#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 4.15 -0.09 -1.18 0.00 0.71 -4.50 121.76 120.85 3gdp s ALA 2 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.36 3gdp s ALA 2 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 3gdp s ALA 2 CO 0.00 -0.79 -0.16 0.99 0.00 0.00 0.00 175.76 175.80 3gdp s THR 3 N -2.72 2.82 0.04 0.00 2.01 -1.26 -4.71 115.64 111.82 3gdp s THR 3 Ca 0.59 -0.77 -0.38 0.00 0.31 0.00 0.00 61.69 61.44 3gdp s THR 3 Cb -0.09 -2.13 -0.19 0.00 0.01 0.00 0.00 72.50 70.10 3gdp s THR 3 CO 0.38 0.56 0.99 0.41 -0.69 0.00 0.00 174.62 176.27 3gdp n THR 4 N 3.04 0.37 -3.79 -0.82 -1.04 -1.26 -4.96 114.28 105.82 3gdp n THR 4 Ca -0.18 -0.09 -0.04 0.00 -2.04 0.00 0.00 64.05 61.70 3gdp n THR 4 Cb 0.52 -0.07 -0.01 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.14 -0.13 0.73 8.00 1.04 -1.26 -5.08 113.70 116.85 3gdp s SER 5 Ca 0.86 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 3gdp s SER 5 Cb -1.18 0.54 0.04 0.00 0.10 0.00 0.00 66.02 65.51 3gdp s SER 5 CO 0.56 -1.01 1.10 -1.81 0.98 0.00 0.00 173.24 173.06 3gdp s ASP 6 N -3.04 4.68 0.13 7.02 1.01 -1.26 -4.92 116.67 120.30 3gdp s ASP 6 Ca 0.14 1.91 -0.31 0.00 0.71 0.00 0.00 52.55 55.00 3gdp s ASP 6 Cb -0.02 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 3gdp s ASP 6 CO 0.04 -1.92 1.70 -2.28 0.21 0.00 0.00 175.17 172.92 3gdp s HIS 7 N -2.66 2.59 -0.63 4.23 2.46 -1.26 -4.90 115.29 115.11 3gdp s HIS 7 Ca 0.64 0.30 -0.27 0.00 0.47 0.00 0.00 55.06 56.20 3gdp s HIS 7 Cb -0.19 -4.05 0.04 0.00 -0.13 0.00 0.00 32.58 28.25 3gdp s HIS 7 CO 0.50 -4.14 1.15 0.34 -2.47 0.00 0.00 174.74 170.13 3gdp s ASP 8 N 1.96 6.31 -0.40 9.88 -1.08 -1.26 -4.89 116.67 127.19 3gdp s ASP 8 Ca 0.75 -0.26 0.06 0.00 -0.52 0.00 0.00 52.55 52.58 3gdp s ASP 8 Cb -0.44 -2.52 0.67 0.00 -1.46 0.00 0.00 42.92 39.16 3gdp s ASP 8 CO 0.33 -1.55 1.83 0.49 0.52 0.00 0.00 175.17 176.80 3gdp n PHE 9 N 8.49 2.66 0.15 -5.34 3.01 -1.26 -4.58 117.46 120.59 3gdp n PHE 9 Ca 0.04 -1.64 0.09 0.00 1.01 0.00 0.00 57.45 56.95 3gdp n PHE 9 Cb 0.48 -0.82 0.59 0.00 -0.01 0.00 0.00 39.48 39.72 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 1.45 0.13 0.23 4.37 0.02 -1.98 -1.82 113.55 115.95 3gdp h SER 10 Ca 0.49 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 3gdp h SER 10 Cb 2.58 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 65.09 3gdp h SER 10 CO 0.92 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 176.70 3gdp n TYR 11 N -4.50 0.26 0.32 3.45 0.18 -1.26 -2.52 117.16 113.08 3gdp n TYR 11 Ca 0.01 0.12 0.22 0.00 1.88 0.00 0.00 57.90 60.12 3gdp n TYR 11 Cb 0.16 -0.69 1.15 0.00 -0.38 0.00 0.00 39.34 39.58 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 -2.13 -3.48 3.38 -1.70 -1.20 115.31 110.18 3gdp h LEU 12 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gdp h LEU 12 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gdp h LEU 12 CO 0.00 0.00 -0.06 0.77 0.09 0.00 0.00 178.44 179.24 3gdp h SER 13 N 0.00 0.00 0.00 -0.43 4.64 -1.73 -2.61 113.55 113.41 3gdp h SER 13 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3gdp h SER 13 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3gdp h SER 13 CO 0.00 0.06 -0.30 2.22 -0.87 0.00 0.00 176.83 177.94 3gdp n PHE 14 N -3.95 0.00 -4.10 4.77 1.16 -0.46 -5.01 117.46 109.88 3gdp n PHE 14 Ca -0.03 -1.21 -0.35 0.00 -1.87 0.00 0.00 57.45 54.00 3gdp n PHE 14 Cb 0.15 -0.20 -0.09 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 -2.89 3.41 0.07 1.98 0.00 -0.99 -1.26 121.76 122.08 3gdp s ALA 15 Ca 0.34 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.58 3gdp s ALA 15 Cb 0.32 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 3gdp s ALA 15 CO -0.03 0.33 -0.09 0.71 0.00 0.00 0.00 175.76 176.68 3gdp s TYR 16 N -0.08 0.85 0.30 0.00 1.51 0.13 -4.96 117.35 115.10 3gdp s TYR 16 Ca 0.06 -0.61 -0.26 0.00 -1.01 0.00 0.00 57.07 55.25 3gdp s TYR 16 Cb -0.12 -0.49 -0.10 0.00 -0.11 0.00 0.00 41.96 41.14 3gdp s TYR 16 CO 0.01 -0.07 0.93 0.34 -1.11 0.00 0.00 175.55 175.65 3gdp s ASP 17 N -2.07 7.38 0.55 2.29 -1.08 -1.26 -0.71 116.67 121.77 3gdp s ASP 17 Ca -0.02 1.83 0.29 0.00 -0.52 0.00 0.00 52.55 54.13 3gdp s ASP 17 Cb -0.05 -2.57 1.46 0.00 -1.46 0.00 0.00 42.92 40.29 3gdp s ASP 17 CO -0.01 -0.01 1.92 0.00 0.52 0.00 0.00 175.17 177.59 3gdp h ALA 18 N 3.39 2.57 0.00 3.66 0.00 -1.32 0.25 119.26 127.81 3gdp h ALA 18 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3gdp h ALA 18 Cb 1.19 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gdp h ALA 18 CO 0.66 -0.89 -0.04 1.79 0.00 0.00 0.00 179.25 180.76 3gdp h THR 19 N 0.00 0.14 -0.22 0.00 1.35 -1.87 -2.39 112.91 109.92 3gdp h THR 19 Ca 0.32 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3gdp h THR 19 Cb 1.40 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3gdp h THR 19 CO -0.00 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 175.78 3gdp n ASP 20 N -3.19 3.11 -4.89 5.36 8.00 0.86 -4.94 116.55 120.86 3gdp n ASP 20 Ca -0.00 -1.96 -0.29 0.00 0.71 0.00 0.00 54.79 53.24 3gdp n ASP 20 Cb 0.27 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.73 3.88 0.64 0.64 1.43 -0.90 -4.95 118.68 117.69 3gdp s LEU 21 Ca 0.34 0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 54.19 3gdp s LEU 21 Cb 0.21 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 3gdp s LEU 21 CO 0.31 -0.36 1.22 -1.83 0.23 0.00 0.00 176.35 175.93 3gdp s GLU 22 N -3.93 2.69 0.33 1.70 1.03 -1.26 -4.92 118.70 114.35 3gdp s GLU 22 Ca 0.48 1.85 0.12 0.00 0.03 0.00 0.00 54.97 57.45 3gdp s GLU 22 Cb -0.10 -1.89 0.58 0.00 -0.80 0.00 0.00 34.13 31.92 3gdp s GLU 22 CO 0.33 -1.43 1.74 -0.07 -1.33 0.00 0.00 175.26 174.50 3gdp h LEU 23 N 0.53 0.00 -7.16 1.83 3.38 -1.92 -3.42 115.31 108.55 3gdp h LEU 23 Ca -0.50 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.06 3gdp h LEU 23 Cb 1.30 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.66 3gdp h LEU 23 CO 0.53 0.47 -0.74 -0.70 0.09 0.00 0.00 178.44 178.09 3gdp s GLU 24 N -3.92 0.00 0.23 1.13 2.12 -1.26 -0.49 118.70 116.52 3gdp s GLU 24 Ca -0.02 0.15 0.08 0.00 0.36 0.00 0.00 54.97 55.54 3gdp s GLU 24 Cb 0.13 -1.18 -0.05 0.00 0.26 0.00 0.00 34.13 33.29 3gdp s GLU 24 CO 0.74 -0.51 -0.13 0.20 -0.54 0.00 0.00 175.26 175.02 3gdp s GLY 25 N 2.16 1.55 -0.06 -1.50 0.00 -0.08 -5.00 107.32 104.39 3gdp s GLY 25 Ca 0.03 -1.73 0.03 0.00 0.00 0.00 0.00 44.72 43.05 3gdp s GLY 25 CO -0.06 -1.79 -0.15 -0.45 0.00 0.00 0.00 173.10 170.64 3gdp s SER 26 N -3.36 2.05 0.25 1.64 0.15 -1.26 -0.32 113.70 112.84 3gdp s SER 26 Ca 0.25 -0.35 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 3gdp s SER 26 Cb -0.00 -0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 63.44 3gdp s SER 26 CO 0.09 0.08 0.27 -0.31 1.20 0.00 0.00 173.24 174.57 3gdp s TYR 27 N 0.45 1.09 -0.03 3.44 1.51 0.20 -4.95 117.35 119.05 3gdp s TYR 27 Ca -0.12 -1.29 -0.14 0.00 -1.01 0.00 0.00 57.07 54.51 3gdp s TYR 27 Cb -0.15 -0.38 -0.32 0.00 -0.11 0.00 0.00 41.96 41.01 3gdp s TYR 27 CO 0.04 -0.81 0.78 -0.44 -1.11 0.00 0.00 175.55 174.01 3gdp h ASP 28 N 2.40 0.65 -3.86 2.29 3.32 -1.20 0.82 116.42 120.84 3gdp h ASP 28 Ca -0.31 -0.92 -0.30 0.00 0.02 0.00 0.00 57.03 55.51 3gdp h ASP 28 Cb 1.25 -0.21 -0.28 0.00 0.22 0.00 0.00 39.33 40.30 3gdp h ASP 28 CO 0.45 1.70 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.62 3gdp s TYR 29 N -2.55 0.35 -0.15 4.55 1.51 -0.85 -2.14 117.35 118.07 3gdp s TYR 29 Ca -0.14 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3gdp s TYR 29 Cb 0.04 -0.23 0.02 0.00 -0.11 0.00 0.00 41.96 41.68 3gdp s TYR 29 CO 0.87 -0.01 -0.18 0.08 -1.11 0.00 0.00 175.55 175.21 3gdp s VAL 30 N -0.08 1.81 -0.20 0.71 1.01 -0.97 -1.53 120.40 121.14 3gdp s VAL 30 Ca 0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3gdp s VAL 30 Cb -0.02 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3gdp s VAL 30 CO -0.00 0.50 -0.01 -0.63 0.00 0.00 0.00 175.10 174.96 3gdp s ILE 31 N 1.23 3.82 -0.38 2.22 1.09 0.23 -1.12 121.20 128.28 3gdp s ILE 31 Ca 0.01 -0.36 -0.19 0.00 -1.10 0.00 0.00 60.65 59.02 3gdp s ILE 31 Cb -0.14 -2.73 0.01 0.00 -1.06 0.00 0.00 42.46 38.54 3gdp s ILE 31 CO -0.08 0.43 0.56 -0.69 -0.10 0.00 0.00 174.94 175.05 3gdp s VAL 32 N 1.08 4.96 0.00 2.92 1.01 -0.13 -1.28 120.40 128.96 3gdp s VAL 32 Ca 0.02 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3gdp s VAL 32 Cb -0.14 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3gdp s VAL 32 CO 0.01 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.39 3gdp n GLY 33 N 4.85 0.63 2.55 4.51 0.00 0.46 -0.44 105.19 117.77 3gdp n GLY 33 Ca -0.04 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 2.42 5.29 0.00 -0.02 0.00 -1.25 -4.30 105.19 107.33 3gdp n GLY 34 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 1.60 2.32 0.21 -0.02 0.00 -1.26 -0.03 105.19 108.00 3gdp n GLY 35 Ca 0.57 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 0.58 0.17 2.61 2.02 -1.90 -1.44 112.91 114.95 3gdp h THR 36 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 3gdp h THR 36 Cb 0.00 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3gdp h THR 36 CO 0.00 0.00 -1.62 0.28 0.37 0.00 0.00 175.52 174.55 3gdp h SER 37 N -0.21 0.55 -0.65 4.18 0.02 -1.86 -3.39 113.55 112.20 3gdp h SER 37 Ca 0.09 -0.76 0.08 0.00 -0.84 0.00 0.00 61.79 60.35 3gdp h SER 37 Cb 0.34 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3gdp h SER 37 CO -0.24 1.64 0.32 1.23 -1.14 0.00 0.00 176.83 178.64 3gdp h GLY 38 N 1.03 0.95 0.81 -3.77 0.00 -1.72 -2.35 103.07 98.03 3gdp h GLY 38 Ca -0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3gdp h GLY 38 CO 0.18 0.08 -0.10 0.00 0.00 0.00 0.00 176.54 176.71 3gdp h PRO 40 N -0.47 0.10 0.06 0.00 0.13 -1.74 -0.79 132.00 129.28 3gdp h PRO 40 Ca -0.03 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3gdp h PRO 40 Cb 0.36 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.47 3gdp h PRO 40 CO 0.05 0.29 -0.03 1.25 -0.23 0.00 0.00 178.00 179.33 3gdp h LEU 41 N 0.09 -0.06 -0.35 1.56 5.85 -1.29 -1.69 115.31 119.41 3gdp h LEU 41 Ca 0.02 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3gdp h LEU 41 Cb 0.40 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3gdp h LEU 41 CO 0.03 0.18 0.15 0.00 -0.34 0.00 0.00 178.44 178.46 3gdp h ALA 42 N 0.62 0.42 -0.62 1.25 0.00 -0.75 -1.66 119.26 118.52 3gdp h ALA 42 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gdp h ALA 42 Cb 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3gdp h ALA 42 CO 0.01 -0.24 0.40 0.00 0.00 0.00 0.00 179.25 179.43 3gdp h ALA 43 N 1.20 0.80 0.08 0.00 0.00 -1.11 -1.21 119.26 119.03 3gdp h ALA 43 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gdp h ALA 43 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gdp h ALA 43 CO -0.13 0.19 -0.04 1.15 0.00 0.00 0.00 179.25 180.42 3gdp h THR 44 N 0.81 0.99 -0.38 0.00 2.02 -0.99 -2.78 112.91 112.58 3gdp h THR 44 Ca 0.24 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3gdp h THR 44 Cb -0.05 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3gdp h THR 44 CO -0.07 0.06 0.17 -0.07 0.37 0.00 0.00 175.52 175.98 3gdp h LEU 45 N -0.21 0.47 0.00 2.58 3.38 -1.18 -1.81 115.31 118.55 3gdp h LEU 45 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gdp h LEU 45 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gdp h LEU 45 CO 0.02 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 177.43 3gdp n SER 46 N -4.40 0.00 0.25 -0.43 3.41 -0.47 -1.29 113.62 110.68 3gdp n SER 46 Ca 0.02 0.49 0.09 0.00 -0.26 0.00 0.00 58.87 59.21 3gdp n SER 46 Cb 0.13 -0.49 0.62 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.26 -3.35 114.58 119.38 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 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3gdp h GLU 47 CO 0.00 0.13 -0.51 1.63 -1.00 0.00 0.00 179.01 179.26 3gdp n LYS 48 N -4.10 2.51 -4.53 2.33 5.02 -0.97 -4.95 118.16 113.47 3gdp n LYS 48 Ca -0.02 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 3gdp n LYS 48 Cb 0.21 -0.76 -0.11 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.26 2.29 -0.28 2.13 1.51 -0.42 -5.10 117.35 116.23 3gdp s TYR 49 Ca 0.00 -0.65 -0.28 0.00 -1.01 0.00 0.00 57.07 55.14 3gdp s TYR 49 Cb 0.00 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 3gdp s TYR 49 CO 0.00 0.41 0.99 0.15 -1.11 0.00 0.00 175.55 175.99 3gdp s LYS 50 N -3.70 4.11 0.01 -0.62 -0.14 -1.26 -4.08 119.74 114.07 3gdp s LYS 50 Ca 0.33 1.05 0.08 0.00 -1.36 0.00 0.00 55.97 56.07 3gdp s LYS 50 Cb 0.06 -3.70 -0.02 0.00 -1.68 0.00 0.00 37.83 32.48 3gdp s LYS 50 CO 0.16 -0.75 -0.24 0.08 -0.76 0.00 0.00 175.35 173.84 3gdp s VAL 51 N 3.32 1.95 -0.11 3.17 1.01 -0.22 -0.71 120.40 128.81 3gdp s VAL 51 Ca 0.42 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3gdp s VAL 51 Cb -0.14 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3gdp s VAL 51 CO 0.11 0.43 -0.16 -0.22 0.00 0.00 0.00 175.10 175.27 3gdp s LEU 52 N -0.88 1.78 -0.15 3.92 2.96 -0.58 -1.45 118.68 124.28 3gdp s LEU 52 Ca 0.10 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3gdp s LEU 52 Cb -0.09 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 3gdp s LEU 52 CO 0.00 0.03 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.32 3gdp s VAL 53 N 0.89 3.64 -0.24 1.68 1.01 -0.31 -0.60 120.40 126.47 3gdp s VAL 53 Ca -0.08 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3gdp s VAL 53 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.67 3gdp s VAL 53 CO -0.00 0.50 -0.07 -0.76 0.00 0.00 0.00 175.10 174.77 3gdp s LEU 54 N 0.44 3.10 -0.10 3.92 1.43 -0.40 0.17 118.68 127.24 3gdp s LEU 54 Ca -0.05 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 3gdp s LEU 54 Cb -0.15 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 3gdp s LEU 54 CO 0.03 -0.11 -0.23 -0.70 0.23 0.00 0.00 176.35 175.58 3gdp s GLU 55 N 1.34 3.09 0.33 1.70 2.56 0.49 -0.40 118.70 127.82 3gdp s GLU 55 Ca 0.01 -0.86 0.12 0.00 0.00 0.00 0.00 54.97 54.25 3gdp s GLU 55 Cb -0.16 -2.34 0.57 0.00 2.00 0.00 0.00 34.13 34.19 3gdp s GLU 55 CO -0.05 0.18 1.73 0.07 -0.56 0.00 0.00 175.26 176.63 3gdp h ARG 56 N 6.71 0.00 0.00 4.30 0.11 -1.73 0.66 114.38 124.43 3gdp h ARG 56 Ca -0.20 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.61 3gdp h ARG 56 Cb 1.24 0.00 0.09 0.00 1.11 0.00 0.00 29.97 32.40 3gdp h ARG 56 CO 0.48 0.48 0.19 0.41 0.10 0.00 0.00 179.97 181.63 3gdp n GLY 57 N -0.10 -0.61 3.97 0.08 0.00 -1.26 -3.50 105.19 103.77 3gdp n GLY 57 Ca -0.01 -1.81 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.79 4.06 0.52 1.61 0.01 -1.26 -1.55 113.70 113.30 3gdp s SER 58 Ca 0.44 -0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.35 3gdp s SER 58 Cb -0.02 -0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.01 3gdp s SER 58 CO 0.30 -2.07 1.02 -0.76 0.41 0.00 0.00 173.24 172.14 3gdp s LEU 59 N -5.33 3.70 0.47 2.44 1.43 -1.26 -0.97 118.68 119.15 3gdp s LEU 59 Ca 0.68 1.77 0.16 0.00 -1.03 0.00 0.00 54.13 55.71 3gdp s LEU 59 Cb -0.05 -4.54 1.14 0.00 0.03 0.00 0.00 46.19 42.77 3gdp s LEU 59 CO 0.46 -0.79 2.01 -0.65 0.23 0.00 0.00 176.35 177.61 3gdp h PRO 60 N 1.11 0.26 0.00 1.29 0.11 -1.94 -1.47 132.00 131.37 3gdp h PRO 60 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gdp h PRO 60 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gdp h PRO 60 CO 0.59 0.17 0.00 1.79 -0.21 0.00 0.00 178.00 180.35 3gdp h THR 61 N 0.27 0.00 0.00 -1.15 1.35 -1.98 -1.55 112.91 109.86 3gdp h THR 61 Ca 0.23 -0.03 -0.00 0.00 -0.55 0.00 0.00 66.41 66.07 3gdp h THR 61 Cb 0.56 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3gdp h THR 61 CO -0.05 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 175.22 3gdp h ALA 62 N 2.00 1.00 -2.61 6.62 0.00 -1.64 -3.36 119.26 121.28 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 0.03 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.42 3gdp h ALA 62 CO 0.00 0.00 -0.86 0.71 0.00 0.00 0.00 179.25 179.10 3gdp s TYR 63 N -3.60 1.37 0.48 0.00 1.51 -0.58 -5.02 117.35 111.51 3gdp s TYR 63 Ca 0.02 -2.22 0.32 0.00 -1.01 0.00 0.00 57.07 54.18 3gdp s TYR 63 Cb 0.08 -1.26 1.42 0.00 -0.11 0.00 0.00 41.96 42.10 3gdp s TYR 63 CO 0.56 -0.79 1.73 -1.35 -1.11 0.00 0.00 175.55 174.59 3gdp h PRO 64 N 6.23 0.12 0.00 -1.71 0.11 -1.72 -2.01 132.00 133.02 3gdp h PRO 64 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3gdp h PRO 64 Cb 0.92 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3gdp h PRO 64 CO 0.39 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 3gdp n ASN 65 N -4.39 0.00 -0.39 -2.05 3.02 -1.26 -1.74 115.26 108.46 3gdp n ASN 65 Ca 0.30 -0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.99 3gdp n ASN 65 Cb 1.28 -0.26 0.46 0.00 -0.61 0.00 0.00 39.78 40.66 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 -1.26 0.00 0.40 2.41 0.24 -0.76 -4.02 118.33 115.34 3gdp n VAL 66 Ca 0.08 -0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.30 3gdp n VAL 66 Cb 0.12 0.46 0.22 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.16 3.35 -4.06 1.34 4.77 -0.71 -4.79 117.00 116.74 3gdp n LEU 67 Ca 0.16 -1.43 -0.08 0.00 -0.03 0.00 0.00 56.01 54.63 3gdp n LEU 67 Cb 0.35 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 3gdp n LEU 67 CO 0.20 0.71 -0.36 0.42 -1.33 0.00 0.00 177.39 177.03 3gdp s THR 68 N -1.54 0.25 0.21 -5.08 -4.23 -1.26 -1.10 115.64 102.90 3gdp s THR 68 Ca 0.38 -1.50 -0.07 0.00 -1.18 0.00 0.00 61.69 59.32 3gdp s THR 68 Cb 0.22 -1.09 0.09 0.00 1.34 0.00 0.00 72.50 73.07 3gdp s THR 68 CO 0.31 -0.79 1.69 0.00 -0.54 0.00 0.00 174.62 175.29 3gdp h ALA 69 N 3.68 0.93 0.00 3.99 0.00 -1.24 -2.48 119.26 124.14 3gdp h ALA 69 Ca -0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3gdp h ALA 69 Cb 1.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3gdp h ALA 69 CO 0.57 0.65 0.00 -0.25 0.00 0.00 0.00 179.25 180.22 3gdp n ASP 70 N -4.20 0.00 -0.44 0.00 8.00 -1.26 -2.29 116.55 116.37 3gdp n ASP 70 Ca 0.03 -0.77 0.12 0.00 0.71 0.00 0.00 54.79 54.89 3gdp n ASP 70 Cb 0.32 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.59 3gdp n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gdp n GLY 71 N 0.48 -0.13 0.39 0.44 0.00 -0.93 -4.51 105.19 100.92 3gdp n GLY 71 Ca 0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 2.14 -1.13 -0.70 1.61 3.57 -1.53 -2.27 116.94 118.63 3gdp h PHE 72 Ca 0.00 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3gdp h PHE 72 Cb 0.67 0.50 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 3gdp h PHE 72 CO 0.00 -0.47 0.17 0.28 -2.23 0.00 0.00 178.31 176.06 3gdp h VAL 73 N -0.52 1.26 -0.48 1.41 2.07 -1.83 -3.10 116.25 115.06 3gdp h VAL 73 Ca 0.06 -0.97 0.10 0.00 0.82 0.00 0.00 66.70 66.71 3gdp h VAL 73 Cb 0.62 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 3gdp h VAL 73 CO -0.35 0.37 -0.03 0.22 0.02 0.00 0.00 177.57 177.81 3gdp h TYR 74 N 1.06 -0.09 -0.99 1.57 3.20 -1.70 -1.08 116.97 118.94 3gdp h TYR 74 Ca 0.22 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.18 3gdp h TYR 74 Cb 0.38 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.70 3gdp h TYR 74 CO 0.03 -0.14 0.64 -0.91 -1.64 0.00 0.00 178.16 176.15 3gdp h ASN 75 N 0.08 1.05 0.47 -2.11 -0.26 -1.34 -1.38 115.58 112.08 3gdp h ASN 75 Ca 0.24 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.88 3gdp h ASN 75 Cb 0.37 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 3gdp h ASN 75 CO -0.43 0.69 -0.49 -0.07 -1.06 0.00 0.00 177.43 176.07 3gdp h LEU 76 N 1.20 0.04 -0.29 1.61 3.38 -1.31 -3.10 115.31 116.83 3gdp h LEU 76 Ca 0.41 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.27 3gdp h LEU 76 Cb 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gdp h LEU 76 CO -0.15 0.52 -0.47 1.56 0.09 0.00 0.00 178.44 179.99 3gdp h GLN 77 N 0.03 0.00 -6.74 1.13 4.20 -0.20 -1.44 115.11 112.09 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 0.88 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.72 3gdp h GLN 77 CO 0.07 0.47 0.83 -1.14 -0.67 0.00 0.00 178.83 178.38 3gdp s GLN 78 N -3.14 4.21 0.44 1.46 0.74 -0.70 -4.85 119.66 117.82 3gdp s GLN 78 Ca 0.03 2.41 -0.26 0.00 0.05 0.00 0.00 55.36 57.59 3gdp s GLN 78 Cb 0.09 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 31.02 3gdp s GLN 78 CO 0.73 -0.53 1.42 -1.91 -0.55 0.00 0.00 175.29 174.45 3gdp n GLU 79 N 2.60 2.24 -2.80 1.67 4.07 -1.26 -4.92 120.64 122.24 3gdp n GLU 79 Ca 0.09 0.80 -0.43 0.00 -0.06 0.00 0.00 57.16 57.56 3gdp n GLU 79 Cb 0.39 -2.60 -0.04 0.00 -0.06 0.00 0.00 31.44 29.13 3gdp n GLU 79 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3gdp s ASP 80 N -0.45 6.29 -0.07 4.31 -1.08 -1.26 -4.86 116.67 119.56 3gdp s ASP 80 Ca 0.60 -0.50 0.20 0.00 -0.52 0.00 0.00 52.55 52.34 3gdp s ASP 80 Cb -0.46 -2.45 0.70 0.00 -1.46 0.00 0.00 42.92 39.25 3gdp s ASP 80 CO 0.58 -1.35 1.60 -0.90 0.52 0.00 0.00 175.17 175.62 3gdp n ASP 81 N 7.75 4.47 0.00 -0.34 5.68 -1.26 -4.92 116.55 127.93 3gdp n ASP 81 Ca 0.01 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 3gdp n ASP 81 Cb 0.47 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 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 1.38 1.54 0.00 6.12 0.00 -1.26 -4.79 105.19 108.18 3gdp n GLY 82 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.90 -1.46 1.61 4.76 -1.26 -5.08 118.16 115.63 3gdp n LYS 83 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 3gdp n LYS 83 Cb 0.00 -0.93 0.09 0.00 -1.84 0.00 0.00 35.03 32.36 3gdp n LYS 83 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3gdp s THR 84 N -1.71 2.13 0.06 -0.18 -4.23 -1.26 -4.66 115.64 105.79 3gdp s THR 84 Ca 0.00 0.07 0.31 0.00 -1.18 0.00 0.00 61.69 60.88 3gdp s THR 84 Cb 0.00 -2.74 0.32 0.00 1.34 0.00 0.00 72.50 71.41 3gdp s THR 84 CO 0.00 -0.03 1.93 1.55 -0.54 0.00 0.00 174.62 177.53 3gdp h PRO 85 N -0.14 0.00 -4.69 3.99 0.13 -1.95 -3.39 132.00 125.94 3gdp h PRO 85 Ca -0.48 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.95 3gdp h PRO 85 Cb 1.31 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.13 3gdp h PRO 85 CO 0.50 0.00 -0.64 0.08 -0.23 0.00 0.00 178.00 177.71 3gdp s VAL 86 N -3.71 3.41 -0.22 1.56 1.01 -1.26 -1.11 120.40 120.08 3gdp s VAL 86 Ca -0.02 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.46 3gdp s VAL 86 Cb 0.09 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3gdp s VAL 86 CO 0.34 -0.21 0.43 -0.70 0.00 0.00 0.00 175.10 174.96 3gdp s GLU 87 N 1.31 4.14 0.18 2.72 2.12 -0.26 -4.78 118.70 124.14 3gdp s GLU 87 Ca -0.02 0.22 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 3gdp s GLU 87 Cb -0.20 -3.57 -0.08 0.00 0.26 0.00 0.00 34.13 30.54 3gdp s GLU 87 CO 0.00 -0.12 0.63 1.03 -0.54 0.00 0.00 175.26 176.27 3gdp s ARG 88 N 1.57 4.12 0.11 4.30 0.52 -1.26 -1.33 118.95 126.98 3gdp s ARG 88 Ca 0.19 0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 55.90 3gdp s ARG 88 Cb -0.15 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.45 3gdp s ARG 88 CO 0.09 0.44 0.44 -0.59 0.02 0.00 0.00 175.30 175.70 3gdp s PHE 89 N -1.48 -0.29 -0.10 -0.53 -0.12 -0.51 -4.98 117.98 109.98 3gdp s PHE 89 Ca 0.40 0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.36 3gdp s PHE 89 Cb -0.16 0.31 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 3gdp s PHE 89 CO 0.20 -0.70 -0.14 0.08 -0.05 0.00 0.00 175.22 174.61 3gdp s VAL 90 N -3.47 1.35 0.86 -2.49 1.01 -1.26 -0.35 120.40 116.05 3gdp s VAL 90 Ca 0.01 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 3gdp s VAL 90 Cb 0.01 -1.25 0.11 0.00 0.00 0.00 0.00 36.38 35.25 3gdp s VAL 90 CO -0.10 0.41 1.09 -0.94 0.00 0.00 0.00 175.10 175.57 3gdp s SER 91 N 0.95 3.77 0.31 3.32 1.04 -0.79 -4.78 113.70 117.52 3gdp s SER 91 Ca -0.08 1.61 0.24 0.00 0.48 0.00 0.00 55.95 58.20 3gdp s SER 91 Cb -0.15 -2.29 1.13 0.00 0.10 0.00 0.00 66.02 64.80 3gdp s SER 91 CO -0.00 -2.47 1.73 -0.08 0.98 0.00 0.00 173.24 173.40 3gdp h GLU 92 N -1.43 0.00 0.00 4.02 4.81 -1.01 0.03 114.58 121.00 3gdp h GLU 92 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3gdp h GLU 92 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3gdp h GLU 92 CO 0.53 0.00 0.00 -0.44 -0.73 0.00 0.00 179.01 178.37 3gdp h ASP 93 N 0.00 0.00 0.00 1.04 5.19 -1.90 -3.47 116.42 117.28 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 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 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 0.89 0.90 3.53 2.75 0.00 -0.00 -5.08 105.19 108.18 3gdp n GLY 94 Ca 0.04 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 4.80 0.49 -0.61 -1.09 -1.25 -4.84 121.20 116.69 3gdp s ILE 95 Ca 0.00 -0.01 -0.23 0.00 -2.23 0.00 0.00 60.65 58.18 3gdp s ILE 95 Cb 0.00 -3.25 -0.07 0.00 -1.58 0.00 0.00 42.46 37.56 3gdp s ILE 95 CO 0.00 0.32 1.32 -1.81 -1.23 0.00 0.00 174.94 173.54 3gdp s ASP 96 N 1.48 5.75 0.30 3.58 1.01 -0.76 -1.89 116.67 126.14 3gdp s ASP 96 Ca 0.06 2.68 -0.14 0.00 0.71 0.00 0.00 52.55 55.86 3gdp s ASP 96 Cb -0.15 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.16 3gdp s ASP 96 CO 0.06 -1.23 0.61 0.21 0.21 0.00 0.00 175.17 175.02 3gdp s ASN 97 N -0.92 0.02 0.08 0.27 3.84 0.53 -4.58 114.94 114.19 3gdp s ASN 97 Ca 0.65 -0.96 -0.11 0.00 0.21 0.00 0.00 52.86 52.65 3gdp s ASN 97 Cb -0.38 0.69 0.01 0.00 -0.55 0.00 0.00 41.25 41.02 3gdp s ASN 97 CO 0.47 -1.33 0.24 0.68 -2.79 0.00 0.00 177.10 174.37 3gdp s VAL 98 N -3.52 0.12 0.03 -5.21 -7.23 -1.26 -1.42 120.40 101.91 3gdp s VAL 98 Ca 0.19 -0.96 -0.04 0.00 -1.81 0.00 0.00 61.98 59.35 3gdp s VAL 98 Cb -0.03 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 3gdp s VAL 98 CO 0.11 -0.53 0.07 0.00 -0.31 0.00 0.00 175.10 174.43 3gdp s ARG 99 N -3.50 0.52 0.58 4.82 1.70 -0.44 -4.97 118.95 117.66 3gdp s ARG 99 Ca 0.02 -0.70 -0.17 0.00 -0.47 0.00 0.00 55.73 54.41 3gdp s ARG 99 Cb 0.03 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 3gdp s ARG 99 CO -0.09 -0.12 1.09 0.20 -1.08 0.00 0.00 175.30 175.30 3gdp s GLY 100 N -1.92 2.33 -0.45 3.88 0.00 -1.26 -1.10 107.32 108.79 3gdp s GLY 100 Ca -0.08 0.59 0.07 0.00 0.00 0.00 0.00 44.72 45.29 3gdp s GLY 100 CO -0.03 0.93 0.67 -2.13 0.00 0.00 0.00 173.10 172.53 3gdp n ARG 101 N -1.77 0.63 -3.54 2.90 0.63 -0.27 -4.74 116.66 110.50 3gdp n ARG 101 Ca 0.10 -2.46 -0.07 0.00 -0.92 0.00 0.00 57.85 54.50 3gdp n ARG 101 Cb 0.52 -1.41 -0.02 0.00 0.45 0.00 0.00 32.46 31.99 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 0.03 0.00 0.14 5.15 0.11 -1.26 -4.01 120.40 120.56 3gdp s VAL 102 Ca 0.33 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.06 3gdp s VAL 102 Cb 0.15 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.90 3gdp s VAL 102 CO -0.17 0.00 1.51 -0.22 -3.33 0.00 0.00 175.10 172.90 3gdp s LEU 103 N -2.33 4.37 0.00 2.54 2.96 -0.14 -0.66 118.68 125.41 3gdp s LEU 103 Ca 0.07 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 3gdp s LEU 103 Cb -0.01 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3gdp s LEU 103 CO -0.07 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 174.80 3gdp n GLY 104 N 3.69 1.49 7.00 7.98 0.00 0.96 -4.52 105.19 121.78 3gdp n GLY 104 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.12 1.03 0.08 -0.02 0.00 0.17 -3.04 105.19 102.28 3gdp n GLY 105 Ca 0.00 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 0.83 0.51 2.61 -1.04 -1.26 -1.96 114.28 113.96 3gdp n THR 106 Ca 0.00 0.19 0.10 0.00 -2.04 0.00 0.00 64.05 62.30 3gdp n THR 106 Cb 0.00 -1.04 0.42 0.00 -1.82 0.00 0.00 70.33 67.89 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 -1.98 0.34 0.04 8.00 3.41 -1.17 -1.98 113.62 120.28 3gdp n SER 107 Ca 0.03 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3gdp n SER 107 Cb 0.23 -0.65 0.24 0.00 -0.26 0.00 0.00 64.21 63.77 3gdp n SER 107 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3gdp n ILE 108 N -1.86 0.25 -0.32 -1.33 2.08 -0.83 -4.17 119.36 113.17 3gdp n ILE 108 Ca 0.03 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.16 3gdp n ILE 108 Cb 0.23 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 3gdp n ILE 108 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 3gdp n ILE 109 N -1.92 0.39 -1.60 1.39 -5.35 -0.91 -4.79 119.36 106.57 3gdp n ILE 109 Ca 0.04 -0.53 -0.15 0.00 -0.27 0.00 0.00 62.75 61.84 3gdp n ILE 109 Cb 0.41 0.94 0.10 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.20 0.13 -0.29 7.28 0.23 -0.84 -4.97 115.26 116.62 3gdp n ASN 110 Ca 0.00 -1.29 0.06 0.00 -0.53 0.00 0.00 54.58 52.82 3gdp n ASN 110 Cb 0.23 -0.50 0.26 0.00 -2.08 0.00 0.00 39.78 37.68 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 -3.38 2.52 -0.18 -2.53 0.00 -1.26 -4.94 120.51 110.73 3gdp n ALA 111 Ca -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3gdp n ALA 111 Cb 0.30 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.85 1.55 3.70 0.00 0.00 -1.26 -4.58 105.19 105.46 3gdp n GLY 112 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.36 2.70 -0.12 1.61 1.01 -1.26 -0.32 120.40 121.66 3gdp s VAL 113 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.37 3gdp s VAL 113 Cb 0.00 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 3gdp s VAL 113 CO 0.00 0.01 -0.20 -0.47 0.00 0.00 0.00 175.10 174.44 3gdp s TYR 114 N 1.88 2.65 -0.01 5.22 5.04 -0.28 -4.75 117.35 127.09 3gdp s TYR 114 Ca 0.73 -0.98 -0.08 0.00 -2.44 0.00 0.00 57.07 54.31 3gdp s TYR 114 Cb -0.43 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.12 3gdp s TYR 114 CO 0.32 -0.39 0.16 0.00 -1.34 0.00 0.00 175.55 174.30 3gdp s ALA 115 N 0.43 -0.38 0.43 3.97 0.00 -1.26 -3.13 121.76 121.81 3gdp s ALA 115 Ca -0.15 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 3gdp s ALA 115 Cb -0.17 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.90 3gdp s ALA 115 CO 0.06 -0.18 0.82 1.03 0.00 0.00 0.00 175.76 177.49 3gdp s ARG 116 N -1.03 3.82 0.65 0.00 0.52 -0.11 -3.91 118.95 118.88 3gdp s ARG 116 Ca -0.11 0.58 -0.16 0.00 -0.52 0.00 0.00 55.73 55.52 3gdp s ARG 116 Cb -0.06 -2.33 -0.00 0.00 0.52 0.00 0.00 34.95 33.08 3gdp s ARG 116 CO 0.01 -0.09 1.15 0.00 0.02 0.00 0.00 175.30 176.39 3gdp s ALA 117 N -2.43 2.43 -0.16 2.13 0.00 -1.26 -3.29 121.76 119.17 3gdp s ALA 117 Ca 0.53 0.72 -0.36 0.00 0.00 0.00 0.00 51.96 52.85 3gdp s ALA 117 Cb -0.10 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.51 3gdp s ALA 117 CO 0.31 -1.33 1.86 -1.71 0.00 0.00 0.00 175.76 174.90 3gdp n ASN 118 N -2.23 3.10 0.00 0.00 2.85 -0.30 -4.58 115.26 114.10 3gdp n ASN 118 Ca 0.12 0.97 0.02 0.00 -0.11 0.00 0.00 54.58 55.58 3gdp n ASN 118 Cb 0.51 -1.30 0.09 0.00 1.24 0.00 0.00 39.78 40.32 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 5.11 1.47 1.09 -0.44 -2.24 -1.26 -2.06 114.28 115.94 3gdp n THR 119 Ca 0.25 0.37 0.12 0.00 -2.27 0.00 0.00 64.05 62.51 3gdp n THR 119 Cb 0.25 -1.30 0.14 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.42 2.12 -0.01 3.42 7.64 -1.26 -4.36 113.62 119.74 3gdp n SER 120 Ca 0.01 -1.57 0.12 0.00 1.01 0.00 0.00 58.87 58.45 3gdp n SER 120 Cb 0.04 0.23 0.29 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.32 0.00 -0.07 0.44 -6.64 -0.88 -4.23 119.36 108.31 3gdp n ILE 121 Ca 0.12 -0.01 -0.09 0.00 -1.77 0.00 0.00 62.75 61.00 3gdp n ILE 121 Cb 0.48 0.19 0.07 0.00 -1.44 0.00 0.00 39.64 38.94 3gdp n ILE 121 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 3gdp h TYR 122 N 0.07 0.87 -0.57 4.28 -1.99 -1.77 -3.23 116.97 114.63 3gdp h TYR 122 Ca 0.00 -0.23 -0.05 0.00 2.00 0.00 0.00 58.73 60.45 3gdp h TYR 122 Cb 0.50 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.01 3gdp h TYR 122 CO 0.00 0.97 0.16 0.77 -0.00 0.00 0.00 178.16 180.06 3gdp h SER 123 N 0.62 0.81 -0.59 3.88 0.02 -1.87 -3.02 113.55 113.40 3gdp h SER 123 Ca 0.07 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3gdp h SER 123 Cb 0.86 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3gdp h SER 123 CO 0.08 0.77 0.00 0.00 -1.14 0.00 0.00 176.83 176.54 3gdp n ALA 124 N -2.46 2.98 0.16 3.77 0.00 -1.24 -4.48 120.51 119.25 3gdp n ALA 124 Ca 0.04 -1.39 0.04 0.00 0.00 0.00 0.00 53.44 52.14 3gdp n ALA 124 Cb 0.21 -1.02 0.14 0.00 0.00 0.00 0.00 19.45 18.79 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 3.70 0.00 0.00 0.00 4.64 -1.54 -3.47 113.55 116.88 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 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3gdp h SER 125 CO 0.19 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 3gdp n GLY 126 N 0.91 0.79 3.10 -0.77 0.00 -1.26 -4.92 105.19 103.04 3gdp n GLY 126 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.10 1.21 -0.58 1.61 1.01 -1.26 -4.35 120.40 115.93 3gdp s VAL 127 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 3gdp s VAL 127 Cb 0.00 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.43 3gdp s VAL 127 CO 0.00 0.35 0.76 -1.81 0.00 0.00 0.00 175.10 174.40 3gdp s ASP 128 N -0.03 6.20 0.20 3.32 -0.00 -1.26 -4.80 116.67 120.29 3gdp s ASP 128 Ca -0.01 -1.15 -0.28 0.00 -0.00 0.00 0.00 52.55 51.11 3gdp s ASP 128 Cb -0.09 -2.33 -0.08 0.00 -0.00 0.00 0.00 42.92 40.41 3gdp s ASP 128 CO 0.01 -1.14 0.87 0.26 -0.00 0.00 0.00 175.17 175.17 3gdp s TRP 129 N 3.04 3.94 -0.79 4.23 0.52 -1.26 -5.00 118.94 123.62 3gdp s TRP 129 Ca 0.16 1.78 -0.19 0.00 0.02 0.00 0.00 56.10 57.87 3gdp s TRP 129 Cb -0.21 -2.90 0.13 0.00 -1.15 0.00 0.00 33.47 29.34 3gdp s TRP 129 CO 0.09 0.46 0.95 0.34 0.02 0.00 0.00 176.95 178.81 3gdp s ASP 130 N -1.05 6.47 0.51 2.95 -1.08 -1.26 -4.90 116.67 118.30 3gdp s ASP 130 Ca 0.39 -1.81 0.16 0.00 -0.52 0.00 0.00 52.55 50.78 3gdp s ASP 130 Cb -0.24 -2.35 1.24 0.00 -1.46 0.00 0.00 42.92 40.10 3gdp s ASP 130 CO 0.29 -1.08 2.12 0.24 0.52 0.00 0.00 175.17 177.27 3gdp h MET 131 N 8.90 0.00 -0.55 4.34 2.86 -1.99 -0.02 114.93 128.47 3gdp h MET 131 Ca -0.03 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3gdp h MET 131 Cb 1.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3gdp h MET 131 CO 1.07 0.04 -0.04 -0.44 1.06 0.00 0.00 176.91 178.61 3gdp h ASP 132 N 0.00 0.98 -0.46 1.22 3.32 -2.00 -1.90 116.42 117.58 3gdp h ASP 132 Ca -0.00 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 3gdp h ASP 132 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3gdp h ASP 132 CO 0.01 1.07 -0.11 0.25 -1.72 0.00 0.00 179.24 178.73 3gdp h LEU 133 N 0.87 0.90 -0.10 1.55 5.85 -1.70 -1.56 115.31 121.12 3gdp h LEU 133 Ca 0.15 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3gdp h LEU 133 Cb 0.59 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3gdp h LEU 133 CO 0.04 1.05 -0.17 0.58 -0.34 0.00 0.00 178.44 179.59 3gdp h VAL 134 N 0.73 0.55 -0.45 1.05 2.07 -0.82 0.64 116.25 120.02 3gdp h VAL 134 Ca 0.12 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.54 3gdp h VAL 134 Cb 0.66 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3gdp h VAL 134 CO 0.05 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 178.31 3gdp h ASN 135 N -0.23 0.80 -0.86 0.57 2.35 -1.29 -0.71 115.58 116.22 3gdp h ASN 135 Ca 0.09 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3gdp h ASN 135 Cb 0.36 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3gdp h ASN 135 CO -0.24 0.93 0.55 1.56 -1.65 0.00 0.00 177.43 178.59 3gdp h GLN 136 N 0.74 1.14 -0.29 0.81 4.20 -0.84 -1.08 115.11 119.79 3gdp h GLN 136 Ca 0.12 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 3gdp h GLN 136 Cb 0.60 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3gdp h GLN 136 CO 0.04 0.77 -0.29 1.15 -0.67 0.00 0.00 178.83 179.83 3gdp h THR 137 N 1.17 1.30 -0.59 -0.54 2.02 -0.34 -1.40 112.91 114.53 3gdp h THR 137 Ca 0.31 -1.46 0.05 0.00 0.77 0.00 0.00 66.41 66.08 3gdp h THR 137 Cb -0.11 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3gdp h THR 137 CO -0.06 0.47 0.32 1.88 0.37 0.00 0.00 175.52 178.49 3gdp h TYR 138 N 0.44 0.58 -0.74 3.16 0.99 -0.69 -1.43 116.97 119.28 3gdp h TYR 138 Ca 0.04 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3gdp h TYR 138 Cb 0.86 -0.18 -0.04 0.00 1.00 0.00 0.00 36.73 38.38 3gdp h TYR 138 CO 0.07 0.29 0.48 0.93 -0.00 0.00 0.00 178.16 179.93 3gdp h GLU 139 N 0.61 0.99 -0.60 4.88 5.08 -1.03 0.13 114.58 124.63 3gdp h GLU 139 Ca 0.26 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3gdp h GLU 139 Cb 0.14 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3gdp h GLU 139 CO -0.16 0.67 0.35 2.35 -1.00 0.00 0.00 179.01 181.23 3gdp h TRP 140 N 1.01 0.66 -0.02 4.33 7.01 -0.54 0.28 115.95 128.68 3gdp h TRP 140 Ca 0.27 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 3gdp h TRP 140 Cb -0.09 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 26.76 3gdp h TRP 140 CO -0.02 0.35 -0.03 0.28 -2.79 0.00 0.00 178.44 176.24 3gdp h VAL 141 N 0.68 1.40 -0.94 2.65 2.07 -0.85 -3.28 116.25 117.98 3gdp h VAL 141 Ca 0.25 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3gdp h VAL 141 Cb 0.07 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3gdp h VAL 141 CO -0.13 0.33 0.62 -0.33 0.02 0.00 0.00 177.57 178.08 3gdp h GLU 142 N -0.44 1.20 0.00 1.57 5.08 -0.56 -1.01 114.58 120.42 3gdp h GLU 142 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gdp h GLU 142 Cb 0.55 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3gdp h GLU 142 CO 0.01 0.79 0.00 -0.25 -1.00 0.00 0.00 179.01 178.56 3gdp n ASP 143 N -4.41 0.07 -0.09 1.42 8.00 0.07 -1.89 116.55 119.72 3gdp n ASP 143 Ca 0.12 0.52 -0.14 0.00 0.71 0.00 0.00 54.79 56.00 3gdp n ASP 143 Cb 0.05 -0.53 -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 -1.58 1.02 -1.24 -3.53 -1.04 -0.48 -4.12 114.28 103.31 3gdp n THR 144 Ca 0.03 -0.36 0.01 0.00 -2.04 0.00 0.00 64.05 61.69 3gdp n THR 144 Cb 0.14 -1.25 0.02 0.00 -1.82 0.00 0.00 70.33 67.42 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 -3.19 0.35 -5.03 12.58 -5.35 -0.62 -4.88 119.36 113.23 3gdp n ILE 145 Ca -0.33 -0.39 -0.32 0.00 -0.27 0.00 0.00 62.75 61.44 3gdp n ILE 145 Cb 0.82 0.61 -0.15 0.00 -1.74 0.00 0.00 39.64 39.18 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 -0.46 2.60 0.08 7.28 1.01 -0.99 -4.29 120.40 125.63 3gdp s VAL 146 Ca 0.04 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3gdp s VAL 146 Cb 0.03 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3gdp s VAL 146 CO 0.00 0.56 -0.17 -0.31 0.00 0.00 0.00 175.10 175.19 3gdp s TYR 147 N -0.17 1.44 -0.24 5.22 1.51 0.27 -0.21 117.35 125.17 3gdp s TYR 147 Ca -0.02 -0.44 -0.28 0.00 -1.01 0.00 0.00 57.07 55.32 3gdp s TYR 147 Cb -0.14 -0.80 0.01 0.00 -0.11 0.00 0.00 41.96 40.92 3gdp s TYR 147 CO 0.04 0.11 1.01 0.21 -1.11 0.00 0.00 175.55 175.80 3gdp s LYS 148 N -1.77 4.23 0.80 -0.62 2.20 -1.26 -1.73 119.74 121.59 3gdp s LYS 148 Ca 0.01 1.26 -0.10 0.00 -0.36 0.00 0.00 55.97 56.78 3gdp s LYS 148 Cb -0.10 -3.65 0.08 0.00 -1.51 0.00 0.00 37.83 32.65 3gdp s LYS 148 CO 0.03 -0.64 1.10 -1.25 -0.36 0.00 0.00 175.35 174.24 3gdp s PRO 149 N 3.18 1.99 0.69 4.03 0.04 -1.26 -4.83 135.00 138.83 3gdp s PRO 149 Ca 0.43 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 3gdp s PRO 149 Cb -0.15 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.54 3gdp s PRO 149 CO 0.07 -1.85 1.07 -0.80 0.04 0.00 0.00 177.00 175.53 3gdp s ASN 150 N -3.25 5.27 0.33 6.66 0.02 -1.26 -4.99 114.94 117.71 3gdp s ASN 150 Ca 0.62 1.74 -0.27 0.00 -1.02 0.00 0.00 52.86 53.93 3gdp s ASN 150 Cb -0.18 -2.51 -0.09 0.00 0.02 0.00 0.00 41.25 38.48 3gdp s ASN 150 CO 0.56 -1.52 1.06 -0.94 0.02 0.00 0.00 177.10 176.28 3gdp s SER 151 N -3.38 7.09 -0.05 -1.22 1.04 -1.26 -5.03 113.70 110.89 3gdp s SER 151 Ca 0.61 2.13 0.01 0.00 0.48 0.00 0.00 55.95 59.18 3gdp s SER 151 Cb -0.16 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.38 3gdp s SER 151 CO 0.50 -0.26 -0.05 -1.10 0.98 0.00 0.00 173.24 173.31 3gdp s GLN 152 N -1.89 0.86 0.15 4.02 -0.21 -1.26 -5.07 119.66 116.27 3gdp s GLN 152 Ca 0.50 -0.11 -0.25 0.00 0.02 0.00 0.00 55.36 55.51 3gdp s GLN 152 Cb -0.27 -0.86 0.02 0.00 1.00 0.00 0.00 33.01 32.90 3gdp s GLN 152 CO 0.34 -0.08 1.59 1.03 -2.12 0.00 0.00 175.29 176.05 3gdp h SER 153 N 7.18 -1.23 -0.64 5.90 0.87 -1.96 -0.15 113.55 123.52 3gdp h SER 153 Ca -0.37 0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 3gdp h SER 153 Cb 1.15 0.55 -0.03 0.00 -0.44 0.00 0.00 62.40 63.63 3gdp h SER 153 CO 0.47 -0.36 0.30 -0.25 -0.53 0.00 0.00 176.83 176.46 3gdp h TRP 154 N -0.32 0.96 -0.43 2.24 2.91 -1.96 -0.07 115.95 119.27 3gdp h TRP 154 Ca 0.14 -0.05 -0.08 0.00 1.13 0.00 0.00 58.89 60.04 3gdp h TRP 154 Cb 0.57 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 3gdp h TRP 154 CO -0.55 0.72 -0.06 1.96 -1.03 0.00 0.00 178.44 179.47 3gdp h GLN 155 N 0.95 0.73 -0.47 2.65 1.08 -1.76 -0.66 115.11 117.63 3gdp h GLN 155 Ca 0.23 -0.22 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 3gdp h GLN 155 Cb 0.13 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3gdp h GLN 155 CO -0.03 0.79 -0.10 0.77 -0.95 0.00 0.00 178.83 179.31 3gdp h SER 156 N 0.68 0.83 -0.55 1.46 0.02 -0.21 0.38 113.55 116.17 3gdp h SER 156 Ca 0.12 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3gdp h SER 156 Cb 0.51 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3gdp h SER 156 CO 0.03 0.95 0.20 0.58 -1.14 0.00 0.00 176.83 177.46 3gdp h VAL 157 N 0.76 1.23 -0.78 2.27 2.07 -0.60 -1.44 116.25 119.76 3gdp h VAL 157 Ca 0.13 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3gdp h VAL 157 Cb 0.60 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3gdp h VAL 157 CO 0.04 0.27 0.38 0.74 0.02 0.00 0.00 177.57 179.02 3gdp h THR 158 N 0.75 1.24 -0.73 2.57 2.02 -0.69 -1.38 112.91 116.69 3gdp h THR 158 Ca 0.18 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3gdp h THR 158 Cb 0.23 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3gdp h THR 158 CO -0.01 0.29 0.45 0.50 0.37 0.00 0.00 175.52 177.11 3gdp h LYS 159 N 1.09 0.99 -0.53 6.66 3.64 -0.48 -0.28 116.57 127.66 3gdp h LYS 159 Ca 0.27 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3gdp h LYS 159 Cb 0.11 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3gdp h LYS 159 CO -0.03 0.69 0.06 1.79 -2.27 0.00 0.00 179.45 179.69 3gdp h THR 160 N 1.00 1.24 -0.23 1.00 1.35 -0.78 -1.69 112.91 114.79 3gdp h THR 160 Ca 0.26 -0.94 -0.02 0.00 -0.55 0.00 0.00 66.41 65.16 3gdp h THR 160 Cb -0.04 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 3gdp h THR 160 CO -0.05 0.34 0.07 0.00 -0.25 0.00 0.00 175.52 175.63 3gdp h ALA 161 N 1.26 0.31 -0.42 6.62 0.00 -0.56 -0.31 119.26 126.17 3gdp h ALA 161 Ca 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gdp h ALA 161 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gdp h ALA 161 CO 0.01 -0.06 0.26 0.74 0.00 0.00 0.00 179.25 180.21 3gdp h PHE 162 N 0.20 0.50 -0.31 0.00 0.05 -0.88 0.01 116.94 116.52 3gdp h PHE 162 Ca 0.07 0.01 -0.09 0.00 3.82 0.00 0.00 57.97 61.79 3gdp h PHE 162 Cb 0.25 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 3gdp h PHE 162 CO 0.01 0.30 -0.19 -0.07 -0.18 0.00 0.00 178.31 178.18 3gdp h LEU 163 N 0.53 0.56 -0.91 1.54 3.38 -1.20 -1.55 115.31 117.67 3gdp h LEU 163 Ca 0.16 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3gdp h LEU 163 Cb -0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3gdp h LEU 163 CO -0.05 0.76 -0.38 -0.08 0.09 0.00 0.00 178.44 178.77 3gdp h GLU 164 N 0.50 0.31 -0.66 1.13 4.81 -0.67 -2.92 114.58 117.09 3gdp h GLU 164 Ca 0.08 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3gdp h GLU 164 Cb 0.62 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3gdp h GLU 164 CO 0.04 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 178.98 3gdp n ALA 165 N -2.48 2.79 -1.08 2.92 0.00 -0.04 -4.91 120.51 117.71 3gdp n ALA 165 Ca -0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 3gdp n ALA 165 Cb 0.47 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 0.42 0.60 3.52 0.00 0.00 -1.10 -4.95 105.19 103.68 3gdp n GLY 166 Ca 0.09 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.03 4.42 0.28 1.61 1.01 -0.63 -4.94 120.40 120.11 3gdp s VAL 167 Ca 0.00 -1.71 0.10 0.00 0.00 0.00 0.00 61.98 60.36 3gdp s VAL 167 Cb 0.00 -5.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.33 3gdp s VAL 167 CO 0.00 -1.80 -0.03 -1.00 0.00 0.00 0.00 175.10 172.27 3gdp s HIS 168 N 3.46 2.62 0.19 5.22 3.76 -1.26 -2.90 115.29 126.38 3gdp s HIS 168 Ca 0.45 -0.26 -0.02 0.00 -0.15 0.00 0.00 55.06 55.08 3gdp s HIS 168 Cb -0.01 -1.19 0.04 0.00 1.11 0.00 0.00 32.58 32.53 3gdp s HIS 168 CO -0.02 0.62 0.25 -0.35 -0.85 0.00 0.00 174.74 174.39 3gdp n PRO 169 N -0.86 0.01 -3.61 8.40 -0.04 -1.26 -3.58 135.00 134.06 3gdp n PRO 169 Ca -0.06 -0.49 -0.36 0.00 -0.04 0.00 0.00 63.50 62.55 3gdp n PRO 169 Cb 0.59 -0.23 -0.07 0.00 -0.04 0.00 0.00 33.50 33.75 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 -1.96 6.44 0.00 3.54 2.47 -1.26 -0.75 114.94 123.41 3gdp s ASN 170 Ca 0.15 0.51 0.14 0.00 0.42 0.00 0.00 52.86 54.08 3gdp s ASN 170 Cb -0.01 -2.16 0.23 0.00 -1.45 0.00 0.00 41.25 37.86 3gdp s ASN 170 CO 0.10 0.18 1.10 1.41 -3.72 0.00 0.00 177.10 176.18 3gdp n HIS 171 N 3.15 0.24 -2.21 0.43 8.25 0.31 -4.95 115.22 120.44 3gdp n HIS 171 Ca -0.14 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3gdp n HIS 171 Cb 0.52 -0.01 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 0.81 3.00 3.64 -1.41 0.00 -1.26 -4.28 105.19 105.70 3gdp n GLY 172 Ca 0.11 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 3.31 -0.20 1.61 5.36 -1.26 -1.10 117.98 125.70 3gdp s PHE 173 Ca 0.00 0.46 -0.24 0.00 -0.96 0.00 0.00 56.93 56.19 3gdp s PHE 173 Cb 0.00 -2.50 0.06 0.00 -0.34 0.00 0.00 43.02 40.24 3gdp s PHE 173 CO 0.00 -0.09 0.64 0.45 -1.46 0.00 0.00 175.22 174.76 3gdp s SER 174 N 1.31 -0.65 0.15 6.13 0.15 -0.43 -4.95 113.70 115.40 3gdp s SER 174 Ca 0.15 1.15 0.24 0.00 0.70 0.00 0.00 55.95 58.19 3gdp s SER 174 Cb -0.15 1.14 0.40 0.00 -1.71 0.00 0.00 66.02 65.70 3gdp s SER 174 CO 0.08 -0.31 1.38 -0.07 1.20 0.00 0.00 173.24 175.53 3gdp h LEU 175 N 4.65 0.00 -9.64 3.45 3.38 -1.91 -3.36 115.31 111.88 3gdp h LEU 175 Ca -0.28 -0.17 -0.51 0.00 0.09 0.00 0.00 57.88 57.01 3gdp h LEU 175 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3gdp h LEU 175 CO 0.16 0.08 0.40 -1.81 0.09 0.00 0.00 178.44 177.37 3gdp s ASP 176 N -4.38 7.44 -0.69 -0.43 1.01 -1.26 -0.94 116.67 117.42 3gdp s ASP 176 Ca 0.07 1.94 -0.27 0.00 0.71 0.00 0.00 52.55 55.00 3gdp s ASP 176 Cb 0.13 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.47 3gdp s ASP 176 CO 0.70 -0.08 1.53 -2.28 0.21 0.00 0.00 175.17 175.26 3gdp s HIS 177 N -0.37 2.02 0.04 4.23 5.65 -1.21 -4.91 115.29 120.74 3gdp s HIS 177 Ca 0.46 0.30 0.02 0.00 0.25 0.00 0.00 55.06 56.09 3gdp s HIS 177 Cb -0.26 -4.40 -0.02 0.00 -1.18 0.00 0.00 32.58 26.71 3gdp s HIS 177 CO 0.32 -2.17 -0.07 -1.21 -0.65 0.00 0.00 174.74 170.96 3gdp s GLU 178 N 6.29 0.50 0.26 2.88 2.02 -1.26 -4.57 118.70 124.82 3gdp s GLU 178 Ca 0.49 -0.74 -0.31 0.00 0.02 0.00 0.00 54.97 54.42 3gdp s GLU 178 Cb -0.10 -0.24 -0.12 0.00 0.10 0.00 0.00 34.13 33.77 3gdp s GLU 178 CO 0.17 0.04 1.57 -1.91 0.02 0.00 0.00 175.26 175.14 3gdp n GLU 179 N 1.47 2.50 0.00 1.61 2.13 -1.26 -4.62 120.64 122.46 3gdp n GLU 179 Ca -0.23 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3gdp n GLU 179 Cb 0.55 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.61 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 2.53 0.42 3.65 8.31 0.00 0.65 -4.03 105.19 116.73 3gdp n GLY 180 Ca 0.11 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.54 4.06 0.20 2.61 2.01 0.07 -0.39 115.64 123.67 3gdp s THR 181 Ca 0.00 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.27 3gdp s THR 181 Cb 0.00 -2.75 0.05 0.00 0.01 0.00 0.00 72.50 69.81 3gdp s THR 181 CO 0.00 0.48 0.75 0.00 -0.69 0.00 0.00 174.62 175.17 3gdp s ARG 182 N -1.22 1.47 -0.22 4.92 1.70 -0.79 -0.53 118.95 124.28 3gdp s ARG 182 Ca 0.16 -0.75 -0.07 0.00 -0.47 0.00 0.00 55.73 54.61 3gdp s ARG 182 Cb -0.11 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 3gdp s ARG 182 CO 0.06 -0.67 0.04 0.42 -1.08 0.00 0.00 175.30 174.08 3gdp s ILE 183 N -3.69 4.29 0.55 4.99 1.01 -0.26 -0.94 121.20 127.16 3gdp s ILE 183 Ca 0.08 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.61 3gdp s ILE 183 Cb -0.04 -2.97 0.06 0.00 0.01 0.00 0.00 42.46 39.53 3gdp s ILE 183 CO 0.00 0.39 0.52 1.07 0.00 0.00 0.00 174.94 176.93 3gdp n THR 184 N 4.39 0.00 -1.91 2.92 5.66 0.38 -1.31 114.28 124.40 3gdp n THR 184 Ca -0.17 -2.05 -0.29 0.00 -3.05 0.00 0.00 64.05 58.49 3gdp n THR 184 Cb 0.52 -0.19 0.09 0.00 -1.55 0.00 0.00 70.33 69.20 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 -4.30 1.60 0.02 1.09 0.00 -1.19 -4.57 107.32 99.97 3gdp s GLY 185 Ca 0.40 -0.66 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 3gdp s GLY 185 CO 0.25 -0.17 0.06 -0.45 0.00 0.00 0.00 173.10 172.78 3gdp s SER 186 N -4.57 0.18 0.00 1.64 0.15 -0.70 -1.13 113.70 109.26 3gdp s SER 186 Ca 0.62 -0.46 0.22 0.00 0.70 0.00 0.00 55.95 57.03 3gdp s SER 186 Cb -0.11 0.18 0.81 0.00 -1.71 0.00 0.00 66.02 65.19 3gdp s SER 186 CO 0.49 -0.40 1.59 0.35 1.20 0.00 0.00 173.24 176.46 3gdp n THR 187 N 1.20 0.17 -3.67 6.45 -2.24 0.56 -0.57 114.28 116.18 3gdp n THR 187 Ca -0.21 -0.33 -0.36 0.00 -2.27 0.00 0.00 64.05 60.88 3gdp n THR 187 Cb 0.57 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.83 3.44 0.83 4.78 2.99 -1.26 -0.60 117.98 126.33 3gdp s PHE 188 Ca 0.33 0.43 -0.10 0.00 0.00 0.00 0.00 56.93 57.60 3gdp s PHE 188 Cb 0.18 -2.21 0.18 0.00 0.00 0.00 0.00 43.02 41.18 3gdp s PHE 188 CO 0.28 0.30 1.12 -0.40 -0.00 0.00 0.00 175.22 176.52 3gdp n ASP 189 N 3.43 0.47 0.00 1.36 5.68 0.01 -4.68 116.55 122.83 3gdp n ASP 189 Ca -0.15 -1.64 0.05 0.00 -0.50 0.00 0.00 54.79 52.55 3gdp n ASP 189 Cb 0.52 -0.82 0.25 0.00 -1.14 0.00 0.00 41.12 39.92 3gdp n ASP 189 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3gdp n ASN 190 N -3.50 0.00 -0.59 -1.12 3.02 -1.26 -1.07 115.26 110.74 3gdp n ASN 190 Ca 0.15 0.17 0.07 0.00 -0.03 0.00 0.00 54.58 54.94 3gdp n ASN 190 Cb 0.54 -0.30 0.07 0.00 -0.61 0.00 0.00 39.78 39.48 3gdp n ASN 190 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3gdp n LYS 191 N -1.30 1.14 -0.39 3.52 5.02 -1.26 -4.94 118.16 119.95 3gdp n LYS 191 Ca 0.05 -1.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.91 3gdp n LYS 191 Cb 0.08 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.79 0.70 3.72 0.72 0.00 -0.23 -4.98 105.19 105.91 3gdp n GLY 192 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.72 3.74 0.08 2.61 2.01 -1.26 -0.68 115.64 119.42 3gdp s THR 193 Ca 0.00 1.32 -0.26 0.00 0.31 0.00 0.00 61.69 63.06 3gdp s THR 193 Cb 0.00 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 3gdp s THR 193 CO 0.00 0.14 0.80 -0.60 -0.69 0.00 0.00 174.62 174.27 3gdp s ARG 194 N 0.63 4.55 0.07 4.92 3.52 -0.26 -0.81 118.95 131.57 3gdp s ARG 194 Ca 0.58 1.15 0.09 0.00 -0.13 0.00 0.00 55.73 57.42 3gdp s ARG 194 Cb -0.32 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 3gdp s ARG 194 CO 0.32 0.32 -0.24 -1.01 -0.81 0.00 0.00 175.30 173.88 3gdp s HIS 195 N -0.25 2.38 0.14 5.12 3.76 0.24 -4.73 115.29 121.94 3gdp s HIS 195 Ca 0.40 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.92 3gdp s HIS 195 Cb -0.21 -1.37 0.01 0.00 1.11 0.00 0.00 32.58 32.11 3gdp s HIS 195 CO 0.25 0.22 0.21 0.00 -0.85 0.00 0.00 174.74 174.56 3gdp n ALA 196 N 1.47 -0.24 0.06 -1.40 0.00 -1.26 -4.71 120.51 114.43 3gdp n ALA 196 Ca -0.17 -0.59 0.14 0.00 0.00 0.00 0.00 53.44 52.83 3gdp n ALA 196 Cb 0.52 0.47 0.63 0.00 0.00 0.00 0.00 19.45 21.07 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 1.73 2.23 -0.28 0.00 0.00 -1.85 -1.63 119.26 119.46 3gdp h ALA 197 Ca -0.11 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3gdp h ALA 197 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gdp h ALA 197 CO 0.14 -0.33 0.19 0.38 0.00 0.00 0.00 179.25 179.63 3gdp h ASP 198 N 0.10 0.26 0.95 0.00 2.03 -1.85 -0.50 116.42 117.42 3gdp h ASP 198 Ca 0.18 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 3gdp h ASP 198 Cb 0.59 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 3gdp h ASP 198 CO -0.02 0.18 0.00 -0.33 -1.03 0.00 0.00 179.24 178.05 3gdp h GLU 199 N 0.31 0.00 0.00 4.15 5.08 -1.56 -1.98 114.58 120.57 3gdp h GLU 199 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3gdp h GLU 199 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3gdp h GLU 199 CO -0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.27 3gdp n LEU 200 N -3.09 0.60 0.24 1.33 4.77 -0.19 -1.74 117.00 118.92 3gdp n LEU 200 Ca 0.00 0.64 0.10 0.00 -0.03 0.00 0.00 56.01 56.73 3gdp n LEU 200 Cb 0.29 -0.56 0.60 0.00 -2.33 0.00 0.00 43.42 41.42 3gdp n LEU 200 CO 0.27 -0.51 0.89 -0.07 -1.33 0.00 0.00 177.39 176.64 3gdp h LEU 201 N 0.00 0.00 -0.92 2.23 3.38 -1.45 -1.86 115.31 116.68 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 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3gdp h LEU 201 CO 0.00 0.19 0.00 0.78 0.09 0.00 0.00 178.44 179.50 3gdp h ASN 202 N 0.00 0.00 0.89 -0.43 2.35 -1.52 -1.93 115.58 114.94 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 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3gdp h ASN 202 CO 0.02 0.00 -0.25 0.29 -1.65 0.00 0.00 177.43 175.84 3gdp n LYS 203 N -2.35 0.08 -1.84 0.81 4.76 -0.70 -4.87 118.16 114.04 3gdp n LYS 203 Ca 0.01 0.04 -0.24 0.00 -2.87 0.00 0.00 58.31 55.26 3gdp n LYS 203 Cb 0.21 -1.57 0.16 0.00 -1.84 0.00 0.00 35.03 31.98 3gdp n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gdp n GLY 204 N 1.45 -0.86 3.59 0.72 0.00 -0.73 -4.88 105.19 104.48 3gdp n GLY 204 Ca 0.06 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 3gdp n GLY 204 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gdp s ASN 205 N -5.04 6.40 0.10 1.61 3.84 -1.26 -4.94 114.94 115.65 3gdp s ASN 205 Ca 0.63 0.26 0.10 0.00 0.21 0.00 0.00 52.86 54.06 3gdp s ASN 205 Cb -0.02 -2.29 0.48 0.00 -0.55 0.00 0.00 41.25 38.86 3gdp s ASN 205 CO 0.44 -0.43 1.30 -1.54 -2.79 0.00 0.00 177.10 174.08 3gdp n SER 206 N 5.74 0.20 -0.11 -4.21 3.41 -1.26 -1.18 113.62 116.21 3gdp n SER 206 Ca -0.03 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 3gdp n SER 206 Cb 0.49 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.76 1.21 -0.00 4.04 4.05 -1.26 -4.43 115.26 117.11 3gdp n ASN 207 Ca 0.00 -1.11 0.02 0.00 0.45 0.00 0.00 54.58 53.95 3gdp n ASN 207 Cb 0.05 0.88 -0.03 0.00 1.23 0.00 0.00 39.78 41.91 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 -1.16 3.11 -4.67 1.20 3.02 -0.52 -5.02 115.26 111.23 3gdp n ASN 208 Ca 0.05 -0.14 -0.35 0.00 -0.03 0.00 0.00 54.58 54.11 3gdp n ASN 208 Cb 0.35 1.16 -0.09 0.00 -0.61 0.00 0.00 39.78 40.59 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 -3.06 3.85 -0.04 3.41 2.96 -0.32 -1.06 118.68 124.42 3gdp s LEU 209 Ca -0.01 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 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 0.18 0.23 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.19 3gdp s ARG 210 N 0.06 1.35 -0.12 1.98 0.52 -0.53 -4.84 118.95 117.37 3gdp s ARG 210 Ca 0.06 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 3gdp s ARG 210 Cb -0.12 -1.19 -0.00 0.00 0.52 0.00 0.00 34.95 34.16 3gdp s ARG 210 CO 0.01 0.12 -0.20 0.08 0.02 0.00 0.00 175.30 175.33 3gdp s VAL 211 N 0.29 2.41 -0.16 3.52 1.01 -0.39 -1.16 120.40 125.92 3gdp s VAL 211 Ca -0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3gdp s VAL 211 Cb -0.11 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3gdp s VAL 211 CO 0.02 0.54 -0.09 -0.83 0.00 0.00 0.00 175.10 174.73 3gdp s GLY 212 N 0.46 1.58 0.32 4.51 0.00 0.13 0.18 107.32 114.50 3gdp s GLY 212 Ca -0.14 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 43.69 3gdp s GLY 212 CO 0.06 0.03 0.22 -1.34 0.00 0.00 0.00 173.10 172.07 3gdp s VAL 213 N 0.73 3.58 -1.53 1.40 -7.23 0.11 -0.38 120.40 117.07 3gdp s VAL 213 Ca -0.04 -1.49 -0.05 0.00 -1.81 0.00 0.00 61.98 58.59 3gdp s VAL 213 Cb -0.15 -3.16 0.01 0.00 0.56 0.00 0.00 36.38 33.64 3gdp s VAL 213 CO 0.02 -0.22 0.67 1.41 -0.31 0.00 0.00 175.10 176.66 3gdp n HIS 214 N -1.26 -2.06 -3.93 2.82 8.25 -0.19 -1.09 115.22 117.76 3gdp n HIS 214 Ca -0.03 0.58 -0.34 0.00 -0.26 0.00 0.00 57.72 57.66 3gdp n HIS 214 Cb 0.60 -4.49 -0.14 0.00 1.12 0.00 0.00 29.99 27.08 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 -3.19 2.83 -0.51 -1.41 0.00 0.05 -4.07 121.76 115.46 3gdp s ALA 215 Ca 0.34 -1.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.14 3gdp s ALA 215 Cb -0.15 -1.94 0.05 0.00 0.00 0.00 0.00 23.12 21.08 3gdp s ALA 215 CO 0.42 -1.38 0.67 0.45 0.00 0.00 0.00 175.76 175.92 3gdp s SER 216 N 1.27 6.25 -0.23 0.00 0.15 -0.74 -2.19 113.70 118.21 3gdp s SER 216 Ca -0.02 -0.78 -0.29 0.00 0.70 0.00 0.00 55.95 55.56 3gdp s SER 216 Cb -0.20 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 3gdp s SER 216 CO -0.03 -0.93 1.14 -0.69 1.20 0.00 0.00 173.24 173.93 3gdp s VAL 217 N 2.83 4.48 -0.09 4.45 1.01 -1.26 -0.86 120.40 130.95 3gdp s VAL 217 Ca 0.18 1.76 0.17 0.00 0.00 0.00 0.00 61.98 64.09 3gdp s VAL 217 Cb -0.18 -4.22 -0.26 0.00 0.00 0.00 0.00 36.38 31.73 3gdp s VAL 217 CO 0.14 -0.25 0.25 -0.62 0.00 0.00 0.00 175.10 174.62 3gdp n GLU 218 N 6.60 0.84 -3.60 2.72 1.02 0.03 -4.95 120.64 123.30 3gdp n GLU 218 Ca 0.13 -0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 3gdp n GLU 218 Cb 0.46 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.89 -0.10 3.49 2.20 -1.20 -4.75 119.74 117.37 3gdp s LYS 219 Ca -0.08 0.68 -0.14 0.00 -0.36 0.00 0.00 55.97 56.07 3gdp s LYS 219 Cb 0.09 0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 36.79 3gdp s LYS 219 CO 0.75 -0.18 0.35 0.42 -0.36 0.00 0.00 175.35 176.33 3gdp s ILE 220 N -0.23 5.22 -0.06 5.43 1.01 -1.26 -0.92 121.20 130.39 3gdp s ILE 220 Ca -0.04 0.68 -0.13 0.00 0.00 0.00 0.00 60.65 61.16 3gdp s ILE 220 Cb -0.03 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3gdp s ILE 220 CO 0.04 0.45 0.33 -0.63 0.00 0.00 0.00 174.94 175.13 3gdp s ILE 221 N -0.04 5.18 0.23 2.92 1.01 0.41 -4.89 121.20 126.02 3gdp s ILE 221 Ca 0.20 0.66 0.09 0.00 0.00 0.00 0.00 60.65 61.60 3gdp s ILE 221 Cb -0.14 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 3gdp s ILE 221 CO 0.08 0.55 -0.15 -0.36 0.00 0.00 0.00 174.94 175.05 3gdp s PHE 222 N -0.74 1.86 0.77 3.97 0.40 -1.26 -0.63 117.98 122.35 3gdp s PHE 222 Ca 0.21 -0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 3gdp s PHE 222 Cb -0.15 -0.85 0.08 0.00 0.51 0.00 0.00 43.02 42.60 3gdp s PHE 222 CO 0.10 0.44 1.10 -1.54 0.70 0.00 0.00 175.22 176.03 3gdp s SER 223 N -3.37 4.57 0.65 1.36 1.04 -0.44 -4.88 113.70 112.64 3gdp s SER 223 Ca 0.25 0.57 -0.15 0.00 0.48 0.00 0.00 55.95 57.09 3gdp s SER 223 Cb -0.02 -1.11 -0.00 0.00 0.10 0.00 0.00 66.02 64.99 3gdp s SER 223 CO 0.09 -1.80 1.12 0.20 0.98 0.00 0.00 173.24 173.83 3gdp s ASN 224 N -4.57 5.09 0.52 7.02 0.02 -1.26 -4.58 114.94 117.17 3gdp s ASN 224 Ca 0.62 2.05 -0.14 0.00 -1.02 0.00 0.00 52.86 54.37 3gdp s ASN 224 Cb -0.10 -2.56 -0.07 0.00 0.02 0.00 0.00 41.25 38.54 3gdp s ASN 224 CO 0.47 -1.65 0.95 0.00 0.02 0.00 0.00 177.10 176.89 3gdp s ALA 225 N -2.25 3.14 0.83 0.60 0.00 -1.26 -4.43 121.76 118.39 3gdp s ALA 225 Ca 0.68 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 3gdp s ALA 225 Cb -0.22 -3.02 0.11 0.00 0.00 0.00 0.00 23.12 20.00 3gdp s ALA 225 CO 0.40 -0.29 0.69 -0.35 0.00 0.00 0.00 175.76 176.22 3gdp n PRO 226 N -1.79 -0.37 -3.15 0.00 -0.04 -1.26 -5.01 135.00 123.38 3gdp n PRO 226 Ca 0.05 -1.35 -0.14 0.00 -0.04 0.00 0.00 63.50 62.03 3gdp n PRO 226 Cb 0.54 -0.63 0.07 0.00 -0.04 0.00 0.00 33.50 33.44 3gdp n PRO 226 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gdp n GLY 227 N 0.21 -0.18 3.64 0.55 0.00 -1.26 -4.91 105.19 103.24 3gdp n GLY 227 Ca 0.10 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 3gdp n GLY 227 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdp n LEU 228 N -3.53 2.62 -3.78 0.99 4.77 -1.26 -4.87 117.00 111.94 3gdp n LEU 228 Ca -0.18 1.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 3gdp n LEU 228 Cb 0.62 -1.37 -0.13 0.00 -2.33 0.00 0.00 43.42 40.20 3gdp n LEU 228 CO 0.48 -0.81 -0.19 -0.89 -1.33 0.00 0.00 177.39 174.64 3gdp s THR 229 N -0.41 -0.02 0.03 -5.08 2.01 -1.26 -0.75 115.64 110.15 3gdp s THR 229 Ca 0.66 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 3gdp s THR 229 Cb -0.69 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 3gdp s THR 229 CO 0.54 0.03 1.19 0.00 -0.69 0.00 0.00 174.62 175.69 3gdp s ALA 230 N 0.63 3.41 -0.45 7.40 0.00 -0.48 -1.33 121.76 130.93 3gdp s ALA 230 Ca -0.05 0.77 0.13 0.00 0.00 0.00 0.00 51.96 52.81 3gdp s ALA 230 Cb -0.06 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 3gdp s ALA 230 CO -0.03 -0.52 0.47 0.25 0.00 0.00 0.00 175.76 175.93 3gdp n THR 231 N 4.12 0.00 -3.91 0.00 -2.24 0.20 -4.79 114.28 107.66 3gdp n THR 231 Ca 0.09 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3gdp n THR 231 Cb 0.47 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.41 -0.90 3.17 3.38 0.00 -1.23 -1.60 105.19 109.42 3gdp n GLY 232 Ca 0.01 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 0.14 -0.15 1.61 -7.23 -0.48 -0.44 120.40 110.85 3gdp s VAL 233 Ca 0.00 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 3gdp s VAL 233 Cb 0.00 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 3gdp s VAL 233 CO 0.00 -0.64 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.41 3gdp s ILE 234 N -3.97 3.14 0.09 -0.62 1.01 -0.10 -2.09 121.20 118.66 3gdp s ILE 234 Ca 0.15 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3gdp s ILE 234 Cb 0.07 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 3gdp s ILE 234 CO -0.04 0.51 -0.12 -0.72 0.00 0.00 0.00 174.94 174.56 3gdp s TYR 235 N 0.54 1.18 -0.01 3.97 -0.85 -0.60 -0.79 117.35 120.78 3gdp s TYR 235 Ca -0.07 -0.56 0.07 0.00 -0.52 0.00 0.00 57.07 55.99 3gdp s TYR 235 Cb -0.15 -0.64 -0.02 0.00 0.38 0.00 0.00 41.96 41.52 3gdp s TYR 235 CO 0.04 0.05 -0.24 0.50 -1.52 0.00 0.00 175.55 174.38 3gdp s ARG 236 N -2.36 2.12 0.66 -3.49 3.52 -0.04 0.47 118.95 119.83 3gdp s ARG 236 Ca 0.03 -0.92 0.03 0.00 -0.13 0.00 0.00 55.73 54.74 3gdp s ARG 236 Cb -0.06 -2.09 0.13 0.00 -1.56 0.00 0.00 34.95 31.36 3gdp s ARG 236 CO 0.02 0.56 0.91 -0.40 -0.81 0.00 0.00 175.30 175.57 3gdp n ASP 237 N 2.27 1.54 0.24 -2.12 5.68 -0.68 -1.79 116.55 121.69 3gdp n ASP 237 Ca -0.16 -2.22 0.17 0.00 -0.50 0.00 0.00 54.79 52.07 3gdp n ASP 237 Cb 0.51 -0.56 0.85 0.00 -1.14 0.00 0.00 41.12 40.79 3gdp n ASP 237 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3gdp h SER 238 N -0.37 0.00 0.31 -1.12 4.64 -1.91 -0.80 113.55 114.31 3gdp h SER 238 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3gdp h SER 238 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gdp h SER 238 CO 0.35 0.00 -0.31 0.59 -0.87 0.00 0.00 176.83 176.59 3gdp n ASN 239 N -2.67 0.88 0.00 4.97 3.02 -1.26 -4.92 115.26 115.28 3gdp n ASN 239 Ca -0.02 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 3gdp n ASN 239 Cb 0.09 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 1.38 0.75 3.71 7.41 0.00 -0.30 -5.05 105.19 113.08 3gdp n GLY 240 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.38 5.01 0.22 2.61 2.01 -1.26 -4.82 115.64 117.03 3gdp s THR 241 Ca 0.00 1.50 -0.22 0.00 0.31 0.00 0.00 61.69 63.28 3gdp s THR 241 Cb 0.00 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 3gdp s THR 241 CO 0.00 0.20 0.76 -2.16 -0.69 0.00 0.00 174.62 172.74 3gdp s PRO 242 N 1.08 4.38 0.29 4.92 0.04 -1.26 -1.68 135.00 142.76 3gdp s PRO 242 Ca 0.38 1.00 0.07 0.00 0.04 0.00 0.00 61.00 62.49 3gdp s PRO 242 Cb -0.18 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.32 3gdp s PRO 242 CO 0.17 0.44 -0.07 -1.01 0.04 0.00 0.00 177.00 176.57 3gdp s HIS 243 N -1.42 2.01 -0.02 0.56 3.76 0.18 -4.95 115.29 115.41 3gdp s HIS 243 Ca 0.41 -0.67 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 3gdp s HIS 243 Cb -0.19 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.37 3gdp s HIS 243 CO 0.23 0.33 -0.06 -0.65 -0.85 0.00 0.00 174.74 173.73 3gdp s GLN 244 N -3.71 0.67 -0.14 1.40 -0.21 0.36 -1.55 119.66 116.49 3gdp s GLN 244 Ca 0.30 -0.21 0.00 0.00 0.02 0.00 0.00 55.36 55.47 3gdp s GLN 244 Cb 0.03 -0.66 0.02 0.00 1.00 0.00 0.00 33.01 33.40 3gdp s GLN 244 CO 0.12 0.08 -0.12 0.00 -2.12 0.00 0.00 175.29 173.25 3gdp s ALA 245 N 0.20 1.70 0.21 6.09 0.00 -0.89 -0.91 121.76 128.16 3gdp s ALA 245 Ca -0.02 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.21 3gdp s ALA 245 Cb -0.07 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 3gdp s ALA 245 CO -0.00 -0.38 0.10 -0.06 0.00 0.00 0.00 175.76 175.41 3gdp s PHE 246 N 1.53 2.99 -0.01 0.00 0.40 0.56 -1.39 117.98 122.07 3gdp s PHE 246 Ca 0.05 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 3gdp s PHE 246 Cb -0.13 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 3gdp s PHE 246 CO -0.10 0.53 0.03 0.14 0.70 0.00 0.00 175.22 176.52 3gdp s VAL 247 N -1.93 4.35 0.78 -0.44 -7.23 -0.63 -0.63 120.40 114.67 3gdp s VAL 247 Ca 0.31 -0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 59.91 3gdp s VAL 247 Cb -0.09 -2.96 0.15 0.00 0.56 0.00 0.00 36.38 34.05 3gdp s VAL 247 CO 0.22 0.38 1.08 -0.13 -0.31 0.00 0.00 175.10 176.33 3gdp s ARG 248 N -1.59 1.40 0.13 4.82 0.52 0.28 -4.89 118.95 119.62 3gdp s ARG 248 Ca 0.20 -0.98 -0.34 0.00 -0.52 0.00 0.00 55.73 54.09 3gdp s ARG 248 Cb -0.12 -2.22 -0.17 0.00 0.52 0.00 0.00 34.95 32.96 3gdp s ARG 248 CO 0.11 -1.70 1.04 0.45 0.02 0.00 0.00 175.30 175.22 3gdp n SER 249 N -3.06 0.54 0.00 0.23 2.88 -1.26 -0.02 113.62 112.93 3gdp n SER 249 Ca 0.15 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 3gdp n SER 249 Cb 0.60 -1.09 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 1.60 0.00 -1.85 -1.46 5.02 -1.26 -4.98 118.16 115.23 3gdp n LYS 250 Ca 0.17 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.17 3gdp n LYS 250 Cb 0.20 -3.13 0.12 0.00 -0.02 0.00 0.00 35.03 32.19 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 1.62 0.08 0.72 0.00 0.97 -5.06 107.32 103.64 3gdp s GLY 251 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 44.72 43.88 3gdp s GLY 251 CO 0.00 -0.19 0.20 -0.54 0.00 0.00 0.00 173.10 172.58 3gdp s GLU 252 N -5.60 0.81 -0.18 2.90 2.02 -0.91 -4.71 118.70 113.03 3gdp s GLU 252 Ca 0.65 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 54.71 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 0.50 -0.26 0.07 0.08 0.02 0.00 0.00 175.26 175.68 3gdp s VAL 253 N -3.49 4.85 -0.11 2.63 1.01 -0.09 -2.29 120.40 122.92 3gdp s VAL 253 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3gdp s VAL 253 Cb 0.03 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.23 3gdp s VAL 253 CO -0.09 0.46 -0.18 -0.63 0.00 0.00 0.00 175.10 174.66 3gdp s ILE 254 N 0.38 1.67 -0.25 2.22 1.01 -0.28 -1.81 121.20 124.14 3gdp s ILE 254 Ca 0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 3gdp s ILE 254 Cb -0.12 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3gdp s ILE 254 CO -0.00 0.47 0.34 -0.69 0.00 0.00 0.00 174.94 175.06 3gdp s VAL 255 N 0.87 5.21 -0.26 2.92 1.01 -0.04 -0.96 120.40 129.16 3gdp s VAL 255 Ca -0.08 0.53 0.18 0.00 0.00 0.00 0.00 61.98 62.60 3gdp s VAL 255 Cb -0.15 -3.67 0.49 0.00 0.00 0.00 0.00 36.38 33.05 3gdp s VAL 255 CO -0.01 0.21 1.14 -1.20 0.00 0.00 0.00 175.10 175.24 3gdp n SER 256 N 5.00 2.67 -0.07 3.32 7.64 0.42 -1.31 113.62 131.30 3gdp n SER 256 Ca -0.10 -2.62 0.07 0.00 1.01 0.00 0.00 58.87 57.23 3gdp n SER 256 Cb 0.51 -0.43 0.38 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.61 2.57 0.00 -0.43 0.00 -0.97 -4.51 120.51 116.56 3gdp n ALA 257 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3gdp n ALA 257 Cb 0.86 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.75 -0.38 0.37 0.00 0.00 -1.26 -2.79 105.19 101.88 3gdp n GLY 258 Ca 0.11 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.53 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 0.73 0.05 2.61 2.02 -1.85 0.65 112.91 117.12 3gdp h THR 259 Ca 0.00 -0.23 -0.26 0.00 0.77 0.00 0.00 66.41 66.68 3gdp h THR 259 Cb 0.00 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 3gdp h THR 259 CO 0.00 0.12 -1.43 0.40 0.37 0.00 0.00 175.52 174.98 3gdp h ILE 260 N 0.67 0.89 -0.34 3.11 1.08 -1.88 -3.39 117.51 117.64 3gdp h ILE 260 Ca 0.53 -2.26 -0.13 0.00 -0.39 0.00 0.00 64.86 62.61 3gdp h ILE 260 Cb 0.93 2.40 -0.01 0.00 -3.07 0.00 0.00 36.82 37.08 3gdp h ILE 260 CO -0.29 0.53 -0.32 1.23 -0.69 0.00 0.00 178.15 178.61 3gdp h GLY 261 N -0.31 0.82 0.75 5.37 0.00 -1.33 -3.15 103.07 105.23 3gdp h GLY 261 Ca -0.35 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.20 3gdp h GLY 261 CO -0.09 0.70 -0.12 -0.84 0.00 0.00 0.00 176.54 176.19 3gdp h THR 262 N 0.64 0.80 -0.75 4.70 2.02 -0.95 -1.60 112.91 117.76 3gdp h THR 262 Ca 0.07 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3gdp h THR 262 Cb 0.85 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 3gdp h THR 262 CO 0.07 0.10 0.47 -0.65 0.37 0.00 0.00 175.52 175.89 3gdp h PRO 263 N -0.59 1.00 -0.08 6.66 0.11 -1.76 -1.53 132.00 135.81 3gdp h PRO 263 Ca -0.03 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.01 3gdp h PRO 263 Cb 0.43 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3gdp h PRO 263 CO 0.06 0.69 -0.00 0.37 -0.21 0.00 0.00 178.00 178.90 3gdp h GLN 264 N 1.03 0.03 -0.68 1.05 4.15 -1.49 -1.23 115.11 117.96 3gdp h GLN 264 Ca 0.27 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 3gdp h GLN 264 Cb -0.08 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 3gdp h GLN 264 CO -0.05 0.02 0.23 1.25 -1.93 0.00 0.00 178.83 178.34 3gdp h LEU 265 N 0.03 0.97 -0.34 -2.39 5.85 -0.85 -1.40 115.31 117.18 3gdp h LEU 265 Ca 0.04 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3gdp h LEU 265 Cb 0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3gdp h LEU 265 CO -0.06 0.89 0.13 -0.07 -0.34 0.00 0.00 178.44 178.99 3gdp h LEU 266 N 1.01 0.47 -0.13 2.25 3.38 -1.05 -1.44 115.31 119.79 3gdp h LEU 266 Ca 0.22 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gdp h LEU 266 Cb 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3gdp h LEU 266 CO -0.01 0.51 0.08 -0.07 0.09 0.00 0.00 178.44 179.04 3gdp h LEU 267 N 0.40 0.16 -2.71 1.67 3.38 -1.02 -0.12 115.31 117.06 3gdp h LEU 267 Ca 0.11 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gdp h LEU 267 Cb 0.19 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gdp h LEU 267 CO -0.01 0.15 -0.01 -0.07 0.09 0.00 0.00 178.44 178.60 3gdp h LEU 268 N 0.15 0.00 -1.81 1.67 3.38 -1.11 -1.36 115.31 116.22 3gdp h LEU 268 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gdp h LEU 268 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3gdp h LEU 268 CO -0.01 0.01 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 3gdp n SER 269 N -3.27 2.71 0.00 -0.43 7.64 -0.56 -4.94 113.62 114.78 3gdp n SER 269 Ca -0.03 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 57.96 3gdp n SER 269 Cb 0.10 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.35 0.72 3.15 0.23 0.00 -0.51 -4.67 105.19 105.46 3gdp n GLY 270 Ca 0.18 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 3.46 -1.63 1.61 1.01 -0.14 -0.13 120.40 122.58 3gdp s VAL 271 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.10 3gdp s VAL 271 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3gdp s VAL 271 CO 0.00 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.10 3gdp n GLY 272 N 4.67 -1.36 3.67 4.51 0.00 -1.18 -3.37 105.19 112.14 3gdp n GLY 272 Ca -0.05 -0.97 -0.48 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.05 2.02 -0.05 1.61 -0.02 -0.89 -0.99 135.00 136.63 3gdp n PRO 273 Ca 0.00 0.74 -0.08 0.00 -2.02 0.00 0.00 63.50 62.14 3gdp n PRO 273 Cb 0.00 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 30.94 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 7.42 -0.20 -0.07 -0.52 4.22 -1.90 -0.86 114.58 122.67 3gdp h GLU 274 Ca -0.47 0.01 -0.08 0.00 0.08 0.00 0.00 59.36 58.91 3gdp h GLU 274 Cb 1.27 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3gdp h GLU 274 CO 0.91 -0.13 -0.31 0.66 -2.18 0.00 0.00 179.01 177.97 3gdp h SER 275 N -0.20 0.13 0.14 1.04 4.64 -1.99 -1.26 113.55 116.04 3gdp h SER 275 Ca 0.14 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3gdp h SER 275 Cb 0.41 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3gdp h SER 275 CO -0.36 0.43 -0.07 0.22 -0.87 0.00 0.00 176.83 176.18 3gdp h TYR 276 N 0.11 -0.17 -0.38 4.77 3.20 -1.80 -2.11 116.97 120.61 3gdp h TYR 276 Ca 0.02 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3gdp h TYR 276 Cb 0.60 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3gdp h TYR 276 CO 0.01 0.23 0.22 -0.07 -1.64 0.00 0.00 178.16 176.90 3gdp h LEU 277 N -0.62 0.36 -1.55 2.82 3.38 -1.08 -2.34 115.31 116.28 3gdp h LEU 277 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3gdp h LEU 277 Cb 0.47 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3gdp h LEU 277 CO 0.03 0.26 -0.23 0.28 0.09 0.00 0.00 178.44 178.87 3gdp h SER 278 N 0.45 0.00 0.29 -0.43 0.02 -1.29 -0.69 113.55 111.91 3gdp h SER 278 Ca 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3gdp h SER 278 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3gdp h SER 278 CO -0.07 0.23 -0.10 0.77 -1.14 0.00 0.00 176.83 176.53 3gdp h SER 279 N 0.00 0.00 -0.26 3.07 4.64 -0.81 -1.40 113.55 118.79 3gdp h SER 279 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gdp h SER 279 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3gdp h SER 279 CO 0.03 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.27 3gdp n LEU 280 N -3.69 3.02 -1.29 5.97 4.77 -0.65 -4.96 117.00 120.17 3gdp n LEU 280 Ca -0.02 -1.40 -0.13 0.00 -0.03 0.00 0.00 56.01 54.42 3gdp n LEU 280 Cb 0.21 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3gdp n LEU 280 CO 0.30 0.63 -0.15 0.59 -1.33 0.00 0.00 177.39 177.43 3gdp n ASN 281 N 1.16 -4.31 -4.63 -1.43 5.03 -0.53 -4.99 115.26 105.56 3gdp n ASN 281 Ca 0.15 0.13 -0.40 0.00 0.87 0.00 0.00 54.58 55.33 3gdp n ASN 281 Cb 0.51 -3.27 -0.06 0.00 -1.02 0.00 0.00 39.78 35.94 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 -2.58 5.00 0.23 2.41 1.01 -0.36 -4.99 121.20 121.92 3gdp s ILE 282 Ca 0.00 1.12 -0.32 0.00 0.00 0.00 0.00 60.65 61.45 3gdp s ILE 282 Cb 0.00 -3.93 -0.13 0.00 0.01 0.00 0.00 42.46 38.41 3gdp s ILE 282 CO 0.00 0.06 1.46 -2.65 0.00 0.00 0.00 174.94 173.81 3gdp n PRO 283 N 5.52 2.11 -3.01 2.79 -0.02 -1.26 -4.10 135.00 137.02 3gdp n PRO 283 Ca -0.01 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 3gdp n PRO 283 Cb 0.49 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.17 4.88 -0.13 -1.45 1.01 -1.26 -4.07 120.40 119.53 3gdp s VAL 284 Ca 0.70 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.66 3gdp s VAL 284 Cb -0.65 -4.06 -0.25 0.00 0.00 0.00 0.00 36.38 31.43 3gdp s VAL 284 CO 0.47 -0.13 0.53 0.58 0.00 0.00 0.00 175.10 176.55 3gdp h VAL 285 N 5.51 1.17 -2.28 2.92 2.07 -0.80 -3.47 116.25 121.36 3gdp h VAL 285 Ca -0.25 -2.34 -0.03 0.00 0.82 0.00 0.00 66.70 64.90 3gdp h VAL 285 Cb 1.11 2.74 -0.24 0.00 -1.52 0.00 0.00 31.29 33.38 3gdp h VAL 285 CO 0.84 0.59 -0.17 -0.22 0.02 0.00 0.00 177.57 178.62 3gdp s LEU 286 N -7.77 -0.67 -0.15 2.57 2.96 -1.11 -5.04 118.68 109.47 3gdp s LEU 286 Ca -0.22 1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 54.65 3gdp s LEU 286 Cb 0.03 1.88 -0.04 0.00 0.50 0.00 0.00 46.19 48.56 3gdp s LEU 286 CO 0.71 -0.22 1.65 -0.55 -1.32 0.00 0.00 176.35 176.62 3gdp s SER 287 N 1.96 6.46 -0.42 3.68 0.15 -1.26 -3.08 113.70 121.20 3gdp s SER 287 Ca -0.08 1.89 0.02 0.00 0.70 0.00 0.00 55.95 58.48 3gdp s SER 287 Cb -0.08 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 61.82 3gdp s SER 287 CO -0.16 -1.15 0.21 -1.00 1.20 0.00 0.00 173.24 172.34 3gdp s HIS 288 N 4.84 2.03 0.42 3.44 3.76 -0.16 -4.89 115.29 124.73 3gdp s HIS 288 Ca 0.73 -2.35 0.21 0.00 -0.15 0.00 0.00 55.06 53.51 3gdp s HIS 288 Cb -0.29 -1.92 1.18 0.00 1.11 0.00 0.00 32.58 32.66 3gdp s HIS 288 CO 0.29 -0.80 1.76 -1.35 -0.85 0.00 0.00 174.74 173.79 3gdp h PRO 289 N 6.98 0.31 -0.53 8.40 0.11 -1.91 -2.33 132.00 143.03 3gdp h PRO 289 Ca -0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3gdp h PRO 289 Cb 0.94 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3gdp h PRO 289 CO 0.49 0.21 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 3gdp n TYR 290 N -4.60 0.70 -2.13 0.65 4.02 -1.26 -4.59 117.16 109.95 3gdp n TYR 290 Ca 0.27 -0.35 -0.42 0.00 -0.01 0.00 0.00 57.90 57.38 3gdp n TYR 290 Cb 0.97 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.27 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 -1.30 3.62 0.00 -0.72 1.01 -1.15 -1.62 120.40 120.24 3gdp s VAL 291 Ca 0.42 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.31 3gdp s VAL 291 Cb 0.23 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3gdp s VAL 291 CO 0.31 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3gdp n GLY 292 N 3.86 0.77 3.91 4.51 0.00 0.47 -4.77 105.19 113.95 3gdp n GLY 292 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.36 3.28 -0.86 1.61 -1.52 -0.64 -0.13 119.66 121.04 3gdp s GLN 293 Ca 0.00 -0.78 -0.03 0.00 -1.95 0.00 0.00 55.36 52.61 3gdp s GLN 293 Cb 0.00 -2.83 -0.03 0.00 -0.22 0.00 0.00 33.01 29.93 3gdp s GLN 293 CO 0.00 0.46 0.74 1.19 -0.25 0.00 0.00 175.29 177.43 3gdp n PHE 294 N -0.97 -1.83 -3.22 0.91 3.01 -1.04 -2.94 117.46 111.37 3gdp n PHE 294 Ca -0.08 0.69 -0.40 0.00 1.01 0.00 0.00 57.45 58.67 3gdp n PHE 294 Cb 0.56 -4.02 -0.07 0.00 -0.01 0.00 0.00 39.48 35.93 3gdp n PHE 294 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3gdp s LEU 295 N -5.07 4.08 -0.05 4.37 2.01 -0.34 -2.13 118.68 121.54 3gdp s LEU 295 Ca 0.21 0.59 0.05 0.00 0.01 0.00 0.00 54.13 54.99 3gdp s LEU 295 Cb -0.03 -2.70 -0.02 0.00 0.01 0.00 0.00 46.19 43.45 3gdp s LEU 295 CO 0.57 -0.27 -0.19 -1.00 1.01 0.00 0.00 176.35 176.47 3gdp s HIS 296 N 2.16 2.58 -0.18 0.29 3.76 0.05 -0.44 115.29 123.49 3gdp s HIS 296 Ca 0.23 -0.40 -0.03 0.00 -0.15 0.00 0.00 55.06 54.70 3gdp s HIS 296 Cb -0.16 -1.62 0.06 0.00 1.11 0.00 0.00 32.58 31.97 3gdp s HIS 296 CO 0.09 0.00 0.05 0.34 -0.85 0.00 0.00 174.74 174.37 3gdp s ASP 297 N -0.45 2.72 0.15 1.40 2.15 -1.26 -0.73 116.67 120.65 3gdp s ASP 297 Ca 0.05 -0.75 -0.31 0.00 0.43 0.00 0.00 52.55 51.97 3gdp s ASP 297 Cb -0.12 -0.49 -0.11 0.00 -0.30 0.00 0.00 42.92 41.90 3gdp s ASP 297 CO 0.01 -0.32 1.77 0.20 -0.17 0.00 0.00 175.17 176.66 3gdp s ASN 298 N 1.94 6.43 0.40 -0.34 -0.87 -1.26 -4.84 114.94 116.40 3gdp s ASN 298 Ca -0.00 2.77 -0.24 0.00 -1.57 0.00 0.00 52.86 53.82 3gdp s ASN 298 Cb -0.17 -2.58 -0.09 0.00 -0.02 0.00 0.00 41.25 38.40 3gdp s ASN 298 CO -0.08 -0.98 1.07 -2.16 -2.57 0.00 0.00 177.10 172.39 3gdp s PRO 299 N 2.12 4.12 -0.14 -0.60 0.04 -1.26 -2.85 135.00 136.42 3gdp s PRO 299 Ca 0.78 1.57 -0.00 0.00 0.04 0.00 0.00 61.00 63.39 3gdp s PRO 299 Cb -0.47 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 3gdp s PRO 299 CO 0.34 -0.20 -0.14 0.50 0.04 0.00 0.00 177.00 177.55 3gdp s ARG 300 N -2.49 3.33 0.11 4.56 3.52 0.37 -2.76 118.95 125.59 3gdp s ARG 300 Ca 0.58 -0.71 0.08 0.00 -0.13 0.00 0.00 55.73 55.55 3gdp s ARG 300 Cb -0.24 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 3gdp s ARG 300 CO 0.29 0.15 -0.20 -0.80 -0.81 0.00 0.00 175.30 173.93 3gdp s ASN 301 N 0.51 2.51 0.31 -2.12 -0.87 -0.73 -0.97 114.94 113.59 3gdp s ASN 301 Ca -0.09 -0.70 -0.15 0.00 -1.57 0.00 0.00 52.86 50.35 3gdp s ASN 301 Cb -0.16 -0.14 0.02 0.00 -0.02 0.00 0.00 41.25 40.96 3gdp s ASN 301 CO 0.04 0.04 0.66 0.72 -2.57 0.00 0.00 177.10 175.99 3gdp s PHE 302 N -1.26 0.20 -0.03 2.20 -0.12 -1.26 -0.62 117.98 117.09 3gdp s PHE 302 Ca 0.07 -0.67 -0.00 0.00 -0.05 0.00 0.00 56.93 56.27 3gdp s PHE 302 Cb -0.10 0.53 0.03 0.00 -0.63 0.00 0.00 43.02 42.85 3gdp s PHE 302 CO 0.04 -1.28 0.03 0.42 -0.05 0.00 0.00 175.22 174.39 3gdp s ILE 303 N -3.32 0.00 -0.21 -4.49 -1.09 -0.44 -4.97 121.20 106.68 3gdp s ILE 303 Ca 0.18 0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.75 3gdp s ILE 303 Cb -0.04 -0.16 -0.04 0.00 -1.58 0.00 0.00 42.46 40.64 3gdp s ILE 303 CO 0.11 0.13 0.07 0.20 -1.23 0.00 0.00 174.94 174.22 3gdp s ASN 304 N 1.36 5.50 0.01 3.58 0.01 -1.26 -0.96 114.94 123.18 3gdp s ASN 304 Ca -0.05 -0.01 0.07 0.00 -0.71 0.00 0.00 52.86 52.16 3gdp s ASN 304 Cb -0.13 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 3gdp s ASN 304 CO -0.03 0.10 -0.22 0.27 -1.51 0.00 0.00 177.10 175.71 3gdp s ILE 305 N 0.81 2.44 -0.47 0.60 -4.36 -0.38 -1.93 121.20 117.91 3gdp s ILE 305 Ca 0.04 -1.15 -0.03 0.00 -0.26 0.00 0.00 60.65 59.25 3gdp s ILE 305 Cb -0.13 -1.95 0.13 0.00 1.25 0.00 0.00 42.46 41.75 3gdp s ILE 305 CO 0.02 0.45 0.28 -0.76 0.24 0.00 0.00 174.94 175.17 3gdp s LEU 306 N -1.04 5.26 0.65 0.37 1.43 0.22 -1.40 118.68 124.17 3gdp s LEU 306 Ca 0.12 -2.27 -0.18 0.00 -1.03 0.00 0.00 54.13 50.78 3gdp s LEU 306 Cb -0.10 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3gdp s LEU 306 CO 0.02 -0.50 1.27 -2.84 0.23 0.00 0.00 176.35 174.53 3gdp s PRO 307 N 0.80 2.53 0.44 1.29 0.02 -1.26 -4.30 135.00 134.52 3gdp s PRO 307 Ca 0.11 1.99 0.23 0.00 0.02 0.00 0.00 61.00 63.35 3gdp s PRO 307 Cb -0.22 -1.85 1.00 0.00 0.02 0.00 0.00 34.50 33.44 3gdp s PRO 307 CO -0.04 -1.59 1.87 -1.00 -0.33 0.00 0.00 177.00 175.91 3gdp h PRO 308 N 0.45 0.00 -6.68 5.54 0.13 -1.82 -3.43 132.00 126.20 3gdp h PRO 308 Ca -0.50 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.94 3gdp h PRO 308 Cb 1.33 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.22 3gdp h PRO 308 CO 0.53 0.24 -0.84 -0.80 -0.23 0.00 0.00 178.00 176.89 3gdp s ASN 309 N -6.27 3.51 0.39 1.44 0.01 -1.26 -5.11 114.94 107.67 3gdp s ASN 309 Ca -0.01 -0.53 -0.26 0.00 -0.71 0.00 0.00 52.86 51.36 3gdp s ASN 309 Cb 0.11 -0.45 -0.11 0.00 0.41 0.00 0.00 41.25 41.22 3gdp s ASN 309 CO 0.64 0.25 1.29 -2.65 -1.51 0.00 0.00 177.10 175.12 3gdp n PRO 310 N 1.55 2.04 -4.39 -0.60 -0.02 -1.26 -5.03 135.00 127.29 3gdp n PRO 310 Ca -0.17 0.72 -0.28 0.00 -2.02 0.00 0.00 63.50 61.76 3gdp n PRO 310 Cb 0.52 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.16 2.22 0.26 4.25 -4.36 -1.26 -5.12 121.20 116.03 3gdp s ILE 311 Ca 0.59 -1.80 -0.17 0.00 -0.26 0.00 0.00 60.65 59.00 3gdp s ILE 311 Cb -0.52 -1.99 -0.08 0.00 1.25 0.00 0.00 42.46 41.12 3gdp s ILE 311 CO 0.60 0.02 0.71 -1.83 0.24 0.00 0.00 174.94 174.68 3gdp s GLU 312 N -2.19 4.12 0.50 0.37 1.03 -1.26 -4.85 118.70 116.42 3gdp s GLU 312 Ca 0.15 0.75 -0.22 0.00 0.03 0.00 0.00 54.97 55.67 3gdp s GLU 312 Cb -0.09 -2.70 -0.06 0.00 -0.80 0.00 0.00 34.13 30.48 3gdp s GLU 312 CO 0.07 0.30 1.25 -2.14 -1.33 0.00 0.00 175.26 173.41 3gdp s PRO 313 N -2.40 3.47 0.12 -4.83 0.02 -1.26 -4.67 135.00 125.45 3gdp s PRO 313 Ca 0.47 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 63.42 3gdp s PRO 313 Cb -0.14 -2.33 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 3gdp s PRO 313 CO 0.19 -0.84 0.13 0.95 -0.33 0.00 0.00 177.00 177.10 3gdp s THR 314 N -1.45 0.12 -0.01 0.99 -4.23 -0.91 -4.97 115.64 105.18 3gdp s THR 314 Ca 0.67 -1.64 -0.07 0.00 -1.18 0.00 0.00 61.69 59.47 3gdp s THR 314 Cb -0.34 -1.80 -0.05 0.00 1.34 0.00 0.00 72.50 71.66 3gdp s THR 314 CO 0.40 -0.53 0.26 0.27 -0.54 0.00 0.00 174.62 174.48 3gdp s ILE 315 N -3.98 5.30 0.07 2.99 -4.36 -1.26 -4.39 121.20 115.58 3gdp s ILE 315 Ca 0.17 0.22 -0.31 0.00 -0.26 0.00 0.00 60.65 60.47 3gdp s ILE 315 Cb 0.06 -3.56 -0.08 0.00 1.25 0.00 0.00 42.46 40.14 3gdp s ILE 315 CO -0.02 0.41 1.50 -0.69 0.24 0.00 0.00 174.94 176.37 3gdp s VAL 316 N -1.25 3.25 0.00 8.37 1.01 -1.26 -4.82 120.40 125.70 3gdp s VAL 316 Ca 0.26 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3gdp s VAL 316 Cb -0.13 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3gdp s VAL 316 CO 0.14 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.62 3gdp n THR 317 N 4.39 0.00 -3.25 3.92 -2.24 -1.26 -4.62 114.28 111.22 3gdp n THR 317 Ca 0.14 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.52 3gdp n THR 317 Cb 0.42 -0.07 -0.07 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 -0.88 5.09 -0.06 2.28 1.01 -1.26 -0.47 120.40 126.11 3gdp s VAL 318 Ca 0.00 0.90 0.05 0.00 0.00 0.00 0.00 61.98 62.93 3gdp s VAL 318 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3gdp s VAL 318 CO 0.00 0.14 -0.20 -0.76 0.00 0.00 0.00 175.10 174.28 3gdp s LEU 319 N 1.95 2.37 -0.40 3.92 1.43 -0.11 -4.44 118.68 123.40 3gdp s LEU 319 Ca 0.22 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3gdp s LEU 319 Cb -0.15 -1.46 0.11 0.00 0.03 0.00 0.00 46.19 44.71 3gdp s LEU 319 CO 0.09 0.28 0.19 -0.83 0.23 0.00 0.00 176.35 176.31 3gdp s GLY 320 N -0.34 1.97 -0.24 -3.19 0.00 -0.06 -1.88 107.32 103.58 3gdp s GLY 320 Ca 0.02 -2.48 -0.10 0.00 0.00 0.00 0.00 44.72 42.16 3gdp s GLY 320 CO 0.02 1.00 0.16 -0.42 0.00 0.00 0.00 173.10 173.87 3gdp s ILE 321 N 1.15 5.32 0.38 0.90 -1.09 0.48 -0.94 121.20 127.40 3gdp s ILE 321 Ca 0.07 0.17 0.08 0.00 -2.23 0.00 0.00 60.65 58.74 3gdp s ILE 321 Cb -0.23 -3.49 -0.06 0.00 -1.58 0.00 0.00 42.46 37.11 3gdp s ILE 321 CO -0.04 0.33 0.06 -0.44 -1.23 0.00 0.00 174.94 173.62 3gdp s SER 322 N 1.16 4.16 0.27 3.58 0.01 -0.46 -0.25 113.70 122.16 3gdp s SER 322 Ca 0.07 -1.11 -0.00 0.00 1.31 0.00 0.00 55.95 56.22 3gdp s SER 322 Cb -0.14 -0.48 0.38 0.00 0.21 0.00 0.00 66.02 65.99 3gdp s SER 322 CO 0.05 -0.37 1.76 0.78 0.41 0.00 0.00 173.24 175.87 3gdp h ASN 323 N 1.70 0.67 -0.01 2.44 -0.26 -1.99 -3.27 115.58 114.87 3gdp h ASN 323 Ca -0.43 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.14 3gdp h ASN 323 Cb 1.25 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 3gdp h ASN 323 CO 0.71 0.78 -0.63 0.47 -1.06 0.00 0.00 177.43 177.70 3gdp n ASP 324 N -4.20 1.44 -3.54 5.81 8.00 -1.26 -4.84 116.55 117.95 3gdp n ASP 324 Ca 0.02 -1.22 -0.17 0.00 0.71 0.00 0.00 54.79 54.13 3gdp n ASP 324 Cb 0.32 0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 42.07 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 -0.59 -0.04 1.24 -0.12 -1.23 -1.45 117.98 113.29 3gdp s PHE 325 Ca 0.12 0.97 0.07 0.00 -0.05 0.00 0.00 56.93 58.04 3gdp s PHE 325 Cb 0.15 0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3gdp s PHE 325 CO 0.62 -0.60 -0.25 0.71 -0.05 0.00 0.00 175.22 175.66 3gdp s TYR 326 N -1.39 2.32 0.14 3.49 4.12 0.61 -1.36 117.35 125.28 3gdp s TYR 326 Ca -0.10 -0.61 0.04 0.00 0.02 0.00 0.00 57.07 56.42 3gdp s TYR 326 Cb -0.01 -1.52 -0.04 0.00 -1.52 0.00 0.00 41.96 38.87 3gdp s TYR 326 CO 0.08 -0.15 -0.09 -0.65 0.02 0.00 0.00 175.55 174.76 3gdp s GLN 327 N -0.30 1.03 0.24 -0.62 -0.21 -0.11 0.05 119.66 119.74 3gdp s GLN 327 Ca 0.01 -1.44 -0.21 0.00 0.02 0.00 0.00 55.36 53.74 3gdp s GLN 327 Cb -0.12 -0.54 0.07 0.00 1.00 0.00 0.00 33.01 33.42 3gdp s GLN 327 CO 0.02 0.05 0.97 0.00 -2.12 0.00 0.00 175.29 174.20 3gdp s SER 329 N -3.29 0.11 -0.17 0.00 0.15 -1.26 -1.53 113.70 107.71 3gdp s SER 329 Ca 0.20 0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.88 3gdp s SER 329 Cb -0.03 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.20 3gdp s SER 329 CO 0.07 -0.14 -0.08 0.12 1.20 0.00 0.00 173.24 174.41 3gdp s PHE 330 N 1.14 2.91 -0.09 3.44 5.36 -0.55 -4.73 117.98 125.46 3gdp s PHE 330 Ca -0.08 -0.69 -0.02 0.00 -0.96 0.00 0.00 56.93 55.18 3gdp s PHE 330 Cb -0.13 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.55 3gdp s PHE 330 CO -0.03 -0.31 -0.01 -1.54 -1.46 0.00 0.00 175.22 171.88 3gdp s SER 331 N 0.78 5.17 0.18 6.13 1.04 -1.26 0.05 113.70 125.78 3gdp s SER 331 Ca -0.03 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 3gdp s SER 331 Cb -0.15 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.52 3gdp s SER 331 CO 0.01 0.37 0.35 -0.55 0.98 0.00 0.00 173.24 174.41 3gdp s SER 332 N -0.84 -0.04 0.71 7.02 0.15 -0.53 -2.14 113.70 118.03 3gdp s SER 332 Ca 0.13 -0.78 -0.11 0.00 0.70 0.00 0.00 55.95 55.89 3gdp s SER 332 Cb -0.11 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 3gdp s SER 332 CO 0.02 -0.94 1.07 -0.76 1.20 0.00 0.00 173.24 173.82 3gdp s LEU 333 N -2.95 3.02 0.86 3.45 1.43 -1.26 -1.94 118.68 121.30 3gdp s LEU 333 Ca 0.16 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 3gdp s LEU 333 Cb 0.02 -4.36 0.11 0.00 0.03 0.00 0.00 46.19 42.00 3gdp s LEU 333 CO -0.00 -1.50 1.18 -0.81 0.23 0.00 0.00 176.35 175.45 3gdp n PRO 334 N -3.16 -0.11 -3.43 1.29 -0.04 -1.24 -4.79 135.00 123.52 3gdp n PRO 334 Ca 0.07 0.04 -0.38 0.00 -0.04 0.00 0.00 63.50 63.19 3gdp n PRO 334 Cb 0.54 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 31.50 3gdp n PRO 334 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gdp s PHE 335 N -2.36 3.29 0.03 0.54 2.99 -0.82 -4.96 117.98 116.69 3gdp s PHE 335 Ca 0.71 0.43 -0.12 0.00 0.00 0.00 0.00 56.93 57.94 3gdp s PHE 335 Cb -0.26 -2.51 -0.33 0.00 0.00 0.00 0.00 43.02 39.91 3gdp s PHE 335 CO 0.54 -0.13 0.97 1.79 -0.00 0.00 0.00 175.22 178.39 3gdp h THR 336 N 5.24 1.26 -3.38 0.64 1.35 -1.94 -3.41 112.91 112.68 3gdp h THR 336 Ca -0.34 -2.75 -0.33 0.00 -0.55 0.00 0.00 66.41 62.44 3gdp h THR 336 Cb 1.16 2.97 -0.15 0.00 -1.73 0.00 0.00 68.15 70.41 3gdp h THR 336 CO 0.66 0.83 -0.72 0.42 -0.25 0.00 0.00 175.52 176.47 3gdp s THR 337 N -2.61 1.19 0.08 6.82 -4.23 -1.26 -5.12 115.64 110.52 3gdp s THR 337 Ca -0.09 -2.05 -0.31 0.00 -1.18 0.00 0.00 61.69 58.06 3gdp s THR 337 Cb 0.05 -1.84 -0.07 0.00 1.34 0.00 0.00 72.50 71.98 3gdp s THR 337 CO 0.92 -0.73 1.33 -2.84 -0.54 0.00 0.00 174.62 172.76 3gdp s PRO 338 N -3.69 4.35 -0.49 3.99 0.02 -1.26 -4.95 135.00 132.97 3gdp s PRO 338 Ca 0.16 1.97 -0.26 0.00 0.02 0.00 0.00 61.00 62.89 3gdp s PRO 338 Cb 0.02 -3.32 0.03 0.00 0.02 0.00 0.00 34.50 31.25 3gdp s PRO 338 CO 0.01 -0.40 1.00 -2.14 -0.33 0.00 0.00 177.00 175.14 3gdp s PRO 339 N 1.25 3.55 0.12 5.54 0.02 -1.26 -4.32 135.00 139.89 3gdp s PRO 339 Ca 0.63 0.20 -0.35 0.00 0.02 0.00 0.00 61.00 61.50 3gdp s PRO 339 Cb -0.34 -3.95 -0.14 0.00 0.02 0.00 0.00 34.50 30.09 3gdp s PRO 339 CO 0.29 -1.34 1.55 0.34 -0.33 0.00 0.00 177.00 177.52 3gdp n PHE 340 N 7.48 2.12 0.00 6.54 7.35 -0.54 -1.60 117.46 138.81 3gdp n PHE 340 Ca 0.07 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 3gdp n PHE 340 Cb 0.49 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.81 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 3.31 3.27 0.11 7.13 0.00 -1.26 -4.82 105.19 112.92 3gdp n GLY 341 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.16 -3.08 1.61 3.57 -1.64 -3.42 116.94 113.82 3gdp h PHE 342 Ca 0.00 -0.00 -0.63 0.00 3.53 0.00 0.00 57.97 60.86 3gdp h PHE 342 Cb 0.00 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 3gdp h PHE 342 CO 0.00 0.07 -0.56 -0.06 -2.23 0.00 0.00 178.31 175.53 3gdp s PHE 343 N -5.33 3.31 0.56 0.41 2.99 -1.26 -4.93 117.98 113.73 3gdp s PHE 343 Ca -0.14 0.15 0.36 0.00 0.00 0.00 0.00 56.93 57.29 3gdp s PHE 343 Cb 0.04 -1.68 1.98 0.00 0.00 0.00 0.00 43.02 43.36 3gdp s PHE 343 CO 0.64 0.55 2.25 -1.00 -0.00 0.00 0.00 175.22 177.66 3gdp h PRO 344 N 3.30 0.00 -4.61 0.24 0.13 -1.83 -3.45 132.00 125.78 3gdp h PRO 344 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 3gdp h PRO 344 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 3gdp h PRO 344 CO 0.69 0.02 -0.70 -1.12 -0.23 0.00 0.00 178.00 176.66 3gdp s SER 345 N -5.72 1.04 0.07 1.44 0.01 -1.26 -1.83 113.70 107.46 3gdp s SER 345 Ca -0.04 -0.93 0.25 0.00 1.31 0.00 0.00 55.95 56.54 3gdp s SER 345 Cb 0.13 0.09 0.98 0.00 0.21 0.00 0.00 66.02 67.44 3gdp s SER 345 CO 0.50 -0.43 1.77 -1.54 0.41 0.00 0.00 173.24 173.95 3gdp n SER 346 N 0.22 0.25 -0.93 2.44 3.41 -1.26 -3.30 113.62 114.45 3gdp n SER 346 Ca -0.14 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 3gdp n SER 346 Cb 0.60 -0.60 0.21 0.00 -0.26 0.00 0.00 64.21 64.17 3gdp n SER 346 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gdp n SER 347 N -1.74 2.68 -4.77 4.04 3.41 -1.26 -4.95 113.62 111.04 3gdp n SER 347 Ca 0.05 -2.06 -0.40 0.00 -0.26 0.00 0.00 58.87 56.20 3gdp n SER 347 Cb 0.31 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.45 3.09 0.16 7.33 5.04 -1.21 -4.97 117.35 125.34 3gdp s TYR 348 Ca 0.32 1.50 -0.31 0.00 -2.44 0.00 0.00 57.07 56.15 3gdp s TYR 348 Cb 0.17 -3.52 -0.08 0.00 0.35 0.00 0.00 41.96 38.88 3gdp s TYR 348 CO 0.20 -1.53 1.34 -1.25 -1.34 0.00 0.00 175.55 172.97 3gdp s PRO 349 N -2.00 4.36 0.21 4.97 0.04 -1.26 -5.01 135.00 136.32 3gdp s PRO 349 Ca 0.52 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.48 3gdp s PRO 349 Cb -0.35 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 30.89 3gdp s PRO 349 CO 0.46 -0.33 0.61 -0.51 0.04 0.00 0.00 177.00 177.26 3gdp s LEU 350 N 0.41 4.25 -0.04 -3.56 1.43 -1.26 -4.85 118.68 115.05 3gdp s LEU 350 Ca 0.60 1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 54.52 3gdp s LEU 350 Cb -0.36 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 3gdp s LEU 350 CO 0.35 -0.00 1.20 -2.16 0.23 0.00 0.00 176.35 175.96 3gdp s PRO 351 N -2.34 4.36 0.00 1.29 0.04 -1.26 -4.92 135.00 132.17 3gdp s PRO 351 Ca 0.44 1.68 0.22 0.00 0.04 0.00 0.00 61.00 63.38 3gdp s PRO 351 Cb -0.13 -3.53 0.60 0.00 0.04 0.00 0.00 34.50 31.47 3gdp s PRO 351 CO 0.20 -0.42 1.48 0.27 0.04 0.00 0.00 177.00 178.57 3gdp n ASN 352 N 5.03 2.41 -3.44 6.66 0.23 -1.26 -1.94 115.26 122.94 3gdp n ASN 352 Ca 0.11 -1.83 -0.14 0.00 -0.53 0.00 0.00 54.58 52.18 3gdp n ASN 352 Cb 0.46 -0.15 -0.05 0.00 -2.08 0.00 0.00 39.78 37.96 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 -1.57 0.83 0.54 0.53 1.04 -1.26 -4.85 113.70 108.95 3gdp s SER 353 Ca 0.34 -1.45 -0.22 0.00 0.48 0.00 0.00 55.95 55.10 3gdp s SER 353 Cb 0.20 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.88 3gdp s SER 353 CO 0.29 -1.20 1.35 0.42 0.98 0.00 0.00 173.24 175.08 3gdp s THR 354 N -3.33 2.13 0.19 2.02 -4.23 -1.26 -3.59 115.64 107.56 3gdp s THR 354 Ca 0.32 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.82 3gdp s THR 354 Cb 0.01 -3.05 -0.00 0.00 1.34 0.00 0.00 72.50 70.79 3gdp s THR 354 CO 0.19 -0.00 0.36 0.72 -0.54 0.00 0.00 174.62 175.35 3gdp s PHE 355 N -1.31 0.30 -0.08 3.99 -0.12 -0.82 -4.28 117.98 115.67 3gdp s PHE 355 Ca 0.71 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.98 3gdp s PHE 355 Cb -0.40 0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.05 3gdp s PHE 355 CO 0.47 -0.80 -0.24 0.00 -0.05 0.00 0.00 175.22 174.60 3gdp s ALA 356 N -3.96 2.15 -0.41 1.99 0.00 -0.49 -1.46 121.76 119.58 3gdp s ALA 356 Ca 0.17 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3gdp s ALA 356 Cb 0.02 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.50 3gdp s ALA 356 CO 0.01 0.36 0.23 -1.58 0.00 0.00 0.00 175.76 174.78 3gdp s HIS 357 N 0.06 3.42 -0.37 0.00 2.46 0.11 -1.25 115.29 119.71 3gdp s HIS 357 Ca -0.10 -1.88 -0.22 0.00 0.47 0.00 0.00 55.06 53.33 3gdp s HIS 357 Cb -0.16 -3.03 0.01 0.00 -0.13 0.00 0.00 32.58 29.28 3gdp s HIS 357 CO 0.06 -0.90 0.72 -0.06 -2.47 0.00 0.00 174.74 172.08 3gdp s PHE 358 N 1.31 3.12 0.07 3.88 0.40 -0.13 -1.48 117.98 125.14 3gdp s PHE 358 Ca 0.04 0.42 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 3gdp s PHE 358 Cb -0.23 -3.31 -0.04 0.00 0.51 0.00 0.00 43.02 39.95 3gdp s PHE 358 CO -0.01 -0.72 -0.11 0.00 0.70 0.00 0.00 175.22 175.09 3gdp s ALA 359 N 2.95 2.90 -0.07 5.36 0.00 -0.58 -1.33 121.76 130.98 3gdp s ALA 359 Ca 0.28 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3gdp s ALA 359 Cb -0.14 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.09 3gdp s ALA 359 CO 0.17 0.62 -0.07 0.45 0.00 0.00 0.00 175.76 176.93 3gdp s SER 360 N -1.88 1.63 -0.19 0.00 0.15 0.21 -2.24 113.70 111.38 3gdp s SER 360 Ca 0.19 -0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.58 3gdp s SER 360 Cb -0.11 -0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 63.51 3gdp s SER 360 CO 0.11 -0.06 -0.03 -0.75 1.20 0.00 0.00 173.24 173.71 3gdp s LYS 361 N 1.20 3.55 0.15 5.44 2.20 0.11 -1.78 119.74 130.59 3gdp s LYS 361 Ca -0.06 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 3gdp s LYS 361 Cb -0.14 -3.00 -0.07 0.00 -1.51 0.00 0.00 37.83 33.11 3gdp s LYS 361 CO -0.02 0.01 1.08 0.08 -0.36 0.00 0.00 175.35 176.15 3gdp s VAL 362 N 0.97 4.03 0.79 4.02 1.01 -1.11 -0.29 120.40 129.82 3gdp s VAL 362 Ca 0.01 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 3gdp s VAL 362 Cb -0.14 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.23 3gdp s VAL 362 CO 0.01 0.26 1.15 0.00 0.00 0.00 0.00 175.10 176.52 3gdp s ALA 363 N 0.00 1.98 0.00 5.51 0.00 -0.53 -4.52 121.76 124.20 3gdp s ALA 363 Ca 0.50 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3gdp s ALA 363 Cb -0.28 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3gdp s ALA 363 CO 0.33 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.43 3gdp n GLY 364 N -0.18 0.99 3.94 0.00 0.00 -1.26 -4.38 105.19 104.30 3gdp n GLY 364 Ca 0.11 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 2.97 0.21 1.61 0.04 -1.26 -1.16 135.00 137.41 3gdp s PRO 365 Ca 0.00 -0.33 0.11 0.00 0.04 0.00 0.00 61.00 60.82 3gdp s PRO 365 Cb 0.00 -2.44 0.07 0.00 0.04 0.00 0.00 34.50 32.17 3gdp s PRO 365 CO 0.00 -0.47 1.44 -0.07 0.04 0.00 0.00 177.00 177.94 3gdp h LEU 366 N 0.16 0.00-10.03 -3.56 3.38 -1.94 -3.45 115.31 99.86 3gdp h LEU 366 Ca -0.46 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.04 3gdp h LEU 366 Cb 1.26 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.03 3gdp h LEU 366 CO 0.58 0.75 0.40 -0.44 0.09 0.00 0.00 178.44 179.83 3gdp s SER 367 N -6.67 6.43 0.19 -0.43 0.01 -1.26 -4.92 113.70 107.05 3gdp s SER 367 Ca 0.01 2.00 -0.17 0.00 1.31 0.00 0.00 55.95 59.09 3gdp s SER 367 Cb 0.10 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.79 3gdp s SER 367 CO 0.78 -0.72 0.51 -0.72 0.41 0.00 0.00 173.24 173.50 3gdp s TYR 368 N -1.84 -0.12 0.00 2.43 -0.85 -1.23 -4.57 117.35 111.17 3gdp s TYR 368 Ca 0.64 -0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 3gdp s TYR 368 Cb -0.19 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.53 3gdp s TYR 368 CO 0.23 -0.90 0.00 0.41 -1.52 0.00 0.00 175.55 173.77 3gdp n GLY 369 N -0.33 5.41 3.33 5.49 0.00 0.42 -4.51 105.19 115.00 3gdp n GLY 369 Ca -0.10 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 0.08 -0.07 1.61 1.04 -0.93 -1.19 113.70 115.23 3gdp s SER 370 Ca 0.00 -1.11 0.04 0.00 0.48 0.00 0.00 55.95 55.36 3gdp s SER 370 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3gdp s SER 370 CO 0.00 -0.92 -0.19 -0.22 0.98 0.00 0.00 173.24 172.89 3gdp s LEU 371 N -3.06 2.41 0.08 2.42 0.20 0.81 -2.07 118.68 119.47 3gdp s LEU 371 Ca 0.27 -0.37 0.03 0.00 0.69 0.00 0.00 54.13 54.75 3gdp s LEU 371 Cb 0.04 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.29 3gdp s LEU 371 CO 0.07 0.26 -0.08 0.42 -0.29 0.00 0.00 176.35 176.73 3gdp s THR 372 N -0.24 0.75 0.41 3.68 -4.23 -0.45 -4.75 115.64 110.81 3gdp s THR 372 Ca -0.00 -1.59 -0.24 0.00 -1.18 0.00 0.00 61.69 58.69 3gdp s THR 372 Cb -0.13 -1.26 -0.09 0.00 1.34 0.00 0.00 72.50 72.36 3gdp s THR 372 CO 0.03 -0.62 1.05 -0.76 -0.54 0.00 0.00 174.62 173.79 3gdp s LEU 373 N -2.41 4.10 -0.02 4.79 1.43 -1.26 -0.25 118.68 125.06 3gdp s LEU 373 Ca 0.03 2.03 0.19 0.00 -1.03 0.00 0.00 54.13 55.35 3gdp s LEU 373 Cb -0.02 -4.23 -0.27 0.00 0.03 0.00 0.00 46.19 41.69 3gdp s LEU 373 CO -0.01 -0.54 0.46 1.17 0.23 0.00 0.00 176.35 177.66 3gdp n LYS 374 N -0.19 0.64 -3.88 1.70 3.00 -1.26 -4.69 118.16 113.48 3gdp n LYS 374 Ca 0.06 -0.14 -0.16 0.00 -0.00 0.00 0.00 58.31 58.06 3gdp n LYS 374 Cb 0.50 -1.43 -0.16 0.00 0.00 0.00 0.00 35.03 33.94 3gdp n LYS 374 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3gdp s SER 375 N -3.92 0.27 0.00 3.14 0.15 -1.26 -5.03 113.70 107.05 3gdp s SER 375 Ca -0.05 -0.00 0.31 0.00 0.70 0.00 0.00 55.95 56.90 3gdp s SER 375 Cb 0.12 -0.15 1.59 0.00 -1.71 0.00 0.00 66.02 65.88 3gdp s SER 375 CO 0.77 -0.09 2.07 -1.54 1.20 0.00 0.00 173.24 175.64 3gdp n SER 376 N 4.01 0.17 0.00 5.45 3.41 -1.26 -4.28 113.62 121.12 3gdp n SER 376 Ca -0.26 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 3gdp n SER 376 Cb 0.51 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.03 0.37 -4.42 4.04 3.41 -1.26 -4.95 113.62 109.78 3gdp n SER 377 Ca 0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.37 3gdp n SER 377 Cb 0.20 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.27 6.01 0.26 4.04 3.84 -1.26 -4.93 114.94 122.62 3gdp s ASN 378 Ca 0.00 -1.03 0.23 0.00 0.21 0.00 0.00 52.86 52.27 3gdp s ASN 378 Cb 0.00 -2.12 0.98 0.00 -0.55 0.00 0.00 41.25 39.56 3gdp s ASN 378 CO 0.00 -0.47 1.70 0.55 -2.79 0.00 0.00 177.10 176.08 3gdp n VAL 379 N 5.12 0.86 1.39 -5.21 3.14 -1.26 -2.22 118.33 120.14 3gdp n VAL 379 Ca -0.11 0.27 0.14 0.00 -2.96 0.00 0.00 64.34 61.68 3gdp n VAL 379 Cb 0.46 -1.21 0.63 0.00 -1.06 0.00 0.00 33.84 32.66 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 -2.22 0.60 -3.35 1.45 1.74 -1.26 -4.70 116.66 108.92 3gdp n ARG 380 Ca 0.02 -0.17 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 3gdp n ARG 380 Cb 0.21 -1.50 -0.09 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 -2.52 5.13 0.29 1.55 1.01 -0.94 -5.03 120.40 119.89 3gdp s VAL 381 Ca 0.28 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 3gdp s VAL 381 Cb 0.20 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 3gdp s VAL 381 CO 0.48 0.03 1.22 -0.24 0.00 0.00 0.00 175.10 176.60 3gdp n SER 382 N 5.44 2.25 -4.80 3.32 2.88 -1.26 -4.71 113.62 116.73 3gdp n SER 382 Ca -0.07 1.18 -0.30 0.00 -1.33 0.00 0.00 58.87 58.35 3gdp n SER 382 Cb 0.50 -1.40 0.09 0.00 -0.75 0.00 0.00 64.21 62.66 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 -1.38 2.02 0.09 -1.46 0.02 -1.26 -4.33 135.00 128.70 3gdp s PRO 383 Ca 0.60 0.62 -0.15 0.00 0.02 0.00 0.00 61.00 62.09 3gdp s PRO 383 Cb -0.64 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 31.90 3gdp s PRO 383 CO 0.58 -1.66 0.50 -0.80 -0.33 0.00 0.00 177.00 175.29 3gdp s ASN 384 N -3.91 6.85 -0.02 2.53 0.01 0.65 -4.88 114.94 116.17 3gdp s ASN 384 Ca 0.61 1.06 -0.02 0.00 -0.71 0.00 0.00 52.86 53.80 3gdp s ASN 384 Cb -0.14 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.24 3gdp s ASN 384 CO 0.54 0.20 0.06 0.68 -1.51 0.00 0.00 177.10 177.08 3gdp s VAL 385 N -1.28 0.00 -0.04 1.60 -7.23 -1.26 -1.34 120.40 110.85 3gdp s VAL 385 Ca 0.32 -0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.51 3gdp s VAL 385 Cb -0.16 -0.10 0.00 0.00 0.56 0.00 0.00 36.38 36.68 3gdp s VAL 385 CO 0.18 -0.00 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.09 3gdp s LYS 386 N 0.02 1.32 -0.01 4.82 2.20 -0.88 -0.30 119.74 126.91 3gdp s LYS 386 Ca -0.00 -0.42 0.14 0.00 -0.36 0.00 0.00 55.97 55.33 3gdp s LYS 386 Cb -0.01 -1.18 -0.19 0.00 -1.51 0.00 0.00 37.83 34.95 3gdp s LYS 386 CO 0.00 0.15 0.45 1.19 -0.36 0.00 0.00 175.35 176.78 3gdp n PHE 387 N 3.30 0.00 -3.64 4.03 3.01 -1.26 -2.20 117.46 120.70 3gdp n PHE 387 Ca -0.19 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.06 3gdp n PHE 387 Cb 0.53 -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 -1.67 -1.78 -4.60 4.37 3.02 -1.26 -3.56 115.26 109.79 3gdp n ASN 388 Ca -0.00 -0.80 -0.49 0.00 -0.03 0.00 0.00 54.58 53.26 3gdp n ASN 388 Cb 0.29 -4.22 -0.05 0.00 -0.61 0.00 0.00 39.78 35.20 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 -4.19 1.52 -1.48 3.10 4.02 -1.26 -1.63 117.16 117.24 3gdp n TYR 389 Ca -0.28 0.61 -0.16 0.00 -0.01 0.00 0.00 57.90 58.06 3gdp n TYR 389 Cb 0.67 -2.33 -0.07 0.00 -0.02 0.00 0.00 39.34 37.59 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 2.05 0.00 0.18 -0.72 0.53 -1.26 -4.84 117.16 113.10 3gdp n TYR 390 Ca 0.16 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 57.07 3gdp n TYR 390 Cb 0.23 -3.07 0.35 0.00 -1.03 0.00 0.00 39.34 35.83 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 -3.67 7.72 4.64 -1.67 -3.37 113.55 117.20 3gdp h SER 391 Ca -0.34 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.34 3gdp h SER 391 Cb 1.22 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.15 3gdp h SER 391 CO 0.49 0.38 -0.21 0.21 -0.87 0.00 0.00 176.83 176.84 3gdp s ASN 392 N -6.90 6.25 0.63 4.97 3.84 -1.26 -4.96 114.94 117.51 3gdp s ASN 392 Ca -0.03 0.04 0.40 0.00 0.21 0.00 0.00 52.86 53.49 3gdp s ASN 392 Cb 0.14 -2.22 2.12 0.00 -0.55 0.00 0.00 41.25 40.75 3gdp s ASN 392 CO 0.72 -0.31 2.27 -0.07 -2.79 0.00 0.00 177.10 176.93 3gdp h LEU 393 N 8.77 0.00 -0.88 3.21 3.38 -2.01 -1.66 115.31 126.12 3gdp h LEU 393 Ca -0.30 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 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 0.01 -0.39 0.74 0.09 0.00 0.00 178.44 179.58 3gdp h THR 394 N 0.00 1.30 -0.70 0.22 2.02 -1.93 -1.05 112.91 112.78 3gdp h THR 394 Ca -0.00 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.65 3gdp h THR 394 Cb 0.12 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3gdp h THR 394 CO 0.00 0.46 0.32 0.44 0.37 0.00 0.00 175.52 177.10 3gdp h ASP 395 N 0.30 0.93 -0.43 4.18 3.32 -1.67 -1.89 116.42 121.15 3gdp h ASP 395 Ca 0.03 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3gdp h ASP 395 Cb 0.81 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3gdp h ASP 395 CO 0.07 0.82 0.19 0.25 -1.72 0.00 0.00 179.24 178.85 3gdp h LEU 396 N 0.98 0.58 -1.12 1.55 5.85 -1.41 -0.88 115.31 120.87 3gdp h LEU 396 Ca 0.24 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3gdp h LEU 396 Cb 0.15 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3gdp h LEU 396 CO -0.03 0.57 0.60 -1.28 -0.34 0.00 0.00 178.44 177.96 3gdp h SER 397 N 0.56 1.00 -0.06 1.25 0.87 -0.98 -0.85 113.55 115.32 3gdp h SER 397 Ca 0.15 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 3gdp h SER 397 Cb 0.16 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3gdp h SER 397 CO -0.01 0.70 -0.26 0.45 -0.53 0.00 0.00 176.83 177.17 3gdp h HIS 398 N 1.16 0.56 -0.42 2.24 3.86 -0.87 -1.72 115.15 119.96 3gdp h HIS 398 Ca 0.35 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.39 3gdp h HIS 398 Cb -0.03 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3gdp h HIS 398 CO -0.00 0.72 0.07 0.00 0.86 0.00 0.00 177.93 179.58 3gdp h VAL 400 N 0.54 0.89 -0.77 0.00 2.07 -0.92 0.14 116.25 118.20 3gdp h VAL 400 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 3gdp h VAL 400 Cb 0.36 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3gdp h VAL 400 CO 0.01 0.00 0.47 0.28 0.02 0.00 0.00 177.57 178.34 3gdp h SER 401 N -0.00 0.92 -0.46 0.57 0.02 -1.20 -1.33 113.55 112.07 3gdp h SER 401 Ca 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3gdp h SER 401 Cb 0.08 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3gdp h SER 401 CO -0.11 0.71 0.23 1.23 -1.14 0.00 0.00 176.83 177.75 3gdp h GLY 402 N 1.05 0.70 2.00 -3.77 0.00 -0.52 -1.91 103.07 100.61 3gdp h GLY 402 Ca 0.28 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 3gdp h GLY 402 CO -0.05 0.32 -0.39 -0.33 0.00 0.00 0.00 176.54 176.09 3gdp h MET 403 N 0.60 0.00 -0.27 4.80 2.07 -0.46 -1.98 114.93 119.68 3gdp h MET 403 Ca 0.16 0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.68 3gdp h MET 403 Cb 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 3gdp h MET 403 CO -0.02 0.39 -0.30 0.87 1.07 0.00 0.00 176.91 178.91 3gdp h LYS 404 N 0.00 0.55 -0.41 1.72 1.57 -0.97 -0.23 116.57 118.80 3gdp h LYS 404 Ca -0.00 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 3gdp h LYS 404 Cb 0.84 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3gdp h LYS 404 CO 0.05 0.79 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.33 3gdp h LYS 405 N 0.47 0.77 -0.76 3.15 1.63 -0.73 -0.24 116.57 120.86 3gdp h LYS 405 Ca 0.06 -0.28 -0.04 0.00 -0.85 0.00 0.00 60.65 59.54 3gdp h LYS 405 Cb 0.76 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 3gdp h LYS 405 CO 0.06 0.89 0.32 0.82 -3.45 0.00 0.00 179.45 178.09 3gdp h ILE 406 N 0.68 1.25 -0.95 2.00 1.08 -0.95 -0.57 117.51 120.05 3gdp h ILE 406 Ca 0.11 -0.77 0.05 0.00 -0.39 0.00 0.00 64.86 63.86 3gdp h ILE 406 Cb 0.66 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 34.67 3gdp h ILE 406 CO 0.05 0.32 0.62 1.23 -0.69 0.00 0.00 178.15 179.67 3gdp h GLY 407 N 1.14 1.38 0.95 5.37 0.00 0.12 -0.51 103.07 111.53 3gdp h GLY 407 Ca 0.26 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3gdp h GLY 407 CO -0.02 0.37 0.13 0.83 0.00 0.00 0.00 176.54 177.84 3gdp h GLU 408 N 1.15 0.69 -0.70 4.80 5.08 0.22 -2.48 114.58 123.34 3gdp h GLU 408 Ca 0.39 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3gdp h GLU 408 Cb 0.08 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3gdp h GLU 408 CO -0.13 0.68 0.42 -0.07 -1.00 0.00 0.00 179.01 178.91 3gdp h LEU 409 N 0.58 0.66 -2.06 1.33 3.38 -0.01 -0.89 115.31 118.30 3gdp h LEU 409 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3gdp h LEU 409 Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gdp h LEU 409 CO -0.00 0.44 0.00 -0.07 0.09 0.00 0.00 178.44 178.89 3gdp h LEU 410 N 0.79 0.00 -1.72 1.67 3.38 -0.89 -2.51 115.31 116.03 3gdp h LEU 410 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3gdp h LEU 410 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gdp h LEU 410 CO -0.15 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.18 3gdp n SER 411 N -3.03 2.65 -4.82 -0.43 7.64 -0.37 -4.64 113.62 110.62 3gdp n SER 411 Ca -0.01 -1.87 -0.32 0.00 1.01 0.00 0.00 58.87 57.69 3gdp n SER 411 Cb 0.20 -0.04 0.03 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.93 4.04 0.31 0.44 -4.23 -0.95 -4.93 115.64 108.40 3gdp s THR 412 Ca 0.32 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 3gdp s THR 412 Cb 0.20 -3.45 0.21 0.00 1.34 0.00 0.00 72.50 70.81 3gdp s THR 412 CO 0.31 -0.76 1.91 0.44 -0.54 0.00 0.00 174.62 175.98 3gdp h ASP 413 N -0.23 0.75 -0.98 3.99 3.32 -1.93 -2.69 116.42 118.65 3gdp h ASP 413 Ca -0.45 -0.08 0.16 0.00 0.02 0.00 0.00 57.03 56.68 3gdp h ASP 413 Cb 1.21 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.48 3gdp h ASP 413 CO 0.58 0.65 0.61 0.00 -1.72 0.00 0.00 179.24 179.36 3gdp h ALA 414 N 1.47 1.69 -0.02 3.45 0.00 -1.91 -2.22 119.26 121.72 3gdp h ALA 414 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gdp h ALA 414 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gdp h ALA 414 CO -0.03 0.01 -0.25 1.28 0.00 0.00 0.00 179.25 180.27 3gdp n LEU 415 N -4.65 2.25 -0.29 0.00 4.77 -1.04 -4.45 117.00 113.59 3gdp n LEU 415 Ca 0.20 -0.78 0.07 0.00 -0.03 0.00 0.00 56.01 55.47 3gdp n LEU 415 Cb 0.48 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.78 3gdp n LEU 415 CO 0.26 0.40 1.09 0.50 -1.33 0.00 0.00 177.39 178.31 3gdp h LYS 416 N 3.14 0.59 0.00 3.23 3.64 -1.17 -0.48 116.57 125.51 3gdp h LYS 416 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3gdp h LYS 416 Cb 0.80 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3gdp h LYS 416 CO 0.00 0.39 0.00 -2.30 -2.27 0.00 0.00 179.45 175.27 3gdp n PRO 417 N -4.88 0.14 -0.27 1.90 -0.02 -1.26 -2.20 135.00 128.41 3gdp n PRO 417 Ca 0.17 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 3gdp n PRO 417 Cb 0.44 -1.90 0.27 0.00 -0.02 0.00 0.00 33.50 32.29 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 -2.19 0.71 -2.64 6.00 4.02 -0.19 -4.81 117.16 118.05 3gdp n TYR 418 Ca -0.00 -0.35 -0.29 0.00 -0.01 0.00 0.00 57.90 57.24 3gdp n TYR 418 Cb 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.29 3.66 0.00 -0.72 1.02 -0.94 -4.34 119.74 117.13 3gdp s LYS 419 Ca 0.42 0.39 0.22 0.00 0.02 0.00 0.00 55.97 57.03 3gdp s LYS 419 Cb 0.23 -2.34 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 3gdp s LYS 419 CO 0.31 -0.17 0.99 1.33 -0.92 0.00 0.00 175.35 176.89 3gdp n VAL 420 N -1.88 0.02 -3.69 3.17 0.24 0.59 -4.62 118.33 112.16 3gdp n VAL 420 Ca 0.02 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.34 62.12 3gdp n VAL 420 Cb 0.54 0.71 -0.08 0.00 -1.47 0.00 0.00 33.84 33.54 3gdp n VAL 420 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3gdp s GLU 421 N -3.05 0.71 -0.32 7.34 2.12 -0.75 -5.06 118.70 119.69 3gdp s GLU 421 Ca 0.07 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.37 3gdp s GLU 421 Cb 0.16 0.33 -0.00 0.00 0.26 0.00 0.00 34.13 34.88 3gdp s GLU 421 CO 0.83 -0.17 1.41 -0.51 -0.54 0.00 0.00 175.26 176.28 3gdp s ASP 422 N -0.65 6.49 0.02 -1.70 1.01 -1.26 -4.39 116.67 116.18 3gdp s ASP 422 Ca -0.07 1.17 -0.17 0.00 0.71 0.00 0.00 52.55 54.19 3gdp s ASP 422 Cb -0.03 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.39 3gdp s ASP 422 CO 0.04 -1.24 0.38 -0.76 0.21 0.00 0.00 175.17 173.80 3gdp s LEU 423 N 4.93 0.55 0.29 1.23 1.43 -1.26 -4.97 118.68 120.88 3gdp s LEU 423 Ca 0.61 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 3gdp s LEU 423 Cb -0.17 1.58 -0.10 0.00 0.03 0.00 0.00 46.19 47.53 3gdp s LEU 423 CO 0.27 -0.58 1.34 -2.16 0.23 0.00 0.00 176.35 175.45 3gdp s PRO 424 N -2.04 4.34 7.99 1.29 0.05 -1.26 -4.59 135.00 140.78 3gdp s PRO 424 Ca -0.08 2.21 0.00 0.00 0.05 0.00 0.00 61.00 63.18 3gdp s PRO 424 Cb -0.02 -3.10 0.00 0.00 0.05 0.00 0.00 34.50 31.43 3gdp s PRO 424 CO 0.00 -0.26 0.00 0.41 0.05 0.00 0.00 177.00 177.20 3gdp n GLY 425 N 1.44 4.12 0.13 0.56 0.00 -1.26 -2.55 105.19 107.63 3gdp n GLY 425 Ca 0.03 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 -3.21 1.61 0.24 -1.26 -4.20 118.33 111.51 3gdp n VAL 426 Ca 0.00 -0.07 -0.31 0.00 -2.04 0.00 0.00 64.34 61.92 3gdp n VAL 426 Cb 0.00 -0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.13 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 -2.13 3.80 0.00 7.34 2.02 -1.06 -4.46 118.70 124.21 3gdp s GLU 427 Ca 0.41 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.75 3gdp s GLU 427 Cb 0.21 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.90 3gdp s GLU 427 CO 0.39 0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.26 3gdp n GLY 428 N -0.63 0.95 3.93 -1.39 0.00 -1.26 -4.20 105.19 102.59 3gdp n GLY 428 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.52 -0.67 1.61 0.40 -1.26 -0.30 117.98 119.28 3gdp s PHE 429 Ca 0.00 0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 56.69 3gdp s PHE 429 Cb 0.00 -2.05 0.12 0.00 0.51 0.00 0.00 43.02 41.60 3gdp s PHE 429 CO 0.00 0.00 0.76 1.21 0.70 0.00 0.00 175.22 177.89 3gdp s ASN 430 N -3.93 6.32 -0.03 1.36 3.04 -1.26 -4.84 114.94 115.61 3gdp s ASN 430 Ca 0.43 -1.71 -0.20 0.00 0.04 0.00 0.00 52.86 51.42 3gdp s ASN 430 Cb -0.10 -2.30 -0.05 0.00 -1.54 0.00 0.00 41.25 37.26 3gdp s ASN 430 CO 0.38 -1.02 0.57 -0.63 -3.04 0.00 0.00 177.10 173.36 3gdp s ILE 431 N 2.28 4.97 -0.29 -5.21 -1.09 -1.26 -0.61 121.20 119.99 3gdp s ILE 431 Ca 0.15 1.18 -0.10 0.00 -2.23 0.00 0.00 60.65 59.66 3gdp s ILE 431 Cb -0.20 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 3gdp s ILE 431 CO 0.02 0.40 0.14 -0.22 -1.23 0.00 0.00 174.94 174.06 3gdp s LEU 432 N -0.06 3.93 0.00 2.97 2.96 -0.81 -4.97 118.68 122.70 3gdp s LEU 432 Ca 0.30 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 3gdp s LEU 432 Cb -0.18 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3gdp s LEU 432 CO 0.16 -0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 3gdp n GLY 433 N 4.99 -1.44 3.67 7.98 0.00 -1.26 -4.19 105.19 114.93 3gdp n GLY 433 Ca -0.14 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 4.27 0.66 -0.61 1.01 -1.26 -5.03 121.20 120.24 3gdp s ILE 434 Ca 0.00 1.55 -0.09 0.00 0.00 0.00 0.00 60.65 62.12 3gdp s ILE 434 Cb 0.00 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.49 3gdp s ILE 434 CO 0.00 -0.11 1.01 -2.16 0.00 0.00 0.00 174.94 173.68 3gdp s PRO 435 N 3.22 2.82 0.66 2.79 0.04 -1.26 -4.89 135.00 138.37 3gdp s PRO 435 Ca 0.55 0.21 -0.13 0.00 0.04 0.00 0.00 61.00 61.67 3gdp s PRO 435 Cb -0.22 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3gdp s PRO 435 CO 0.16 -0.92 1.06 -0.51 0.04 0.00 0.00 177.00 176.83 3gdp s LEU 436 N -5.20 3.30 0.54 -3.56 1.43 -1.26 -4.98 118.68 108.95 3gdp s LEU 436 Ca 0.57 1.75 -0.21 0.00 -1.03 0.00 0.00 54.13 55.21 3gdp s LEU 436 Cb -0.11 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.55 3gdp s LEU 436 CO 0.48 -1.39 1.25 -2.84 0.23 0.00 0.00 176.35 174.08 3gdp s PRO 437 N -4.54 3.22 0.12 1.29 0.02 -1.26 -4.91 135.00 128.94 3gdp s PRO 437 Ca 0.61 1.95 -0.15 0.00 0.02 0.00 0.00 61.00 63.43 3gdp s PRO 437 Cb -0.16 -2.16 -0.03 0.00 0.02 0.00 0.00 34.50 32.18 3gdp s PRO 437 CO 0.46 -1.04 1.57 0.87 -0.33 0.00 0.00 177.00 178.53 3gdp h LYS 438 N 1.37 0.66 -6.62 5.54 1.57 -2.00 -3.40 116.57 113.69 3gdp h LYS 438 Ca -0.50 -0.21 -0.56 0.00 -1.87 0.00 0.00 60.65 57.51 3gdp h LYS 438 Cb 1.29 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 3gdp h LYS 438 CO 0.57 0.76 0.99 0.34 -0.57 0.00 0.00 179.45 181.54 3gdp s ASP 439 N -6.15 6.47 0.00 0.86 -1.08 -1.26 -4.89 116.67 110.61 3gdp s ASP 439 Ca -0.13 0.48 0.17 0.00 -0.52 0.00 0.00 52.55 52.55 3gdp s ASP 439 Cb 0.10 -2.55 0.93 0.00 -1.46 0.00 0.00 42.92 39.94 3gdp s ASP 439 CO 0.79 -1.39 1.46 0.00 0.52 0.00 0.00 175.17 176.55 3gdp n GLN 440 N 8.10 0.39 -0.04 4.34 1.13 -1.26 -2.29 117.38 127.74 3gdp n GLN 440 Ca 0.13 0.07 0.06 0.00 -1.94 0.00 0.00 57.00 55.32 3gdp n GLN 440 Cb 0.49 -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 -1.15 0.18 -2.84 5.09 -2.24 -1.26 -4.86 114.28 107.21 3gdp n THR 441 Ca 0.10 -0.59 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 3gdp n THR 441 Cb 0.10 1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.03 6.86 0.24 3.42 -1.08 -0.97 -4.86 116.67 119.25 3gdp s ASP 442 Ca 0.17 -2.50 -0.05 0.00 -0.52 0.00 0.00 52.55 49.65 3gdp s ASP 442 Cb 0.11 -2.45 0.36 0.00 -1.46 0.00 0.00 42.92 39.48 3gdp s ASP 442 CO 0.16 -0.98 1.82 0.44 0.52 0.00 0.00 175.17 177.13 3gdp h ASP 443 N 7.92 0.70 -0.90 -0.34 5.19 -1.89 -1.77 116.42 125.34 3gdp h ASP 443 Ca 0.29 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.75 3gdp h ASP 443 Cb 0.92 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 3gdp h ASP 443 CO 1.27 0.42 0.59 0.00 -3.12 0.00 0.00 179.24 178.40 3gdp h ALA 444 N 1.43 1.37 -0.41 3.45 0.00 -1.99 -0.10 119.26 123.00 3gdp h ALA 444 Ca 0.38 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3gdp h ALA 444 Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gdp h ALA 444 CO -0.22 0.58 -0.24 0.00 0.00 0.00 0.00 179.25 179.37 3gdp h ALA 445 N 1.44 0.80 -0.11 0.00 0.00 -1.75 -2.43 119.26 117.21 3gdp h ALA 445 Ca 0.33 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3gdp h ALA 445 Cb -0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gdp h ALA 445 CO -0.07 0.65 -0.40 0.74 0.00 0.00 0.00 179.25 180.16 3gdp h PHE 446 N 0.73 0.28 -0.48 0.00 -1.00 -0.71 -1.41 116.94 114.35 3gdp h PHE 446 Ca 0.09 -0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 3gdp h PHE 446 Cb 0.78 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.26 3gdp h PHE 446 CO 0.04 0.61 0.04 0.93 -1.61 0.00 0.00 178.31 178.33 3gdp h GLU 447 N 0.21 0.82 -0.71 1.51 5.08 -0.80 0.41 114.58 121.09 3gdp h GLU 447 Ca 0.02 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3gdp h GLU 447 Cb 0.80 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3gdp h GLU 447 CO 0.06 0.84 0.23 1.15 -1.00 0.00 0.00 179.01 180.30 3gdp h THR 448 N 0.68 1.26 -0.02 1.13 2.02 -1.23 -1.30 112.91 115.45 3gdp h THR 448 Ca 0.14 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3gdp h THR 448 Cb 0.45 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3gdp h THR 448 CO 0.02 0.35 0.00 0.15 0.37 0.00 0.00 175.52 176.41 3gdp h PHE 449 N 1.05 0.01 -0.20 3.16 3.57 -0.96 -0.71 116.94 122.85 3gdp h PHE 449 Ca 0.23 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.77 3gdp h PHE 449 Cb 0.30 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 3gdp h PHE 449 CO 0.02 0.00 -0.05 0.00 -2.23 0.00 0.00 178.31 176.05 3gdp h ARG 451 N -0.00 0.68 0.00 0.00 3.08 -1.11 -2.95 114.38 114.08 3gdp h ARG 451 Ca 0.10 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3gdp h ARG 451 Cb 0.15 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gdp h ARG 451 CO -0.21 0.74 -0.18 0.93 -1.07 0.00 0.00 179.97 180.19 3gdp h GLU 452 N 0.53 0.00 -0.12 0.04 5.08 -1.03 -3.33 114.58 115.75 3gdp h GLU 452 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 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 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 3gdp n SER 453 N -2.33 2.12 -4.73 1.42 3.41 -0.50 -5.06 113.62 107.96 3gdp n SER 453 Ca 0.05 -1.63 -0.39 0.00 -0.26 0.00 0.00 58.87 56.64 3gdp n SER 453 Cb 0.45 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.37 3.80 -4.24 -3.33 3.14 -1.11 -4.75 118.33 112.19 3gdp n VAL 454 Ca 0.06 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.77 3gdp n VAL 454 Cb 0.28 -1.62 -0.08 0.00 -1.06 0.00 0.00 33.84 31.36 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 -1.30 1.58 0.09 1.55 0.00 -0.14 -4.68 121.76 118.87 3gdp s ALA 455 Ca 0.72 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 3gdp s ALA 455 Cb -0.42 1.43 -0.05 0.00 0.00 0.00 0.00 23.12 24.07 3gdp s ALA 455 CO 0.49 -0.66 0.36 0.45 0.00 0.00 0.00 175.76 176.40 3gdp s SER 456 N -3.31 6.54 0.00 0.00 0.15 -1.26 -0.47 113.70 115.35 3gdp s SER 456 Ca 0.39 0.65 0.27 0.00 0.70 0.00 0.00 55.95 57.96 3gdp s SER 456 Cb 0.03 -2.12 0.85 0.00 -1.71 0.00 0.00 66.02 63.07 3gdp s SER 456 CO 0.23 0.13 1.62 0.00 1.20 0.00 0.00 173.24 176.43 3gdp n TYR 457 N 0.57 0.00 -1.10 3.44 9.36 -1.13 -4.63 117.16 123.67 3gdp n TYR 457 Ca -0.06 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.13 3gdp n TYR 457 Cb 0.52 -0.05 -0.01 0.00 -0.63 0.00 0.00 39.34 39.16 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 -0.15 0.00 -1.27 2.98 8.01 -1.26 -4.90 117.44 120.85 3gdp n TRP 458 Ca 0.15 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 56.18 3gdp n TRP 458 Cb 0.37 -1.25 0.20 0.00 -2.01 0.00 0.00 31.31 28.61 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 -2.60 2.47 -1.49 -5.99 8.25 -1.26 -5.01 115.22 109.59 3gdp n HIS 459 Ca -0.03 -1.72 -0.37 0.00 -0.26 0.00 0.00 57.72 55.34 3gdp n HIS 459 Cb 0.26 -0.80 0.07 0.00 1.12 0.00 0.00 29.99 30.64 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 -1.05 0.68 -3.82 4.41 0.18 -1.26 -4.63 117.16 111.66 3gdp n TYR 460 Ca 0.51 0.41 -0.08 0.00 1.88 0.00 0.00 57.90 60.62 3gdp n TYR 460 Cb 1.47 -2.10 0.02 0.00 -0.38 0.00 0.00 39.34 38.35 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 -1.67 0.07 0.00 -3.48 -3.43 0.10 -4.90 115.29 101.98 3gdp s HIS 461 Ca 0.75 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 54.34 3gdp s HIS 461 Cb -0.38 0.80 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 3gdp s HIS 461 CO 0.48 -1.42 0.00 0.41 -2.00 0.00 0.00 174.74 172.22 3gdp n GLY 462 N -0.55 -2.29 0.00 -1.38 0.00 -0.59 -0.77 105.19 99.61 3gdp n GLY 462 Ca -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.11 1.84 2.64 -0.02 0.00 -0.91 -4.28 105.19 104.35 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 -2.03 4.16 0.16 0.00 1.43 -1.21 -3.86 118.68 117.33 3gdp s LEU 465 Ca 0.26 2.50 -0.31 0.00 -1.03 0.00 0.00 54.13 55.55 3gdp s LEU 465 Cb 0.29 -4.01 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 3gdp s LEU 465 CO -0.08 -0.83 1.41 -0.69 0.23 0.00 0.00 176.35 176.39 3gdp s VAL 466 N -1.35 3.07 0.00 -1.59 1.01 -0.29 -0.48 120.40 120.78 3gdp s VAL 466 Ca 0.58 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.37 3gdp s VAL 466 Cb -0.34 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3gdp s VAL 466 CO 0.43 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3gdp n GLY 467 N 3.11 1.37 0.49 4.51 0.00 0.14 -4.79 105.19 110.02 3gdp n GLY 467 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 0.04 0.00 1.61 4.76 -0.60 -4.91 118.16 117.07 3gdp n LYS 468 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3gdp n LYS 468 Cb 0.00 -0.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 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 -2.83 0.00 -4.14 -0.18 0.31 0.37 -4.58 118.33 107.28 3gdp n VAL 469 Ca -0.04 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 3gdp n VAL 469 Cb 0.53 -0.68 -0.06 0.00 -0.91 0.00 0.00 33.84 32.73 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 -4.20 3.38 0.00 7.52 1.43 -0.80 -1.97 118.68 124.04 3gdp s LEU 470 Ca 0.00 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3gdp s LEU 470 Cb 0.00 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.39 3gdp s LEU 470 CO 0.00 -0.16 0.49 -0.90 0.23 0.00 0.00 176.35 176.02 3gdp n ASP 471 N -1.09 1.26 0.00 2.29 3.85 -0.36 0.27 116.55 122.76 3gdp n ASP 471 Ca -0.05 -1.92 0.03 0.00 -0.71 0.00 0.00 54.79 52.14 3gdp n ASP 471 Cb 0.60 -0.27 0.17 0.00 -1.35 0.00 0.00 41.12 40.27 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 0.68 -0.60 0.67 6.12 0.00 -1.26 -1.38 105.19 109.42 3gdp n GLY 472 Ca 0.10 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.36 3.16 -0.67 1.61 8.00 -1.26 -4.68 116.55 121.35 3gdp n ASP 473 Ca 0.03 -2.34 -0.09 0.00 0.71 0.00 0.00 54.79 53.10 3gdp n ASP 473 Cb 0.07 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 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 0.10 0.00 -2.98 1.24 3.01 -0.48 -4.98 117.46 113.38 3gdp n PHE 474 Ca 0.14 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.24 3gdp n PHE 474 Cb 0.57 -1.91 -0.06 0.00 -0.01 0.00 0.00 39.48 38.07 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 -2.52 4.34 -0.14 -1.08 0.52 -1.26 -1.83 118.95 116.99 3gdp s ARG 475 Ca 0.00 1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 55.94 3gdp s ARG 475 Cb 0.00 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 3gdp s ARG 475 CO 0.00 0.31 1.21 0.08 0.02 0.00 0.00 175.30 176.91 3gdp s VAL 476 N -1.64 4.34 0.53 3.52 1.01 -0.49 -1.23 120.40 126.45 3gdp s VAL 476 Ca 0.48 1.64 -0.22 0.00 0.00 0.00 0.00 61.98 63.87 3gdp s VAL 476 Cb -0.16 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3gdp s VAL 476 CO 0.21 -0.10 1.35 0.42 0.00 0.00 0.00 175.10 176.98 3gdp s THR 477 N 3.03 2.15 0.00 3.92 -4.23 -0.83 -2.72 115.64 116.97 3gdp s THR 477 Ca 0.53 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 3gdp s THR 477 Cb -0.22 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3gdp s THR 477 CO 0.16 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 3gdp n GLY 478 N 0.70 2.09 2.98 3.99 0.00 -1.26 -4.99 105.19 108.69 3gdp n GLY 478 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.44 0.62 0.36 -0.61 1.01 -1.10 -4.43 121.20 113.60 3gdp s ILE 479 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3gdp s ILE 479 Cb 0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 3gdp s ILE 479 CO 0.00 0.20 0.59 0.20 0.00 0.00 0.00 174.94 175.93 3gdp s ASN 480 N 0.14 6.33 -1.43 3.58 0.01 0.07 -4.40 114.94 119.24 3gdp s ASN 480 Ca -0.02 0.61 -0.03 0.00 -0.71 0.00 0.00 52.86 52.72 3gdp s ASN 480 Cb -0.07 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.50 3gdp s ASN 480 CO 0.00 -0.32 0.26 0.00 -1.51 0.00 0.00 177.10 175.52 3gdp n ALA 481 N -1.64 -0.84 -3.69 0.60 0.00 -1.26 -1.39 120.51 112.28 3gdp n ALA 481 Ca -0.03 0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.40 3gdp n ALA 481 Cb 0.55 -2.58 -0.17 0.00 0.00 0.00 0.00 19.45 17.26 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 -6.18 0.28 0.25 0.00 2.96 -1.26 -0.91 118.68 113.82 3gdp s LEU 482 Ca 0.16 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 3gdp s LEU 482 Cb -0.07 0.01 -0.05 0.00 0.50 0.00 0.00 46.19 46.58 3gdp s LEU 482 CO 0.19 -0.22 0.07 -0.13 -1.32 0.00 0.00 176.35 174.94 3gdp s ARG 483 N 1.95 1.37 -0.06 1.98 0.52 -0.75 -1.40 118.95 122.56 3gdp s ARG 483 Ca 0.01 -1.72 0.01 0.00 -0.52 0.00 0.00 55.73 53.50 3gdp s ARG 483 Cb -0.12 -0.35 0.02 0.00 0.52 0.00 0.00 34.95 35.02 3gdp s ARG 483 CO -0.04 -0.24 -0.05 0.08 0.02 0.00 0.00 175.30 175.07 3gdp s VAL 484 N -3.67 0.66 -0.28 3.52 1.01 -0.76 -0.86 120.40 120.03 3gdp s VAL 484 Ca 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 3gdp s VAL 484 Cb 0.07 -0.69 0.11 0.00 0.00 0.00 0.00 36.38 35.88 3gdp s VAL 484 CO 0.12 0.27 0.19 -0.69 0.00 0.00 0.00 175.10 174.99 3gdp s VAL 485 N 1.12 -0.20 0.00 2.92 1.01 -0.43 -4.85 120.40 119.97 3gdp s VAL 485 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3gdp s VAL 485 Cb -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3gdp s VAL 485 CO -0.01 -0.60 0.00 -0.90 0.00 0.00 0.00 175.10 173.59 3gdp n ASP 486 N 5.28 0.00 0.00 3.32 5.68 -1.26 -4.31 116.55 125.25 3gdp n ASP 486 Ca -0.05 -0.47 0.09 0.00 -0.50 0.00 0.00 54.79 53.87 3gdp n ASP 486 Cb 0.44 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 40.96 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 -0.66 0.07 6.12 0.00 -1.26 -3.42 105.19 106.04 3gdp n GLY 487 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.93 0.34 0.02 1.61 3.41 -1.26 -1.54 113.62 115.26 3gdp n SER 488 Ca 0.14 -0.34 0.13 0.00 -0.26 0.00 0.00 58.87 58.53 3gdp n SER 488 Cb 0.06 -0.13 0.36 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.13 0.09 -4.19 6.66 -2.24 -1.22 -0.98 114.28 111.28 3gdp n THR 489 Ca 0.13 -0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.67 3gdp n THR 489 Cb 0.28 -0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.03 1.15 0.10 4.78 0.40 -1.26 -1.14 117.98 118.98 3gdp s PHE 490 Ca 0.11 -0.44 0.13 0.00 -0.60 0.00 0.00 56.93 56.13 3gdp s PHE 490 Cb 0.17 -0.66 0.20 0.00 0.51 0.00 0.00 43.02 43.24 3gdp s PHE 490 CO 0.65 0.04 1.50 -1.00 0.70 0.00 0.00 175.22 177.11 3gdp h PRO 491 N 4.45 0.00 -6.52 0.24 0.13 -1.91 -3.17 132.00 125.22 3gdp h PRO 491 Ca -0.40 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.09 3gdp h PRO 491 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 3gdp h PRO 491 CO 0.41 0.64 -0.76 0.71 -0.23 0.00 0.00 178.00 178.78 3gdp s TYR 492 N -3.19 2.55 0.18 1.56 4.12 -1.26 -4.51 117.35 116.80 3gdp s TYR 492 Ca 0.01 -0.26 -0.30 0.00 0.02 0.00 0.00 57.07 56.54 3gdp s TYR 492 Cb 0.10 -1.27 -0.08 0.00 -1.52 0.00 0.00 41.96 39.20 3gdp s TYR 492 CO 0.76 0.49 1.16 -0.08 0.02 0.00 0.00 175.55 177.90 3gdp s THR 493 N -1.60 3.67 0.17 -0.71 -1.32 -0.31 -4.94 115.64 110.60 3gdp s THR 493 Ca 0.23 1.42 0.32 0.00 -1.21 0.00 0.00 61.69 62.45 3gdp s THR 493 Cb -0.09 -3.91 0.36 0.00 -1.51 0.00 0.00 72.50 67.35 3gdp s THR 493 CO 0.13 0.24 1.99 1.55 -2.21 0.00 0.00 174.62 176.32 3gdp h PRO 494 N 5.16 0.00 0.00 7.08 0.13 -1.94 -3.45 132.00 138.98 3gdp h PRO 494 Ca -0.44 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.74 3gdp h PRO 494 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3gdp h PRO 494 CO 0.74 0.05 0.22 0.00 -0.23 0.00 0.00 178.00 178.77 3gdp n ALA 495 N -2.13 -1.03 0.19 -0.56 0.00 -1.26 -1.15 120.51 114.57 3gdp n ALA 495 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 53.44 53.06 3gdp n ALA 495 Cb 0.31 0.26 0.48 0.00 0.00 0.00 0.00 19.45 20.50 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 0.79 0.07 -3.24 0.00 4.64 -1.92 -3.38 113.55 110.52 3gdp h SER 496 Ca -0.11 -0.01 -0.44 0.00 -0.47 0.00 0.00 61.79 60.75 3gdp h SER 496 Cb 0.49 -0.02 -0.39 0.00 -0.31 0.00 0.00 62.40 62.17 3gdp h SER 496 CO 0.15 0.22 -0.76 -1.00 -0.87 0.00 0.00 176.83 174.57 3gdp s HIS 497 N -4.73 0.51 -0.94 4.77 3.76 -1.26 -5.07 115.29 112.33 3gdp s HIS 497 Ca -0.05 -0.22 0.28 0.00 -0.15 0.00 0.00 55.06 54.92 3gdp s HIS 497 Cb 0.16 -0.75 1.12 0.00 1.11 0.00 0.00 32.58 34.22 3gdp s HIS 497 CO 0.70 -0.38 1.88 -0.35 -0.85 0.00 0.00 174.74 175.74 3gdp n PRO 498 N 5.19 0.06 -0.32 8.40 -0.04 -1.26 -4.32 135.00 142.71 3gdp n PRO 498 Ca -0.06 0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.47 3gdp n PRO 498 Cb 0.49 -1.57 0.20 0.00 -0.04 0.00 0.00 33.50 32.58 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 1.10 -0.57 0.54 3.07 -1.88 -1.76 115.11 115.60 3gdp h GLN 499 Ca 0.00 -0.07 0.07 0.00 0.09 0.00 0.00 58.65 58.74 3gdp h GLN 499 Cb 0.54 -0.25 -0.06 0.00 0.08 0.00 0.00 27.48 27.80 3gdp h GLN 499 CO 0.00 0.73 0.26 0.78 0.09 0.00 0.00 178.83 180.69 3gdp h GLY 500 N 1.14 0.81 0.99 0.06 0.00 -1.76 0.14 103.07 104.45 3gdp h GLY 500 Ca 0.37 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 3gdp h GLY 500 CO -0.12 0.06 -0.04 -2.75 0.00 0.00 0.00 176.54 173.69 3gdp h PHE 501 N 0.48 0.90 -0.15 5.60 3.57 -1.54 -2.09 116.94 123.70 3gdp h PHE 501 Ca 0.27 -0.17 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 3gdp h PHE 501 Cb 0.25 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3gdp h PHE 501 CO -0.13 0.88 -0.45 1.88 -2.23 0.00 0.00 178.31 178.27 3gdp h TYR 502 N 0.65 0.43 -0.21 0.41 0.99 -0.88 0.73 116.97 119.09 3gdp h TYR 502 Ca 0.12 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 3gdp h TYR 502 Cb 0.55 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 38.18 3gdp h TYR 502 CO 0.04 0.75 0.03 -0.07 -0.00 0.00 0.00 178.16 178.91 3gdp h LEU 503 N 0.30 0.33 -0.56 3.88 3.38 -0.66 -2.78 115.31 119.20 3gdp h LEU 503 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3gdp h LEU 503 Cb 0.91 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3gdp h LEU 503 CO 0.08 0.51 0.29 -0.03 0.09 0.00 0.00 178.44 179.38 3gdp h MET 504 N 0.14 0.79 -0.86 1.13 4.05 -1.20 -3.00 114.93 115.98 3gdp h MET 504 Ca 0.06 -0.10 0.11 0.00 -0.28 0.00 0.00 59.70 59.49 3gdp h MET 504 Cb 0.32 -0.15 -0.08 0.00 -0.80 0.00 0.00 31.60 30.89 3gdp h MET 504 CO 0.00 0.62 0.49 1.25 0.23 0.00 0.00 176.91 179.51 3gdp h LEU 505 N 0.76 0.68 0.03 3.39 5.85 -0.71 0.80 115.31 126.11 3gdp h LEU 505 Ca 0.20 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.00 3gdp h LEU 505 Cb 0.07 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3gdp h LEU 505 CO -0.03 0.36 -0.16 1.23 -0.34 0.00 0.00 178.44 179.50 3gdp h GLY 506 N 0.78 -0.23 1.31 3.75 0.00 -1.34 -1.26 103.07 106.08 3gdp h GLY 506 Ca 0.43 0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.78 3gdp h GLY 506 CO -0.28 -0.15 -0.53 -0.09 0.00 0.00 0.00 176.54 175.48 3gdp h ARG 507 N -0.28 0.73 -0.18 4.80 2.43 -1.52 -2.52 114.38 117.84 3gdp h ARG 507 Ca 0.04 -0.45 0.05 0.00 -0.81 0.00 0.00 59.98 58.81 3gdp h ARG 507 Cb 0.33 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 3gdp h ARG 507 CO -0.13 1.07 -0.26 -0.92 -1.51 0.00 0.00 179.97 178.22 3gdp h TYR 508 N 0.56 -0.71 -0.28 2.20 3.20 -0.54 0.44 116.97 121.85 3gdp h TYR 508 Ca 0.02 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3gdp h TYR 508 Cb 1.11 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 3gdp h TYR 508 CO 0.06 -0.34 -0.10 0.28 -1.64 0.00 0.00 178.16 176.42 3gdp h VAL 509 N -0.31 1.22 -0.76 1.81 2.07 -1.27 -1.85 116.25 117.16 3gdp h VAL 509 Ca 0.11 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.71 3gdp h VAL 509 Cb 0.48 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3gdp h VAL 509 CO -0.35 0.31 0.50 1.23 0.02 0.00 0.00 177.57 179.27 3gdp h GLY 510 N 0.88 1.08 1.23 2.17 0.00 -0.72 -0.71 103.07 107.00 3gdp h GLY 510 Ca 0.09 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3gdp h GLY 510 CO 0.02 0.40 -0.23 -2.22 0.00 0.00 0.00 176.54 174.51 3gdp h ILE 511 N 1.04 1.27 -0.51 2.60 1.08 -0.49 -1.53 117.51 120.96 3gdp h ILE 511 Ca 0.28 -1.38 -0.03 0.00 -0.39 0.00 0.00 64.86 63.34 3gdp h ILE 511 Cb -0.11 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 3gdp h ILE 511 CO -0.06 0.47 0.18 0.11 -0.69 0.00 0.00 178.15 178.16 3gdp h LYS 512 N 0.75 0.75 -0.35 2.37 1.79 -0.83 0.54 116.57 121.59 3gdp h LYS 512 Ca 0.10 -0.12 -0.17 0.00 -2.18 0.00 0.00 60.65 58.28 3gdp h LYS 512 Cb 0.78 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3gdp h LYS 512 CO 0.06 0.64 -0.45 0.82 -1.08 0.00 0.00 179.45 179.44 3gdp h ILE 513 N 0.74 1.27 -0.50 1.86 2.04 -0.87 -1.54 117.51 120.50 3gdp h ILE 513 Ca 0.17 -1.63 -0.09 0.00 1.00 0.00 0.00 64.86 64.31 3gdp h ILE 513 Cb 0.18 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3gdp h ILE 513 CO -0.01 0.54 -0.05 -0.07 0.00 0.00 0.00 178.15 178.55 3gdp h LEU 514 N 0.73 0.87 -0.91 1.44 3.38 -0.71 0.07 115.31 120.18 3gdp h LEU 514 Ca 0.04 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 3gdp h LEU 514 Cb 1.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3gdp h LEU 514 CO 0.11 0.96 -0.34 1.56 0.09 0.00 0.00 178.44 180.82 3gdp h GLN 515 N 0.81 0.39 -0.34 1.13 4.20 -0.82 -0.29 115.11 120.18 3gdp h GLN 515 Ca 0.14 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3gdp h GLN 515 Cb 0.56 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3gdp h GLN 515 CO 0.03 0.68 -0.12 1.49 -0.67 0.00 0.00 178.83 180.24 3gdp h GLU 516 N 0.33 0.69 -0.48 1.46 4.81 -0.76 -2.01 114.58 118.63 3gdp h GLU 516 Ca 0.04 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.91 3gdp h GLU 516 Cb 0.76 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3gdp h GLU 516 CO 0.06 0.88 -0.02 0.00 -0.73 0.00 0.00 179.01 179.19 3gdp h ARG 517 N 0.48 0.81 -0.49 1.92 2.47 -0.72 -2.15 114.38 116.70 3gdp h ARG 517 Ca 0.08 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 3gdp h ARG 517 Cb 0.64 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 3gdp h ARG 517 CO 0.04 0.83 0.27 0.77 0.56 0.00 0.00 179.97 182.45 3gdp h SER 518 N 0.75 0.61 0.19 7.04 0.02 -0.87 -1.79 113.55 119.51 3gdp h SER 518 Ca 0.14 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 3gdp h SER 518 Cb 0.49 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3gdp h SER 518 CO 0.02 0.52 -0.27 0.00 -1.14 0.00 0.00 176.83 175.97 3gdp h ALA 519 N 1.12 1.42 -0.00 3.77 0.00 -1.12 -2.77 119.26 121.67 3gdp h ALA 519 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gdp h ALA 519 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gdp h ALA 519 CO -0.03 0.41 -0.22 -1.13 0.00 0.00 0.00 179.25 178.29 3gdp n SER 520 N -4.18 0.70 0.00 0.00 3.41 -0.83 -5.11 113.62 107.60 3gdp n SER 520 Ca -0.01 -0.62 0.07 0.00 -0.26 0.00 0.00 58.87 58.05 3gdp n SER 520 Cb 0.35 0.04 0.43 0.00 -0.26 0.00 0.00 64.21 64.77 3gdp n SER 520 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35