#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrs s LEU 2 N 0.00 4.35 0.72 7.52 1.43 -1.26 -5.01 118.68 126.43 2yrs s LEU 2 Ca 0.00 2.35 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 2yrs s LEU 2 Cb 0.00 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.70 2yrs s LEU 2 CO 0.00 -0.92 1.07 -0.94 0.23 0.00 0.00 176.35 175.79 2yrs s SER 3 N 3.15 5.13 0.30 2.29 1.04 -1.26 -4.88 113.70 119.47 2yrs s SER 3 Ca 0.75 1.57 0.04 0.00 0.48 0.00 0.00 55.95 58.79 2yrs s SER 3 Cb -0.36 -2.41 0.65 0.00 0.10 0.00 0.00 66.02 64.00 2yrs s SER 3 CO 0.32 -1.60 1.82 -0.65 0.98 0.00 0.00 173.24 174.11 2yrs h PRO 4 N -0.82 0.86 -0.31 4.02 0.11 -1.99 -0.29 132.00 133.58 2yrs h PRO 4 Ca -0.44 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.66 2yrs h PRO 4 Cb 1.22 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 2yrs h PRO 4 CO 0.57 0.57 0.03 0.00 -0.21 0.00 0.00 178.00 178.95 2yrs h ALA 5 N 1.58 0.30 -0.44 -0.75 0.00 -1.98 0.04 119.26 118.00 2yrs h ALA 5 Ca 0.52 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.57 2yrs h ALA 5 Cb 0.66 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2yrs h ALA 5 CO -0.29 -0.38 0.10 -0.44 0.00 0.00 0.00 179.25 178.24 2yrs h ASP 6 N 0.12 0.04 -0.79 0.00 3.32 -1.65 0.23 116.42 117.69 2yrs h ASP 6 Ca 0.15 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 2yrs h ASP 6 Cb 0.18 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 2yrs h ASP 6 CO -0.23 0.05 0.33 0.11 -1.72 0.00 0.00 179.24 177.79 2yrs h LYS 7 N 0.24 1.17 -0.29 3.56 1.57 -0.70 0.11 116.57 122.24 2yrs h LYS 7 Ca 0.22 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2yrs h LYS 7 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2yrs h LYS 7 CO -0.27 0.94 -0.16 1.15 -0.57 0.00 0.00 179.45 180.54 2yrs h THR 8 N 1.14 1.30 -0.98 -0.16 2.02 -0.72 -1.77 112.91 113.74 2yrs h THR 8 Ca 0.27 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 66.20 2yrs h THR 8 Cb 0.20 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 2yrs h THR 8 CO -0.02 0.40 0.64 0.78 0.37 0.00 0.00 175.52 177.69 2yrs h ASN 9 N 0.37 1.10 -0.05 4.18 2.35 0.80 -0.52 115.58 123.81 2yrs h ASN 9 Ca 0.06 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2yrs h ASN 9 Cb 0.69 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.80 2yrs h ASN 9 CO 0.05 0.78 -0.34 0.58 -1.65 0.00 0.00 177.43 176.85 2yrs h VAL 10 N 1.29 1.44 -0.15 2.81 2.07 -0.74 -1.55 116.25 121.43 2yrs h VAL 10 Ca 0.37 -1.78 0.02 0.00 0.82 0.00 0.00 66.70 66.13 2yrs h VAL 10 Cb -0.09 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2yrs h VAL 10 CO -0.10 0.51 0.00 0.11 0.02 0.00 0.00 177.57 178.11 2yrs h LYS 11 N -0.19 0.05 -0.24 1.57 1.57 -1.25 0.57 116.57 118.64 2yrs h LYS 11 Ca -0.03 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2yrs h LYS 11 Cb 1.01 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.23 2yrs h LYS 11 CO 0.07 0.03 -0.33 0.00 -0.57 0.00 0.00 179.45 178.65 2yrs h ALA 12 N 1.12 -0.32 -0.73 3.86 0.00 -1.12 0.64 119.26 122.71 2yrs h ALA 12 Ca 0.07 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2yrs h ALA 12 Cb 0.08 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2yrs h ALA 12 CO -0.11 -0.78 0.19 0.00 0.00 0.00 0.00 179.25 178.55 2yrs h ALA 13 N 0.52 0.97 -0.23 0.00 0.00 -1.02 -2.11 119.26 117.39 2yrs h ALA 13 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2yrs h ALA 13 Cb 0.55 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2yrs h ALA 13 CO -0.43 0.67 -0.32 2.35 0.00 0.00 0.00 179.25 181.52 2yrs h TRP 14 N 1.10 0.75 -0.52 0.00 2.91 0.42 -0.19 115.95 120.42 2yrs h TRP 14 Ca 0.23 -0.25 0.09 0.00 1.13 0.00 0.00 58.89 60.09 2yrs h TRP 14 Cb 0.35 -0.15 -0.07 0.00 -0.51 0.00 0.00 29.16 28.78 2yrs h TRP 14 CO 0.03 0.98 0.09 0.78 -1.03 0.00 0.00 178.44 179.29 2yrs h GLY 15 N 0.31 0.63 0.90 2.65 0.00 -0.88 0.20 103.07 106.88 2yrs h GLY 15 Ca 0.02 -0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.41 2yrs h GLY 15 CO 0.07 -0.09 0.55 1.70 0.00 0.00 0.00 176.54 178.78 2yrs h LYS 16 N 0.22 0.91 -0.63 4.80 3.11 -1.17 0.07 116.57 123.89 2yrs h LYS 16 Ca 0.26 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 58.07 2yrs h LYS 16 Cb 0.37 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.36 2yrs h LYS 16 CO -0.35 0.60 0.41 0.28 -2.81 0.00 0.00 179.45 177.58 2yrs h VAL 17 N 0.93 1.10 0.00 2.00 2.07 0.12 -3.44 116.25 119.04 2yrs h VAL 17 Ca 0.37 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2yrs h VAL 17 Cb 0.23 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2yrs h VAL 17 CO -0.13 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2yrs n GLY 18 N -1.45 1.77 0.00 2.17 0.00 0.01 -1.43 105.19 106.25 2yrs n GLY 18 Ca 0.07 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2yrs n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrs n ALA 19 N 6.05 2.34 1.63 4.61 0.00 -1.26 -2.58 120.51 131.30 2yrs n ALA 19 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.47 2yrs n ALA 19 Cb 0.00 -1.45 0.76 0.00 0.00 0.00 0.00 19.45 18.76 2yrs n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2yrs n HIS 20 N -1.35 0.00 -0.23 0.00 -0.00 -0.52 -4.47 115.22 108.66 2yrs n HIS 20 Ca 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.87 2yrs n HIS 20 Cb 0.25 -0.13 0.15 0.00 -0.00 0.00 0.00 29.99 30.26 2yrs n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yrs h ALA 21 N 3.77 0.81 -0.55 -1.41 0.00 -1.56 0.11 119.26 120.43 2yrs h ALA 21 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2yrs h ALA 21 Cb 0.23 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2yrs h ALA 21 CO 0.00 -0.36 0.13 0.78 0.00 0.00 0.00 179.25 179.80 2yrs h GLY 22 N 0.21 0.95 0.82 0.00 0.00 -1.83 0.49 103.07 103.71 2yrs h GLY 22 Ca 0.38 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 47.13 2yrs h GLY 22 CO -0.52 0.56 0.12 -2.09 0.00 0.00 0.00 176.54 174.61 2yrs h GLU 23 N 0.78 0.25 -0.07 4.80 4.81 -1.41 -0.97 114.58 122.77 2yrs h GLU 23 Ca 0.17 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 2yrs h GLU 23 Cb 0.34 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2yrs h GLU 23 CO 0.00 0.17 -0.47 1.88 -0.73 0.00 0.00 179.01 179.86 2yrs h TYR 24 N 0.26 0.19 -0.16 0.92 -1.99 -0.79 -0.54 116.97 114.87 2yrs h TYR 24 Ca 0.12 -0.06 -0.14 0.00 2.00 0.00 0.00 58.73 60.65 2yrs h TYR 24 Cb 0.07 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 2yrs h TYR 24 CO -0.11 0.60 -0.49 0.78 -0.00 0.00 0.00 178.16 178.93 2yrs h GLY 25 N 1.34 0.47 1.65 3.88 0.00 -0.30 0.93 103.07 111.04 2yrs h GLY 25 Ca 0.01 -0.52 -0.26 0.00 0.00 0.00 0.00 47.33 46.56 2yrs h GLY 25 CO 0.07 0.46 -1.18 0.00 0.00 0.00 0.00 176.54 175.90 2yrs h ALA 26 N 1.13 0.16 -0.52 3.60 0.00 -0.84 -2.88 119.26 119.91 2yrs h ALA 26 Ca 0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 2yrs h ALA 26 Cb 0.99 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2yrs h ALA 26 CO 0.09 0.97 0.16 1.49 0.00 0.00 0.00 179.25 181.96 2yrs h GLU 27 N 0.09 0.80 -0.95 0.00 4.81 -0.83 -2.28 114.58 116.21 2yrs h GLU 27 Ca -0.12 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 2yrs h GLU 27 Cb 1.89 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 31.10 2yrs h GLU 27 CO 0.19 0.74 0.62 0.00 -0.73 0.00 0.00 179.01 179.83 2yrs h ALA 28 N 1.02 1.42 -0.41 2.92 0.00 -0.83 -0.41 119.26 122.97 2yrs h ALA 28 Ca 0.17 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2yrs h ALA 28 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2yrs h ALA 28 CO -0.01 0.47 -0.31 -0.07 0.00 0.00 0.00 179.25 179.33 2yrs h LEU 29 N 1.16 0.97 -0.64 0.00 3.38 -1.29 -0.41 115.31 118.47 2yrs h LEU 29 Ca 0.39 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2yrs h LEU 29 Cb 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2yrs h LEU 29 CO -0.13 1.19 -0.29 -0.08 0.09 0.00 0.00 178.44 179.22 2yrs h GLU 30 N 0.77 0.75 -0.53 1.13 4.81 -1.11 0.97 114.58 121.37 2yrs h GLU 30 Ca 0.08 -0.33 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 2yrs h GLU 30 Cb 0.89 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 2yrs h GLU 30 CO 0.08 0.94 0.03 0.00 -0.73 0.00 0.00 179.01 179.34 2yrs h ARG 31 N 0.64 0.92 0.27 1.92 3.08 -0.93 -1.61 114.38 118.66 2yrs h ARG 31 Ca 0.08 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2yrs h ARG 31 Cb 0.81 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2yrs h ARG 31 CO 0.07 0.92 -0.18 1.98 -1.07 0.00 0.00 179.97 181.68 2yrs h MET 32 N 0.80 -0.43 -0.68 0.04 4.05 -0.49 0.17 114.93 118.38 2yrs h MET 32 Ca 0.16 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 2yrs h MET 32 Cb 0.48 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 2yrs h MET 32 CO 0.02 -0.29 0.45 0.74 0.23 0.00 0.00 176.91 178.06 2yrs h PHE 33 N -0.45 0.76 0.07 1.39 0.04 0.11 0.95 116.94 119.81 2yrs h PHE 33 Ca -0.02 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2yrs h PHE 33 Cb 0.38 -0.25 0.02 0.00 2.20 0.00 0.00 35.95 38.30 2yrs h PHE 33 CO -0.11 0.43 -0.91 -0.07 -0.60 0.00 0.00 178.31 177.06 2yrs h LEU 34 N 0.78 0.67 0.00 1.54 3.38 -1.13 -3.17 115.31 117.38 2yrs h LEU 34 Ca 0.28 -0.82 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 2yrs h LEU 34 Cb 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2yrs h LEU 34 CO -0.08 1.42 -0.34 0.28 0.09 0.00 0.00 178.44 179.81 2yrs h SER 35 N 0.01 0.00 -2.07 -0.43 0.02 -0.41 -3.39 113.55 107.27 2yrs h SER 35 Ca -0.13 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.24 2yrs h SER 35 Cb 1.62 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.77 2yrs h SER 35 CO 0.17 0.10 -0.97 0.49 -1.14 0.00 0.00 176.83 175.48 2yrs n PHE 36 N -3.02 0.70 0.23 3.45 3.72 0.31 -4.97 117.46 117.88 2yrs n PHE 36 Ca 0.02 -3.72 0.17 0.00 -0.05 0.00 0.00 57.45 53.88 2yrs n PHE 36 Cb 0.58 -0.39 0.86 0.00 -0.94 0.00 0.00 39.48 39.59 2yrs n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2yrs h PRO 37 N 4.11 0.00 -0.81 -1.08 0.13 -1.73 0.17 132.00 132.79 2yrs h PRO 37 Ca 0.11 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.37 2yrs h PRO 37 Cb 0.82 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.89 2yrs h PRO 37 CO 0.56 0.00 0.53 1.15 -0.23 0.00 0.00 178.00 180.01 2yrs h THR 38 N 0.00 0.85 0.00 1.56 2.02 -1.92 0.26 112.91 115.69 2yrs h THR 38 Ca 0.07 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2yrs h THR 38 Cb 0.39 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2yrs h THR 38 CO -0.00 0.11 0.00 0.35 0.37 0.00 0.00 175.52 176.35 2yrs n THR 39 N -4.52 1.45 0.46 3.16 -2.24 0.59 -1.83 114.28 111.35 2yrs n THR 39 Ca 0.15 0.42 0.13 0.00 -2.27 0.00 0.00 64.05 62.48 2yrs n THR 39 Cb 0.45 -1.33 0.40 0.00 -2.10 0.00 0.00 70.33 67.75 2yrs n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2yrs h LYS 40 N 0.00 0.00 -0.07 -0.78 1.57 -0.64 -2.95 116.57 113.70 2yrs h LYS 40 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2yrs h LYS 40 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2yrs h LYS 40 CO 0.00 0.00 0.11 1.79 -0.57 0.00 0.00 179.45 180.78 2yrs h THR 41 N 0.00 0.36 0.00 -0.16 1.35 -1.51 0.82 112.91 113.77 2yrs h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2yrs h THR 41 Cb 0.70 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2yrs h THR 41 CO 0.00 0.00 -0.29 -1.22 -0.25 0.00 0.00 175.52 173.76 2yrs n TYR 42 N -3.60 0.01 -2.62 4.73 4.01 -1.12 -4.17 117.16 114.41 2yrs n TYR 42 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 2yrs n TYR 42 Cb 0.20 -0.36 -0.00 0.00 -0.31 0.00 0.00 39.34 38.87 2yrs n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2yrs n PHE 43 N -1.51 2.84 0.30 -0.72 3.01 0.28 -4.84 117.46 116.82 2yrs n PHE 43 Ca 0.06 -3.20 0.18 0.00 1.01 0.00 0.00 57.45 55.50 2yrs n PHE 43 Cb 0.34 -0.22 0.77 0.00 -0.01 0.00 0.00 39.48 40.36 2yrs n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2yrs h PRO 44 N 2.75 0.00 -0.46 -1.08 0.13 -1.72 -1.80 132.00 129.82 2yrs h PRO 44 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2yrs h PRO 44 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2yrs h PRO 44 CO 0.75 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.13 2yrs n HIS 45 N -2.95 0.61 -4.11 1.56 1.44 -1.26 -4.89 115.22 105.61 2yrs n HIS 45 Ca -0.00 -0.30 -0.26 0.00 -2.01 0.00 0.00 57.72 55.15 2yrs n HIS 45 Cb 0.24 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 2yrs n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2yrs s PHE 46 N -1.39 3.08 -0.23 -1.40 0.40 -0.68 -5.07 117.98 112.69 2yrs s PHE 46 Ca 0.32 -0.06 -0.15 0.00 -0.60 0.00 0.00 56.93 56.45 2yrs s PHE 46 Cb 0.17 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 2yrs s PHE 46 CO 0.22 0.52 0.35 0.34 0.70 0.00 0.00 175.22 177.36 2yrs s ASP 47 N -3.20 6.32 0.00 1.36 2.15 -1.26 -4.96 116.67 117.09 2yrs s ASP 47 Ca 0.31 0.37 0.24 0.00 0.43 0.00 0.00 52.55 53.89 2yrs s ASP 47 Cb -0.09 -2.21 0.14 0.00 -0.30 0.00 0.00 42.92 40.46 2yrs s ASP 47 CO 0.23 -0.10 1.20 0.18 -0.17 0.00 0.00 175.17 176.51 2yrs n LEU 48 N 4.77 2.49 -4.60 -1.34 4.77 -1.26 -4.51 117.00 117.31 2yrs n LEU 48 Ca -0.09 -0.86 -0.40 0.00 -0.03 0.00 0.00 56.01 54.63 2yrs n LEU 48 Cb 0.51 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 2yrs n LEU 48 CO 0.38 0.43 0.53 -1.54 -1.33 0.00 0.00 177.39 175.87 2yrs n SER 49 N 0.67 0.91 -4.67 -1.43 3.41 -1.26 -4.75 113.62 106.49 2yrs n SER 49 Ca 0.12 0.92 -0.48 0.00 -0.26 0.00 0.00 58.87 59.16 2yrs n SER 49 Cb 0.53 -1.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.07 2yrs n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2yrs n HIS 50 N -1.09 2.24 0.00 7.33 -0.00 -1.26 -1.36 115.22 121.07 2yrs n HIS 50 Ca 0.11 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.46 2yrs n HIS 50 Cb 0.43 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.72 2yrs n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2yrs n GLY 51 N 3.93 3.02 3.56 1.57 0.00 -1.26 -5.04 105.19 110.97 2yrs n GLY 51 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 2yrs n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrs n SER 52 N 0.00 0.91 -0.26 1.61 3.41 -0.47 -4.68 113.62 114.14 2yrs n SER 52 Ca 0.00 1.15 0.07 0.00 -0.26 0.00 0.00 58.87 59.83 2yrs n SER 52 Cb 0.00 -1.25 0.31 0.00 -0.26 0.00 0.00 64.21 63.02 2yrs n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yrs h ALA 53 N 1.79 1.66 -0.77 7.33 0.00 -1.91 -1.45 119.26 125.91 2yrs h ALA 53 Ca -0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2yrs h ALA 53 Cb 1.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2yrs h ALA 53 CO 0.59 0.18 0.32 0.37 0.00 0.00 0.00 179.25 180.72 2yrs h GLN 54 N 0.85 1.13 -0.21 0.00 4.15 -1.88 0.68 115.11 119.83 2yrs h GLN 54 Ca 0.38 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.50 2yrs h GLN 54 Cb 0.36 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 2yrs h GLN 54 CO -0.15 0.90 -0.32 0.28 -1.93 0.00 0.00 178.83 177.61 2yrs h VAL 55 N 1.11 1.33 -0.91 2.39 2.07 -1.53 0.10 116.25 120.81 2yrs h VAL 55 Ca 0.26 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 2yrs h VAL 55 Cb 0.18 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2yrs h VAL 55 CO -0.02 0.47 0.54 0.11 0.02 0.00 0.00 177.57 178.69 2yrs h LYS 56 N 0.27 1.24 0.18 1.57 1.57 -1.04 0.25 116.57 120.61 2yrs h LYS 56 Ca 0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2yrs h LYS 56 Cb 0.90 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2yrs h LYS 56 CO 0.07 0.88 -0.09 0.78 -0.57 0.00 0.00 179.45 180.52 2yrs h GLY 57 N 1.26 -0.26 0.97 3.86 0.00 0.62 -1.64 103.07 107.88 2yrs h GLY 57 Ca 0.33 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.78 2yrs h GLY 57 CO -0.06 -0.09 0.63 0.84 0.00 0.00 0.00 176.54 177.85 2yrs h HIS 58 N -0.41 1.17 -0.78 5.60 -0.00 -0.51 -1.90 115.15 118.32 2yrs h HIS 58 Ca -0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 2yrs h HIS 58 Cb 0.32 -0.39 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 2yrs h HIS 58 CO -0.02 0.69 0.34 0.78 -0.00 0.00 0.00 177.93 179.73 2yrs h GLY 59 N 1.22 1.24 0.89 5.26 0.00 -0.29 0.37 103.07 111.77 2yrs h GLY 59 Ca 0.37 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2yrs h GLY 59 CO -0.11 0.61 0.06 1.70 0.00 0.00 0.00 176.54 178.80 2yrs h LYS 60 N 1.12 0.50 0.07 4.80 3.64 -0.59 -0.06 116.57 126.05 2yrs h LYS 60 Ca 0.26 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2yrs h LYS 60 Cb 0.17 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2yrs h LYS 60 CO -0.03 0.59 -0.03 0.87 -2.27 0.00 0.00 179.45 178.58 2yrs h LYS 61 N 0.33 -0.09 -0.61 1.90 1.57 -0.50 0.11 116.57 119.28 2yrs h LYS 61 Ca 0.09 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 2yrs h LYS 61 Cb 0.33 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.54 2yrs h LYS 61 CO 0.00 0.06 -0.17 0.28 -0.57 0.00 0.00 179.45 179.05 2yrs h VAL 62 N -0.22 0.36 -0.45 0.50 2.07 -0.28 -2.45 116.25 115.78 2yrs h VAL 62 Ca -0.01 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 2yrs h VAL 62 Cb 0.19 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2yrs h VAL 62 CO 0.02 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.50 2yrs h ALA 63 N 1.55 0.63 -0.53 1.67 0.00 -0.51 -2.31 119.26 119.75 2yrs h ALA 63 Ca 0.29 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2yrs h ALA 63 Cb 0.46 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2yrs h ALA 63 CO -0.64 0.52 0.24 -0.44 0.00 0.00 0.00 179.25 178.93 2yrs h ASP 64 N 0.71 0.30 -0.99 0.00 3.32 -0.84 -0.92 116.42 118.00 2yrs h ASP 64 Ca 0.12 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.23 2yrs h ASP 64 Cb 0.65 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 2yrs h ASP 64 CO 0.04 0.20 0.65 0.00 -1.72 0.00 0.00 179.24 178.42 2yrs h ALA 65 N 1.32 1.27 -0.51 3.45 0.00 -1.18 0.36 119.26 123.98 2yrs h ALA 65 Ca 0.25 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2yrs h ALA 65 Cb 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2yrs h ALA 65 CO -0.21 0.62 -0.17 -0.07 0.00 0.00 0.00 179.25 179.42 2yrs h LEU 66 N 1.32 1.02 -0.15 0.00 4.07 -0.92 0.21 115.31 120.86 2yrs h LEU 66 Ca 0.37 -0.38 0.02 0.00 0.08 0.00 0.00 57.88 57.97 2yrs h LEU 66 Cb -0.12 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.32 2yrs h LEU 66 CO -0.09 1.17 0.03 0.74 -1.08 0.00 0.00 178.44 179.21 2yrs h THR 67 N 0.87 0.94 -0.68 0.22 2.02 -0.63 0.30 112.91 115.96 2yrs h THR 67 Ca 0.12 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.38 2yrs h THR 67 Cb 0.75 0.83 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 2yrs h THR 67 CO 0.06 0.02 0.28 -1.13 0.37 0.00 0.00 175.52 175.12 2yrs h ASN 68 N 0.10 0.30 -0.85 4.18 -1.24 0.01 -1.01 115.58 117.07 2yrs h ASN 68 Ca 0.07 0.08 0.08 0.00 0.71 0.00 0.00 56.30 57.24 2yrs h ASN 68 Cb 0.06 0.05 -0.07 0.00 0.73 0.00 0.00 38.32 39.09 2yrs h ASN 68 CO -0.09 0.16 0.51 0.00 -1.29 0.00 0.00 177.43 176.72 2yrs h ALA 69 N 1.46 1.19 -0.33 1.57 0.00 0.16 -1.60 119.26 121.71 2yrs h ALA 69 Ca 0.35 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2yrs h ALA 69 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2yrs h ALA 69 CO -0.33 0.19 -0.09 0.28 0.00 0.00 0.00 179.25 179.30 2yrs h VAL 70 N 0.88 1.28 0.00 0.00 2.07 0.74 -2.46 116.25 118.76 2yrs h VAL 70 Ca 0.39 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2yrs h VAL 70 Cb 0.28 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2yrs h VAL 70 CO -0.21 0.37 -0.17 0.00 0.02 0.00 0.00 177.57 177.58 2yrs h ALA 71 N 0.80 1.29 -0.82 1.67 0.00 -0.77 -2.93 119.26 118.50 2yrs h ALA 71 Ca 0.08 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 2yrs h ALA 71 Cb 0.59 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.95 2yrs h ALA 71 CO 0.03 0.22 -0.54 0.72 0.00 0.00 0.00 179.25 179.68 2yrs n HIS 72 N -3.71 2.85 0.23 0.00 8.25 -0.65 -4.81 115.22 117.39 2yrs n HIS 72 Ca -0.02 -2.38 0.07 0.00 -0.26 0.00 0.00 57.72 55.13 2yrs n HIS 72 Cb 0.29 -0.51 0.55 0.00 1.12 0.00 0.00 29.99 31.44 2yrs n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2yrs h VAL 73 N 2.01 1.01 -0.02 1.59 3.04 -1.26 0.23 116.25 122.87 2yrs h VAL 73 Ca 0.41 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2yrs h VAL 73 Cb 1.39 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 2yrs h VAL 73 CO 0.90 0.17 -0.12 0.47 -1.01 0.00 0.00 177.57 177.97 2yrs n ASP 74 N -4.18 1.67 -1.85 3.17 8.00 -1.26 -3.95 116.55 118.15 2yrs n ASP 74 Ca -0.02 -1.41 -0.02 0.00 0.71 0.00 0.00 54.79 54.04 2yrs n ASP 74 Cb 0.24 0.09 0.06 0.00 -0.02 0.00 0.00 41.12 41.49 2yrs n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2yrs n ASP 75 N 0.12 2.05 -0.20 -2.24 2.03 0.70 -4.96 116.55 114.05 2yrs n ASP 75 Ca 0.15 -2.69 -0.05 0.00 0.52 0.00 0.00 54.79 52.72 2yrs n ASP 75 Cb 0.41 -0.41 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2yrs n ASP 75 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2yrs h MET 76 N 1.73 0.68 -0.55 -0.67 4.05 -1.37 -1.60 114.93 117.19 2yrs h MET 76 Ca -0.05 -0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.42 2yrs h MET 76 Cb 1.47 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 32.08 2yrs h MET 76 CO 0.23 0.45 0.37 -1.35 0.23 0.00 0.00 176.91 176.84 2yrs h PRO 77 N 0.70 0.35 0.16 0.39 0.11 -1.93 0.80 132.00 132.58 2yrs h PRO 77 Ca 0.23 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 66.06 2yrs h PRO 77 Cb 0.00 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.05 2yrs h PRO 77 CO -0.09 0.23 -1.18 -0.91 -0.21 0.00 0.00 178.00 175.84 2yrs h ASN 78 N 0.37 0.52 -0.60 -2.05 4.21 -1.92 -3.11 115.58 113.00 2yrs h ASN 78 Ca 0.25 -0.92 0.08 0.00 1.21 0.00 0.00 56.30 56.92 2yrs h ASN 78 Cb 0.51 -0.17 -0.06 0.00 -1.12 0.00 0.00 38.32 37.48 2yrs h ASN 78 CO -0.06 1.55 0.27 0.00 -1.29 0.00 0.00 177.43 177.89 2yrs h ALA 79 N 0.06 0.78 -0.49 -0.83 0.00 -1.02 -2.59 119.26 115.16 2yrs h ALA 79 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2yrs h ALA 79 Cb 1.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2yrs h ALA 79 CO 0.15 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2yrs n LEU 80 N -4.92 5.02 -0.16 0.00 4.77 0.25 -4.66 117.00 117.30 2yrs n LEU 80 Ca 0.08 -2.55 -0.03 0.00 -0.03 0.00 0.00 56.01 53.48 2yrs n LEU 80 Cb 0.22 -0.66 0.06 0.00 -2.33 0.00 0.00 43.42 40.72 2yrs n LEU 80 CO 0.25 0.58 0.95 -1.28 -1.33 0.00 0.00 177.39 176.56 2yrs h SER 81 N 3.42 0.13 0.63 -1.43 0.87 -1.38 -0.47 113.55 115.32 2yrs h SER 81 Ca 0.00 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 2yrs h SER 81 Cb 1.75 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.76 2yrs h SER 81 CO 0.41 0.10 -0.46 0.00 -0.53 0.00 0.00 176.83 176.36 2yrs h ALA 82 N 1.34 1.09 0.06 6.23 0.00 -1.85 -2.07 119.26 124.06 2yrs h ALA 82 Ca 0.24 -0.42 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 2yrs h ALA 82 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2yrs h ALA 82 CO -0.26 0.57 -1.41 1.25 0.00 0.00 0.00 179.25 179.40 2yrs h LEU 83 N 0.00 0.20 -0.44 0.00 5.85 -1.70 0.17 115.31 119.39 2yrs h LEU 83 Ca -0.00 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 2yrs h LEU 83 Cb 0.90 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2yrs h LEU 83 CO 0.06 1.23 -0.77 0.77 -0.34 0.00 0.00 178.44 179.39 2yrs h SER 84 N 0.04 0.00 0.78 1.25 4.64 -0.94 -1.46 113.55 117.85 2yrs h SER 84 Ca -0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 2yrs h SER 84 Cb 1.94 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.04 2yrs h SER 84 CO 0.14 0.77 -0.37 -0.78 -0.87 0.00 0.00 176.83 175.71 2yrs h ASP 85 N 0.00 -0.88 -0.76 4.97 3.58 -1.36 0.29 116.42 122.26 2yrs h ASP 85 Ca -0.01 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.62 2yrs h ASP 85 Cb 1.37 0.23 -0.11 0.00 1.72 0.00 0.00 39.33 42.54 2yrs h ASP 85 CO 0.10 -0.56 0.20 0.25 -2.88 0.00 0.00 179.24 176.35 2yrs h LEU 86 N -1.17 0.05 -0.09 2.28 5.85 -0.64 -0.14 115.31 121.45 2yrs h LEU 86 Ca -0.11 0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2yrs h LEU 86 Cb 0.82 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2yrs h LEU 86 CO 0.18 -0.03 -0.35 0.45 -0.34 0.00 0.00 178.44 178.35 2yrs h HIS 87 N 0.29 0.53 -0.51 1.25 3.86 -1.29 -0.70 115.15 118.57 2yrs h HIS 87 Ca 0.43 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 2yrs h HIS 87 Cb 0.75 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 2yrs h HIS 87 CO -0.25 0.96 0.12 0.00 0.86 0.00 0.00 177.93 179.62 2yrs h ALA 88 N 0.46 1.25 0.00 2.45 0.00 -0.64 0.75 119.26 123.53 2yrs h ALA 88 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2yrs h ALA 88 Cb 0.98 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2yrs h ALA 88 CO 0.07 0.52 -1.20 0.72 0.00 0.00 0.00 179.25 179.36 2yrs n HIS 89 N -4.28 0.00 0.03 0.00 8.25 -0.09 -4.58 115.22 114.55 2yrs n HIS 89 Ca 0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2yrs n HIS 89 Cb 0.22 -0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 2yrs n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2yrs n LYS 90 N -1.69 0.01 -0.10 -0.41 0.00 -0.69 -4.83 118.16 110.45 2yrs n LYS 90 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 2yrs n LYS 90 Cb 0.25 -0.33 -0.04 0.00 0.00 0.00 0.00 35.03 34.91 2yrs n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2yrs h LEU 91 N -0.02 0.76 -2.43 3.14 3.38 -1.26 -3.47 115.31 115.41 2yrs h LEU 91 Ca 0.00 -0.46 -0.59 0.00 0.09 0.00 0.00 57.88 56.92 2yrs h LEU 91 Cb 0.02 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 40.42 2yrs h LEU 91 CO 0.00 1.06 -0.96 0.54 0.09 0.00 0.00 178.44 179.16 2yrs n ARG 92 N -4.27 -1.20 -2.07 1.13 3.00 0.26 -4.94 116.66 108.56 2yrs n ARG 92 Ca -0.03 0.15 -0.42 0.00 -0.01 0.00 0.00 57.85 57.53 2yrs n ARG 92 Cb 0.46 -3.55 -0.03 0.00 0.00 0.00 0.00 32.46 29.34 2yrs n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2yrs s VAL 93 N -4.14 3.36 0.24 1.55 1.01 -1.26 -4.96 120.40 116.21 2yrs s VAL 93 Ca 0.10 0.77 -0.31 0.00 0.00 0.00 0.00 61.98 62.55 2yrs s VAL 93 Cb -0.06 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.69 2yrs s VAL 93 CO 0.97 -0.00 1.29 -0.67 0.00 0.00 0.00 175.10 176.69 2yrs n ASP 94 N 5.54 2.27 -0.30 3.32 -0.08 -1.26 -4.84 116.55 121.19 2yrs n ASP 94 Ca 0.15 1.15 0.34 0.00 -1.51 0.00 0.00 54.79 54.92 2yrs n ASP 94 Cb 0.42 -1.37 0.75 0.00 2.34 0.00 0.00 41.12 43.26 2yrs n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2yrs h PRO 95 N 3.58 0.00 -0.08 -0.67 0.11 -1.98 -0.85 132.00 132.11 2yrs h PRO 95 Ca -0.44 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 2yrs h PRO 95 Cb 1.30 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2yrs h PRO 95 CO 0.71 0.00 0.09 0.28 -0.21 0.00 0.00 178.00 178.88 2yrs h VAL 96 N 0.00 0.48 0.00 3.15 2.07 -2.03 -2.97 116.25 116.95 2yrs h VAL 96 Ca 0.55 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.99 2yrs h VAL 96 Cb 2.19 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2yrs h VAL 96 CO -0.01 0.00 -0.38 0.78 0.02 0.00 0.00 177.57 177.98 2yrs h ASN 97 N 0.00 0.00 -0.68 0.57 4.21 -1.50 -3.11 115.58 115.06 2yrs h ASN 97 Ca 0.04 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.57 2yrs h ASN 97 Cb 0.23 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.39 2yrs h ASN 97 CO -0.00 0.38 0.45 -0.26 -1.29 0.00 0.00 177.43 176.72 2yrs h PHE 98 N 0.00 0.82 0.00 1.19 -1.00 -1.70 -1.09 116.94 115.16 2yrs h PHE 98 Ca -0.00 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2yrs h PHE 98 Cb 1.24 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.52 2yrs h PHE 98 CO 0.00 0.49 -0.05 1.57 -1.61 0.00 0.00 178.31 178.71 2yrs h LYS 99 N 0.86 0.00 0.22 1.51 2.10 -1.70 0.13 116.57 119.69 2yrs h LYS 99 Ca 0.27 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.60 2yrs h LYS 99 Cb 0.01 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.37 2yrs h LYS 99 CO -0.07 0.05 -1.36 -0.07 -2.00 0.00 0.00 179.45 176.00 2yrs h LEU 100 N 0.00 0.81 -0.29 7.07 3.38 -1.32 -2.19 115.31 122.76 2yrs h LEU 100 Ca -0.00 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 2yrs h LEU 100 Cb 1.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2yrs h LEU 100 CO 0.01 1.66 0.09 0.25 0.09 0.00 0.00 178.44 180.54 2yrs h LEU 101 N 0.09 0.42 -0.61 1.67 6.46 -1.19 -2.56 115.31 119.59 2yrs h LEU 101 Ca -0.23 -0.20 0.13 0.00 -0.12 0.00 0.00 57.88 57.45 2yrs h LEU 101 Cb 2.07 -0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 41.78 2yrs h LEU 101 CO 0.26 0.50 -0.04 0.28 -0.62 0.00 0.00 178.44 178.82 2yrs h SER 102 N 0.31 -0.35 -0.70 1.25 0.02 -1.00 -0.16 113.55 112.91 2yrs h SER 102 Ca 0.09 0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.29 2yrs h SER 102 Cb 0.23 0.30 -0.07 0.00 0.14 0.00 0.00 62.40 63.00 2yrs h SER 102 CO -0.00 -0.14 0.35 -0.74 -1.14 0.00 0.00 176.83 175.15 2yrs h HIS 103 N 0.08 0.62 -0.18 3.45 -0.00 -1.35 -1.34 115.15 116.44 2yrs h HIS 103 Ca 0.31 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.56 2yrs h HIS 103 Cb 0.50 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 2yrs h HIS 103 CO -0.40 0.23 -0.51 0.00 -0.00 0.00 0.00 177.93 177.25 2yrs h LEU 105 N 0.38 -0.16 -0.35 0.00 4.07 -0.93 -0.19 115.31 118.13 2yrs h LEU 105 Ca 0.01 0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.06 2yrs h LEU 105 Cb 1.03 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.76 2yrs h LEU 105 CO 0.09 -0.10 -0.02 0.25 -1.08 0.00 0.00 178.44 177.58 2yrs h LEU 106 N -0.14 -0.19 -0.09 1.67 5.85 -1.03 -0.01 115.31 121.37 2yrs h LEU 106 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2yrs h LEU 106 Cb 0.14 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2yrs h LEU 106 CO -0.02 -0.06 0.05 0.58 -0.34 0.00 0.00 178.44 178.66 2yrs h VAL 107 N 0.07 1.06 -0.40 1.05 2.07 -0.59 0.66 116.25 120.16 2yrs h VAL 107 Ca 0.17 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2yrs h VAL 107 Cb 0.24 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2yrs h VAL 107 CO -0.31 0.05 0.11 0.74 0.02 0.00 0.00 177.57 178.18 2yrs h THR 108 N 0.08 0.83 -0.60 2.57 2.02 -0.92 -0.42 112.91 116.47 2yrs h THR 108 Ca 0.03 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2yrs h THR 108 Cb 0.04 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2yrs h THR 108 CO -0.01 0.05 0.29 -0.07 0.37 0.00 0.00 175.52 176.15 2yrs h LEU 109 N 0.25 0.78 -0.48 2.58 4.07 -0.67 -2.51 115.31 119.32 2yrs h LEU 109 Ca 0.19 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.10 2yrs h LEU 109 Cb 0.21 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 2yrs h LEU 109 CO -0.23 0.68 0.14 0.00 -1.08 0.00 0.00 178.44 177.95 2yrs h ALA 110 N 1.13 0.56 0.00 1.53 0.00 -0.59 0.31 119.26 122.19 2yrs h ALA 110 Ca 0.21 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2yrs h ALA 110 Cb 0.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2yrs h ALA 110 CO -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.96 2yrs h ALA 111 N 1.34 1.00 0.00 0.00 0.00 -0.66 -3.15 119.26 117.80 2yrs h ALA 111 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2yrs h ALA 111 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2yrs h ALA 111 CO -0.27 0.00 -0.09 0.72 0.00 0.00 0.00 179.25 179.61 2yrs n HIS 112 N -2.89 0.00 -3.26 0.00 -0.00 -0.49 -4.74 115.22 103.85 2yrs n HIS 112 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.44 2yrs n HIS 112 Cb 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.05 2yrs n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2yrs n LEU 113 N -1.03 3.75 -0.27 2.41 4.77 0.97 -4.91 117.00 122.68 2yrs n LEU 113 Ca 0.00 -5.47 0.08 0.00 -0.03 0.00 0.00 56.01 50.58 2yrs n LEU 113 Cb 0.00 -0.54 0.22 0.00 -2.33 0.00 0.00 43.42 40.77 2yrs n LEU 113 CO 0.00 2.16 1.00 1.55 -1.33 0.00 0.00 177.39 180.76 2yrs h PRO 114 N 3.78 0.37 0.00 3.23 0.13 -1.84 -1.70 132.00 135.97 2yrs h PRO 114 Ca 0.17 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 65.08 2yrs h PRO 114 Cb 0.63 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2yrs h PRO 114 CO 0.81 0.24 -0.89 0.00 -0.23 0.00 0.00 178.00 177.93 2yrs h ALA 115 N 1.62 0.50 0.00 -0.56 0.00 -1.95 -3.33 119.26 115.54 2yrs h ALA 115 Ca 0.46 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2yrs h ALA 115 Cb 0.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2yrs h ALA 115 CO -0.48 0.90 -1.63 0.39 0.00 0.00 0.00 179.25 178.43 2yrs n GLU 116 N -3.67 0.64 -1.45 0.00 4.71 -1.15 -4.65 120.64 115.07 2yrs n GLU 116 Ca -0.04 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.16 56.65 2yrs n GLU 116 Cb 0.81 -1.64 -0.02 0.00 -1.01 0.00 0.00 31.44 29.58 2yrs n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2yrs n PHE 117 N -2.45 2.75 -2.10 -0.32 7.35 -0.65 -4.65 117.46 117.40 2yrs n PHE 117 Ca -0.04 -3.06 -0.32 0.00 -0.76 0.00 0.00 57.45 53.27 2yrs n PHE 117 Cb 0.59 -2.51 -0.00 0.00 0.35 0.00 0.00 39.48 37.92 2yrs n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2yrs s THR 118 N 2.42 4.15 0.29 -2.13 2.01 -1.26 -4.79 115.64 116.33 2yrs s THR 118 Ca 0.63 0.96 0.03 0.00 0.31 0.00 0.00 61.69 63.62 2yrs s THR 118 Cb 0.17 -3.54 0.28 0.00 0.01 0.00 0.00 72.50 69.42 2yrs s THR 118 CO -0.07 -0.66 1.80 -0.65 -0.69 0.00 0.00 174.62 174.35 2yrs h PRO 119 N 0.42 0.81 -0.39 4.92 0.11 -1.98 0.66 132.00 136.55 2yrs h PRO 119 Ca -0.46 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 2yrs h PRO 119 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2yrs h PRO 119 CO 0.59 0.54 -0.35 0.00 -0.21 0.00 0.00 178.00 178.57 2yrs h ALA 120 N 1.59 0.64 -0.60 -0.75 0.00 -1.94 -0.43 119.26 117.76 2yrs h ALA 120 Ca 0.53 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2yrs h ALA 120 Cb 0.69 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2yrs h ALA 120 CO -0.33 0.67 0.19 0.28 0.00 0.00 0.00 179.25 180.07 2yrs h VAL 121 N 0.75 1.24 -0.02 0.00 2.07 -1.69 -0.67 116.25 117.94 2yrs h VAL 121 Ca 0.07 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2yrs h VAL 121 Cb 0.93 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2yrs h VAL 121 CO 0.09 0.31 -0.13 -0.74 0.02 0.00 0.00 177.57 177.12 2yrs h HIS 122 N 0.85 -0.33 -0.86 1.57 6.17 -0.70 0.38 115.15 122.23 2yrs h HIS 122 Ca 0.19 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.29 2yrs h HIS 122 Cb 0.28 0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.32 2yrs h HIS 122 CO 0.02 -0.19 0.56 0.00 0.71 0.00 0.00 177.93 179.03 2yrs h ALA 123 N 0.76 1.09 -0.07 5.26 0.00 -0.93 0.57 119.26 125.93 2yrs h ALA 123 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2yrs h ALA 123 Cb 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2yrs h ALA 123 CO -0.14 0.50 0.02 0.77 0.00 0.00 0.00 179.25 180.40 2yrs h SER 124 N 1.17 0.11 -0.64 0.00 0.02 0.38 -1.31 113.55 113.27 2yrs h SER 124 Ca 0.31 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2yrs h SER 124 Cb -0.13 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2yrs h SER 124 CO -0.07 0.32 0.25 -0.07 -1.14 0.00 0.00 176.83 176.12 2yrs h LEU 125 N -0.10 0.91 -0.34 5.07 3.38 -0.08 0.20 115.31 124.35 2yrs h LEU 125 Ca 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2yrs h LEU 125 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2yrs h LEU 125 CO 0.00 0.82 0.09 -0.78 0.09 0.00 0.00 178.44 178.66 2yrs h ASP 126 N 0.97 0.51 -0.96 -0.43 3.58 -0.67 -0.08 116.42 119.34 2yrs h ASP 126 Ca 0.22 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2yrs h ASP 126 Cb 0.21 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 2yrs h ASP 126 CO -0.02 0.60 0.60 0.11 -2.88 0.00 0.00 179.24 177.65 2yrs h LYS 127 N 0.40 1.29 0.16 0.28 1.57 -0.77 -0.25 116.57 119.23 2yrs h LYS 127 Ca 0.11 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2yrs h LYS 127 Cb 0.29 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2yrs h LYS 127 CO -0.00 0.88 -0.07 0.35 -0.57 0.00 0.00 179.45 180.04 2yrs h PHE 128 N 1.31 -0.19 -0.75 -1.35 3.57 -0.57 -1.24 116.94 117.72 2yrs h PHE 128 Ca 0.35 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.96 2yrs h PHE 128 Cb -0.09 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 2yrs h PHE 128 CO 0.00 0.10 0.50 -0.07 -2.23 0.00 0.00 178.31 176.62 2yrs h LEU 129 N -0.49 0.54 -0.80 0.59 3.38 -0.98 0.40 115.31 117.95 2yrs h LEU 129 Ca -0.02 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2yrs h LEU 129 Cb 0.38 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2yrs h LEU 129 CO 0.04 0.31 -0.15 0.00 0.09 0.00 0.00 178.44 178.72 2yrs h ALA 130 N 1.63 0.98 -0.11 1.53 0.00 -0.83 -1.54 119.26 120.91 2yrs h ALA 130 Ca 0.36 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2yrs h ALA 130 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2yrs h ALA 130 CO -0.13 0.60 -0.62 0.77 0.00 0.00 0.00 179.25 179.87 2yrs h SER 131 N 0.67 0.44 -0.36 0.00 0.02 -0.29 -1.68 113.55 112.35 2yrs h SER 131 Ca 0.11 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2yrs h SER 131 Cb 0.63 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2yrs h SER 131 CO 0.04 0.95 0.17 0.58 -1.14 0.00 0.00 176.83 177.43 2yrs h VAL 132 N 0.28 1.17 -0.81 2.27 2.07 0.02 -2.06 116.25 119.19 2yrs h VAL 132 Ca -0.01 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2yrs h VAL 132 Cb 1.16 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 2yrs h VAL 132 CO 0.11 0.18 0.54 0.28 0.02 0.00 0.00 177.57 178.69 2yrs h SER 133 N 0.44 0.89 -0.32 0.57 0.02 -1.11 -1.85 113.55 112.19 2yrs h SER 133 Ca 0.12 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 2yrs h SER 133 Cb 0.12 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2yrs h SER 133 CO -0.02 0.63 -0.46 0.74 -1.14 0.00 0.00 176.83 176.58 2yrs h THR 134 N 1.04 1.28 -0.28 -2.27 2.02 -0.99 -2.75 112.91 110.95 2yrs h THR 134 Ca 0.31 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 2yrs h THR 134 Cb -0.04 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2yrs h THR 134 CO -0.08 0.54 0.06 0.58 0.37 0.00 0.00 175.52 176.99 2yrs h VAL 135 N 0.67 1.22 0.00 3.16 2.07 -0.91 -2.35 116.25 120.11 2yrs h VAL 135 Ca 0.03 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2yrs h VAL 135 Cb 1.07 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2yrs h VAL 135 CO 0.11 0.24 0.00 0.18 0.02 0.00 0.00 177.57 178.12 2yrs n LEU 136 N -4.68 0.44 0.00 2.57 4.77 -0.74 -2.19 117.00 117.18 2yrs n LEU 136 Ca -0.03 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2yrs n LEU 136 Cb 0.19 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2yrs n LEU 136 CO 0.37 -0.63 0.29 0.41 -1.33 0.00 0.00 177.39 176.49 2yrs n THR 137 N -2.03 0.28 -0.09 -5.08 -1.04 -1.10 -4.31 114.28 100.91 2yrs n THR 137 Ca 0.01 -0.53 -0.05 0.00 -2.04 0.00 0.00 64.05 61.43 2yrs n THR 137 Cb 0.12 1.00 0.14 0.00 -1.82 0.00 0.00 70.33 69.77 2yrs n THR 137 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2yrs h SER 138 N 0.00 0.75 -0.48 8.00 0.87 -0.92 -2.72 113.55 119.05 2yrs h SER 138 Ca 0.00 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 2yrs h SER 138 Cb 0.29 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 2yrs h SER 138 CO 0.00 0.87 0.05 0.29 -0.53 0.00 0.00 176.83 177.51 2yrs n LYS 139 N -4.17 3.85 -0.09 2.24 5.02 -1.26 -4.59 118.16 119.16 2yrs n LYS 139 Ca 0.01 -3.04 -0.08 0.00 -2.02 0.00 0.00 58.31 53.18 2yrs n LYS 139 Cb 0.35 -2.09 0.08 0.00 -0.02 0.00 0.00 35.03 33.35 2yrs n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2yrs h TYR 140 N 2.84 0.90 0.00 2.13 -1.99 -1.81 -3.46 116.97 115.58 2yrs h TYR 140 Ca 0.06 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.57 2yrs h TYR 140 Cb 1.84 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 40.36 2yrs h TYR 140 CO 0.91 0.95 0.00 2.89 -0.00 0.00 0.00 178.16 182.91