 114.08 3gdp n ASN 118 Ca 0.12 1.03 0.04 0.00 -0.11 0.00 0.00 54.58 55.66 3gdp n ASN 118 Cb 0.51 -1.30 0.17 0.00 1.24 0.00 0.00 39.78 40.40 3gdp n ASN 118 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3gdp n THR 119 N 4.53 1.21 1.07 -0.44 -2.24 -1.26 -2.46 114.28 114.68 3gdp n THR 119 Ca 0.22 0.30 0.12 0.00 -2.27 0.00 0.00 64.05 62.42 3gdp n THR 119 Cb 0.24 -1.18 0.10 0.00 -2.10 0.00 0.00 70.33 67.39 3gdp n THR 119 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gdp n SER 120 N -1.40 1.72 0.02 3.42 7.64 -1.26 -4.38 113.62 119.37 3gdp n SER 120 Ca 0.03 -1.32 0.12 0.00 1.01 0.00 0.00 58.87 58.71 3gdp n SER 120 Cb 0.07 0.40 0.30 0.00 -1.01 0.00 0.00 64.21 63.97 3gdp n SER 120 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3gdp n ILE 121 N -0.25 0.10 -0.15 0.44 -5.35 -1.03 -4.23 119.36 108.89 3gdp n ILE 121 Ca 0.10 -0.07 -0.10 0.00 -0.27 0.00 0.00 62.75 62.41 3gdp n ILE 121 Cb 0.43 0.01 0.03 0.00 -1.74 0.00 0.00 39.64 38.37 3gdp n ILE 121 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3gdp h TYR 122 N 0.00 1.07 -0.73 4.28 -1.99 -1.78 -3.24 116.97 114.58 3gdp h TYR 122 Ca 0.00 -0.24 0.04 0.00 2.00 0.00 0.00 58.73 60.54 3gdp h TYR 122 Cb 0.57 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.99 3gdp h TYR 122 CO 0.00 1.04 0.48 0.77 -0.00 0.00 0.00 178.16 180.45 3gdp h SER 123 N 0.83 0.74 -0.56 3.88 0.02 -1.89 -2.94 113.55 113.64 3gdp h SER 123 Ca 0.12 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3gdp h SER 123 Cb 0.72 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3gdp h SER 123 CO 0.06 0.50 0.00 0.00 -1.14 0.00 0.00 176.83 176.25 3gdp n ALA 124 N -2.44 2.81 0.24 3.77 0.00 -1.24 -4.57 120.51 119.09 3gdp n ALA 124 Ca 0.10 -1.56 0.13 0.00 0.00 0.00 0.00 53.44 52.10 3gdp n ALA 124 Cb 0.15 -0.86 0.43 0.00 0.00 0.00 0.00 19.45 19.18 3gdp n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gdp h SER 125 N 3.47 0.00 0.00 0.00 4.64 -1.54 -3.47 113.55 116.65 3gdp h SER 125 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gdp h SER 125 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gdp h SER 125 CO 0.16 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 3gdp n GLY 126 N 0.48 0.76 3.20 -0.77 0.00 -1.26 -4.92 105.19 102.66 3gdp n GLY 126 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3gdp n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdp s VAL 127 N -2.15 1.60 -0.89 1.61 1.01 -1.26 -4.36 120.40 115.95 3gdp s VAL 127 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 3gdp s VAL 127 Cb 0.00 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 35.15 3gdp s VAL 127 CO 0.00 0.45 1.10 -0.62 0.00 0.00 0.00 175.10 176.03 3gdp s ASP 128 N -0.29 6.56 0.28 3.32 -1.08 -1.26 -4.84 116.67 119.36 3gdp s ASP 128 Ca 0.03 -1.90 -0.29 0.00 -0.52 0.00 0.00 52.55 49.87 3gdp s ASP 128 Cb -0.10 -2.40 -0.09 0.00 -1.46 0.00 0.00 42.92 38.87 3gdp s ASP 128 CO 0.01 -1.11 1.08 0.26 0.52 0.00 0.00 175.17 175.92 3gdp s TRP 129 N 2.87 3.60 -0.69 -5.34 0.52 -1.26 -5.00 118.94 113.65 3gdp s TRP 129 Ca 0.31 1.72 -0.17 0.00 0.02 0.00 0.00 56.10 57.98 3gdp s TRP 129 Cb -0.07 -3.25 0.14 0.00 -1.15 0.00 0.00 33.47 29.15 3gdp s TRP 129 CO -0.07 -0.45 0.74 0.34 0.02 0.00 0.00 176.95 177.53 3gdp s ASP 130 N -0.94 6.39 0.46 2.95 -1.08 -1.26 -4.93 116.67 118.25 3gdp s ASP 130 Ca 0.45 -1.88 0.12 0.00 -0.52 0.00 0.00 52.55 50.72 3gdp s ASP 130 Cb -0.31 -2.28 1.04 0.00 -1.46 0.00 0.00 42.92 39.91 3gdp s ASP 130 CO 0.40 -0.93 2.06 0.24 0.52 0.00 0.00 175.17 177.45 3gdp h MET 131 N 8.75 0.17 -0.66 4.34 2.86 -1.99 -0.13 114.93 128.28 3gdp h MET 131 Ca -0.14 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 3gdp h MET 131 Cb 1.07 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 3gdp h MET 131 CO 1.01 0.18 0.21 -0.44 1.06 0.00 0.00 176.91 178.93 3gdp h ASP 132 N 0.17 0.96 -0.39 1.22 3.32 -2.00 -1.88 116.42 117.82 3gdp h ASP 132 Ca 0.04 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.74 3gdp h ASP 132 Cb 0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3gdp h ASP 132 CO 0.00 0.91 -0.33 0.25 -1.72 0.00 0.00 179.24 178.35 3gdp h LEU 133 N 0.95 0.99 -0.01 1.55 5.85 -1.75 -1.84 115.31 121.06 3gdp h LEU 133 Ca 0.21 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3gdp h LEU 133 Cb 0.29 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3gdp h LEU 133 CO -0.01 1.22 -0.15 0.58 -0.34 0.00 0.00 178.44 179.74 3gdp h VAL 134 N 0.78 0.63 -0.40 1.05 2.07 -0.77 0.31 116.25 119.92 3gdp h VAL 134 Ca 0.08 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 3gdp h VAL 134 Cb 0.91 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3gdp h VAL 134 CO 0.09 0.00 -0.09 0.78 0.02 0.00 0.00 177.57 178.36 3gdp h ASN 135 N -0.24 0.68 -0.51 0.57 4.21 -1.32 -0.79 115.58 118.18 3gdp h ASN 135 Ca 0.05 -0.19 -0.04 0.00 1.21 0.00 0.00 56.30 57.34 3gdp h ASN 135 Cb 0.31 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.30 3gdp h ASN 135 CO -0.15 0.81 0.20 1.56 -1.29 0.00 0.00 177.43 178.56 3gdp h GLN 136 N 0.64 0.81 -0.21 0.81 4.20 -0.95 -1.45 115.11 118.95 3gdp h GLN 136 Ca 0.11 -0.13 -0.19 0.00 0.06 0.00 0.00 58.65 58.50 3gdp h GLN 136 Cb 0.54 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3gdp h GLN 136 CO 0.03 0.68 -0.63 1.15 -0.67 0.00 0.00 178.83 179.39 3gdp h THR 137 N 0.80 1.29 -0.55 -0.54 2.02 -0.36 -1.53 112.91 114.04 3gdp h THR 137 Ca 0.19 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3gdp h THR 137 Cb 0.19 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3gdp h THR 137 CO -0.01 0.59 0.35 1.88 0.37 0.00 0.00 175.52 178.70 3gdp h TYR 138 N 0.56 0.70 -0.73 3.16 0.99 -0.79 -1.69 116.97 119.17 3gdp h TYR 138 Ca -0.01 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3gdp h TYR 138 Cb 1.23 -0.24 -0.03 0.00 1.00 0.00 0.00 36.73 38.69 3gdp h TYR 138 CO 0.07 0.46 0.42 0.93 -0.00 0.00 0.00 178.16 180.04 3gdp h GLU 139 N 0.74 1.00 -0.56 4.88 5.08 -1.15 0.12 114.58 124.70 3gdp h GLU 139 Ca 0.20 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3gdp h GLU 139 Cb -0.06 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 28.95 3gdp h GLU 139 CO -0.04 0.72 0.33 2.35 -1.00 0.00 0.00 179.01 181.37 3gdp h TRP 140 N 1.00 0.62 -0.05 4.33 7.01 -0.84 0.59 115.95 128.61 3gdp h TRP 140 Ca 0.26 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.25 3gdp h TRP 140 Cb -0.01 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 26.85 3gdp h TRP 140 CO -0.01 0.35 -0.06 0.28 -2.79 0.00 0.00 178.44 176.21 3gdp h VAL 141 N 0.66 1.39 -0.65 2.65 2.07 -0.97 -3.27 116.25 118.12 3gdp h VAL 141 Ca 0.23 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3gdp h VAL 141 Cb 0.03 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3gdp h VAL 141 CO -0.10 0.35 0.40 -0.33 0.02 0.00 0.00 177.57 177.90 3gdp h GLU 142 N -0.33 0.87 0.00 1.57 5.08 -0.56 -0.98 114.58 120.25 3gdp h GLU 142 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3gdp h GLU 142 Cb 0.59 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3gdp h GLU 142 CO 0.02 0.61 0.00 -0.25 -1.00 0.00 0.00 179.01 178.38 3gdp n ASP 143 N -4.41 0.10 -0.09 1.42 8.00 0.18 -1.95 116.55 119.80 3gdp n ASP 143 Ca 0.07 0.52 -0.12 0.00 0.71 0.00 0.00 54.79 55.97 3gdp n ASP 143 Cb 0.07 -0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 40.54 3gdp n ASP 143 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gdp n THR 144 N -1.61 0.99 -1.47 -3.53 -1.04 -0.48 -4.10 114.28 103.03 3gdp n THR 144 Ca 0.04 -0.37 0.02 0.00 -2.04 0.00 0.00 64.05 61.69 3gdp n THR 144 Cb 0.19 -1.14 0.02 0.00 -1.82 0.00 0.00 70.33 67.58 3gdp n THR 144 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3gdp n ILE 145 N -3.04 0.36 -5.18 12.58 -5.35 -0.57 -4.87 119.36 113.29 3gdp n ILE 145 Ca -0.31 -0.41 -0.32 0.00 -0.27 0.00 0.00 62.75 61.44 3gdp n ILE 145 Cb 0.82 0.51 -0.16 0.00 -1.74 0.00 0.00 39.64 39.08 3gdp n ILE 145 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3gdp s VAL 146 N -0.51 2.28 0.11 7.28 1.01 -1.03 -4.31 120.40 125.22 3gdp s VAL 146 Ca 0.05 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3gdp s VAL 146 Cb 0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3gdp s VAL 146 CO 0.00 0.57 -0.15 -0.31 0.00 0.00 0.00 175.10 175.21 3gdp s TYR 147 N -0.25 1.41 -0.27 5.22 1.51 -0.08 -0.51 117.35 124.38 3gdp s TYR 147 Ca -0.00 -0.51 -0.27 0.00 -1.01 0.00 0.00 57.07 55.28 3gdp s TYR 147 Cb -0.13 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.97 3gdp s TYR 147 CO 0.03 0.13 0.95 0.21 -1.11 0.00 0.00 175.55 175.76 3gdp s LYS 148 N -2.30 4.14 0.78 -0.62 2.20 -1.26 -1.96 119.74 120.73 3gdp s LYS 148 Ca 0.05 1.05 -0.12 0.00 -0.36 0.00 0.00 55.97 56.60 3gdp s LYS 148 Cb -0.07 -3.68 0.07 0.00 -1.51 0.00 0.00 37.83 32.64 3gdp s LYS 148 CO 0.03 -0.67 1.12 -1.25 -0.36 0.00 0.00 175.35 174.22 3gdp s PRO 149 N 3.17 2.04 0.66 4.03 0.04 -1.26 -4.82 135.00 138.87 3gdp s PRO 149 Ca 0.40 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 3gdp s PRO 149 Cb -0.14 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3gdp s PRO 149 CO 0.10 -1.84 1.06 -0.80 0.04 0.00 0.00 177.00 175.56 3gdp s ASN 150 N -2.91 5.46 0.40 6.66 0.02 -1.26 -5.00 114.94 118.32 3gdp s ASN 150 Ca 0.65 1.70 -0.24 0.00 -1.02 0.00 0.00 52.86 53.95 3gdp s ASN 150 Cb -0.21 -2.51 -0.09 0.00 0.02 0.00 0.00 41.25 38.47 3gdp s ASN 150 CO 0.53 -1.39 1.06 -0.94 0.02 0.00 0.00 177.10 176.38 3gdp s SER 151 N -3.41 6.71 -0.03 -1.22 1.04 -1.26 -5.03 113.70 110.49 3gdp s SER 151 Ca 0.60 2.07 0.00 0.00 0.48 0.00 0.00 55.95 59.10 3gdp s SER 151 Cb -0.15 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.41 3gdp s SER 151 CO 0.49 -0.53 0.01 -1.10 0.98 0.00 0.00 173.24 173.08 3gdp s GLN 152 N -2.50 0.27 0.17 4.02 -0.21 -1.26 -5.07 119.66 115.08 3gdp s GLN 152 Ca 0.58 0.10 -0.23 0.00 0.02 0.00 0.00 55.36 55.82 3gdp s GLN 152 Cb -0.23 -0.48 0.06 0.00 1.00 0.00 0.00 33.01 33.37 3gdp s GLN 152 CO 0.29 -0.15 1.59 1.03 -2.12 0.00 0.00 175.29 175.92 3gdp h SER 153 N 7.34 -1.22 -0.35 5.90 0.87 -1.96 -0.05 113.55 124.08 3gdp h SER 153 Ca -0.41 0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 3gdp h SER 153 Cb 1.13 0.57 -0.02 0.00 -0.44 0.00 0.00 62.40 63.64 3gdp h SER 153 CO 0.45 -0.33 0.06 -0.25 -0.53 0.00 0.00 176.83 176.24 3gdp h TRP 154 N -0.24 0.69 -0.26 2.24 2.91 -1.96 -0.41 115.95 118.92 3gdp h TRP 154 Ca 0.18 -0.06 -0.10 0.00 1.13 0.00 0.00 58.89 60.04 3gdp h TRP 154 Cb 0.56 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 3gdp h TRP 154 CO -0.60 0.62 -0.26 1.96 -1.03 0.00 0.00 178.44 179.12 3gdp h GLN 155 N 0.64 0.50 -0.39 2.65 1.08 -1.71 -1.22 115.11 116.67 3gdp h GLN 155 Ca 0.14 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 57.02 3gdp h GLN 155 Cb 0.31 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3gdp h GLN 155 CO 0.00 0.72 -0.26 0.77 -0.95 0.00 0.00 178.83 179.11 3gdp h SER 156 N 0.44 0.85 -0.54 1.46 0.02 -0.28 -0.01 113.55 115.49 3gdp h SER 156 Ca 0.06 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3gdp h SER 156 Cb 0.69 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3gdp h SER 156 CO 0.05 1.06 0.26 0.58 -1.14 0.00 0.00 176.83 177.64 3gdp h VAL 157 N 0.70 1.20 -0.83 2.27 2.07 -0.72 -1.45 116.25 119.50 3gdp h VAL 157 Ca 0.09 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3gdp h VAL 157 Cb 0.80 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3gdp h VAL 157 CO 0.07 0.22 0.46 0.74 0.02 0.00 0.00 177.57 179.08 3gdp h THR 158 N 0.72 1.24 -0.78 2.57 2.02 -0.93 -1.32 112.91 116.44 3gdp h THR 158 Ca 0.19 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3gdp h THR 158 Cb 0.12 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 3gdp h THR 158 CO -0.02 0.27 0.46 0.50 0.37 0.00 0.00 175.52 177.10 3gdp h LYS 159 N 1.16 1.07 -0.27 6.66 3.64 -0.54 -0.67 116.57 127.61 3gdp h LYS 159 Ca 0.29 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3gdp h LYS 159 Cb 0.03 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3gdp h LYS 159 CO -0.05 0.76 -0.19 1.79 -2.27 0.00 0.00 179.45 179.49 3gdp h THR 160 N 1.07 1.25 -0.24 1.00 1.35 -0.68 -1.98 112.91 114.69 3gdp h THR 160 Ca 0.28 -1.15 -0.05 0.00 -0.55 0.00 0.00 66.41 64.94 3gdp h THR 160 Cb -0.03 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3gdp h THR 160 CO -0.05 0.37 -0.05 0.00 -0.25 0.00 0.00 175.52 175.53 3gdp h ALA 161 N 1.36 0.33 -0.50 6.62 0.00 -0.59 -1.16 119.26 125.32 3gdp h ALA 161 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3gdp h ALA 161 Cb 0.59 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3gdp h ALA 161 CO 0.04 0.12 0.33 0.74 0.00 0.00 0.00 179.25 180.47 3gdp h PHE 162 N 0.20 0.62 -0.45 0.00 0.05 -0.96 -0.04 116.94 116.36 3gdp h PHE 162 Ca 0.06 0.02 -0.09 0.00 3.82 0.00 0.00 57.97 61.78 3gdp h PHE 162 Cb 0.51 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.24 3gdp h PHE 162 CO 0.05 0.38 -0.07 -0.07 -0.18 0.00 0.00 178.31 178.42 3gdp h LEU 163 N 0.66 0.76 -0.90 1.54 3.38 -1.30 -1.33 115.31 118.13 3gdp h LEU 163 Ca 0.19 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3gdp h LEU 163 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3gdp h LEU 163 CO -0.05 0.87 -0.39 -0.08 0.09 0.00 0.00 178.44 178.89 3gdp h GLU 164 N 0.72 0.33 -0.53 1.13 4.81 -0.88 -2.89 114.58 117.26 3gdp h GLU 164 Ca 0.13 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3gdp h GLU 164 Cb 0.54 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3gdp h GLU 164 CO 0.03 0.67 0.00 0.00 -0.73 0.00 0.00 179.01 178.98 3gdp n ALA 165 N -2.48 2.67 -1.05 2.92 0.00 -0.06 -4.91 120.51 117.60 3gdp n ALA 165 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 53.44 52.98 3gdp n ALA 165 Cb 0.47 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 3gdp n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdp n GLY 166 N 0.51 0.54 3.53 0.00 0.00 -1.07 -4.95 105.19 103.73 3gdp n GLY 166 Ca 0.07 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3gdp n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdp s VAL 167 N -1.99 4.33 0.26 1.61 1.01 -0.55 -4.94 120.40 120.13 3gdp s VAL 167 Ca 0.00 -1.54 0.10 0.00 0.00 0.00 0.00 61.98 60.54 3gdp s VAL 167 Cb 0.00 -5.01 -0.04 0.00 0.00 0.00 0.00 36.38 31.33 3gdp s VAL 167 CO 0.00 -1.82 -0.04 -1.00 0.00 0.00 0.00 175.10 172.24 3gdp s HIS 168 N 3.74 2.64 0.39 5.22 3.76 -1.26 -2.90 115.29 126.88 3gdp s HIS 168 Ca 0.45 -0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 55.09 3gdp s HIS 168 Cb -0.00 -1.18 0.08 0.00 1.11 0.00 0.00 32.58 32.59 3gdp s HIS 168 CO -0.04 0.62 0.53 -0.35 -0.85 0.00 0.00 174.74 174.66 3gdp n PRO 169 N -0.74 -0.13 -3.47 8.40 -0.04 -1.26 -3.54 135.00 134.23 3gdp n PRO 169 Ca -0.07 -1.12 -0.37 0.00 -0.04 0.00 0.00 63.50 61.90 3gdp n PRO 169 Cb 0.59 -0.46 -0.07 0.00 -0.04 0.00 0.00 33.50 33.52 3gdp n PRO 169 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3gdp s ASN 170 N -3.05 6.45 0.00 3.54 2.47 -1.26 -0.86 114.94 122.22 3gdp s ASN 170 Ca 0.33 0.53 0.21 0.00 0.42 0.00 0.00 52.86 54.35 3gdp s ASN 170 Cb -0.01 -2.21 0.19 0.00 -1.45 0.00 0.00 41.25 37.76 3gdp s ASN 170 CO 0.22 0.03 1.19 1.41 -3.72 0.00 0.00 177.10 176.23 3gdp n HIS 171 N 3.92 0.03 -2.17 0.43 8.25 0.33 -4.96 115.22 121.06 3gdp n HIS 171 Ca -0.10 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3gdp n HIS 171 Cb 0.52 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3gdp n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gdp n GLY 172 N 1.22 2.21 3.61 -1.41 0.00 -1.26 -4.35 105.19 105.21 3gdp n GLY 172 Ca 0.13 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3gdp n GLY 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gdp s PHE 173 N 0.00 3.26 -0.19 1.61 5.36 -1.26 -0.92 117.98 125.83 3gdp s PHE 173 Ca 0.00 0.37 -0.21 0.00 -0.96 0.00 0.00 56.93 56.12 3gdp s PHE 173 Cb 0.00 -2.51 0.06 0.00 -0.34 0.00 0.00 43.02 40.23 3gdp s PHE 173 CO 0.00 -0.17 0.59 0.45 -1.46 0.00 0.00 175.22 174.63 3gdp s SER 174 N 1.55 -0.60 0.19 6.13 0.15 -0.33 -4.95 113.70 115.84 3gdp s SER 174 Ca 0.13 1.09 0.24 0.00 0.70 0.00 0.00 55.95 58.11 3gdp s SER 174 Cb -0.16 1.10 0.37 0.00 -1.71 0.00 0.00 66.02 65.62 3gdp s SER 174 CO 0.09 -0.26 1.39 -0.07 1.20 0.00 0.00 173.24 175.60 3gdp h LEU 175 N 4.90 0.00 -9.65 3.45 3.38 -1.91 -3.36 115.31 112.12 3gdp h LEU 175 Ca -0.28 -0.11 -0.51 0.00 0.09 0.00 0.00 57.88 57.07 3gdp h LEU 175 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3gdp h LEU 175 CO 0.17 0.05 0.42 -1.81 0.09 0.00 0.00 178.44 177.36 3gdp s ASP 176 N -4.75 7.41 -0.72 -0.43 1.01 -1.26 -0.86 116.67 117.07 3gdp s ASP 176 Ca 0.06 1.98 -0.26 0.00 0.71 0.00 0.00 52.55 55.03 3gdp s ASP 176 Cb 0.11 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.45 3gdp s ASP 176 CO 0.70 -0.10 1.58 -2.28 0.21 0.00 0.00 175.17 175.28 3gdp s HIS 177 N -0.35 2.01 0.04 4.23 5.65 -1.21 -4.91 115.29 120.74 3gdp s HIS 177 Ca 0.47 0.29 0.02 0.00 0.25 0.00 0.00 55.06 56.08 3gdp s HIS 177 Cb -0.27 -4.37 -0.02 0.00 -1.18 0.00 0.00 32.58 26.74 3gdp s HIS 177 CO 0.33 -2.14 -0.07 -1.21 -0.65 0.00 0.00 174.74 171.00 3gdp s GLU 178 N 6.31 0.48 0.28 2.88 2.02 -1.26 -4.59 118.70 124.83 3gdp s GLU 178 Ca 0.52 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 3gdp s GLU 178 Cb -0.09 -0.22 -0.13 0.00 0.10 0.00 0.00 34.13 33.79 3gdp s GLU 178 CO 0.14 0.03 1.38 -1.91 0.02 0.00 0.00 175.26 174.93 3gdp n GLU 179 N 1.54 2.14 0.00 1.61 2.13 -1.26 -4.64 120.64 122.16 3gdp n GLU 179 Ca -0.23 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.35 3gdp n GLU 179 Cb 0.55 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.86 3gdp n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gdp n GLY 180 N 1.66 0.32 3.72 8.31 0.00 0.42 -4.09 105.19 115.52 3gdp n GLY 180 Ca 0.09 -2.31 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 3gdp n GLY 180 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdp s THR 181 N -0.17 4.48 0.25 2.61 2.01 -0.04 -0.66 115.64 124.11 3gdp s THR 181 Ca 0.00 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.53 3gdp s THR 181 Cb 0.00 -2.92 0.03 0.00 0.01 0.00 0.00 72.50 69.62 3gdp s THR 181 CO 0.00 0.56 0.72 0.00 -0.69 0.00 0.00 174.62 175.21 3gdp s ARG 182 N -1.06 1.65 -0.22 4.92 1.70 -0.87 -0.51 118.95 124.56 3gdp s ARG 182 Ca 0.15 -0.87 -0.06 0.00 -0.47 0.00 0.00 55.73 54.48 3gdp s ARG 182 Cb -0.11 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 3gdp s ARG 182 CO 0.05 -0.75 0.02 0.42 -1.08 0.00 0.00 175.30 173.96 3gdp s ILE 183 N -3.83 4.10 0.30 4.99 1.01 -0.10 -1.16 121.20 126.51 3gdp s ILE 183 Ca 0.09 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.52 3gdp s ILE 183 Cb -0.05 -2.87 0.04 0.00 0.01 0.00 0.00 42.46 39.59 3gdp s ILE 183 CO 0.03 0.40 0.32 1.07 0.00 0.00 0.00 174.94 176.76 3gdp n THR 184 N 4.44 0.00 -2.11 2.92 5.66 0.03 -1.19 114.28 124.04 3gdp n THR 184 Ca -0.17 -1.11 -0.27 0.00 -3.05 0.00 0.00 64.05 59.46 3gdp n THR 184 Cb 0.52 -0.48 0.07 0.00 -1.55 0.00 0.00 70.33 68.89 3gdp n THR 184 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3gdp s GLY 185 N -3.18 1.65 0.02 1.09 0.00 -1.15 -4.54 107.32 101.21 3gdp s GLY 185 Ca 0.24 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 3gdp s GLY 185 CO 0.15 -0.38 0.05 -0.45 0.00 0.00 0.00 173.10 172.47 3gdp s SER 186 N -4.51 0.18 0.00 1.64 0.15 -0.83 -1.02 113.70 109.31 3gdp s SER 186 Ca 0.60 -0.46 0.24 0.00 0.70 0.00 0.00 55.95 57.04 3gdp s SER 186 Cb -0.11 0.17 0.99 0.00 -1.71 0.00 0.00 66.02 65.36 3gdp s SER 186 CO 0.46 -0.39 1.70 0.35 1.20 0.00 0.00 173.24 176.56 3gdp n THR 187 N 1.26 0.09 -3.60 6.45 -2.24 0.72 -0.91 114.28 116.06 3gdp n THR 187 Ca -0.22 -0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 3gdp n THR 187 Cb 0.56 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 3gdp n THR 187 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3gdp s PHE 188 N -1.91 3.51 0.87 4.78 0.40 -1.26 -0.76 117.98 123.62 3gdp s PHE 188 Ca 0.36 0.62 -0.08 0.00 -0.60 0.00 0.00 56.93 57.22 3gdp s PHE 188 Cb 0.19 -2.26 0.19 0.00 0.51 0.00 0.00 43.02 41.64 3gdp s PHE 188 CO 0.30 0.37 1.19 0.16 0.70 0.00 0.00 175.22 177.93 3gdp s ASP 189 N 0.03 3.51 0.00 1.36 1.47 -0.26 -4.66 116.67 118.12 3gdp s ASP 189 Ca 0.17 -0.20 0.05 0.00 1.18 0.00 0.00 52.55 53.74 3gdp s ASP 189 Cb -0.13 0.09 0.23 0.00 -0.34 0.00 0.00 42.92 42.77 3gdp s ASP 189 CO 0.05 -2.45 1.00 0.59 0.68 0.00 0.00 175.17 175.04 3gdp n ASN 190 N -3.37 0.00 -0.60 2.11 4.13 -1.26 -0.67 115.26 115.60 3gdp n ASN 190 Ca 0.17 0.25 0.07 0.00 1.68 0.00 0.00 54.58 56.75 3gdp n ASN 190 Cb 0.60 -0.31 0.09 0.00 -1.54 0.00 0.00 39.78 38.62 3gdp n ASN 190 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3gdp n LYS 191 N -1.31 1.41 -0.62 3.52 5.02 -1.26 -4.95 118.16 119.98 3gdp n LYS 191 Ca 0.02 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 3gdp n LYS 191 Cb 0.04 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3gdp n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdp n GLY 192 N 0.75 0.75 3.71 0.72 0.00 0.15 -4.97 105.19 106.30 3gdp n GLY 192 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3gdp n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdp s THR 193 N -2.58 4.39 0.06 2.61 2.01 -1.26 -0.49 115.64 120.38 3gdp s THR 193 Ca 0.00 1.72 -0.27 0.00 0.31 0.00 0.00 61.69 63.44 3gdp s THR 193 Cb 0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 3gdp s THR 193 CO 0.00 0.13 0.87 -0.60 -0.69 0.00 0.00 174.62 174.32 3gdp s ARG 194 N 1.08 4.58 0.08 4.92 3.52 -0.21 -1.10 118.95 131.82 3gdp s ARG 194 Ca 0.56 1.25 0.08 0.00 -0.13 0.00 0.00 55.73 57.49 3gdp s ARG 194 Cb -0.26 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 3gdp s ARG 194 CO 0.28 0.20 -0.20 -1.01 -0.81 0.00 0.00 175.30 173.76 3gdp s HIS 195 N 0.16 2.50 0.16 5.12 3.76 0.06 -4.75 115.29 122.31 3gdp s HIS 195 Ca 0.43 -0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 55.03 3gdp s HIS 195 Cb -0.21 -1.39 0.01 0.00 1.11 0.00 0.00 32.58 32.10 3gdp s HIS 195 CO 0.26 0.30 0.26 0.00 -0.85 0.00 0.00 174.74 174.70 3gdp n ALA 196 N 1.23 -0.33 0.05 -1.40 0.00 -1.26 -4.71 120.51 114.09 3gdp n ALA 196 Ca -0.16 -0.69 0.16 0.00 0.00 0.00 0.00 53.44 52.75 3gdp n ALA 196 Cb 0.52 0.55 0.65 0.00 0.00 0.00 0.00 19.45 21.18 3gdp n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gdp h ALA 197 N 1.79 2.32 -0.47 0.00 0.00 -1.85 -1.98 119.26 119.06 3gdp h ALA 197 Ca -0.13 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gdp h ALA 197 Cb 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3gdp h ALA 197 CO 0.17 -0.43 0.31 0.38 0.00 0.00 0.00 179.25 179.68 3gdp h ASP 198 N 0.05 0.48 0.73 0.00 2.03 -1.85 -1.02 116.42 116.84 3gdp h ASP 198 Ca 0.19 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 3gdp h ASP 198 Cb 0.71 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 3gdp h ASP 198 CO -0.01 0.34 0.00 -0.33 -1.03 0.00 0.00 179.24 178.21 3gdp h GLU 199 N 0.56 0.00 0.00 4.15 5.08 -1.62 -1.46 114.58 121.28 3gdp h GLU 199 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gdp h GLU 199 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3gdp h GLU 199 CO -0.05 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.24 3gdp n LEU 200 N -2.97 0.52 0.23 1.33 4.77 -0.39 -1.79 117.00 118.71 3gdp n LEU 200 Ca -0.00 0.61 0.10 0.00 -0.03 0.00 0.00 56.01 56.69 3gdp n LEU 200 Cb 0.24 -0.52 0.57 0.00 -2.33 0.00 0.00 43.42 41.38 3gdp n LEU 200 CO 0.24 -0.41 0.87 -0.07 -1.33 0.00 0.00 177.39 176.69 3gdp h LEU 201 N 0.00 0.00 -1.04 2.23 3.38 -1.37 -2.04 115.31 116.48 3gdp h LEU 201 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gdp h LEU 201 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3gdp h LEU 201 CO 0.00 0.21 0.00 0.78 0.09 0.00 0.00 178.44 179.52 3gdp h ASN 202 N 0.00 0.00 0.64 -0.43 2.35 -1.53 -1.40 115.58 115.22 3gdp h ASN 202 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gdp h ASN 202 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3gdp h ASN 202 CO 0.03 0.00 -0.20 0.29 -1.65 0.00 0.00 177.43 175.90 3gdp n LYS 203 N -2.37 0.20 -2.16 0.81 4.76 -0.76 -4.88 118.16 113.76 3gdp n LYS 203 Ca 0.01 -0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 55.11 3gdp n LYS 203 Cb 0.19 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 32.02 3gdp n LYS 203 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3gdp s GLY 204 N -2.85 1.75 -0.29 0.72 0.00 -0.53 -4.86 107.32 101.27 3gdp s GLY 204 Ca 0.17 -1.29 -0.21 0.00 0.00 0.00 0.00 44.72 43.39 3gdp s GLY 204 CO 0.57 -0.65 0.66 0.21 0.00 0.00 0.00 173.10 173.90 3gdp s ASN 205 N -4.78 6.56 0.00 1.64 3.84 -1.26 -4.94 114.94 116.01 3gdp s ASN 205 Ca 0.69 0.58 0.06 0.00 0.21 0.00 0.00 52.86 54.40 3gdp s ASN 205 Cb -0.06 -2.35 0.28 0.00 -0.55 0.00 0.00 41.25 38.57 3gdp s ASN 205 CO 0.49 -0.47 1.11 -1.54 -2.79 0.00 0.00 177.10 173.90 3gdp n SER 206 N 5.88 0.00 -0.00 -4.21 3.41 -1.26 -1.35 113.62 116.09 3gdp n SER 206 Ca 0.00 0.34 0.08 0.00 -0.26 0.00 0.00 58.87 59.04 3gdp n SER 206 Cb 0.49 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 3gdp n SER 206 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gdp n ASN 207 N -1.39 0.84 -0.00 4.04 4.05 -1.26 -4.53 115.26 117.02 3gdp n ASN 207 Ca 0.02 -0.90 0.03 0.00 0.45 0.00 0.00 54.58 54.17 3gdp n ASN 207 Cb 0.06 1.02 -0.04 0.00 1.23 0.00 0.00 39.78 42.05 3gdp n ASN 207 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3gdp n ASN 208 N -1.44 3.28 -4.65 1.20 3.02 -0.52 -5.02 115.26 111.13 3gdp n ASN 208 Ca 0.03 -0.09 -0.35 0.00 -0.03 0.00 0.00 54.58 54.14 3gdp n ASN 208 Cb 0.28 1.20 -0.10 0.00 -0.61 0.00 0.00 39.78 40.56 3gdp n ASN 208 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gdp s LEU 209 N -3.18 3.82 -0.04 3.41 2.96 -0.46 -1.03 118.68 124.16 3gdp s LEU 209 Ca -0.01 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 3gdp s LEU 209 Cb 0.03 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.77 3gdp s LEU 209 CO 0.21 0.20 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.19 3gdp s ARG 210 N 0.21 1.33 -0.10 1.98 0.52 -0.47 -4.83 118.95 117.59 3gdp s ARG 210 Ca 0.04 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.89 3gdp s ARG 210 Cb -0.12 -1.18 -0.01 0.00 0.52 0.00 0.00 34.95 34.16 3gdp s ARG 210 CO 0.00 0.12 -0.22 0.08 0.02 0.00 0.00 175.30 175.31 3gdp s VAL 211 N 0.28 2.28 -0.14 3.52 1.01 -0.35 -1.09 120.40 125.90 3gdp s VAL 211 Ca -0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 3gdp s VAL 211 Cb -0.11 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3gdp s VAL 211 CO 0.02 0.56 -0.12 -0.83 0.00 0.00 0.00 175.10 174.72 3gdp s GLY 212 N 0.21 1.56 0.32 4.51 0.00 0.96 -0.06 107.32 114.81 3gdp s GLY 212 Ca -0.14 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 43.75 3gdp s GLY 212 CO 0.07 -0.12 0.18 -1.34 0.00 0.00 0.00 173.10 171.89 3gdp s VAL 213 N 0.46 3.36 -1.46 1.40 -7.23 0.15 -0.74 120.40 116.34 3gdp s VAL 213 Ca -0.09 -1.59 -0.08 0.00 -1.81 0.00 0.00 61.98 58.41 3gdp s VAL 213 Cb -0.16 -3.07 0.02 0.00 0.56 0.00 0.00 36.38 33.74 3gdp s VAL 213 CO 0.04 -0.22 0.90 1.41 -0.31 0.00 0.00 175.10 176.93 3gdp n HIS 214 N -1.19 -2.41 -3.96 2.82 8.25 -0.31 -1.26 115.22 117.16 3gdp n HIS 214 Ca -0.03 0.79 -0.34 0.00 -0.26 0.00 0.00 57.72 57.88 3gdp n HIS 214 Cb 0.60 -4.57 -0.14 0.00 1.12 0.00 0.00 29.99 27.00 3gdp n HIS 214 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gdp s ALA 215 N -3.24 2.81 -0.50 -1.41 0.00 0.05 -4.17 121.76 115.29 3gdp s ALA 215 Ca 0.48 -2.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 3gdp s ALA 215 Cb -0.22 -1.91 0.05 0.00 0.00 0.00 0.00 23.12 21.04 3gdp s ALA 215 CO 0.60 -1.40 0.69 0.45 0.00 0.00 0.00 175.76 176.09 3gdp s SER 216 N 1.23 6.26 -0.27 0.00 0.15 -0.75 -2.12 113.70 118.20 3gdp s SER 216 Ca -0.01 -0.70 -0.29 0.00 0.70 0.00 0.00 55.95 55.64 3gdp s SER 216 Cb -0.20 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 3gdp s SER 216 CO -0.04 -0.93 1.13 -0.69 1.20 0.00 0.00 173.24 173.91 3gdp s VAL 217 N 2.91 4.46 -0.12 4.45 1.01 -1.26 -0.67 120.40 131.18 3gdp s VAL 217 Ca 0.19 1.72 0.19 0.00 0.00 0.00 0.00 61.98 64.08 3gdp s VAL 217 Cb -0.17 -4.28 -0.28 0.00 0.00 0.00 0.00 36.38 31.65 3gdp s VAL 217 CO 0.15 -0.34 0.24 -0.62 0.00 0.00 0.00 175.10 174.52 3gdp n GLU 218 N 6.75 0.75 -3.57 2.72 1.02 -0.00 -4.95 120.64 123.36 3gdp n GLU 218 Ca 0.13 -0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 3gdp n GLU 218 Cb 0.46 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 3gdp n GLU 218 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3gdp s LYS 219 N -2.90 0.86 -0.02 3.49 2.20 -1.19 -4.75 119.74 117.44 3gdp s LYS 219 Ca -0.09 0.44 -0.16 0.00 -0.36 0.00 0.00 55.97 55.81 3gdp s LYS 219 Cb 0.09 0.41 -0.05 0.00 -1.51 0.00 0.00 37.83 36.77 3gdp s LYS 219 CO 0.82 -0.22 0.43 0.42 -0.36 0.00 0.00 175.35 176.45 3gdp s ILE 220 N -0.66 5.03 -0.09 5.43 1.01 -1.26 -0.97 121.20 129.69 3gdp s ILE 220 Ca -0.05 0.89 -0.11 0.00 0.00 0.00 0.00 60.65 61.38 3gdp s ILE 220 Cb -0.02 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3gdp s ILE 220 CO 0.05 0.53 0.25 -0.63 0.00 0.00 0.00 174.94 175.13 3gdp s ILE 221 N -0.73 5.32 0.33 2.92 1.01 0.73 -4.92 121.20 125.86 3gdp s ILE 221 Ca 0.24 0.46 0.05 0.00 0.00 0.00 0.00 60.65 61.41 3gdp s ILE 221 Cb -0.17 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 3gdp s ILE 221 CO 0.13 0.56 0.01 -0.36 0.00 0.00 0.00 174.94 175.29 3gdp s PHE 222 N -0.75 2.11 0.09 3.97 0.40 -1.26 -0.41 117.98 122.13 3gdp s PHE 222 Ca 0.18 -0.81 -0.26 0.00 -0.60 0.00 0.00 56.93 55.44 3gdp s PHE 222 Cb -0.14 -1.37 0.08 0.00 0.51 0.00 0.00 43.02 42.11 3gdp s PHE 222 CO 0.07 0.20 0.88 -1.54 0.70 0.00 0.00 175.22 175.53 3gdp s SER 223 N -3.53 -0.30 -0.43 1.36 1.04 -0.40 -4.84 113.70 106.59 3gdp s SER 223 Ca 0.34 -0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.49 3gdp s SER 223 Cb 0.08 0.46 0.09 0.00 0.10 0.00 0.00 66.02 66.74 3gdp s SER 223 CO 0.15 -0.80 0.28 0.20 0.98 0.00 0.00 173.24 174.06 3gdp s ASN 224 N -2.71 5.67 -0.46 7.02 0.02 -1.26 0.07 114.94 123.29 3gdp s ASN 224 Ca 0.08 -1.59 0.09 0.00 -1.02 0.00 0.00 52.86 50.42 3gdp s ASN 224 Cb -0.01 -2.00 0.35 0.00 0.02 0.00 0.00 41.25 39.61 3gdp s ASN 224 CO -0.04 -0.58 0.85 0.00 0.02 0.00 0.00 177.10 177.35 3gdp n ALA 225 N 4.93 3.35 0.09 0.60 0.00 -1.26 -4.58 120.51 123.64 3gdp n ALA 225 Ca -0.10 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.36 3gdp n ALA 225 Cb 0.42 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3gdp n ALA 225 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gdp h PRO 226 N 2.97 0.00 -7.32 0.00 0.13 -2.03 -3.50 132.00 122.25 3gdp h PRO 226 Ca 0.11 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.76 3gdp h PRO 226 Cb 0.78 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.98 3gdp h PRO 226 CO 0.65 0.47 0.29 0.20 -0.23 0.00 0.00 178.00 179.38 3gdp s GLY 227 N -4.63 1.62 -0.02 1.56 0.00 -1.26 -4.96 107.32 99.63 3gdp s GLY 227 Ca 0.01 -0.61 -0.33 0.00 0.00 0.00 0.00 44.72 43.78 3gdp s GLY 227 CO 0.78 -0.26 1.85 -0.10 0.00 0.00 0.00 173.10 175.37 3gdp n LEU 228 N -2.85 3.54 -3.86 0.66 7.94 -1.26 -4.11 117.00 117.06 3gdp n LEU 228 Ca 0.06 0.98 -0.12 0.00 -1.11 0.00 0.00 56.01 55.82 3gdp n LEU 228 Cb 0.58 -1.41 -0.13 0.00 0.53 0.00 0.00 43.42 42.99 3gdp n LEU 228 CO 0.55 -0.03 -0.29 -0.89 -1.11 0.00 0.00 177.39 175.62 3gdp s THR 229 N 3.61 0.02 0.02 1.96 2.01 0.11 -1.19 115.64 122.18 3gdp s THR 229 Ca 0.90 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 3gdp s THR 229 Cb -0.64 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 3gdp s THR 229 CO 0.47 -0.08 0.99 0.00 -0.69 0.00 0.00 174.62 175.31 3gdp s ALA 230 N -0.24 3.18 -0.23 7.40 0.00 -0.32 -1.28 121.76 130.28 3gdp s ALA 230 Ca -0.03 0.56 0.08 0.00 0.00 0.00 0.00 51.96 52.57 3gdp s ALA 230 Cb -0.02 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 3gdp s ALA 230 CO 0.00 -0.22 0.27 0.25 0.00 0.00 0.00 175.76 176.07 3gdp n THR 231 N 3.76 0.00 -3.60 0.00 -2.24 0.46 -4.76 114.28 107.89 3gdp n THR 231 Ca 0.06 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3gdp n THR 231 Cb 0.50 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3gdp n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdp n GLY 232 N 1.51 -0.78 3.18 3.38 0.00 -1.21 -1.35 105.19 109.92 3gdp n GLY 232 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 3gdp n GLY 232 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gdp s VAL 233 N -3.00 0.16 -0.15 1.61 -7.23 -0.37 -0.19 120.40 111.22 3gdp s VAL 233 Ca 0.00 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 3gdp s VAL 233 Cb 0.00 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 3gdp s VAL 233 CO 0.00 -0.73 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.35 3gdp s ILE 234 N -3.89 3.44 0.11 -0.62 1.01 -0.15 -1.99 121.20 119.12 3gdp s ILE 234 Ca 0.07 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.24 3gdp s ILE 234 Cb 0.06 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 3gdp s ILE 234 CO -0.10 0.50 -0.10 -0.72 0.00 0.00 0.00 174.94 174.52 3gdp s TYR 235 N 0.47 1.13 0.05 3.97 -0.85 -0.71 -0.82 117.35 120.59 3gdp s TYR 235 Ca -0.06 -0.69 0.09 0.00 -0.52 0.00 0.00 57.07 55.89 3gdp s TYR 235 Cb -0.15 -0.61 -0.03 0.00 0.38 0.00 0.00 41.96 41.56 3gdp s TYR 235 CO 0.04 0.02 -0.25 0.50 -1.52 0.00 0.00 175.55 174.34 3gdp s ARG 236 N -3.08 1.67 0.61 -3.49 3.52 0.16 0.11 118.95 118.44 3gdp s ARG 236 Ca 0.09 -1.10 0.08 0.00 -0.13 0.00 0.00 55.73 54.67 3gdp s ARG 236 Cb -0.01 -1.87 0.10 0.00 -1.56 0.00 0.00 34.95 31.61 3gdp s ARG 236 CO 0.00 0.48 0.84 0.16 -0.81 0.00 0.00 175.30 175.97 3gdp s ASP 237 N -1.31 4.93 0.21 -2.12 1.47 -0.70 -1.80 116.67 117.34 3gdp s ASP 237 Ca 0.11 -0.79 0.17 0.00 1.18 0.00 0.00 52.55 53.21 3gdp s ASP 237 Cb -0.10 0.31 0.83 0.00 -0.34 0.00 0.00 42.92 43.62 3gdp s ASP 237 CO 0.02 -1.47 1.52 -1.54 0.68 0.00 0.00 175.17 174.38 3gdp n SER 238 N -2.37 0.42 -0.09 2.11 3.41 -1.26 -1.00 113.62 114.84 3gdp n SER 238 Ca 0.16 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 3gdp n SER 238 Cb 0.62 -0.73 0.24 0.00 -0.26 0.00 0.00 64.21 64.07 3gdp n SER 238 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gdp n ASN 239 N -2.03 0.78 0.00 4.04 3.02 -1.26 -4.92 115.26 114.89 3gdp n ASN 239 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 3gdp n ASN 239 Cb 0.08 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 3gdp n ASN 239 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gdp n GLY 240 N 1.45 0.73 3.69 7.41 0.00 -0.17 -5.04 105.19 113.26 3gdp n GLY 240 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3gdp n GLY 240 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdp s THR 241 N -2.56 4.80 0.10 2.61 2.01 -1.26 -4.79 115.64 116.55 3gdp s THR 241 Ca 0.00 2.00 -0.22 0.00 0.31 0.00 0.00 61.69 63.78 3gdp s THR 241 Cb 0.00 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.14 3gdp s THR 241 CO 0.00 0.02 0.66 -2.16 -0.69 0.00 0.00 174.62 172.45 3gdp s PRO 242 N 1.96 4.37 0.38 4.92 0.04 -1.26 -1.72 135.00 143.69 3gdp s PRO 242 Ca 0.47 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.51 3gdp s PRO 242 Cb -0.18 -3.27 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 3gdp s PRO 242 CO 0.18 0.56 -0.03 -1.01 0.04 0.00 0.00 177.00 176.73 3gdp s HIS 243 N -0.94 2.46 -0.01 0.56 3.76 0.12 -4.97 115.29 116.26 3gdp s HIS 243 Ca 0.32 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 3gdp s HIS 243 Cb -0.21 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 31.87 3gdp s HIS 243 CO 0.22 0.50 -0.06 -0.65 -0.85 0.00 0.00 174.74 173.89 3gdp s GLN 244 N -3.67 0.54 -0.11 1.40 -0.21 0.01 -1.74 119.66 115.86 3gdp s GLN 244 Ca 0.34 -0.22 -0.00 0.00 0.02 0.00 0.00 55.36 55.50 3gdp s GLN 244 Cb 0.07 -0.52 0.02 0.00 1.00 0.00 0.00 33.01 33.58 3gdp s GLN 244 CO 0.17 0.12 -0.09 0.00 -2.12 0.00 0.00 175.29 173.38 3gdp s ALA 245 N -0.08 1.39 0.24 6.09 0.00 -0.84 -1.23 121.76 127.32 3gdp s ALA 245 Ca 0.02 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.48 3gdp s ALA 245 Cb -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3gdp s ALA 245 CO -0.00 -0.38 0.05 -0.06 0.00 0.00 0.00 175.76 175.36 3gdp s PHE 246 N 1.62 2.83 0.03 0.00 0.40 -0.17 -1.24 117.98 121.44 3gdp s PHE 246 Ca 0.04 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.23 3gdp s PHE 246 Cb -0.13 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 3gdp s PHE 246 CO -0.08 0.57 -0.06 0.14 0.70 0.00 0.00 175.22 176.50 3gdp s VAL 247 N -2.14 3.68 0.80 -0.44 -7.23 -0.45 -0.43 120.40 114.18 3gdp s VAL 247 Ca 0.31 -0.86 -0.04 0.00 -1.81 0.00 0.00 61.98 59.58 3gdp s VAL 247 Cb -0.07 -2.64 0.16 0.00 0.56 0.00 0.00 36.38 34.39 3gdp s VAL 247 CO 0.21 0.32 1.09 -0.13 -0.31 0.00 0.00 175.10 176.28 3gdp s ARG 248 N -1.64 1.31 0.09 4.82 0.52 0.38 -4.89 118.95 119.54 3gdp s ARG 248 Ca 0.19 -1.06 -0.36 0.00 -0.52 0.00 0.00 55.73 53.98 3gdp s ARG 248 Cb -0.11 -2.22 -0.18 0.00 0.52 0.00 0.00 34.95 32.97 3gdp s ARG 248 CO 0.10 -1.76 1.12 0.45 0.02 0.00 0.00 175.30 175.23 3gdp n SER 249 N -3.09 0.73 0.00 0.23 2.88 -1.26 -0.20 113.62 112.91 3gdp n SER 249 Ca 0.16 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 3gdp n SER 249 Cb 0.60 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 3gdp n SER 249 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gdp n LYS 250 N 1.83 0.00 -1.94 -1.46 5.02 -1.26 -4.99 118.16 115.36 3gdp n LYS 250 Ca 0.18 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 3gdp n LYS 250 Cb 0.17 -2.66 0.10 0.00 -0.02 0.00 0.00 35.03 32.63 3gdp n LYS 250 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gdp s GLY 251 N -2.00 1.63 0.08 0.72 0.00 0.72 -5.07 107.32 103.40 3gdp s GLY 251 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 3gdp s GLY 251 CO 0.00 -0.25 0.18 -0.54 0.00 0.00 0.00 173.10 172.49 3gdp s GLU 252 N -5.59 0.81 -0.20 2.90 2.02 -0.79 -4.73 118.70 113.11 3gdp s GLU 252 Ca 0.64 -0.93 -0.08 0.00 0.02 0.00 0.00 54.97 54.62 3gdp s GLU 252 Cb -0.10 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 3gdp s GLU 252 CO 0.49 -0.25 0.09 0.08 0.02 0.00 0.00 175.26 175.69 3gdp s VAL 253 N -3.68 4.94 -0.12 2.63 1.01 -0.13 -2.29 120.40 122.76 3gdp s VAL 253 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3gdp s VAL 253 Cb 0.04 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.18 3gdp s VAL 253 CO -0.10 0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 174.62 3gdp s ILE 254 N 0.60 1.73 -0.26 2.22 1.01 -0.46 -1.58 121.20 124.46 3gdp s ILE 254 Ca 0.05 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 3gdp s ILE 254 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3gdp s ILE 254 CO 0.01 0.49 0.41 -0.69 0.00 0.00 0.00 174.94 175.16 3gdp s VAL 255 N 0.92 5.15 -0.29 2.92 1.01 -0.09 -1.18 120.40 128.83 3gdp s VAL 255 Ca -0.07 0.66 0.16 0.00 0.00 0.00 0.00 61.98 62.73 3gdp s VAL 255 Cb -0.15 -3.73 0.48 0.00 0.00 0.00 0.00 36.38 32.98 3gdp s VAL 255 CO -0.02 0.15 1.12 -1.20 0.00 0.00 0.00 175.10 175.15 3gdp n SER 256 N 5.30 2.90 -0.23 3.32 7.64 0.57 -1.54 113.62 131.59 3gdp n SER 256 Ca -0.07 -2.80 0.07 0.00 1.01 0.00 0.00 58.87 57.07 3gdp n SER 256 Cb 0.50 -0.44 0.30 0.00 -1.01 0.00 0.00 64.21 63.57 3gdp n SER 256 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gdp n ALA 257 N -0.56 2.53 0.00 -0.43 0.00 -0.98 -4.46 120.51 116.61 3gdp n ALA 257 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3gdp n ALA 257 Cb 0.85 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3gdp n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdp n GLY 258 N 0.83 -0.61 0.37 0.00 0.00 -1.26 -2.72 105.19 101.81 3gdp n GLY 258 Ca 0.10 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.57 3gdp n GLY 258 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gdp h THR 259 N 0.00 0.71 0.05 2.61 2.02 -1.85 0.96 112.91 117.41 3gdp h THR 259 Ca 0.00 -0.22 -0.26 0.00 0.77 0.00 0.00 66.41 66.70 3gdp h THR 259 Cb 0.00 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 3gdp h THR 259 CO 0.00 0.12 -1.38 0.40 0.37 0.00 0.00 175.52 175.03 3gdp h ILE 260 N 0.65 0.92 -0.11 3.11 1.08 -1.89 -3.39 117.51 117.88 3gdp h ILE 260 Ca 0.54 -2.26 -0.13 0.00 -0.39 0.00 0.00 64.86 62.62 3gdp h ILE 260 Cb 0.98 2.43 -0.01 0.00 -3.07 0.00 0.00 36.82 37.14 3gdp h ILE 260 CO -0.30 0.52 -0.51 1.23 -0.69 0.00 0.00 178.15 178.40 3gdp h GLY 261 N -0.38 0.33 0.60 5.37 0.00 -1.30 -3.14 103.07 104.55 3gdp h GLY 261 Ca -0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 3gdp h GLY 261 CO -0.09 0.32 -0.10 -0.84 0.00 0.00 0.00 176.54 175.84 3gdp h THR 262 N 0.24 0.88 -0.68 4.70 2.02 -0.87 -1.92 112.91 117.28 3gdp h THR 262 Ca 0.01 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3gdp h THR 262 Cb 0.98 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 3gdp h THR 262 CO 0.08 0.16 0.43 -0.65 0.37 0.00 0.00 175.52 175.92 3gdp h PRO 263 N -0.68 0.90 -0.28 6.66 0.11 -1.76 -1.47 132.00 135.48 3gdp h PRO 263 Ca -0.03 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.03 3gdp h PRO 263 Cb 0.48 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3gdp h PRO 263 CO 0.05 0.61 0.18 0.37 -0.21 0.00 0.00 178.00 178.99 3gdp h GLN 264 N 0.92 0.36 -0.66 1.05 4.15 -1.52 -0.95 115.11 118.46 3gdp h GLN 264 Ca 0.25 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 3gdp h GLN 264 Cb -0.08 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 3gdp h GLN 264 CO -0.05 0.24 0.09 1.25 -1.93 0.00 0.00 178.83 178.43 3gdp h LEU 265 N 0.37 1.06 -0.24 -2.39 5.85 -0.86 -1.05 115.31 118.04 3gdp h LEU 265 Ca 0.11 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3gdp h LEU 265 Cb -0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3gdp h LEU 265 CO -0.03 1.06 0.13 -0.07 -0.34 0.00 0.00 178.44 179.19 3gdp h LEU 266 N 1.02 0.30 -0.15 2.25 3.38 -1.04 -0.83 115.31 120.24 3gdp h LEU 266 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gdp h LEU 266 Cb 0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3gdp h LEU 266 CO 0.02 0.31 0.10 -0.07 0.09 0.00 0.00 178.44 178.89 3gdp h LEU 267 N 0.27 0.17 -2.53 1.67 3.38 -1.03 0.05 115.31 117.29 3gdp h LEU 267 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gdp h LEU 267 Cb 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gdp h LEU 267 CO -0.01 0.13 -0.02 -0.07 0.09 0.00 0.00 178.44 178.56 3gdp h LEU 268 N 0.20 0.00 -1.67 1.67 3.38 -1.00 -1.30 115.31 116.59 3gdp h LEU 268 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gdp h LEU 268 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gdp h LEU 268 CO -0.01 0.02 0.00 -1.20 0.09 0.00 0.00 178.44 177.34 3gdp n SER 269 N -3.49 2.51 0.00 -0.43 7.64 -0.34 -4.94 113.62 114.57 3gdp n SER 269 Ca -0.03 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.00 3gdp n SER 269 Cb 0.11 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 3gdp n SER 269 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gdp n GLY 270 N 1.30 0.63 3.13 0.23 0.00 -0.49 -4.65 105.19 105.35 3gdp n GLY 270 Ca 0.17 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 3gdp n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdp s VAL 271 N -2.00 3.12 -2.27 1.61 1.01 -0.08 -0.31 120.40 121.48 3gdp s VAL 271 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.11 3gdp s VAL 271 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3gdp s VAL 271 CO 0.00 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.20 3gdp n GLY 272 N 4.57 -1.01 3.67 4.51 0.00 -1.15 -3.41 105.19 112.37 3gdp n GLY 272 Ca -0.05 -0.93 -0.49 0.00 0.00 0.00 0.00 46.02 44.55 3gdp n GLY 272 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gdp n PRO 273 N 0.00 2.09 -0.05 1.61 -0.02 -0.88 -0.67 135.00 137.07 3gdp n PRO 273 Ca 0.00 0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3gdp n PRO 273 Cb 0.00 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 30.83 3gdp n PRO 273 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gdp h GLU 274 N 9.52 -0.21 -0.41 -0.52 4.81 -1.91 -0.31 114.58 125.55 3gdp h GLU 274 Ca -0.47 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 3gdp h GLU 274 Cb 1.27 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3gdp h GLU 274 CO 0.95 -0.14 0.06 0.66 -0.73 0.00 0.00 179.01 179.81 3gdp h SER 275 N -0.22 0.58 0.11 1.04 4.64 -1.99 -1.03 113.55 116.68 3gdp h SER 275 Ca 0.14 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3gdp h SER 275 Cb 0.43 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3gdp h SER 275 CO -0.38 0.61 -0.05 0.22 -0.87 0.00 0.00 176.83 176.36 3gdp h TYR 276 N 0.60 -0.13 -0.36 4.77 3.20 -1.78 -1.80 116.97 121.47 3gdp h TYR 276 Ca 0.13 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3gdp h TYR 276 Cb 0.29 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3gdp h TYR 276 CO 0.01 0.20 0.21 -0.07 -1.64 0.00 0.00 178.16 176.87 3gdp h LEU 277 N -0.48 0.34 -1.15 2.82 3.38 -0.93 -2.47 115.31 116.83 3gdp h LEU 277 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gdp h LEU 277 Cb 0.39 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3gdp h LEU 277 CO 0.02 0.25 0.58 -1.28 0.09 0.00 0.00 178.44 178.10 3gdp h SER 278 N 0.43 0.98 0.00 -0.43 0.87 -1.20 -0.97 113.55 113.24 3gdp h SER 278 Ca 0.14 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3gdp h SER 278 Cb 0.00 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 3gdp h SER 278 CO -0.06 0.70 -0.00 0.77 -0.53 0.00 0.00 176.83 177.70 3gdp h SER 279 N 1.15 0.00 -0.31 6.23 4.64 -0.84 -0.36 113.55 124.06 3gdp h SER 279 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3gdp h SER 279 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3gdp h SER 279 CO -0.08 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.06 3gdp n LEU 280 N -3.81 3.10 -1.48 5.97 4.77 -0.51 -4.96 117.00 120.07 3gdp n LEU 280 Ca -0.03 -1.50 -0.14 0.00 -0.03 0.00 0.00 56.01 54.31 3gdp n LEU 280 Cb 0.08 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3gdp n LEU 280 CO 0.27 0.68 -0.17 0.59 -1.33 0.00 0.00 177.39 177.43 3gdp n ASN 281 N 1.16 -4.36 -4.61 -1.43 5.03 -0.14 -4.99 115.26 105.92 3gdp n ASN 281 Ca 0.16 0.06 -0.40 0.00 0.87 0.00 0.00 54.58 55.27 3gdp n ASN 281 Cb 0.52 -3.44 -0.08 0.00 -1.02 0.00 0.00 39.78 35.76 3gdp n ASN 281 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3gdp s ILE 282 N -2.66 5.09 0.26 2.41 1.01 -0.49 -5.00 121.20 121.83 3gdp s ILE 282 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 3gdp s ILE 282 Cb 0.00 -3.80 -0.13 0.00 0.01 0.00 0.00 42.46 38.54 3gdp s ILE 282 CO 0.00 0.10 1.41 -2.65 0.00 0.00 0.00 174.94 173.79 3gdp n PRO 283 N 5.49 2.13 -2.88 2.79 -0.02 -1.26 -4.10 135.00 137.15 3gdp n PRO 283 Ca -0.05 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3gdp n PRO 283 Cb 0.50 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 3gdp n PRO 283 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gdp s VAL 284 N -0.24 4.69 -0.08 -1.45 1.01 -1.26 -4.21 120.40 118.85 3gdp s VAL 284 Ca 0.65 1.12 -0.17 0.00 0.00 0.00 0.00 61.98 63.59 3gdp s VAL 284 Cb -0.62 -4.25 -0.29 0.00 0.00 0.00 0.00 36.38 31.23 3gdp s VAL 284 CO 0.52 -0.42 0.68 0.58 0.00 0.00 0.00 175.10 176.45 3gdp h VAL 285 N 5.73 1.16 -2.08 2.92 2.07 -0.93 -3.47 116.25 121.66 3gdp h VAL 285 Ca -0.24 -2.46 0.03 0.00 0.82 0.00 0.00 66.70 64.85 3gdp h VAL 285 Cb 1.09 2.86 -0.21 0.00 -1.52 0.00 0.00 31.29 33.50 3gdp h VAL 285 CO 0.93 0.73 -0.09 -0.22 0.02 0.00 0.00 177.57 178.94 3gdp s LEU 286 N -7.61 -0.95 -0.03 2.57 2.96 -1.06 -5.03 118.68 109.53 3gdp s LEU 286 Ca -0.17 1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 54.90 3gdp s LEU 286 Cb 0.04 2.22 -0.06 0.00 0.50 0.00 0.00 46.19 48.88 3gdp s LEU 286 CO 0.80 -0.23 1.70 -0.55 -1.32 0.00 0.00 176.35 176.75 3gdp s SER 287 N 2.19 6.63 -0.37 3.68 0.15 -1.26 -2.95 113.70 121.77 3gdp s SER 287 Ca -0.08 2.33 0.01 0.00 0.70 0.00 0.00 55.95 58.90 3gdp s SER 287 Cb -0.08 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.83 3gdp s SER 287 CO -0.19 -0.94 0.23 -1.00 1.20 0.00 0.00 173.24 172.55 3gdp s HIS 288 N 3.91 0.89 0.56 3.44 3.76 0.15 -4.86 115.29 123.14 3gdp s HIS 288 Ca 0.75 -1.79 0.29 0.00 -0.15 0.00 0.00 55.06 54.17 3gdp s HIS 288 Cb -0.35 -1.01 1.47 0.00 1.11 0.00 0.00 32.58 33.80 3gdp s HIS 288 CO 0.32 -0.82 1.92 -1.00 -0.85 0.00 0.00 174.74 174.30 3gdp h PRO 289 N 6.82 0.00 -0.31 8.40 0.13 -1.92 -2.29 132.00 142.83 3gdp h PRO 289 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3gdp h PRO 289 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3gdp h PRO 289 CO 0.30 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.73 3gdp n TYR 290 N -4.01 0.39 -2.08 1.56 4.02 -1.26 -4.59 117.16 111.19 3gdp n TYR 290 Ca 0.11 -0.19 -0.42 0.00 -0.01 0.00 0.00 57.90 57.39 3gdp n TYR 290 Cb 0.72 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.02 3gdp n TYR 290 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3gdp s VAL 291 N -1.61 3.45 0.00 -0.72 1.01 -1.11 -1.51 120.40 119.90 3gdp s VAL 291 Ca 0.36 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3gdp s VAL 291 Cb 0.21 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3gdp s VAL 291 CO 0.30 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3gdp n GLY 292 N 3.86 0.82 3.96 4.51 0.00 0.62 -4.73 105.19 114.23 3gdp n GLY 292 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3gdp n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdp s GLN 293 N -0.34 3.45 -0.90 1.61 -1.52 -0.57 -0.22 119.66 121.17 3gdp s GLN 293 Ca 0.00 -0.66 -0.03 0.00 -1.95 0.00 0.00 55.36 52.71 3gdp s GLN 293 Cb 0.00 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.88 3gdp s GLN 293 CO 0.00 0.40 0.78 1.19 -0.25 0.00 0.00 175.29 177.41 3gdp n PHE 294 N -1.31 -1.94 -3.32 0.91 0.99 -1.06 -2.88 117.46 108.84 3gdp n PHE 294 Ca -0.08 0.73 -0.39 0.00 -0.00 0.00 0.00 57.45 57.70 3gdp n PHE 294 Cb 0.56 -4.08 -0.08 0.00 -1.00 0.00 0.00 39.48 34.88 3gdp n PHE 294 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3gdp s LEU 295 N -5.17 4.05 -0.07 4.37 2.96 0.22 -1.92 118.68 123.13 3gdp s LEU 295 Ca 0.25 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 3gdp s LEU 295 Cb -0.03 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 3gdp s LEU 295 CO 0.60 -0.23 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.24 3gdp s HIS 296 N 2.18 2.68 -0.19 5.38 3.76 -0.24 -0.25 115.29 128.61 3gdp s HIS 296 Ca 0.18 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.71 3gdp s HIS 296 Cb -0.16 -1.67 0.06 0.00 1.11 0.00 0.00 32.58 31.92 3gdp s HIS 296 CO 0.10 0.04 0.04 0.34 -0.85 0.00 0.00 174.74 174.41 3gdp s ASP 297 N -0.41 2.86 0.17 1.40 2.15 -1.26 -0.88 116.67 120.71 3gdp s ASP 297 Ca 0.04 -0.81 -0.32 0.00 0.43 0.00 0.00 52.55 51.90 3gdp s ASP 297 Cb -0.12 -0.56 -0.11 0.00 -0.30 0.00 0.00 42.92 41.82 3gdp s ASP 297 CO 0.02 -0.31 1.74 0.20 -0.17 0.00 0.00 175.17 176.65 3gdp s ASN 298 N 1.88 6.42 0.43 -0.34 -0.87 -1.26 -4.84 114.94 116.37 3gdp s ASN 298 Ca -0.01 2.79 -0.22 0.00 -1.57 0.00 0.00 52.86 53.85 3gdp s ASN 298 Cb -0.17 -2.59 -0.09 0.00 -0.02 0.00 0.00 41.25 38.39 3gdp s ASN 298 CO -0.08 -0.97 1.04 -2.16 -2.57 0.00 0.00 177.10 172.36 3gdp s PRO 299 N 1.78 4.02 -0.14 -0.60 0.04 -1.26 -2.84 135.00 136.00 3gdp s PRO 299 Ca 0.77 1.44 0.01 0.00 0.04 0.00 0.00 61.00 63.25 3gdp s PRO 299 Cb -0.47 -2.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 3gdp s PRO 299 CO 0.33 -0.25 -0.16 0.50 0.04 0.00 0.00 177.00 177.46 3gdp s ARG 300 N -2.81 3.22 0.15 4.56 3.52 0.21 -2.74 118.95 125.06 3gdp s ARG 300 Ca 0.62 -0.76 0.09 0.00 -0.13 0.00 0.00 55.73 55.56 3gdp s ARG 300 Cb -0.19 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 3gdp s ARG 300 CO 0.24 0.08 -0.22 -0.80 -0.81 0.00 0.00 175.30 173.80 3gdp s ASN 301 N 0.65 2.91 0.32 -2.12 -0.87 -0.77 -1.06 114.94 114.00 3gdp s ASN 301 Ca -0.08 -0.80 -0.19 0.00 -1.57 0.00 0.00 52.86 50.22 3gdp s ASN 301 Cb -0.16 -0.18 0.03 0.00 -0.02 0.00 0.00 41.25 40.92 3gdp s ASN 301 CO 0.02 0.06 0.75 0.72 -2.57 0.00 0.00 177.10 176.08 3gdp s PHE 302 N -1.58 -0.07 -0.03 2.20 -0.12 -1.26 -0.67 117.98 116.45 3gdp s PHE 302 Ca 0.14 -0.47 -0.00 0.00 -0.05 0.00 0.00 56.93 56.55 3gdp s PHE 302 Cb -0.08 0.76 0.03 0.00 -0.63 0.00 0.00 43.02 43.10 3gdp s PHE 302 CO 0.07 -1.36 0.02 0.42 -0.05 0.00 0.00 175.22 174.32 3gdp s ILE 303 N -3.30 0.05 -0.23 -4.49 -1.09 -0.49 -4.97 121.20 106.68 3gdp s ILE 303 Ca 0.13 0.21 -0.07 0.00 -2.23 0.00 0.00 60.65 58.68 3gdp s ILE 303 Cb -0.06 -0.20 -0.03 0.00 -1.58 0.00 0.00 42.46 40.60 3gdp s ILE 303 CO 0.09 0.14 0.06 0.20 -1.23 0.00 0.00 174.94 174.20 3gdp s ASN 304 N 1.34 5.20 0.03 3.58 0.01 -1.26 -0.87 114.94 122.97 3gdp s ASN 304 Ca -0.06 -0.15 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 3gdp s ASN 304 Cb -0.13 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 3gdp s ASN 304 CO -0.03 0.01 -0.04 0.27 -1.51 0.00 0.00 177.10 175.81 3gdp s ILE 305 N 1.33 3.83 -0.53 0.60 -4.36 -0.42 -1.62 121.20 120.03 3gdp s ILE 305 Ca 0.05 -0.81 -0.01 0.00 -0.26 0.00 0.00 60.65 59.62 3gdp s ILE 305 Cb -0.15 -2.72 0.14 0.00 1.25 0.00 0.00 42.46 40.98 3gdp s ILE 305 CO 0.03 0.31 0.32 -0.76 0.24 0.00 0.00 174.94 175.08 3gdp s LEU 306 N -1.70 5.00 0.44 0.37 1.43 0.59 -1.63 118.68 123.18 3gdp s LEU 306 Ca 0.20 -2.66 -0.26 0.00 -1.03 0.00 0.00 54.13 50.38 3gdp s LEU 306 Cb -0.11 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 3gdp s LEU 306 CO 0.11 -0.38 1.44 -2.84 0.23 0.00 0.00 176.35 174.91 3gdp s PRO 307 N 0.22 3.73 0.49 1.29 0.02 -1.26 -4.29 135.00 135.20 3gdp s PRO 307 Ca 0.15 2.45 0.27 0.00 0.02 0.00 0.00 61.00 63.89 3gdp s PRO 307 Cb -0.22 -2.70 1.23 0.00 0.02 0.00 0.00 34.50 32.83 3gdp s PRO 307 CO -0.03 -0.79 1.96 -1.00 -0.33 0.00 0.00 177.00 176.80 3gdp h PRO 308 N 2.40 0.00 -5.15 5.54 0.13 -1.83 -3.39 132.00 129.70 3gdp h PRO 308 Ca -0.51 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.96 3gdp h PRO 308 Cb 1.26 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 3gdp h PRO 308 CO 0.61 0.16 -0.76 -0.80 -0.23 0.00 0.00 178.00 176.98 3gdp s ASN 309 N -6.10 4.02 0.35 1.44 0.01 -1.26 -5.09 114.94 108.31 3gdp s ASN 309 Ca -0.01 -0.39 -0.25 0.00 -0.71 0.00 0.00 52.86 51.50 3gdp s ASN 309 Cb 0.11 -1.65 -0.13 0.00 0.41 0.00 0.00 41.25 40.00 3gdp s ASN 309 CO 0.60 0.07 0.78 -2.65 -1.51 0.00 0.00 177.10 174.39 3gdp n PRO 310 N 4.18 0.91 -4.38 -0.60 -0.02 -1.26 -5.02 135.00 128.80 3gdp n PRO 310 Ca -0.19 0.32 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 3gdp n PRO 310 Cb 0.52 -1.66 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 3gdp n PRO 310 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3gdp s ILE 311 N -1.24 2.13 0.25 4.25 -4.36 -1.26 -5.11 121.20 115.84 3gdp s ILE 311 Ca 0.62 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 58.91 3gdp s ILE 311 Cb -0.66 -1.98 -0.08 0.00 1.25 0.00 0.00 42.46 40.98 3gdp s ILE 311 CO 0.58 -0.17 0.65 -1.83 0.24 0.00 0.00 174.94 174.41 3gdp s GLU 312 N -2.63 4.00 0.45 0.37 1.03 -1.26 -4.84 118.70 115.81 3gdp s GLU 312 Ca 0.18 0.58 -0.24 0.00 0.03 0.00 0.00 54.97 55.51 3gdp s GLU 312 Cb -0.07 -2.67 -0.08 0.00 -0.80 0.00 0.00 34.13 30.51 3gdp s GLU 312 CO 0.08 0.31 1.25 -1.25 -1.33 0.00 0.00 175.26 174.32 3gdp s PRO 313 N -2.54 3.76 0.11 -4.83 0.04 -1.26 -4.69 135.00 125.59 3gdp s PRO 313 Ca 0.47 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 3gdp s PRO 313 Cb -0.13 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 3gdp s PRO 313 CO 0.19 -0.61 0.07 0.95 0.04 0.00 0.00 177.00 177.64 3gdp s THR 314 N -1.38 0.13 -0.03 1.26 -4.23 -0.89 -4.98 115.64 105.52 3gdp s THR 314 Ca 0.62 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 59.30 3gdp s THR 314 Cb -0.34 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 3gdp s THR 314 CO 0.42 -0.61 0.20 0.27 -0.54 0.00 0.00 174.62 174.37 3gdp s ILE 315 N -3.99 5.40 0.05 2.99 -4.36 -1.26 -4.31 121.20 115.72 3gdp s ILE 315 Ca 0.17 0.04 -0.31 0.00 -0.26 0.00 0.00 60.65 60.30 3gdp s ILE 315 Cb 0.07 -3.52 -0.08 0.00 1.25 0.00 0.00 42.46 40.18 3gdp s ILE 315 CO -0.03 0.41 1.59 -0.69 0.24 0.00 0.00 174.94 176.46 3gdp s VAL 316 N -1.25 3.22 0.00 8.37 1.01 -1.26 -4.81 120.40 125.68 3gdp s VAL 316 Ca 0.25 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3gdp s VAL 316 Cb -0.13 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3gdp s VAL 316 CO 0.15 -0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.59 3gdp n THR 317 N 4.72 0.00 -3.36 3.92 -2.24 -1.26 -4.63 114.28 111.42 3gdp n THR 317 Ca 0.15 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.55 3gdp n THR 317 Cb 0.41 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 3gdp n THR 317 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gdp s VAL 318 N -0.83 5.17 -0.06 2.28 1.01 -1.26 -0.79 120.40 125.93 3gdp s VAL 318 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.73 3gdp s VAL 318 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3gdp s VAL 318 CO 0.00 0.21 -0.20 -0.76 0.00 0.00 0.00 175.10 174.35 3gdp s LEU 319 N 1.62 2.38 -0.41 3.92 1.43 -0.31 -4.43 118.68 122.89 3gdp s LEU 319 Ca 0.19 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3gdp s LEU 319 Cb -0.15 -1.46 0.11 0.00 0.03 0.00 0.00 46.19 44.72 3gdp s LEU 319 CO 0.09 0.28 0.22 -0.83 0.23 0.00 0.00 176.35 176.33 3gdp s GLY 320 N -0.36 1.99 -0.25 -3.19 0.00 0.00 -2.05 107.32 103.46 3gdp s GLY 320 Ca 0.03 -2.51 -0.11 0.00 0.00 0.00 0.00 44.72 42.12 3gdp s GLY 320 CO 0.02 1.03 0.21 -0.42 0.00 0.00 0.00 173.10 173.94 3gdp s ILE 321 N 1.17 5.31 0.38 0.90 -1.09 0.16 -0.73 121.20 127.31 3gdp s ILE 321 Ca 0.08 0.25 0.08 0.00 -2.23 0.00 0.00 60.65 58.83 3gdp s ILE 321 Cb -0.23 -3.54 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 3gdp s ILE 321 CO -0.04 0.29 0.08 -0.44 -1.23 0.00 0.00 174.94 173.60 3gdp s SER 322 N 1.35 4.25 0.30 3.58 0.01 -0.35 -0.44 113.70 122.40 3gdp s SER 322 Ca 0.09 -1.07 0.05 0.00 1.31 0.00 0.00 55.95 56.33 3gdp s SER 322 Cb -0.15 -0.50 0.49 0.00 0.21 0.00 0.00 66.02 66.07 3gdp s SER 322 CO 0.07 -0.38 1.75 0.78 0.41 0.00 0.00 173.24 175.88 3gdp h ASN 323 N 1.66 0.37 -0.00 2.44 4.21 -1.98 -3.27 115.58 119.00 3gdp h ASN 323 Ca -0.43 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 56.96 3gdp h ASN 323 Cb 1.25 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 3gdp h ASN 323 CO 0.70 0.64 -0.68 0.47 -1.29 0.00 0.00 177.43 177.27 3gdp n ASP 324 N -4.12 1.18 -3.59 5.81 8.00 -1.26 -4.84 116.55 117.73 3gdp n ASP 324 Ca -0.01 -1.09 -0.16 0.00 0.71 0.00 0.00 54.79 54.24 3gdp n ASP 324 Cb 0.40 0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 42.24 3gdp n ASP 324 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3gdp s PHE 325 N -2.48 -0.49 -0.03 1.24 -0.12 -1.23 -1.06 117.98 113.81 3gdp s PHE 325 Ca 0.10 0.76 0.06 0.00 -0.05 0.00 0.00 56.93 57.80 3gdp s PHE 325 Cb 0.14 0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 3gdp s PHE 325 CO 0.64 -0.56 -0.22 0.71 -0.05 0.00 0.00 175.22 175.73 3gdp s TYR 326 N -1.53 2.09 0.14 3.49 4.12 0.43 -1.22 117.35 124.88 3gdp s TYR 326 Ca -0.10 -0.49 0.04 0.00 0.02 0.00 0.00 57.07 56.53 3gdp s TYR 326 Cb -0.01 -1.36 -0.04 0.00 -1.52 0.00 0.00 41.96 39.02 3gdp s TYR 326 CO 0.06 -0.10 -0.08 -0.65 0.02 0.00 0.00 175.55 174.79 3gdp s GLN 327 N -0.34 1.04 0.17 -0.62 -0.21 0.09 -0.08 119.66 119.71 3gdp s GLN 327 Ca 0.03 -1.45 -0.23 0.00 0.02 0.00 0.00 55.36 53.73 3gdp s GLN 327 Cb -0.11 -0.51 0.08 0.00 1.00 0.00 0.00 33.01 33.47 3gdp s GLN 327 CO 0.01 0.03 1.04 0.00 -2.12 0.00 0.00 175.29 174.24 3gdp s SER 329 N -3.30 0.12 -0.11 0.00 0.15 -1.26 -1.20 113.70 108.11 3gdp s SER 329 Ca 0.20 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.85 3gdp s SER 329 Cb -0.02 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 3gdp s SER 329 CO 0.04 0.01 -0.17 0.12 1.20 0.00 0.00 173.24 174.44 3gdp s PHE 330 N 0.01 2.11 -0.08 3.44 5.36 -0.44 -4.66 117.98 123.72 3gdp s PHE 330 Ca 0.00 -0.96 -0.01 0.00 -0.96 0.00 0.00 56.93 54.99 3gdp s PHE 330 Cb -0.01 -1.49 -0.03 0.00 -0.34 0.00 0.00 43.02 41.15 3gdp s PHE 330 CO -0.00 -0.46 -0.00 -1.54 -1.46 0.00 0.00 175.22 171.75 3gdp s SER 331 N 0.82 5.18 0.26 6.13 1.04 -1.26 0.22 113.70 126.09 3gdp s SER 331 Ca -0.10 0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 3gdp s SER 331 Cb -0.16 -1.44 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 3gdp s SER 331 CO 0.01 0.37 0.44 -0.55 0.98 0.00 0.00 173.24 174.48 3gdp s SER 332 N -0.93 0.08 0.63 7.02 0.15 -0.48 -2.10 113.70 118.08 3gdp s SER 332 Ca 0.14 -1.08 -0.10 0.00 0.70 0.00 0.00 55.95 55.61 3gdp s SER 332 Cb -0.11 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 3gdp s SER 332 CO 0.03 -1.13 1.01 -0.76 1.20 0.00 0.00 173.24 173.58 3gdp s LEU 333 N -3.07 3.14 0.86 3.45 1.43 -1.26 -2.00 118.68 121.23 3gdp s LEU 333 Ca 0.26 1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 54.37 3gdp s LEU 333 Cb 0.00 -4.04 0.11 0.00 0.03 0.00 0.00 46.19 42.30 3gdp s LEU 333 CO 0.11 -1.06 1.12 -2.16 0.23 0.00 0.00 176.35 174.59 3gdp s PRO 334 N -5.17 1.57 -0.01 1.29 0.04 -1.25 -4.80 135.00 126.67 3gdp s PRO 334 Ca 0.55 0.45 -0.28 0.00 0.04 0.00 0.00 61.00 61.76 3gdp s PRO 334 Cb -0.11 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.66 3gdp s PRO 334 CO 0.51 -1.94 0.87 -0.59 0.04 0.00 0.00 177.00 175.88 3gdp s PHE 335 N -3.22 -0.38 -0.30 0.56 -0.12 -0.57 -4.98 117.98 108.98 3gdp s PHE 335 Ca 0.62 0.29 0.11 0.00 -0.05 0.00 0.00 56.93 57.91 3gdp s PHE 335 Cb -0.15 0.53 -0.14 0.00 -0.63 0.00 0.00 43.02 42.63 3gdp s PHE 335 CO 0.54 -0.55 0.37 0.25 -0.05 0.00 0.00 175.22 175.77 3gdp n THR 336 N -0.12 0.00 -3.69 -4.49 -2.24 -1.26 -4.07 114.28 98.41 3gdp n THR 336 Ca -0.10 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.05 3gdp n THR 336 Cb 0.62 0.67 -0.12 0.00 -2.10 0.00 0.00 70.33 69.39 3gdp n THR 336 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gdp s THR 337 N -2.36 4.56 0.26 4.28 2.01 -1.26 -5.05 115.64 118.08 3gdp s THR 337 Ca 0.01 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 3gdp s THR 337 Cb 0.08 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 3gdp s THR 337 CO 0.46 0.19 1.19 -2.16 -0.69 0.00 0.00 174.62 173.60 3gdp s PRO 338 N 1.63 4.52 -0.41 4.92 0.04 -1.26 -4.92 135.00 139.52 3gdp s PRO 338 Ca 0.05 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 3gdp s PRO 338 Cb -0.16 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.22 3gdp s PRO 338 CO 0.06 0.01 1.15 -2.14 0.04 0.00 0.00 177.00 176.11 3gdp s PRO 339 N -1.08 3.84 0.20 0.56 0.02 -1.26 -4.41 135.00 132.86 3gdp s PRO 339 Ca 0.49 0.79 -0.33 0.00 0.02 0.00 0.00 61.00 61.97 3gdp s PRO 339 Cb -0.34 -3.86 -0.13 0.00 0.02 0.00 0.00 34.50 30.19 3gdp s PRO 339 CO 0.42 -1.22 1.53 0.34 -0.33 0.00 0.00 177.00 177.73 3gdp n PHE 340 N 7.58 2.30 0.00 6.54 7.35 -0.49 -1.75 117.46 138.99 3gdp n PHE 340 Ca 0.12 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 3gdp n PHE 340 Cb 0.48 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.79 3gdp n PHE 340 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gdp n GLY 341 N 2.91 3.32 0.16 7.13 0.00 -1.26 -4.83 105.19 112.62 3gdp n GLY 341 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3gdp n GLY 341 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gdp h PHE 342 N 0.00 -0.29 -2.95 1.61 3.57 -1.69 -3.42 116.94 113.77 3gdp h PHE 342 Ca 0.00 -0.01 -0.63 0.00 3.53 0.00 0.00 57.97 60.86 3gdp h PHE 342 Cb 0.00 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 3gdp h PHE 342 CO 0.00 -0.03 -0.52 -0.06 -2.23 0.00 0.00 178.31 175.47 3gdp s PHE 343 N -5.21 3.45 0.65 0.41 2.99 -1.26 -4.92 117.98 114.08 3gdp s PHE 343 Ca -0.15 0.24 0.39 0.00 0.00 0.00 0.00 56.93 57.41 3gdp s PHE 343 Cb 0.03 -1.75 2.15 0.00 0.00 0.00 0.00 43.02 43.45 3gdp s PHE 343 CO 0.61 0.59 2.26 -1.00 -0.00 0.00 0.00 175.22 177.68 3gdp h PRO 344 N 3.40 0.00 -3.80 0.24 0.13 -1.83 -3.44 132.00 126.69 3gdp h PRO 344 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 3gdp h PRO 344 Cb 1.17 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 3gdp h PRO 344 CO 0.71 0.00 -0.21 -1.54 -0.23 0.00 0.00 178.00 176.73 3gdp s SER 345 N -5.25 -0.05 0.44 1.44 1.04 -1.26 -1.41 113.70 108.64 3gdp s SER 345 Ca -0.05 -0.97 0.24 0.00 0.48 0.00 0.00 55.95 55.66 3gdp s SER 345 Cb 0.13 0.54 0.87 0.00 0.10 0.00 0.00 66.02 67.65 3gdp s SER 345 CO 0.42 -1.06 1.80 0.77 0.98 0.00 0.00 173.24 176.15 3gdp h SER 346 N 2.34 0.00 -1.76 7.02 4.64 -1.98 -3.35 113.55 120.46 3gdp h SER 346 Ca -0.28 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.29 3gdp h SER 346 Cb 1.25 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.17 3gdp h SER 346 CO 0.40 0.22 1.71 -1.54 -0.87 0.00 0.00 176.83 176.75 3gdp n SER 347 N -3.35 5.18 -3.96 4.97 3.41 -1.26 -4.90 113.62 113.70 3gdp n SER 347 Ca 0.00 -3.06 -0.14 0.00 -0.26 0.00 0.00 58.87 55.41 3gdp n SER 347 Cb 0.45 -1.51 -0.13 0.00 -0.26 0.00 0.00 64.21 62.75 3gdp n SER 347 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3gdp s TYR 348 N 0.78 0.40 0.47 7.33 5.04 -1.26 -5.12 117.35 124.99 3gdp s TYR 348 Ca 0.41 -0.20 -0.24 0.00 -2.44 0.00 0.00 57.07 54.60 3gdp s TYR 348 Cb 0.04 -0.25 -0.07 0.00 0.35 0.00 0.00 41.96 42.03 3gdp s TYR 348 CO 0.01 -0.04 1.28 -1.25 -1.34 0.00 0.00 175.55 174.21 3gdp s PRO 349 N -0.52 3.63 -0.01 4.97 0.04 -1.26 -5.02 135.00 136.82 3gdp s PRO 349 Ca -0.02 2.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 3gdp s PRO 349 Cb -0.04 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 3gdp s PRO 349 CO -0.00 -0.75 0.30 -0.51 0.04 0.00 0.00 177.00 176.08 3gdp s LEU 350 N -2.98 4.40 -0.12 -3.56 1.43 -1.26 -4.91 118.68 111.68 3gdp s LEU 350 Ca 0.64 0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 54.16 3gdp s LEU 350 Cb -0.36 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 3gdp s LEU 350 CO 0.44 0.29 0.84 -2.16 0.23 0.00 0.00 176.35 176.00 3gdp s PRO 351 N -1.45 4.38 0.00 1.29 0.04 -1.26 -4.92 135.00 133.07 3gdp s PRO 351 Ca 0.25 1.08 0.22 0.00 0.04 0.00 0.00 61.00 62.59 3gdp s PRO 351 Cb -0.14 -3.53 0.63 0.00 0.04 0.00 0.00 34.50 31.50 3gdp s PRO 351 CO 0.13 -0.20 1.53 0.27 0.04 0.00 0.00 177.00 178.76 3gdp n ASN 352 N 4.72 3.91 -3.83 6.66 0.23 -1.26 -1.51 115.26 124.17 3gdp n ASN 352 Ca 0.04 -2.00 -0.12 0.00 -0.53 0.00 0.00 54.58 51.97 3gdp n ASN 352 Cb 0.50 -0.48 -0.07 0.00 -2.08 0.00 0.00 39.78 37.65 3gdp n ASN 352 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3gdp s SER 353 N -1.01 0.35 0.59 0.53 1.04 -1.26 -4.89 113.70 109.05 3gdp s SER 353 Ca 0.48 -1.27 -0.19 0.00 0.48 0.00 0.00 55.95 55.45 3gdp s SER 353 Cb 0.25 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 3gdp s SER 353 CO 0.33 -1.08 1.21 0.42 0.98 0.00 0.00 173.24 175.10 3gdp s THR 354 N -3.79 2.62 0.18 2.02 -4.23 -1.26 -3.74 115.64 107.44 3gdp s THR 354 Ca 0.31 0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 61.14 3gdp s THR 354 Cb 0.02 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 3gdp s THR 354 CO 0.14 -0.08 0.25 0.72 -0.54 0.00 0.00 174.62 175.11 3gdp s PHE 355 N -1.58 0.57 -0.07 3.99 -0.12 -0.85 -4.27 117.98 115.66 3gdp s PHE 355 Ca 0.77 -0.92 0.05 0.00 -0.05 0.00 0.00 56.93 56.78 3gdp s PHE 355 Cb -0.31 -0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 41.92 3gdp s PHE 355 CO 0.33 -0.71 -0.22 0.00 -0.05 0.00 0.00 175.22 174.57 3gdp s ALA 356 N -4.01 1.92 -0.37 1.99 0.00 -0.65 -1.38 121.76 119.27 3gdp s ALA 356 Ca 0.22 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 3gdp s ALA 356 Cb 0.04 -0.66 0.06 0.00 0.00 0.00 0.00 23.12 22.56 3gdp s ALA 356 CO 0.03 0.32 0.15 -1.58 0.00 0.00 0.00 175.76 174.68 3gdp s HIS 357 N 0.11 3.31 -0.36 0.00 2.46 0.13 -1.30 115.29 119.65 3gdp s HIS 357 Ca -0.09 -1.56 -0.18 0.00 0.47 0.00 0.00 55.06 53.69 3gdp s HIS 357 Cb -0.15 -2.55 -0.00 0.00 -0.13 0.00 0.00 32.58 29.75 3gdp s HIS 357 CO 0.05 -0.79 0.53 -0.06 -2.47 0.00 0.00 174.74 172.00 3gdp s PHE 358 N 1.38 3.17 0.09 3.88 0.40 -0.05 -1.33 117.98 125.52 3gdp s PHE 358 Ca 0.00 0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.57 3gdp s PHE 358 Cb -0.21 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 40.32 3gdp s PHE 358 CO 0.02 -0.57 -0.06 0.00 0.70 0.00 0.00 175.22 175.31 3gdp s ALA 359 N 2.44 3.10 -0.07 5.36 0.00 -0.34 -1.40 121.76 130.85 3gdp s ALA 359 Ca 0.19 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 3gdp s ALA 359 Cb -0.15 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 21.96 3gdp s ALA 359 CO 0.14 0.66 -0.01 0.45 0.00 0.00 0.00 175.76 177.00 3gdp s SER 360 N -2.18 1.50 -0.22 0.00 0.15 0.16 -2.33 113.70 110.79 3gdp s SER 360 Ca 0.23 -0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.70 3gdp s SER 360 Cb -0.11 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.70 3gdp s SER 360 CO 0.15 -0.16 0.05 -0.75 1.20 0.00 0.00 173.24 173.72 3gdp s LYS 361 N 1.76 3.73 0.18 5.44 2.20 0.89 -1.84 119.74 132.11 3gdp s LYS 361 Ca 0.02 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 3gdp s LYS 361 Cb -0.13 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 32.90 3gdp s LYS 361 CO -0.05 0.00 1.07 0.08 -0.36 0.00 0.00 175.35 176.10 3gdp s VAL 362 N 1.08 3.92 0.74 4.02 1.01 -1.11 -0.43 120.40 129.63 3gdp s VAL 362 Ca 0.04 1.69 -0.14 0.00 0.00 0.00 0.00 61.98 63.57 3gdp s VAL 362 Cb -0.14 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.20 3gdp s VAL 362 CO 0.03 0.31 1.17 0.00 0.00 0.00 0.00 175.10 176.60 3gdp s ALA 363 N -0.37 2.14 0.00 5.51 0.00 -0.22 -4.55 121.76 124.26 3gdp s ALA 363 Ca 0.48 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3gdp s ALA 363 Cb -0.29 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3gdp s ALA 363 CO 0.35 -1.83 0.00 0.41 0.00 0.00 0.00 175.76 174.69 3gdp n GLY 364 N 0.06 0.94 3.94 0.00 0.00 -1.26 -4.39 105.19 104.48 3gdp n GLY 364 Ca 0.12 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 3gdp n GLY 364 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gdp s PRO 365 N 0.00 2.92 0.14 1.61 0.04 -1.26 -1.07 135.00 137.38 3gdp s PRO 365 Ca 0.00 -0.35 0.07 0.00 0.04 0.00 0.00 61.00 60.76 3gdp s PRO 365 Cb 0.00 -2.44 -0.13 0.00 0.04 0.00 0.00 34.50 31.98 3gdp s PRO 365 CO 0.00 -0.51 1.32 -0.07 0.04 0.00 0.00 177.00 177.79 3gdp h LEU 366 N 0.12 0.03 -9.99 -3.56 3.38 -1.94 -3.46 115.31 99.90 3gdp h LEU 366 Ca -0.45 -0.03 -0.49 0.00 0.09 0.00 0.00 57.88 57.00 3gdp h LEU 366 Cb 1.26 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 42.04 3gdp h LEU 366 CO 0.58 0.96 0.45 -0.44 0.09 0.00 0.00 178.44 180.08 3gdp s SER 367 N -6.76 6.44 0.17 -0.43 0.01 -1.26 -4.93 113.70 106.95 3gdp s SER 367 Ca 0.00 2.16 -0.16 0.00 1.31 0.00 0.00 55.95 59.27 3gdp s SER 367 Cb 0.10 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.76 3gdp s SER 367 CO 0.81 -0.72 0.45 -0.72 0.41 0.00 0.00 173.24 173.48 3gdp s TYR 368 N -1.62 -0.06 0.00 2.43 -0.85 -1.23 -4.57 117.35 111.45 3gdp s TYR 368 Ca 0.61 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.88 3gdp s TYR 368 Cb -0.25 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.38 3gdp s TYR 368 CO 0.31 -0.83 0.00 0.41 -1.52 0.00 0.00 175.55 173.91 3gdp n GLY 369 N -0.29 5.43 3.23 5.49 0.00 0.66 -4.51 105.19 115.20 3gdp n GLY 369 Ca -0.11 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 3gdp n GLY 369 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gdp s SER 370 N 1.00 0.16 -0.05 1.61 1.04 -0.96 -0.61 113.70 115.88 3gdp s SER 370 Ca 0.00 -1.27 0.05 0.00 0.48 0.00 0.00 55.95 55.21 3gdp s SER 370 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3gdp s SER 370 CO 0.00 -0.85 -0.21 -0.22 0.98 0.00 0.00 173.24 172.95 3gdp s LEU 371 N -3.11 2.35 0.08 2.42 0.20 0.70 -2.04 118.68 119.28 3gdp s LEU 371 Ca 0.33 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.78 3gdp s LEU 371 Cb 0.06 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.33 3gdp s LEU 371 CO 0.09 0.29 -0.06 0.42 -0.29 0.00 0.00 176.35 176.79 3gdp s THR 372 N -0.39 0.58 0.34 3.68 -4.23 -0.31 -4.73 115.64 110.57 3gdp s THR 372 Ca 0.04 -1.80 -0.26 0.00 -1.18 0.00 0.00 61.69 58.49 3gdp s THR 372 Cb -0.12 -1.51 -0.10 0.00 1.34 0.00 0.00 72.50 72.12 3gdp s THR 372 CO 0.02 -0.84 0.97 -0.76 -0.54 0.00 0.00 174.62 173.47 3gdp s LEU 373 N -2.83 4.30 -0.16 4.79 1.43 -1.26 0.02 118.68 124.97 3gdp s LEU 373 Ca 0.08 1.89 0.14 0.00 -1.03 0.00 0.00 54.13 55.21 3gdp s LEU 373 Cb 0.04 -4.05 -0.24 0.00 0.03 0.00 0.00 46.19 41.97 3gdp s LEU 373 CO -0.05 -0.16 0.22 1.17 0.23 0.00 0.00 176.35 177.76 3gdp n LYS 374 N 0.43 0.67 -5.02 1.70 4.81 -1.26 -4.70 118.16 114.80 3gdp n LYS 374 Ca 0.03 0.10 -0.29 0.00 -0.87 0.00 0.00 58.31 57.28 3gdp n LYS 374 Cb 0.50 -1.61 -0.17 0.00 0.02 0.00 0.00 35.03 33.78 3gdp n LYS 374 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3gdp s SER 375 N -5.82 2.61 0.00 3.14 0.15 -1.26 -5.01 113.70 107.51 3gdp s SER 375 Ca -0.11 -0.45 0.30 0.00 0.70 0.00 0.00 55.95 56.39 3gdp s SER 375 Cb 0.07 -1.00 1.56 0.00 -1.71 0.00 0.00 66.02 64.93 3gdp s SER 375 CO 0.80 0.15 2.04 -1.54 1.20 0.00 0.00 173.24 175.90 3gdp n SER 376 N 3.39 0.34 0.00 5.45 3.41 -1.26 -4.28 113.62 120.67 3gdp n SER 376 Ca -0.19 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 3gdp n SER 376 Cb 0.53 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3gdp n SER 376 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gdp n SER 377 N -0.85 0.49 -4.37 4.04 3.41 -1.26 -4.95 113.62 110.12 3gdp n SER 377 Ca 0.20 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.40 3gdp n SER 377 Cb 0.21 0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.14 3gdp n SER 377 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gdp s ASN 378 N -0.32 5.69 0.23 4.04 3.84 -1.26 -4.95 114.94 122.22 3gdp s ASN 378 Ca 0.00 -0.98 0.22 0.00 0.21 0.00 0.00 52.86 52.31 3gdp s ASN 378 Cb 0.00 -2.01 0.94 0.00 -0.55 0.00 0.00 41.25 39.63 3gdp s ASN 378 CO 0.00 -0.37 1.68 0.55 -2.79 0.00 0.00 177.10 176.17 3gdp n VAL 379 N 4.98 0.86 1.43 -5.21 3.14 -1.26 -2.15 118.33 120.12 3gdp n VAL 379 Ca -0.12 0.25 0.14 0.00 -2.96 0.00 0.00 64.34 61.66 3gdp n VAL 379 Cb 0.46 -1.17 0.66 0.00 -1.06 0.00 0.00 33.84 32.74 3gdp n VAL 379 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3gdp n ARG 380 N -2.16 0.62 -3.32 1.45 1.74 -1.26 -4.71 116.66 109.03 3gdp n ARG 380 Ca 0.02 -0.16 -0.40 0.00 -0.77 0.00 0.00 57.85 56.54 3gdp n ARG 380 Cb 0.21 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.07 3gdp n ARG 380 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gdp s VAL 381 N -2.49 5.11 0.25 1.55 1.01 -0.92 -5.03 120.40 119.89 3gdp s VAL 381 Ca 0.29 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 3gdp s VAL 381 Cb 0.20 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.64 3gdp s VAL 381 CO 0.47 0.02 1.31 -0.24 0.00 0.00 0.00 175.10 176.66 3gdp n SER 382 N 5.49 2.43 -4.78 3.32 2.88 -1.26 -4.70 113.62 117.00 3gdp n SER 382 Ca -0.07 1.16 -0.30 0.00 -1.33 0.00 0.00 58.87 58.33 3gdp n SER 382 Cb 0.50 -1.40 0.09 0.00 -0.75 0.00 0.00 64.21 62.65 3gdp n SER 382 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3gdp s PRO 383 N -0.80 2.19 0.05 -1.46 0.02 -1.26 -4.33 135.00 129.42 3gdp s PRO 383 Ca 0.65 0.91 -0.22 0.00 0.02 0.00 0.00 61.00 62.37 3gdp s PRO 383 Cb -0.67 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 31.88 3gdp s PRO 383 CO 0.53 -1.62 0.64 1.21 -0.33 0.00 0.00 177.00 177.44 3gdp s ASN 384 N -3.63 7.10 -0.00 2.53 2.47 0.10 -4.88 114.94 118.63 3gdp s ASN 384 Ca 0.61 1.31 -0.00 0.00 0.42 0.00 0.00 52.86 55.20 3gdp s ASN 384 Cb -0.16 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3gdp s ASN 384 CO 0.55 0.15 0.01 0.54 -3.72 0.00 0.00 177.10 174.64 3gdp s VAL 385 N -0.58 -0.01 -0.03 -5.21 0.11 -1.26 -1.16 120.40 112.26 3gdp s VAL 385 Ca 0.32 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.44 3gdp s VAL 385 Cb -0.20 -0.02 -0.00 0.00 -1.53 0.00 0.00 36.38 34.63 3gdp s VAL 385 CO 0.20 0.01 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.11 3gdp s LYS 386 N 0.15 1.24 -0.01 1.54 2.20 -0.86 -0.28 119.74 123.71 3gdp s LYS 386 Ca -0.01 -0.43 0.13 0.00 -0.36 0.00 0.00 55.97 55.30 3gdp s LYS 386 Cb -0.02 -1.13 -0.17 0.00 -1.51 0.00 0.00 37.83 35.00 3gdp s LYS 386 CO -0.00 0.18 0.39 1.19 -0.36 0.00 0.00 175.35 176.74 3gdp n PHE 387 N 3.17 0.00 -3.65 4.03 3.01 -1.26 -2.27 117.46 120.48 3gdp n PHE 387 Ca -0.18 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.06 3gdp n PHE 387 Cb 0.54 -0.17 0.04 0.00 -0.01 0.00 0.00 39.48 39.88 3gdp n PHE 387 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3gdp n ASN 388 N -1.66 -2.24 -4.61 4.37 3.02 -1.26 -3.56 115.26 109.32 3gdp n ASN 388 Ca -0.00 -0.83 -0.47 0.00 -0.03 0.00 0.00 54.58 53.24 3gdp n ASN 388 Cb 0.27 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.32 3gdp n ASN 388 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3gdp n TYR 389 N -4.16 1.54 -1.52 3.10 4.02 -1.26 -1.64 117.16 117.24 3gdp n TYR 389 Ca -0.25 0.61 -0.18 0.00 -0.01 0.00 0.00 57.90 58.07 3gdp n TYR 389 Cb 0.66 -2.33 -0.08 0.00 -0.02 0.00 0.00 39.34 37.58 3gdp n TYR 389 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gdp n TYR 390 N 1.48 -0.03 0.18 -0.72 0.53 -1.26 -4.83 117.16 112.51 3gdp n TYR 390 Ca 0.13 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 57.04 3gdp n TYR 390 Cb 0.27 -3.25 0.35 0.00 -1.03 0.00 0.00 39.34 35.68 3gdp n TYR 390 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3gdp h SER 391 N 0.00 0.00 -3.68 7.72 4.64 -1.67 -3.37 113.55 117.19 3gdp h SER 391 Ca -0.37 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.29 3gdp h SER 391 Cb 1.28 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.20 3gdp h SER 391 CO 0.54 0.40 -0.28 0.21 -0.87 0.00 0.00 176.83 176.83 3gdp s ASN 392 N -6.80 6.18 0.65 4.97 3.84 -1.26 -4.96 114.94 117.56 3gdp s ASN 392 Ca -0.02 -0.17 0.41 0.00 0.21 0.00 0.00 52.86 53.29 3gdp s ASN 392 Cb 0.14 -2.20 2.30 0.00 -0.55 0.00 0.00 41.25 40.94 3gdp s ASN 392 CO 0.72 -0.32 2.35 -0.07 -2.79 0.00 0.00 177.10 176.98 3gdp h LEU 393 N 8.73 0.00 -1.01 3.21 3.38 -2.01 -1.41 115.31 126.20 3gdp h LEU 393 Ca -0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 3gdp h LEU 393 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3gdp h LEU 393 CO 0.69 0.00 -0.23 0.74 0.09 0.00 0.00 178.44 179.72 3gdp h THR 394 N 0.00 1.26 -0.70 0.22 2.02 -1.93 -1.11 112.91 112.66 3gdp h THR 394 Ca 0.00 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 65.94 3gdp h THR 394 Cb 0.01 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3gdp h THR 394 CO -0.00 0.38 0.28 0.44 0.37 0.00 0.00 175.52 176.99 3gdp h ASP 395 N 0.39 0.96 -0.65 4.18 3.32 -1.63 -1.84 116.42 121.15 3gdp h ASP 395 Ca 0.06 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 3gdp h ASP 395 Cb 0.62 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3gdp h ASP 395 CO 0.04 0.87 0.19 0.25 -1.72 0.00 0.00 179.24 178.87 3gdp h LEU 396 N 1.00 0.97 -1.07 1.55 5.85 -1.43 -0.73 115.31 121.44 3gdp h LEU 396 Ca 0.23 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3gdp h LEU 396 Cb 0.20 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3gdp h LEU 396 CO -0.02 0.93 0.32 0.77 -0.34 0.00 0.00 178.44 180.09 3gdp h SER 397 N 0.96 0.88 0.13 1.25 4.64 -0.91 -1.05 113.55 119.44 3gdp h SER 397 Ca 0.21 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 3gdp h SER 397 Cb 0.32 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3gdp h SER 397 CO -0.00 0.75 -0.44 0.45 -0.87 0.00 0.00 176.83 176.72 3gdp h HIS 398 N 0.96 0.46 -0.36 4.77 3.86 -0.87 -2.06 115.15 121.92 3gdp h HIS 398 Ca 0.23 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 3gdp h HIS 398 Cb 0.12 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3gdp h HIS 398 CO 0.01 0.76 0.06 0.00 0.86 0.00 0.00 177.93 179.63 3gdp h VAL 400 N 0.43 0.89 -0.75 0.00 2.07 -1.04 0.18 116.25 118.02 3gdp h VAL 400 Ca 0.11 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3gdp h VAL 400 Cb 0.35 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3gdp h VAL 400 CO 0.01 0.01 0.50 0.28 0.02 0.00 0.00 177.57 178.39 3gdp h SER 401 N 0.07 0.86 -0.35 0.57 0.02 -1.23 -1.04 113.55 112.45 3gdp h SER 401 Ca 0.08 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3gdp h SER 401 Cb 0.09 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3gdp h SER 401 CO -0.13 0.62 0.19 1.23 -1.14 0.00 0.00 176.83 177.61 3gdp h GLY 402 N 1.02 0.52 2.00 -3.77 0.00 -0.31 -1.67 103.07 100.86 3gdp h GLY 402 Ca 0.28 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3gdp h GLY 402 CO -0.06 0.23 -0.32 -0.33 0.00 0.00 0.00 176.54 176.05 3gdp h MET 403 N 0.44 0.00 -0.28 4.80 2.07 -0.37 -1.73 114.93 119.87 3gdp h MET 403 Ca 0.12 0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 57.63 3gdp h MET 403 Cb 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.77 3gdp h MET 403 CO -0.02 0.32 -0.33 0.87 1.07 0.00 0.00 176.91 178.82 3gdp h LYS 404 N 0.00 0.59 -0.44 1.72 1.57 -0.85 -0.56 116.57 118.61 3gdp h LYS 404 Ca -0.00 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 3gdp h LYS 404 Cb 0.76 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3gdp h LYS 404 CO 0.04 0.84 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.39 3gdp h LYS 405 N 0.50 0.82 -0.78 3.15 1.63 -0.57 -1.01 116.57 120.31 3gdp h LYS 405 Ca 0.06 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 3gdp h LYS 405 Cb 0.81 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.35 3gdp h LYS 405 CO 0.07 0.92 0.35 0.82 -3.45 0.00 0.00 179.45 178.16 3gdp h ILE 406 N 0.73 1.25 -0.80 2.00 1.08 -0.95 -1.13 117.51 119.69 3gdp h ILE 406 Ca 0.11 -0.73 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 3gdp h ILE 406 Cb 0.66 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 3gdp h ILE 406 CO 0.05 0.31 0.53 1.23 -0.69 0.00 0.00 178.15 179.57 3gdp h GLY 407 N 1.15 1.13 0.96 5.37 0.00 -0.25 -0.53 103.07 110.88 3gdp h GLY 407 Ca 0.26 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3gdp h GLY 407 CO -0.03 0.37 0.16 0.83 0.00 0.00 0.00 176.54 177.87 3gdp h GLU 408 N 1.03 0.71 -0.68 4.80 5.08 -0.05 -2.06 114.58 123.40 3gdp h GLU 408 Ca 0.31 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3gdp h GLU 408 Cb -0.03 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 3gdp h GLU 408 CO -0.08 0.66 0.41 -0.07 -1.00 0.00 0.00 179.01 178.93 3gdp h LEU 409 N 0.61 0.65 -1.67 1.33 3.38 -0.29 -0.98 115.31 118.34 3gdp h LEU 409 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3gdp h LEU 409 Cb 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gdp h LEU 409 CO -0.01 0.44 0.00 -0.07 0.09 0.00 0.00 178.44 178.89 3gdp h LEU 410 N 0.78 0.00 -2.08 1.67 3.38 -0.78 -2.57 115.31 115.72 3gdp h LEU 410 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3gdp h LEU 410 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gdp h LEU 410 CO -0.13 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.20 3gdp n SER 411 N -2.83 3.16 -4.83 -0.43 7.64 -0.41 -4.74 113.62 111.18 3gdp n SER 411 Ca -0.00 -1.98 -0.31 0.00 1.01 0.00 0.00 58.87 57.59 3gdp n SER 411 Cb 0.21 -0.13 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3gdp n SER 411 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gdp s THR 412 N -1.75 4.21 0.30 0.44 -4.23 -0.97 -4.95 115.64 108.70 3gdp s THR 412 Ca 0.34 0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 61.62 3gdp s THR 412 Cb 0.21 -3.54 0.20 0.00 1.34 0.00 0.00 72.50 70.71 3gdp s THR 412 CO 0.31 -0.88 1.89 0.44 -0.54 0.00 0.00 174.62 175.84 3gdp h ASP 413 N -0.37 0.77 -0.88 3.99 3.32 -1.93 -2.67 116.42 118.64 3gdp h ASP 413 Ca -0.44 -0.09 0.12 0.00 0.02 0.00 0.00 57.03 56.63 3gdp h ASP 413 Cb 1.20 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.49 3gdp h ASP 413 CO 0.58 0.68 0.57 0.00 -1.72 0.00 0.00 179.24 179.36 3gdp h ALA 414 N 1.43 1.73 -0.02 3.45 0.00 -1.91 -2.38 119.26 121.57 3gdp h ALA 414 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gdp h ALA 414 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gdp h ALA 414 CO -0.02 0.06 -0.15 1.28 0.00 0.00 0.00 179.25 180.42 3gdp n LEU 415 N -4.55 2.16 -0.20 0.00 4.77 -1.02 -4.45 117.00 113.71 3gdp n LEU 415 Ca 0.16 -0.73 -0.01 0.00 -0.03 0.00 0.00 56.01 55.41 3gdp n LEU 415 Cb 0.38 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.56 3gdp n LEU 415 CO 0.30 0.37 1.00 0.11 -1.33 0.00 0.00 177.39 177.84 3gdp h LYS 416 N 3.15 0.43 0.00 3.23 1.57 -1.24 -1.57 116.57 122.14 3gdp h LYS 416 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gdp h LYS 416 Cb 0.76 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3gdp h LYS 416 CO 0.00 0.28 0.02 -2.30 -0.57 0.00 0.00 179.45 176.89 3gdp n PRO 417 N -4.96 0.02 -0.23 3.15 -0.02 -1.26 -1.77 135.00 129.91 3gdp n PRO 417 Ca 0.08 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 3gdp n PRO 417 Cb 0.25 -1.57 0.22 0.00 -0.02 0.00 0.00 33.50 32.38 3gdp n PRO 417 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gdp n TYR 418 N -1.57 0.62 -2.93 6.00 4.02 -0.59 -4.81 117.16 117.89 3gdp n TYR 418 Ca -0.00 -0.38 -0.29 0.00 -0.01 0.00 0.00 57.90 57.21 3gdp n TYR 418 Cb 0.02 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 3gdp n TYR 418 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3gdp s LYS 419 N -1.14 3.71 0.04 -0.72 1.02 -0.73 -4.34 119.74 117.58 3gdp s LYS 419 Ca 0.36 0.33 0.17 0.00 0.02 0.00 0.00 55.97 56.85 3gdp s LYS 419 Cb 0.20 -2.45 -0.15 0.00 -0.52 0.00 0.00 37.83 34.91 3gdp s LYS 419 CO 0.27 -0.00 0.77 0.28 -0.92 0.00 0.00 175.35 175.74 3gdp n VAL 420 N -1.35 1.17 -4.05 3.17 0.31 0.14 -4.65 118.33 113.07 3gdp n VAL 420 Ca 0.01 -0.70 -0.14 0.00 -0.01 0.00 0.00 64.34 63.50 3gdp n VAL 420 Cb 0.54 -0.71 -0.14 0.00 -0.91 0.00 0.00 33.84 32.62 3gdp n VAL 420 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3gdp s GLU 421 N -2.91 0.29 -1.35 5.55 2.02 -0.56 -5.06 118.70 116.68 3gdp s GLU 421 Ca -0.04 -0.19 -0.14 0.00 0.02 0.00 0.00 54.97 54.63 3gdp s GLU 421 Cb 0.09 -0.25 0.09 0.00 0.10 0.00 0.00 34.13 34.16 3gdp s GLU 421 CO 0.82 0.07 1.93 -3.47 0.02 0.00 0.00 175.26 174.62 3gdp n ASP 422 N 2.83 4.57 -4.96 -0.19 2.03 -1.26 -4.31 116.55 115.25 3gdp n ASP 422 Ca -0.14 -2.93 -0.23 0.00 0.52 0.00 0.00 54.79 52.01 3gdp n ASP 422 Cb 0.58 -1.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.33 3gdp n ASP 422 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3gdp s LEU 423 N 2.19 4.22 0.73 -2.67 1.43 -1.26 -5.06 118.68 118.27 3gdp s LEU 423 Ca 0.47 0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 3gdp s LEU 423 Cb 0.08 -3.02 0.04 0.00 0.03 0.00 0.00 46.19 43.32 3gdp s LEU 423 CO -0.01 -0.13 1.12 -2.16 0.23 0.00 0.00 176.35 175.40 3gdp s PRO 424 N -3.98 2.37 7.40 1.29 0.04 -1.26 -4.57 135.00 136.30 3gdp s PRO 424 Ca 0.36 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3gdp s PRO 424 Cb -0.09 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3gdp s PRO 424 CO 0.31 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 176.18 3gdp n GLY 425 N -0.62 3.46 0.47 0.56 0.00 -1.26 -2.27 105.19 105.53 3gdp n GLY 425 Ca 0.10 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3gdp n GLY 425 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gdp n VAL 426 N 0.00 0.07 -2.27 1.61 0.24 -1.26 -4.46 118.33 112.26 3gdp n VAL 426 Ca 0.00 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 3gdp n VAL 426 Cb 0.00 0.39 -0.00 0.00 -1.47 0.00 0.00 33.84 32.76 3gdp n VAL 426 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3gdp s GLU 427 N -1.93 3.65 0.00 7.34 2.02 -0.96 -4.44 118.70 124.38 3gdp s GLU 427 Ca 0.36 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.94 3gdp s GLU 427 Cb 0.20 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3gdp s GLU 427 CO 0.31 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.64 3gdp n GLY 428 N -2.29 1.72 3.88 -1.39 0.00 -1.26 -4.00 105.19 101.85 3gdp n GLY 428 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3gdp n GLY 428 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdp s PHE 429 N -2.17 3.49 -0.43 1.61 0.40 -1.26 0.26 117.98 119.87 3gdp s PHE 429 Ca 0.00 0.98 -0.20 0.00 -0.60 0.00 0.00 56.93 57.10 3gdp s PHE 429 Cb 0.00 -2.39 0.02 0.00 0.51 0.00 0.00 43.02 41.16 3gdp s PHE 429 CO 0.00 -0.11 0.61 1.21 0.70 0.00 0.00 175.22 177.63 3gdp s ASN 430 N -3.31 6.31 -0.13 1.36 3.04 -1.26 -4.83 114.94 116.11 3gdp s ASN 430 Ca 0.50 -0.37 -0.10 0.00 0.04 0.00 0.00 52.86 52.93 3gdp s ASN 430 Cb -0.10 -2.31 -0.05 0.00 -1.54 0.00 0.00 41.25 37.26 3gdp s ASN 430 CO 0.33 -0.74 0.20 -0.63 -3.04 0.00 0.00 177.10 173.22 3gdp s ILE 431 N 2.72 5.39 -0.42 -5.21 -1.09 -1.26 -0.30 121.20 121.02 3gdp s ILE 431 Ca 0.21 0.35 -0.14 0.00 -2.23 0.00 0.00 60.65 58.84 3gdp s ILE 431 Cb -0.15 -3.50 0.04 0.00 -1.58 0.00 0.00 42.46 37.28 3gdp s ILE 431 CO 0.18 0.53 0.31 -0.22 -1.23 0.00 0.00 174.94 174.51 3gdp s LEU 432 N -0.44 5.18 0.00 2.97 2.96 -0.64 -4.95 118.68 123.77 3gdp s LEU 432 Ca 0.15 -1.07 0.00 0.00 -0.22 0.00 0.00 54.13 52.99 3gdp s LEU 432 Cb -0.13 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.43 3gdp s LEU 432 CO 0.04 -0.50 0.00 0.61 -1.32 0.00 0.00 176.35 175.18 3gdp n GLY 433 N 5.13 -1.08 3.67 7.98 0.00 -1.26 -4.23 105.19 115.39 3gdp n GLY 433 Ca -0.11 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 3gdp n GLY 433 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdp s ILE 434 N 0.00 4.23 0.58 -0.61 1.01 -1.26 -5.03 121.20 120.13 3gdp s ILE 434 Ca 0.00 1.51 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 3gdp s ILE 434 Cb 0.00 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3gdp s ILE 434 CO 0.00 -0.09 0.95 -2.16 0.00 0.00 0.00 174.94 173.64 3gdp s PRO 435 N 3.12 3.46 0.65 2.79 0.04 -1.26 -4.88 135.00 138.93 3gdp s PRO 435 Ca 0.56 0.50 -0.14 0.00 0.04 0.00 0.00 61.00 61.96 3gdp s PRO 435 Cb -0.23 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 3gdp s PRO 435 CO 0.17 -0.52 1.08 -0.51 0.04 0.00 0.00 177.00 177.27 3gdp s LEU 436 N -5.05 3.35 0.50 -3.56 1.43 -1.26 -4.98 118.68 109.10 3gdp s LEU 436 Ca 0.53 1.85 -0.23 0.00 -1.03 0.00 0.00 54.13 55.25 3gdp s LEU 436 Cb -0.11 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.52 3gdp s LEU 436 CO 0.50 -1.48 1.26 -2.84 0.23 0.00 0.00 176.35 174.03 3gdp s PRO 437 N -4.33 3.49 0.09 1.29 0.02 -1.26 -4.92 135.00 129.39 3gdp s PRO 437 Ca 0.64 2.01 -0.18 0.00 0.02 0.00 0.00 61.00 63.49 3gdp s PRO 437 Cb -0.17 -2.36 -0.07 0.00 0.02 0.00 0.00 34.50 31.92 3gdp s PRO 437 CO 0.44 -0.84 1.54 0.87 -0.33 0.00 0.00 177.00 178.67 3gdp h LYS 438 N 1.82 0.48 -6.48 5.54 1.57 -2.00 -3.40 116.57 114.09 3gdp h LYS 438 Ca -0.50 -0.15 -0.56 0.00 -1.87 0.00 0.00 60.65 57.57 3gdp h LYS 438 Cb 1.27 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 3gdp h LYS 438 CO 0.59 0.63 1.10 0.34 -0.57 0.00 0.00 179.45 181.53 3gdp s ASP 439 N -5.96 6.25 0.00 0.86 -1.08 -1.26 -4.77 116.67 110.70 3gdp s ASP 439 Ca -0.13 0.75 0.20 0.00 -0.52 0.00 0.00 52.55 52.84 3gdp s ASP 439 Cb 0.08 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 40.16 3gdp s ASP 439 CO 0.75 -1.52 1.61 0.00 0.52 0.00 0.00 175.17 176.53 3gdp n GLN 440 N 8.23 0.54 -0.04 4.34 1.13 -1.26 -2.42 117.38 127.90 3gdp n GLN 440 Ca 0.16 0.03 0.06 0.00 -1.94 0.00 0.00 57.00 55.31 3gdp n GLN 440 Cb 0.48 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.41 3gdp n GLN 440 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3gdp n THR 441 N -1.08 0.22 -2.82 5.09 -2.24 -1.26 -4.85 114.28 107.33 3gdp n THR 441 Ca 0.14 -0.61 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 3gdp n THR 441 Cb 0.09 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.39 3gdp n THR 441 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gdp s ASP 442 N -0.98 6.81 0.20 3.42 -1.08 -1.02 -4.86 116.67 119.16 3gdp s ASP 442 Ca 0.16 -2.38 -0.11 0.00 -0.52 0.00 0.00 52.55 49.70 3gdp s ASP 442 Cb 0.10 -2.45 0.21 0.00 -1.46 0.00 0.00 42.92 39.32 3gdp s ASP 442 CO 0.15 -1.03 1.78 0.44 0.52 0.00 0.00 175.17 177.03 3gdp h ASP 443 N 8.15 0.37 -0.91 -0.34 5.19 -1.88 -2.06 116.42 124.94 3gdp h ASP 443 Ca 0.27 0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.76 3gdp h ASP 443 Cb 0.94 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.38 3gdp h ASP 443 CO 1.26 0.24 0.60 0.00 -3.12 0.00 0.00 179.24 178.22 3gdp h ALA 444 N 1.34 1.43 -0.40 3.45 0.00 -2.00 0.26 119.26 123.34 3gdp h ALA 444 Ca 0.27 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3gdp h ALA 444 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3gdp h ALA 444 CO -0.21 0.48 -0.15 0.00 0.00 0.00 0.00 179.25 179.38 3gdp h ALA 445 N 1.47 0.99 -0.13 0.00 0.00 -1.81 -2.17 119.26 117.61 3gdp h ALA 445 Ca 0.36 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3gdp h ALA 445 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gdp h ALA 445 CO -0.11 0.60 -0.49 0.74 0.00 0.00 0.00 179.25 179.99 3gdp h PHE 446 N 0.66 0.41 -0.60 0.00 -1.00 -0.59 -1.08 116.94 114.75 3gdp h PHE 446 Ca 0.11 -0.13 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 3gdp h PHE 446 Cb 0.62 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 3gdp h PHE 446 CO 0.03 0.76 0.07 0.93 -1.61 0.00 0.00 178.31 178.50 3gdp h GLU 447 N 0.27 1.01 -0.58 1.51 5.08 -0.69 0.38 114.58 121.56 3gdp h GLU 447 Ca 0.01 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 3gdp h GLU 447 Cb 0.96 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3gdp h GLU 447 CO 0.08 0.96 0.09 1.15 -1.00 0.00 0.00 179.01 180.29 3gdp h THR 448 N 0.91 1.26 -0.31 1.13 2.02 -1.19 -1.33 112.91 115.38 3gdp h THR 448 Ca 0.18 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3gdp h THR 448 Cb 0.46 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3gdp h THR 448 CO 0.02 0.36 0.20 0.15 0.37 0.00 0.00 175.52 176.62 3gdp h PHE 449 N 0.86 0.40 -0.27 3.16 3.57 -0.87 -1.35 116.94 122.43 3gdp h PHE 449 Ca 0.17 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3gdp h PHE 449 Cb 0.42 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3gdp h PHE 449 CO 0.03 0.27 0.12 0.00 -2.23 0.00 0.00 178.31 176.51 3gdp h ARG 451 N 0.26 0.33 0.00 0.00 3.08 -1.10 -2.90 114.38 114.05 3gdp h ARG 451 Ca 0.11 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gdp h ARG 451 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3gdp h ARG 451 CO -0.09 0.54 0.00 0.93 -1.07 0.00 0.00 179.97 180.28 3gdp h GLU 452 N 0.07 0.00 -0.02 0.04 5.08 -1.23 -3.32 114.58 115.21 3gdp h GLU 452 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gdp h GLU 452 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3gdp h GLU 452 CO 0.01 0.00 -0.02 -1.13 -1.00 0.00 0.00 179.01 176.87 3gdp n SER 453 N -2.81 2.05 -4.64 1.42 3.41 -0.62 -5.05 113.62 107.37 3gdp n SER 453 Ca 0.04 -1.52 -0.39 0.00 -0.26 0.00 0.00 58.87 56.74 3gdp n SER 453 Cb 0.48 0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.50 3gdp n SER 453 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3gdp n VAL 454 N 0.67 3.32 -4.21 -3.33 3.14 -1.10 -4.79 118.33 112.04 3gdp n VAL 454 Ca 0.08 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.78 3gdp n VAL 454 Cb 0.33 -1.27 -0.07 0.00 -1.06 0.00 0.00 33.84 31.76 3gdp n VAL 454 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gdp s ALA 455 N -1.39 1.44 0.06 1.55 0.00 -0.23 -4.67 121.76 118.52 3gdp s ALA 455 Ca 0.71 -1.86 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 3gdp s ALA 455 Cb -0.46 1.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.97 3gdp s ALA 455 CO 0.51 -0.70 0.38 0.45 0.00 0.00 0.00 175.76 176.39 3gdp s SER 456 N -3.31 6.63 0.00 0.00 0.15 -1.26 -0.62 113.70 115.28 3gdp s SER 456 Ca 0.37 0.77 0.28 0.00 0.70 0.00 0.00 55.95 58.07 3gdp s SER 456 Cb 0.02 -2.17 1.03 0.00 -1.71 0.00 0.00 66.02 63.19 3gdp s SER 456 CO 0.24 0.19 1.73 0.00 1.20 0.00 0.00 173.24 176.61 3gdp n TYR 457 N 0.99 0.00 -1.12 3.44 9.36 -1.13 -4.64 117.16 124.06 3gdp n TYR 457 Ca -0.09 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.09 3gdp n TYR 457 Cb 0.52 -0.01 -0.02 0.00 -0.63 0.00 0.00 39.34 39.20 3gdp n TYR 457 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 3gdp n TRP 458 N 0.06 0.00 -1.33 2.98 8.01 -1.26 -4.89 117.44 121.01 3gdp n TRP 458 Ca 0.18 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 56.18 3gdp n TRP 458 Cb 0.35 -1.47 0.17 0.00 -2.01 0.00 0.00 31.31 28.35 3gdp n TRP 458 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 3gdp n HIS 459 N -2.53 2.53 -1.64 -5.99 8.25 -1.26 -5.02 115.22 109.56 3gdp n HIS 459 Ca -0.04 -1.92 -0.37 0.00 -0.26 0.00 0.00 57.72 55.13 3gdp n HIS 459 Cb 0.31 -0.86 0.06 0.00 1.12 0.00 0.00 29.99 30.62 3gdp n HIS 459 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3gdp n TYR 460 N -1.11 1.21 -3.84 4.41 0.18 -1.26 -4.62 117.16 112.13 3gdp n TYR 460 Ca 0.52 0.42 -0.09 0.00 1.88 0.00 0.00 57.90 60.64 3gdp n TYR 460 Cb 1.37 -2.18 0.01 0.00 -0.38 0.00 0.00 39.34 38.17 3gdp n TYR 460 CO 0.00 0.00 0.00 -3.38 -2.08 0.00 0.00 176.86 171.40 3gdp s HIS 461 N -1.49 0.13 0.00 -3.48 -3.43 -0.05 -4.88 115.29 102.08 3gdp s HIS 461 Ca 0.79 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 3gdp s HIS 461 Cb -0.39 0.73 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 3gdp s HIS 461 CO 0.44 -1.47 0.00 0.41 -2.00 0.00 0.00 174.74 172.13 3gdp n GLY 462 N -0.52 -2.18 0.00 -1.38 0.00 -0.59 -1.07 105.19 99.45 3gdp n GLY 462 Ca -0.07 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3gdp n GLY 462 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdp n GLY 463 N -0.08 1.76 2.59 -0.02 0.00 -0.81 -4.27 105.19 104.37 3gdp n GLY 463 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3gdp n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdp s LEU 465 N -2.29 4.12 0.14 0.00 1.43 -1.22 -3.97 118.68 116.89 3gdp s LEU 465 Ca 0.27 2.61 -0.31 0.00 -1.03 0.00 0.00 54.13 55.67 3gdp s LEU 465 Cb 0.30 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 3gdp s LEU 465 CO -0.06 -0.97 1.35 -0.69 0.23 0.00 0.00 176.35 176.21 3gdp s VAL 466 N -1.32 3.30 0.00 -1.59 1.01 -0.35 -0.53 120.40 120.92 3gdp s VAL 466 Ca 0.60 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3gdp s VAL 466 Cb -0.37 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3gdp s VAL 466 CO 0.46 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3gdp n GLY 467 N 3.09 0.68 1.12 4.51 0.00 0.11 -4.81 105.19 109.89 3gdp n GLY 467 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gdp n GLY 467 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gdp n LYS 468 N -2.00 0.00 -0.04 1.61 4.76 -0.73 -4.92 118.16 116.84 3gdp n LYS 468 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 3gdp n LYS 468 Cb 0.00 -0.44 -0.04 0.00 -1.84 0.00 0.00 35.03 32.71 3gdp n LYS 468 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3gdp n VAL 469 N -3.01 0.45 -4.14 -0.18 0.31 0.31 -4.70 118.33 107.37 3gdp n VAL 469 Ca 0.00 -0.20 -0.22 0.00 -0.01 0.00 0.00 64.34 63.91 3gdp n VAL 469 Cb 0.39 -0.80 -0.05 0.00 -0.91 0.00 0.00 33.84 32.47 3gdp n VAL 469 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3gdp s LEU 470 N -5.20 3.60 0.00 7.52 1.43 -0.76 -1.85 118.68 123.41 3gdp s LEU 470 Ca -0.09 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3gdp s LEU 470 Cb 0.03 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.16 3gdp s LEU 470 CO 0.20 -0.06 0.34 -0.90 0.23 0.00 0.00 176.35 176.16 3gdp n ASP 471 N -1.11 0.85 0.02 2.29 3.85 -0.39 0.08 116.55 122.13 3gdp n ASP 471 Ca -0.07 -1.62 0.04 0.00 -0.71 0.00 0.00 54.79 52.43 3gdp n ASP 471 Cb 0.58 -0.18 0.19 0.00 -1.35 0.00 0.00 41.12 40.36 3gdp n ASP 471 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gdp n GLY 472 N 2.08 -0.75 0.91 6.12 0.00 -1.26 -1.42 105.19 110.86 3gdp n GLY 472 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 3gdp n GLY 472 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gdp n ASP 473 N -1.60 3.54 -0.89 1.61 8.00 -1.26 -4.62 116.55 121.32 3gdp n ASP 473 Ca 0.01 -2.32 -0.12 0.00 0.71 0.00 0.00 54.79 53.08 3gdp n ASP 473 Cb 0.08 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 3gdp n ASP 473 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gdp n PHE 474 N 0.46 0.00 -3.04 1.24 3.01 -0.50 -4.97 117.46 113.65 3gdp n PHE 474 Ca 0.17 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.27 3gdp n PHE 474 Cb 0.63 -2.22 -0.06 0.00 -0.01 0.00 0.00 39.48 37.81 3gdp n PHE 474 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3gdp s ARG 475 N -2.92 4.33 -0.21 -1.08 0.52 -1.26 -1.67 118.95 116.66 3gdp s ARG 475 Ca 0.00 0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 55.89 3gdp s ARG 475 Cb 0.00 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 3gdp s ARG 475 CO 0.00 0.39 1.26 0.08 0.02 0.00 0.00 175.30 177.04 3gdp s VAL 476 N -1.51 4.27 0.35 3.52 1.01 -0.57 -1.27 120.40 126.21 3gdp s VAL 476 Ca 0.44 1.51 -0.28 0.00 0.00 0.00 0.00 61.98 63.65 3gdp s VAL 476 Cb -0.17 -4.07 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 3gdp s VAL 476 CO 0.22 -0.24 1.42 0.35 0.00 0.00 0.00 175.10 176.85 3gdp n THR 477 N 5.61 1.90 -0.33 3.92 -2.24 -0.77 -2.41 114.28 119.96 3gdp n THR 477 Ca 0.14 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3gdp n THR 477 Cb 0.45 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 3gdp n THR 477 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdp n GLY 478 N 0.73 1.81 3.01 3.38 0.00 -1.26 -5.01 105.19 107.85 3gdp n GLY 478 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3gdp n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdp s ILE 479 N -3.15 1.07 0.42 -0.61 1.01 -1.01 -4.72 121.20 114.22 3gdp s ILE 479 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 3gdp s ILE 479 Cb 0.00 -0.99 -0.06 0.00 0.01 0.00 0.00 42.46 41.42 3gdp s ILE 479 CO 0.00 0.34 0.77 0.20 0.00 0.00 0.00 174.94 176.25 3gdp s ASN 480 N 0.70 6.48 -1.52 3.58 0.01 -0.34 -4.26 114.94 119.58 3gdp s ASN 480 Ca -0.14 1.10 -0.03 0.00 -0.71 0.00 0.00 52.86 53.08 3gdp s ASN 480 Cb -0.16 -2.31 0.01 0.00 0.41 0.00 0.00 41.25 39.20 3gdp s ASN 480 CO 0.03 -0.43 0.30 0.00 -1.51 0.00 0.00 177.10 175.50 3gdp n ALA 481 N -1.46 -0.84 -3.69 0.60 0.00 -1.26 -1.17 120.51 112.68 3gdp n ALA 481 Ca 0.02 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 3gdp n ALA 481 Cb 0.54 -2.84 -0.17 0.00 0.00 0.00 0.00 19.45 16.98 3gdp n ALA 481 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gdp s LEU 482 N -6.29 0.30 0.28 0.00 2.96 -1.26 -0.95 118.68 113.71 3gdp s LEU 482 Ca 0.17 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3gdp s LEU 482 Cb -0.08 -0.01 -0.06 0.00 0.50 0.00 0.00 46.19 46.55 3gdp s LEU 482 CO 0.21 -0.22 0.07 -0.13 -1.32 0.00 0.00 176.35 174.96 3gdp s ARG 483 N 1.94 1.49 -0.06 1.98 0.52 -0.61 -1.52 118.95 122.68 3gdp s ARG 483 Ca 0.01 -1.81 0.00 0.00 -0.52 0.00 0.00 55.73 53.42 3gdp s ARG 483 Cb -0.12 -0.53 0.02 0.00 0.52 0.00 0.00 34.95 34.84 3gdp s ARG 483 CO -0.04 -0.23 -0.04 0.08 0.02 0.00 0.00 175.30 175.09 3gdp s VAL 484 N -3.55 0.60 -0.27 3.52 1.01 -0.67 -0.92 120.40 120.13 3gdp s VAL 484 Ca 0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 3gdp s VAL 484 Cb 0.08 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.90 3gdp s VAL 484 CO 0.14 0.26 0.13 -0.69 0.00 0.00 0.00 175.10 174.94 3gdp s VAL 485 N 1.28 -0.09 -0.08 2.92 1.01 -0.59 -4.84 120.40 120.00 3gdp s VAL 485 Ca -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3gdp s VAL 485 Cb -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3gdp s VAL 485 CO -0.02 -0.62 0.00 -0.90 0.00 0.00 0.00 175.10 173.56 3gdp n ASP 486 N 5.26 0.00 0.00 3.32 5.68 -1.26 -4.33 116.55 125.22 3gdp n ASP 486 Ca -0.06 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.32 3gdp n ASP 486 Cb 0.44 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.92 3gdp n ASP 486 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdp n GLY 487 N 0.00 -0.65 0.07 6.12 0.00 -1.26 -3.41 105.19 106.06 3gdp n GLY 487 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.06 3gdp n GLY 487 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gdp n SER 488 N -1.09 0.31 -0.03 1.61 3.41 -1.26 -1.53 113.62 115.04 3gdp n SER 488 Ca 0.12 -0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.53 3gdp n SER 488 Cb 0.08 -0.15 0.39 0.00 -0.26 0.00 0.00 64.21 64.28 3gdp n SER 488 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gdp n THR 489 N -1.14 0.00 -4.17 6.66 -2.24 -1.22 -1.19 114.28 110.99 3gdp n THR 489 Ca 0.13 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.73 3gdp n THR 489 Cb 0.28 0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.42 3gdp n THR 489 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3gdp s PHE 490 N -2.91 0.96 0.17 4.78 0.40 -1.26 -1.21 117.98 118.90 3gdp s PHE 490 Ca 0.14 -0.42 0.12 0.00 -0.60 0.00 0.00 56.93 56.17 3gdp s PHE 490 Cb 0.18 -0.56 0.27 0.00 0.51 0.00 0.00 43.02 43.42 3gdp s PHE 490 CO 0.62 -0.00 1.55 -1.00 0.70 0.00 0.00 175.22 177.08 3gdp h PRO 491 N 4.64 0.00 -6.64 0.24 0.13 -1.91 -3.16 132.00 125.30 3gdp h PRO 491 Ca -0.37 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.09 3gdp h PRO 491 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 3gdp h PRO 491 CO 0.42 0.64 -0.78 0.71 -0.23 0.00 0.00 178.00 178.75 3gdp s TYR 492 N -3.33 2.54 0.21 1.56 4.12 -1.26 -4.50 117.35 116.70 3gdp s TYR 492 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 57.07 56.54 3gdp s TYR 492 Cb 0.11 -1.32 -0.08 0.00 -1.52 0.00 0.00 41.96 39.15 3gdp s TYR 492 CO 0.76 0.43 1.18 -0.08 0.02 0.00 0.00 175.55 177.86 3gdp s THR 493 N -1.32 3.51 0.20 -0.71 -1.32 -0.23 -4.94 115.64 110.83 3gdp s THR 493 Ca 0.20 1.33 0.31 0.00 -1.21 0.00 0.00 61.69 62.32 3gdp s THR 493 Cb -0.10 -3.85 0.34 0.00 -1.51 0.00 0.00 72.50 67.38 3gdp s THR 493 CO 0.11 0.24 1.98 1.55 -2.21 0.00 0.00 174.62 176.29 3gdp h PRO 494 N 4.86 0.00 0.00 7.08 0.13 -1.94 -3.44 132.00 138.69 3gdp h PRO 494 Ca -0.45 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 3gdp h PRO 494 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3gdp h PRO 494 CO 0.72 0.08 0.18 0.00 -0.23 0.00 0.00 178.00 178.76 3gdp n ALA 495 N -2.15 -0.86 0.11 -0.56 0.00 -1.26 -1.13 120.51 114.66 3gdp n ALA 495 Ca -0.00 -0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.12 3gdp n ALA 495 Cb 0.31 0.21 0.42 0.00 0.00 0.00 0.00 19.45 20.39 3gdp n ALA 495 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gdp h SER 496 N 0.66 0.25 -3.25 0.00 4.64 -1.92 -3.38 113.55 110.55 3gdp h SER 496 Ca -0.09 -0.04 -0.46 0.00 -0.47 0.00 0.00 61.79 60.73 3gdp h SER 496 Cb 0.40 -0.07 -0.39 0.00 -0.31 0.00 0.00 62.40 62.04 3gdp h SER 496 CO 0.12 0.34 -0.77 -1.00 -0.87 0.00 0.00 176.83 174.66 3gdp s HIS 497 N -4.91 0.75 -0.99 4.77 3.76 -1.26 -5.07 115.29 112.34 3gdp s HIS 497 Ca -0.06 -0.33 0.28 0.00 -0.15 0.00 0.00 55.06 54.80 3gdp s HIS 497 Cb 0.16 -0.86 1.14 0.00 1.11 0.00 0.00 32.58 34.13 3gdp s HIS 497 CO 0.73 -0.40 1.86 -0.35 -0.85 0.00 0.00 174.74 175.73 3gdp n PRO 498 N 5.13 0.01 -0.27 8.40 -0.04 -1.26 -4.36 135.00 142.61 3gdp n PRO 498 Ca -0.08 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 3gdp n PRO 498 Cb 0.49 -1.51 0.26 0.00 -0.04 0.00 0.00 33.50 32.71 3gdp n PRO 498 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3gdp h GLN 499 N 0.00 0.95 -0.66 0.54 3.07 -1.89 -1.95 115.11 115.18 3gdp h GLN 499 Ca 0.00 -0.06 0.05 0.00 0.09 0.00 0.00 58.65 58.74 3gdp h GLN 499 Cb 0.51 -0.21 -0.05 0.00 0.08 0.00 0.00 27.48 27.80 3gdp h GLN 499 CO 0.00 0.63 0.37 0.78 0.09 0.00 0.00 178.83 180.70 3gdp h GLY 500 N 0.98 0.96 0.95 0.06 0.00 -1.76 0.14 103.07 104.40 3gdp h GLY 500 Ca 0.36 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 3gdp h GLY 500 CO -0.12 0.17 -0.05 -2.75 0.00 0.00 0.00 176.54 173.79 3gdp h PHE 501 N 0.70 0.78 -0.12 5.60 3.57 -1.55 -1.94 116.94 123.98 3gdp h PHE 501 Ca 0.29 -0.15 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 3gdp h PHE 501 Cb 0.15 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3gdp h PHE 501 CO -0.07 0.82 -0.42 1.88 -2.23 0.00 0.00 178.31 178.29 3gdp h TYR 502 N 0.51 0.32 -0.24 0.41 0.99 -0.94 0.11 116.97 118.13 3gdp h TYR 502 Ca 0.10 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 3gdp h TYR 502 Cb 0.55 -0.07 -0.01 0.00 1.00 0.00 0.00 36.73 38.20 3gdp h TYR 502 CO 0.04 0.65 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.78 3gdp h LEU 503 N 0.22 0.42 -0.49 3.88 3.38 -0.66 -2.77 115.31 119.29 3gdp h LEU 503 Ca 0.02 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3gdp h LEU 503 Cb 0.84 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3gdp h LEU 503 CO 0.07 0.64 0.26 -0.03 0.09 0.00 0.00 178.44 179.46 3gdp h MET 504 N 0.20 0.69 -0.91 1.13 4.05 -1.13 -2.94 114.93 116.02 3gdp h MET 504 Ca 0.07 -0.09 0.13 0.00 -0.28 0.00 0.00 59.70 59.52 3gdp h MET 504 Cb 0.43 -0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 31.01 3gdp h MET 504 CO 0.01 0.56 0.54 1.25 0.23 0.00 0.00 176.91 179.50 3gdp h LEU 505 N 0.65 0.75 0.24 3.39 5.85 -0.66 0.08 115.31 125.60 3gdp h LEU 505 Ca 0.17 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3gdp h LEU 505 Cb 0.07 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3gdp h LEU 505 CO -0.03 0.38 -0.32 1.23 -0.34 0.00 0.00 178.44 179.36 3gdp h GLY 506 N 0.83 -0.68 1.33 3.75 0.00 -1.30 -1.53 103.07 105.47 3gdp h GLY 506 Ca 0.47 0.37 -0.15 0.00 0.00 0.00 0.00 47.33 48.02 3gdp h GLY 506 CO -0.29 -0.26 -0.40 -0.09 0.00 0.00 0.00 176.54 175.49 3gdp h ARG 507 N -0.62 0.73 -0.18 4.80 2.43 -1.54 -2.44 114.38 117.56 3gdp h ARG 507 Ca 0.00 -0.38 0.05 0.00 -0.81 0.00 0.00 59.98 58.84 3gdp h ARG 507 Cb 0.59 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 3gdp h ARG 507 CO -0.11 1.00 -0.23 -0.92 -1.51 0.00 0.00 179.97 178.20 3gdp h TYR 508 N 0.60 -0.62 -0.20 2.20 3.20 -0.75 0.17 116.97 121.57 3gdp h TYR 508 Ca 0.05 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3gdp h TYR 508 Cb 0.95 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 3gdp h TYR 508 CO 0.05 -0.31 -0.22 0.28 -1.64 0.00 0.00 178.16 176.32 3gdp h VAL 509 N -0.27 1.24 -0.57 1.81 2.07 -1.30 -1.63 116.25 117.61 3gdp h VAL 509 Ca 0.12 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.52 3gdp h VAL 509 Cb 0.45 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3gdp h VAL 509 CO -0.34 0.35 0.37 1.23 0.02 0.00 0.00 177.57 179.21 3gdp h GLY 510 N 0.96 0.80 1.27 2.17 0.00 -0.67 -0.65 103.07 106.95 3gdp h GLY 510 Ca 0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 3gdp h GLY 510 CO 0.04 0.28 -0.08 -2.22 0.00 0.00 0.00 176.54 174.56 3gdp h ILE 511 N 0.75 1.26 -0.75 2.60 1.08 -0.29 -1.66 117.51 120.50 3gdp h ILE 511 Ca 0.21 -1.16 -0.04 0.00 -0.39 0.00 0.00 64.86 63.48 3gdp h ILE 511 Cb -0.07 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 3gdp h ILE 511 CO -0.05 0.41 0.32 0.11 -0.69 0.00 0.00 178.15 178.24 3gdp h LYS 512 N 0.79 1.10 -0.46 2.37 1.79 -0.77 -0.13 116.57 121.25 3gdp h LYS 512 Ca 0.13 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 3gdp h LYS 512 Cb 0.58 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3gdp h LYS 512 CO 0.04 0.87 -0.03 0.82 -1.08 0.00 0.00 179.45 180.07 3gdp h ILE 513 N 1.08 1.27 -0.69 1.86 2.04 -0.79 -1.43 117.51 120.84 3gdp h ILE 513 Ca 0.25 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 3gdp h ILE 513 Cb 0.17 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3gdp h ILE 513 CO -0.03 0.38 0.19 -0.07 0.00 0.00 0.00 178.15 178.62 3gdp h LEU 514 N 0.68 1.02 -0.98 1.44 3.38 -0.90 -0.43 115.31 119.52 3gdp h LEU 514 Ca 0.13 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3gdp h LEU 514 Cb 0.54 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3gdp h LEU 514 CO 0.03 0.97 -0.13 1.56 0.09 0.00 0.00 178.44 180.96 3gdp h GLN 515 N 1.04 0.59 -0.45 1.13 4.20 -0.86 -0.64 115.11 120.13 3gdp h GLN 515 Ca 0.22 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 3gdp h GLN 515 Cb 0.34 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3gdp h GLN 515 CO -0.00 0.71 -0.16 1.49 -0.67 0.00 0.00 178.83 180.19 3gdp h GLU 516 N 0.54 0.90 -0.16 1.46 4.81 -0.74 -2.39 114.58 118.99 3gdp h GLU 516 Ca 0.10 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.87 3gdp h GLU 516 Cb 0.54 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3gdp h GLU 516 CO 0.03 1.02 -0.29 0.00 -0.73 0.00 0.00 179.01 179.04 3gdp h ARG 517 N 0.73 0.31 -0.58 1.92 2.47 -0.74 -2.60 114.38 115.89 3gdp h ARG 517 Ca 0.11 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 3gdp h ARG 517 Cb 0.72 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 3gdp h ARG 517 CO 0.06 0.58 0.14 0.77 0.56 0.00 0.00 179.97 182.07 3gdp h SER 518 N 0.27 0.88 0.58 7.04 0.02 -0.88 -2.30 113.55 119.17 3gdp h SER 518 Ca 0.04 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 3gdp h SER 518 Cb 0.66 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3gdp h SER 518 CO 0.05 0.89 -0.38 0.00 -1.14 0.00 0.00 176.83 176.25 3gdp h ALA 519 N 1.03 1.16 -0.18 3.77 0.00 -1.20 -3.07 119.26 120.76 3gdp h ALA 519 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gdp h ALA 519 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gdp h ALA 519 CO 0.00 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.60 3gdp n SER 520 N -3.79 2.71 0.00 0.00 3.41 -1.00 -5.12 113.62 109.83 3gdp n SER 520 Ca -0.01 -1.87 0.04 0.00 -0.26 0.00 0.00 58.87 56.77 3gdp n SER 520 Cb 0.46 -0.11 0.25 0.00 -0.26 0.00 0.00 64.21 64.55 3gdp n SER 520 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35