#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ite s THR 14 N 0.00 0.12 0.65 6.66 -4.23 -1.26 -5.15 115.64 112.43 3ite s THR 14 Ca 0.00 -1.16 -0.15 0.00 -1.18 0.00 0.00 61.69 59.21 3ite s THR 14 Cb 0.00 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 3ite s THR 14 CO 0.00 -0.54 1.09 0.68 -0.54 0.00 0.00 174.62 175.31 3ite s VAL 15 N -3.88 3.49 0.85 2.29 -7.23 -1.26 -5.03 120.40 109.63 3ite s VAL 15 Ca 0.07 0.66 -0.11 0.00 -1.81 0.00 0.00 61.98 60.79 3ite s VAL 15 Cb 0.04 -3.20 0.10 0.00 0.56 0.00 0.00 36.38 33.88 3ite s VAL 15 CO -0.09 -0.46 1.10 -2.84 -0.31 0.00 0.00 175.10 172.50 3ite s PRO 16 N -4.22 1.68 0.29 4.82 0.02 -1.26 -4.79 135.00 131.54 3ite s PRO 16 Ca 0.65 0.73 0.03 0.00 0.02 0.00 0.00 61.00 62.43 3ite s PRO 16 Cb -0.18 -1.86 0.63 0.00 0.02 0.00 0.00 34.50 33.10 3ite s PRO 16 CO 0.42 -1.92 1.82 -1.35 -0.33 0.00 0.00 177.00 175.63 3ite h PRO 17 N -1.31 0.88 -0.56 5.54 0.11 -1.94 -1.78 132.00 132.94 3ite h PRO 17 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3ite h PRO 17 Cb 1.28 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ite h PRO 17 CO 0.57 0.58 0.00 -1.13 -0.21 0.00 0.00 178.00 177.81 3ite n SER 18 N -4.67 2.38 -0.22 -2.05 3.41 -1.26 -4.46 113.62 106.75 3ite n SER 18 Ca 0.21 -2.19 -0.01 0.00 -0.26 0.00 0.00 58.87 56.61 3ite n SER 18 Cb 0.44 -0.39 0.10 0.00 -0.26 0.00 0.00 64.21 64.09 3ite n SER 18 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3ite h HIS 19 N 1.84 0.62 0.01 7.33 6.17 -1.67 -2.05 115.15 127.39 3ite h HIS 19 Ca 0.00 0.03 -0.20 0.00 0.71 0.00 0.00 60.37 60.91 3ite h HIS 19 Cb 0.77 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 3ite h HIS 19 CO 0.34 0.28 -0.89 1.88 0.71 0.00 0.00 177.93 180.25 3ite h TYR 20 N 0.62 0.28 -0.41 5.26 0.05 -1.83 0.25 116.97 121.19 3ite h TYR 20 Ca 0.30 -0.16 0.06 0.00 0.05 0.00 0.00 58.73 58.98 3ite h TYR 20 Cb 0.22 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 3ite h TYR 20 CO -0.09 0.98 0.09 0.82 -1.05 0.00 0.00 178.16 178.91 3ite h ILE 21 N 0.10 0.80 -0.47 -2.88 2.04 -1.72 -1.04 117.51 114.34 3ite h ILE 21 Ca -0.04 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 3ite h ILE 21 Cb 1.53 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3ite h ILE 21 CO 0.14 0.04 -0.17 -0.33 0.00 0.00 0.00 178.15 177.83 3ite h GLU 22 N 0.23 0.94 0.02 2.37 5.08 -0.99 -1.88 114.58 120.36 3ite h GLU 22 Ca 0.20 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3ite h GLU 22 Cb 0.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3ite h GLU 22 CO -0.25 1.05 -0.01 1.15 -1.00 0.00 0.00 179.01 179.95 3ite h THR 23 N 0.79 1.11 -0.06 1.13 2.02 -0.63 -2.01 112.91 115.25 3ite h THR 23 Ca 0.11 -0.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 3ite h THR 23 Cb 0.73 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3ite h THR 23 CO 0.06 0.10 -0.46 -0.50 0.37 0.00 0.00 175.52 175.09 3ite h TRP 24 N -0.20 0.16 -0.68 3.16 -0.00 -1.25 -1.64 115.95 115.51 3ite h TRP 24 Ca -0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 58.89 58.88 3ite h TRP 24 Cb 0.19 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.16 29.27 3ite h TRP 24 CO -0.02 0.57 0.45 0.00 -0.00 0.00 0.00 178.44 179.44 3ite h ALA 25 N 1.42 1.63 0.00 1.49 0.00 -1.08 0.22 119.26 122.95 3ite h ALA 25 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ite h ALA 25 Cb 0.86 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ite h ALA 25 CO 0.07 0.30 -0.05 0.87 0.00 0.00 0.00 179.25 180.43 3ite h LYS 26 N 0.81 0.03 0.09 0.00 1.57 -0.80 -3.25 116.57 115.02 3ite h LYS 26 Ca 0.27 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.74 3ite h LYS 26 Cb 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3ite h LYS 26 CO -0.08 0.89 -1.36 1.79 -0.57 0.00 0.00 179.45 180.13 3ite h THR 27 N -0.82 1.35 -2.01 -0.16 1.35 -1.20 -3.40 112.91 108.01 3ite h THR 27 Ca -0.01 -2.99 -0.53 0.00 -0.55 0.00 0.00 66.41 62.34 3ite h THR 27 Cb 0.91 2.81 -0.40 0.00 -1.73 0.00 0.00 68.15 69.75 3ite h THR 27 CO 0.01 0.85 -1.12 1.41 -0.25 0.00 0.00 175.52 176.42 3ite n HIS 28 N -3.43 0.12 0.32 4.73 8.25 0.77 -4.99 115.22 120.99 3ite n HIS 28 Ca -0.11 -3.70 0.19 0.00 -0.26 0.00 0.00 57.72 53.84 3ite n HIS 28 Cb 1.02 -0.39 1.05 0.00 1.12 0.00 0.00 29.99 32.79 3ite n HIS 28 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ite h PRO 29 N 3.54 0.00 0.00 -0.41 0.13 -1.57 -2.16 132.00 131.53 3ite h PRO 29 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ite h PRO 29 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3ite h PRO 29 CO 0.50 0.01 -0.67 -0.85 -0.23 0.00 0.00 178.00 176.77 3ite n GLU 30 N -3.36 0.23 -1.53 0.86 0.00 -1.26 -2.52 120.64 113.06 3ite n GLU 30 Ca -0.03 0.05 -0.41 0.00 0.00 0.00 0.00 57.16 56.78 3ite n GLU 30 Cb 0.11 -1.63 0.01 0.00 0.00 0.00 0.00 31.44 29.93 3ite n GLU 30 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3ite n TRP 31 N -1.95 0.26 -2.77 -1.84 7.02 -0.81 -4.79 117.44 112.56 3ite n TRP 31 Ca 0.03 0.57 -0.41 0.00 -1.02 0.00 0.00 57.50 56.67 3ite n TRP 31 Cb 0.42 -2.09 -0.04 0.00 -2.42 0.00 0.00 31.31 27.17 3ite n TRP 31 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3ite s LYS 32 N -1.87 4.63 -0.14 -0.99 -0.14 -1.26 -1.32 119.74 118.64 3ite s LYS 32 Ca 0.65 1.38 0.05 0.00 -1.36 0.00 0.00 55.97 56.69 3ite s LYS 32 Cb -0.56 -3.40 -0.12 0.00 -1.68 0.00 0.00 37.83 32.07 3ite s LYS 32 CO 0.56 0.15 -0.06 0.00 -0.76 0.00 0.00 175.35 175.25 3ite n ALA 33 N 3.09 1.68 -3.09 5.17 0.00 -0.15 -3.27 120.51 123.93 3ite n ALA 33 Ca 0.03 -0.73 -0.11 0.00 0.00 0.00 0.00 53.44 52.62 3ite n ALA 33 Cb 0.50 0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 3ite n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ite s VAL 34 N -2.31 0.06 -0.10 0.00 -7.23 -1.14 -0.60 120.40 109.09 3ite s VAL 34 Ca -0.15 -0.52 -0.09 0.00 -1.81 0.00 0.00 61.98 59.41 3ite s VAL 34 Cb 0.05 -0.39 0.03 0.00 0.56 0.00 0.00 36.38 36.62 3ite s VAL 34 CO 0.42 -0.29 0.26 -0.70 -0.31 0.00 0.00 175.10 174.49 3ite s GLU 35 N -1.03 0.30 -0.06 4.82 2.12 -0.02 -0.98 118.70 123.85 3ite s GLU 35 Ca -0.11 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.61 3ite s GLU 35 Cb -0.06 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.48 3ite s GLU 35 CO 0.01 -0.04 -0.14 0.14 -0.54 0.00 0.00 175.26 174.70 3ite s VAL 36 N 0.16 1.21 -0.22 3.70 -7.23 -0.26 -1.80 120.40 115.95 3ite s VAL 36 Ca -0.00 -0.55 -0.09 0.00 -1.81 0.00 0.00 61.98 59.53 3ite s VAL 36 Cb -0.02 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 3ite s VAL 36 CO 0.00 0.37 0.10 0.00 -0.31 0.00 0.00 175.10 175.26 3ite s ALA 37 N 0.42 3.41 0.44 1.32 0.00 0.57 -1.86 121.76 126.07 3ite s ALA 37 Ca -0.11 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3ite s ALA 37 Cb -0.14 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.88 3ite s ALA 37 CO 0.03 -0.17 0.27 2.41 0.00 0.00 0.00 175.76 178.30 3ite n THR 38 N 4.25 0.00 0.00 0.00 -1.04 0.44 -4.45 114.28 113.48 3ite n THR 38 Ca -0.16 -1.80 0.00 0.00 -2.04 0.00 0.00 64.05 60.06 3ite n THR 38 Cb 0.52 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3ite n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ite n GLY 39 N -0.27 1.20 2.58 3.41 0.00 -1.26 -0.45 105.19 110.40 3ite n GLY 39 Ca -0.05 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 3ite n GLY 39 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ite n PHE 40 N 0.00 -1.64 -3.65 1.61 3.72 -1.26 -4.98 117.46 111.26 3ite n PHE 40 Ca 0.00 0.59 -0.18 0.00 -0.05 0.00 0.00 57.45 57.80 3ite n PHE 40 Cb 0.00 -3.44 -0.16 0.00 -0.94 0.00 0.00 39.48 34.94 3ite n PHE 40 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3ite s ILE 46 N -3.19 -0.23 0.06 4.37 1.01 -1.26 -5.13 121.20 116.83 3ite s ILE 46 Ca 0.22 0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.98 3ite s ILE 46 Cb -0.03 -0.33 -0.06 0.00 0.01 0.00 0.00 42.46 42.04 3ite s ILE 46 CO 0.47 0.08 0.53 -0.69 0.00 0.00 0.00 174.94 175.33 3ite s VAL 47 N 2.27 4.83 0.07 2.92 1.01 0.41 -4.92 120.40 126.99 3ite s VAL 47 Ca 0.04 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.11 3ite s VAL 47 Cb -0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3ite s VAL 47 CO -0.06 0.52 -0.07 0.42 0.00 0.00 0.00 175.10 175.91 3ite s THR 48 N -1.15 0.61 0.06 3.92 -4.23 -1.26 0.17 115.64 113.75 3ite s THR 48 Ca 0.29 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3ite s THR 48 Cb -0.18 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 3ite s THR 48 CO 0.18 -0.70 -0.10 -1.83 -0.54 0.00 0.00 174.62 171.62 3ite s GLU 49 N -3.01 0.68 0.18 3.99 -1.05 -0.77 -4.97 118.70 113.74 3ite s GLU 49 Ca 0.03 -0.90 -0.06 0.00 -0.15 0.00 0.00 54.97 53.89 3ite s GLU 49 Cb -0.00 -0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 33.18 3ite s GLU 49 CO -0.03 0.09 0.24 0.16 0.95 0.00 0.00 175.26 176.67 3ite s ASP 50 N -1.83 0.09 0.03 0.83 1.47 -1.26 -1.10 116.67 114.90 3ite s ASP 50 Ca -0.04 -1.05 0.07 0.00 1.18 0.00 0.00 52.55 52.71 3ite s ASP 50 Cb -0.08 0.42 -0.02 0.00 -0.34 0.00 0.00 42.92 42.90 3ite s ASP 50 CO 0.01 -0.89 -0.20 0.26 0.68 0.00 0.00 175.17 175.02 3ite s TRP 51 N -4.03 1.79 0.92 2.11 0.51 -0.16 -4.99 118.94 115.10 3ite s TRP 51 Ca 0.24 -0.37 -0.11 0.00 -2.12 0.00 0.00 56.10 53.74 3ite s TRP 51 Cb 0.04 -1.08 0.15 0.00 -0.81 0.00 0.00 33.47 31.77 3ite s TRP 51 CO 0.04 0.07 1.10 0.95 -0.51 0.00 0.00 176.95 178.60 3ite s THR 52 N -0.75 2.46 0.29 2.01 -4.23 -1.26 -0.98 115.64 113.18 3ite s THR 52 Ca 0.07 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.76 3ite s THR 52 Cb -0.09 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.66 3ite s THR 52 CO 0.01 -0.20 1.82 1.88 -0.54 0.00 0.00 174.62 177.60 3ite h TYR 53 N -1.77 1.12 -0.11 3.99 0.05 -1.24 0.47 116.97 119.48 3ite h TYR 53 Ca -0.48 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.32 3ite h TYR 53 Cb 1.27 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.66 3ite h TYR 53 CO 0.46 0.39 0.02 -0.22 -1.05 0.00 0.00 178.16 177.77 3ite h LYS 54 N 0.93 0.17 -0.32 4.88 3.64 -1.76 -0.01 116.57 124.09 3ite h LYS 54 Ca 0.52 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 3ite h LYS 54 Cb 0.60 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3ite h LYS 54 CO -0.30 0.35 0.15 -0.22 -2.27 0.00 0.00 179.45 177.16 3ite h LYS 55 N -0.04 0.47 -0.41 1.90 1.63 -1.78 -0.75 116.57 117.59 3ite h LYS 55 Ca 0.03 -0.08 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3ite h LYS 55 Cb 0.26 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 3ite h LYS 55 CO 0.00 0.45 0.21 1.25 -3.45 0.00 0.00 179.45 177.92 3ite h LEU 56 N 0.38 0.32 -0.20 5.20 5.85 -0.72 -1.44 115.31 124.70 3ite h LEU 56 Ca 0.11 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3ite h LEU 56 Cb 0.14 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3ite h LEU 56 CO -0.01 0.23 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.13 3ite h ASN 57 N 0.43 0.39 -0.72 1.25 -1.24 -0.89 -1.07 115.58 113.74 3ite h ASN 57 Ca 0.17 -0.37 0.06 0.00 0.71 0.00 0.00 56.30 56.87 3ite h ASN 57 Cb 0.07 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 38.95 3ite h ASN 57 CO -0.11 0.68 0.42 -0.33 -1.29 0.00 0.00 177.43 176.79 3ite h GLU 58 N 0.10 0.75 -0.31 6.67 5.08 -1.00 -1.65 114.58 124.22 3ite h GLU 58 Ca 0.05 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3ite h GLU 58 Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3ite h GLU 58 CO 0.02 0.49 -0.42 1.15 -1.00 0.00 0.00 179.01 179.25 3ite h THR 59 N 0.77 1.29 -0.69 1.13 2.02 -1.05 -1.41 112.91 114.96 3ite h THR 59 Ca 0.32 -1.60 -0.07 0.00 0.77 0.00 0.00 66.41 65.82 3ite h THR 59 Cb 0.18 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3ite h THR 59 CO -0.18 0.52 0.14 0.00 0.37 0.00 0.00 175.52 176.37 3ite h ALA 60 N 0.91 0.94 -0.86 6.16 0.00 -0.93 -0.14 119.26 125.35 3ite h ALA 60 Ca 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3ite h ALA 60 Cb 0.98 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3ite h ALA 60 CO 0.09 0.67 0.46 -0.91 0.00 0.00 0.00 179.25 179.56 3ite h ASN 61 N 1.06 1.08 -0.71 0.00 2.35 -1.12 0.41 115.58 118.64 3ite h ASN 61 Ca 0.21 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3ite h ASN 61 Cb 0.41 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 3ite h ASN 61 CO 0.01 0.87 0.32 1.56 -1.65 0.00 0.00 177.43 178.54 3ite h GLN 62 N 1.20 1.03 -0.56 0.81 4.20 -0.41 -0.40 115.11 120.99 3ite h GLN 62 Ca 0.30 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3ite h GLN 62 Cb 0.04 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3ite h GLN 62 CO -0.05 0.83 0.29 0.28 -0.67 0.00 0.00 178.83 179.51 3ite h VAL 63 N 0.99 1.20 -0.70 -0.54 2.07 -0.79 -0.85 116.25 117.63 3ite h VAL 63 Ca 0.24 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3ite h VAL 63 Cb 0.15 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3ite h VAL 63 CO -0.03 0.22 0.34 0.00 0.02 0.00 0.00 177.57 178.12 3ite h ALA 64 N 1.12 0.91 -0.26 1.67 0.00 -0.48 -1.48 119.26 120.74 3ite h ALA 64 Ca 0.19 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3ite h ALA 64 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ite h ALA 64 CO -0.03 0.47 -0.33 -0.91 0.00 0.00 0.00 179.25 178.45 3ite h ASN 65 N 0.98 0.56 -0.42 0.00 2.35 -0.77 0.45 115.58 118.74 3ite h ASN 65 Ca 0.24 -0.22 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3ite h ASN 65 Cb 0.12 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.28 3ite h ASN 65 CO -0.03 0.86 0.09 0.25 -1.65 0.00 0.00 177.43 176.95 3ite h LEU 66 N 0.46 0.02 -0.55 1.61 5.85 -0.54 -0.41 115.31 121.75 3ite h LEU 66 Ca 0.05 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3ite h LEU 66 Cb 0.80 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3ite h LEU 66 CO 0.07 0.05 -0.05 0.40 -0.34 0.00 0.00 178.44 178.56 3ite h ILE 67 N 0.22 1.27 -0.41 4.05 2.04 -0.55 -2.46 117.51 121.67 3ite h ILE 67 Ca 0.20 -1.19 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 3ite h ILE 67 Cb 0.25 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3ite h ILE 67 CO -0.26 0.42 -0.12 0.40 0.00 0.00 0.00 178.15 178.59 3ite h ILE 68 N 0.89 1.25 0.00 -0.67 2.04 -0.79 -2.31 117.51 117.92 3ite h ILE 68 Ca 0.15 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 3ite h ILE 68 Cb 0.60 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3ite h ILE 68 CO 0.04 0.39 -0.22 0.45 0.00 0.00 0.00 178.15 178.81 3ite h HIS 69 N 0.66 0.00 0.00 1.37 3.86 -0.63 0.12 115.15 120.53 3ite h HIS 69 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3ite h HIS 69 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3ite h HIS 69 CO 0.03 0.22 0.00 0.00 0.86 0.00 0.00 177.93 179.04 3ite n ALA 70 N -2.46 2.47 -3.22 2.45 0.00 -0.88 -4.92 120.51 113.96 3ite n ALA 70 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 3ite n ALA 70 Cb 0.29 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.76 3ite n ALA 70 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ite n SER 71 N -0.41 -5.03 -4.72 0.00 7.64 0.41 -4.98 113.62 106.54 3ite n SER 71 Ca 0.00 -0.35 -0.36 0.00 1.01 0.00 0.00 58.87 59.17 3ite n SER 71 Cb 0.04 -4.09 -0.08 0.00 -1.01 0.00 0.00 64.21 59.07 3ite n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ite s LEU 72 N -6.64 4.21 -0.05 -3.43 1.43 -1.17 -5.07 118.68 107.97 3ite s LEU 72 Ca 0.37 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 3ite s LEU 72 Cb -0.18 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.85 3ite s LEU 72 CO 0.45 0.12 0.02 -1.00 0.23 0.00 0.00 176.35 176.17 3ite s HIS 73 N 0.55 0.35 -1.11 0.29 3.76 -1.26 -4.73 115.29 113.14 3ite s HIS 73 Ca 0.12 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 3ite s HIS 73 Cb -0.12 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 33.01 3ite s HIS 73 CO 0.02 -0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.10 3ite n GLY 74 N 4.82 0.85 3.90 -2.22 0.00 -0.33 -5.00 105.19 107.21 3ite n GLY 74 Ca -0.13 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 3ite n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ite s ARG 75 N -3.42 3.26 -0.07 1.61 1.81 -1.26 -4.79 118.95 116.10 3ite s ARG 75 Ca 0.00 -0.71 -0.30 0.00 -1.72 0.00 0.00 55.73 53.00 3ite s ARG 75 Cb 0.00 -2.85 -0.02 0.00 -0.45 0.00 0.00 34.95 31.63 3ite s ARG 75 CO 0.00 0.49 1.09 0.00 -0.68 0.00 0.00 175.30 176.21 3ite s ALA 76 N -1.79 3.41 -0.22 2.13 0.00 -1.26 -0.13 121.76 123.90 3ite s ALA 76 Ca 0.33 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.83 3ite s ALA 76 Cb -0.10 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.60 3ite s ALA 76 CO 0.27 -0.62 -0.13 0.42 0.00 0.00 0.00 175.76 175.70 3ite s ILE 77 N 1.93 1.98 0.28 0.00 -1.09 0.23 -0.48 121.20 124.06 3ite s ILE 77 Ca 0.52 -1.28 -0.09 0.00 -2.23 0.00 0.00 60.65 57.57 3ite s ILE 77 Cb -0.22 -2.01 -0.07 0.00 -1.58 0.00 0.00 42.46 38.59 3ite s ILE 77 CO 0.21 0.17 0.61 0.00 -1.23 0.00 0.00 174.94 174.70 3ite s ALA 78 N 1.24 3.51 -0.06 9.38 0.00 -1.26 -1.67 121.76 132.90 3ite s ALA 78 Ca -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 3ite s ALA 78 Cb -0.17 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.49 3ite s ALA 78 CO -0.08 0.33 0.03 0.08 0.00 0.00 0.00 175.76 176.13 3ite s VAL 79 N -2.00 0.15 -0.46 0.00 1.01 -0.59 -0.78 120.40 117.72 3ite s VAL 79 Ca 0.48 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.75 3ite s VAL 79 Cb -0.11 -0.36 0.16 0.00 0.00 0.00 0.00 36.38 36.07 3ite s VAL 79 CO 0.25 0.21 0.32 -0.55 0.00 0.00 0.00 175.10 175.33 3ite s SER 80 N 2.06 2.87 0.31 3.32 0.15 -0.34 -0.64 113.70 121.44 3ite s SER 80 Ca 0.05 -2.96 0.06 0.00 0.70 0.00 0.00 55.95 53.79 3ite s SER 80 Cb -0.12 -0.81 -0.06 0.00 -1.71 0.00 0.00 66.02 63.32 3ite s SER 80 CO -0.04 -0.20 -0.01 -0.76 1.20 0.00 0.00 173.24 173.43 3ite s LEU 81 N 0.01 2.43 0.00 3.45 1.43 -1.26 -3.40 118.68 121.33 3ite s LEU 81 Ca 0.25 -1.27 -0.19 0.00 -1.03 0.00 0.00 54.13 51.89 3ite s LEU 81 Cb -0.09 -0.58 0.28 0.00 0.03 0.00 0.00 46.19 45.82 3ite s LEU 81 CO -0.11 -0.44 1.15 -0.90 0.23 0.00 0.00 176.35 176.28 3ite n ASP 82 N -0.66 -1.37 -4.46 2.29 5.75 -1.26 -4.70 116.55 112.14 3ite n ASP 82 Ca -0.04 -1.26 -0.44 0.00 -0.01 0.00 0.00 54.79 53.04 3ite n ASP 82 Cb 0.65 -0.99 -0.01 0.00 -1.03 0.00 0.00 41.12 39.73 3ite n ASP 82 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3ite s ARG 83 N -5.58 3.87 0.36 0.11 0.52 -1.26 -4.82 118.95 112.15 3ite s ARG 83 Ca 0.71 -2.19 0.08 0.00 -0.52 0.00 0.00 55.73 53.81 3ite s ARG 83 Cb -0.05 -5.02 -0.07 0.00 0.52 0.00 0.00 34.95 30.32 3ite s ARG 83 CO 0.53 -1.79 -0.05 -1.54 0.02 0.00 0.00 175.30 172.46 3ite s SER 84 N 3.25 3.69 0.16 0.23 1.04 -1.26 -4.80 113.70 116.01 3ite s SER 84 Ca 0.39 -1.26 -0.13 0.00 0.48 0.00 0.00 55.95 55.43 3ite s SER 84 Cb -0.03 -0.35 0.05 0.00 0.10 0.00 0.00 66.02 65.79 3ite s SER 84 CO -0.04 -0.31 1.69 -0.07 0.98 0.00 0.00 173.24 175.49 3ite h LEU 85 N 1.95 0.78 -1.60 2.42 3.38 -1.95 -2.99 115.31 117.30 3ite h LEU 85 Ca -0.43 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.30 3ite h LEU 85 Cb 1.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3ite h LEU 85 CO 0.74 0.77 -0.21 -0.29 0.09 0.00 0.00 178.44 179.54 3ite h ILE 86 N 0.74 1.09 -0.58 1.22 2.10 -1.97 -2.09 117.51 118.02 3ite h ILE 86 Ca 0.18 -0.74 0.10 0.00 1.08 0.00 0.00 64.86 65.48 3ite h ILE 86 Cb 0.26 1.40 -0.08 0.00 -1.09 0.00 0.00 36.82 37.32 3ite h ILE 86 CO -0.01 0.21 0.17 0.00 -1.08 0.00 0.00 178.15 177.44 3ite h ALA 87 N 1.79 0.71 -0.67 0.18 0.00 -1.84 0.18 119.26 119.61 3ite h ALA 87 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ite h ALA 87 Cb 0.39 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3ite h ALA 87 CO 0.03 -0.26 0.34 0.74 0.00 0.00 0.00 179.25 180.10 3ite h PHE 88 N 0.32 0.94 -0.13 0.00 0.04 -1.46 -1.51 116.94 115.13 3ite h PHE 88 Ca 0.30 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.96 3ite h PHE 88 Cb 0.40 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3ite h PHE 88 CO -0.21 0.69 -0.25 0.00 -0.60 0.00 0.00 178.31 177.94 3ite h ALA 89 N 1.16 1.33 -0.18 2.45 0.00 -0.98 -2.40 119.26 120.66 3ite h ALA 89 Ca 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ite h ALA 89 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ite h ALA 89 CO -0.03 0.46 -0.09 0.82 0.00 0.00 0.00 179.25 180.41 3ite h ILE 90 N 0.21 1.31 -0.34 0.00 2.04 -0.31 0.11 117.51 120.54 3ite h ILE 90 Ca 0.03 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 64.82 3ite h ILE 90 Cb 0.57 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 3ite h ILE 90 CO 0.04 0.34 -0.03 0.40 0.00 0.00 0.00 178.15 178.90 3ite h ILE 91 N 0.06 0.71 -0.45 -0.67 2.04 -1.12 0.58 117.51 118.66 3ite h ILE 91 Ca 0.04 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 3ite h ILE 91 Cb 0.57 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3ite h ILE 91 CO 0.03 0.01 -0.08 0.58 0.00 0.00 0.00 178.15 178.69 3ite h VAL 92 N 0.06 1.27 -0.90 1.67 2.07 -1.31 -2.79 116.25 116.31 3ite h VAL 92 Ca 0.17 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.58 3ite h VAL 92 Cb 0.24 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3ite h VAL 92 CO -0.31 0.41 0.56 1.23 0.02 0.00 0.00 177.57 179.48 3ite h GLY 93 N 0.68 1.38 -0.98 2.17 0.00 -0.32 0.17 103.07 106.17 3ite h GLY 93 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3ite h GLY 93 CO 0.04 0.24 0.00 1.39 0.00 0.00 0.00 176.54 178.21 3ite n ILE 94 N -4.62 0.00 0.00 2.60 5.41 0.15 -0.90 119.36 122.00 3ite n ILE 94 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 3ite n ILE 94 Cb 0.22 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 3ite n ILE 94 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3ite n LYS 96 N 0.44 0.00 0.00 0.38 5.02 0.60 -2.15 118.16 122.44 3ite n LYS 96 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3ite n LYS 96 Cb 0.02 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 35.74 3ite n LYS 96 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3ite n SER 97 N 0.00 0.78 -1.65 4.39 3.41 -0.08 -4.88 113.62 115.59 3ite n SER 97 Ca 0.00 -1.20 -0.09 0.00 -0.26 0.00 0.00 58.87 57.31 3ite n SER 97 Cb 0.00 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3ite n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ite n GLY 98 N 1.11 0.35 3.38 5.00 0.00 -1.16 -4.78 105.19 109.09 3ite n GLY 98 Ca 0.21 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 3ite n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ite n ASN 99 N -0.21 2.30 -4.43 1.61 3.02 -0.92 -1.18 115.26 115.45 3ite n ASN 99 Ca -0.00 -3.13 -0.34 0.00 -0.03 0.00 0.00 54.58 51.08 3ite n ASN 99 Cb 0.53 0.67 -0.13 0.00 -0.61 0.00 0.00 39.78 40.24 3ite n ASN 99 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ite s THR 100 N -2.90 3.64 -0.01 3.41 2.01 0.82 -4.65 115.64 117.95 3ite s THR 100 Ca 0.10 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 3ite s THR 100 Cb 0.00 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 3ite s THR 100 CO 0.07 0.48 0.96 -0.47 -0.69 0.00 0.00 174.62 174.97 3ite s TYR 101 N 0.64 3.65 -0.46 4.92 5.04 -0.16 -0.60 117.35 130.37 3ite s TYR 101 Ca -0.03 1.66 0.03 0.00 -2.44 0.00 0.00 57.07 56.29 3ite s TYR 101 Cb -0.15 -3.10 0.14 0.00 0.35 0.00 0.00 41.96 39.20 3ite s TYR 101 CO 0.02 -0.01 0.25 0.08 -1.34 0.00 0.00 175.55 174.56 3ite s VAL 102 N 1.02 1.61 0.29 3.14 1.01 -0.67 -1.02 120.40 125.79 3ite s VAL 102 Ca 0.51 -2.73 -0.29 0.00 0.00 0.00 0.00 61.98 59.47 3ite s VAL 102 Cb -0.21 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.95 3ite s VAL 102 CO 0.27 -0.89 1.44 -2.16 0.00 0.00 0.00 175.10 173.76 3ite s PRO 103 N 0.19 4.24 -0.20 2.72 0.04 -1.26 -1.55 135.00 139.19 3ite s PRO 103 Ca 0.18 2.36 -0.03 0.00 0.04 0.00 0.00 61.00 63.55 3ite s PRO 103 Cb -0.23 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.30 3ite s PRO 103 CO -0.01 -0.41 0.04 0.42 0.04 0.00 0.00 177.00 177.08 3ite s ILE 104 N -0.43 0.52 0.21 0.56 1.01 0.19 -4.85 121.20 118.40 3ite s ILE 104 Ca 0.56 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 3ite s ILE 104 Cb -0.43 -1.04 -0.11 0.00 0.01 0.00 0.00 42.46 40.89 3ite s ILE 104 CO 0.49 -0.23 1.64 -0.70 0.00 0.00 0.00 174.94 176.15 3ite s GLU 105 N 1.86 4.16 0.43 2.79 2.12 -1.26 -4.09 118.70 124.70 3ite s GLU 105 Ca -0.01 2.51 0.16 0.00 0.36 0.00 0.00 54.97 58.00 3ite s GLU 105 Cb -0.17 -3.09 0.95 0.00 0.26 0.00 0.00 34.13 32.08 3ite s GLU 105 CO -0.09 -0.67 1.93 0.00 -0.54 0.00 0.00 175.26 175.89 3ite h ALA 106 N 6.42 1.45 0.00 6.30 0.00 -1.90 -2.10 119.26 129.44 3ite h ALA 106 Ca -0.44 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3ite h ALA 106 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ite h ALA 106 CO 0.91 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.89 3ite n GLY 107 N -0.66 -1.18 3.71 0.00 0.00 -1.26 -4.90 105.19 100.89 3ite n GLY 107 Ca -0.02 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 3ite n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ite n LEU 108 N -1.24 4.83 -4.64 0.99 4.77 -0.79 -4.95 117.00 115.98 3ite n LEU 108 Ca 0.15 0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 56.71 3ite n LEU 108 Cb 0.21 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 39.81 3ite n LEU 108 CO 0.21 -0.85 0.65 -2.65 -1.33 0.00 0.00 177.39 173.41 3ite n PRO 109 N -0.78 1.29 -0.32 3.23 -0.02 -1.26 -4.77 135.00 132.36 3ite n PRO 109 Ca 0.10 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 3ite n PRO 109 Cb 0.44 -2.20 0.33 0.00 -0.02 0.00 0.00 33.50 32.06 3ite n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ite h ASN 110 N 1.18 0.75 -0.37 2.55 4.21 -1.92 -1.27 115.58 120.71 3ite h ASN 110 Ca -0.47 0.06 -0.07 0.00 1.21 0.00 0.00 56.30 57.03 3ite h ASN 110 Cb 1.34 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 38.44 3ite h ASN 110 CO 0.55 0.34 0.00 0.44 -1.29 0.00 0.00 177.43 177.47 3ite h ASP 111 N 0.78 0.72 0.72 5.81 5.19 -1.91 -1.17 116.42 126.56 3ite h ASP 111 Ca 0.51 -0.17 -0.22 0.00 -0.62 0.00 0.00 57.03 56.54 3ite h ASP 111 Cb 0.77 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 3ite h ASP 111 CO -0.28 0.79 -0.99 0.03 -3.12 0.00 0.00 179.24 175.67 3ite h ARG 112 N 0.71 0.15 -0.47 3.56 3.08 -1.61 -1.67 114.38 118.12 3ite h ARG 112 Ca 0.14 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3ite h ARG 112 Cb 0.43 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3ite h ARG 112 CO 0.02 1.02 0.28 0.87 -1.07 0.00 0.00 179.97 181.08 3ite h LYS 113 N 0.06 0.65 -0.14 0.04 1.57 -1.20 -2.59 116.57 114.96 3ite h LYS 113 Ca -0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3ite h LYS 113 Cb 1.68 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 3ite h LYS 113 CO 0.15 0.49 0.09 0.77 -0.57 0.00 0.00 179.45 180.38 3ite h SER 114 N 0.63 0.15 -0.77 0.86 0.02 -1.00 -1.91 113.55 111.53 3ite h SER 114 Ca 0.17 -0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.25 3ite h SER 114 Cb 0.02 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.43 3ite h SER 114 CO -0.03 0.11 0.34 0.15 -1.14 0.00 0.00 176.83 176.26 3ite h PHE 115 N 0.18 0.58 -0.44 3.45 3.57 -1.29 -1.73 116.94 121.26 3ite h PHE 115 Ca 0.05 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3ite h PHE 115 Cb -0.02 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3ite h PHE 115 CO -0.07 0.11 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.93 3ite h LEU 116 N 0.50 0.87 -0.63 0.59 3.38 -0.96 0.22 115.31 119.27 3ite h LEU 116 Ca 0.42 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3ite h LEU 116 Cb 0.60 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3ite h LEU 116 CO -0.38 1.03 0.34 -0.07 0.09 0.00 0.00 178.44 179.46 3ite h LEU 117 N 0.69 0.51 -0.01 1.67 3.38 -1.19 -1.25 115.31 119.11 3ite h LEU 117 Ca 0.11 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ite h LEU 117 Cb 0.66 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3ite h LEU 117 CO 0.05 0.33 -0.10 -0.09 0.09 0.00 0.00 178.44 178.72 3ite h ARG 118 N 0.64 0.09 -0.89 1.13 2.43 -1.08 -1.92 114.38 114.79 3ite h ARG 118 Ca 0.28 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3ite h ARG 118 Cb 0.17 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3ite h ARG 118 CO -0.17 0.78 0.49 0.22 -1.51 0.00 0.00 179.97 179.77 3ite h ASP 119 N -0.57 1.11 1.79 -3.80 3.58 -0.55 -2.54 116.42 115.43 3ite h ASP 119 Ca -0.01 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.34 3ite h ASP 119 Cb 0.80 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3ite h ASP 119 CO 0.02 0.89 0.00 0.77 -2.88 0.00 0.00 179.24 178.04 3ite h SER 120 N 1.24 0.00 -4.81 2.28 4.64 -1.26 -3.47 113.55 112.18 3ite h SER 120 Ca 0.31 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.34 3ite h SER 120 Cb 0.02 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.23 3ite h SER 120 CO -0.05 0.00 -0.55 0.54 -0.87 0.00 0.00 176.83 175.90 3ite n ARG 121 N -2.78 -5.95 -1.68 4.77 3.00 -0.76 -4.64 116.66 108.61 3ite n ARG 121 Ca 0.05 0.65 -0.52 0.00 -0.01 0.00 0.00 57.85 58.02 3ite n ARG 121 Cb 0.49 -5.15 -0.06 0.00 0.00 0.00 0.00 32.46 27.74 3ite n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ite n ALA 122 N -4.18 0.23 1.51 7.54 0.00 -0.94 -4.49 120.51 120.17 3ite n ALA 122 Ca -0.06 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.88 3ite n ALA 122 Cb 0.57 -2.31 0.53 0.00 0.00 0.00 0.00 19.45 18.24 3ite n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ite n ALA 123 N 5.16 2.57 -3.64 0.00 0.00 0.37 -3.73 120.51 121.24 3ite n ALA 123 Ca 0.23 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 3ite n ALA 123 Cb 0.21 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 3ite n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ite s ALA 125 N -1.93 -1.98 -0.22 0.00 0.00 0.01 -2.10 121.76 115.56 3ite s ALA 125 Ca 0.36 2.06 -0.08 0.00 0.00 0.00 0.00 51.96 54.30 3ite s ALA 125 Cb 0.19 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 3ite s ALA 125 CO 0.30 -0.30 0.09 -0.06 0.00 0.00 0.00 175.76 175.79 3ite s PHE 126 N 0.69 3.21 0.18 0.00 0.08 0.04 -0.46 117.98 121.72 3ite s PHE 126 Ca -0.02 -0.03 -0.02 0.00 0.12 0.00 0.00 56.93 56.98 3ite s PHE 126 Cb -0.05 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3ite s PHE 126 CO -0.08 -0.03 0.13 0.14 -0.10 0.00 0.00 175.22 175.28 3ite s VAL 127 N 0.94 0.04 0.31 -0.44 -7.23 0.06 -1.20 120.40 112.87 3ite s VAL 127 Ca 0.05 -1.91 -0.14 0.00 -1.81 0.00 0.00 61.98 58.17 3ite s VAL 127 Cb -0.14 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.52 3ite s VAL 127 CO 0.03 -0.17 0.61 0.00 -0.31 0.00 0.00 175.10 175.26 3ite n ASP 129 N -0.84 -5.66 -2.57 0.00 8.00 -1.26 -1.20 116.55 113.02 3ite n ASP 129 Ca -0.03 -0.44 -0.11 0.00 0.71 0.00 0.00 54.79 54.92 3ite n ASP 129 Cb 0.61 -4.54 -0.00 0.00 -0.02 0.00 0.00 41.12 37.16 3ite n ASP 129 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ite n ASN 130 N -2.67 -3.20 0.31 -2.24 4.13 -1.26 -4.79 115.26 105.55 3ite n ASN 130 Ca -0.04 0.19 0.19 0.00 1.68 0.00 0.00 54.58 56.60 3ite n ASN 130 Cb 0.58 -2.75 1.03 0.00 -1.54 0.00 0.00 39.78 37.10 3ite n ASN 130 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 3ite h ASN 131 N -0.11 0.00 -0.07 6.41 2.35 -1.48 -2.35 115.58 120.34 3ite h ASN 131 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3ite h ASN 131 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3ite h ASN 131 CO 0.29 0.02 0.00 0.49 -1.65 0.00 0.00 177.43 176.57 3ite n PHE 132 N -3.41 0.06 -1.61 1.19 3.01 -1.26 -4.91 117.46 110.53 3ite n PHE 132 Ca -0.03 -0.05 -0.46 0.00 1.01 0.00 0.00 57.45 57.92 3ite n PHE 132 Cb 0.11 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.53 3ite n PHE 132 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3ite n ASP 133 N 0.87 3.29 0.00 4.37 9.92 -0.89 -0.88 116.55 133.24 3ite n ASP 133 Ca 0.10 0.65 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 3ite n ASP 133 Cb 0.40 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 3ite n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ite n GLY 134 N 5.19 0.76 3.78 0.44 0.00 -1.26 -4.98 105.19 109.12 3ite n GLY 134 Ca 0.28 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 3ite n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ite s VAL 135 N -2.00 5.25 -0.27 1.61 1.01 -0.05 -4.82 120.40 121.13 3ite s VAL 135 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 3ite s VAL 135 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3ite s VAL 135 CO 0.00 0.47 1.17 -1.61 0.00 0.00 0.00 175.10 175.13 3ite s GLU 136 N -0.19 4.09 0.04 2.72 8.01 -1.26 -5.02 118.70 127.09 3ite s GLU 136 Ca 0.19 1.29 -0.23 0.00 0.01 0.00 0.00 54.97 56.23 3ite s GLU 136 Cb -0.14 -3.77 -0.06 0.00 -4.31 0.00 0.00 34.13 25.86 3ite s GLU 136 CO 0.07 -0.88 0.69 -0.51 0.01 0.00 0.00 175.26 174.65 3ite s LEU 137 N 3.74 4.46 0.60 1.80 1.43 -1.26 -4.66 118.68 124.80 3ite s LEU 137 Ca 0.50 1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 54.77 3ite s LEU 137 Cb -0.16 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3ite s LEU 137 CO 0.16 0.09 1.27 -2.84 0.23 0.00 0.00 176.35 175.26 3ite s PRO 138 N -0.32 2.86 0.50 1.29 0.02 -1.26 -4.87 135.00 133.22 3ite s PRO 138 Ca 0.35 2.00 0.16 0.00 0.02 0.00 0.00 61.00 63.52 3ite s PRO 138 Cb -0.20 -1.97 1.19 0.00 0.02 0.00 0.00 34.50 33.54 3ite s PRO 138 CO 0.21 -1.34 2.10 -1.35 -0.33 0.00 0.00 177.00 176.29 3ite h PRO 139 N 0.90 0.00 0.00 5.54 0.11 -1.96 -1.59 132.00 135.00 3ite h PRO 139 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ite h PRO 139 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ite h PRO 139 CO 0.55 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 3ite n GLU 140 N -4.46 0.12 -2.80 1.05 0.00 -1.26 -4.75 120.64 108.53 3ite n GLU 140 Ca -0.03 0.36 -0.43 0.00 0.00 0.00 0.00 57.16 57.06 3ite n GLU 140 Cb 0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 31.44 29.81 3ite n GLU 140 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3ite s THR 141 N -3.20 4.56 -0.32 3.84 2.01 -0.60 -4.52 115.64 117.41 3ite s THR 141 Ca 0.05 1.13 -0.23 0.00 0.31 0.00 0.00 61.69 62.96 3ite s THR 141 Cb 0.09 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 68.25 3ite s THR 141 CO 0.34 -0.59 0.75 -0.75 -0.69 0.00 0.00 174.62 173.68 3ite s LYS 142 N 3.54 3.89 -0.25 4.92 2.47 -0.89 -4.90 119.74 128.51 3ite s LYS 142 Ca 0.38 0.44 -0.10 0.00 -1.56 0.00 0.00 55.97 55.13 3ite s LYS 142 Cb -0.12 -3.75 -0.05 0.00 -1.46 0.00 0.00 37.83 32.45 3ite s LYS 142 CO 0.20 -0.70 0.16 0.08 0.16 0.00 0.00 175.35 175.25 3ite s VAL 143 N 2.91 5.30 -0.15 4.02 1.01 -1.26 -0.81 120.40 131.42 3ite s VAL 143 Ca 0.30 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 3ite s VAL 143 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 3ite s VAL 143 CO 0.13 0.33 -0.10 -0.76 0.00 0.00 0.00 175.10 174.70 3ite s LEU 144 N 1.22 2.81 -0.42 3.92 1.43 0.39 -4.95 118.68 123.08 3ite s LEU 144 Ca 0.07 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 3ite s LEU 144 Cb -0.14 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3ite s LEU 144 CO 0.06 0.12 0.46 -0.62 0.23 0.00 0.00 176.35 176.60 3ite s ASP 145 N 0.62 6.21 0.00 2.29 2.15 -1.26 -0.76 116.67 125.92 3ite s ASP 145 Ca -0.06 -0.62 0.06 0.00 0.43 0.00 0.00 52.55 52.36 3ite s ASP 145 Cb -0.15 -2.23 0.28 0.00 -0.30 0.00 0.00 42.92 40.52 3ite s ASP 145 CO 0.03 -0.59 1.18 0.35 -0.17 0.00 0.00 175.17 175.97 3ite n THR 146 N 5.47 1.45 0.17 1.71 -2.24 -0.10 -1.49 114.28 119.24 3ite n THR 146 Ca -0.07 0.36 0.06 0.00 -2.27 0.00 0.00 64.05 62.14 3ite n THR 146 Cb 0.47 -1.25 0.11 0.00 -2.10 0.00 0.00 70.33 67.56 3ite n THR 146 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ite n LYS 147 N -1.46 1.75 -2.83 -0.78 5.02 -1.26 -4.78 118.16 113.82 3ite n LYS 147 Ca 0.02 -1.65 -0.42 0.00 -2.02 0.00 0.00 58.31 54.24 3ite n LYS 147 Cb 0.07 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3ite n LYS 147 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ite s ASN 148 N -1.01 7.10 0.39 4.39 3.84 -0.56 -4.93 114.94 124.17 3ite s ASN 148 Ca 0.20 1.35 0.15 0.00 0.21 0.00 0.00 52.86 54.76 3ite s ASN 148 Cb 0.12 -2.49 1.00 0.00 -0.55 0.00 0.00 41.25 39.32 3ite s ASN 148 CO 0.16 -0.36 1.84 -0.61 -2.79 0.00 0.00 177.10 175.34 3ite h GLN 149 N 7.11 0.48 -0.40 0.43 4.15 -1.93 0.25 115.11 125.20 3ite h GLN 149 Ca -0.33 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 58.94 3ite h GLN 149 Cb 1.16 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 3ite h GLN 149 CO 0.82 0.32 -0.24 1.03 -1.93 0.00 0.00 178.83 178.83 3ite h SER 150 N 0.50 0.91 -0.67 -0.69 0.87 -1.94 -1.96 113.55 110.56 3ite h SER 150 Ca 0.50 -0.42 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3ite h SER 150 Cb 1.11 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 3ite h SER 150 CO -0.22 1.13 0.20 0.15 -0.53 0.00 0.00 176.83 177.55 3ite h PHE 151 N 0.69 1.09 -0.63 2.24 3.57 -1.25 -2.18 116.94 120.47 3ite h PHE 151 Ca 0.09 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 3ite h PHE 151 Cb 0.81 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3ite h PHE 151 CO 0.06 0.89 0.17 0.82 -2.23 0.00 0.00 178.31 178.02 3ite h ILE 152 N 0.98 1.25 -0.31 1.41 2.04 -1.23 -0.96 117.51 120.70 3ite h ILE 152 Ca 0.21 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 3ite h ILE 152 Cb 0.32 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ite h ILE 152 CO -0.00 0.34 -0.14 -0.33 0.00 0.00 0.00 178.15 178.01 3ite h GLU 153 N 0.92 0.64 -0.43 2.37 5.08 -1.24 -1.48 114.58 120.44 3ite h GLU 153 Ca 0.20 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3ite h GLU 153 Cb 0.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3ite h GLU 153 CO -0.00 0.86 0.22 -0.97 -1.00 0.00 0.00 179.01 178.12 3ite h ASN 154 N 0.40 0.56 -0.66 1.42 -0.00 -1.23 -2.52 115.58 113.55 3ite h ASN 154 Ca 0.07 -0.11 0.09 0.00 -0.00 0.00 0.00 56.30 56.35 3ite h ASN 154 Cb 0.66 -0.14 -0.07 0.00 -0.00 0.00 0.00 38.32 38.77 3ite h ASN 154 CO 0.04 0.51 0.29 0.25 -0.00 0.00 0.00 177.43 178.53 3ite h LEU 155 N 0.56 0.35 0.00 0.34 5.85 -1.00 -2.41 115.31 119.00 3ite h LEU 155 Ca 0.15 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3ite h LEU 155 Cb 0.09 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3ite h LEU 155 CO -0.02 0.20 0.00 -1.54 -0.34 0.00 0.00 178.44 176.74 3ite n SER 156 N -4.93 0.00 0.01 1.25 3.41 -0.57 -1.66 113.62 111.13 3ite n SER 156 Ca 0.10 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.17 3ite n SER 156 Cb 0.27 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 3ite n SER 156 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ite n THR 157 N -1.43 0.08 -1.23 6.66 -1.04 -0.91 -4.96 114.28 111.45 3ite n THR 157 Ca 0.05 -0.31 -0.31 0.00 -2.04 0.00 0.00 64.05 61.44 3ite n THR 157 Cb 0.16 0.29 0.10 0.00 -1.82 0.00 0.00 70.33 69.05 3ite n THR 157 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ite s GLN 158 N -3.30 2.18 0.55 -2.82 -1.52 -0.67 -5.03 119.66 109.05 3ite s GLN 158 Ca -0.01 1.20 -0.21 0.00 -1.95 0.00 0.00 55.36 54.40 3ite s GLN 158 Cb 0.14 -1.89 -0.05 0.00 -0.22 0.00 0.00 33.01 31.00 3ite s GLN 158 CO 0.87 -1.71 1.22 0.34 -0.25 0.00 0.00 175.29 175.76 3ite s ASP 159 N -3.33 5.49 0.00 5.90 2.15 -1.26 -4.86 116.67 120.75 3ite s ASP 159 Ca 0.62 2.43 0.13 0.00 0.43 0.00 0.00 52.55 56.16 3ite s ASP 159 Cb -0.18 -2.61 0.11 0.00 -0.30 0.00 0.00 42.92 39.95 3ite s ASP 159 CO 0.56 -1.39 0.92 0.35 -0.17 0.00 0.00 175.17 175.44 3ite n THR 160 N -1.17 0.03 -1.93 1.71 -2.24 -1.26 -3.40 114.28 106.02 3ite n THR 160 Ca 0.11 -0.52 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 3ite n THR 160 Cb 0.48 1.24 0.03 0.00 -2.10 0.00 0.00 70.33 69.98 3ite n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ite s SER 161 N -1.07 5.48 0.32 3.42 0.01 -1.26 -4.59 113.70 116.01 3ite s SER 161 Ca 0.15 1.92 -0.29 0.00 1.31 0.00 0.00 55.95 59.05 3ite s SER 161 Cb 0.11 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.67 3ite s SER 161 CO 0.16 -1.38 1.35 0.47 0.41 0.00 0.00 173.24 174.25 3ite n ASP 162 N -2.16 2.91 -4.74 2.44 8.00 -1.26 -4.83 116.55 116.91 3ite n ASP 162 Ca 0.10 1.19 -0.41 0.00 0.71 0.00 0.00 54.79 56.38 3ite n ASP 162 Cb 0.52 -1.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.09 3ite n ASP 162 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ite s ILE 163 N -0.83 3.95 -0.25 0.53 -1.09 -1.26 -4.96 121.20 117.29 3ite s ILE 163 Ca 0.58 1.66 -0.28 0.00 -2.23 0.00 0.00 60.65 60.38 3ite s ILE 163 Cb -0.57 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.21 3ite s ILE 163 CO 0.59 0.28 1.97 -0.76 -1.23 0.00 0.00 174.94 175.79 3ite s LEU 164 N -0.27 3.57 -0.92 2.97 1.43 -1.26 -4.88 118.68 119.32 3ite s LEU 164 Ca 0.49 1.67 -0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3ite s LEU 164 Cb -0.29 -3.52 0.30 0.00 0.03 0.00 0.00 46.19 42.72 3ite s LEU 164 CO 0.34 -1.74 1.36 -3.20 0.23 0.00 0.00 176.35 173.35 3ite n ASN 165 N 10.55 5.91 -3.04 2.29 2.85 -1.26 -4.90 115.26 127.66 3ite n ASN 165 Ca 0.25 -3.52 -0.30 0.00 -0.11 0.00 0.00 54.58 50.90 3ite n ASN 165 Cb 0.45 -1.05 -0.02 0.00 1.24 0.00 0.00 39.78 40.41 3ite n ASN 165 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3ite n ASN 166 N 0.71 5.24 -4.91 1.20 5.15 -1.26 -4.98 115.26 116.41 3ite n ASN 166 Ca 0.32 -3.70 -0.29 0.00 -0.60 0.00 0.00 54.58 50.32 3ite n ASN 166 Cb 0.34 -0.70 -0.04 0.00 -0.53 0.00 0.00 39.78 38.85 3ite n ASN 166 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3ite s TYR 167 N -3.69 3.48 0.69 1.20 2.02 -1.26 -5.05 117.35 114.73 3ite s TYR 167 Ca 0.47 0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 57.46 3ite s TYR 167 Cb 0.28 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3ite s TYR 167 CO -0.15 0.37 1.00 -2.30 -1.57 0.00 0.00 175.55 172.90 3ite n PRO 168 N -0.42 0.64 0.09 -1.71 -0.02 -1.26 -4.90 135.00 127.43 3ite n PRO 168 Ca -0.03 0.27 0.02 0.00 -2.02 0.00 0.00 63.50 61.74 3ite n PRO 168 Cb 0.53 -2.24 0.38 0.00 -0.02 0.00 0.00 33.50 32.15 3ite n PRO 168 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ite h GLU 169 N -0.03 0.31 -0.35 -0.52 4.39 -1.99 -2.77 114.58 113.62 3ite h GLU 169 Ca -0.48 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3ite h GLU 169 Cb 1.34 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3ite h GLU 169 CO 0.48 0.40 0.00 0.27 -1.16 0.00 0.00 179.01 179.01 3ite n ASN 170 N -4.29 2.77 -4.78 1.42 6.94 -1.26 -1.54 115.26 114.51 3ite n ASN 170 Ca -0.00 -1.91 -0.41 0.00 -0.02 0.00 0.00 54.58 52.24 3ite n ASN 170 Cb 0.25 -0.23 -0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3ite n ASN 170 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3ite n LEU 171 N 1.03 4.85 -4.76 -4.53 7.94 -1.05 -4.73 117.00 115.76 3ite n LEU 171 Ca 0.18 1.23 -0.41 0.00 -1.11 0.00 0.00 56.01 55.90 3ite n LEU 171 Cb 0.49 -1.63 -0.02 0.00 0.53 0.00 0.00 43.42 42.79 3ite n LEU 171 CO 0.14 0.20 1.09 -1.81 -1.11 0.00 0.00 177.39 175.90 3ite s ASP 172 N -0.12 6.58 -0.23 1.96 1.01 -1.26 -1.52 116.67 123.09 3ite s ASP 172 Ca 0.53 2.81 0.07 0.00 0.71 0.00 0.00 52.55 56.67 3ite s ASP 172 Cb -0.47 -2.64 -0.19 0.00 1.01 0.00 0.00 42.92 40.62 3ite s ASP 172 CO 0.64 -0.72 -0.13 0.00 0.21 0.00 0.00 175.17 175.17 3ite n ALA 173 N 1.33 1.48 -2.66 5.23 0.00 0.18 -4.45 120.51 121.62 3ite n ALA 173 Ca 0.03 -1.15 -0.09 0.00 0.00 0.00 0.00 53.44 52.23 3ite n ALA 173 Cb 0.40 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 3ite n ALA 173 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3ite s TYR 174 N -2.49 0.27 -0.12 0.00 -0.85 -0.97 -0.99 117.35 112.19 3ite s TYR 174 Ca -0.26 -0.66 -0.01 0.00 -0.52 0.00 0.00 57.07 55.62 3ite s TYR 174 Cb 0.08 -0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.41 3ite s TYR 174 CO 0.66 -0.64 -0.02 -1.17 -1.52 0.00 0.00 175.55 172.85 3ite s LEU 175 N -2.92 1.04 -0.13 -3.49 2.96 -0.18 -0.59 118.68 115.37 3ite s LEU 175 Ca 0.11 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3ite s LEU 175 Cb 0.04 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 46.09 3ite s LEU 175 CO -0.05 -0.19 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.41 3ite s LEU 176 N 1.82 1.75 -0.03 -0.68 0.20 -0.29 -4.27 118.68 117.18 3ite s LEU 176 Ca 0.03 -0.48 -0.22 0.00 0.69 0.00 0.00 54.13 54.16 3ite s LEU 176 Cb -0.14 -1.18 -0.05 0.00 -0.43 0.00 0.00 46.19 44.40 3ite s LEU 176 CO -0.07 -0.01 0.63 -0.31 -0.29 0.00 0.00 176.35 176.30 3ite s TYR 177 N 1.22 3.63 0.13 5.38 1.51 -1.26 -0.89 117.35 127.07 3ite s TYR 177 Ca -0.01 1.20 0.06 0.00 -1.01 0.00 0.00 57.07 57.31 3ite s TYR 177 Cb -0.14 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.99 3ite s TYR 177 CO -0.06 0.24 -0.13 -0.08 -1.11 0.00 0.00 175.55 174.40 3ite s THR 178 N 0.24 1.30 0.93 -0.71 -1.32 -0.16 -4.94 115.64 110.98 3ite s THR 178 Ca 0.33 -1.84 -0.13 0.00 -1.21 0.00 0.00 61.69 58.84 3ite s THR 178 Cb -0.18 -1.64 0.15 0.00 -1.51 0.00 0.00 72.50 69.32 3ite s THR 178 CO 0.17 -0.52 1.14 -0.94 -2.21 0.00 0.00 174.62 172.26 3ite s SER 179 N -2.71 3.35 0.00 8.08 1.04 -1.26 -0.49 113.70 121.71 3ite s SER 179 Ca 0.12 0.92 0.16 0.00 0.48 0.00 0.00 55.95 57.63 3ite s SER 179 Cb -0.03 -1.47 0.81 0.00 0.10 0.00 0.00 66.02 65.44 3ite s SER 179 CO 0.03 -2.65 1.46 0.61 0.98 0.00 0.00 173.24 173.67 3ite n GLY 183 N -2.19 -0.81 3.64 7.32 0.00 -1.26 -4.74 105.19 107.15 3ite n GLY 183 Ca 0.07 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3ite n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ite s THR 184 N -2.56 5.03 0.51 2.61 2.01 -1.26 -5.04 115.64 116.94 3ite s THR 184 Ca 0.15 1.07 -0.21 0.00 0.31 0.00 0.00 61.69 63.01 3ite s THR 184 Cb 0.11 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 3ite s THR 184 CO 0.24 0.09 1.20 -2.16 -0.69 0.00 0.00 174.62 173.30 3ite s PRO 185 N 2.15 3.44 -0.08 4.92 0.04 -1.26 -5.03 135.00 139.18 3ite s PRO 185 Ca 0.26 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.15 3ite s PRO 185 Cb -0.16 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 3ite s PRO 185 CO 0.09 -0.83 -0.13 -1.59 0.04 0.00 0.00 177.00 174.58 3ite s LYS 186 N -2.95 2.86 -0.07 4.56 -2.85 0.36 -4.92 119.74 116.72 3ite s LYS 186 Ca 0.69 -0.67 -0.27 0.00 -1.00 0.00 0.00 55.97 54.72 3ite s LYS 186 Cb -0.30 -2.50 -0.03 0.00 -2.06 0.00 0.00 37.83 32.94 3ite s LYS 186 CO 0.35 0.48 0.86 0.20 0.10 0.00 0.00 175.35 177.34 3ite s GLY 187 N -0.34 2.55 -0.22 0.59 0.00 -1.26 -0.99 107.32 107.66 3ite s GLY 187 Ca 0.03 0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.91 3ite s GLY 187 CO 0.02 1.56 0.21 0.14 0.00 0.00 0.00 173.10 175.03 3ite s VAL 188 N 1.35 5.34 -0.34 1.40 1.01 -0.07 -0.76 120.40 128.33 3ite s VAL 188 Ca 0.44 0.31 -0.19 0.00 0.00 0.00 0.00 61.98 62.54 3ite s VAL 188 Cb -0.19 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 3ite s VAL 188 CO 0.20 0.36 0.55 -0.13 0.00 0.00 0.00 175.10 176.08 3ite s ARG 189 N 0.87 3.71 -0.14 2.72 0.52 -0.46 -1.13 118.95 125.05 3ite s ARG 189 Ca 0.11 -0.01 -0.02 0.00 -0.52 0.00 0.00 55.73 55.28 3ite s ARG 189 Cb -0.13 -3.78 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 3ite s ARG 189 CO 0.03 -0.63 -0.07 0.08 0.02 0.00 0.00 175.30 174.73 3ite s VAL 190 N 2.48 3.57 0.67 3.52 1.01 0.24 -0.80 120.40 131.08 3ite s VAL 190 Ca 0.21 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 3ite s VAL 190 Cb -0.15 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.74 3ite s VAL 190 CO 0.13 0.51 0.97 -0.94 0.00 0.00 0.00 175.10 175.77 3ite s SER 191 N 0.28 5.02 0.17 3.32 1.04 -1.26 0.51 113.70 122.77 3ite s SER 191 Ca -0.06 0.46 -0.13 0.00 0.48 0.00 0.00 55.95 56.71 3ite s SER 191 Cb -0.15 -1.21 0.07 0.00 0.10 0.00 0.00 66.02 64.84 3ite s SER 191 CO 0.04 -1.45 1.75 0.03 0.98 0.00 0.00 173.24 174.59 3ite h ARG 192 N -0.45 0.83 -0.80 4.02 3.08 -1.32 -1.81 114.38 117.93 3ite h ARG 192 Ca -0.44 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.47 3ite h ARG 192 Cb 1.30 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 3ite h ARG 192 CO 0.60 0.68 0.47 1.25 -1.07 0.00 0.00 179.97 181.90 3ite h HIS 193 N 0.78 1.07 -0.29 3.04 2.76 -1.55 -0.32 115.15 120.64 3ite h HIS 193 Ca 0.20 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 3ite h HIS 193 Cb 0.13 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.71 3ite h HIS 193 CO -0.00 0.73 0.11 -0.91 -1.30 0.00 0.00 177.93 176.56 3ite h ASN 194 N 1.10 0.13 0.20 3.26 -0.26 -1.61 -0.85 115.58 117.55 3ite h ASN 194 Ca 0.29 0.03 -0.19 0.00 -0.56 0.00 0.00 56.30 55.86 3ite h ASN 194 Cb -0.02 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 3ite h ASN 194 CO -0.05 0.11 -0.76 0.25 -1.06 0.00 0.00 177.43 175.92 3ite h LEU 195 N 0.24 0.56 -0.15 1.61 5.85 -1.08 -1.08 115.31 121.26 3ite h LEU 195 Ca 0.13 -0.37 -0.21 0.00 0.84 0.00 0.00 57.88 58.27 3ite h LEU 195 Cb 0.08 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3ite h LEU 195 CO -0.12 1.13 -0.96 0.77 -0.34 0.00 0.00 178.44 178.91 3ite h SER 196 N 0.31 0.15 -0.07 1.25 4.64 -0.98 -1.89 113.55 116.96 3ite h SER 196 Ca -0.04 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.05 3ite h SER 196 Cb 1.35 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3ite h SER 196 CO 0.13 1.02 -0.23 0.28 -0.87 0.00 0.00 176.83 177.16 3ite h SER 197 N 0.04 0.49 -0.09 4.97 0.02 -1.09 -1.90 113.55 115.99 3ite h SER 197 Ca -0.04 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3ite h SER 197 Cb 1.65 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 3ite h SER 197 CO 0.14 0.72 -0.05 0.15 -1.14 0.00 0.00 176.83 176.65 3ite h PHE 198 N 0.44 -0.12 -0.38 3.45 3.57 -0.85 0.95 116.94 124.01 3ite h PHE 198 Ca 0.07 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3ite h PHE 198 Cb 0.64 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3ite h PHE 198 CO 0.02 -0.08 -0.01 0.77 -2.23 0.00 0.00 178.31 176.78 3ite h SER 199 N -0.05 0.58 -0.08 0.41 0.02 -0.98 -0.11 113.55 113.34 3ite h SER 199 Ca 0.06 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 3ite h SER 199 Cb 0.13 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.52 3ite h SER 199 CO -0.12 0.65 -0.40 -0.78 -1.14 0.00 0.00 176.83 175.04 3ite h ASP 200 N 0.58 0.49 -0.39 3.07 3.58 -1.18 0.04 116.42 122.60 3ite h ASP 200 Ca 0.12 -0.65 -0.06 0.00 0.42 0.00 0.00 57.03 56.86 3ite h ASP 200 Cb 0.38 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3ite h ASP 200 CO 0.01 1.06 0.03 0.00 -2.88 0.00 0.00 179.24 177.47 3ite h ALA 201 N 0.44 0.53 -0.00 -0.78 0.00 -0.51 -2.82 119.26 116.11 3ite h ALA 201 Ca -0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 3ite h ALA 201 Cb 1.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3ite h ALA 201 CO 0.08 0.28 -0.75 -1.49 0.00 0.00 0.00 179.25 177.37 3ite h TRP 202 N 0.51 0.02 -0.95 0.00 4.06 -1.06 -1.58 115.95 116.96 3ite h TRP 202 Ca 0.12 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.13 3ite h TRP 202 Cb 0.43 -0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.51 3ite h TRP 202 CO 0.03 0.76 0.60 0.78 -3.56 0.00 0.00 178.44 177.06 3ite h GLY 203 N 2.20 1.47 0.94 1.49 0.00 -0.91 -0.21 103.07 108.04 3ite h GLY 203 Ca -0.01 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 3ite h GLY 203 CO 0.10 0.28 -0.50 0.50 0.00 0.00 0.00 176.54 176.92 3ite h LYS 204 N 1.07 0.59 -0.02 4.80 1.57 -1.24 -1.56 116.57 121.78 3ite h LYS 204 Ca 0.42 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ite h LYS 204 Cb 0.23 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ite h LYS 204 CO -0.19 1.07 -0.01 1.25 -0.57 0.00 0.00 179.45 180.99 3ite h LEU 205 N 0.24 0.05 -0.69 2.94 6.46 -0.78 -2.03 115.31 121.50 3ite h LEU 205 Ca -0.02 -0.43 -0.06 0.00 -0.12 0.00 0.00 57.88 57.25 3ite h LEU 205 Cb 1.12 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.01 3ite h LEU 205 CO 0.11 0.47 0.19 0.40 -0.62 0.00 0.00 178.44 178.98 3ite h ILE 206 N -0.36 1.26 -0.34 4.05 2.04 -1.14 -0.62 117.51 122.40 3ite h ILE 206 Ca 0.01 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 3ite h ILE 206 Cb 0.45 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3ite h ILE 206 CO 0.00 0.36 0.06 1.23 0.00 0.00 0.00 178.15 179.80 3ite h GLY 207 N 1.02 0.54 0.44 5.37 0.00 -1.24 0.53 103.07 109.73 3ite h GLY 207 Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3ite h GLY 207 CO -0.00 0.27 -0.00 -0.57 0.00 0.00 0.00 176.54 176.23 3ite h ASN 208 N 0.49 -0.01 1.44 0.19 -1.24 -0.57 -3.21 115.58 112.68 3ite h ASN 208 Ca 0.11 -0.55 -0.05 0.00 0.71 0.00 0.00 56.30 56.52 3ite h ASN 208 Cb 0.23 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3ite h ASN 208 CO -0.00 0.55 -0.57 -0.37 -1.29 0.00 0.00 177.43 175.75 3ite h VAL 209 N -0.57 0.31 -2.11 2.57 -1.51 -0.96 -3.37 116.25 110.61 3ite h VAL 209 Ca -0.00 -1.48 -0.58 0.00 -1.23 0.00 0.00 66.70 63.41 3ite h VAL 209 Cb 0.56 2.01 -0.40 0.00 -2.13 0.00 0.00 31.29 31.33 3ite h VAL 209 CO 0.00 0.18 -0.91 0.00 -1.23 0.00 0.00 177.57 175.61 3ite n ALA 210 N -2.20 3.05 0.11 5.19 0.00 0.16 -4.74 120.51 122.08 3ite n ALA 210 Ca 0.01 -3.89 0.17 0.00 0.00 0.00 0.00 53.44 49.73 3ite n ALA 210 Cb 0.64 -0.84 0.73 0.00 0.00 0.00 0.00 19.45 19.97 3ite n ALA 210 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ite h PRO 211 N 4.18 0.00 -0.16 0.00 0.11 -1.73 0.39 132.00 134.79 3ite h PRO 211 Ca 0.13 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.28 3ite h PRO 211 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3ite h PRO 211 CO 0.59 0.00 0.15 -0.22 -0.21 0.00 0.00 178.00 178.32 3ite h LYS 212 N 0.00 0.00 -1.03 1.05 1.63 -1.92 -1.44 116.57 114.85 3ite h LYS 212 Ca 0.16 0.00 0.26 0.00 -0.85 0.00 0.00 60.65 60.22 3ite h LYS 212 Cb 0.70 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.22 3ite h LYS 212 CO -0.00 0.00 0.64 0.77 -3.45 0.00 0.00 179.45 177.41 3ite h SER 213 N 0.00 0.54 0.73 4.20 0.02 -0.55 0.22 113.55 118.71 3ite h SER 213 Ca 0.07 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3ite h SER 213 Cb 0.38 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3ite h SER 213 CO -0.00 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 175.95 3ite n LEU 214 N -4.74 0.17 -0.22 5.07 4.77 -0.54 -2.30 117.00 119.22 3ite n LEU 214 Ca 0.26 0.53 0.11 0.00 -0.03 0.00 0.00 56.01 56.89 3ite n LEU 214 Cb 0.84 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3ite n LEU 214 CO 0.21 -0.24 0.24 -0.62 -1.33 0.00 0.00 177.39 175.66 3ite n GLU 215 N -1.68 0.56 -0.23 3.23 1.02 0.76 -4.54 120.64 119.75 3ite n GLU 215 Ca 0.04 -0.43 0.12 0.00 -0.02 0.00 0.00 57.16 56.87 3ite n GLU 215 Cb 0.24 -1.49 0.25 0.00 -0.02 0.00 0.00 31.44 30.42 3ite n GLU 215 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ite n LEU 216 N -0.84 3.47 -4.69 -4.62 4.77 -0.97 -4.91 117.00 109.21 3ite n LEU 216 Ca 0.07 -1.56 -0.44 0.00 -0.03 0.00 0.00 56.01 54.05 3ite n LEU 216 Cb 0.38 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3ite n LEU 216 CO 0.34 0.78 1.09 0.61 -1.33 0.00 0.00 177.39 178.89 3ite n GLY 217 N 1.53 0.96 2.86 -0.72 0.00 -1.25 -0.34 105.19 108.22 3ite n GLY 217 Ca 0.20 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.73 3ite n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ite n GLY 218 N 2.35 2.72 0.38 -0.02 0.00 -0.09 -4.74 105.19 105.78 3ite n GLY 218 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3ite n GLY 218 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ite n VAL 219 N -2.00 0.00 -1.34 1.61 0.31 0.54 -4.69 118.33 112.76 3ite n VAL 219 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 3ite n VAL 219 Cb 0.00 -0.58 0.19 0.00 -0.91 0.00 0.00 33.84 32.54 3ite n VAL 219 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3ite s GLY 220 N -4.06 1.61 -0.08 2.92 0.00 0.17 -4.88 107.32 103.00 3ite s GLY 220 Ca 0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 44.72 43.89 3ite s GLY 220 CO 0.00 -0.03 0.20 0.54 0.00 0.00 0.00 173.10 173.81 3ite s LYS 221 N -5.35 0.23 -0.24 2.90 1.02 -1.26 -1.44 119.74 115.60 3ite s LYS 221 Ca 0.68 0.31 -0.06 0.00 0.02 0.00 0.00 55.97 56.93 3ite s LYS 221 Cb -0.12 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 3ite s LYS 221 CO 0.55 -0.05 0.02 0.12 -0.92 0.00 0.00 175.35 175.07 3ite s PHE 222 N 0.25 3.03 -0.05 3.18 2.19 -0.22 -1.44 117.98 124.92 3ite s PHE 222 Ca -0.01 -0.67 -0.30 0.00 0.33 0.00 0.00 56.93 56.28 3ite s PHE 222 Cb -0.03 -2.18 -0.04 0.00 -1.31 0.00 0.00 43.02 39.47 3ite s PHE 222 CO -0.01 -0.45 1.29 -1.17 1.83 0.00 0.00 175.22 176.71 3ite s LEU 223 N 1.55 4.28 -0.95 6.12 2.96 -0.33 -1.64 118.68 130.68 3ite s LEU 223 Ca 0.06 1.92 -0.15 0.00 -0.22 0.00 0.00 54.13 55.74 3ite s LEU 223 Cb -0.15 -3.56 0.20 0.00 0.50 0.00 0.00 46.19 43.18 3ite s LEU 223 CO 0.00 -0.66 1.00 0.00 -1.32 0.00 0.00 176.35 175.38 3ite n LEU 225 N 4.70 0.00 -4.77 0.00 7.94 -1.26 -4.58 117.00 119.02 3ite n LEU 225 Ca 0.21 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.71 3ite n LEU 225 Cb 0.46 0.37 0.00 0.00 0.53 0.00 0.00 43.42 44.78 3ite n LEU 225 CO 0.43 0.37 1.02 0.00 -1.11 0.00 0.00 177.39 178.10 3ite s ALA 226 N -2.73 3.30 0.41 1.96 0.00 -1.26 -4.98 121.76 118.46 3ite s ALA 226 Ca -0.09 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 3ite s ALA 226 Cb 0.08 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3ite s ALA 226 CO 0.83 -0.98 1.02 0.45 0.00 0.00 0.00 175.76 177.07 3ite n SER 227 N 0.07 1.30 0.00 0.00 2.88 -1.26 -4.73 113.62 111.88 3ite n SER 227 Ca 0.04 1.05 0.05 0.00 -1.33 0.00 0.00 58.87 58.67 3ite n SER 227 Cb 0.42 -1.35 0.22 0.00 -0.75 0.00 0.00 64.21 62.75 3ite n SER 227 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3ite n ARG 228 N 0.19 0.09 0.28 -1.46 1.74 -1.26 -1.54 116.66 114.70 3ite n ARG 228 Ca 0.09 0.24 0.16 0.00 -0.77 0.00 0.00 57.85 57.58 3ite n ARG 228 Cb 0.39 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 31.07 3ite n ARG 228 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ite h ALA 229 N 2.41 1.04 -2.78 7.54 0.00 -1.93 -3.44 119.26 122.10 3ite h ALA 229 Ca 0.00 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 54.25 3ite h ALA 229 Cb 0.11 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.75 3ite h ALA 229 CO 0.00 0.07 -0.72 -0.06 0.00 0.00 0.00 179.25 178.54 3ite s PHE 230 N -3.82 2.58 -0.21 0.00 0.08 -0.59 -4.81 117.98 111.22 3ite s PHE 230 Ca -0.00 -0.25 0.28 0.00 0.12 0.00 0.00 56.93 57.08 3ite s PHE 230 Cb 0.10 -1.22 1.20 0.00 -0.57 0.00 0.00 43.02 42.53 3ite s PHE 230 CO 0.54 0.55 1.83 0.38 -0.10 0.00 0.00 175.22 178.43 3ite h ASP 231 N 2.66 0.00 -0.70 1.36 2.03 -1.87 -2.53 116.42 117.36 3ite h ASP 231 Ca -0.45 0.00 0.14 0.00 -0.73 0.00 0.00 57.03 55.99 3ite h ASP 231 Cb 1.22 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.68 3ite h ASP 231 CO 0.55 0.00 0.47 0.58 -1.03 0.00 0.00 179.24 179.82 3ite h VAL 232 N 0.00 0.81 0.00 4.15 2.07 -1.92 0.27 116.25 121.62 3ite h VAL 232 Ca 0.00 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3ite h VAL 232 Cb 0.37 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3ite h VAL 232 CO 0.00 0.07 -0.28 1.12 0.02 0.00 0.00 177.57 178.50 3ite h HIS 233 N 0.37 0.00 -0.03 1.57 2.07 -1.67 -1.39 115.15 116.07 3ite h HIS 233 Ca 0.34 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.71 3ite h HIS 233 Cb 0.81 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.81 3ite h HIS 233 CO -0.00 0.28 -0.57 0.82 -3.07 0.00 0.00 177.93 175.39 3ite h ILE 234 N 0.00 1.41 -0.43 6.12 2.04 -1.16 -3.27 117.51 122.22 3ite h ILE 234 Ca -0.00 -2.01 0.05 0.00 1.00 0.00 0.00 64.86 63.90 3ite h ILE 234 Cb 0.68 2.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.21 3ite h ILE 234 CO 0.04 0.59 0.16 1.23 0.00 0.00 0.00 178.15 180.17 3ite h GLY 235 N -0.06 0.57 -0.60 5.37 0.00 -1.12 -2.32 103.07 104.90 3ite h GLY 235 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3ite h GLY 235 CO 0.11 0.03 0.00 1.18 0.00 0.00 0.00 176.54 177.87 3ite n GLU 236 N -5.00 0.00 0.00 4.80 1.02 -0.56 -0.81 120.64 120.09 3ite n GLU 236 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3ite n GLU 236 Cb 0.16 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 3ite n GLU 236 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3ite n PHE 238 N 0.08 0.00 0.02 -0.32 3.72 -0.87 -1.57 117.46 118.52 3ite n PHE 238 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3ite n PHE 238 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 3ite n PHE 238 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3ite h LEU 239 N 0.00 0.68 -0.37 4.37 3.38 -1.23 -0.39 115.31 121.75 3ite h LEU 239 Ca 0.00 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.56 3ite h LEU 239 Cb 0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3ite h LEU 239 CO 0.00 1.23 0.09 0.00 0.09 0.00 0.00 178.44 179.85 3ite h ALA 240 N 0.75 0.41 -0.12 1.53 0.00 -1.52 -2.86 119.26 117.45 3ite h ALA 240 Ca -0.05 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3ite h ALA 240 Cb 1.38 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3ite h ALA 240 CO 0.15 -0.31 -0.55 -1.49 0.00 0.00 0.00 179.25 177.05 3ite h TRP 241 N 0.23 0.46 -0.98 0.00 6.55 -1.75 -0.50 115.95 119.95 3ite h TRP 241 Ca 0.18 -0.16 0.19 0.00 0.95 0.00 0.00 58.89 60.04 3ite h TRP 241 Cb 0.19 -0.09 -0.09 0.00 -0.86 0.00 0.00 29.16 28.31 3ite h TRP 241 CO -0.18 0.84 0.61 -0.09 -1.05 0.00 0.00 178.44 178.57 3ite h ARG 242 N 0.28 0.66 -0.28 0.49 9.65 -0.85 -2.58 114.38 121.76 3ite h ARG 242 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3ite h ARG 242 Cb 1.06 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 3ite h ARG 242 CO 0.09 0.44 0.00 1.19 2.80 0.00 0.00 179.97 184.49 3ite n PHE 243 N -4.68 0.35 -1.04 2.20 3.72 -0.91 -4.94 117.46 112.15 3ite n PHE 243 Ca 0.22 -0.20 -0.01 0.00 -0.05 0.00 0.00 57.45 57.41 3ite n PHE 243 Cb 0.60 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.13 3ite n PHE 243 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ite n GLY 244 N 1.27 0.51 3.94 1.37 0.00 -0.97 -3.97 105.19 107.34 3ite n GLY 244 Ca 0.16 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 3ite n GLY 244 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ite s LEU 245 N -0.33 2.78 -0.25 0.99 1.43 -0.24 -0.92 118.68 122.13 3ite s LEU 245 Ca 0.00 0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 3ite s LEU 245 Cb 0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3ite s LEU 245 CO 0.00 -2.15 0.39 0.00 0.23 0.00 0.00 176.35 174.82 3ite s ALA 247 N 1.91 3.63 -0.01 0.00 0.00 0.24 -1.06 121.76 126.47 3ite s ALA 247 Ca 0.16 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.98 3ite s ALA 247 Cb -0.15 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 3ite s ALA 247 CO 0.09 -1.32 -0.21 0.54 0.00 0.00 0.00 175.76 174.86 3ite s VAL 248 N 3.85 1.63 0.28 0.00 0.11 -0.65 -0.84 120.40 124.76 3ite s VAL 248 Ca 0.68 -0.93 -0.17 0.00 -2.93 0.00 0.00 61.98 58.63 3ite s VAL 248 Cb -0.30 -1.36 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 3ite s VAL 248 CO 0.25 0.42 0.63 0.28 -3.33 0.00 0.00 175.10 173.34 3ite s THR 249 N -0.53 0.00 0.32 5.04 -1.32 -0.75 0.31 115.64 118.71 3ite s THR 249 Ca 0.08 -1.17 -0.18 0.00 -1.21 0.00 0.00 61.69 59.20 3ite s THR 249 Cb -0.08 -2.15 0.05 0.00 -1.51 0.00 0.00 72.50 68.81 3ite s THR 249 CO -0.00 0.00 0.83 -0.83 -2.21 0.00 0.00 174.62 172.41 3ite s GLY 250 N -2.98 0.21 0.12 6.08 0.00 -1.26 -0.31 107.32 109.19 3ite s GLY 250 Ca 0.16 -0.55 -0.35 0.00 0.00 0.00 0.00 44.72 43.98 3ite s GLY 250 CO 0.08 0.23 1.54 -2.21 0.00 0.00 0.00 173.10 172.75 3ite n GLU 251 N -0.55 1.91 -0.28 2.90 2.13 -1.26 -4.88 120.64 120.61 3ite n GLU 251 Ca -0.07 0.69 -0.00 0.00 0.66 0.00 0.00 57.16 58.44 3ite n GLU 251 Cb 0.60 -2.43 0.13 0.00 0.27 0.00 0.00 31.44 30.00 3ite n GLU 251 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ite h ARG 252 N 5.81 0.86 -0.85 5.31 3.08 -1.96 -1.37 114.38 125.25 3ite h ARG 252 Ca -0.46 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.57 3ite h ARG 252 Cb 1.27 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 3ite h ARG 252 CO 0.87 0.57 0.56 -0.07 -1.07 0.00 0.00 179.97 180.82 3ite h LEU 253 N 0.88 0.92 -1.71 3.04 3.38 -2.00 -0.23 115.31 119.59 3ite h LEU 253 Ca 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3ite h LEU 253 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ite h LEU 253 CO -0.17 0.64 0.00 -1.20 0.09 0.00 0.00 178.44 177.80 3ite n SER 254 N -4.44 1.37 0.00 -0.43 7.64 -0.52 -1.91 113.62 115.33 3ite n SER 254 Ca 0.11 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.86 3ite n SER 254 Cb 0.09 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3ite n SER 254 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ite n LEU 256 N 0.57 0.00 -0.11 -3.43 4.77 -0.10 -4.21 117.00 114.49 3ite n LEU 256 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3ite n LEU 256 Cb 0.24 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3ite n LEU 256 CO 0.00 0.00 0.97 -0.78 -1.33 0.00 0.00 177.39 176.25 3ite h ASP 257 N 0.00 0.45 -2.85 -1.43 3.58 -1.61 -3.35 116.42 111.20 3ite h ASP 257 Ca 0.00 -0.09 -0.59 0.00 0.42 0.00 0.00 57.03 56.77 3ite h ASP 257 Cb 0.00 -0.11 -0.39 0.00 1.72 0.00 0.00 39.33 40.54 3ite h ASP 257 CO 0.00 0.41 -0.82 -0.62 -2.88 0.00 0.00 179.24 175.34 3ite s ASP 258 N -5.66 3.18 0.15 2.28 -1.08 -1.26 -5.01 116.67 109.27 3ite s ASP 258 Ca -0.13 -2.28 -0.14 0.00 -0.52 0.00 0.00 52.55 49.48 3ite s ASP 258 Cb 0.10 -0.58 0.03 0.00 -1.46 0.00 0.00 42.92 41.01 3ite s ASP 258 CO 0.73 -0.30 1.67 0.25 0.52 0.00 0.00 175.17 178.04 3ite h LEU 259 N 6.98 0.71 -0.76 -1.34 5.85 -1.93 -1.88 115.31 122.93 3ite h LEU 259 Ca 0.03 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.67 3ite h LEU 259 Cb 0.96 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 3ite h LEU 259 CO 0.33 0.73 0.36 -0.65 -0.34 0.00 0.00 178.44 178.87 3ite h PRO 260 N 0.65 0.55 -0.85 5.25 0.11 -1.94 -1.98 132.00 133.79 3ite h PRO 260 Ca 0.16 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.26 3ite h PRO 260 Cb 0.27 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.21 3ite h PRO 260 CO -0.00 0.37 0.56 -0.09 -0.21 0.00 0.00 178.00 178.62 3ite h ARG 261 N 0.57 1.05 0.00 1.05 2.43 -1.67 -0.63 114.38 117.17 3ite h ARG 261 Ca 0.40 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3ite h ARG 261 Cb 0.51 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3ite h ARG 261 CO -0.33 0.69 -0.00 1.15 -1.51 0.00 0.00 179.97 179.98 3ite h THR 262 N 1.08 1.15 -0.31 0.20 2.02 -0.84 0.92 112.91 117.12 3ite h THR 262 Ca 0.33 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3ite h THR 262 Cb -0.01 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3ite h THR 262 CO -0.09 0.11 0.07 -0.26 0.37 0.00 0.00 175.52 175.72 3ite h PHE 263 N -0.19 0.53 0.48 3.16 0.04 -1.14 -2.80 116.94 117.03 3ite h PHE 263 Ca -0.00 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 3ite h PHE 263 Cb 0.19 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3ite h PHE 263 CO -0.01 0.56 -0.23 -0.09 -0.60 0.00 0.00 178.31 177.94 3ite h ARG 264 N 0.35 -0.62 0.00 1.51 2.43 -1.11 -2.69 114.38 114.25 3ite h ARG 264 Ca 0.10 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3ite h ARG 264 Cb 0.30 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3ite h ARG 264 CO 0.00 -0.33 -0.04 0.93 -1.51 0.00 0.00 179.97 179.02 3ite h GLU 265 N -0.83 0.00 -0.48 0.20 4.39 -0.90 -3.14 114.58 113.84 3ite h GLU 265 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3ite h GLU 265 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3ite h GLU 265 CO 0.11 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.24 3ite n LEU 266 N -2.68 3.55 -3.60 1.33 4.77 -1.05 -4.97 117.00 114.34 3ite n LEU 266 Ca 0.05 -1.60 -0.23 0.00 -0.03 0.00 0.00 56.01 54.20 3ite n LEU 266 Cb 0.48 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3ite n LEU 266 CO 0.33 0.80 0.18 0.61 -1.33 0.00 0.00 177.39 177.97 3ite n GLY 267 N 1.54 -0.48 3.70 -0.72 0.00 -1.19 -4.94 105.19 103.11 3ite n GLY 267 Ca 0.21 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 3ite n GLY 267 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ite s VAL 268 N -3.35 4.07 -0.07 1.61 1.01 -1.01 -4.20 120.40 118.46 3ite s VAL 268 Ca 0.42 1.45 0.13 0.00 0.00 0.00 0.00 61.98 63.98 3ite s VAL 268 Cb -0.19 -3.93 -0.20 0.00 0.00 0.00 0.00 36.38 32.06 3ite s VAL 268 CO 0.75 0.04 0.31 0.35 0.00 0.00 0.00 175.10 176.55 3ite n THR 269 N 4.38 0.00 -4.05 3.92 -2.24 -0.52 -2.61 114.28 113.16 3ite n THR 269 Ca 0.11 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 3ite n THR 269 Cb 0.46 0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.81 3ite n THR 269 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ite s HIS 270 N -2.87 0.33 0.18 4.78 3.76 -0.58 -0.39 115.29 120.50 3ite s HIS 270 Ca -0.04 -0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.51 3ite s HIS 270 Cb 0.09 -0.21 0.06 0.00 1.11 0.00 0.00 32.58 33.62 3ite s HIS 270 CO 0.55 -0.03 0.66 0.00 -0.85 0.00 0.00 174.74 175.08 3ite s ALA 271 N -0.30 -1.51 -0.01 -1.40 0.00 -1.01 -1.18 121.76 116.34 3ite s ALA 271 Ca -0.01 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3ite s ALA 271 Cb -0.03 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 3ite s ALA 271 CO -0.00 -0.85 -0.11 0.20 0.00 0.00 0.00 175.76 175.00 3ite s GLY 272 N -2.79 0.53 -0.03 0.00 0.00 -1.26 -0.70 107.32 103.08 3ite s GLY 272 Ca 0.04 -0.45 -0.23 0.00 0.00 0.00 0.00 44.72 44.08 3ite s GLY 272 CO -0.07 -0.34 0.51 -1.50 0.00 0.00 0.00 173.10 171.70 3ite s ILE 273 N -0.18 0.03 0.26 0.90 2.07 -0.25 -4.87 121.20 119.15 3ite s ILE 273 Ca 0.03 -0.22 -0.26 0.00 -1.41 0.00 0.00 60.65 58.78 3ite s ILE 273 Cb -0.05 -0.82 -0.09 0.00 0.13 0.00 0.00 42.46 41.63 3ite s ILE 273 CO -0.00 -0.12 0.88 0.68 -1.91 0.00 0.00 174.94 174.47 3ite s VAL 274 N -1.28 4.25 -0.21 4.00 -7.23 -1.26 -3.28 120.40 115.38 3ite s VAL 274 Ca -0.12 1.80 0.28 0.00 -1.81 0.00 0.00 61.98 62.13 3ite s VAL 274 Cb -0.02 -4.10 0.35 0.00 0.56 0.00 0.00 36.38 33.17 3ite s VAL 274 CO 0.07 0.31 1.81 1.55 -0.31 0.00 0.00 175.10 178.53 3ite h PRO 275 N 3.67 0.00 0.00 4.82 0.13 -1.85 -1.70 132.00 137.06 3ite h PRO 275 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3ite h PRO 275 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3ite h PRO 275 CO 0.66 0.00 -0.10 0.66 -0.23 0.00 0.00 178.00 178.99 3ite h SER 276 N 0.00 0.00 0.31 1.44 4.64 -1.92 -0.67 113.55 117.35 3ite h SER 276 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3ite h SER 276 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 3ite h SER 276 CO 0.00 0.10 -0.39 0.25 -0.87 0.00 0.00 176.83 175.92 3ite h LEU 277 N 0.00 0.12 -0.32 5.97 5.85 -1.70 0.46 115.31 125.70 3ite h LEU 277 Ca -0.00 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3ite h LEU 277 Cb 0.53 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3ite h LEU 277 CO 0.01 0.51 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.55 3ite h LEU 278 N 0.10 0.55 -0.17 2.25 3.38 -1.24 -1.96 115.31 118.23 3ite h LEU 278 Ca 0.01 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3ite h LEU 278 Cb 0.74 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3ite h LEU 278 CO 0.06 0.73 0.07 0.44 0.09 0.00 0.00 178.44 179.82 3ite h ASP 279 N 0.36 0.10 -0.35 -0.43 3.32 -1.03 -1.48 116.42 116.90 3ite h ASP 279 Ca 0.09 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3ite h ASP 279 Cb 0.44 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3ite h ASP 279 CO 0.02 0.08 0.10 -0.61 -1.72 0.00 0.00 179.24 177.10 3ite h GLN 280 N 0.16 0.56 0.00 3.56 4.15 -0.77 -2.80 115.11 119.97 3ite h GLN 280 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3ite h GLN 280 Cb 0.02 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3ite h GLN 280 CO -0.06 0.60 0.00 0.25 -1.93 0.00 0.00 178.83 177.69 3ite n THR 281 N -4.62 0.17 -1.60 2.39 -2.24 -0.75 -4.91 114.28 102.71 3ite n THR 281 Ca -0.01 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 3ite n THR 281 Cb 0.19 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 3ite n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ite n GLY 282 N 1.36 1.07 3.70 3.38 0.00 -0.59 -4.94 105.19 109.17 3ite n GLY 282 Ca 0.06 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 3ite n GLY 282 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ite n LEU 283 N -1.67 3.52 -4.56 0.99 7.94 -1.04 -5.02 117.00 117.16 3ite n LEU 283 Ca -0.14 1.15 -0.26 0.00 -1.11 0.00 0.00 56.01 55.65 3ite n LEU 283 Cb 0.49 -1.48 -0.11 0.00 0.53 0.00 0.00 43.42 42.86 3ite n LEU 283 CO 0.21 -0.31 -0.28 0.68 -1.11 0.00 0.00 177.39 176.58 3ite s VAL 284 N -0.20 1.64 0.53 1.96 -7.23 -1.26 -4.92 120.40 110.92 3ite s VAL 284 Ca 0.65 -2.00 0.23 0.00 -1.81 0.00 0.00 61.98 59.05 3ite s VAL 284 Cb -0.60 -2.88 0.36 0.00 0.56 0.00 0.00 36.38 33.82 3ite s VAL 284 CO 0.51 0.00 2.05 -0.65 -0.31 0.00 0.00 175.10 176.70 3ite h PRO 285 N 1.89 0.00 0.00 4.82 0.11 -1.93 0.46 132.00 137.35 3ite h PRO 285 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ite h PRO 285 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ite h PRO 285 CO 0.76 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 3ite n GLU 286 N -4.40 0.24 0.18 1.05 4.71 -1.26 -1.44 120.64 119.72 3ite n GLU 286 Ca 0.05 0.34 0.14 0.00 -0.01 0.00 0.00 57.16 57.68 3ite n GLU 286 Cb 0.43 -1.86 0.49 0.00 -1.01 0.00 0.00 31.44 29.49 3ite n GLU 286 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3ite h ASP 287 N 0.00 0.00 -2.36 1.62 3.32 -1.29 -3.36 116.42 114.34 3ite h ASP 287 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3ite h ASP 287 Cb 0.55 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.69 3ite h ASP 287 CO 0.00 0.00 -0.74 0.00 -1.72 0.00 0.00 179.24 176.78 3ite n ALA 288 N -1.92 3.45 0.29 3.45 0.00 -0.52 -3.68 120.51 121.57 3ite n ALA 288 Ca 0.03 -4.25 0.15 0.00 0.00 0.00 0.00 53.44 49.37 3ite n ALA 288 Cb 0.33 -0.89 0.86 0.00 0.00 0.00 0.00 19.45 19.74 3ite n ALA 288 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ite h PRO 289 N 4.55 0.00 -0.02 0.00 0.11 -1.73 -2.07 132.00 132.84 3ite h PRO 289 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3ite h PRO 289 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3ite h PRO 289 CO 0.68 0.06 -0.14 0.72 -0.21 0.00 0.00 178.00 179.10 3ite n HIS 290 N -3.64 0.00 -1.93 0.65 8.25 -1.26 -4.98 115.22 112.31 3ite n HIS 290 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3ite n HIS 290 Cb 0.16 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3ite n HIS 290 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3ite s LEU 291 N -2.17 4.37 -0.00 2.41 2.96 -0.78 -4.23 118.68 121.24 3ite s LEU 291 Ca 0.27 2.64 0.02 0.00 -0.22 0.00 0.00 54.13 56.84 3ite s LEU 291 Cb 0.20 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.27 3ite s LEU 291 CO 0.40 -0.82 0.06 1.33 -1.32 0.00 0.00 176.35 176.00 3ite n VAL 292 N 3.80 0.00 -3.73 1.68 0.24 0.48 -4.38 118.33 116.42 3ite n VAL 292 Ca 0.13 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 3ite n VAL 292 Cb 0.38 0.76 -0.12 0.00 -1.47 0.00 0.00 33.84 33.39 3ite n VAL 292 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ite s TYR 293 N -1.60 -0.37 -0.20 6.34 5.04 -1.07 -1.04 117.35 124.44 3ite s TYR 293 Ca 0.00 0.86 -0.03 0.00 -2.44 0.00 0.00 57.07 55.46 3ite s TYR 293 Cb 0.01 0.09 0.07 0.00 0.35 0.00 0.00 41.96 42.48 3ite s TYR 293 CO 0.08 -0.24 0.06 -1.17 -1.34 0.00 0.00 175.55 172.94 3ite s LEU 294 N 1.12 0.94 0.01 6.97 2.96 0.28 -2.41 118.68 128.55 3ite s LEU 294 Ca -0.08 -0.85 -0.23 0.00 -0.22 0.00 0.00 54.13 52.74 3ite s LEU 294 Cb -0.09 -0.48 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 3ite s LEU 294 CO -0.08 -0.34 0.70 -0.83 -1.32 0.00 0.00 176.35 174.48 3ite s GLY 295 N 1.95 2.70 0.19 7.98 0.00 0.13 -1.72 107.32 118.56 3ite s GLY 295 Ca 0.02 0.17 0.11 0.00 0.00 0.00 0.00 44.72 45.02 3ite s GLY 295 CO -0.12 1.00 -0.23 -1.34 0.00 0.00 0.00 173.10 172.41 3ite s VAL 296 N 0.07 2.29 0.01 1.40 -7.23 0.45 -1.09 120.40 116.30 3ite s VAL 296 Ca 0.36 -2.04 -0.28 0.00 -1.81 0.00 0.00 61.98 58.21 3ite s VAL 296 Cb -0.19 -2.10 0.10 0.00 0.56 0.00 0.00 36.38 34.75 3ite s VAL 296 CO 0.20 -0.16 1.25 -0.83 -0.31 0.00 0.00 175.10 175.25 3ite s GLY 297 N -2.72 -0.20 0.00 2.32 0.00 -1.21 -0.42 107.32 105.09 3ite s GLY 297 Ca 0.21 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3ite s GLY 297 CO 0.10 3.32 0.00 0.61 0.00 0.00 0.00 173.10 177.13 3ite n GLY 298 N -0.73 2.95 3.57 0.20 0.00 -1.26 -4.32 105.19 105.59 3ite n GLY 298 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3ite n GLY 298 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ite s GLU 299 N -0.88 1.11 0.00 1.61 -1.05 -1.26 -5.08 118.70 113.15 3ite s GLU 299 Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 3ite s GLU 299 Cb 0.00 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 3ite s GLU 299 CO 0.00 -0.49 0.00 1.17 0.95 0.00 0.00 175.26 176.89 3ite n LYS 300 N -0.35 2.32 -4.43 -4.83 4.81 -1.26 -4.75 118.16 109.68 3ite n LYS 300 Ca -0.10 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.09 3ite n LYS 300 Cb 0.62 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.57 3ite n LYS 300 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3ite s THR 302 N 0.00 2.57 0.27 3.15 -4.23 -1.26 -4.85 115.64 111.29 3ite s THR 302 Ca 0.00 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 58.34 3ite s THR 302 Cb 0.00 -2.30 0.26 0.00 1.34 0.00 0.00 72.50 71.80 3ite s THR 302 CO 0.00 -0.27 1.77 -0.65 -0.54 0.00 0.00 174.62 174.93 3ite h PRO 303 N 2.63 0.68 -0.46 3.99 0.11 -2.04 -1.72 132.00 135.20 3ite h PRO 303 Ca -0.43 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3ite h PRO 303 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3ite h PRO 303 CO 0.55 0.45 -0.22 -0.09 -0.21 0.00 0.00 178.00 178.48 3ite h ARG 304 N 0.70 0.94 -0.27 1.05 2.43 -2.05 -1.98 114.38 115.20 3ite h ARG 304 Ca 0.49 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3ite h ARG 304 Cb 0.68 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 3ite h ARG 304 CO -0.35 1.06 0.06 1.15 -1.51 0.00 0.00 179.97 180.38 3ite h THR 305 N 0.81 0.88 -0.61 0.20 2.02 -1.76 -0.64 112.91 113.82 3ite h THR 305 Ca 0.11 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.32 3ite h THR 305 Cb 0.78 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 3ite h THR 305 CO 0.07 0.03 0.24 -0.61 0.37 0.00 0.00 175.52 175.61 3ite h GLN 306 N 0.17 0.41 -0.36 6.66 4.15 -1.29 -0.70 115.11 124.15 3ite h GLN 306 Ca 0.13 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3ite h GLN 306 Cb 0.12 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3ite h GLN 306 CO -0.16 0.27 0.09 1.96 -1.93 0.00 0.00 178.83 179.07 3ite h GLN 307 N 0.42 0.56 -0.54 1.69 4.20 -0.79 -0.40 115.11 120.26 3ite h GLN 307 Ca 0.31 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 3ite h GLN 307 Cb 0.37 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3ite h GLN 307 CO -0.30 0.60 -0.10 0.82 -0.67 0.00 0.00 178.83 179.19 3ite h ILE 308 N 0.42 1.27 0.00 2.54 1.08 -0.79 -3.37 117.51 118.67 3ite h ILE 308 Ca 0.11 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 3ite h ILE 308 Cb 0.29 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 3ite h ILE 308 CO -0.00 0.44 -1.11 0.79 -0.69 0.00 0.00 178.15 177.58 3ite n TRP 309 N -4.17 0.00 1.19 1.37 7.02 -0.30 -4.50 117.44 118.05 3ite n TRP 309 Ca 0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.62 3ite n TRP 309 Cb 0.40 -0.14 0.25 0.00 -2.42 0.00 0.00 31.31 29.39 3ite n TRP 309 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3ite n SER 310 N -1.63 1.95 -0.46 -0.99 3.41 -0.17 -4.06 113.62 111.66 3ite n SER 310 Ca 0.00 -1.52 0.09 0.00 -0.26 0.00 0.00 58.87 57.19 3ite n SER 310 Cb 0.30 0.14 0.20 0.00 -0.26 0.00 0.00 64.21 64.58 3ite n SER 310 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ite n SER 311 N 0.29 3.07 -4.84 4.04 3.41 -1.26 -4.08 113.62 114.25 3ite n SER 311 Ca 0.14 -3.04 -0.33 0.00 -0.26 0.00 0.00 58.87 55.38 3ite n SER 311 Cb 0.45 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 3ite n SER 311 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ite s SER 312 N -2.41 6.84 0.00 4.04 0.15 -1.26 -4.95 113.70 116.11 3ite s SER 312 Ca 0.36 1.28 0.24 0.00 0.70 0.00 0.00 55.95 58.53 3ite s SER 312 Cb 0.31 -2.37 0.33 0.00 -1.71 0.00 0.00 66.02 62.58 3ite s SER 312 CO 0.06 -0.12 1.35 -0.90 1.20 0.00 0.00 173.24 174.82 3ite n ASP 313 N -0.03 3.13 -0.13 5.45 5.68 -1.26 -4.41 116.55 124.98 3ite n ASP 313 Ca 0.01 -1.98 -0.20 0.00 -0.50 0.00 0.00 54.79 52.13 3ite n ASP 313 Cb 0.52 -0.11 -0.11 0.00 -1.14 0.00 0.00 41.12 40.28 3ite n ASP 313 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3ite n ARG 314 N 1.36 0.61 -3.67 0.11 0.63 -1.26 -4.95 116.66 109.48 3ite n ARG 314 Ca 0.17 0.17 -0.36 0.00 -0.92 0.00 0.00 57.85 56.90 3ite n ARG 314 Cb 0.59 -1.48 -0.09 0.00 0.45 0.00 0.00 32.46 31.93 3ite n ARG 314 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ite s VAL 315 N -2.49 5.37 -0.14 5.15 1.01 -1.26 -4.43 120.40 123.60 3ite s VAL 315 Ca -0.34 0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 3ite s VAL 315 Cb 0.10 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3ite s VAL 315 CO 0.55 0.36 0.67 0.00 0.00 0.00 0.00 175.10 176.68 3ite s ALA 316 N 0.89 3.46 -0.16 5.51 0.00 -0.21 -4.51 121.76 126.75 3ite s ALA 316 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 3ite s ALA 316 Cb -0.13 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3ite s ALA 316 CO 0.03 -0.37 -0.02 -1.17 0.00 0.00 0.00 175.76 174.23 3ite s LEU 317 N 1.46 3.35 -0.06 0.00 2.96 -1.26 -0.56 118.68 124.57 3ite s LEU 317 Ca 0.33 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 3ite s LEU 317 Cb -0.16 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.73 3ite s LEU 317 CO 0.13 0.16 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.60 3ite s VAL 318 N 0.42 0.54 0.02 1.68 1.01 -0.70 -0.53 120.40 122.83 3ite s VAL 318 Ca -0.02 -0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 3ite s VAL 318 Cb -0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 3ite s VAL 318 CO 0.02 0.25 0.67 0.21 0.00 0.00 0.00 175.10 176.26 3ite s ASN 319 N 1.37 7.08 -0.08 3.32 2.47 -0.00 -0.41 114.94 128.69 3ite s ASN 319 Ca -0.04 1.29 0.03 0.00 0.42 0.00 0.00 52.86 54.56 3ite s ASN 319 Cb -0.13 -2.41 0.01 0.00 -1.45 0.00 0.00 41.25 37.26 3ite s ASN 319 CO -0.03 0.06 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.57 3ite s VAL 320 N -0.11 1.40 -0.19 -5.21 1.01 0.43 -1.83 120.40 115.91 3ite s VAL 320 Ca 0.34 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3ite s VAL 320 Cb -0.19 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3ite s VAL 320 CO 0.20 0.41 -0.01 -0.47 0.00 0.00 0.00 175.10 175.23 3ite s TYR 321 N 0.57 3.04 -0.50 5.22 5.04 0.08 -4.26 117.35 126.54 3ite s TYR 321 Ca -0.16 -0.40 0.07 0.00 -2.44 0.00 0.00 57.07 54.14 3ite s TYR 321 Cb -0.16 -2.05 0.21 0.00 0.35 0.00 0.00 41.96 40.30 3ite s TYR 321 CO 0.05 -0.17 0.79 0.41 -1.34 0.00 0.00 175.55 175.29 3ite n GLY 322 N 4.04 -0.25 3.70 8.97 0.00 -1.26 -1.03 105.19 119.37 3ite n GLY 322 Ca -0.17 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3ite n GLY 322 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ite n PRO 323 N 2.36 2.15 -0.34 1.61 -0.02 -1.26 -4.61 135.00 134.89 3ite n PRO 323 Ca 0.14 0.75 0.19 0.00 -2.02 0.00 0.00 63.50 62.57 3ite n PRO 323 Cb 0.59 -2.35 0.41 0.00 -0.02 0.00 0.00 33.50 32.13 3ite n PRO 323 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ite h THR 324 N 2.54 0.53 0.00 3.45 2.02 -1.97 -1.11 112.91 118.37 3ite h THR 324 Ca -0.46 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3ite h THR 324 Cb 1.28 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3ite h THR 324 CO 0.62 0.10 0.00 -0.62 0.37 0.00 0.00 175.52 175.99 3ite n GLU 325 N -4.83 0.06 -2.24 6.66 4.71 -1.26 -2.23 120.64 121.51 3ite n GLU 325 Ca 0.27 0.34 -0.19 0.00 -0.01 0.00 0.00 57.16 57.57 3ite n GLU 325 Cb 0.78 -1.62 0.02 0.00 -1.01 0.00 0.00 31.44 29.61 3ite n GLU 325 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3ite n VAL 326 N -1.73 2.23 -3.36 2.62 0.31 -0.42 -1.20 118.33 116.77 3ite n VAL 326 Ca 0.02 -4.01 -0.13 0.00 -0.01 0.00 0.00 64.34 60.21 3ite n VAL 326 Cb 0.16 -0.63 0.02 0.00 -0.91 0.00 0.00 33.84 32.47 3ite n VAL 326 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3ite n THR 327 N -0.65 -7.77 0.00 2.52 -1.04 -0.94 -4.20 114.28 102.21 3ite n THR 327 Ca 0.35 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3ite n THR 327 Cb 0.90 -5.53 0.00 0.00 -1.82 0.00 0.00 70.33 63.88 3ite n THR 327 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3ite n ILE 328 N -2.55 0.00 -3.33 12.58 5.41 -1.25 -4.57 119.36 125.64 3ite n ILE 328 Ca -0.10 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.63 3ite n ILE 328 Cb 0.57 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.46 3ite n ILE 328 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3ite s GLY 329 N 0.00 -0.69 0.00 7.39 0.00 -1.26 -4.15 107.32 108.61 3ite s GLY 329 Ca 0.00 1.54 0.10 0.00 0.00 0.00 0.00 44.72 46.36 3ite s GLY 329 CO 0.00 2.98 0.66 0.00 0.00 0.00 0.00 173.10 176.74 3ite s SER 331 N -1.36 -0.22 0.09 0.00 0.15 -1.09 -0.86 113.70 110.42 3ite s SER 331 Ca 0.09 0.34 -0.24 0.00 0.70 0.00 0.00 55.95 56.84 3ite s SER 331 Cb 0.08 0.45 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 3ite s SER 331 CO 0.25 -0.21 0.58 0.00 1.20 0.00 0.00 173.24 175.07 3ite s ALA 332 N -0.39 -1.51 0.01 5.45 0.00 -0.77 -0.74 121.76 123.80 3ite s ALA 332 Ca -0.05 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 3ite s ALA 332 Cb -0.03 0.60 0.05 0.00 0.00 0.00 0.00 23.12 23.73 3ite s ALA 332 CO 0.01 -0.63 0.50 0.20 0.00 0.00 0.00 175.76 175.85 3ite s GLY 333 N -2.30 -0.39 0.33 0.00 0.00 -0.76 -1.39 107.32 102.81 3ite s GLY 333 Ca -0.02 0.69 -0.29 0.00 0.00 0.00 0.00 44.72 45.10 3ite s GLY 333 CO -0.06 0.40 1.31 -1.60 0.00 0.00 0.00 173.10 173.14 3ite s ARG 334 N -1.91 4.36 -0.22 2.90 3.52 -1.26 -0.82 118.95 125.51 3ite s ARG 334 Ca -0.08 2.21 -0.07 0.00 -0.13 0.00 0.00 55.73 57.66 3ite s ARG 334 Cb -0.01 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 3ite s ARG 334 CO 0.02 -0.19 0.05 0.42 -0.81 0.00 0.00 175.30 174.80 3ite s ILE 335 N -1.08 4.40 0.45 4.11 -1.09 0.31 -4.87 121.20 123.44 3ite s ILE 335 Ca 0.49 -0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.82 3ite s ILE 335 Cb -0.40 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.43 3ite s ILE 335 CO 0.52 0.39 0.20 -0.76 -1.23 0.00 0.00 174.94 174.06 3ite s LEU 336 N 1.09 2.93 0.54 2.97 1.43 -1.26 -4.61 118.68 121.77 3ite s LEU 336 Ca 0.04 -1.19 0.20 0.00 -1.03 0.00 0.00 54.13 52.15 3ite s LEU 336 Cb -0.14 -1.30 1.44 0.00 0.03 0.00 0.00 46.19 46.22 3ite s LEU 336 CO 0.03 -0.69 2.18 -0.65 0.23 0.00 0.00 176.35 177.45 3ite h PRO 337 N 1.29 0.00 -0.25 1.29 0.11 -1.89 -0.15 132.00 132.41 3ite h PRO 337 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ite h PRO 337 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ite h PRO 337 CO 0.68 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3ite n ASP 338 N -4.33 2.98 -4.76 -2.05 5.75 -1.26 -4.96 116.55 107.91 3ite n ASP 338 Ca -0.03 -1.93 -0.38 0.00 -0.01 0.00 0.00 54.79 52.44 3ite n ASP 338 Cb 0.10 -0.15 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 3ite n ASP 338 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3ite s SER 339 N -1.65 5.99 0.14 -1.12 0.01 -0.07 -5.00 113.70 112.00 3ite s SER 339 Ca 0.35 2.58 -0.30 0.00 1.31 0.00 0.00 55.95 59.89 3ite s SER 339 Cb 0.21 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 3ite s SER 339 CO 0.31 -1.06 1.18 -0.62 0.41 0.00 0.00 173.24 173.46 3ite s ASP 340 N -0.99 7.11 0.00 2.44 -1.08 -1.26 -4.91 116.67 117.98 3ite s ASP 340 Ca 0.63 2.14 0.25 0.00 -0.52 0.00 0.00 52.55 55.04 3ite s ASP 340 Cb -0.36 -2.60 1.10 0.00 -1.46 0.00 0.00 42.92 39.61 3ite s ASP 340 CO 0.44 -0.38 1.81 0.35 0.52 0.00 0.00 175.17 177.91 3ite n THR 341 N 2.97 0.27 1.09 1.71 -2.24 -1.26 -1.82 114.28 115.00 3ite n THR 341 Ca 0.06 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 3ite n THR 341 Cb 0.45 -0.64 0.48 0.00 -2.10 0.00 0.00 70.33 68.53 3ite n THR 341 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ite n ARG 342 N -1.46 0.16 -2.08 -0.78 1.74 -1.26 -4.87 116.66 108.10 3ite n ARG 342 Ca 0.07 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 3ite n ARG 342 Cb 0.28 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3ite n ARG 342 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ite n ILE 344 N 5.16 1.56 -3.62 0.00 -5.35 0.25 -4.79 119.36 112.57 3ite n ILE 344 Ca 0.16 -1.27 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 3ite n ILE 344 Cb 0.43 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 3ite n ILE 344 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ite n GLY 345 N 0.52 0.25 3.43 3.28 0.00 -1.24 -2.08 105.19 109.35 3ite n GLY 345 Ca 0.19 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 3ite n GLY 345 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ite s HIS 346 N 0.00 2.36 0.58 1.61 3.76 -0.48 -1.45 115.29 121.68 3ite s HIS 346 Ca 0.00 -0.34 -0.20 0.00 -0.15 0.00 0.00 55.06 54.36 3ite s HIS 346 Cb 0.00 -1.23 -0.03 0.00 1.11 0.00 0.00 32.58 32.43 3ite s HIS 346 CO 0.00 0.41 1.31 -2.14 -0.85 0.00 0.00 174.74 173.47 3ite s PRO 347 N -2.33 2.94 0.10 8.40 0.02 -1.26 -1.86 135.00 141.02 3ite s PRO 347 Ca 0.18 2.11 -0.08 0.00 0.02 0.00 0.00 61.00 63.23 3ite s PRO 347 Cb -0.09 -2.08 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 3ite s PRO 347 CO 0.08 -1.31 0.38 -0.51 -0.33 0.00 0.00 177.00 175.32 3ite s LEU 348 N -3.86 4.31 0.00 -5.54 1.43 -0.04 -4.82 118.68 110.16 3ite s LEU 348 Ca 0.76 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3ite s LEU 348 Cb -0.38 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3ite s LEU 348 CO 0.43 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.74 3ite n GLY 349 N 0.57 3.44 0.76 -3.19 0.00 -1.26 -1.45 105.19 104.06 3ite n GLY 349 Ca -0.06 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.93 3ite n GLY 349 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ite n ASP 350 N 4.25 2.20 -4.76 1.61 5.68 -1.26 -4.94 116.55 119.33 3ite n ASP 350 Ca 0.00 -2.04 -0.37 0.00 -0.50 0.00 0.00 54.79 51.88 3ite n ASP 350 Cb 0.00 -0.29 0.03 0.00 -1.14 0.00 0.00 41.12 39.72 3ite n ASP 350 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3ite s SER 351 N -0.95 5.43 -0.10 -1.12 0.01 -0.53 -4.69 113.70 111.76 3ite s SER 351 Ca 0.26 2.46 0.02 0.00 1.31 0.00 0.00 55.95 60.00 3ite s SER 351 Cb 0.14 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.78 3ite s SER 351 CO 0.17 -1.43 -0.16 -0.69 0.41 0.00 0.00 173.24 171.54 3ite s VAL 352 N -1.51 1.51 -0.07 3.43 1.01 0.11 -4.73 120.40 120.15 3ite s VAL 352 Ca 0.73 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 3ite s VAL 352 Cb -0.32 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3ite s VAL 352 CO 0.37 0.44 0.33 0.00 0.00 0.00 0.00 175.10 176.24 3ite s ALA 353 N 0.78 3.70 0.09 5.51 0.00 -1.26 -1.26 121.76 129.32 3ite s ALA 353 Ca -0.11 -0.36 0.09 0.00 0.00 0.00 0.00 51.96 51.58 3ite s ALA 353 Cb -0.16 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 3ite s ALA 353 CO 0.02 0.39 -0.24 -1.01 0.00 0.00 0.00 175.76 174.91 3ite s HIS 354 N -0.59 2.09 -0.23 0.00 3.76 -0.29 -5.00 115.29 115.03 3ite s HIS 354 Ca 0.20 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 3ite s HIS 354 Cb -0.15 -1.18 0.03 0.00 1.11 0.00 0.00 32.58 32.39 3ite s HIS 354 CO 0.09 0.22 -0.11 0.08 -0.85 0.00 0.00 174.74 174.17 3ite s VAL 355 N -0.99 2.51 0.20 -0.90 1.01 -1.26 -1.24 120.40 119.74 3ite s VAL 355 Ca 0.10 -1.11 0.10 0.00 0.00 0.00 0.00 61.98 61.08 3ite s VAL 355 Cb -0.10 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3ite s VAL 355 CO 0.04 0.26 -0.16 -0.76 0.00 0.00 0.00 175.10 174.48 3ite s LEU 356 N 1.27 2.73 0.25 3.92 1.43 -0.78 -1.63 118.68 125.87 3ite s LEU 356 Ca -0.00 -0.75 -0.31 0.00 -1.03 0.00 0.00 54.13 52.04 3ite s LEU 356 Cb -0.16 -1.40 -0.13 0.00 0.03 0.00 0.00 46.19 44.53 3ite s LEU 356 CO -0.07 0.10 1.52 0.00 0.23 0.00 0.00 176.35 178.13 3ite n ALA 357 N -0.02 1.78 -0.41 4.21 0.00 -0.16 -1.43 120.51 124.47 3ite n ALA 357 Ca -0.10 0.40 0.35 0.00 0.00 0.00 0.00 53.44 54.08 3ite n ALA 357 Cb 0.56 -2.37 0.66 0.00 0.00 0.00 0.00 19.45 18.30 3ite n ALA 357 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ite h PRO 358 N 4.84 0.14 -0.03 0.00 0.11 -1.92 -2.27 132.00 132.86 3ite h PRO 358 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ite h PRO 358 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ite h PRO 358 CO 0.80 0.09 -0.05 0.41 -0.21 0.00 0.00 178.00 179.04 3ite n GLY 359 N -1.62 0.89 0.00 -0.55 0.00 -1.26 -5.00 105.19 97.65 3ite n GLY 359 Ca 0.32 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3ite n GLY 359 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ite n SER 360 N 1.20 0.19 -1.18 1.61 3.41 -0.86 -5.04 113.62 112.96 3ite n SER 360 Ca 0.14 -0.77 0.09 0.00 -0.26 0.00 0.00 58.87 58.07 3ite n SER 360 Cb 0.58 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.81 3ite n SER 360 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ite n ASN 361 N -2.15 4.01 -4.70 4.04 3.02 -1.26 -4.53 115.26 113.68 3ite n ASN 361 Ca 0.00 -2.36 -0.42 0.00 -0.03 0.00 0.00 54.58 51.77 3ite n ASN 361 Cb 0.00 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 3ite n ASN 361 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ite s GLU 362 N -1.66 4.50 0.40 3.52 0.41 -1.26 -4.92 118.70 119.69 3ite s GLU 362 Ca 0.42 1.34 -0.26 0.00 -0.41 0.00 0.00 54.97 56.05 3ite s GLU 362 Cb 0.26 -3.49 -0.09 0.00 -1.78 0.00 0.00 34.13 29.04 3ite s GLU 362 CO 0.21 -0.13 1.29 -1.01 -0.49 0.00 0.00 175.26 175.13 3ite s HIS 363 N 1.33 2.84 0.42 1.61 3.76 -1.26 -0.99 115.29 123.00 3ite s HIS 363 Ca 0.49 1.42 -0.04 0.00 -0.15 0.00 0.00 55.06 56.78 3ite s HIS 363 Cb -0.20 -3.65 -0.04 0.00 1.11 0.00 0.00 32.58 29.81 3ite s HIS 363 CO 0.23 -2.03 0.70 0.14 -0.85 0.00 0.00 174.74 172.94 3ite s VAL 364 N -1.27 4.96 0.30 -0.90 -7.23 -0.65 -4.80 120.40 110.81 3ite s VAL 364 Ca 0.57 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.49 3ite s VAL 364 Cb -0.37 -3.84 -0.11 0.00 0.56 0.00 0.00 36.38 32.61 3ite s VAL 364 CO 0.48 -0.69 1.55 -0.54 -0.31 0.00 0.00 175.10 175.58 3ite s LYS 365 N -4.44 4.15 0.21 4.82 1.02 -1.26 -4.89 119.74 119.35 3ite s LYS 365 Ca 0.45 2.52 -0.32 0.00 0.02 0.00 0.00 55.97 58.65 3ite s LYS 365 Cb -0.10 -3.03 -0.14 0.00 -0.52 0.00 0.00 37.83 34.04 3ite s LYS 365 CO 0.40 -0.57 1.33 1.17 -0.92 0.00 0.00 175.35 176.76 3ite n LYS 366 N 1.94 1.73 0.00 1.68 4.81 -1.26 -4.84 118.16 122.22 3ite n LYS 366 Ca 0.07 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 3ite n LYS 366 Cb 0.38 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.20 3ite n LYS 366 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ite n GLY 367 N 2.18 0.65 3.47 3.14 0.00 -1.26 -5.08 105.19 108.28 3ite n GLY 367 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3ite n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ite s ALA 369 N -1.19 2.62 0.04 4.61 0.00 -1.26 -4.97 121.76 121.61 3ite s ALA 369 Ca 0.00 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 3ite s ALA 369 Cb 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.47 3ite s ALA 369 CO 0.00 0.58 0.72 0.41 0.00 0.00 0.00 175.76 177.47 3ite n GLY 370 N 1.30 0.58 3.71 0.00 0.00 -0.40 -4.95 105.19 105.44 3ite n GLY 370 Ca -0.16 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3ite n GLY 370 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ite s GLU 371 N -2.02 4.51 0.02 1.61 2.12 -0.51 -0.66 118.70 123.77 3ite s GLU 371 Ca 0.17 1.23 -0.30 0.00 0.36 0.00 0.00 54.97 56.42 3ite s GLU 371 Cb -0.01 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.87 3ite s GLU 371 CO 0.01 -0.02 1.33 -1.17 -0.54 0.00 0.00 175.26 174.87 3ite s LEU 372 N 0.98 4.33 -0.10 2.70 2.96 -0.34 -1.87 118.68 127.35 3ite s LEU 372 Ca 0.47 2.08 0.01 0.00 -0.22 0.00 0.00 54.13 56.47 3ite s LEU 372 Cb -0.20 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.95 3ite s LEU 372 CO 0.24 -0.65 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.84 3ite s VAL 373 N 1.94 1.12 -0.11 1.68 1.01 -0.37 -1.60 120.40 124.07 3ite s VAL 373 Ca 0.62 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 3ite s VAL 373 Cb -0.31 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3ite s VAL 373 CO 0.27 0.37 0.07 -0.63 0.00 0.00 0.00 175.10 175.18 3ite s ILE 374 N 1.28 4.94 0.13 2.22 -1.09 0.01 -1.13 121.20 127.56 3ite s ILE 374 Ca -0.03 -0.01 0.10 0.00 -2.23 0.00 0.00 60.65 58.48 3ite s ILE 374 Cb -0.14 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 3ite s ILE 374 CO -0.04 0.61 -0.23 -0.70 -1.23 0.00 0.00 174.94 173.35 3ite s GLU 375 N -0.91 1.29 0.00 2.79 2.12 -0.39 -0.60 118.70 122.99 3ite s GLU 375 Ca 0.14 -1.31 0.00 0.00 0.36 0.00 0.00 54.97 54.16 3ite s GLU 375 Cb -0.12 -1.60 0.00 0.00 0.26 0.00 0.00 34.13 32.68 3ite s GLU 375 CO 0.03 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 3ite n GLY 376 N 0.79 0.55 0.00 -1.50 0.00 -1.26 -0.72 105.19 103.06 3ite n GLY 376 Ca -0.17 -2.18 0.08 0.00 0.00 0.00 0.00 46.02 43.75 3ite n GLY 376 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ite n SER 377 N 0.54 0.00 -0.45 1.61 7.64 -1.26 -1.97 113.62 119.72 3ite n SER 377 Ca 0.00 0.22 0.12 0.00 1.01 0.00 0.00 58.87 60.22 3ite n SER 377 Cb 0.00 -0.37 0.10 0.00 -1.01 0.00 0.00 64.21 62.93 3ite n SER 377 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ite n LEU 378 N -1.37 1.82 -4.68 -3.43 4.77 -1.26 -4.11 117.00 108.73 3ite n LEU 378 Ca 0.06 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 3ite n LEU 378 Cb 0.16 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3ite n LEU 378 CO 0.14 0.34 1.07 -0.69 -1.33 0.00 0.00 177.39 176.91 3ite s VAL 379 N -2.46 3.96 1.11 4.08 1.01 -0.83 -3.16 120.40 124.11 3ite s VAL 379 Ca 0.21 1.30 -0.15 0.00 0.00 0.00 0.00 61.98 63.34 3ite s VAL 379 Cb 0.18 -3.83 0.24 0.00 0.00 0.00 0.00 36.38 32.98 3ite s VAL 379 CO 0.54 -0.02 1.07 0.00 0.00 0.00 0.00 175.10 176.69 3ite s ALA 380 N 2.56 0.43 0.22 5.51 0.00 -0.34 -4.95 121.76 125.19 3ite s ALA 380 Ca 0.60 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 3ite s ALA 380 Cb -0.28 -3.08 0.20 0.00 0.00 0.00 0.00 23.12 19.96 3ite s ALA 380 CO 0.24 -3.35 1.59 -0.91 0.00 0.00 0.00 175.76 173.33 3ite h ASN 381 N -2.31 0.64 -2.60 0.00 2.35 -1.30 -3.49 115.58 108.87 3ite h ASN 381 Ca -0.54 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 3ite h ASN 381 Cb 1.33 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.52 3ite h ASN 381 CO 0.50 0.95 0.00 0.61 -1.65 0.00 0.00 177.43 177.84 3ite n GLY 382 N -0.05 0.05 3.85 2.83 0.00 -1.25 -5.00 105.19 105.63 3ite n GLY 382 Ca -0.01 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3ite n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ite s TYR 383 N -2.14 3.39 -0.40 1.61 2.02 -1.26 -1.35 117.35 119.23 3ite s TYR 383 Ca 0.00 1.22 -0.26 0.00 -0.37 0.00 0.00 57.07 57.66 3ite s TYR 383 Cb 0.00 -2.55 0.02 0.00 -0.40 0.00 0.00 41.96 39.03 3ite s TYR 383 CO 0.00 0.02 0.92 -1.17 -1.57 0.00 0.00 175.55 173.75 3ite s LEU 384 N -3.21 4.00 -1.32 -1.29 2.96 0.06 -4.42 118.68 115.46 3ite s LEU 384 Ca 0.54 0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 54.87 3ite s LEU 384 Cb -0.10 -3.23 -0.00 0.00 0.50 0.00 0.00 46.19 43.36 3ite s LEU 384 CO 0.20 -0.91 0.61 0.59 -1.32 0.00 0.00 176.35 175.52 3ite n ASN 385 N 6.88 -1.23 -3.22 3.68 3.02 -1.26 -4.62 115.26 118.50 3ite n ASN 385 Ca 0.07 -0.89 -0.24 0.00 -0.03 0.00 0.00 54.58 53.48 3ite n ASN 385 Cb 0.48 -3.69 -0.07 0.00 -0.61 0.00 0.00 39.78 35.89 3ite n ASN 385 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ite n ARG 386 N -4.29 1.08 0.26 3.52 5.12 -1.26 -4.99 116.66 116.11 3ite n ARG 386 Ca -0.29 -3.50 0.14 0.00 -1.93 0.00 0.00 57.85 52.27 3ite n ARG 386 Cb 0.67 -1.45 0.84 0.00 -1.16 0.00 0.00 32.46 31.37 3ite n ARG 386 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3ite h PRO 387 N 3.91 0.00 0.00 5.56 0.13 -1.93 -1.71 132.00 137.96 3ite h PRO 387 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ite h PRO 387 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3ite h PRO 387 CO 0.53 0.00 -0.35 -0.25 -0.23 0.00 0.00 178.00 177.70 3ite n ASP 388 N -4.00 0.48 -4.67 1.44 8.00 -1.26 -4.83 116.55 111.71 3ite n ASP 388 Ca -0.02 0.15 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 3ite n ASP 388 Cb 0.14 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 3ite n ASP 388 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ite s ALA 389 N -3.06 3.60 0.51 2.24 0.00 -0.64 -5.02 121.76 119.38 3ite s ALA 389 Ca 0.10 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.45 3ite s ALA 389 Cb 0.16 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3ite s ALA 389 CO 0.65 -0.96 0.72 0.15 0.00 0.00 0.00 175.76 176.32 3ite s LYS 390 N 2.91 2.63 0.00 0.00 1.02 -1.26 -4.76 119.74 120.28 3ite s LYS 390 Ca 0.49 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.59 3ite s LYS 390 Cb -0.19 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3ite s LYS 390 CO 0.13 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 3ite n GLY 391 N -2.21 4.01 3.74 -3.33 0.00 -1.26 -5.01 105.19 101.12 3ite n GLY 391 Ca 0.08 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3ite n GLY 391 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ite s PHE 392 N 0.00 3.82 0.18 1.61 0.08 -1.26 -0.56 117.98 121.85 3ite s PHE 392 Ca 0.00 1.73 -0.24 0.00 0.12 0.00 0.00 56.93 58.54 3ite s PHE 392 Cb 0.00 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.53 3ite s PHE 392 CO 0.00 0.26 0.96 0.00 -0.10 0.00 0.00 175.22 176.34 3ite s ASP 394 N -3.05 5.80 -0.14 0.00 1.01 -1.26 -4.49 116.67 114.55 3ite s ASP 394 Ca 0.14 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.50 3ite s ASP 394 Cb -0.02 -2.02 0.02 0.00 1.01 0.00 0.00 42.92 41.92 3ite s ASP 394 CO 0.04 0.13 -0.13 -0.63 0.21 0.00 0.00 175.17 174.78 3ite s ILE 395 N 0.65 1.48 -1.54 0.77 1.01 -0.70 -4.67 121.20 118.20 3ite s ILE 395 Ca 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 3ite s ILE 395 Cb -0.13 -1.39 0.08 0.00 0.01 0.00 0.00 42.46 41.03 3ite s ILE 395 CO 0.01 0.44 0.78 0.59 0.00 0.00 0.00 174.94 176.77 3ite n ASN 396 N 4.71 -3.06 -1.94 3.58 3.02 -1.26 -1.67 115.26 118.63 3ite n ASN 396 Ca -0.17 -0.90 -0.21 0.00 -0.03 0.00 0.00 54.58 53.28 3ite n ASN 396 Cb 0.50 -3.38 -0.05 0.00 -0.61 0.00 0.00 39.78 36.23 3ite n ASN 396 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ite n GLY 397 N -1.64 0.90 3.33 7.41 0.00 -1.26 -5.00 105.19 108.92 3ite n GLY 397 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 3ite n GLY 397 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ite s ARG 398 N -4.30 1.55 0.41 1.61 0.52 -0.67 -5.09 118.95 112.97 3ite s ARG 398 Ca 0.00 -1.13 -0.23 0.00 -0.52 0.00 0.00 55.73 53.84 3ite s ARG 398 Cb 0.00 -1.79 -0.09 0.00 0.52 0.00 0.00 34.95 33.59 3ite s ARG 398 CO 0.00 0.45 1.05 0.21 0.02 0.00 0.00 175.30 177.03 3ite s LYS 399 N -1.48 4.12 -0.14 3.54 2.20 -1.26 -1.71 119.74 125.01 3ite s LYS 399 Ca 0.11 1.49 -0.07 0.00 -0.36 0.00 0.00 55.97 57.13 3ite s LYS 399 Cb -0.10 -2.48 0.05 0.00 -1.51 0.00 0.00 37.83 33.79 3ite s LYS 399 CO 0.03 -0.17 0.33 -0.47 -0.36 0.00 0.00 175.35 174.71 3ite s TYR 401 N -1.71 -0.47 -0.28 4.03 5.04 0.23 -4.04 117.35 120.14 3ite s TYR 401 Ca 0.59 1.05 -0.17 0.00 -2.44 0.00 0.00 57.07 56.10 3ite s TYR 401 Cb -0.21 0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.24 3ite s TYR 401 CO 0.26 -0.29 0.48 1.03 -1.34 0.00 0.00 175.55 175.70 3ite s ARG 402 N 1.33 3.96 0.37 4.97 0.52 0.28 -0.81 118.95 129.57 3ite s ARG 402 Ca -0.09 0.16 0.20 0.00 -0.52 0.00 0.00 55.73 55.47 3ite s ARG 402 Cb -0.09 -3.69 0.31 0.00 0.52 0.00 0.00 34.95 32.00 3ite s ARG 402 CO -0.11 -0.40 1.57 1.79 0.02 0.00 0.00 175.30 178.17 3ite h THR 403 N 5.44 0.43 0.00 0.02 1.35 -1.63 -3.43 112.91 115.10 3ite h THR 403 Ca -0.29 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 3ite h THR 403 Cb 1.14 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3ite h THR 403 CO 0.71 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 3ite n GLY 404 N 1.03 0.58 3.76 5.82 0.00 -1.26 -5.02 105.19 110.10 3ite n GLY 404 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3ite n GLY 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ite s ASP 405 N -2.28 5.66 -0.20 1.61 1.01 -1.26 -0.16 116.67 121.04 3ite s ASP 405 Ca 0.00 0.23 -0.10 0.00 0.71 0.00 0.00 52.55 53.40 3ite s ASP 405 Cb 0.00 -1.67 -0.05 0.00 1.01 0.00 0.00 42.92 42.21 3ite s ASP 405 CO 0.00 0.36 0.13 -0.63 0.21 0.00 0.00 175.17 175.24 3ite s ILE 406 N -1.00 5.31 0.30 0.77 -1.09 0.12 -1.20 121.20 124.42 3ite s ILE 406 Ca 0.16 0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.79 3ite s ILE 406 Cb -0.12 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3ite s ILE 406 CO 0.06 0.43 0.25 0.68 -1.23 0.00 0.00 174.94 175.13 3ite s VAL 407 N 0.49 0.00 0.00 2.92 -7.23 0.16 0.15 120.40 116.89 3ite s VAL 407 Ca 0.07 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3ite s VAL 407 Cb -0.12 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3ite s VAL 407 CO -0.01 0.00 0.00 -2.11 -0.31 0.00 0.00 175.10 172.67 3ite n ARG 408 N -0.55 0.00 -4.46 4.82 1.85 -0.53 -1.27 116.66 116.52 3ite n ARG 408 Ca 0.06 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.69 3ite n ARG 408 Cb 0.63 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.94 3ite n ARG 408 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3ite s ASP 410 N 1.36 2.43 0.37 2.89 -1.08 0.04 -0.66 116.67 122.03 3ite s ASP 410 Ca 0.00 -1.46 0.04 0.00 -0.52 0.00 0.00 52.55 50.61 3ite s ASP 410 Cb 0.00 0.09 0.71 0.00 -1.46 0.00 0.00 42.92 42.26 3ite s ASP 410 CO 0.00 -0.70 2.02 0.00 0.52 0.00 0.00 175.17 177.01 3ite h ALA 411 N 2.03 1.59 -0.23 3.66 0.00 -1.98 -1.85 119.26 122.48 3ite h ALA 411 Ca -0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ite h ALA 411 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ite h ALA 411 CO 0.66 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.88 3ite n ASP 412 N -4.44 1.34 0.00 0.00 5.75 -1.26 -4.90 116.55 113.04 3ite n ASP 412 Ca 0.05 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 3ite n ASP 412 Cb 0.06 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 3ite n ASP 412 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3ite n SER 413 N 0.20 -0.70 -4.78 -1.12 7.64 -0.70 -5.03 113.62 109.12 3ite n SER 413 Ca 0.10 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.68 3ite n SER 413 Cb 0.23 -0.14 0.09 0.00 -1.01 0.00 0.00 64.21 63.38 3ite n SER 413 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ite s SER 414 N -2.76 4.43 -0.12 6.43 1.04 -1.26 -4.79 113.70 116.68 3ite s SER 414 Ca 0.00 1.46 0.01 0.00 0.48 0.00 0.00 55.95 57.90 3ite s SER 414 Cb 0.00 -2.21 -0.01 0.00 0.10 0.00 0.00 66.02 63.90 3ite s SER 414 CO 0.00 -2.03 -0.14 -0.63 0.98 0.00 0.00 173.24 171.42 3ite s ILE 415 N -3.06 2.94 -0.22 -1.02 1.01 -0.53 -0.78 121.20 119.55 3ite s ILE 415 Ca 0.61 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 3ite s ILE 415 Cb -0.15 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 3ite s ILE 415 CO 0.55 0.54 0.15 -0.76 0.00 0.00 0.00 174.94 175.41 3ite s LEU 416 N 0.21 4.14 -0.22 2.97 1.43 0.17 -0.59 118.68 126.79 3ite s LEU 416 Ca -0.09 0.15 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 3ite s LEU 416 Cb -0.15 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3ite s LEU 416 CO 0.05 0.11 0.99 0.12 0.23 0.00 0.00 176.35 177.86 3ite s PHE 417 N 0.79 3.35 -0.19 0.29 2.19 -0.28 -1.45 117.98 122.67 3ite s PHE 417 Ca 0.08 1.42 0.11 0.00 0.33 0.00 0.00 56.93 58.87 3ite s PHE 417 Cb -0.13 -3.22 -0.20 0.00 -1.31 0.00 0.00 43.02 38.17 3ite s PHE 417 CO 0.02 -0.43 -0.02 1.28 1.83 0.00 0.00 175.22 177.89 3ite n LEU 418 N 6.11 0.95 0.00 6.12 4.77 0.12 -4.85 117.00 130.23 3ite n LEU 418 Ca 0.10 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3ite n LEU 418 Cb 0.47 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3ite n LEU 418 CO 0.51 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 3ite n GLY 419 N 2.06 -1.59 3.87 -0.72 0.00 -0.89 -4.98 105.19 102.95 3ite n GLY 419 Ca -0.33 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 3ite n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ite s ARG 420 N -1.86 3.81 0.31 1.61 1.81 -1.26 0.10 118.95 123.48 3ite s ARG 420 Ca 0.00 0.27 -0.29 0.00 -1.72 0.00 0.00 55.73 53.99 3ite s ARG 420 Cb 0.00 -2.73 -0.10 0.00 -0.45 0.00 0.00 34.95 31.67 3ite s ARG 420 CO 0.00 0.37 1.27 0.21 -0.68 0.00 0.00 175.30 176.47 3ite s LYS 421 N -2.61 4.41 0.00 3.54 2.20 0.77 -4.69 119.74 123.37 3ite s LYS 421 Ca 0.44 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 3ite s LYS 421 Cb -0.12 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3ite s LYS 421 CO 0.21 -0.11 0.00 -0.40 -0.36 0.00 0.00 175.35 174.69