#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ite s SER 13 N 0.00 1.21 0.07 3.42 1.04 -1.26 -5.01 113.70 113.18 3ite s SER 13 Ca 0.00 -0.96 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 3ite s SER 13 Cb 0.00 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3ite s SER 13 CO 0.00 -0.42 0.25 0.42 0.98 0.00 0.00 173.24 174.47 3ite s THR 14 N -3.36 0.11 0.71 2.02 -4.23 -1.26 -5.15 115.64 104.48 3ite s THR 14 Ca 0.10 -0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 59.55 3ite s THR 14 Cb 0.03 -1.13 0.03 0.00 1.34 0.00 0.00 72.50 72.77 3ite s THR 14 CO -0.03 -0.51 1.13 0.68 -0.54 0.00 0.00 174.62 175.35 3ite s VAL 15 N -3.26 3.00 0.83 2.29 -7.23 -1.26 -5.03 120.40 109.74 3ite s VAL 15 Ca 0.00 0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 60.49 3ite s VAL 15 Cb 0.02 -2.93 0.09 0.00 0.56 0.00 0.00 36.38 34.12 3ite s VAL 15 CO -0.08 -0.32 1.09 -2.16 -0.31 0.00 0.00 175.10 173.33 3ite s PRO 16 N -4.23 1.82 0.34 4.82 0.05 -1.26 -4.78 135.00 131.76 3ite s PRO 16 Ca 0.67 0.86 0.09 0.00 0.05 0.00 0.00 61.00 62.68 3ite s PRO 16 Cb -0.22 -1.87 0.83 0.00 0.05 0.00 0.00 34.50 33.29 3ite s PRO 16 CO 0.46 -1.86 1.82 -1.35 0.05 0.00 0.00 177.00 176.12 3ite h PRO 17 N -1.28 0.66 -0.53 0.56 0.11 -1.94 -1.56 132.00 128.02 3ite h PRO 17 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ite h PRO 17 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ite h PRO 17 CO 0.55 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 177.65 3ite n SER 18 N -4.63 2.51 -0.25 -2.05 3.41 -1.26 -4.47 113.62 106.88 3ite n SER 18 Ca 0.21 -2.17 -0.03 0.00 -0.26 0.00 0.00 58.87 56.61 3ite n SER 18 Cb 0.56 -0.38 0.08 0.00 -0.26 0.00 0.00 64.21 64.21 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 2.11 0.84 -0.10 7.33 6.17 -1.63 -2.18 115.15 127.69 3ite h HIS 19 Ca 0.00 0.02 -0.20 0.00 0.71 0.00 0.00 60.37 60.91 3ite h HIS 19 Cb 0.78 -0.28 -0.00 0.00 2.52 0.00 0.00 27.41 30.43 3ite h HIS 19 CO 0.36 0.49 -0.75 1.88 0.71 0.00 0.00 177.93 180.62 3ite h TYR 20 N 0.88 0.70 -0.59 5.26 0.05 -1.83 0.31 116.97 121.74 3ite h TYR 20 Ca 0.28 -0.31 0.08 0.00 0.05 0.00 0.00 58.73 58.83 3ite h TYR 20 Cb 0.01 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 37.57 3ite h TYR 20 CO -0.04 1.09 0.26 0.82 -1.05 0.00 0.00 178.16 179.24 3ite h ILE 21 N 0.35 0.84 -0.37 -2.88 2.04 -1.74 -0.48 117.51 115.27 3ite h ILE 21 Ca -0.04 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 3ite h ILE 21 Cb 1.34 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3ite h ILE 21 CO 0.14 0.09 -0.32 -0.33 0.00 0.00 0.00 178.15 177.72 3ite h GLU 22 N 0.47 0.87 0.09 2.37 5.08 -1.02 -1.27 114.58 121.17 3ite h GLU 22 Ca 0.29 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3ite h GLU 22 Cb 0.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3ite h GLU 22 CO -0.25 1.09 -0.09 1.15 -1.00 0.00 0.00 179.01 179.91 3ite h THR 23 N 0.67 0.80 -0.07 1.13 2.02 -0.01 -2.63 112.91 114.82 3ite h THR 23 Ca 0.07 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 3ite h THR 23 Cb 0.90 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3ite h THR 23 CO 0.08 0.00 -0.55 -0.50 0.37 0.00 0.00 175.52 174.92 3ite h TRP 24 N -0.19 0.26 -0.53 3.16 -0.00 -1.13 -1.37 115.95 116.16 3ite h TRP 24 Ca 0.00 -0.09 0.10 0.00 -0.00 0.00 0.00 58.89 58.90 3ite h TRP 24 Cb 0.19 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 29.27 3ite h TRP 24 CO -0.11 0.71 0.36 0.00 -0.00 0.00 0.00 178.44 179.40 3ite h ALA 25 N 1.27 2.13 0.07 1.49 0.00 -1.04 0.14 119.26 123.32 3ite h ALA 25 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3ite h ALA 25 Cb 1.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ite h ALA 25 CO 0.08 -0.25 -1.08 0.87 0.00 0.00 0.00 179.25 178.87 3ite h LYS 26 N 0.28 0.15 0.16 0.00 1.57 -1.01 -3.28 116.57 114.44 3ite h LYS 26 Ca 0.24 -0.26 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 3ite h LYS 26 Cb 0.60 0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.01 3ite h LYS 26 CO -0.05 1.13 -1.49 1.79 -0.57 0.00 0.00 179.45 180.25 3ite h THR 27 N -0.58 1.22 -2.05 -0.16 1.35 -1.16 -3.41 112.91 108.13 3ite h THR 27 Ca -0.25 -2.80 -0.54 0.00 -0.55 0.00 0.00 66.41 62.28 3ite h THR 27 Cb 1.52 2.86 -0.40 0.00 -1.73 0.00 0.00 68.15 70.40 3ite h THR 27 CO -0.00 0.84 -1.04 1.41 -0.25 0.00 0.00 175.52 176.48 3ite n HIS 28 N -3.54 0.69 0.19 4.73 8.25 0.49 -4.99 115.22 121.03 3ite n HIS 28 Ca -0.16 -3.76 0.16 0.00 -0.26 0.00 0.00 57.72 53.70 3ite n HIS 28 Cb 1.06 -0.41 0.78 0.00 1.12 0.00 0.00 29.99 32.54 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 3.58 0.00 -0.00 -0.41 0.13 -1.60 -1.70 132.00 132.00 3ite h PRO 29 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ite h PRO 29 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3ite h PRO 29 CO 0.55 0.00 -0.26 -0.85 -0.23 0.00 0.00 178.00 177.21 3ite n GLU 30 N -4.01 0.13 -1.68 0.86 0.00 -1.26 -2.47 120.64 112.21 3ite n GLU 30 Ca 0.02 -0.05 -0.37 0.00 0.00 0.00 0.00 57.16 56.76 3ite n GLU 30 Cb 0.32 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.33 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 -1.39 1.56 -2.79 -1.84 8.01 -0.64 -4.80 117.44 115.54 3ite n TRP 31 Ca 0.08 0.42 -0.41 0.00 -1.31 0.00 0.00 57.50 56.28 3ite n TRP 31 Cb 0.33 -2.22 -0.04 0.00 -2.01 0.00 0.00 31.31 27.36 3ite n TRP 31 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3ite s LYS 32 N -3.20 4.62 -0.15 -0.99 -0.14 -1.26 -1.09 119.74 117.53 3ite s LYS 32 Ca 0.81 1.34 0.03 0.00 -1.36 0.00 0.00 55.97 56.78 3ite s LYS 32 Cb -0.39 -3.39 -0.11 0.00 -1.68 0.00 0.00 37.83 32.27 3ite s LYS 32 CO 0.42 0.18 -0.11 0.00 -0.76 0.00 0.00 175.35 175.09 3ite n ALA 33 N 3.01 1.68 -3.06 5.17 0.00 -0.20 -3.38 120.51 123.72 3ite n ALA 33 Ca 0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 3ite n ALA 33 Cb 0.50 0.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.30 0.07 -0.14 0.00 -7.23 -1.17 -0.42 120.40 109.21 3ite s VAL 34 Ca -0.18 -0.59 -0.09 0.00 -1.81 0.00 0.00 61.98 59.31 3ite s VAL 34 Cb 0.05 -0.35 0.05 0.00 0.56 0.00 0.00 36.38 36.69 3ite s VAL 34 CO 0.37 -0.32 0.35 -0.70 -0.31 0.00 0.00 175.10 174.49 3ite s GLU 35 N -1.10 0.35 -0.05 4.82 2.12 -0.05 -1.04 118.70 123.75 3ite s GLU 35 Ca -0.12 0.62 0.06 0.00 0.36 0.00 0.00 54.97 55.90 3ite s GLU 35 Cb -0.07 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 3ite s GLU 35 CO 0.01 -0.12 -0.25 0.14 -0.54 0.00 0.00 175.26 174.50 3ite s VAL 36 N 0.97 2.10 -0.20 3.70 -7.23 0.13 -1.79 120.40 118.08 3ite s VAL 36 Ca -0.06 -1.06 -0.05 0.00 -1.81 0.00 0.00 61.98 59.00 3ite s VAL 36 Cb -0.07 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 3ite s VAL 36 CO -0.07 0.57 0.00 0.00 -0.31 0.00 0.00 175.10 175.29 3ite s ALA 37 N -0.25 3.04 0.53 1.32 0.00 0.26 -1.57 121.76 125.10 3ite s ALA 37 Ca -0.01 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3ite s ALA 37 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.24 3ite s ALA 37 CO 0.03 -0.13 0.24 0.99 0.00 0.00 0.00 175.76 176.88 3ite s THR 38 N 0.97 1.44 0.00 0.00 2.01 0.41 -4.43 115.64 116.04 3ite s THR 38 Ca 0.01 -1.70 0.00 0.00 0.31 0.00 0.00 61.69 60.31 3ite s THR 38 Cb -0.14 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.23 3ite s THR 38 CO 0.02 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 3ite n GLY 39 N -1.56 1.22 3.02 4.40 0.00 -1.26 -0.31 105.19 110.71 3ite n GLY 39 Ca -0.09 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.29 -3.66 1.61 3.72 -1.26 -4.99 117.46 110.59 3ite n PHE 40 Ca 0.00 0.82 -0.18 0.00 -0.05 0.00 0.00 57.45 58.04 3ite n PHE 40 Cb 0.00 -3.93 -0.16 0.00 -0.94 0.00 0.00 39.48 34.45 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 -3.28 -0.23 0.03 4.37 1.01 -1.26 -5.13 121.20 116.71 3ite s ILE 46 Ca 0.33 0.33 -0.16 0.00 0.00 0.00 0.00 60.65 61.15 3ite s ILE 46 Cb -0.04 -0.30 -0.06 0.00 0.01 0.00 0.00 42.46 42.07 3ite s ILE 46 CO 0.66 0.13 0.47 -0.69 0.00 0.00 0.00 174.94 175.50 3ite s VAL 47 N 2.27 4.93 0.08 2.92 1.01 0.58 -4.92 120.40 127.26 3ite s VAL 47 Ca 0.04 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.98 3ite s VAL 47 Cb -0.12 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3ite s VAL 47 CO -0.06 0.55 -0.06 0.42 0.00 0.00 0.00 175.10 175.95 3ite s THR 48 N -1.11 0.57 0.02 3.92 -4.23 -1.26 0.16 115.64 113.70 3ite s THR 48 Ca 0.26 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3ite s THR 48 Cb -0.17 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 3ite s THR 48 CO 0.16 -0.81 -0.05 -1.83 -0.54 0.00 0.00 174.62 171.55 3ite s GLU 49 N -3.43 0.37 0.15 3.99 -1.05 -0.61 -4.98 118.70 113.15 3ite s GLU 49 Ca 0.07 -0.54 -0.05 0.00 -0.15 0.00 0.00 54.97 54.31 3ite s GLU 49 Cb 0.03 -0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.56 3ite s GLU 49 CO -0.05 0.02 0.16 0.16 0.95 0.00 0.00 175.26 176.50 3ite s ASP 50 N -1.15 0.19 0.01 0.83 1.47 -1.26 -0.69 116.67 116.06 3ite s ASP 50 Ca -0.09 -1.06 0.08 0.00 1.18 0.00 0.00 52.55 52.66 3ite s ASP 50 Cb -0.08 0.36 -0.02 0.00 -0.34 0.00 0.00 42.92 42.84 3ite s ASP 50 CO -0.00 -0.80 -0.24 0.26 0.68 0.00 0.00 175.17 175.07 3ite s TRP 51 N -4.01 2.14 1.00 2.11 0.51 -0.20 -5.00 118.94 115.49 3ite s TRP 51 Ca 0.21 -0.40 -0.12 0.00 -2.12 0.00 0.00 56.10 53.67 3ite s TRP 51 Cb 0.06 -1.34 0.19 0.00 -0.81 0.00 0.00 33.47 31.56 3ite s TRP 51 CO 0.01 0.02 1.08 0.95 -0.51 0.00 0.00 176.95 178.50 3ite s THR 52 N -0.65 2.28 0.31 2.01 -4.23 -1.26 -1.03 115.64 113.07 3ite s THR 52 Ca 0.10 0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 60.70 3ite s THR 52 Cb -0.09 -2.36 0.27 0.00 1.34 0.00 0.00 72.50 71.66 3ite s THR 52 CO 0.00 -0.12 1.96 1.88 -0.54 0.00 0.00 174.62 177.80 3ite h TYR 53 N -2.00 0.99 -0.35 3.99 0.05 -1.10 -0.53 116.97 118.03 3ite h TYR 53 Ca -0.53 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.24 3ite h TYR 53 Cb 1.30 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 3ite h TYR 53 CO 0.37 0.59 0.09 -0.22 -1.05 0.00 0.00 178.16 177.94 3ite h LYS 54 N 1.04 0.55 -0.29 4.88 3.64 -1.75 -0.43 116.57 124.20 3ite h LYS 54 Ca 0.32 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3ite h LYS 54 Cb -0.00 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3ite h LYS 54 CO -0.09 0.59 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.37 3ite h LYS 55 N 0.41 0.58 -0.69 1.90 1.63 -1.78 -1.01 116.57 117.61 3ite h LYS 55 Ca 0.11 -0.23 0.03 0.00 -0.85 0.00 0.00 60.65 59.71 3ite h LYS 55 Cb 0.28 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 3ite h LYS 55 CO -0.00 0.78 0.43 1.25 -3.45 0.00 0.00 179.45 178.47 3ite h LEU 56 N 0.34 0.72 -0.19 5.20 5.85 -0.95 -1.16 115.31 125.12 3ite h LEU 56 Ca 0.07 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 3ite h LEU 56 Cb 0.58 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3ite h LEU 56 CO 0.03 0.50 -0.27 -1.13 -0.34 0.00 0.00 178.44 177.23 3ite h ASN 57 N 0.85 0.56 -1.00 1.25 -1.24 -0.89 -0.82 115.58 114.30 3ite h ASN 57 Ca 0.28 -0.51 0.02 0.00 0.71 0.00 0.00 56.30 56.80 3ite h ASN 57 Cb 0.01 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 38.84 3ite h ASN 57 CO -0.10 0.97 0.66 -0.33 -1.29 0.00 0.00 177.43 177.33 3ite h GLU 58 N 0.18 1.27 -0.31 6.67 5.08 -1.06 -1.83 114.58 124.58 3ite h GLU 58 Ca 0.02 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 3ite h GLU 58 Cb 0.84 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3ite h GLU 58 CO 0.06 0.84 -0.52 1.15 -1.00 0.00 0.00 179.01 179.55 3ite h THR 59 N 1.31 1.27 -0.61 1.13 2.02 -0.94 -1.77 112.91 115.33 3ite h THR 59 Ca 0.38 -1.70 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 3ite h THR 59 Cb -0.08 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3ite h THR 59 CO -0.10 0.56 0.19 0.00 0.37 0.00 0.00 175.52 176.53 3ite h ALA 60 N 0.70 1.19 -0.50 6.16 0.00 -0.81 0.17 119.26 126.17 3ite h ALA 60 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3ite h ALA 60 Cb 1.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3ite h ALA 60 CO 0.12 0.57 -0.01 -0.91 0.00 0.00 0.00 179.25 179.02 3ite h ASN 61 N 0.89 0.82 -0.52 0.00 2.35 -1.11 0.29 115.58 118.29 3ite h ASN 61 Ca 0.20 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3ite h ASN 61 Cb 0.26 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3ite h ASN 61 CO -0.01 0.89 -0.06 1.56 -1.65 0.00 0.00 177.43 178.16 3ite h GLN 62 N 0.79 0.96 -0.63 0.81 4.20 -0.51 -0.50 115.11 120.23 3ite h GLN 62 Ca 0.15 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3ite h GLN 62 Cb 0.49 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3ite h GLN 62 CO 0.02 1.00 0.32 0.28 -0.67 0.00 0.00 178.83 179.79 3ite h VAL 63 N 0.83 1.21 -0.68 -0.54 2.07 -0.64 -1.00 116.25 117.49 3ite h VAL 63 Ca 0.14 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3ite h VAL 63 Cb 0.61 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3ite h VAL 63 CO 0.04 0.23 0.20 0.00 0.02 0.00 0.00 177.57 178.06 3ite h ALA 64 N 1.15 0.90 -0.36 1.67 0.00 -0.43 -2.05 119.26 120.15 3ite h ALA 64 Ca 0.22 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3ite h ALA 64 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ite h ALA 64 CO -0.03 0.59 -0.13 -0.91 0.00 0.00 0.00 179.25 178.77 3ite h ASN 65 N 1.01 0.62 -0.37 0.00 2.35 -0.81 0.19 115.58 118.56 3ite h ASN 65 Ca 0.22 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3ite h ASN 65 Cb 0.33 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 3ite h ASN 65 CO -0.00 0.77 0.11 0.25 -1.65 0.00 0.00 177.43 176.91 3ite h LEU 66 N 0.57 0.08 -0.61 1.61 5.85 -0.65 -1.11 115.31 121.05 3ite h LEU 66 Ca 0.10 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3ite h LEU 66 Cb 0.56 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3ite h LEU 66 CO 0.04 0.08 -0.03 0.40 -0.34 0.00 0.00 178.44 178.59 3ite h ILE 67 N 0.24 1.27 -0.41 4.05 2.04 -0.68 -2.43 117.51 121.58 3ite h ILE 67 Ca 0.17 -1.18 -0.10 0.00 1.00 0.00 0.00 64.86 64.76 3ite h ILE 67 Cb 0.18 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3ite h ILE 67 CO -0.20 0.43 -0.13 0.40 0.00 0.00 0.00 178.15 178.64 3ite h ILE 68 N 0.96 1.26 0.00 -0.67 2.04 -0.52 -2.36 117.51 118.22 3ite h ILE 68 Ca 0.17 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 3ite h ILE 68 Cb 0.59 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3ite h ILE 68 CO 0.04 0.40 -0.26 0.45 0.00 0.00 0.00 178.15 178.78 3ite h HIS 69 N 0.68 0.00 0.00 1.37 3.86 -0.79 0.59 115.15 120.85 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 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3ite h HIS 69 CO 0.03 0.26 0.00 0.00 0.86 0.00 0.00 177.93 179.08 3ite n ALA 70 N -2.36 2.46 -3.79 2.45 0.00 -0.90 -4.92 120.51 113.46 3ite n ALA 70 Ca -0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.15 3ite n ALA 70 Cb 0.35 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.54 -3.44 -4.64 0.00 7.64 0.20 -4.98 113.62 107.86 3ite n SER 71 Ca 0.02 -0.77 -0.35 0.00 1.01 0.00 0.00 58.87 58.78 3ite n SER 71 Cb 0.01 -4.10 -0.10 0.00 -1.01 0.00 0.00 64.21 59.01 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 -7.02 3.87 -0.03 -3.43 1.43 -1.17 -5.07 118.68 107.25 3ite s LEU 72 Ca 0.38 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3ite s LEU 72 Cb -0.18 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.08 3ite s LEU 72 CO 0.81 0.16 0.04 -1.00 0.23 0.00 0.00 176.35 176.59 3ite s HIS 73 N 0.47 0.08 -1.52 0.29 3.76 -1.26 -4.74 115.29 112.36 3ite s HIS 73 Ca 0.04 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 3ite s HIS 73 Cb -0.12 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.18 3ite s HIS 73 CO 0.00 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.16 3ite n GLY 74 N 4.76 -0.03 3.83 -2.22 0.00 -0.15 -5.00 105.19 106.38 3ite n GLY 74 Ca -0.15 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.64 3.05 -0.02 1.61 1.81 -1.26 -4.81 118.95 114.69 3ite s ARG 75 Ca 0.00 -0.74 -0.30 0.00 -1.72 0.00 0.00 55.73 52.97 3ite s ARG 75 Cb 0.00 -2.76 -0.05 0.00 -0.45 0.00 0.00 34.95 31.69 3ite s ARG 75 CO 0.00 0.52 1.30 0.00 -0.68 0.00 0.00 175.30 176.44 3ite s ALA 76 N -1.65 3.54 -0.22 2.13 0.00 -1.26 -0.67 121.76 123.62 3ite s ALA 76 Ca 0.32 0.77 0.02 0.00 0.00 0.00 0.00 51.96 53.06 3ite s ALA 76 Cb -0.11 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.50 3ite s ALA 76 CO 0.25 -0.82 -0.13 0.42 0.00 0.00 0.00 175.76 175.48 3ite s ILE 77 N 2.24 1.94 0.30 0.00 -1.09 -0.23 -0.75 121.20 123.61 3ite s ILE 77 Ca 0.60 -1.24 -0.18 0.00 -2.23 0.00 0.00 60.65 57.60 3ite s ILE 77 Cb -0.28 -1.97 -0.09 0.00 -1.58 0.00 0.00 42.46 38.54 3ite s ILE 77 CO 0.25 0.18 0.78 0.00 -1.23 0.00 0.00 174.94 174.91 3ite s ALA 78 N 1.26 3.30 -0.07 9.38 0.00 -1.26 -1.30 121.76 133.07 3ite s ALA 78 Ca -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 3ite s ALA 78 Cb -0.17 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.10 3ite s ALA 78 CO -0.08 0.29 -0.02 0.08 0.00 0.00 0.00 175.76 176.03 3ite s VAL 79 N -1.83 0.50 -0.41 0.00 1.01 -0.41 -1.07 120.40 118.20 3ite s VAL 79 Ca 0.51 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.52 3ite s VAL 79 Cb -0.13 -0.61 0.15 0.00 0.00 0.00 0.00 36.38 35.79 3ite s VAL 79 CO 0.19 0.27 0.27 -0.55 0.00 0.00 0.00 175.10 175.27 3ite s SER 80 N 1.70 2.77 0.31 3.32 0.15 -0.38 -0.48 113.70 121.09 3ite s SER 80 Ca 0.01 -2.63 0.06 0.00 0.70 0.00 0.00 55.95 54.10 3ite s SER 80 Cb -0.13 -0.61 -0.06 0.00 -1.71 0.00 0.00 66.02 63.51 3ite s SER 80 CO -0.04 -0.25 -0.03 -0.76 1.20 0.00 0.00 173.24 173.36 3ite s LEU 81 N 0.48 2.50 1.14 3.45 1.43 -1.26 -3.34 118.68 123.08 3ite s LEU 81 Ca 0.23 -1.25 -0.18 0.00 -1.03 0.00 0.00 54.13 51.89 3ite s LEU 81 Cb -0.14 -0.66 0.26 0.00 0.03 0.00 0.00 46.19 45.68 3ite s LEU 81 CO -0.06 -0.40 1.14 1.51 0.23 0.00 0.00 176.35 178.77 3ite s ASP 82 N -3.51 1.47 -1.11 2.29 -4.77 -1.26 -4.69 116.67 105.11 3ite s ASP 82 Ca 0.32 0.62 -0.18 0.00 -3.30 0.00 0.00 52.55 50.01 3ite s ASP 82 Cb 0.05 -0.87 0.11 0.00 -1.09 0.00 0.00 42.92 41.13 3ite s ASP 82 CO 0.14 -3.78 1.41 -0.13 0.70 0.00 0.00 175.17 173.51 3ite s ARG 83 N -5.45 3.82 0.40 2.11 0.52 -1.26 -4.81 118.95 114.28 3ite s ARG 83 Ca 0.71 -1.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.08 3ite s ARG 83 Cb -0.10 -5.18 -0.07 0.00 0.52 0.00 0.00 34.95 30.12 3ite s ARG 83 CO 0.56 -1.96 0.02 -1.54 0.02 0.00 0.00 175.30 172.39 3ite s SER 84 N 3.81 3.94 0.17 0.23 1.04 -1.26 -4.77 113.70 116.85 3ite s SER 84 Ca 0.43 -1.30 -0.12 0.00 0.48 0.00 0.00 55.95 55.44 3ite s SER 84 Cb -0.01 -0.41 0.06 0.00 0.10 0.00 0.00 66.02 65.76 3ite s SER 84 CO -0.03 -0.42 1.71 -0.07 0.98 0.00 0.00 173.24 175.40 3ite h LEU 85 N 1.76 0.81 -1.83 2.42 3.38 -1.95 -3.00 115.31 116.90 3ite h LEU 85 Ca -0.44 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 3ite h LEU 85 Cb 1.24 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3ite h LEU 85 CO 0.78 0.78 -0.14 -0.29 0.09 0.00 0.00 178.44 179.66 3ite h ILE 86 N 0.79 0.69 -0.98 1.22 2.10 -1.96 -1.04 117.51 118.32 3ite h ILE 86 Ca 0.19 -0.58 0.02 0.00 1.08 0.00 0.00 64.86 65.56 3ite h ILE 86 Cb 0.24 1.36 -0.05 0.00 -1.09 0.00 0.00 36.82 37.28 3ite h ILE 86 CO -0.01 0.14 0.65 0.00 -1.08 0.00 0.00 178.15 177.85 3ite h ALA 87 N 1.86 1.27 -0.71 0.18 0.00 -1.84 0.14 119.26 120.16 3ite h ALA 87 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ite h ALA 87 Cb 0.35 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ite h ALA 87 CO 0.02 0.59 0.23 0.74 0.00 0.00 0.00 179.25 180.83 3ite h PHE 88 N 1.29 1.14 0.00 0.00 0.04 -1.28 -2.02 116.94 116.11 3ite h PHE 88 Ca 0.38 -0.11 -0.11 0.00 2.80 0.00 0.00 57.97 60.93 3ite h PHE 88 Cb -0.08 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.72 3ite h PHE 88 CO -0.00 0.90 -0.51 0.00 -0.60 0.00 0.00 178.31 178.10 3ite h ALA 89 N 1.11 0.98 -0.07 2.45 0.00 -0.88 -2.43 119.26 120.41 3ite h ALA 89 Ca 0.23 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ite h ALA 89 Cb 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ite h ALA 89 CO -0.01 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.69 3ite h ILE 90 N 0.00 1.28 -0.39 0.00 2.04 -0.54 0.21 117.51 120.11 3ite h ILE 90 Ca -0.01 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.04 3ite h ILE 90 Cb 1.02 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 3ite h ILE 90 CO 0.07 0.24 0.06 0.40 0.00 0.00 0.00 178.15 178.92 3ite h ILE 91 N -0.20 0.78 -0.43 -0.67 2.04 -1.20 0.48 117.51 118.31 3ite h ILE 91 Ca 0.02 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 3ite h ILE 91 Cb 0.39 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3ite h ILE 91 CO 0.01 0.03 -0.22 0.58 0.00 0.00 0.00 178.15 178.55 3ite h VAL 92 N 0.18 1.28 -0.98 1.67 2.07 -1.40 -3.01 116.25 116.05 3ite h VAL 92 Ca 0.19 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.34 3ite h VAL 92 Cb 0.24 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3ite h VAL 92 CO -0.26 0.46 0.63 1.23 0.02 0.00 0.00 177.57 179.65 3ite h GLY 93 N 0.73 1.39 -0.77 2.17 0.00 -0.12 0.18 103.07 106.64 3ite h GLY 93 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3ite h GLY 93 CO 0.07 0.52 0.00 1.39 0.00 0.00 0.00 176.54 178.52 3ite n ILE 94 N -4.37 0.00 0.00 2.60 5.41 0.12 -1.18 119.36 121.94 3ite n ILE 94 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 3ite n ILE 94 Cb 0.03 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 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 0.23 0.00 -0.01 0.38 5.02 0.63 -2.20 118.16 122.20 3ite n LYS 96 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 3ite n LYS 96 Cb 0.00 0.00 0.60 0.00 -0.02 0.00 0.00 35.03 35.61 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 1.17 -1.82 4.39 3.41 -0.32 -4.88 113.62 115.57 3ite n SER 97 Ca 0.00 -1.41 -0.12 0.00 -0.26 0.00 0.00 58.87 57.08 3ite n SER 97 Cb 0.00 -0.01 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 1.12 0.12 3.67 5.00 0.00 -1.18 -4.78 105.19 109.15 3ite n GLY 98 Ca 0.20 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3ite n GLY 98 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ite s ASN 99 N -2.98 3.71 -0.15 1.61 0.01 -0.94 -0.98 114.94 115.22 3ite s ASN 99 Ca 0.21 -1.59 -0.05 0.00 -0.71 0.00 0.00 52.86 50.72 3ite s ASN 99 Cb -0.09 0.32 -0.03 0.00 0.41 0.00 0.00 41.25 41.86 3ite s ASN 99 CO 0.26 -0.78 0.00 -0.89 -1.51 0.00 0.00 177.10 174.18 3ite s THR 100 N -2.94 4.27 -0.13 1.60 2.01 0.16 -4.65 115.64 115.95 3ite s THR 100 Ca 0.16 -0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 3ite s THR 100 Cb 0.04 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 3ite s THR 100 CO 0.09 0.50 0.93 -0.47 -0.69 0.00 0.00 174.62 174.98 3ite s TYR 101 N 0.16 3.48 -0.57 4.92 5.04 -0.05 -1.07 117.35 129.25 3ite s TYR 101 Ca 0.01 1.46 0.04 0.00 -2.44 0.00 0.00 57.07 56.14 3ite s TYR 101 Cb -0.13 -3.11 0.15 0.00 0.35 0.00 0.00 41.96 39.22 3ite s TYR 101 CO 0.02 -0.22 0.35 0.08 -1.34 0.00 0.00 175.55 174.44 3ite s VAL 102 N 2.02 2.41 0.25 3.14 1.01 -0.42 -0.71 120.40 128.11 3ite s VAL 102 Ca 0.44 -3.54 -0.31 0.00 0.00 0.00 0.00 61.98 58.57 3ite s VAL 102 Cb -0.18 -2.64 -0.12 0.00 0.00 0.00 0.00 36.38 33.45 3ite s VAL 102 CO 0.16 -0.92 1.64 -2.16 0.00 0.00 0.00 175.10 173.82 3ite s PRO 103 N -0.63 4.13 -0.19 2.72 0.04 -1.26 -1.29 135.00 138.52 3ite s PRO 103 Ca 0.21 2.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.82 3ite s PRO 103 Cb -0.16 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.39 3ite s PRO 103 CO -0.07 -0.68 -0.02 0.42 0.04 0.00 0.00 177.00 176.69 3ite s ILE 104 N 0.52 0.98 0.26 0.56 1.01 0.36 -4.85 121.20 120.03 3ite s ILE 104 Ca 0.68 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 3ite s ILE 104 Cb -0.48 -1.31 -0.11 0.00 0.01 0.00 0.00 42.46 40.57 3ite s ILE 104 CO 0.41 -0.07 1.55 -0.70 0.00 0.00 0.00 174.94 176.13 3ite s GLU 105 N 1.66 4.18 0.42 2.79 2.12 -1.26 -4.07 118.70 124.54 3ite s GLU 105 Ca -0.02 2.47 0.13 0.00 0.36 0.00 0.00 54.97 57.91 3ite s GLU 105 Cb -0.17 -3.07 0.91 0.00 0.26 0.00 0.00 34.13 32.06 3ite s GLU 105 CO -0.07 -0.57 1.96 0.00 -0.54 0.00 0.00 175.26 176.03 3ite h ALA 106 N 5.28 1.62 -0.04 6.30 0.00 -1.90 -2.14 119.26 128.38 3ite h ALA 106 Ca -0.46 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3ite h ALA 106 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ite h ALA 106 CO 0.81 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.76 3ite n GLY 107 N -0.94 -0.46 3.76 0.00 0.00 -1.26 -4.89 105.19 101.40 3ite n GLY 107 Ca -0.02 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 3ite n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ite s LEU 108 N -1.82 3.87 0.58 0.99 1.43 -0.81 -4.96 118.68 117.97 3ite s LEU 108 Ca 0.37 2.55 -0.20 0.00 -1.03 0.00 0.00 54.13 55.82 3ite s LEU 108 Cb 0.19 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 3ite s LEU 108 CO 0.30 -1.36 1.33 -2.65 0.23 0.00 0.00 176.35 174.20 3ite n PRO 109 N -0.95 1.49 -0.29 1.29 -0.02 -1.26 -4.76 135.00 130.51 3ite n PRO 109 Ca 0.10 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 3ite n PRO 109 Cb 0.47 -2.56 0.34 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.12 0.72 -0.29 2.55 4.21 -1.93 -0.32 115.58 121.65 3ite h ASN 110 Ca -0.51 0.04 -0.08 0.00 1.21 0.00 0.00 56.30 56.96 3ite h ASN 110 Cb 1.32 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 3ite h ASN 110 CO 0.56 0.37 -0.10 0.44 -1.29 0.00 0.00 177.43 177.41 3ite h ASP 111 N 0.77 0.69 0.53 5.81 5.19 -1.91 -1.27 116.42 126.23 3ite h ASP 111 Ca 0.46 -0.19 -0.19 0.00 -0.62 0.00 0.00 57.03 56.48 3ite h ASP 111 Cb 0.65 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 3ite h ASP 111 CO -0.22 0.82 -0.83 0.03 -3.12 0.00 0.00 179.24 175.92 3ite h ARG 112 N 0.64 0.22 -0.62 3.56 3.08 -1.44 -1.86 114.38 117.97 3ite h ARG 112 Ca 0.11 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3ite h ARG 112 Cb 0.55 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 3ite h ARG 112 CO 0.03 0.93 0.32 0.87 -1.07 0.00 0.00 179.97 181.05 3ite h LYS 113 N 0.13 0.87 -0.18 0.04 1.57 -1.12 -2.56 116.57 115.32 3ite h LYS 113 Ca -0.04 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3ite h LYS 113 Cb 1.44 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 3ite h LYS 113 CO 0.13 0.68 0.05 0.77 -0.57 0.00 0.00 179.45 180.51 3ite h SER 114 N 0.84 0.27 -0.78 0.86 0.02 -0.91 -1.78 113.55 112.07 3ite h SER 114 Ca 0.21 -0.22 0.18 0.00 -0.84 0.00 0.00 61.79 61.12 3ite h SER 114 Cb 0.08 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 62.43 3ite h SER 114 CO -0.03 0.42 0.16 0.15 -1.14 0.00 0.00 176.83 176.39 3ite h PHE 115 N 0.10 0.23 -0.28 3.45 3.57 -1.34 -1.78 116.94 120.89 3ite h PHE 115 Ca 0.06 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 3ite h PHE 115 Cb 0.25 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3ite h PHE 115 CO 0.01 -0.15 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.69 3ite h LEU 116 N 0.22 0.64 -0.84 0.59 3.38 -0.91 0.14 115.31 118.52 3ite h LEU 116 Ca 0.45 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3ite h LEU 116 Cb 0.82 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3ite h LEU 116 CO -0.58 0.93 0.50 -0.07 0.09 0.00 0.00 178.44 179.31 3ite h LEU 117 N 0.35 0.76 0.08 1.67 3.38 -1.28 -1.06 115.31 119.21 3ite h LEU 117 Ca 0.06 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3ite h LEU 117 Cb 0.71 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.35 3ite h LEU 117 CO 0.05 0.47 -0.68 -0.09 0.09 0.00 0.00 178.44 178.27 3ite h ARG 118 N 0.89 0.32 -0.33 1.13 2.43 -1.16 -2.52 114.38 115.13 3ite h ARG 118 Ca 0.38 -0.45 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 3ite h ARG 118 Cb 0.25 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3ite h ARG 118 CO -0.20 1.17 -0.28 0.22 -1.51 0.00 0.00 179.97 179.37 3ite h ASP 119 N -0.31 0.70 0.96 -3.80 3.58 -0.61 -2.47 116.42 114.46 3ite h ASP 119 Ca -0.11 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.08 3ite h ASP 119 Cb 1.48 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.33 3ite h ASP 119 CO 0.13 0.94 0.00 -1.54 -2.88 0.00 0.00 179.24 175.89 3ite n SER 120 N -4.09 0.24 -3.92 2.28 3.41 -0.41 -4.93 113.62 106.20 3ite n SER 120 Ca -0.00 0.53 -0.30 0.00 -0.26 0.00 0.00 58.87 58.84 3ite n SER 120 Cb 0.45 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.83 3ite n SER 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ite n ARG 121 N -1.73 -5.23 -1.61 4.33 3.00 -0.93 -4.61 116.66 109.88 3ite n ARG 121 Ca 0.05 0.58 -0.53 0.00 -0.01 0.00 0.00 57.85 57.94 3ite n ARG 121 Cb 0.31 -5.40 -0.06 0.00 0.00 0.00 0.00 32.46 27.31 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 -4.61 -0.85 1.01 7.54 0.00 -0.98 -4.50 120.51 118.13 3ite n ALA 122 Ca -0.01 0.50 0.12 0.00 0.00 0.00 0.00 53.44 54.05 3ite n ALA 122 Cb 0.55 -2.10 0.25 0.00 0.00 0.00 0.00 19.45 18.15 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 2.99 2.49 -3.64 0.00 0.00 0.07 -3.82 120.51 118.59 3ite n ALA 123 Ca 0.20 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 3ite n ALA 123 Cb 0.18 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.88 -2.10 -0.23 0.00 0.00 0.01 -2.49 121.76 115.06 3ite s ALA 125 Ca 0.33 2.05 -0.09 0.00 0.00 0.00 0.00 51.96 54.25 3ite s ALA 125 Cb 0.21 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3ite s ALA 125 CO 0.31 -0.29 0.11 -0.06 0.00 0.00 0.00 175.76 175.83 3ite s PHE 126 N 0.78 3.24 0.18 0.00 0.08 -0.23 -0.04 117.98 121.98 3ite s PHE 126 Ca -0.03 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.05 3ite s PHE 126 Cb -0.04 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3ite s PHE 126 CO -0.11 -0.00 0.13 0.14 -0.10 0.00 0.00 175.22 175.28 3ite s VAL 127 N 0.98 0.04 0.31 -0.44 -7.23 0.23 -1.25 120.40 113.03 3ite s VAL 127 Ca 0.06 -1.91 -0.15 0.00 -1.81 0.00 0.00 61.98 58.17 3ite s VAL 127 Cb -0.14 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.54 3ite s VAL 127 CO 0.03 -0.18 0.65 0.00 -0.31 0.00 0.00 175.10 175.29 3ite n ASP 129 N -0.79 -5.69 -2.60 0.00 8.00 -1.26 -1.51 116.55 112.70 3ite n ASP 129 Ca -0.04 -0.42 -0.11 0.00 0.71 0.00 0.00 54.79 54.93 3ite n ASP 129 Cb 0.60 -4.57 -0.00 0.00 -0.02 0.00 0.00 41.12 37.13 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 -2.64 -3.21 0.32 -2.24 4.13 -1.26 -4.78 115.26 105.58 3ite n ASN 130 Ca -0.05 0.17 0.21 0.00 1.68 0.00 0.00 54.58 56.59 3ite n ASN 130 Cb 0.58 -2.75 1.08 0.00 -1.54 0.00 0.00 39.78 37.16 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 -0.14 0.00 -0.11 6.41 2.35 -1.60 -2.52 115.58 119.97 3ite h ASN 131 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 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 0.30 0.01 0.00 0.49 -1.65 0.00 0.00 177.43 176.58 3ite n PHE 132 N -3.22 0.13 -1.62 1.19 3.01 -1.26 -4.91 117.46 110.78 3ite n PHE 132 Ca -0.02 -0.12 -0.45 0.00 1.01 0.00 0.00 57.45 57.87 3ite n PHE 132 Cb 0.11 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 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 0.78 3.46 0.00 4.37 9.92 -0.95 -1.13 116.55 133.00 3ite n ASP 133 Ca 0.10 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 54.97 3ite n ASP 133 Cb 0.37 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.38 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 5.17 0.77 3.74 0.44 0.00 -1.26 -4.98 105.19 109.07 3ite n GLY 134 Ca 0.26 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 5.38 -0.21 1.61 1.01 -0.28 -4.81 120.40 121.10 3ite s VAL 135 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3ite s VAL 135 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 3ite s VAL 135 CO 0.00 0.46 1.26 -1.61 0.00 0.00 0.00 175.10 175.21 3ite s GLU 136 N 0.23 4.13 0.01 2.72 8.01 -1.26 -5.00 118.70 127.54 3ite s GLU 136 Ca 0.08 1.51 -0.21 0.00 0.01 0.00 0.00 54.97 56.37 3ite s GLU 136 Cb -0.11 -3.79 -0.06 0.00 -4.31 0.00 0.00 34.13 25.86 3ite s GLU 136 CO -0.01 -0.84 0.62 -0.51 0.01 0.00 0.00 175.26 174.53 3ite s LEU 137 N 3.77 4.44 0.60 1.80 1.43 -1.26 -4.70 118.68 124.76 3ite s LEU 137 Ca 0.55 1.22 -0.19 0.00 -1.03 0.00 0.00 54.13 54.67 3ite s LEU 137 Cb -0.20 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 3ite s LEU 137 CO 0.17 0.11 1.30 -2.84 0.23 0.00 0.00 176.35 175.32 3ite s PRO 138 N -0.29 2.84 0.43 1.29 0.02 -1.26 -4.88 135.00 133.15 3ite s PRO 138 Ca 0.32 2.09 0.10 0.00 0.02 0.00 0.00 61.00 63.52 3ite s PRO 138 Cb -0.19 -2.01 0.95 0.00 0.02 0.00 0.00 34.50 33.28 3ite s PRO 138 CO 0.18 -1.38 2.05 -1.35 -0.33 0.00 0.00 177.00 176.17 3ite h PRO 139 N 0.94 0.44 0.00 5.54 0.11 -1.96 -2.07 132.00 134.99 3ite h PRO 139 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3ite h PRO 139 Cb 1.32 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ite h PRO 139 CO 0.55 0.29 0.00 1.05 -0.21 0.00 0.00 178.00 179.68 3ite h GLU 140 N 0.45 0.00 -6.52 1.05 9.09 -1.89 -3.44 114.58 113.32 3ite h GLU 140 Ca 0.16 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 59.00 3ite h GLU 140 Cb 0.08 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.12 3ite h GLU 140 CO -0.04 0.00 0.92 0.99 0.05 0.00 0.00 179.01 180.93 3ite s THR 141 N -3.90 4.28 -0.26 -1.06 2.01 -0.78 -4.61 115.64 111.32 3ite s THR 141 Ca -0.02 1.39 -0.24 0.00 0.31 0.00 0.00 61.69 63.13 3ite s THR 141 Cb 0.11 -4.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 3ite s THR 141 CO 0.48 -0.74 0.78 -0.75 -0.69 0.00 0.00 174.62 173.70 3ite s LYS 142 N 4.18 4.13 -0.26 4.92 2.47 -1.04 -4.91 119.74 129.23 3ite s LYS 142 Ca 0.49 0.80 -0.07 0.00 -1.56 0.00 0.00 55.97 55.63 3ite s LYS 142 Cb -0.11 -3.66 -0.02 0.00 -1.46 0.00 0.00 37.83 32.58 3ite s LYS 142 CO 0.25 -0.53 0.07 0.08 0.16 0.00 0.00 175.35 175.38 3ite s VAL 143 N 2.81 4.21 -0.16 4.02 1.01 -1.26 -0.81 120.40 130.21 3ite s VAL 143 Ca 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 3ite s VAL 143 Cb -0.15 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3ite s VAL 143 CO 0.09 0.28 -0.02 -0.76 0.00 0.00 0.00 175.10 174.68 3ite s LEU 144 N 1.59 3.32 -0.45 3.92 1.43 0.94 -4.96 118.68 124.47 3ite s LEU 144 Ca 0.06 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 3ite s LEU 144 Cb -0.16 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.30 3ite s LEU 144 CO 0.03 0.16 0.48 -0.62 0.23 0.00 0.00 176.35 176.64 3ite s ASP 145 N 0.40 6.20 0.00 2.29 2.15 -1.26 -0.60 116.67 125.84 3ite s ASP 145 Ca -0.03 -0.86 0.07 0.00 0.43 0.00 0.00 52.55 52.16 3ite s ASP 145 Cb -0.14 -2.24 0.33 0.00 -0.30 0.00 0.00 42.92 40.57 3ite s ASP 145 CO 0.03 -0.68 1.15 0.35 -0.17 0.00 0.00 175.17 175.84 3ite n THR 146 N 5.45 1.19 0.25 1.71 -2.24 0.42 -1.32 114.28 119.75 3ite n THR 146 Ca -0.08 0.30 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 3ite n THR 146 Cb 0.46 -1.18 0.10 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.39 1.56 -2.59 -0.78 5.02 -1.26 -4.81 118.16 113.91 3ite n LYS 147 Ca 0.03 -1.59 -0.42 0.00 -2.02 0.00 0.00 58.31 54.30 3ite n LYS 147 Cb 0.07 -1.27 -0.03 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 -1.04 7.23 0.35 4.39 3.84 -0.43 -4.93 114.94 124.35 3ite s ASN 148 Ca 0.19 1.76 0.09 0.00 0.21 0.00 0.00 52.86 55.11 3ite s ASN 148 Cb 0.12 -2.57 0.82 0.00 -0.55 0.00 0.00 41.25 39.07 3ite s ASN 148 CO 0.17 -0.39 1.85 -0.61 -2.79 0.00 0.00 177.10 175.33 3ite h GLN 149 N 6.94 0.67 -0.47 0.43 4.15 -1.93 -1.40 115.11 123.50 3ite h GLN 149 Ca -0.39 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 58.96 3ite h GLN 149 Cb 1.20 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 3ite h GLN 149 CO 0.80 0.45 0.15 1.03 -1.93 0.00 0.00 178.83 179.32 3ite h SER 150 N 0.69 0.68 -0.52 -0.69 0.87 -1.94 -1.96 113.55 110.68 3ite h SER 150 Ca 0.47 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 3ite h SER 150 Cb 0.78 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3ite h SER 150 CO -0.23 0.71 0.05 0.15 -0.53 0.00 0.00 176.83 176.97 3ite h PHE 151 N 0.62 0.99 -0.06 2.24 3.57 -1.57 -1.85 116.94 120.89 3ite h PHE 151 Ca 0.15 -0.14 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 3ite h PHE 151 Cb 0.27 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3ite h PHE 151 CO 0.01 0.87 -0.59 0.82 -2.23 0.00 0.00 178.31 177.20 3ite h ILE 152 N 0.87 1.39 -0.07 1.41 2.04 -1.13 -1.37 117.51 120.66 3ite h ILE 152 Ca 0.17 -1.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.03 3ite h ILE 152 Cb 0.45 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3ite h ILE 152 CO 0.02 0.58 -0.14 -0.33 0.00 0.00 0.00 178.15 178.27 3ite h GLU 153 N 0.14 0.21 -0.62 2.37 5.08 -1.17 -2.70 114.58 117.89 3ite h GLU 153 Ca -0.00 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3ite h GLU 153 Cb 1.08 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3ite h GLU 153 CO 0.09 0.73 0.36 -0.97 -1.00 0.00 0.00 179.01 178.23 3ite h ASN 154 N -0.28 0.57 -0.66 1.42 -0.00 -1.26 -2.80 115.58 112.58 3ite h ASN 154 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.29 3ite h ASN 154 Cb 0.73 -0.11 -0.03 0.00 -0.00 0.00 0.00 38.32 38.92 3ite h ASN 154 CO 0.03 0.39 0.32 0.25 -0.00 0.00 0.00 177.43 178.42 3ite h LEU 155 N 0.70 0.86 0.00 0.34 5.85 -1.24 -1.25 115.31 120.57 3ite h LEU 155 Ca 0.26 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3ite h LEU 155 Cb 0.08 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3ite h LEU 155 CO -0.13 0.74 0.00 -1.54 -0.34 0.00 0.00 178.44 177.17 3ite n SER 156 N -4.48 0.00 -0.01 1.25 3.41 -1.02 -1.65 113.62 111.12 3ite n SER 156 Ca 0.05 0.42 0.10 0.00 -0.26 0.00 0.00 58.87 59.18 3ite n SER 156 Cb 0.12 -0.45 -0.15 0.00 -0.26 0.00 0.00 64.21 63.48 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 -1.45 0.00 -1.40 6.66 -1.04 -0.48 -4.96 114.28 111.61 3ite n THR 157 Ca 0.02 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.05 61.47 3ite n THR 157 Cb 0.09 0.50 0.08 0.00 -1.82 0.00 0.00 70.33 69.17 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 -3.26 2.48 0.53 -2.82 -1.52 -0.66 -5.02 119.66 109.38 3ite s GLN 158 Ca -0.00 1.03 -0.21 0.00 -1.95 0.00 0.00 55.36 54.22 3ite s GLN 158 Cb 0.15 -1.93 -0.05 0.00 -0.22 0.00 0.00 33.01 30.95 3ite s GLN 158 CO 0.89 -1.45 1.24 0.34 -0.25 0.00 0.00 175.29 176.06 3ite s ASP 159 N -3.59 5.60 0.00 5.90 2.15 -1.26 -4.89 116.67 120.58 3ite s ASP 159 Ca 0.60 2.47 0.13 0.00 0.43 0.00 0.00 52.55 56.19 3ite s ASP 159 Cb -0.16 -2.61 0.16 0.00 -0.30 0.00 0.00 42.92 40.01 3ite s ASP 159 CO 0.56 -1.32 1.01 0.35 -0.17 0.00 0.00 175.17 175.59 3ite n THR 160 N -0.98 0.21 -2.00 1.71 -2.24 -1.26 -3.53 114.28 106.19 3ite n THR 160 Ca 0.10 -0.61 -0.32 0.00 -2.27 0.00 0.00 64.05 60.95 3ite n THR 160 Cb 0.48 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.10 5.89 0.24 3.42 0.01 -1.26 -4.61 113.70 116.30 3ite s SER 161 Ca 0.18 1.70 -0.31 0.00 1.31 0.00 0.00 55.95 58.83 3ite s SER 161 Cb 0.12 -2.52 -0.13 0.00 0.21 0.00 0.00 66.02 63.71 3ite s SER 161 CO 0.17 -1.09 1.52 0.47 0.41 0.00 0.00 173.24 174.72 3ite n ASP 162 N -2.24 3.26 -4.75 2.44 8.00 -1.26 -4.83 116.55 117.17 3ite n ASP 162 Ca 0.08 1.13 -0.41 0.00 0.71 0.00 0.00 54.79 56.29 3ite n ASP 162 Cb 0.53 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.11 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 0.24 3.15 -0.19 0.53 -1.09 -1.26 -4.94 121.20 117.63 3ite s ILE 163 Ca 0.69 1.00 -0.29 0.00 -2.23 0.00 0.00 60.65 59.83 3ite s ILE 163 Cb -0.59 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 3ite s ILE 163 CO 0.46 0.18 1.83 -0.76 -1.23 0.00 0.00 174.94 175.41 3ite s LEU 164 N -0.62 3.83 -0.87 2.97 1.43 -1.26 -4.88 118.68 119.28 3ite s LEU 164 Ca 0.54 1.81 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 3ite s LEU 164 Cb -0.37 -3.53 0.30 0.00 0.03 0.00 0.00 46.19 42.63 3ite s LEU 164 CO 0.42 -1.43 1.28 -3.20 0.23 0.00 0.00 176.35 173.65 3ite n ASN 165 N 9.23 5.64 -3.18 2.29 2.85 -1.26 -4.90 115.26 125.93 3ite n ASN 165 Ca 0.22 -3.54 -0.31 0.00 -0.11 0.00 0.00 54.58 50.84 3ite n ASN 165 Cb 0.45 -0.97 -0.02 0.00 1.24 0.00 0.00 39.78 40.47 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 0.60 5.29 -4.96 1.20 5.15 -1.26 -4.97 115.26 116.31 3ite n ASN 166 Ca 0.33 -3.67 -0.24 0.00 -0.60 0.00 0.00 54.58 50.40 3ite n ASN 166 Cb 0.34 -0.75 -0.03 0.00 -0.53 0.00 0.00 39.78 38.82 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 -3.65 3.47 0.71 1.20 2.02 -1.26 -5.06 117.35 114.78 3ite s TYR 167 Ca 0.45 0.07 -0.16 0.00 -0.37 0.00 0.00 57.07 57.06 3ite s TYR 167 Cb 0.24 -1.63 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 3ite s TYR 167 CO -0.13 0.47 1.27 -2.30 -1.57 0.00 0.00 175.55 173.29 3ite n PRO 168 N -0.96 0.79 0.03 -1.71 -0.02 -1.26 -4.90 135.00 126.96 3ite n PRO 168 Ca -0.08 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3ite n PRO 168 Cb 0.55 -2.50 0.31 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.02 0.45 -0.47 -0.52 4.39 -1.97 -2.56 114.58 113.93 3ite h GLU 169 Ca -0.49 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.10 3ite h GLU 169 Cb 1.33 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3ite h GLU 169 CO 0.50 0.52 0.00 0.27 -1.16 0.00 0.00 179.01 179.15 3ite n ASN 170 N -4.27 2.91 -4.76 1.42 6.94 -1.26 -1.50 115.26 114.75 3ite n ASN 170 Ca 0.01 -1.95 -0.41 0.00 -0.02 0.00 0.00 54.58 52.20 3ite n ASN 170 Cb 0.26 -0.31 -0.01 0.00 -2.36 0.00 0.00 39.78 37.36 3ite n ASN 170 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3ite s LEU 171 N -1.19 4.34 0.41 -4.53 2.96 -0.97 -4.76 118.68 114.95 3ite s LEU 171 Ca 0.37 2.98 -0.27 0.00 -0.22 0.00 0.00 54.13 56.99 3ite s LEU 171 Cb 0.20 -3.64 -0.10 0.00 0.50 0.00 0.00 46.19 43.15 3ite s LEU 171 CO 0.27 -0.91 1.46 0.47 -1.32 0.00 0.00 176.35 176.32 3ite n ASP 172 N 1.81 3.57 -0.09 3.68 8.00 -1.26 -1.05 116.55 131.21 3ite n ASP 172 Ca 0.07 1.18 -0.12 0.00 0.71 0.00 0.00 54.79 56.63 3ite n ASP 172 Cb 0.38 -1.61 -0.09 0.00 -0.02 0.00 0.00 41.12 39.78 3ite n ASP 172 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ite n ALA 173 N 0.12 1.62 -2.68 2.24 0.00 0.15 -4.43 120.51 117.53 3ite n ALA 173 Ca 0.03 -0.79 -0.10 0.00 0.00 0.00 0.00 53.44 52.58 3ite n ALA 173 Cb 0.40 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.36 0.42 -0.12 0.00 -0.85 -0.91 -0.87 117.35 112.67 3ite s TYR 174 Ca -0.21 -0.79 -0.01 0.00 -0.52 0.00 0.00 57.07 55.54 3ite s TYR 174 Cb 0.06 -0.08 0.03 0.00 0.38 0.00 0.00 41.96 42.35 3ite s TYR 174 CO 0.44 -0.71 -0.05 -1.17 -1.52 0.00 0.00 175.55 172.54 3ite s LEU 175 N -2.97 1.15 -0.14 -3.49 2.96 0.11 -0.80 118.68 115.50 3ite s LEU 175 Ca 0.17 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3ite s LEU 175 Cb 0.04 -0.76 0.02 0.00 0.50 0.00 0.00 46.19 45.98 3ite s LEU 175 CO 0.00 -0.16 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.48 3ite s LEU 176 N 1.75 1.86 0.05 -0.68 0.20 -0.35 -4.34 118.68 117.18 3ite s LEU 176 Ca 0.04 -0.53 -0.26 0.00 0.69 0.00 0.00 54.13 54.08 3ite s LEU 176 Cb -0.13 -1.27 -0.06 0.00 -0.43 0.00 0.00 46.19 44.31 3ite s LEU 176 CO -0.07 0.00 0.79 -0.31 -0.29 0.00 0.00 176.35 176.46 3ite s TYR 177 N 1.18 3.75 0.11 5.38 1.51 -1.26 -0.58 117.35 127.43 3ite s TYR 177 Ca -0.00 1.51 0.04 0.00 -1.01 0.00 0.00 57.07 57.61 3ite s TYR 177 Cb -0.14 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 3ite s TYR 177 CO -0.07 0.27 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.46 3ite s THR 178 N -0.07 1.00 0.43 -0.71 -1.32 -0.21 -4.94 115.64 109.82 3ite s THR 178 Ca 0.39 -1.73 -0.23 0.00 -1.21 0.00 0.00 61.69 58.91 3ite s THR 178 Cb -0.21 -1.47 -0.08 0.00 -1.51 0.00 0.00 72.50 69.23 3ite s THR 178 CO 0.24 -0.59 1.10 -0.94 -2.21 0.00 0.00 174.62 172.21 3ite s SER 179 N -2.59 6.47 0.00 8.08 1.04 -1.26 0.34 113.70 125.78 3ite s SER 179 Ca 0.08 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.64 3ite s SER 179 Cb -0.02 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3ite s SER 179 CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3ite n GLY 180 N 0.32 0.00 0.00 7.32 0.00 -1.26 -4.72 105.19 106.85 3ite n GLY 180 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 3ite n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ite n GLY 183 N 2.76 -0.70 3.63 -0.02 0.00 -1.26 -4.99 105.19 104.61 3ite n GLY 183 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.89 5.07 0.59 2.61 2.01 -1.26 -5.05 115.64 116.73 3ite s THR 184 Ca 0.04 0.91 -0.19 0.00 0.31 0.00 0.00 61.69 62.76 3ite s THR 184 Cb 0.05 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 3ite s THR 184 CO 0.13 0.10 1.26 -2.16 -0.69 0.00 0.00 174.62 173.26 3ite s PRO 185 N 2.17 2.91 -0.08 4.92 0.04 -1.26 -4.87 135.00 138.83 3ite s PRO 185 Ca 0.22 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.28 3ite s PRO 185 Cb -0.16 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3ite s PRO 185 CO 0.09 -1.30 -0.19 -1.59 0.04 0.00 0.00 177.00 174.05 3ite s LYS 186 N -3.23 2.79 -0.03 4.56 -2.85 0.15 -4.85 119.74 116.28 3ite s LYS 186 Ca 0.77 -0.79 -0.25 0.00 -1.00 0.00 0.00 55.97 54.70 3ite s LYS 186 Cb -0.35 -2.35 -0.04 0.00 -2.06 0.00 0.00 37.83 33.04 3ite s LYS 186 CO 0.38 0.39 0.78 0.20 0.10 0.00 0.00 175.35 177.20 3ite s GLY 187 N -0.15 2.72 -0.24 0.59 0.00 -1.26 -1.04 107.32 107.94 3ite s GLY 187 Ca -0.02 0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.87 3ite s GLY 187 CO 0.04 1.30 0.13 0.14 0.00 0.00 0.00 173.10 174.71 3ite s VAL 188 N 0.74 5.03 -0.36 1.40 1.01 0.25 -1.00 120.40 127.46 3ite s VAL 188 Ca 0.42 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 3ite s VAL 188 Cb -0.19 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3ite s VAL 188 CO 0.21 0.35 0.59 -0.13 0.00 0.00 0.00 175.10 176.12 3ite s ARG 189 N 1.17 3.63 -0.13 2.72 0.52 -0.42 -1.21 118.95 125.22 3ite s ARG 189 Ca 0.06 -0.06 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 3ite s ARG 189 Cb -0.14 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.49 3ite s ARG 189 CO 0.05 -0.72 -0.09 0.08 0.02 0.00 0.00 175.30 174.64 3ite s VAL 190 N 2.59 3.42 0.60 3.52 1.01 0.02 -0.82 120.40 130.74 3ite s VAL 190 Ca 0.22 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3ite s VAL 190 Cb -0.15 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.81 3ite s VAL 190 CO 0.14 0.52 0.87 -0.94 0.00 0.00 0.00 175.10 175.70 3ite s SER 191 N 0.19 5.28 0.19 3.32 1.04 -1.26 0.30 113.70 122.76 3ite s SER 191 Ca -0.05 0.38 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 3ite s SER 191 Cb -0.15 -1.27 0.16 0.00 0.10 0.00 0.00 66.02 64.86 3ite s SER 191 CO 0.04 -1.21 1.80 0.03 0.98 0.00 0.00 173.24 174.88 3ite h ARG 192 N -0.18 0.59 -0.80 4.02 3.08 -1.16 -1.64 114.38 118.29 3ite h ARG 192 Ca -0.44 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 3ite h ARG 192 Cb 1.29 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 3ite h ARG 192 CO 0.58 0.39 0.41 1.25 -1.07 0.00 0.00 179.97 181.53 3ite h HIS 193 N 0.61 1.13 0.02 3.04 2.76 -1.53 -1.54 115.15 119.65 3ite h HIS 193 Ca 0.24 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 3ite h HIS 193 Cb 0.10 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 28.68 3ite h HIS 193 CO -0.08 0.81 -0.15 -0.91 -1.30 0.00 0.00 177.93 176.30 3ite h ASN 194 N 1.13 -0.43 -0.47 3.26 -0.26 -1.59 -0.90 115.58 116.32 3ite h ASN 194 Ca 0.28 0.06 -0.13 0.00 -0.56 0.00 0.00 56.30 55.95 3ite h ASN 194 Cb 0.08 0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 3ite h ASN 194 CO -0.04 -0.21 -0.22 0.25 -1.06 0.00 0.00 177.43 176.15 3ite h LEU 195 N -0.26 1.02 -0.23 1.61 5.85 -1.06 -0.30 115.31 121.94 3ite h LEU 195 Ca 0.04 -0.39 -0.19 0.00 0.84 0.00 0.00 57.88 58.19 3ite h LEU 195 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3ite h LEU 195 CO -0.13 1.19 -0.88 0.77 -0.34 0.00 0.00 178.44 179.04 3ite h SER 196 N 0.85 0.00 -0.11 1.25 4.64 -1.27 -1.71 113.55 117.21 3ite h SER 196 Ca 0.11 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3ite h SER 196 Cb 0.80 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3ite h SER 196 CO 0.07 0.89 -0.16 0.28 -0.87 0.00 0.00 176.83 177.04 3ite h SER 197 N 0.00 0.48 0.07 4.97 0.02 -0.93 -2.29 113.55 115.88 3ite h SER 197 Ca -0.01 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3ite h SER 197 Cb 1.56 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 3ite h SER 197 CO 0.12 0.66 -0.16 0.15 -1.14 0.00 0.00 176.83 176.46 3ite h PHE 198 N 0.45 -0.40 -0.41 3.45 3.57 -0.46 0.99 116.94 124.12 3ite h PHE 198 Ca 0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3ite h PHE 198 Cb 0.54 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3ite h PHE 198 CO 0.02 -0.23 0.16 0.77 -2.23 0.00 0.00 178.31 176.80 3ite h SER 199 N -0.30 0.52 -0.09 0.41 0.02 -1.08 0.13 113.55 113.16 3ite h SER 199 Ca 0.03 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3ite h SER 199 Cb 0.32 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.73 3ite h SER 199 CO -0.10 0.48 -0.43 -0.78 -1.14 0.00 0.00 176.83 174.85 3ite h ASP 200 N 0.58 0.54 -0.44 3.07 3.58 -1.06 0.17 116.42 122.85 3ite h ASP 200 Ca 0.14 -0.64 -0.14 0.00 0.42 0.00 0.00 57.03 56.81 3ite h ASP 200 Cb 0.12 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3ite h ASP 200 CO -0.01 1.09 -0.27 0.00 -2.88 0.00 0.00 179.24 177.17 3ite h ALA 201 N 0.46 0.63 0.00 -0.78 0.00 -0.51 -2.47 119.26 116.59 3ite h ALA 201 Ca -0.03 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 3ite h ALA 201 Cb 1.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ite h ALA 201 CO 0.09 0.66 -0.83 -1.49 0.00 0.00 0.00 179.25 177.68 3ite h TRP 202 N 0.81 0.00 -0.74 0.00 4.06 -0.97 -1.59 115.95 117.52 3ite h TRP 202 Ca 0.09 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.12 3ite h TRP 202 Cb 0.86 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.95 3ite h TRP 202 CO 0.06 0.83 0.41 0.78 -3.56 0.00 0.00 178.44 176.95 3ite h GLY 203 N 3.14 1.10 0.94 1.49 0.00 -0.51 -1.14 103.07 108.09 3ite h GLY 203 Ca -0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 3ite h GLY 203 CO 0.11 0.14 -0.31 0.50 0.00 0.00 0.00 176.54 176.98 3ite h LYS 204 N 0.73 0.65 -0.10 4.80 1.57 -1.29 -1.99 116.57 120.94 3ite h LYS 204 Ca 0.34 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3ite h LYS 204 Cb 0.26 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ite h LYS 204 CO -0.21 0.97 -0.01 1.25 -0.57 0.00 0.00 179.45 180.88 3ite h LEU 205 N 0.36 0.19 -0.41 2.94 6.46 -0.85 -2.14 115.31 121.86 3ite h LEU 205 Ca 0.03 -0.34 -0.13 0.00 -0.12 0.00 0.00 57.88 57.32 3ite h LEU 205 Cb 0.88 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 3ite h LEU 205 CO 0.07 0.48 -0.27 0.40 -0.62 0.00 0.00 178.44 178.51 3ite h ILE 206 N -0.11 1.28 -0.50 4.05 2.04 -1.32 -0.69 117.51 122.24 3ite h ILE 206 Ca 0.03 -1.43 0.02 0.00 1.00 0.00 0.00 64.86 64.48 3ite h ILE 206 Cb 0.39 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3ite h ILE 206 CO 0.01 0.48 0.33 1.23 0.00 0.00 0.00 178.15 180.20 3ite h GLY 207 N 0.73 0.68 0.43 5.37 0.00 -1.34 0.20 103.07 109.14 3ite h GLY 207 Ca 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3ite h GLY 207 CO 0.07 0.23 -0.09 -0.57 0.00 0.00 0.00 176.54 176.18 3ite h ASN 208 N 0.63 0.12 1.50 0.19 -1.24 -0.89 -3.19 115.58 112.69 3ite h ASN 208 Ca 0.19 -0.66 -0.04 0.00 0.71 0.00 0.00 56.30 56.50 3ite h ASN 208 Cb 0.01 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 3ite h ASN 208 CO -0.05 0.76 -0.52 -0.37 -1.29 0.00 0.00 177.43 175.97 3ite h VAL 209 N -0.52 0.21 -2.26 2.57 -1.51 -0.96 -3.37 116.25 110.40 3ite h VAL 209 Ca -0.01 -1.33 -0.58 0.00 -1.23 0.00 0.00 66.70 63.55 3ite h VAL 209 Cb 0.76 1.95 -0.40 0.00 -2.13 0.00 0.00 31.29 31.47 3ite h VAL 209 CO 0.02 0.12 -0.91 0.00 -1.23 0.00 0.00 177.57 175.57 3ite n ALA 210 N -2.18 2.99 0.00 5.19 0.00 0.69 -4.76 120.51 122.45 3ite n ALA 210 Ca 0.01 -3.74 0.18 0.00 0.00 0.00 0.00 53.44 49.89 3ite n ALA 210 Cb 0.61 -0.84 0.65 0.00 0.00 0.00 0.00 19.45 19.87 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 4.62 0.07 -0.32 0.00 0.11 -1.73 0.19 132.00 134.95 3ite h PRO 211 Ca 0.16 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.35 3ite h PRO 211 Cb 0.83 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3ite h PRO 211 CO 0.54 0.05 0.26 -0.22 -0.21 0.00 0.00 178.00 178.42 3ite h LYS 212 N 0.07 0.00 -1.04 1.05 1.63 -1.92 -0.88 116.57 115.48 3ite h LYS 212 Ca 0.24 0.00 0.28 0.00 -0.85 0.00 0.00 60.65 60.32 3ite h LYS 212 Cb 0.87 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.38 3ite h LYS 212 CO -0.02 0.00 0.63 0.77 -3.45 0.00 0.00 179.45 177.38 3ite h SER 213 N 0.00 0.55 0.76 4.20 0.02 -0.94 0.12 113.55 118.26 3ite h SER 213 Ca 0.15 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3ite h SER 213 Cb 0.67 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3ite h SER 213 CO -0.00 0.03 0.00 0.18 -1.14 0.00 0.00 176.83 175.90 3ite n LEU 214 N -4.83 0.46 -0.09 5.07 4.77 -0.34 -2.42 117.00 119.62 3ite n LEU 214 Ca 0.28 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.97 3ite n LEU 214 Cb 0.88 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 3ite n LEU 214 CO 0.18 -0.40 0.16 -0.62 -1.33 0.00 0.00 177.39 175.38 3ite n GLU 215 N -1.99 0.23 -0.11 3.23 1.02 0.39 -4.53 120.64 118.88 3ite n GLU 215 Ca 0.03 -0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.11 3ite n GLU 215 Cb 0.24 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.23 2.66 -4.66 -4.62 4.77 -1.02 -4.90 117.00 108.01 3ite n LEU 216 Ca 0.06 -1.08 -0.47 0.00 -0.03 0.00 0.00 56.01 54.49 3ite n LEU 216 Cb 0.35 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 3ite n LEU 216 CO 0.38 0.54 1.15 0.61 -1.33 0.00 0.00 177.39 178.74 3ite n GLY 217 N 1.34 1.04 3.11 -0.72 0.00 -1.25 -0.44 105.19 108.27 3ite n GLY 217 Ca 0.17 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 3.27 1.53 0.58 -0.02 0.00 -0.45 -4.78 105.19 105.32 3ite n GLY 218 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.39 1.61 0.31 0.41 -4.71 118.33 112.56 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 -0.70 0.19 0.00 -0.91 0.00 0.00 33.84 32.41 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 -4.25 1.61 -0.09 2.92 0.00 -0.25 -4.88 107.32 102.37 3ite s GLY 220 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.87 3ite s GLY 220 CO 0.00 -0.05 0.23 0.54 0.00 0.00 0.00 173.10 173.82 3ite s LYS 221 N -5.38 0.28 -0.24 2.90 1.02 -1.26 -1.29 119.74 115.76 3ite s LYS 221 Ca 0.68 0.32 -0.06 0.00 0.02 0.00 0.00 55.97 56.93 3ite s LYS 221 Cb -0.12 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 3ite s LYS 221 CO 0.55 -0.03 0.04 0.12 -0.92 0.00 0.00 175.35 175.10 3ite s PHE 222 N 0.10 3.05 -0.00 3.18 2.19 -0.49 -1.19 117.98 124.82 3ite s PHE 222 Ca -0.00 -0.59 -0.30 0.00 0.33 0.00 0.00 56.93 56.36 3ite s PHE 222 Cb -0.02 -2.20 -0.05 0.00 -1.31 0.00 0.00 43.02 39.44 3ite s PHE 222 CO 0.00 -0.42 1.28 -1.17 1.83 0.00 0.00 175.22 176.75 3ite s LEU 223 N 1.57 4.32 -0.81 6.12 2.96 -0.61 -1.47 118.68 130.76 3ite s LEU 223 Ca 0.06 2.00 -0.17 0.00 -0.22 0.00 0.00 54.13 55.80 3ite s LEU 223 Cb -0.15 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.14 3ite s LEU 223 CO 0.02 -0.61 0.87 0.00 -1.32 0.00 0.00 176.35 175.30 3ite n LEU 225 N 5.37 0.00 -4.77 0.00 7.94 -1.26 -4.60 117.00 119.67 3ite n LEU 225 Ca 0.12 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.61 3ite n LEU 225 Cb 0.47 0.35 -0.00 0.00 0.53 0.00 0.00 43.42 44.76 3ite n LEU 225 CO 0.45 0.35 1.06 0.00 -1.11 0.00 0.00 177.39 178.14 3ite s ALA 226 N -2.50 3.45 0.52 1.96 0.00 -1.26 -4.98 121.76 118.95 3ite s ALA 226 Ca -0.08 1.43 -0.21 0.00 0.00 0.00 0.00 51.96 53.11 3ite s ALA 226 Cb 0.06 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 3ite s ALA 226 CO 0.68 -0.96 1.01 0.45 0.00 0.00 0.00 175.76 176.94 3ite n SER 227 N 0.36 1.14 0.00 0.00 2.88 -1.26 -4.70 113.62 112.05 3ite n SER 227 Ca 0.02 0.91 0.08 0.00 -1.33 0.00 0.00 58.87 58.55 3ite n SER 227 Cb 0.41 -1.39 0.42 0.00 -0.75 0.00 0.00 64.21 62.90 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 -0.50 0.32 0.24 -1.46 1.74 -1.26 -1.95 116.66 113.79 3ite n ARG 228 Ca 0.11 0.09 0.16 0.00 -0.77 0.00 0.00 57.85 57.44 3ite n ARG 228 Cb 0.44 -1.50 0.61 0.00 -1.02 0.00 0.00 32.46 30.99 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 2.82 1.00 -3.28 7.54 0.00 -1.94 -3.45 119.26 121.96 3ite h ALA 229 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3ite h ALA 229 Cb 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 3ite h ALA 229 CO 0.00 0.00 -0.79 -0.06 0.00 0.00 0.00 179.25 178.40 3ite s PHE 230 N -3.56 2.46 -0.16 0.00 0.08 -0.82 -4.82 117.98 111.16 3ite s PHE 230 Ca 0.02 -0.29 0.29 0.00 0.12 0.00 0.00 56.93 57.07 3ite s PHE 230 Cb 0.09 -1.24 1.25 0.00 -0.57 0.00 0.00 43.02 42.55 3ite s PHE 230 CO 0.53 0.47 1.86 0.38 -0.10 0.00 0.00 175.22 178.36 3ite h ASP 231 N 3.25 0.00 -0.71 1.36 2.03 -1.88 -2.26 116.42 118.21 3ite h ASP 231 Ca -0.47 0.00 0.12 0.00 -0.73 0.00 0.00 57.03 55.95 3ite h ASP 231 Cb 1.20 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.65 3ite h ASP 231 CO 0.49 0.00 0.47 0.58 -1.03 0.00 0.00 179.24 179.75 3ite h VAL 232 N 0.00 0.86 -0.10 4.15 2.07 -1.92 -0.17 116.25 121.14 3ite h VAL 232 Ca 0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3ite h VAL 232 Cb 0.36 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3ite h VAL 232 CO 0.00 0.09 -0.14 1.12 0.02 0.00 0.00 177.57 178.66 3ite h HIS 233 N 0.48 0.16 -0.15 1.57 2.07 -1.61 -1.14 115.15 116.53 3ite h HIS 233 Ca 0.34 -0.02 -0.14 0.00 -2.85 0.00 0.00 60.37 57.70 3ite h HIS 233 Cb 0.67 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.60 3ite h HIS 233 CO -0.00 0.30 -0.45 0.82 -3.07 0.00 0.00 177.93 175.52 3ite h ILE 234 N 0.15 1.35 -0.87 6.12 2.04 -1.24 -3.16 117.51 121.90 3ite h ILE 234 Ca 0.03 -1.73 0.09 0.00 1.00 0.00 0.00 64.86 64.25 3ite h ILE 234 Cb 0.34 2.03 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 3ite h ILE 234 CO 0.02 0.53 0.52 1.23 0.00 0.00 0.00 178.15 180.45 3ite h GLY 235 N 0.21 1.35 -1.04 5.37 0.00 -1.10 -2.29 103.07 105.57 3ite h GLY 235 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3ite h GLY 235 CO 0.10 0.18 0.00 1.18 0.00 0.00 0.00 176.54 177.99 3ite n GLU 236 N -4.68 0.15 0.00 4.80 1.02 -0.46 -1.38 120.64 120.09 3ite n GLU 236 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3ite n GLU 236 Cb 0.26 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.44 0.00 -0.10 -0.32 3.72 -0.86 -1.59 117.46 118.75 3ite n PHE 238 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3ite n PHE 238 Cb 0.04 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.92 -0.30 4.37 3.38 -1.47 -0.00 115.31 122.21 3ite h LEU 239 Ca 0.00 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.63 3ite h LEU 239 Cb 0.00 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3ite h LEU 239 CO 0.00 1.18 -0.11 0.00 0.09 0.00 0.00 178.44 179.60 3ite h ALA 240 N 0.87 0.14 -0.12 1.53 0.00 -1.53 -2.44 119.26 117.70 3ite h ALA 240 Ca 0.07 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3ite h ALA 240 Cb 0.93 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ite h ALA 240 CO 0.09 -0.50 -0.43 -1.49 0.00 0.00 0.00 179.25 176.92 3ite h TRP 241 N -0.06 0.34 -1.00 0.00 6.55 -1.76 -0.04 115.95 119.98 3ite h TRP 241 Ca 0.15 -0.10 0.14 0.00 0.95 0.00 0.00 58.89 60.03 3ite h TRP 241 Cb 0.29 -0.07 -0.09 0.00 -0.86 0.00 0.00 29.16 28.42 3ite h TRP 241 CO -0.32 0.67 0.63 -0.09 -1.05 0.00 0.00 178.44 178.28 3ite h ARG 242 N 0.24 0.91 -0.19 0.49 9.65 -0.51 -2.25 114.38 122.72 3ite h ARG 242 Ca 0.02 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3ite h ARG 242 Cb 0.85 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 3ite h ARG 242 CO 0.07 0.60 0.00 1.19 2.80 0.00 0.00 179.97 184.63 3ite n PHE 243 N -4.66 0.22 -1.01 2.20 3.72 -0.94 -4.93 117.46 112.06 3ite n PHE 243 Ca 0.20 -0.11 -0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3ite n PHE 243 Cb 0.41 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 1.42 0.42 3.96 1.37 0.00 -0.85 -3.88 105.19 107.63 3ite n GLY 244 Ca 0.16 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.06 2.85 -0.24 0.99 1.43 -0.08 -1.33 118.68 122.23 3ite s LEU 245 Ca 0.00 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3ite s LEU 245 Cb 0.00 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 3ite s LEU 245 CO 0.00 -2.18 0.25 0.00 0.23 0.00 0.00 176.35 174.65 3ite s ALA 247 N 1.41 3.26 -0.04 0.00 0.00 0.44 -1.40 121.76 125.42 3ite s ALA 247 Ca 0.11 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.46 3ite s ALA 247 Cb -0.15 -3.85 -0.02 0.00 0.00 0.00 0.00 23.12 19.11 3ite s ALA 247 CO 0.07 -1.97 -0.22 0.54 0.00 0.00 0.00 175.76 174.18 3ite s VAL 248 N 5.10 2.37 0.32 0.00 0.11 -0.55 -0.87 120.40 126.88 3ite s VAL 248 Ca 0.67 -0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 58.63 3ite s VAL 248 Cb -0.22 -1.87 0.02 0.00 -1.53 0.00 0.00 36.38 32.78 3ite s VAL 248 CO 0.28 0.58 0.59 0.28 -3.33 0.00 0.00 175.10 173.50 3ite s THR 249 N -0.48 0.00 0.14 5.04 -1.32 -0.74 -0.10 115.64 118.19 3ite s THR 249 Ca 0.06 -1.30 -0.24 0.00 -1.21 0.00 0.00 61.69 58.99 3ite s THR 249 Cb -0.11 -2.49 0.08 0.00 -1.51 0.00 0.00 72.50 68.46 3ite s THR 249 CO 0.01 0.00 1.06 -0.83 -2.21 0.00 0.00 174.62 172.65 3ite s GLY 250 N -3.08 -0.06 0.13 6.08 0.00 -1.26 -0.57 107.32 108.54 3ite s GLY 250 Ca 0.21 -0.06 -0.35 0.00 0.00 0.00 0.00 44.72 44.52 3ite s GLY 250 CO 0.13 1.61 1.34 -2.21 0.00 0.00 0.00 173.10 173.97 3ite n GLU 251 N -0.62 1.35 -0.23 2.90 2.13 -1.26 -4.88 120.64 120.03 3ite n GLU 251 Ca -0.04 0.49 -0.07 0.00 0.66 0.00 0.00 57.16 58.20 3ite n GLU 251 Cb 0.60 -2.11 0.04 0.00 0.27 0.00 0.00 31.44 30.24 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 4.46 0.93 -0.86 5.31 3.08 -1.97 -1.71 114.38 123.62 3ite h ARG 252 Ca -0.46 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.47 3ite h ARG 252 Cb 1.32 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 3ite h ARG 252 CO 0.77 0.74 0.57 -0.07 -1.07 0.00 0.00 179.97 180.91 3ite h LEU 253 N 0.89 0.97 -1.59 3.04 3.38 -2.00 -0.39 115.31 119.60 3ite h LEU 253 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ite h LEU 253 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ite h LEU 253 CO -0.03 0.69 0.00 -1.20 0.09 0.00 0.00 178.44 177.99 3ite n SER 254 N -4.42 0.93 0.00 -0.43 7.64 -0.64 -2.01 113.62 114.69 3ite n SER 254 Ca 0.10 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.13 3ite n SER 254 Cb 0.05 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.58 0.00 -0.01 -3.43 4.77 -0.16 -4.26 117.00 114.50 3ite n LEU 256 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3ite n LEU 256 Cb 0.17 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3ite n LEU 256 CO 0.00 0.00 0.91 -0.78 -1.33 0.00 0.00 177.39 176.19 3ite h ASP 257 N 0.00 0.09 -3.13 -1.43 3.58 -1.63 -3.33 116.42 110.57 3ite h ASP 257 Ca 0.00 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.85 3ite h ASP 257 Cb 0.00 -0.01 -0.40 0.00 1.72 0.00 0.00 39.33 40.64 3ite h ASP 257 CO 0.00 0.07 -0.78 -0.62 -2.88 0.00 0.00 179.24 175.03 3ite s ASP 258 N -5.28 3.31 0.18 2.28 -1.08 -1.26 -5.01 116.67 109.81 3ite s ASP 258 Ca -0.13 -2.74 -0.13 0.00 -0.52 0.00 0.00 52.55 49.03 3ite s ASP 258 Cb 0.08 -0.89 0.12 0.00 -1.46 0.00 0.00 42.92 40.76 3ite s ASP 258 CO 0.68 -0.24 1.82 0.25 0.52 0.00 0.00 175.17 178.20 3ite h LEU 259 N 6.48 0.55 -0.66 -1.34 5.85 -1.93 -1.99 115.31 122.26 3ite h LEU 259 Ca 0.06 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3ite h LEU 259 Cb 0.91 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 3ite h LEU 259 CO 0.45 0.39 0.32 -0.65 -0.34 0.00 0.00 178.44 178.61 3ite h PRO 260 N 0.67 0.54 -0.92 5.25 0.11 -1.93 -1.99 132.00 133.73 3ite h PRO 260 Ca 0.22 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.33 3ite h PRO 260 Cb 0.02 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 30.95 3ite h PRO 260 CO -0.09 0.36 0.61 -0.09 -0.21 0.00 0.00 178.00 178.57 3ite h ARG 261 N 0.56 1.15 0.24 1.05 2.43 -1.71 -1.17 114.38 116.94 3ite h ARG 261 Ca 0.32 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3ite h ARG 261 Cb 0.33 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3ite h ARG 261 CO -0.26 0.76 -0.16 1.15 -1.51 0.00 0.00 179.97 179.96 3ite h THR 262 N 1.19 0.65 -0.27 0.20 2.02 -0.74 0.77 112.91 116.73 3ite h THR 262 Ca 0.36 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 3ite h THR 262 Cb -0.04 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3ite h THR 262 CO -0.10 0.00 0.08 -0.26 0.37 0.00 0.00 175.52 175.61 3ite h PHE 263 N -0.40 0.44 0.67 3.16 0.04 -1.26 -2.70 116.94 116.90 3ite h PHE 263 Ca -0.02 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 3ite h PHE 263 Cb 0.34 -0.13 0.01 0.00 2.20 0.00 0.00 35.95 38.37 3ite h PHE 263 CO -0.10 0.48 -0.32 -0.09 -0.60 0.00 0.00 178.31 177.67 3ite h ARG 264 N 0.28 -0.87 0.00 1.51 2.43 -1.18 -3.05 114.38 113.50 3ite h ARG 264 Ca 0.09 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3ite h ARG 264 Cb 0.24 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3ite h ARG 264 CO -0.00 -0.57 0.00 0.93 -1.51 0.00 0.00 179.97 178.82 3ite h GLU 265 N -0.95 0.00 -0.09 0.20 4.39 -0.90 -3.22 114.58 114.02 3ite h GLU 265 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3ite h GLU 265 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3ite h GLU 265 CO 0.15 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.28 3ite n LEU 266 N -2.84 2.61 -3.02 1.33 4.77 -1.02 -4.97 117.00 113.85 3ite n LEU 266 Ca 0.04 -0.93 -0.20 0.00 -0.03 0.00 0.00 56.01 54.90 3ite n LEU 266 Cb 0.49 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3ite n LEU 266 CO 0.33 0.46 0.20 0.61 -1.33 0.00 0.00 177.39 177.66 3ite n GLY 267 N 1.32 -0.27 3.70 -0.72 0.00 -1.22 -4.94 105.19 103.05 3ite n GLY 267 Ca 0.16 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.26 4.13 -0.02 1.61 1.01 -1.15 -4.19 120.40 118.52 3ite s VAL 268 Ca 0.48 1.49 0.13 0.00 0.00 0.00 0.00 61.98 64.08 3ite s VAL 268 Cb -0.21 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.02 3ite s VAL 268 CO 0.59 0.04 0.26 0.35 0.00 0.00 0.00 175.10 176.34 3ite n THR 269 N 4.37 0.06 -4.23 3.92 -2.24 -0.33 -2.61 114.28 113.21 3ite n THR 269 Ca 0.10 -0.31 -0.17 0.00 -2.27 0.00 0.00 64.05 61.41 3ite n THR 269 Cb 0.46 0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.84 0.67 0.22 4.78 3.76 -0.60 -0.40 115.29 120.87 3ite s HIS 270 Ca -0.05 -0.18 -0.21 0.00 -0.15 0.00 0.00 55.06 54.47 3ite s HIS 270 Cb 0.08 -0.42 0.04 0.00 1.11 0.00 0.00 32.58 33.39 3ite s HIS 270 CO 0.52 -0.02 0.64 0.00 -0.85 0.00 0.00 174.74 175.04 3ite s ALA 271 N -0.36 -1.33 0.02 -1.40 0.00 -0.88 -1.58 121.76 116.23 3ite s ALA 271 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3ite s ALA 271 Cb -0.04 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 3ite s ALA 271 CO -0.00 -0.90 -0.10 0.20 0.00 0.00 0.00 175.76 174.96 3ite s GLY 272 N -2.85 0.58 0.01 0.00 0.00 -1.26 -0.71 107.32 103.08 3ite s GLY 272 Ca 0.07 -0.62 -0.24 0.00 0.00 0.00 0.00 44.72 43.93 3ite s GLY 272 CO -0.02 -0.59 0.54 -1.50 0.00 0.00 0.00 173.10 171.53 3ite s ILE 273 N -0.67 0.02 0.28 0.90 2.07 -0.17 -4.86 121.20 118.77 3ite s ILE 273 Ca 0.00 -0.20 -0.29 0.00 -1.41 0.00 0.00 60.65 58.76 3ite s ILE 273 Cb -0.06 -0.93 -0.09 0.00 0.13 0.00 0.00 42.46 41.51 3ite s ILE 273 CO 0.00 -0.11 0.96 0.68 -1.91 0.00 0.00 174.94 174.57 3ite s VAL 274 N -1.89 4.03 0.24 4.00 -7.23 -1.26 -3.29 120.40 115.00 3ite s VAL 274 Ca -0.08 1.91 0.23 0.00 -1.81 0.00 0.00 61.98 62.23 3ite s VAL 274 Cb -0.01 -4.17 0.22 0.00 0.56 0.00 0.00 36.38 32.98 3ite s VAL 274 CO 0.03 0.36 1.88 1.55 -0.31 0.00 0.00 175.10 178.61 3ite h PRO 275 N 3.76 0.00 0.00 4.82 0.13 -1.86 -1.54 132.00 137.30 3ite h PRO 275 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 3ite h PRO 275 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ite h PRO 275 CO 0.67 0.23 -0.12 0.66 -0.23 0.00 0.00 178.00 179.21 3ite h SER 276 N 0.00 0.00 0.48 1.44 4.64 -1.91 0.93 113.55 119.13 3ite h SER 276 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3ite h SER 276 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3ite h SER 276 CO 0.03 0.12 -0.34 0.25 -0.87 0.00 0.00 176.83 176.03 3ite h LEU 277 N 0.00 0.00 -0.12 5.97 5.85 -1.67 0.11 115.31 125.45 3ite h LEU 277 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3ite h LEU 277 Cb 0.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3ite h LEU 277 CO 0.02 0.34 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.27 3ite h LEU 278 N 0.00 0.32 -0.15 2.25 3.38 -0.93 -2.18 115.31 118.00 3ite h LEU 278 Ca -0.00 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.53 3ite h LEU 278 Cb 0.67 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3ite h LEU 278 CO 0.04 0.73 -0.12 0.44 0.09 0.00 0.00 178.44 179.63 3ite h ASP 279 N -0.08 -0.39 -0.37 -0.43 3.32 -0.88 -0.80 116.42 116.79 3ite h ASP 279 Ca 0.02 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3ite h ASP 279 Cb 0.64 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 3ite h ASP 279 CO 0.03 -0.16 0.10 -0.61 -1.72 0.00 0.00 179.24 176.88 3ite h GLN 280 N -0.14 0.58 0.00 3.56 4.15 -0.72 -2.47 115.11 120.07 3ite h GLN 280 Ca 0.09 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3ite h GLN 280 Cb 0.28 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3ite h GLN 280 CO -0.23 0.61 -0.20 0.25 -1.93 0.00 0.00 178.83 177.33 3ite n THR 281 N -4.61 0.18 -1.58 2.39 -2.24 -0.83 -4.92 114.28 102.67 3ite n THR 281 Ca -0.01 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 3ite n THR 281 Cb 0.19 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.43 0.80 3.76 3.38 0.00 -0.33 -4.96 105.19 109.28 3ite n GLY 282 Ca 0.06 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.28 4.63 -4.23 0.99 7.94 -1.06 -5.02 117.00 118.97 3ite n LEU 283 Ca -0.11 1.21 -0.13 0.00 -1.11 0.00 0.00 56.01 55.87 3ite n LEU 283 Cb 0.42 -1.60 -0.10 0.00 0.53 0.00 0.00 43.42 42.67 3ite n LEU 283 CO 0.15 0.00 -0.37 0.68 -1.11 0.00 0.00 177.39 176.75 3ite s VAL 284 N -1.13 0.85 0.55 1.96 -7.23 -1.26 -4.91 120.40 109.23 3ite s VAL 284 Ca 0.55 -1.99 0.30 0.00 -1.81 0.00 0.00 61.98 59.03 3ite s VAL 284 Cb -0.49 -1.91 0.45 0.00 0.56 0.00 0.00 36.38 34.99 3ite s VAL 284 CO 0.63 -0.67 1.90 -0.65 -0.31 0.00 0.00 175.10 176.00 3ite h PRO 285 N 2.79 0.00 0.00 4.82 0.11 -1.94 0.15 132.00 137.93 3ite h PRO 285 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3ite h PRO 285 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ite h PRO 285 CO 0.64 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.36 3ite h GLU 286 N 0.00 0.00 0.00 1.05 3.07 -1.98 -1.41 114.58 115.31 3ite h GLU 286 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3ite h GLU 286 Cb 1.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 3ite h GLU 286 CO -0.00 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.17 3ite h ASP 287 N 0.00 0.00 -2.15 1.42 3.32 -1.08 -3.36 116.42 114.57 3ite h ASP 287 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3ite h ASP 287 Cb 0.52 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.66 3ite h ASP 287 CO 0.00 0.00 -0.78 0.00 -1.72 0.00 0.00 179.24 176.74 3ite n ALA 288 N -2.02 3.62 0.31 3.45 0.00 -0.53 -3.22 120.51 122.12 3ite n ALA 288 Ca 0.01 -4.31 0.18 0.00 0.00 0.00 0.00 53.44 49.32 3ite n ALA 288 Cb 0.27 -0.85 1.02 0.00 0.00 0.00 0.00 19.45 19.90 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 3.75 0.00 -0.02 0.00 0.11 -1.72 -1.16 132.00 132.95 3ite h PRO 289 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3ite h PRO 289 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3ite h PRO 289 CO 0.71 0.01 -0.36 0.72 -0.21 0.00 0.00 178.00 178.87 3ite n HIS 290 N -3.51 0.00 -1.94 0.65 8.25 -1.26 -4.98 115.22 112.42 3ite n HIS 290 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3ite n HIS 290 Cb 0.09 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.42 4.37 0.00 2.41 2.96 -0.44 -4.30 118.68 121.27 3ite s LEU 291 Ca 0.22 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.80 3ite s LEU 291 Cb 0.19 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3ite s LEU 291 CO 0.52 -0.79 0.00 1.33 -1.32 0.00 0.00 176.35 176.10 3ite n VAL 292 N 3.14 0.00 -3.74 1.68 0.24 0.46 -4.38 118.33 115.73 3ite n VAL 292 Ca 0.11 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 3ite n VAL 292 Cb 0.39 0.84 -0.13 0.00 -1.47 0.00 0.00 33.84 33.47 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 -1.29 -0.30 -0.22 6.34 5.04 -1.08 -1.19 117.35 124.65 3ite s TYR 293 Ca 0.00 0.72 -0.04 0.00 -2.44 0.00 0.00 57.07 55.31 3ite s TYR 293 Cb 0.00 0.04 0.07 0.00 0.35 0.00 0.00 41.96 42.43 3ite s TYR 293 CO 0.00 -0.20 0.08 -1.17 -1.34 0.00 0.00 175.55 172.92 3ite s LEU 294 N 1.01 0.89 0.16 6.97 2.96 0.46 -2.08 118.68 129.04 3ite s LEU 294 Ca -0.07 -0.97 -0.26 0.00 -0.22 0.00 0.00 54.13 52.61 3ite s LEU 294 Cb -0.09 -0.46 -0.08 0.00 0.50 0.00 0.00 46.19 46.07 3ite s LEU 294 CO -0.06 -0.37 0.81 -0.83 -1.32 0.00 0.00 176.35 174.58 3ite s GLY 295 N 1.98 2.94 0.15 7.98 0.00 0.11 -1.81 107.32 118.66 3ite s GLY 295 Ca 0.04 0.40 0.07 0.00 0.00 0.00 0.00 44.72 45.23 3ite s GLY 295 CO -0.17 0.98 -0.14 -1.34 0.00 0.00 0.00 173.10 172.42 3ite s VAL 296 N -0.94 1.49 -0.08 1.40 -7.23 0.50 -1.00 120.40 114.54 3ite s VAL 296 Ca 0.38 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.34 3ite s VAL 296 Cb -0.23 -1.74 0.11 0.00 0.56 0.00 0.00 36.38 35.08 3ite s VAL 296 CO 0.27 -0.47 1.37 -0.83 -0.31 0.00 0.00 175.10 175.13 3ite s GLY 297 N -2.76 -0.27 0.00 2.32 0.00 -1.21 -0.47 107.32 104.94 3ite s GLY 297 Ca 0.14 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.17 3ite s GLY 297 CO 0.04 5.31 0.00 0.61 0.00 0.00 0.00 173.10 179.06 3ite n GLY 298 N -0.87 2.21 3.57 0.20 0.00 -1.26 -4.37 105.19 104.67 3ite n GLY 298 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.93 0.97 0.00 1.61 -1.05 -1.26 -3.98 118.70 114.06 3ite s GLU 299 Ca 0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 3ite s GLU 299 Cb 0.00 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 3ite s GLU 299 CO 0.00 -0.43 0.00 1.17 0.95 0.00 0.00 175.26 176.95 3ite n LYS 300 N -0.32 2.63 -4.38 -4.83 4.81 -1.26 -4.77 118.16 110.04 3ite n LYS 300 Ca -0.09 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.11 3ite n LYS 300 Cb 0.62 0.00 -0.09 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 2.86 0.28 3.15 -4.23 -1.26 -4.87 115.64 111.57 3ite s THR 302 Ca 0.00 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 3ite s THR 302 Cb 0.00 -2.47 0.27 0.00 1.34 0.00 0.00 72.50 71.65 3ite s THR 302 CO 0.00 -0.28 1.77 -0.65 -0.54 0.00 0.00 174.62 174.92 3ite h PRO 303 N 2.47 0.69 -0.22 3.99 0.11 -2.04 -1.98 132.00 135.03 3ite h PRO 303 Ca -0.44 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 3ite h PRO 303 Cb 1.24 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ite h PRO 303 CO 0.57 0.46 -0.59 -0.09 -0.21 0.00 0.00 178.00 178.13 3ite h ARG 304 N 0.71 0.73 -0.19 1.05 2.43 -2.04 -1.69 114.38 115.38 3ite h ARG 304 Ca 0.53 -0.49 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3ite h ARG 304 Cb 0.77 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 3ite h ARG 304 CO -0.37 1.11 -0.06 1.15 -1.51 0.00 0.00 179.97 180.29 3ite h THR 305 N 0.55 0.77 -0.56 0.20 2.02 -1.80 -0.32 112.91 113.78 3ite h THR 305 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 3ite h THR 305 Cb 1.18 0.77 -0.10 0.00 -1.74 0.00 0.00 68.15 68.26 3ite h THR 305 CO 0.12 0.00 -0.08 -0.61 0.37 0.00 0.00 175.52 175.32 3ite h GLN 306 N -0.02 0.04 -0.61 6.66 4.15 -1.28 0.05 115.11 124.10 3ite h GLN 306 Ca 0.10 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 3ite h GLN 306 Cb 0.17 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 3ite h GLN 306 CO -0.21 0.03 0.20 1.96 -1.93 0.00 0.00 178.83 178.88 3ite h GLN 307 N 0.05 0.95 -0.23 1.69 4.20 -0.71 0.47 115.11 121.53 3ite h GLN 307 Ca 0.28 -0.20 -0.20 0.00 0.06 0.00 0.00 58.65 58.59 3ite h GLN 307 Cb 0.44 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3ite h GLN 307 CO -0.53 0.84 -0.64 0.82 -0.67 0.00 0.00 178.83 178.65 3ite h ILE 308 N 0.88 1.28 0.00 2.54 1.08 -0.42 -3.38 117.51 119.48 3ite h ILE 308 Ca 0.20 -1.84 0.00 0.00 -0.39 0.00 0.00 64.86 62.83 3ite h ILE 308 Cb 0.28 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 3ite h ILE 308 CO -0.01 0.59 -1.43 0.79 -0.69 0.00 0.00 178.15 177.41 3ite n TRP 309 N -3.97 0.00 1.32 1.37 7.02 -0.06 -4.50 117.44 118.63 3ite n TRP 309 Ca -0.05 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.56 3ite n TRP 309 Cb 0.67 -0.25 0.38 0.00 -2.42 0.00 0.00 31.31 29.69 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 -1.84 1.88 -0.31 -0.99 3.41 0.13 -4.13 113.62 111.78 3ite n SER 310 Ca -0.01 -1.58 0.09 0.00 -0.26 0.00 0.00 58.87 57.12 3ite n SER 310 Cb 0.39 0.03 0.17 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.41 2.79 -4.86 4.04 3.41 -1.26 -3.96 113.62 114.18 3ite n SER 311 Ca 0.17 -3.05 -0.32 0.00 -0.26 0.00 0.00 58.87 55.41 3ite n SER 311 Cb 0.43 -0.46 -0.05 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 -2.57 6.68 0.00 4.04 0.15 -1.26 -4.97 113.70 115.77 3ite s SER 312 Ca 0.34 1.14 0.19 0.00 0.70 0.00 0.00 55.95 58.32 3ite s SER 312 Cb 0.29 -2.32 0.36 0.00 -1.71 0.00 0.00 66.02 62.65 3ite s SER 312 CO 0.05 -0.20 1.30 -0.90 1.20 0.00 0.00 173.24 174.68 3ite n ASP 313 N -0.46 3.17 -0.12 5.45 5.68 -1.26 -4.41 116.55 124.59 3ite n ASP 313 Ca 0.02 -1.91 -0.19 0.00 -0.50 0.00 0.00 54.79 52.21 3ite n ASP 313 Cb 0.53 -0.22 -0.10 0.00 -1.14 0.00 0.00 41.12 40.19 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 1.18 0.56 -3.50 0.11 0.63 -1.26 -4.97 116.66 109.40 3ite n ARG 314 Ca 0.16 0.16 -0.38 0.00 -0.92 0.00 0.00 57.85 56.88 3ite n ARG 314 Cb 0.52 -1.43 -0.09 0.00 0.45 0.00 0.00 32.46 31.92 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 -2.46 5.26 -0.13 5.15 1.01 -1.26 -4.45 120.40 123.53 3ite s VAL 315 Ca -0.32 0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 3ite s VAL 315 Cb 0.10 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3ite s VAL 315 CO 0.50 0.28 0.66 0.00 0.00 0.00 0.00 175.10 176.54 3ite s ALA 316 N 1.33 3.45 -0.18 5.51 0.00 -0.33 -4.52 121.76 127.01 3ite s ALA 316 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 3ite s ALA 316 Cb -0.14 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3ite s ALA 316 CO 0.07 -0.31 -0.03 -1.17 0.00 0.00 0.00 175.76 174.32 3ite s LEU 317 N 1.32 3.21 -0.08 0.00 2.96 -1.26 -0.40 118.68 124.42 3ite s LEU 317 Ca 0.33 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3ite s LEU 317 Cb -0.17 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.76 3ite s LEU 317 CO 0.14 0.12 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.53 3ite s VAL 318 N 0.69 0.84 0.03 1.68 1.01 -0.75 -0.52 120.40 123.38 3ite s VAL 318 Ca -0.02 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 3ite s VAL 318 Cb -0.14 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 3ite s VAL 318 CO 0.02 0.32 0.67 0.21 0.00 0.00 0.00 175.10 176.32 3ite s ASN 319 N 1.35 7.09 -0.07 3.32 2.47 0.01 -0.37 114.94 128.75 3ite s ASN 319 Ca -0.03 1.30 0.03 0.00 0.42 0.00 0.00 52.86 54.58 3ite s ASN 319 Cb -0.14 -2.41 0.01 0.00 -1.45 0.00 0.00 41.25 37.26 3ite s ASN 319 CO -0.03 0.09 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.59 3ite s VAL 320 N -0.24 1.33 -0.18 -5.21 1.01 0.38 -1.72 120.40 115.76 3ite s VAL 320 Ca 0.34 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 3ite s VAL 320 Cb -0.19 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3ite s VAL 320 CO 0.20 0.40 -0.03 -0.47 0.00 0.00 0.00 175.10 175.19 3ite s TYR 321 N 0.49 3.00 -0.50 5.22 5.04 -0.13 -4.26 117.35 126.22 3ite s TYR 321 Ca -0.13 -0.48 0.07 0.00 -2.44 0.00 0.00 57.07 54.08 3ite s TYR 321 Cb -0.15 -2.02 0.21 0.00 0.35 0.00 0.00 41.96 40.35 3ite s TYR 321 CO 0.04 -0.21 0.76 0.41 -1.34 0.00 0.00 175.55 175.21 3ite n GLY 322 N 4.00 -0.11 3.74 8.97 0.00 -1.26 -1.12 105.19 119.42 3ite n GLY 322 Ca -0.17 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 2.43 2.50 -0.28 1.61 -0.02 -1.26 -4.67 135.00 135.32 3ite n PRO 323 Ca 0.16 0.88 0.16 0.00 -2.02 0.00 0.00 63.50 62.68 3ite n PRO 323 Cb 0.58 -2.58 0.43 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.91 0.72 0.00 3.45 2.02 -1.97 -1.27 112.91 118.77 3ite h THR 324 Ca -0.49 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3ite h THR 324 Cb 1.25 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ite h THR 324 CO 0.67 0.10 0.00 -0.62 0.37 0.00 0.00 175.52 176.04 3ite n GLU 325 N -4.58 0.10 -2.02 6.66 4.71 -1.26 -2.37 120.64 121.86 3ite n GLU 325 Ca 0.20 0.48 -0.17 0.00 -0.01 0.00 0.00 57.16 57.66 3ite n GLU 325 Cb 0.61 -1.75 0.04 0.00 -1.01 0.00 0.00 31.44 29.34 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 -1.94 2.26 -3.30 2.62 0.31 -0.48 -1.44 118.33 116.36 3ite n VAL 326 Ca 0.01 -3.88 -0.10 0.00 -0.01 0.00 0.00 64.34 60.36 3ite n VAL 326 Cb 0.10 -0.64 0.01 0.00 -0.91 0.00 0.00 33.84 32.40 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 -0.70 -8.15 0.00 2.52 -1.04 -1.00 -4.17 114.28 101.73 3ite n THR 327 Ca 0.35 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3ite n THR 327 Cb 0.92 -5.76 0.00 0.00 -1.82 0.00 0.00 70.33 63.68 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 -2.32 0.00 -3.17 12.58 5.41 -1.25 -4.56 119.36 126.05 3ite n ILE 328 Ca -0.09 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.69 3ite n ILE 328 Cb 0.56 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.48 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 -0.94 0.00 7.39 0.00 -1.26 -4.23 107.32 108.28 3ite s GLY 329 Ca 0.00 1.72 0.11 0.00 0.00 0.00 0.00 44.72 46.55 3ite s GLY 329 CO 0.00 3.31 0.57 0.00 0.00 0.00 0.00 173.10 176.98 3ite s SER 331 N -1.78 -0.16 0.10 0.00 0.15 -1.13 -0.49 113.70 110.39 3ite s SER 331 Ca 0.07 0.29 -0.19 0.00 0.70 0.00 0.00 55.95 56.81 3ite s SER 331 Cb 0.09 0.34 0.05 0.00 -1.71 0.00 0.00 66.02 64.78 3ite s SER 331 CO 0.37 -0.10 0.47 0.00 1.20 0.00 0.00 173.24 175.19 3ite s ALA 332 N -0.09 -1.18 -0.05 5.45 0.00 -0.91 -0.96 121.76 124.03 3ite s ALA 332 Ca -0.02 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 3ite s ALA 332 Cb -0.02 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.74 3ite s ALA 332 CO 0.00 -0.60 0.46 0.20 0.00 0.00 0.00 175.76 175.82 3ite s GLY 333 N -2.46 -0.33 0.36 0.00 0.00 -0.70 -1.47 107.32 102.74 3ite s GLY 333 Ca -0.01 0.81 -0.28 0.00 0.00 0.00 0.00 44.72 45.25 3ite s GLY 333 CO -0.08 0.56 1.39 -1.60 0.00 0.00 0.00 173.10 173.36 3ite s ARG 334 N -1.05 4.18 -0.22 2.90 3.52 -1.26 -0.81 118.95 126.20 3ite s ARG 334 Ca -0.11 2.37 -0.06 0.00 -0.13 0.00 0.00 55.73 57.79 3ite s ARG 334 Cb -0.03 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 3ite s ARG 334 CO 0.06 -0.40 0.04 0.42 -0.81 0.00 0.00 175.30 174.61 3ite s ILE 335 N -1.15 4.22 0.46 4.11 -1.09 0.33 -4.85 121.20 123.23 3ite s ILE 335 Ca 0.52 -0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.79 3ite s ILE 335 Cb -0.43 -2.94 -0.01 0.00 -1.58 0.00 0.00 42.46 37.50 3ite s ILE 335 CO 0.57 0.38 0.33 -0.76 -1.23 0.00 0.00 174.94 174.23 3ite s LEU 336 N 1.26 3.08 0.50 2.97 1.43 -1.26 -4.60 118.68 122.05 3ite s LEU 336 Ca 0.04 -1.02 0.16 0.00 -1.03 0.00 0.00 54.13 52.29 3ite s LEU 336 Cb -0.15 -1.58 1.21 0.00 0.03 0.00 0.00 46.19 45.70 3ite s LEU 336 CO 0.03 -0.77 2.09 -0.65 0.23 0.00 0.00 176.35 177.28 3ite h PRO 337 N 1.06 0.12 -0.15 1.29 0.11 -1.89 -0.97 132.00 131.56 3ite h PRO 337 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3ite h PRO 337 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ite h PRO 337 CO 0.61 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3ite n ASP 338 N -4.50 2.28 -4.77 -2.05 5.75 -1.26 -4.96 116.55 107.04 3ite n ASP 338 Ca 0.01 -1.78 -0.40 0.00 -0.01 0.00 0.00 54.79 52.61 3ite n ASP 338 Cb 0.20 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.73 6.45 0.17 -1.12 0.01 -0.37 -5.00 113.70 112.11 3ite s SER 339 Ca 0.34 2.72 -0.31 0.00 1.31 0.00 0.00 55.95 60.01 3ite s SER 339 Cb 0.20 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 3ite s SER 339 CO 0.30 -0.76 1.47 -0.62 0.41 0.00 0.00 173.24 174.04 3ite s ASP 340 N -0.59 6.69 0.00 2.44 -1.08 -1.26 -4.92 116.67 117.95 3ite s ASP 340 Ca 0.54 2.53 0.27 0.00 -0.52 0.00 0.00 52.55 55.38 3ite s ASP 340 Cb -0.40 -2.60 1.29 0.00 -1.46 0.00 0.00 42.92 39.75 3ite s ASP 340 CO 0.52 -0.73 1.91 0.35 0.52 0.00 0.00 175.17 177.75 3ite n THR 341 N 3.50 0.11 1.14 1.71 -2.24 -1.26 -2.13 114.28 115.12 3ite n THR 341 Ca 0.11 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 3ite n THR 341 Cb 0.40 -0.57 0.60 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.39 0.18 -2.08 -0.78 1.74 -1.26 -4.87 116.66 108.20 3ite n ARG 342 Ca 0.10 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 3ite n ARG 342 Cb 0.27 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 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 5.43 1.69 -3.66 0.00 -5.35 0.54 -4.81 119.36 113.20 3ite n ILE 344 Ca 0.17 -1.24 0.00 0.00 -0.27 0.00 0.00 62.75 61.40 3ite n ILE 344 Cb 0.43 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 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 0.83 0.38 3.36 3.28 0.00 -1.24 -2.20 105.19 109.60 3ite n GLY 345 Ca 0.23 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 2.14 0.59 1.61 3.76 -0.54 -1.48 115.29 121.36 3ite s HIS 346 Ca 0.00 -0.39 -0.20 0.00 -0.15 0.00 0.00 55.06 54.32 3ite s HIS 346 Cb 0.00 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 3ite s HIS 346 CO 0.00 0.32 1.23 -2.30 -0.85 0.00 0.00 174.74 173.14 3ite n PRO 347 N 0.87 1.31 -3.60 8.40 -0.02 -1.26 -2.13 135.00 138.57 3ite n PRO 347 Ca -0.18 0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 3ite n PRO 347 Cb 0.54 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 3ite n PRO 347 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ite s LEU 348 N -3.28 4.20 0.00 2.45 1.43 0.36 -4.83 118.68 119.01 3ite s LEU 348 Ca 0.76 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 3ite s LEU 348 Cb -0.41 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3ite s LEU 348 CO 0.46 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.61 3ite n GLY 349 N -0.42 3.26 0.84 -3.19 0.00 -1.26 -1.32 105.19 103.10 3ite n GLY 349 Ca -0.03 -0.13 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 3.46 2.42 -4.76 1.61 5.68 -1.26 -4.95 116.55 118.75 3ite n ASP 350 Ca 0.00 -2.06 -0.38 0.00 -0.50 0.00 0.00 54.79 51.85 3ite n ASP 350 Cb 0.00 -0.32 0.02 0.00 -1.14 0.00 0.00 41.12 39.68 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 -0.93 5.58 -0.12 -1.12 0.01 -0.43 -4.73 113.70 111.96 3ite s SER 351 Ca 0.28 2.61 0.03 0.00 1.31 0.00 0.00 55.95 60.18 3ite s SER 351 Cb 0.16 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.77 3ite s SER 351 CO 0.18 -1.35 -0.21 -0.69 0.41 0.00 0.00 173.24 171.58 3ite s VAL 352 N -1.38 1.89 -0.08 3.43 1.01 0.50 -4.72 120.40 121.05 3ite s VAL 352 Ca 0.69 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 3ite s VAL 352 Cb -0.36 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3ite s VAL 352 CO 0.43 0.52 0.49 0.00 0.00 0.00 0.00 175.10 176.55 3ite s ALA 353 N 0.68 3.50 0.05 5.51 0.00 -1.26 -1.29 121.76 128.95 3ite s ALA 353 Ca -0.11 -0.15 0.08 0.00 0.00 0.00 0.00 51.96 51.78 3ite s ALA 353 Cb -0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 3ite s ALA 353 CO 0.02 0.08 -0.21 -1.01 0.00 0.00 0.00 175.76 174.64 3ite s HIS 354 N 0.30 2.47 -0.27 0.00 3.76 -0.11 -4.97 115.29 116.47 3ite s HIS 354 Ca 0.27 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.82 3ite s HIS 354 Cb -0.16 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.11 3ite s HIS 354 CO 0.12 0.22 0.02 0.08 -0.85 0.00 0.00 174.74 174.32 3ite s VAL 355 N -0.89 3.55 0.21 -0.90 1.01 -1.26 -0.51 120.40 121.60 3ite s VAL 355 Ca 0.14 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.47 3ite s VAL 355 Cb -0.10 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3ite s VAL 355 CO 0.04 0.18 -0.12 -0.76 0.00 0.00 0.00 175.10 174.45 3ite s LEU 356 N 1.45 2.87 0.26 3.92 1.43 -0.09 -1.50 118.68 127.02 3ite s LEU 356 Ca 0.02 -0.71 -0.31 0.00 -1.03 0.00 0.00 54.13 52.11 3ite s LEU 356 Cb -0.16 -1.51 -0.13 0.00 0.03 0.00 0.00 46.19 44.42 3ite s LEU 356 CO -0.01 0.08 1.50 0.00 0.23 0.00 0.00 176.35 178.15 3ite n ALA 357 N -0.21 1.76 -0.33 4.21 0.00 -0.04 -0.10 120.51 125.81 3ite n ALA 357 Ca -0.09 0.40 0.31 0.00 0.00 0.00 0.00 53.44 54.05 3ite n ALA 357 Cb 0.57 -2.36 0.66 0.00 0.00 0.00 0.00 19.45 18.31 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 4.55 0.15 -0.16 0.00 0.11 -1.92 -2.11 132.00 132.61 3ite h PRO 358 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.78 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 3ite n GLY 359 N -1.65 1.08 0.00 -0.55 0.00 -1.26 -5.00 105.19 97.81 3ite n GLY 359 Ca 0.26 -0.62 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 1.23 0.00 -0.92 1.61 3.41 -0.79 -5.03 113.62 113.12 3ite n SER 360 Ca 0.14 -0.62 0.08 0.00 -0.26 0.00 0.00 58.87 58.21 3ite n SER 360 Cb 0.54 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.78 3.74 -4.71 4.04 3.02 -1.26 -4.53 115.26 113.79 3ite n ASN 361 Ca 0.00 -2.64 -0.41 0.00 -0.03 0.00 0.00 54.58 51.51 3ite n ASN 361 Cb 0.00 -0.45 -0.04 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 -2.15 4.44 0.38 3.52 0.41 -1.26 -4.92 118.70 119.12 3ite s GLU 362 Ca 0.37 1.06 -0.27 0.00 -0.41 0.00 0.00 54.97 55.72 3ite s GLU 362 Cb 0.27 -3.48 -0.09 0.00 -1.78 0.00 0.00 34.13 29.05 3ite s GLU 362 CO 0.13 -0.05 1.30 -1.01 -0.49 0.00 0.00 175.26 175.14 3ite s HIS 363 N 1.13 2.92 0.44 1.61 3.76 -1.26 -0.86 115.29 123.03 3ite s HIS 363 Ca 0.42 1.42 -0.02 0.00 -0.15 0.00 0.00 55.06 56.72 3ite s HIS 363 Cb -0.18 -3.66 -0.02 0.00 1.11 0.00 0.00 32.58 29.82 3ite s HIS 363 CO 0.20 -1.97 0.69 0.14 -0.85 0.00 0.00 174.74 172.95 3ite s VAL 364 N -1.22 4.63 0.28 -0.90 -7.23 -0.56 -4.81 120.40 110.58 3ite s VAL 364 Ca 0.54 -0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.21 3ite s VAL 364 Cb -0.38 -3.73 -0.10 0.00 0.56 0.00 0.00 36.38 32.72 3ite s VAL 364 CO 0.50 -0.59 1.42 -0.54 -0.31 0.00 0.00 175.10 175.58 3ite s LYS 365 N -4.58 4.27 0.22 4.82 1.02 -1.26 -4.89 119.74 119.33 3ite s LYS 365 Ca 0.46 2.32 -0.32 0.00 0.02 0.00 0.00 55.97 58.45 3ite s LYS 365 Cb -0.10 -3.09 -0.14 0.00 -0.52 0.00 0.00 37.83 33.98 3ite s LYS 365 CO 0.40 -0.39 1.31 1.17 -0.92 0.00 0.00 175.35 176.92 3ite n LYS 366 N 1.86 1.71 0.00 1.68 4.81 -1.26 -4.78 118.16 122.19 3ite n LYS 366 Ca 0.05 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 3ite n LYS 366 Cb 0.40 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 2.05 0.83 3.33 3.14 0.00 -1.26 -5.11 105.19 108.17 3ite n GLY 367 Ca 0.13 0.00 -0.29 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 -1.63 2.17 0.18 4.61 0.00 -1.26 -4.92 121.76 120.90 3ite s ALA 369 Ca 0.00 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.53 3ite s ALA 369 Cb 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 23.12 22.74 3ite s ALA 369 CO 0.00 0.51 0.92 0.41 0.00 0.00 0.00 175.76 177.60 3ite n GLY 370 N 1.75 0.69 3.71 0.00 0.00 -0.09 -4.92 105.19 106.32 3ite n GLY 370 Ca -0.17 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.05 4.56 0.01 1.61 2.12 0.86 -0.69 118.70 125.13 3ite s GLU 371 Ca 0.20 1.49 -0.30 0.00 0.36 0.00 0.00 54.97 56.72 3ite s GLU 371 Cb -0.03 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3ite s GLU 371 CO 0.05 -0.04 1.26 -1.17 -0.54 0.00 0.00 175.26 174.83 3ite s LEU 372 N 0.80 4.33 -0.09 2.70 2.96 -0.19 -0.92 118.68 128.27 3ite s LEU 372 Ca 0.52 1.99 0.01 0.00 -0.22 0.00 0.00 54.13 56.43 3ite s LEU 372 Cb -0.23 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.91 3ite s LEU 372 CO 0.29 -0.58 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.94 3ite s VAL 373 N 1.79 1.09 -0.06 1.68 1.01 0.33 -1.63 120.40 124.61 3ite s VAL 373 Ca 0.59 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 3ite s VAL 373 Cb -0.29 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3ite s VAL 373 CO 0.26 0.36 0.04 -0.63 0.00 0.00 0.00 175.10 175.13 3ite s ILE 374 N 1.19 4.56 0.07 2.22 -1.09 0.21 -0.93 121.20 127.43 3ite s ILE 374 Ca -0.04 -0.26 0.07 0.00 -2.23 0.00 0.00 60.65 58.18 3ite s ILE 374 Cb -0.14 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 3ite s ILE 374 CO -0.03 0.52 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.32 3ite s GLU 375 N -1.18 1.09 0.00 2.79 2.12 -0.41 -0.53 118.70 122.58 3ite s GLU 375 Ca 0.16 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.51 3ite s GLU 375 Cb -0.12 -1.22 0.00 0.00 0.26 0.00 0.00 34.13 33.06 3ite s GLU 375 CO 0.06 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.48 3ite n GLY 376 N 1.48 0.56 0.00 -1.50 0.00 -1.26 -0.37 105.19 104.11 3ite n GLY 376 Ca -0.19 -2.15 0.09 0.00 0.00 0.00 0.00 46.02 43.77 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 0.95 0.00 -0.20 1.61 7.64 -1.26 -2.06 113.62 120.29 3ite n SER 377 Ca 0.00 0.03 0.11 0.00 1.01 0.00 0.00 58.87 60.02 3ite n SER 377 Cb 0.00 -0.29 0.02 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 -1.29 1.31 -4.69 -3.43 4.77 -1.26 -3.99 117.00 108.43 3ite n LEU 378 Ca 0.09 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 3ite n LEU 378 Cb 0.15 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3ite n LEU 378 CO 0.14 0.28 1.10 -0.69 -1.33 0.00 0.00 177.39 176.89 3ite s VAL 379 N -2.76 3.79 0.96 4.08 1.01 -0.88 -3.16 120.40 123.44 3ite s VAL 379 Ca 0.14 1.16 -0.12 0.00 0.00 0.00 0.00 61.98 63.15 3ite s VAL 379 Cb 0.17 -3.74 0.17 0.00 0.00 0.00 0.00 36.38 32.98 3ite s VAL 379 CO 0.71 -0.01 1.11 0.00 0.00 0.00 0.00 175.10 176.91 3ite s ALA 380 N 2.45 1.26 0.21 5.51 0.00 -0.52 -4.93 121.76 125.74 3ite s ALA 380 Ca 0.63 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 3ite s ALA 380 Cb -0.30 -3.10 0.16 0.00 0.00 0.00 0.00 23.12 19.88 3ite s ALA 380 CO 0.26 -2.62 1.73 -0.91 0.00 0.00 0.00 175.76 174.21 3ite h ASN 381 N -1.74 1.03 -1.83 0.00 2.35 -1.32 -3.49 115.58 110.58 3ite h ASN 381 Ca -0.53 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 3ite h ASN 381 Cb 1.33 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.42 3ite h ASN 381 CO 0.59 1.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.97 3ite n GLY 382 N -0.68 -0.75 3.83 2.83 0.00 -1.25 -5.01 105.19 104.17 3ite n GLY 382 Ca 0.05 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.99 3.36 -0.45 1.61 2.02 -1.26 -1.30 117.35 119.34 3ite s TYR 383 Ca 0.00 1.40 -0.26 0.00 -0.37 0.00 0.00 57.07 57.84 3ite s TYR 383 Cb 0.00 -2.68 0.03 0.00 -0.40 0.00 0.00 41.96 38.91 3ite s TYR 383 CO 0.00 0.02 0.95 -1.17 -1.57 0.00 0.00 175.55 173.78 3ite s LEU 384 N -3.02 3.96 -1.31 -1.29 2.96 -0.17 -4.37 118.68 115.44 3ite s LEU 384 Ca 0.57 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3ite s LEU 384 Cb -0.10 -3.25 0.01 0.00 0.50 0.00 0.00 46.19 43.35 3ite s LEU 384 CO 0.16 -1.04 0.89 0.59 -1.32 0.00 0.00 176.35 175.63 3ite n ASN 385 N 7.18 -2.52 -3.27 3.68 3.02 -1.26 -4.63 115.26 117.46 3ite n ASN 385 Ca 0.07 -0.72 -0.25 0.00 -0.03 0.00 0.00 54.58 53.65 3ite n ASN 385 Cb 0.48 -4.50 -0.07 0.00 -0.61 0.00 0.00 39.78 35.09 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 -4.37 1.44 0.29 3.52 5.12 -1.26 -4.97 116.66 116.43 3ite n ARG 386 Ca -0.22 -3.80 0.15 0.00 -1.93 0.00 0.00 57.85 52.05 3ite n ARG 386 Cb 0.64 -1.63 0.89 0.00 -1.16 0.00 0.00 32.46 31.20 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 4.02 0.00 0.00 5.56 0.13 -1.93 -1.72 132.00 138.07 3ite h PRO 387 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ite h PRO 387 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3ite h PRO 387 CO 0.61 0.01 -0.34 -0.25 -0.23 0.00 0.00 178.00 177.80 3ite n ASP 388 N -3.86 0.42 -4.64 1.44 8.00 -1.26 -4.80 116.55 111.85 3ite n ASP 388 Ca -0.03 0.10 -0.43 0.00 0.71 0.00 0.00 54.79 55.14 3ite n ASP 388 Cb 0.10 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 -3.04 3.55 0.59 2.24 0.00 -0.65 -5.03 121.76 119.42 3ite s ALA 389 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3ite s ALA 389 Cb 0.17 -3.61 0.07 0.00 0.00 0.00 0.00 23.12 19.74 3ite s ALA 389 CO 0.65 -1.35 0.82 0.15 0.00 0.00 0.00 175.76 176.02 3ite s LYS 390 N 3.48 2.29 0.00 0.00 1.02 -1.26 -4.75 119.74 120.51 3ite s LYS 390 Ca 0.44 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.38 3ite s LYS 390 Cb -0.13 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3ite s LYS 390 CO 0.13 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 3ite n GLY 391 N -2.41 3.82 3.76 -3.33 0.00 -1.26 -5.02 105.19 100.75 3ite n GLY 391 Ca 0.11 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 3.78 0.13 1.61 0.08 -1.26 -0.47 117.98 121.85 3ite s PHE 392 Ca 0.00 1.49 -0.25 0.00 0.12 0.00 0.00 56.93 58.28 3ite s PHE 392 Cb 0.00 -2.78 0.07 0.00 -0.57 0.00 0.00 43.02 39.74 3ite s PHE 392 CO 0.00 0.35 1.02 0.00 -0.10 0.00 0.00 175.22 176.49 3ite s ASP 394 N -3.01 5.62 -0.12 0.00 1.01 -1.26 -4.47 116.67 114.44 3ite s ASP 394 Ca 0.14 0.09 -0.00 0.00 0.71 0.00 0.00 52.55 53.48 3ite s ASP 394 Cb -0.01 -1.95 0.02 0.00 1.01 0.00 0.00 42.92 42.00 3ite s ASP 394 CO 0.02 0.18 -0.09 -0.63 0.21 0.00 0.00 175.17 174.86 3ite s ILE 395 N 0.31 1.15 -1.53 0.77 1.01 -0.57 -4.68 121.20 117.65 3ite s ILE 395 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 3ite s ILE 395 Cb -0.12 -1.14 0.08 0.00 0.01 0.00 0.00 42.46 41.29 3ite s ILE 395 CO 0.00 0.39 0.70 0.59 0.00 0.00 0.00 174.94 176.62 3ite n ASN 396 N 4.88 -2.48 -1.93 3.58 3.02 -1.26 -1.63 115.26 119.45 3ite n ASN 396 Ca -0.14 -0.94 -0.21 0.00 -0.03 0.00 0.00 54.58 53.27 3ite n ASN 396 Cb 0.50 -3.24 -0.06 0.00 -0.61 0.00 0.00 39.78 36.38 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 -1.68 0.97 3.30 7.41 0.00 -1.26 -5.00 105.19 108.93 3ite n GLY 397 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.28 1.48 0.47 1.61 0.52 -0.64 -5.09 118.95 113.00 3ite s ARG 398 Ca 0.00 -1.08 -0.21 0.00 -0.52 0.00 0.00 55.73 53.92 3ite s ARG 398 Cb 0.00 -1.68 -0.08 0.00 0.52 0.00 0.00 34.95 33.70 3ite s ARG 398 CO 0.00 0.42 1.06 0.21 0.02 0.00 0.00 175.30 177.01 3ite s LYS 399 N -1.42 3.85 -0.15 3.54 2.20 -1.26 -1.52 119.74 124.99 3ite s LYS 399 Ca 0.09 1.45 -0.06 0.00 -0.36 0.00 0.00 55.97 57.10 3ite s LYS 399 Cb -0.09 -2.22 0.07 0.00 -1.51 0.00 0.00 37.83 34.07 3ite s LYS 399 CO 0.03 -0.41 0.32 -0.47 -0.36 0.00 0.00 175.35 174.46 3ite s TYR 401 N -1.85 -0.53 -0.26 4.03 5.04 0.31 -4.10 117.35 120.00 3ite s TYR 401 Ca 0.65 1.12 -0.25 0.00 -2.44 0.00 0.00 57.07 56.16 3ite s TYR 401 Cb -0.19 0.10 -0.00 0.00 0.35 0.00 0.00 41.96 42.21 3ite s TYR 401 CO 0.23 -0.37 0.84 1.03 -1.34 0.00 0.00 175.55 175.94 3ite s ARG 402 N 2.17 4.14 0.38 4.97 0.52 0.38 -0.62 118.95 130.89 3ite s ARG 402 Ca -0.02 0.89 0.20 0.00 -0.52 0.00 0.00 55.73 56.28 3ite s ARG 402 Cb -0.11 -3.66 0.25 0.00 0.52 0.00 0.00 34.95 31.95 3ite s ARG 402 CO -0.10 -0.56 1.55 1.79 0.02 0.00 0.00 175.30 178.00 3ite h THR 403 N 5.47 0.34 0.00 0.02 1.35 -1.63 -3.43 112.91 115.04 3ite h THR 403 Ca -0.23 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 3ite h THR 403 Cb 1.09 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 3ite h THR 403 CO 0.88 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 3ite n GLY 404 N 1.12 0.56 3.81 5.82 0.00 -1.26 -5.02 105.19 110.21 3ite n GLY 404 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 5.85 -0.17 1.61 1.01 -1.26 -0.10 116.67 121.33 3ite s ASP 405 Ca 0.00 0.22 -0.08 0.00 0.71 0.00 0.00 52.55 53.40 3ite s ASP 405 Cb 0.00 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.15 3ite s ASP 405 CO 0.00 0.30 0.12 -0.63 0.21 0.00 0.00 175.17 175.17 3ite s ILE 406 N -1.17 5.32 0.18 0.77 -1.09 0.05 -1.02 121.20 124.24 3ite s ILE 406 Ca 0.22 0.15 -0.05 0.00 -2.23 0.00 0.00 60.65 58.74 3ite s ILE 406 Cb -0.12 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3ite s ILE 406 CO 0.12 0.51 0.22 0.68 -1.23 0.00 0.00 174.94 175.24 3ite s VAL 407 N -0.16 0.04 0.00 2.92 -7.23 0.13 -0.52 120.40 115.58 3ite s VAL 407 Ca 0.10 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3ite s VAL 407 Cb -0.12 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.65 3ite s VAL 407 CO 0.00 -0.18 0.00 -2.11 -0.31 0.00 0.00 175.10 172.50 3ite n ARG 408 N -0.24 0.13 -4.52 4.82 1.85 -0.95 -0.91 116.66 116.85 3ite n ARG 408 Ca -0.03 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.58 3ite n ARG 408 Cb 0.64 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.95 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 1.00 2.87 0.34 2.89 -1.08 0.25 -1.02 116.67 121.91 3ite s ASP 410 Ca 0.00 -1.43 0.03 0.00 -0.52 0.00 0.00 52.55 50.63 3ite s ASP 410 Cb 0.00 -0.04 0.64 0.00 -1.46 0.00 0.00 42.92 42.06 3ite s ASP 410 CO 0.00 -0.63 1.97 0.00 0.52 0.00 0.00 175.17 177.03 3ite h ALA 411 N 1.95 1.59 -0.22 3.66 0.00 -2.00 -1.72 119.26 122.52 3ite h ALA 411 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ite h ALA 411 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ite h ALA 411 CO 0.71 0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.89 3ite n ASP 412 N -4.46 1.27 0.00 0.00 5.75 -1.26 -4.90 116.55 112.95 3ite n ASP 412 Ca 0.09 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 3ite n ASP 412 Cb 0.13 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 0.17 0.00 -4.79 -1.12 7.64 -0.65 -5.04 113.62 109.83 3ite n SER 413 Ca 0.09 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.67 3ite n SER 413 Cb 0.21 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.48 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 -3.01 4.87 -0.11 6.43 1.04 -1.26 -4.77 113.70 116.89 3ite s SER 414 Ca 0.00 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.07 3ite s SER 414 Cb 0.00 -2.43 -0.02 0.00 0.10 0.00 0.00 66.02 63.67 3ite s SER 414 CO 0.00 -1.77 -0.11 -0.63 0.98 0.00 0.00 173.24 171.71 3ite s ILE 415 N -3.01 3.26 -0.20 -1.02 1.01 -0.55 -0.59 121.20 120.11 3ite s ILE 415 Ca 0.60 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 3ite s ILE 415 Cb -0.15 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3ite s ILE 415 CO 0.55 0.55 0.07 -0.76 0.00 0.00 0.00 174.94 175.35 3ite s LEU 416 N -0.07 3.76 -0.17 2.97 1.43 -0.19 -0.34 118.68 126.07 3ite s LEU 416 Ca -0.01 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 3ite s LEU 416 Cb -0.14 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3ite s LEU 416 CO 0.03 0.13 0.94 0.12 0.23 0.00 0.00 176.35 177.81 3ite s PHE 417 N 0.61 3.42 -0.16 0.29 2.19 -0.02 -2.23 117.98 122.08 3ite s PHE 417 Ca 0.03 1.41 0.13 0.00 0.33 0.00 0.00 56.93 58.83 3ite s PHE 417 Cb -0.13 -3.14 -0.19 0.00 -1.31 0.00 0.00 43.02 38.25 3ite s PHE 417 CO 0.01 -0.31 0.03 1.28 1.83 0.00 0.00 175.22 178.06 3ite n LEU 418 N 5.50 0.33 0.00 6.12 4.77 0.32 -4.86 117.00 129.18 3ite n LEU 418 Ca 0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3ite n LEU 418 Cb 0.48 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3ite n LEU 418 CO 0.50 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3ite n GLY 419 N 2.07 -0.79 3.88 -0.72 0.00 -1.14 -4.89 105.19 103.60 3ite n GLY 419 Ca -0.27 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.00 3.76 0.35 1.61 1.81 -1.26 -0.77 118.95 122.46 3ite s ARG 420 Ca 0.00 0.18 -0.27 0.00 -1.72 0.00 0.00 55.73 53.91 3ite s ARG 420 Cb 0.00 -2.80 -0.09 0.00 -0.45 0.00 0.00 34.95 31.61 3ite s ARG 420 CO 0.00 0.42 1.25 0.21 -0.68 0.00 0.00 175.30 176.50 3ite s LYS 421 N -2.52 4.25 0.05 3.54 2.20 0.85 -4.72 119.74 123.39 3ite s LYS 421 Ca 0.42 2.06 0.06 0.00 -0.36 0.00 0.00 55.97 58.15 3ite s LYS 421 Cb -0.12 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 3ite s LYS 421 CO 0.21 -0.22 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.36 3ite s ASP 422 N -0.74 4.27 0.39 1.43 1.11 -1.26 -5.00 116.67 116.87 3ite s ASP 422 Ca 0.52 -0.32 -0.26 0.00 0.18 0.00 0.00 52.55 52.66 3ite s ASP 422 Cb -0.36 -0.84 -0.09 0.00 1.07 0.00 0.00 42.92 42.70 3ite s ASP 422 CO 0.47 0.24 1.25 -1.61 1.18 0.00 0.00 175.17 176.71 3ite s GLU 423 N -1.69 4.05 0.50 8.23 8.01 -1.26 -4.76 118.70 131.78 3ite s GLU 423 Ca 0.18 2.05 -0.19 0.00 0.01 0.00 0.00 54.97 57.02 3ite s GLU 423 Cb -0.11 -2.77 -0.14 0.00 -4.31 0.00 0.00 34.13 26.80 3ite s GLU 423 CO 0.09 -0.39 0.08 1.04 0.01 0.00 0.00 175.26 176.09 3ite n GLN 424 N 0.21 0.14 -3.54 1.61 6.02 -1.26 -4.85 117.38 115.71 3ite n GLN 424 Ca 0.03 0.05 -0.26 0.00 -0.01 0.00 0.00 57.00 56.81 3ite n GLN 424 Cb 0.44 -1.17 -0.15 0.00 1.02 0.00 0.00 30.24 30.38 3ite n GLN 424 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ite s VAL 425 N -1.86 -0.13 1.22 5.09 1.01 0.13 -4.89 120.40 120.97 3ite s VAL 425 Ca 0.60 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 3ite s VAL 425 Cb -0.52 -0.87 0.30 0.00 0.00 0.00 0.00 36.38 35.29 3ite s VAL 425 CO 0.63 -0.57 1.01 -0.54 0.00 0.00 0.00 175.10 175.63 3ite s LYS 426 N 2.15 -1.32 0.00 2.72 1.02 -1.26 -2.67 119.74 120.38 3ite s LYS 426 Ca 0.07 0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.63 3ite s LYS 426 Cb -0.16 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 3ite s LYS 426 CO -0.29 -3.92 0.00 1.04 -0.92 0.00 0.00 175.35 171.27 3ite n GLN 430 N -5.01 0.00 -4.20 1.68 1.13 -1.26 -4.75 117.38 104.97 3ite n GLN 430 Ca 0.05 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.76 3ite n GLN 430 Cb 0.56 -0.29 -0.08 0.00 0.11 0.00 0.00 30.24 30.53 3ite n GLN 430 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3ite s ARG 431 N -2.06 3.18 -0.02 -1.09 0.52 -1.26 -5.12 118.95 113.09 3ite s ARG 431 Ca 0.00 -0.31 0.07 0.00 -0.52 0.00 0.00 55.73 54.96 3ite s ARG 431 Cb 0.00 -2.94 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 3ite s ARG 431 CO 0.00 0.71 -0.23 -1.17 0.02 0.00 0.00 175.30 174.63 3ite s LEU 432 N -0.87 2.04 -0.54 2.53 2.96 -1.09 -4.93 118.68 118.78 3ite s LEU 432 Ca 0.13 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 3ite s LEU 432 Cb -0.12 -1.19 0.14 0.00 0.50 0.00 0.00 46.19 45.52 3ite s LEU 432 CO 0.03 0.27 0.44 -1.61 -1.32 0.00 0.00 176.35 174.16 3ite s GLU 433 N -0.48 2.74 0.25 1.98 0.41 -1.26 -0.69 118.70 121.65 3ite s GLU 433 Ca 0.07 -1.88 -0.04 0.00 -0.41 0.00 0.00 54.97 52.71 3ite s GLU 433 Cb -0.09 -4.06 0.46 0.00 -1.78 0.00 0.00 34.13 28.65 3ite s GLU 433 CO -0.00 -1.24 1.75 -0.07 -0.49 0.00 0.00 175.26 175.21 3ite h LEU 434 N 8.39 0.39 -1.55 1.80 3.38 -1.88 -0.33 115.31 125.50 3ite h LEU 434 Ca -0.18 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ite h LEU 434 Cb 1.07 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3ite h LEU 434 CO 0.88 0.17 -0.02 1.23 0.09 0.00 0.00 178.44 180.80 3ite h GLY 435 N 0.53 0.28 0.98 0.83 0.00 -1.89 -1.58 103.07 102.21 3ite h GLY 435 Ca 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 3ite h GLY 435 CO -0.37 0.14 0.22 -2.09 0.00 0.00 0.00 176.54 174.44 3ite h GLU 436 N 0.26 0.77 0.17 4.80 4.81 -1.49 -0.77 114.58 123.13 3ite h GLU 436 Ca 0.06 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3ite h GLU 436 Cb 0.21 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3ite h GLU 436 CO 0.01 0.67 -0.09 0.28 -0.73 0.00 0.00 179.01 179.15 3ite h VAL 437 N 0.70 0.82 -0.96 0.32 2.07 -1.13 -2.59 116.25 115.49 3ite h VAL 437 Ca 0.18 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.89 3ite h VAL 437 Cb 0.18 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 3ite h VAL 437 CO -0.02 0.00 0.55 0.28 0.02 0.00 0.00 177.57 178.40 3ite h SER 438 N -0.23 0.67 0.64 0.57 0.02 -1.32 -1.66 113.55 112.24 3ite h SER 438 Ca -0.02 0.11 -0.21 0.00 -0.84 0.00 0.00 61.79 60.82 3ite h SER 438 Cb 0.18 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3ite h SER 438 CO 0.03 0.21 -0.96 -0.08 -1.14 0.00 0.00 176.83 174.89 3ite h GLU 439 N 0.67 0.19 -0.48 3.45 4.57 -0.91 -0.41 114.58 121.65 3ite h GLU 439 Ca 0.56 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.41 3ite h GLU 439 Cb 0.90 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 3ite h GLU 439 CO -0.41 1.01 -0.04 0.28 -1.18 0.00 0.00 179.01 178.67 3ite h VAL 440 N 0.09 1.27 -0.56 0.32 2.07 -1.20 0.44 116.25 118.68 3ite h VAL 440 Ca -0.06 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 3ite h VAL 440 Cb 1.63 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3ite h VAL 440 CO 0.15 0.40 0.14 0.40 0.02 0.00 0.00 177.57 178.67 3ite h ILE 441 N 0.74 1.25 -0.56 4.57 2.04 -1.14 -0.15 117.51 124.26 3ite h ILE 441 Ca 0.13 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3ite h ILE 441 Cb 0.57 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3ite h ILE 441 CO 0.03 0.32 0.34 -0.09 0.00 0.00 0.00 178.15 178.76 3ite h ARG 442 N 0.80 0.76 -0.48 2.37 2.43 -0.96 -2.52 114.38 116.77 3ite h ARG 442 Ca 0.18 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3ite h ARG 442 Cb 0.34 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3ite h ARG 442 CO 0.00 0.55 0.19 1.03 -1.51 0.00 0.00 179.97 180.23 3ite h SER 443 N 0.76 0.66 0.76 -3.80 0.87 -0.55 -3.13 113.55 109.13 3ite h SER 443 Ca 0.20 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 3ite h SER 443 Cb -0.02 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3ite h SER 443 CO -0.04 0.65 -0.43 -0.07 -0.53 0.00 0.00 176.83 176.41 3ite h LEU 444 N 0.64 0.00 -9.55 2.23 3.38 -0.87 -3.44 115.31 107.68 3ite h LEU 444 Ca 0.16 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.60 3ite h LEU 444 Cb 0.19 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ite h LEU 444 CO -0.01 0.43 0.69 -0.55 0.09 0.00 0.00 178.44 179.08 3ite s SER 445 N -6.56 6.88 0.43 -0.43 0.15 -0.96 -4.90 113.70 108.31 3ite s SER 445 Ca -0.00 2.28 0.15 0.00 0.70 0.00 0.00 55.95 59.08 3ite s SER 445 Cb 0.12 -2.59 0.95 0.00 -1.71 0.00 0.00 66.02 62.78 3ite s SER 445 CO 0.71 -0.60 1.94 -0.65 1.20 0.00 0.00 173.24 175.83 3ite h PRO 446 N 6.62 0.00 -6.03 5.44 0.11 -1.89 -3.43 132.00 132.82 3ite h PRO 446 Ca -0.42 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.08 3ite h PRO 446 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3ite h PRO 446 CO 0.84 0.24 -0.32 0.95 -0.21 0.00 0.00 178.00 179.50 3ite s THR 447 N -4.43 5.20 0.11 -1.15 -4.23 -1.26 -5.05 115.64 104.83 3ite s THR 447 Ca -0.03 0.25 -0.31 0.00 -1.18 0.00 0.00 61.69 60.41 3ite s THR 447 Cb 0.15 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 3ite s THR 447 CO 0.70 0.28 1.77 -1.81 -0.54 0.00 0.00 174.62 175.02 3ite s ASP 448 N -1.86 6.47 0.03 3.99 1.11 -1.26 -4.99 116.67 120.17 3ite s ASP 448 Ca 0.32 2.68 -0.03 0.00 0.18 0.00 0.00 52.55 55.71 3ite s ASP 448 Cb -0.13 -2.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.27 3ite s ASP 448 CO 0.18 -0.97 0.02 0.27 1.18 0.00 0.00 175.17 175.86 3ite s ILE 449 N 2.62 0.14 -0.16 0.77 -4.36 -1.26 -2.24 121.20 116.70 3ite s ILE 449 Ca 0.78 -1.12 -0.07 0.00 -0.26 0.00 0.00 60.65 59.98 3ite s ILE 449 Cb -0.44 -0.71 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 3ite s ILE 449 CO 0.35 -0.62 0.07 -1.81 0.24 0.00 0.00 174.94 173.17 3ite s ASP 450 N -1.94 5.70 0.04 4.36 1.01 0.14 -4.69 116.67 121.29 3ite s ASP 450 Ca -0.08 0.15 0.09 0.00 0.71 0.00 0.00 52.55 53.42 3ite s ASP 450 Cb -0.04 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 3ite s ASP 450 CO -0.04 0.23 -0.26 -0.69 0.21 0.00 0.00 175.17 174.63 3ite s VAL 451 N 0.01 2.06 -0.02 -1.27 1.01 -1.26 -0.75 120.40 120.18 3ite s VAL 451 Ca 0.06 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.72 3ite s VAL 451 Cb -0.12 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3ite s VAL 451 CO 0.01 0.36 -0.05 -0.69 0.00 0.00 0.00 175.10 174.73 3ite s VAL 452 N -0.78 0.46 -0.10 2.92 1.01 -0.22 -4.93 120.40 118.76 3ite s VAL 452 Ca 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3ite s VAL 452 Cb -0.10 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3ite s VAL 452 CO 0.02 0.17 -0.15 -0.89 0.00 0.00 0.00 175.10 174.25 3ite s THR 453 N 0.40 1.43 0.15 3.92 2.01 -1.26 -0.03 115.64 122.26 3ite s THR 453 Ca -0.05 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.40 3ite s THR 453 Cb -0.08 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 3ite s THR 453 CO -0.00 0.43 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.46 3ite s LEU 454 N 0.94 2.48 -0.42 4.42 1.43 -0.57 -4.83 118.68 122.13 3ite s LEU 454 Ca -0.08 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 3ite s LEU 454 Cb -0.15 -0.52 0.05 0.00 0.03 0.00 0.00 46.19 45.61 3ite s LEU 454 CO -0.01 -0.21 0.28 -0.22 0.23 0.00 0.00 176.35 176.43 3ite s LEU 455 N -2.86 5.13 -0.00 1.79 2.96 -1.26 -1.70 118.68 122.74 3ite s LEU 455 Ca 0.14 -1.23 0.04 0.00 -0.22 0.00 0.00 54.13 52.86 3ite s LEU 455 Cb -0.02 -2.07 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 3ite s LEU 455 CO 0.03 -0.51 0.12 0.18 -1.32 0.00 0.00 176.35 174.86 3ite n LEU 456 N 5.04 0.06 -1.39 -0.68 4.77 -1.26 -5.00 117.00 118.54 3ite n LEU 456 Ca -0.11 -0.14 0.04 0.00 -0.03 0.00 0.00 56.01 55.76 3ite n LEU 456 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3ite n LEU 456 CO 0.40 0.01 -0.47 0.49 -1.33 0.00 0.00 177.39 176.50 3ite n PHE 465 N -1.50 -3.79 -3.82 -1.77 3.72 -1.26 -5.16 117.46 103.89 3ite n PHE 465 Ca -0.00 2.06 -0.36 0.00 -0.05 0.00 0.00 57.45 59.10 3ite n PHE 465 Cb 0.10 -3.28 -0.12 0.00 -0.94 0.00 0.00 39.48 35.24 3ite n PHE 465 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3ite s LEU 466 N -5.59 4.79 0.03 4.37 2.96 -1.26 -4.95 118.68 119.02 3ite s LEU 466 Ca 0.00 -1.75 0.08 0.00 -0.22 0.00 0.00 54.13 52.24 3ite s LEU 466 Cb 0.00 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3ite s LEU 466 CO 0.00 -0.44 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.65 3ite s VAL 467 N 1.19 2.27 -0.11 1.68 1.01 -0.69 0.25 120.40 126.00 3ite s VAL 467 Ca 0.04 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.76 3ite s VAL 467 Cb -0.22 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3ite s VAL 467 CO -0.03 0.42 -0.14 -0.44 0.00 0.00 0.00 175.10 174.91 3ite s SER 468 N -1.11 3.94 -0.14 3.32 0.01 -0.83 -1.52 113.70 117.38 3ite s SER 468 Ca 0.12 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 3ite s SER 468 Cb -0.10 -1.44 -0.02 0.00 0.21 0.00 0.00 66.02 64.66 3ite s SER 468 CO 0.02 0.20 -0.07 -0.36 0.41 0.00 0.00 173.24 173.43 3ite s PHE 469 N 0.14 2.94 -0.11 2.43 0.08 0.96 -0.12 117.98 124.30 3ite s PHE 469 Ca -0.07 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.62 3ite s PHE 469 Cb -0.15 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3ite s PHE 469 CO 0.05 -0.05 -0.16 0.08 -0.10 0.00 0.00 175.22 175.03 3ite s VAL 470 N 0.22 1.58 0.12 -0.44 1.01 0.49 -1.06 120.40 122.33 3ite s VAL 470 Ca -0.05 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.31 3ite s VAL 470 Cb -0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3ite s VAL 470 CO 0.04 0.46 -0.19 0.00 0.00 0.00 0.00 175.10 175.40 3ite s ALA 471 N 0.91 1.82 0.19 5.51 0.00 0.07 -1.20 121.76 129.07 3ite s ALA 471 Ca -0.08 -1.32 -0.32 0.00 0.00 0.00 0.00 51.96 50.24 3ite s ALA 471 Cb -0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 23.12 22.65 3ite s ALA 471 CO -0.01 0.29 1.67 0.45 0.00 0.00 0.00 175.76 178.16 3ite s SER 472 N -2.21 6.45 -0.01 0.00 0.15 -1.26 0.27 113.70 117.10 3ite s SER 472 Ca 0.09 2.78 -0.34 0.00 0.70 0.00 0.00 55.95 59.18 3ite s SER 472 Cb -0.08 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.50 3ite s SER 472 CO 0.05 -0.92 1.76 -1.20 1.20 0.00 0.00 173.24 174.13 3ite n SER 473 N 4.00 3.24 0.00 5.45 7.64 -0.95 -1.03 113.62 131.97 3ite n SER 473 Ca 0.15 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3ite n SER 473 Cb 0.36 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 3ite n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ite n GLY 474 N 4.02 0.55 3.60 0.23 0.00 -1.26 -4.98 105.19 107.35 3ite n GLY 474 Ca 0.21 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3ite n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ite n ALA 475 N 0.67 1.63 -1.43 4.61 0.00 -0.19 -4.84 120.51 120.96 3ite n ALA 475 Ca 0.00 -0.11 -0.56 0.00 0.00 0.00 0.00 53.44 52.77 3ite n ALA 475 Cb 0.00 -2.82 -0.08 0.00 0.00 0.00 0.00 19.45 16.56 3ite n ALA 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ite n ALA 476 N 10.43 -2.85 -0.83 0.00 0.00 -1.26 -4.75 120.51 121.25 3ite n ALA 476 Ca 0.29 0.53 -0.08 0.00 0.00 0.00 0.00 53.44 54.17 3ite n ALA 476 Cb 0.41 -1.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 3ite n ALA 476 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ite n VAL 477 N 1.94 2.64 -3.36 0.00 0.31 -1.26 -4.80 118.33 113.80 3ite n VAL 477 Ca 0.21 -1.16 -0.41 0.00 -0.01 0.00 0.00 64.34 62.97 3ite n VAL 477 Cb 0.04 -1.83 -0.09 0.00 -0.91 0.00 0.00 33.84 31.05 3ite n VAL 477 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3ite s ARG 478 N 0.71 3.65 0.00 5.55 0.52 -1.26 -5.04 118.95 123.07 3ite s ARG 478 Ca 0.45 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 3ite s ARG 478 Cb 0.21 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.90 3ite s ARG 478 CO 0.00 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.22 3ite n GLY 479 N 4.88 0.45 3.88 -3.53 0.00 -1.26 -4.99 105.19 104.62 3ite n GLY 479 Ca -0.08 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 3ite n GLY 479 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ite s GLU 480 N -0.12 3.59 -0.54 1.61 -1.05 -1.26 -5.06 118.70 115.86 3ite s GLU 480 Ca 0.00 0.54 -0.04 0.00 -0.15 0.00 0.00 54.97 55.31 3ite s GLU 480 Cb 0.00 -2.20 0.14 0.00 -0.44 0.00 0.00 34.13 31.63 3ite s GLU 480 CO 0.00 -0.42 0.37 -1.17 0.95 0.00 0.00 175.26 174.99 3ite s LEU 481 N -4.97 5.38 0.00 1.83 2.96 -1.26 -4.87 118.68 117.75 3ite s LEU 481 Ca 0.52 -2.45 0.00 0.00 -0.22 0.00 0.00 54.13 51.98 3ite s LEU 481 Cb -0.11 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.70 3ite s LEU 481 CO 0.50 -0.48 0.00 -1.14 -1.32 0.00 0.00 176.35 173.91 3ite n ARG 482 N 4.06 3.29 0.00 1.98 0.63 -1.26 -4.90 116.66 120.46 3ite n ARG 482 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3ite n ARG 482 Cb 0.40 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.31 3ite n ARG 482 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3ite n ASN 487 N -0.36 0.00 -3.67 6.15 2.85 -1.26 -4.50 115.26 114.47 3ite n ASN 487 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 3ite n ASN 487 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 3ite n ASN 487 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3ite n TYR 488 N 0.00 2.69 -0.55 1.20 4.01 -1.26 -4.76 117.16 118.48 3ite n TYR 488 Ca 0.00 -2.59 -0.11 0.00 -0.16 0.00 0.00 57.90 55.04 3ite n TYR 488 Cb 0.00 -1.28 0.03 0.00 -0.31 0.00 0.00 39.34 37.78 3ite n TYR 488 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3ite n LYS 489 N 0.34 1.53 -0.08 -0.72 4.76 -1.26 -2.97 118.16 119.77 3ite n LYS 489 Ca 0.46 -1.08 -0.14 0.00 -2.87 0.00 0.00 58.31 54.67 3ite n LYS 489 Cb 0.27 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 31.97 3ite n LYS 489 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3ite n GLU 490 N 0.52 0.35 -0.46 1.97 0.00 -1.26 -4.25 120.64 117.52 3ite n GLU 490 Ca 0.21 0.12 0.40 0.00 0.00 0.00 0.00 57.16 57.90 3ite n GLU 490 Cb 0.63 -1.15 0.75 0.00 0.00 0.00 0.00 31.44 31.67 3ite n GLU 490 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.13 176.29 3ite h ILE 491 N -0.35 0.26 0.35 6.31 -0.00 -1.92 1.18 117.51 123.35 3ite h ILE 491 Ca -0.37 -0.01 -0.01 0.00 -0.00 0.00 0.00 64.86 64.46 3ite h ILE 491 Cb 1.41 0.22 -0.01 0.00 -0.00 0.00 0.00 36.82 38.44 3ite h ILE 491 CO -0.17 0.01 -0.33 -1.13 -0.00 0.00 0.00 178.15 176.53 3ite h ASN 492 N 0.04 -0.90 -0.73 2.16 -0.73 -1.74 -2.64 115.58 111.03 3ite h ASN 492 Ca 0.71 0.07 0.07 0.00 1.87 0.00 0.00 56.30 59.01 3ite h ASN 492 Cb 2.72 0.29 -0.09 0.00 0.27 0.00 0.00 38.32 41.52 3ite h ASN 492 CO -0.07 -0.45 -0.43 0.59 -0.37 0.00 0.00 177.43 176.71 3ite n ASN 493 N -4.40 -0.77 -0.28 1.15 3.02 0.40 0.41 115.26 114.78 3ite n ASN 493 Ca -0.08 1.40 0.03 0.00 -0.03 0.00 0.00 54.58 55.89 3ite n ASN 493 Cb 0.31 -0.22 0.10 0.00 -0.61 0.00 0.00 39.78 39.36 3ite n ASN 493 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ite h SER 494 N 0.00 -0.76 0.27 6.41 0.02 -1.14 0.13 113.55 118.49 3ite h SER 494 Ca 0.12 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3ite h SER 494 Cb 0.30 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3ite h SER 494 CO -0.69 -0.27 -0.56 0.18 -1.14 0.00 0.00 176.83 174.35 3ite n LEU 495 N -5.53 0.90 0.10 5.07 4.77 -0.61 -1.47 117.00 120.23 3ite n LEU 495 Ca 0.12 -0.26 -0.23 0.00 -0.03 0.00 0.00 56.01 55.61 3ite n LEU 495 Cb 0.41 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 3ite n LEU 495 CO -0.04 0.20 -0.10 0.03 -1.33 0.00 0.00 177.39 176.16 3ite h ARG 496 N 0.52 0.56 0.07 3.23 2.47 0.15 -3.06 114.38 118.32 3ite h ARG 496 Ca 0.00 -0.82 -0.00 0.00 -1.26 0.00 0.00 59.98 57.90 3ite h ARG 496 Cb 0.53 0.28 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 3ite h ARG 496 CO 0.00 1.38 -0.04 1.96 0.56 0.00 0.00 179.97 183.83 3ite h GLN 497 N 0.14 -0.10 -1.40 0.04 4.20 -0.85 -2.27 115.11 114.88 3ite h GLN 497 Ca -0.20 0.01 0.41 0.00 0.06 0.00 0.00 58.65 58.92 3ite h GLN 497 Cb 1.94 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.69 3ite h GLN 497 CO 0.24 -0.06 1.13 0.00 -0.67 0.00 0.00 178.83 179.46 3ite h ALA 498 N -1.42 3.30 0.16 3.87 0.00 -1.46 -0.43 119.26 123.28 3ite h ALA 498 Ca -0.01 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 3ite h ALA 498 Cb 0.08 0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ite h ALA 498 CO 0.02 -1.85 -1.44 0.00 0.00 0.00 0.00 179.25 175.98 3ite h GLU 500 N -0.14 0.00 -0.04 0.00 5.08 -0.45 -2.81 114.58 116.22 3ite h GLU 500 Ca -0.29 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.86 3ite h GLU 500 Cb 1.89 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.16 3ite h GLU 500 CO 0.13 0.04 -0.80 1.96 -1.00 0.00 0.00 179.01 179.34 3ite h GLN 501 N 0.00 0.62 -1.04 2.33 4.20 -1.70 -3.27 115.11 116.25 3ite h GLN 501 Ca -0.00 -0.61 -0.54 0.00 0.06 0.00 0.00 58.65 57.56 3ite h GLN 501 Cb 0.09 0.16 -0.28 0.00 0.30 0.00 0.00 27.48 27.76 3ite h GLN 501 CO 0.00 1.22 0.69 0.25 -0.67 0.00 0.00 178.83 180.32 3ite n THR 502 N -4.02 3.23 -3.64 -0.54 -2.24 -1.07 -4.95 114.28 101.05 3ite n THR 502 Ca -0.10 -2.18 -0.14 0.00 -2.27 0.00 0.00 64.05 59.36 3ite n THR 502 Cb 0.76 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 68.11 3ite n THR 502 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ite s LEU 503 N -3.23 -0.64 0.10 3.22 1.43 -1.18 -5.07 118.68 113.31 3ite s LEU 503 Ca 0.55 1.39 -0.32 0.00 -1.03 0.00 0.00 54.13 54.72 3ite s LEU 503 Cb 0.45 2.37 -0.12 0.00 0.03 0.00 0.00 46.19 48.92 3ite s LEU 503 CO 0.05 -0.24 1.78 -2.65 0.23 0.00 0.00 176.35 175.52 3ite n PRO 504 N 2.71 2.53 -0.11 1.29 -0.02 -1.26 -4.83 135.00 135.31 3ite n PRO 504 Ca -0.14 0.92 0.27 0.00 -2.02 0.00 0.00 63.50 62.53 3ite n PRO 504 Cb 0.55 -2.78 0.69 0.00 -0.02 0.00 0.00 33.50 31.95 3ite n PRO 504 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ite h ALA 505 N 7.96 2.64 0.00 3.55 0.00 -1.99 -3.32 119.26 128.10 3ite h ALA 505 Ca -0.46 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 3ite h ALA 505 Cb 1.24 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3ite h ALA 505 CO 0.93 -1.13 -0.30 2.48 0.00 0.00 0.00 179.25 181.23 3ite n TYR 506 N -3.82 0.00 -1.48 0.00 4.11 -1.26 -4.88 117.16 109.82 3ite n TYR 506 Ca 0.17 -1.35 0.00 0.00 -0.00 0.00 0.00 57.90 56.72 3ite n TYR 506 Cb 1.00 -1.44 0.00 0.00 -0.00 0.00 0.00 39.34 38.90 3ite n TYR 506 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 3ite n VAL 508 N 2.47 -1.93 -1.66 -3.48 0.31 -1.25 -4.98 118.33 107.80 3ite n VAL 508 Ca 0.37 0.89 -0.39 0.00 -0.01 0.00 0.00 64.34 65.21 3ite n VAL 508 Cb 0.82 -1.18 0.04 0.00 -0.91 0.00 0.00 33.84 32.61 3ite n VAL 508 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ite n PRO 509 N -0.08 1.26 0.42 5.55 -0.02 -1.26 -4.94 135.00 135.92 3ite n PRO 509 Ca 0.00 0.47 -0.19 0.00 -2.02 0.00 0.00 63.50 61.76 3ite n PRO 509 Cb 0.00 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.08 3ite n PRO 509 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ite h ASP 510 N 0.99 -1.02 -4.37 2.55 3.32 -0.60 -3.45 116.42 113.84 3ite h ASP 510 Ca -0.49 0.05 -0.44 0.00 0.02 0.00 0.00 57.03 56.17 3ite h ASP 510 Cb 1.34 0.28 -0.24 0.00 0.22 0.00 0.00 39.33 40.93 3ite h ASP 510 CO 0.54 -0.68 -0.79 -0.36 -1.72 0.00 0.00 179.24 176.23 3ite s PHE 511 N -6.00 1.26 -0.77 4.55 0.08 -1.26 -5.08 117.98 110.76 3ite s PHE 511 Ca -0.19 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.46 3ite s PHE 511 Cb 0.03 -0.73 0.19 0.00 -0.57 0.00 0.00 43.02 41.94 3ite s PHE 511 CO 0.61 0.05 0.62 0.42 -0.10 0.00 0.00 175.22 176.82 3ite s ILE 512 N -1.01 3.95 -0.24 0.64 1.01 -1.26 -1.96 121.20 122.33 3ite s ILE 512 Ca 0.01 -3.56 -0.25 0.00 0.00 0.00 0.00 60.65 56.84 3ite s ILE 512 Cb -0.09 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 3ite s ILE 512 CO 0.02 -1.00 0.86 -0.63 0.00 0.00 0.00 174.94 174.19 3ite s ILE 513 N -0.86 4.81 0.22 2.92 1.01 0.82 -4.32 121.20 125.80 3ite s ILE 513 Ca 0.23 1.63 -0.27 0.00 0.00 0.00 0.00 60.65 62.24 3ite s ILE 513 Cb -0.12 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 3ite s ILE 513 CO -0.09 -0.09 0.85 -2.16 0.00 0.00 0.00 174.94 173.45 3ite s PRO 514 N 2.89 4.65 0.06 2.79 0.05 -1.26 -0.38 135.00 143.81 3ite s PRO 514 Ca 0.36 1.28 -0.02 0.00 0.05 0.00 0.00 61.00 62.68 3ite s PRO 514 Cb -0.15 -3.18 -0.04 0.00 0.05 0.00 0.00 34.50 31.18 3ite s PRO 514 CO 0.07 0.50 -0.01 0.96 0.05 0.00 0.00 177.00 178.58 3ite s ILE 515 N -1.25 0.20 0.39 0.56 -4.36 -0.34 -4.87 121.20 111.53 3ite s ILE 515 Ca 0.40 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 59.07 3ite s ILE 515 Cb -0.23 -1.56 0.27 0.00 1.25 0.00 0.00 42.46 42.19 3ite s ILE 515 CO 0.28 -0.93 2.04 0.77 0.24 0.00 0.00 174.94 177.34 3ite h SER 516 N 3.10 0.56 -5.17 4.36 4.64 -1.88 -3.41 113.55 115.74 3ite h SER 516 Ca -0.34 -0.01 0.17 0.00 -0.47 0.00 0.00 61.79 61.14 3ite h SER 516 Cb 1.15 -0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 63.00 3ite h SER 516 CO 0.65 0.40 0.51 0.72 -0.87 0.00 0.00 176.83 178.23 3ite s PHE 517 N -5.57 -0.18 -0.40 4.77 -0.71 -1.26 -4.79 117.98 109.84 3ite s PHE 517 Ca -0.09 -0.07 -0.23 0.00 -1.04 0.00 0.00 56.93 55.50 3ite s PHE 517 Cb 0.18 0.61 0.02 0.00 -1.21 0.00 0.00 43.02 42.61 3ite s PHE 517 CO 0.74 -0.72 0.77 0.42 -1.34 0.00 0.00 175.22 175.09 3ite s ILE 518 N -3.19 4.71 0.50 -4.49 -1.09 -1.26 -4.95 121.20 111.44 3ite s ILE 518 Ca 0.10 0.66 -0.23 0.00 -2.23 0.00 0.00 60.65 58.96 3ite s ILE 518 Cb -0.01 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.57 3ite s ILE 518 CO -0.01 -0.54 1.27 -2.16 -1.23 0.00 0.00 174.94 172.27 3ite s PRO 519 N 3.14 3.47 0.22 2.79 0.04 -1.26 -4.92 135.00 138.48 3ite s PRO 519 Ca 0.30 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.46 3ite s PRO 519 Cb -0.13 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 3ite s PRO 519 CO 0.19 -0.86 -0.08 -0.51 0.04 0.00 0.00 177.00 175.78 3ite s LEU 520 N -3.24 2.99 0.70 -3.56 1.43 -1.26 -0.33 118.68 115.41 3ite s LEU 520 Ca 0.67 -0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 3ite s LEU 520 Cb -0.35 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3ite s LEU 520 CO 0.42 0.06 1.09 -0.13 0.23 0.00 0.00 176.35 178.02 3ite s ARG 521 N -3.22 2.64 0.25 1.70 1.81 -0.93 -4.59 118.95 116.61 3ite s ARG 521 Ca 0.28 1.25 -0.02 0.00 -1.72 0.00 0.00 55.73 55.52 3ite s ARG 521 Cb -0.07 -1.94 0.30 0.00 -0.45 0.00 0.00 34.95 32.79 3ite s ARG 521 CO 0.17 -1.36 1.73 -0.44 -0.68 0.00 0.00 175.30 174.72 3ite h ASP 522 N -0.45 0.75 -0.36 0.23 3.32 -2.00 -3.28 116.42 114.62 3ite h ASP 522 Ca -0.45 -0.21 -0.26 0.00 0.02 0.00 0.00 57.03 56.14 3ite h ASP 522 Cb 1.24 -0.20 -0.19 0.00 0.22 0.00 0.00 39.33 40.39 3ite h ASP 522 CO 0.53 0.86 -0.54 0.35 -1.72 0.00 0.00 179.24 178.72 3ite n THR 523 N -4.19 2.42 -3.66 0.35 -2.24 -1.26 -5.04 114.28 100.66 3ite n THR 523 Ca 0.02 -3.57 0.03 0.00 -2.27 0.00 0.00 64.05 58.26 3ite n THR 523 Cb 0.34 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 3ite n THR 523 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ite s SER 524 N -3.26 -0.02 -0.03 3.42 1.04 -1.24 -4.73 113.70 108.87 3ite s SER 524 Ca 0.45 -0.07 0.21 0.00 0.48 0.00 0.00 55.95 57.01 3ite s SER 524 Cb 0.39 0.08 0.66 0.00 0.10 0.00 0.00 66.02 67.25 3ite s SER 524 CO -0.02 -0.14 1.56 0.00 0.98 0.00 0.00 173.24 175.61 3ite n ALA 525 N -0.58 2.57 -1.73 5.32 0.00 -1.26 -3.99 120.51 120.84 3ite n ALA 525 Ca -0.07 -1.39 -0.35 0.00 0.00 0.00 0.00 53.44 51.63 3ite n ALA 525 Cb 0.62 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 19.18 3ite n ALA 525 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ite s LYS 526 N -1.25 3.04 0.44 0.00 1.02 -1.26 -4.66 119.74 117.07 3ite s LYS 526 Ca 0.49 1.74 -0.25 0.00 0.02 0.00 0.00 55.97 57.97 3ite s LYS 526 Cb 0.27 -1.95 -0.08 0.00 -0.52 0.00 0.00 37.83 35.55 3ite s LYS 526 CO 0.30 -1.13 1.33 0.99 -0.92 0.00 0.00 175.35 175.92 3ite s THR 527 N -1.69 2.45 -1.23 2.17 2.01 -1.26 -2.20 115.64 115.90 3ite s THR 527 Ca 0.75 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 63.01 3ite s THR 527 Cb -0.28 -3.22 0.16 0.00 0.01 0.00 0.00 72.50 69.17 3ite s THR 527 CO 0.32 0.04 1.51 -0.67 -0.69 0.00 0.00 174.62 175.14 3ite n ASP 528 N -0.15 5.18 -0.07 3.53 -0.08 0.55 -4.57 116.55 120.93 3ite n ASP 528 Ca 0.05 -2.99 -0.07 0.00 -1.51 0.00 0.00 54.79 50.28 3ite n ASP 528 Cb 0.44 -1.58 -0.01 0.00 2.34 0.00 0.00 41.12 42.31 3ite n ASP 528 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ite h ALA 529 N 7.02 -0.01 -0.79 -1.67 0.00 -1.92 -2.53 119.26 119.36 3ite h ALA 529 Ca 0.34 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.42 3ite h ALA 529 Cb 0.85 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 3ite h ALA 529 CO 1.31 -0.60 -0.47 0.87 0.00 0.00 0.00 179.25 180.35 3ite h LYS 530 N -0.17 -0.01 -0.96 0.00 1.57 -1.98 1.01 116.57 116.03 3ite h LYS 530 Ca 0.15 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.11 3ite h LYS 530 Cb 0.41 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.55 3ite h LYS 530 CO -0.39 -0.01 -0.30 0.00 -0.57 0.00 0.00 179.45 178.18 3ite n ALA 531 N -3.19 0.08 -0.12 3.86 0.00 -0.98 -0.83 120.51 119.32 3ite n ALA 531 Ca 0.01 1.02 -0.10 0.00 0.00 0.00 0.00 53.44 54.37 3ite n ALA 531 Cb 0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 3ite n ALA 531 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ite h LEU 532 N 0.00 0.62 -2.00 0.00 3.38 0.10 -2.53 115.31 114.88 3ite h LEU 532 Ca 0.41 -0.30 0.15 0.00 0.09 0.00 0.00 57.88 58.23 3ite h LEU 532 Cb 0.65 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ite h LEU 532 CO -0.98 0.77 0.37 -0.33 0.09 0.00 0.00 178.44 178.36 3ite h GLU 533 N 0.45 0.00 -4.79 1.13 5.08 0.22 -3.44 114.58 113.23 3ite h GLU 533 Ca 0.10 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.87 3ite h GLU 533 Cb 0.44 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.79 3ite h GLU 533 CO 0.02 0.00 1.73 1.58 -1.00 0.00 0.00 179.01 181.33 3ite n HIS 534 N -4.35 0.90 0.00 4.33 -0.00 -0.24 -5.07 115.22 110.79 3ite n HIS 534 Ca 0.09 -1.08 0.00 0.00 0.46 0.00 0.00 57.72 57.19 3ite n HIS 534 Cb 0.59 -1.26 0.00 0.00 -0.12 0.00 0.00 29.99 29.21 3ite n HIS 534 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99