#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 4.31 0.78 7.52 1.43 -1.26 -5.05 118.68 126.40 2yrs s LEU 2 Ca 0.00 1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 54.03 2yrs s LEU 2 Cb 0.00 -2.91 0.08 0.00 0.03 0.00 0.00 46.19 43.39 2yrs s LEU 2 CO 0.00 -0.05 1.12 -0.94 0.23 0.00 0.00 176.35 176.71 2yrs s SER 3 N 0.65 4.51 0.27 2.29 1.04 -1.26 -4.90 113.70 116.30 2yrs s SER 3 Ca 0.32 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.30 2yrs s SER 3 Cb -0.17 -1.09 0.36 0.00 0.10 0.00 0.00 66.02 65.22 2yrs s SER 3 CO 0.15 -1.85 1.85 -0.65 0.98 0.00 0.00 173.24 173.72 2yrs h PRO 4 N -0.91 0.98 -0.89 4.02 0.11 -2.00 -2.48 132.00 130.82 2yrs h PRO 4 Ca -0.45 -0.16 0.19 0.00 0.11 0.00 0.00 66.00 65.70 2yrs h PRO 4 Cb 1.31 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 2yrs h PRO 4 CO 0.61 0.79 0.44 0.00 -0.21 0.00 0.00 178.00 179.63 2yrs h ALA 5 N 1.34 1.42 0.22 -0.75 0.00 -1.99 -0.70 119.26 118.80 2yrs h ALA 5 Ca 0.23 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2yrs h ALA 5 Cb 0.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2yrs h ALA 5 CO -0.02 -0.22 -0.11 -0.44 0.00 0.00 0.00 179.25 178.46 2yrs h ASP 6 N 0.53 -0.25 -1.00 0.00 3.32 -1.81 0.06 116.42 117.27 2yrs h ASP 6 Ca 0.53 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.63 2yrs h ASP 6 Cb 0.91 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.46 2yrs h ASP 6 CO -0.45 -0.17 0.65 0.11 -1.72 0.00 0.00 179.24 177.66 2yrs h LYS 7 N -0.31 1.19 0.00 3.56 1.57 -0.94 0.14 116.57 121.79 2yrs h LYS 7 Ca -0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2yrs h LYS 7 Cb 0.24 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2yrs h LYS 7 CO 0.05 0.79 -0.00 1.15 -0.57 0.00 0.00 179.45 180.87 2yrs h THR 8 N 1.23 1.16 -0.60 -0.16 2.02 -0.93 0.11 112.91 115.73 2yrs h THR 8 Ca 0.41 -0.46 0.11 0.00 0.77 0.00 0.00 66.41 67.24 2yrs h THR 8 Cb 0.06 1.47 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 2yrs h THR 8 CO -0.14 0.12 0.16 0.78 0.37 0.00 0.00 175.52 176.80 2yrs h ASN 9 N -0.20 0.06 -0.07 4.18 2.35 0.59 -0.64 115.58 121.85 2yrs h ASN 9 Ca -0.00 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2yrs h ASN 9 Cb 0.20 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 2yrs h ASN 9 CO 0.00 0.04 -0.10 0.58 -1.65 0.00 0.00 177.43 176.30 2yrs h VAL 10 N 0.30 1.40 -0.92 2.81 2.07 -0.54 -1.30 116.25 120.08 2yrs h VAL 10 Ca 0.32 -1.35 0.07 0.00 0.82 0.00 0.00 66.70 66.55 2yrs h VAL 10 Cb 0.45 2.14 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 2yrs h VAL 10 CO -0.38 0.38 0.58 0.11 0.02 0.00 0.00 177.57 178.27 2yrs h LYS 11 N -0.28 1.01 -0.28 1.57 1.57 -0.58 0.14 116.57 119.72 2yrs h LYS 11 Ca 0.01 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2yrs h LYS 11 Cb 0.66 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2yrs h LYS 11 CO 0.02 0.67 -0.23 0.00 -0.57 0.00 0.00 179.45 179.34 2yrs h ALA 12 N 1.43 0.40 -0.18 3.86 0.00 -0.98 0.63 119.26 124.42 2yrs h ALA 12 Ca 0.40 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2yrs h ALA 12 Cb 0.19 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2yrs h ALA 12 CO -0.18 0.36 -0.73 0.00 0.00 0.00 0.00 179.25 178.70 2yrs h ALA 13 N 0.71 0.34 0.00 0.00 0.00 -0.84 -1.92 119.26 117.55 2yrs h ALA 13 Ca 0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 2yrs h ALA 13 Cb 0.78 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2yrs h ALA 13 CO 0.06 0.68 -0.72 2.35 0.00 0.00 0.00 179.25 181.63 2yrs h TRP 14 N 0.58 0.00 -0.46 0.00 2.91 -0.73 -2.08 115.95 116.17 2yrs h TRP 14 Ca -0.04 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.07 2yrs h TRP 14 Cb 1.36 0.00 -0.10 0.00 -0.51 0.00 0.00 29.16 29.91 2yrs h TRP 14 CO 0.08 0.72 -0.30 0.78 -1.03 0.00 0.00 178.44 178.69 2yrs h GLY 15 N 2.65 -0.13 2.00 2.65 0.00 0.52 -2.81 103.07 107.96 2yrs h GLY 15 Ca -0.01 0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 2yrs h GLY 15 CO 0.09 -0.21 -0.15 1.70 0.00 0.00 0.00 176.54 177.98 2yrs h LYS 16 N -0.20 0.00 0.25 4.80 3.11 -0.87 -3.11 116.57 120.55 2yrs h LYS 16 Ca 0.20 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.03 2yrs h LYS 16 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 2yrs h LYS 16 CO -0.57 0.15 -0.12 0.28 -2.81 0.00 0.00 179.45 176.37 2yrs h VAL 17 N 0.00 0.00 0.00 2.00 2.07 -1.22 -3.46 116.25 115.64 2yrs h VAL 17 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2yrs h VAL 17 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2yrs h VAL 17 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 2yrs n GLY 18 N -0.42 1.00 0.26 2.17 0.00 -1.07 -2.43 105.19 104.71 2yrs n GLY 18 Ca -0.04 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 2yrs n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrs h ALA 19 N -0.97 1.04 -0.01 4.61 0.00 -1.88 -2.61 119.26 119.44 2yrs h ALA 19 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2yrs h ALA 19 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2yrs h ALA 19 CO 0.00 0.58 0.00 0.72 0.00 0.00 0.00 179.25 180.55 2yrs n HIS 20 N -4.16 0.01 -0.24 0.00 8.25 -1.02 -4.42 115.22 113.64 2yrs n HIS 20 Ca 0.01 -0.01 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2yrs n HIS 20 Cb 0.37 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.57 2yrs n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yrs h ALA 21 N 3.87 0.51 -0.13 -1.41 0.00 -1.60 -0.42 119.26 120.07 2yrs h ALA 21 Ca 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2yrs h ALA 21 Cb 0.07 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2yrs h ALA 21 CO 0.00 -0.42 -0.25 0.78 0.00 0.00 0.00 179.25 179.36 2yrs h GLY 22 N 0.01 0.25 0.72 0.00 0.00 -1.85 0.24 103.07 102.45 2yrs h GLY 22 Ca 0.35 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2yrs h GLY 22 CO -0.72 0.17 -0.06 -2.09 0.00 0.00 0.00 176.54 173.85 2yrs h GLU 23 N 0.21 0.26 0.03 4.80 4.81 -1.45 -1.39 114.58 121.85 2yrs h GLU 23 Ca 0.03 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2yrs h GLU 23 Cb 0.57 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2yrs h GLU 23 CO 0.04 0.59 -0.11 1.88 -0.73 0.00 0.00 179.01 180.68 2yrs h TYR 24 N -0.09 -0.29 -0.87 0.92 -1.99 -0.87 -0.05 116.97 113.72 2yrs h TYR 24 Ca 0.03 0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.91 2yrs h TYR 24 Cb 0.51 0.13 -0.15 0.00 2.00 0.00 0.00 36.73 39.22 2yrs h TYR 24 CO 0.07 -0.18 -0.30 0.41 -0.00 0.00 0.00 178.16 178.16 2yrs n GLY 25 N -1.24 -1.68 0.14 3.88 0.00 0.83 -0.61 105.19 106.52 2yrs n GLY 25 Ca -0.06 0.96 -0.16 0.00 0.00 0.00 0.00 46.02 46.76 2yrs n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrs h ALA 26 N 1.38 0.22 -0.15 4.61 0.00 -0.74 -2.21 119.26 122.37 2yrs h ALA 26 Ca 0.34 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2yrs h ALA 26 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2yrs h ALA 26 CO -0.87 0.84 0.09 1.49 0.00 0.00 0.00 179.25 180.79 2yrs h GLU 27 N 0.19 0.20 -0.53 0.00 4.81 -0.13 -1.62 114.58 117.50 2yrs h GLU 27 Ca -0.11 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.20 2yrs h GLU 27 Cb 1.75 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.99 2yrs h GLU 27 CO 0.19 0.19 -0.09 0.00 -0.73 0.00 0.00 179.01 178.56 2yrs h ALA 28 N 1.00 0.40 -0.82 2.92 0.00 -0.85 0.66 119.26 122.56 2yrs h ALA 28 Ca 0.05 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2yrs h ALA 28 Cb 0.04 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2yrs h ALA 28 CO -0.01 -0.43 0.51 -0.07 0.00 0.00 0.00 179.25 179.25 2yrs h LEU 29 N 0.03 0.98 -0.47 0.00 3.38 -1.24 -0.67 115.31 117.32 2yrs h LEU 29 Ca 0.26 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 2yrs h LEU 29 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2yrs h LEU 29 CO -0.52 0.75 -0.68 -0.08 0.09 0.00 0.00 178.44 178.01 2yrs h GLU 30 N 1.13 0.39 -0.64 1.13 4.81 -0.63 -0.53 114.58 120.24 2yrs h GLU 30 Ca 0.30 -0.30 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2yrs h GLU 30 Cb -0.06 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2yrs h GLU 30 CO -0.06 0.92 0.42 0.00 -0.73 0.00 0.00 179.01 179.57 2yrs h ARG 31 N 0.28 0.71 -0.07 1.92 3.08 0.55 -2.59 114.38 118.26 2yrs h ARG 31 Ca -0.02 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2yrs h ARG 31 Cb 1.23 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2yrs h ARG 31 CO 0.11 0.47 -0.09 1.98 -1.07 0.00 0.00 179.97 181.37 2yrs h MET 32 N 0.74 0.20 -0.64 0.04 4.05 -0.64 0.28 114.93 118.94 2yrs h MET 32 Ca 0.26 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 2yrs h MET 32 Cb 0.12 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 2yrs h MET 32 CO -0.07 0.66 0.34 0.74 0.23 0.00 0.00 176.91 178.80 2yrs h PHE 33 N -0.25 0.87 0.21 1.39 0.04 -1.09 0.29 116.94 118.40 2yrs h PHE 33 Ca 0.01 -0.02 -0.32 0.00 2.80 0.00 0.00 57.97 60.45 2yrs h PHE 33 Cb 0.63 -0.28 0.03 0.00 2.20 0.00 0.00 35.95 38.53 2yrs h PHE 33 CO 0.10 0.62 -1.42 -0.07 -0.60 0.00 0.00 178.31 176.94 2yrs h LEU 34 N 0.90 0.69 -0.31 1.54 3.38 -1.48 -3.18 115.31 116.84 2yrs h LEU 34 Ca 0.23 -0.75 -0.20 0.00 0.09 0.00 0.00 57.88 57.25 2yrs h LEU 34 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2yrs h LEU 34 CO -0.04 1.59 -0.84 0.28 0.09 0.00 0.00 178.44 179.52 2yrs h SER 35 N 0.12 0.34 -2.17 -0.43 0.02 -0.74 -3.40 113.55 107.29 2yrs h SER 35 Ca -0.22 -0.26 -0.58 0.00 -0.84 0.00 0.00 61.79 59.90 2yrs h SER 35 Cb 2.10 -0.10 -0.39 0.00 0.14 0.00 0.00 62.40 64.15 2yrs h SER 35 CO 0.25 1.04 -1.00 0.49 -1.14 0.00 0.00 176.83 176.47 2yrs n PHE 36 N -3.72 0.05 -0.34 3.45 3.72 0.10 -5.00 117.46 115.72 2yrs n PHE 36 Ca -0.04 -3.58 0.29 0.00 -0.05 0.00 0.00 57.45 54.07 2yrs n PHE 36 Cb 0.78 -0.21 0.62 0.00 -0.94 0.00 0.00 39.48 39.73 2yrs n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2yrs h PRO 37 N 4.53 0.20 -0.06 -1.08 0.11 -1.70 -0.79 132.00 133.21 2yrs h PRO 37 Ca 0.14 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.26 2yrs h PRO 37 Cb 0.86 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2yrs h PRO 37 CO 0.49 0.13 0.07 1.79 -0.21 0.00 0.00 178.00 180.27 2yrs h THR 38 N 0.20 0.43 0.00 -1.15 1.35 -1.90 0.27 112.91 112.10 2yrs h THR 38 Ca 0.61 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.45 2yrs h THR 38 Cb 1.94 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2yrs h THR 38 CO -0.19 0.00 -0.08 0.71 -0.25 0.00 0.00 175.52 175.71 2yrs h THR 39 N 0.00 0.36 0.00 6.82 1.35 -1.46 -2.76 112.91 117.22 2yrs h THR 39 Ca 0.03 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2yrs h THR 39 Cb 0.17 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2yrs h THR 39 CO -0.00 0.08 0.00 0.11 -0.25 0.00 0.00 175.52 175.46 2yrs h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -0.66 -2.50 116.57 119.70 2yrs h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2yrs h LYS 40 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2yrs h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 2yrs h THR 41 N 0.00 0.00 -0.02 -0.16 1.35 -1.65 -0.28 112.91 112.16 2yrs h THR 41 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2yrs h THR 41 Cb 0.06 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2yrs h THR 41 CO 0.00 0.00 -0.26 -1.22 -0.25 0.00 0.00 175.52 173.79 2yrs n TYR 42 N -2.39 0.00 -2.88 4.73 4.01 -0.94 -4.38 117.16 115.31 2yrs n TYR 42 Ca 0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.53 2yrs n TYR 42 Cb 0.24 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.08 2.60 0.44 -0.72 3.01 -0.11 -4.86 117.46 117.90 2yrs n PHE 43 Ca 0.12 -3.65 0.13 0.00 1.01 0.00 0.00 57.45 55.07 2yrs n PHE 43 Cb 0.44 -0.38 0.42 0.00 -0.01 0.00 0.00 39.48 39.96 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 2.91 0.00 -0.65 -1.08 0.13 -1.76 -2.83 132.00 128.72 2yrs h PRO 44 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2yrs h PRO 44 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2yrs h PRO 44 CO 0.71 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.09 2yrs n HIS 45 N -2.53 0.86 -4.26 1.56 1.44 -1.26 -4.87 115.22 106.15 2yrs n HIS 45 Ca 0.04 -0.43 -0.34 0.00 -2.01 0.00 0.00 57.72 54.98 2yrs n HIS 45 Cb 0.38 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.41 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 -1.14 3.20 -0.05 -1.40 0.40 -1.07 -5.06 117.98 112.86 2yrs s PHE 46 Ca 0.46 0.20 -0.30 0.00 -0.60 0.00 0.00 56.93 56.69 2yrs s PHE 46 Cb 0.24 -1.76 -0.06 0.00 0.51 0.00 0.00 43.02 41.96 2yrs s PHE 46 CO 0.32 0.51 1.64 0.34 0.70 0.00 0.00 175.22 178.72 2yrs s ASP 47 N -1.23 6.68 0.00 1.36 2.15 -1.26 -4.91 116.67 119.45 2yrs s ASP 47 Ca 0.17 2.23 0.16 0.00 0.43 0.00 0.00 52.55 55.54 2yrs s ASP 47 Cb -0.12 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.41 2yrs s ASP 47 CO 0.07 -0.91 1.36 0.18 -0.17 0.00 0.00 175.17 175.69 2yrs n LEU 48 N 7.01 3.33 -4.74 -1.34 4.77 -1.26 -4.57 117.00 120.20 2yrs n LEU 48 Ca 0.17 -1.92 -0.42 0.00 -0.03 0.00 0.00 56.01 53.82 2yrs n LEU 48 Cb 0.43 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2yrs n LEU 48 CO 0.62 0.82 1.04 -1.54 -1.33 0.00 0.00 177.39 177.00 2yrs n SER 49 N 1.04 3.37 -4.54 -1.43 3.41 -1.26 -4.88 113.62 109.33 2yrs n SER 49 Ca 0.17 1.22 -0.47 0.00 -0.26 0.00 0.00 58.87 59.53 2yrs n SER 49 Cb 0.51 -1.57 -0.03 0.00 -0.26 0.00 0.00 64.21 62.87 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 0.37 0.82 -3.56 7.33 -0.00 -1.26 -0.79 115.22 118.13 2yrs n HIS 50 Ca 0.03 0.78 -0.23 0.00 0.46 0.00 0.00 57.72 58.75 2yrs n HIS 50 Cb 0.38 -2.18 0.08 0.00 -0.12 0.00 0.00 29.99 28.15 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 1.61 -0.50 3.74 1.57 0.00 -1.26 -4.98 105.19 105.38 2yrs n GLY 51 Ca 0.13 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 2yrs n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yrs s SER 52 N -3.33 7.33 0.07 1.61 0.15 0.03 -4.97 113.70 114.59 2yrs s SER 52 Ca 0.56 2.07 -0.17 0.00 0.70 0.00 0.00 55.95 59.11 2yrs s SER 52 Cb -0.25 -2.61 -0.11 0.00 -1.71 0.00 0.00 66.02 61.34 2yrs s SER 52 CO 0.71 -0.15 1.38 0.00 1.20 0.00 0.00 173.24 176.37 2yrs h ALA 53 N 4.86 0.34 -0.55 5.45 0.00 -1.89 -2.16 119.26 125.30 2yrs h ALA 53 Ca -0.45 -0.38 0.15 0.00 0.00 0.00 0.00 54.91 54.24 2yrs h ALA 53 Cb 1.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2yrs h ALA 53 CO 0.71 0.32 0.39 1.96 0.00 0.00 0.00 179.25 182.63 2yrs h GLN 54 N 0.26 0.03 0.11 0.00 4.20 -1.93 0.28 115.11 118.06 2yrs h GLN 54 Ca 0.03 -0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.55 2yrs h GLN 54 Cb 0.81 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.61 2yrs h GLN 54 CO 0.06 0.02 -0.81 0.28 -0.67 0.00 0.00 178.83 177.72 2yrs h VAL 55 N 0.03 1.47 -0.55 -0.54 2.07 -1.74 -0.65 116.25 116.35 2yrs h VAL 55 Ca 0.26 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 2yrs h VAL 55 Cb 1.01 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.78 2yrs h VAL 55 CO -0.01 0.70 0.30 0.11 0.02 0.00 0.00 177.57 178.69 2yrs h LYS 56 N -0.26 0.75 -0.11 1.57 1.57 -1.00 0.88 116.57 119.98 2yrs h LYS 56 Ca -0.13 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2yrs h LYS 56 Cb 1.60 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 2yrs h LYS 56 CO 0.15 0.55 -0.06 0.78 -0.57 0.00 0.00 179.45 180.31 2yrs h GLY 57 N 0.83 0.25 1.02 3.86 0.00 -0.40 -2.47 103.07 106.15 2yrs h GLY 57 Ca 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2yrs h GLY 57 CO -0.03 0.21 0.29 0.84 0.00 0.00 0.00 176.54 177.84 2yrs h HIS 58 N -0.14 1.07 -0.62 5.60 -0.00 -0.82 -2.55 115.15 117.68 2yrs h HIS 58 Ca 0.02 -0.08 0.13 0.00 -0.00 0.00 0.00 60.37 60.44 2yrs h HIS 58 Cb 0.53 -0.32 -0.10 0.00 -0.00 0.00 0.00 27.41 27.52 2yrs h HIS 58 CO 0.07 0.82 0.06 0.78 -0.00 0.00 0.00 177.93 179.66 2yrs h GLY 59 N 1.01 0.73 1.11 5.26 0.00 0.92 0.29 103.07 112.38 2yrs h GLY 59 Ca 0.24 0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 2yrs h GLY 59 CO -0.02 -0.18 -0.26 1.70 0.00 0.00 0.00 176.54 177.79 2yrs h LYS 60 N 0.17 0.99 -0.36 4.80 3.11 -1.29 0.22 116.57 124.21 2yrs h LYS 60 Ca 0.33 -0.45 -0.00 0.00 -2.81 0.00 0.00 60.65 57.72 2yrs h LYS 60 Cb 0.53 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 2yrs h LYS 60 CO -0.49 1.12 0.22 0.87 -2.81 0.00 0.00 179.45 178.36 2yrs h LYS 61 N 0.84 0.49 -0.49 1.90 1.57 -0.72 0.28 116.57 120.44 2yrs h LYS 61 Ca 0.10 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2yrs h LYS 61 Cb 0.85 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2yrs h LYS 61 CO 0.07 0.37 0.29 0.28 -0.57 0.00 0.00 179.45 179.89 2yrs h VAL 62 N 0.47 1.15 -0.75 0.50 2.07 0.05 -1.12 116.25 118.62 2yrs h VAL 62 Ca 0.13 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2yrs h VAL 62 Cb 0.01 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2yrs h VAL 62 CO -0.02 0.16 0.35 0.00 0.02 0.00 0.00 177.57 178.08 2yrs h ALA 63 N 1.13 0.96 -0.37 1.67 0.00 -0.09 0.12 119.26 122.68 2yrs h ALA 63 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2yrs h ALA 63 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2yrs h ALA 63 CO -0.03 0.53 0.13 -0.44 0.00 0.00 0.00 179.25 179.44 2yrs h ASP 64 N 1.05 0.53 -0.27 0.00 3.32 -0.10 0.48 116.42 121.44 2yrs h ASP 64 Ca 0.26 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.17 2yrs h ASP 64 Cb 0.13 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 2yrs h ASP 64 CO -0.03 0.58 -0.11 0.00 -1.72 0.00 0.00 179.24 177.96 2yrs h ALA 65 N 0.97 0.11 -0.64 3.45 0.00 -0.90 0.65 119.26 122.90 2yrs h ALA 65 Ca 0.12 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2yrs h ALA 65 Cb 0.23 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2yrs h ALA 65 CO -0.01 -0.51 0.33 -0.07 0.00 0.00 0.00 179.25 178.99 2yrs h LEU 66 N -0.07 0.45 -0.22 0.00 4.07 -0.45 0.37 115.31 119.46 2yrs h LEU 66 Ca 0.14 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 2yrs h LEU 66 Cb 0.28 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 2yrs h LEU 66 CO -0.31 0.28 0.12 0.74 -1.08 0.00 0.00 178.44 178.19 2yrs h THR 67 N 0.59 1.10 -0.61 0.22 2.02 0.93 0.15 112.91 117.31 2yrs h THR 67 Ca 0.30 -0.26 0.12 0.00 0.77 0.00 0.00 66.41 67.34 2yrs h THR 67 Cb 0.26 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 2yrs h THR 67 CO -0.22 0.10 0.12 -1.13 0.37 0.00 0.00 175.52 174.75 2yrs h ASN 68 N 0.25 -0.02 -0.46 4.18 -1.24 0.95 -2.26 115.58 116.98 2yrs h ASN 68 Ca 0.08 0.12 0.06 0.00 0.71 0.00 0.00 56.30 57.27 2yrs h ASN 68 Cb 0.05 0.17 -0.06 0.00 0.73 0.00 0.00 38.32 39.21 2yrs h ASN 68 CO -0.01 -0.01 0.14 0.00 -1.29 0.00 0.00 177.43 176.26 2yrs h ALA 69 N 1.49 0.54 -0.68 1.57 0.00 0.78 -0.11 119.26 122.84 2yrs h ALA 69 Ca 0.32 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.33 2yrs h ALA 69 Cb 0.49 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2yrs h ALA 69 CO -0.42 -0.25 0.43 0.28 0.00 0.00 0.00 179.25 179.29 2yrs h VAL 70 N 0.30 1.10 0.00 0.00 2.07 -0.28 -0.92 116.25 118.52 2yrs h VAL 70 Ca 0.22 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 2yrs h VAL 70 Cb 0.24 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2yrs h VAL 70 CO -0.24 0.15 -0.71 0.00 0.02 0.00 0.00 177.57 176.79 2yrs h ALA 71 N 1.29 0.75 -1.06 1.67 0.00 -1.23 -3.00 119.26 117.67 2yrs h ALA 71 Ca 0.27 -0.64 -0.68 0.00 0.00 0.00 0.00 54.91 53.86 2yrs h ALA 71 Cb 0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 17.79 17.36 2yrs h ALA 71 CO -0.10 0.88 0.44 0.72 0.00 0.00 0.00 179.25 181.19 2yrs n HIS 72 N -3.57 3.10 0.01 0.00 8.25 -0.07 -4.75 115.22 118.18 2yrs n HIS 72 Ca -0.00 -2.66 0.06 0.00 -0.26 0.00 0.00 57.72 54.86 2yrs n HIS 72 Cb 0.72 -0.96 0.47 0.00 1.12 0.00 0.00 29.99 31.34 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 1.83 1.04 -0.00 1.59 3.04 -1.03 -1.64 116.25 121.07 2yrs h VAL 73 Ca 0.51 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 2yrs h VAL 73 Cb 0.62 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2yrs h VAL 73 CO 1.29 0.08 -0.17 0.47 -1.01 0.00 0.00 177.57 178.24 2yrs n ASP 74 N -4.48 0.24 -2.78 3.17 8.00 -1.26 -3.86 116.55 115.58 2yrs n ASP 74 Ca 0.04 0.04 -0.02 0.00 0.71 0.00 0.00 54.79 55.56 2yrs n ASP 74 Cb 0.14 -0.19 0.06 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.38 0.91 -0.19 -2.24 2.03 -0.77 -4.97 116.55 109.94 2yrs n ASP 75 Ca 0.08 -2.19 -0.00 0.00 0.52 0.00 0.00 54.79 53.20 2yrs n ASP 75 Cb 0.32 -0.23 0.09 0.00 -0.72 0.00 0.00 41.12 40.58 2yrs n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2yrs h MET 76 N 2.39 0.23 -0.63 -0.67 2.86 -1.44 -0.53 114.93 117.16 2yrs h MET 76 Ca -0.19 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.56 2yrs h MET 76 Cb 1.26 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 32.75 2yrs h MET 76 CO 0.16 0.15 -0.19 -1.35 1.06 0.00 0.00 176.91 176.75 2yrs h PRO 77 N 0.24 -0.03 0.02 -0.22 0.11 -1.93 0.25 132.00 130.43 2yrs h PRO 77 Ca 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 2yrs h PRO 77 Cb 0.43 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2yrs h PRO 77 CO -0.39 -0.02 -0.01 -0.91 -0.21 0.00 0.00 178.00 176.46 2yrs h ASN 78 N -0.03 -0.03 -0.33 -2.05 4.21 -1.86 -1.88 115.58 113.60 2yrs h ASN 78 Ca 0.29 -0.36 0.10 0.00 1.21 0.00 0.00 56.30 57.54 2yrs h ASN 78 Cb 0.49 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2yrs h ASN 78 CO -0.66 0.35 0.27 0.00 -1.29 0.00 0.00 177.43 176.10 2yrs h ALA 79 N 0.55 2.21 -0.33 -0.83 0.00 -0.22 -1.72 119.26 118.91 2yrs h ALA 79 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2yrs h ALA 79 Cb 0.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2yrs h ALA 79 CO 0.01 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.09 2yrs n LEU 80 N -4.22 2.91 -0.25 0.00 4.77 0.78 -4.83 117.00 116.16 2yrs n LEU 80 Ca 0.05 -2.01 0.02 0.00 -0.03 0.00 0.00 56.01 54.03 2yrs n LEU 80 Cb 0.44 -0.23 0.14 0.00 -2.33 0.00 0.00 43.42 41.44 2yrs n LEU 80 CO 0.33 0.72 1.08 -1.28 -1.33 0.00 0.00 177.39 176.91 2yrs h SER 81 N 1.95 0.49 0.22 -1.43 0.87 -0.45 0.26 113.55 115.46 2yrs h SER 81 Ca 0.00 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.47 2yrs h SER 81 Cb 0.73 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2yrs h SER 81 CO 0.00 0.28 -0.58 0.00 -0.53 0.00 0.00 176.83 176.01 2yrs h ALA 82 N 1.43 0.79 -0.40 6.23 0.00 -1.87 0.16 119.26 125.61 2yrs h ALA 82 Ca 0.36 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2yrs h ALA 82 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2yrs h ALA 82 CO -0.27 0.70 -0.14 -0.07 0.00 0.00 0.00 179.25 179.48 2yrs h LEU 83 N 0.28 0.81 -0.49 0.00 4.07 -1.00 -2.09 115.31 116.89 2yrs h LEU 83 Ca -0.00 -0.38 -0.17 0.00 0.08 0.00 0.00 57.88 57.41 2yrs h LEU 83 Cb 1.09 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 2yrs h LEU 83 CO 0.10 1.01 -0.57 0.77 -1.08 0.00 0.00 178.44 178.67 2yrs h SER 84 N 0.61 0.63 -0.05 -0.43 4.64 -0.37 -1.28 113.55 117.29 2yrs h SER 84 Ca 0.09 -0.34 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2yrs h SER 84 Cb 0.68 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 2yrs h SER 84 CO 0.05 1.06 -0.09 0.44 -0.87 0.00 0.00 176.83 177.43 2yrs h ASP 85 N 0.42 -0.26 -0.69 4.97 3.32 -0.74 -0.20 116.42 123.25 2yrs h ASP 85 Ca 0.00 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.16 2yrs h ASP 85 Cb 1.12 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 2yrs h ASP 85 CO 0.11 -0.12 0.39 0.25 -1.72 0.00 0.00 179.24 178.14 2yrs h LEU 86 N -0.13 0.57 -0.15 1.55 5.85 -1.30 0.13 115.31 121.84 2yrs h LEU 86 Ca 0.05 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2yrs h LEU 86 Cb 0.20 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2yrs h LEU 86 CO -0.12 0.37 -0.13 0.45 -0.34 0.00 0.00 178.44 178.66 2yrs h HIS 87 N 0.71 0.42 -0.59 1.25 3.86 -1.01 0.75 115.15 120.54 2yrs h HIS 87 Ca 0.31 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2yrs h HIS 87 Cb 0.20 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 2yrs h HIS 87 CO -0.08 0.73 0.38 0.00 0.86 0.00 0.00 177.93 179.83 2yrs h ALA 88 N 0.62 0.76 0.00 2.45 0.00 -0.92 0.56 119.26 122.73 2yrs h ALA 88 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2yrs h ALA 88 Cb 0.65 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2yrs h ALA 88 CO 0.03 0.21 -1.86 0.72 0.00 0.00 0.00 179.25 178.35 2yrs n HIS 89 N -4.65 0.00 -0.00 0.00 8.25 0.44 -4.52 115.22 114.74 2yrs n HIS 89 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.46 2yrs n HIS 89 Cb 0.03 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 30.61 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 -2.25 0.10 -0.03 -0.41 4.81 0.06 -4.85 118.16 115.59 2yrs n LYS 90 Ca -0.11 0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.24 2yrs n LYS 90 Cb 0.64 -0.68 -0.09 0.00 0.02 0.00 0.00 35.03 34.92 2yrs n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2yrs h LEU 91 N -0.18 0.14 -1.46 3.14 3.38 -1.08 -3.47 115.31 115.77 2yrs h LEU 91 Ca -0.07 -0.48 -0.42 0.00 0.09 0.00 0.00 57.88 57.00 2yrs h LEU 91 Cb 0.68 -0.04 0.06 0.00 0.09 0.00 0.00 40.66 41.45 2yrs h LEU 91 CO -0.04 0.59 -0.79 0.54 0.09 0.00 0.00 178.44 178.83 2yrs n ARG 92 N -4.75 -5.66 -1.94 1.13 1.74 0.20 -4.95 116.66 102.43 2yrs n ARG 92 Ca -0.08 0.67 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 2yrs n ARG 92 Cb 0.29 -5.44 -0.03 0.00 -1.02 0.00 0.00 32.46 26.26 2yrs n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2yrs s VAL 93 N -3.49 2.79 0.24 1.55 1.01 -1.26 -4.98 120.40 116.26 2yrs s VAL 93 Ca 0.23 0.48 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 2yrs s VAL 93 Cb -0.11 -3.31 -0.13 0.00 0.00 0.00 0.00 36.38 32.83 2yrs s VAL 93 CO 0.80 0.02 1.45 -0.67 0.00 0.00 0.00 175.10 176.70 2yrs n ASP 94 N 4.51 2.91 -0.35 3.32 -0.08 -1.26 -4.86 116.55 120.73 2yrs n ASP 94 Ca 0.14 1.14 0.29 0.00 -1.51 0.00 0.00 54.79 54.85 2yrs n ASP 94 Cb 0.39 -1.45 0.60 0.00 2.34 0.00 0.00 41.12 43.00 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 4.45 0.23 -0.93 -0.67 0.11 -1.99 -1.53 132.00 131.67 2yrs h PRO 95 Ca -0.45 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.83 2yrs h PRO 95 Cb 1.27 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 2yrs h PRO 95 CO 0.77 0.15 0.51 0.28 -0.21 0.00 0.00 178.00 179.50 2yrs h VAL 96 N 0.24 0.65 0.00 3.15 2.07 -2.03 -2.37 116.25 117.96 2yrs h VAL 96 Ca 0.64 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.91 2yrs h VAL 96 Cb 1.93 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2yrs h VAL 96 CO -0.25 0.11 -0.16 0.78 0.02 0.00 0.00 177.57 178.08 2yrs h ASN 97 N 0.63 0.00 0.01 0.57 4.21 -1.63 -1.66 115.58 117.71 2yrs h ASN 97 Ca 0.54 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.99 2yrs h ASN 97 Cb 0.88 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.07 2yrs h ASN 97 CO -0.41 0.16 -0.16 -0.26 -1.29 0.00 0.00 177.43 175.46 2yrs h PHE 98 N 0.00 0.31 0.00 1.19 -1.00 -1.59 -1.31 116.94 114.54 2yrs h PHE 98 Ca -0.00 -0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.60 2yrs h PHE 98 Cb 0.50 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 2yrs h PHE 98 CO 0.00 0.45 -0.64 1.57 -1.61 0.00 0.00 178.31 178.08 2yrs h LYS 99 N 0.28 0.00 -0.13 1.51 2.10 -1.40 -0.94 116.57 117.98 2yrs h LYS 99 Ca 0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.67 2yrs h LYS 99 Cb 0.45 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2yrs h LYS 99 CO 0.03 0.64 -0.04 -0.07 -2.00 0.00 0.00 179.45 178.00 2yrs h LEU 100 N 0.00 0.27 -0.18 7.07 3.38 -1.36 -1.43 115.31 123.06 2yrs h LEU 100 Ca -0.01 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2yrs h LEU 100 Cb 1.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2yrs h LEU 100 CO 0.08 0.59 0.09 0.25 0.09 0.00 0.00 178.44 179.55 2yrs h LEU 101 N -0.06 0.22 -1.03 1.67 6.46 -1.20 -1.81 115.31 119.57 2yrs h LEU 101 Ca 0.03 -0.10 0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2yrs h LEU 101 Cb 0.48 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 2yrs h LEU 101 CO 0.02 0.26 0.65 0.28 -0.62 0.00 0.00 178.44 179.02 2yrs h SER 102 N 0.17 1.06 -0.54 1.25 0.02 -1.12 0.79 113.55 115.18 2yrs h SER 102 Ca 0.06 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2yrs h SER 102 Cb 0.09 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2yrs h SER 102 CO -0.01 0.70 0.34 -0.74 -1.14 0.00 0.00 176.83 175.98 2yrs h HIS 103 N 1.21 0.69 -0.35 3.45 -0.00 -0.94 -0.28 115.15 118.94 2yrs h HIS 103 Ca 0.41 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.65 2yrs h HIS 103 Cb 0.09 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 2yrs h HIS 103 CO -0.00 0.46 -0.33 0.00 -0.00 0.00 0.00 177.93 178.06 2yrs h LEU 105 N 0.65 -1.04 -0.73 0.00 -0.00 0.68 -0.31 115.31 114.56 2yrs h LEU 105 Ca 0.07 0.17 0.04 0.00 -0.00 0.00 0.00 57.88 58.17 2yrs h LEU 105 Cb 0.87 0.47 -0.05 0.00 -0.00 0.00 0.00 40.66 41.95 2yrs h LEU 105 CO 0.08 -0.33 0.44 -0.07 -0.00 0.00 0.00 178.44 178.56 2yrs h LEU 106 N -0.30 0.71 -0.42 1.67 -0.00 -0.56 0.07 115.31 116.48 2yrs h LEU 106 Ca 0.14 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 2yrs h LEU 106 Cb 0.54 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 2yrs h LEU 106 CO -0.47 0.47 0.17 0.58 -0.00 0.00 0.00 178.44 179.19 2yrs h VAL 107 N 0.84 1.20 0.08 1.22 2.07 -0.98 0.17 116.25 120.85 2yrs h VAL 107 Ca 0.31 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.23 2yrs h VAL 107 Cb 0.09 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2yrs h VAL 107 CO -0.14 0.22 -0.23 0.74 0.02 0.00 0.00 177.57 178.18 2yrs h THR 108 N 0.53 0.48 -0.74 2.57 2.02 0.12 -0.19 112.91 117.70 2yrs h THR 108 Ca 0.14 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.40 2yrs h THR 108 Cb 0.19 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 2yrs h THR 108 CO -0.01 0.00 0.41 -0.07 0.37 0.00 0.00 175.52 176.22 2yrs h LEU 109 N -0.41 0.59 -0.56 2.58 4.07 -0.85 -1.56 115.31 119.17 2yrs h LEU 109 Ca 0.04 0.04 0.04 0.00 0.08 0.00 0.00 57.88 58.08 2yrs h LEU 109 Cb 0.45 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 2yrs h LEU 109 CO -0.15 0.35 0.31 0.00 -1.08 0.00 0.00 178.44 177.87 2yrs h ALA 110 N 1.41 0.73 0.00 1.53 0.00 0.13 0.50 119.26 123.56 2yrs h ALA 110 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2yrs h ALA 110 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2yrs h ALA 110 CO -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.02 2yrs n ALA 111 N -2.32 2.10 -0.01 0.00 0.00 -0.16 -3.44 120.51 116.69 2yrs n ALA 111 Ca 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2yrs n ALA 111 Cb 0.12 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 2yrs n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2yrs n HIS 112 N -1.80 0.00 -3.13 0.00 -0.00 -0.89 -4.77 115.22 104.62 2yrs n HIS 112 Ca 0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.48 2yrs n HIS 112 Cb 0.32 -0.18 -0.05 0.00 -0.00 0.00 0.00 29.99 30.08 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 -1.90 4.52 -0.11 2.41 4.77 0.17 -4.93 117.00 121.94 2yrs n LEU 113 Ca -0.04 -5.53 -0.07 0.00 -0.03 0.00 0.00 56.01 50.34 2yrs n LEU 113 Cb 0.36 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 2yrs n LEU 113 CO 0.11 2.16 0.66 1.55 -1.33 0.00 0.00 177.39 180.55 2yrs h PRO 114 N 3.77 -0.21 -0.35 3.23 0.13 -1.81 -1.34 132.00 135.41 2yrs h PRO 114 Ca 0.19 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 2yrs h PRO 114 Cb 0.57 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2yrs h PRO 114 CO 0.89 -0.14 0.11 0.00 -0.23 0.00 0.00 178.00 178.63 2yrs h ALA 115 N 0.87 0.46 0.00 -0.56 0.00 -1.93 -3.17 119.26 114.93 2yrs h ALA 115 Ca 0.18 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2yrs h ALA 115 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2yrs h ALA 115 CO -0.51 0.11 -0.28 1.05 0.00 0.00 0.00 179.25 179.62 2yrs h GLU 116 N 0.42 0.00 -4.50 0.00 9.09 -1.92 -3.41 114.58 114.26 2yrs h GLU 116 Ca 0.11 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 58.81 2yrs h GLU 116 Cb 0.26 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.27 2yrs h GLU 116 CO -0.00 0.28 2.48 0.34 0.05 0.00 0.00 179.01 182.15 2yrs n PHE 117 N -3.25 3.90 -3.33 2.06 7.35 -0.52 -4.74 117.46 118.92 2yrs n PHE 117 Ca 0.02 -2.95 -0.27 0.00 -0.76 0.00 0.00 57.45 53.49 2yrs n PHE 117 Cb 0.56 -2.43 -0.02 0.00 0.35 0.00 0.00 39.48 37.94 2yrs n PHE 117 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2yrs s THR 118 N 2.77 5.06 0.32 -2.13 -1.32 -1.26 -4.76 115.64 114.31 2yrs s THR 118 Ca 0.47 -0.14 0.09 0.00 -1.21 0.00 0.00 61.69 60.90 2yrs s THR 118 Cb 0.09 -3.79 0.31 0.00 -1.51 0.00 0.00 72.50 67.60 2yrs s THR 118 CO -0.02 -0.43 1.73 -0.65 -2.21 0.00 0.00 174.62 173.04 2yrs h PRO 119 N 1.29 0.56 -0.38 7.08 0.11 -1.99 0.31 132.00 138.98 2yrs h PRO 119 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 2yrs h PRO 119 Cb 1.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2yrs h PRO 119 CO 0.64 0.37 -0.14 0.00 -0.21 0.00 0.00 178.00 178.66 2yrs h ALA 120 N 1.73 1.05 0.16 -0.75 0.00 -1.95 -2.03 119.26 117.47 2yrs h ALA 120 Ca 0.63 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 2yrs h ALA 120 Cb 1.20 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.85 2yrs h ALA 120 CO -0.48 0.58 -0.96 0.28 0.00 0.00 0.00 179.25 178.67 2yrs h VAL 121 N 0.61 1.45 -0.92 0.00 2.07 -1.47 -2.49 116.25 115.50 2yrs h VAL 121 Ca 0.10 -2.56 0.09 0.00 0.82 0.00 0.00 66.70 65.15 2yrs h VAL 121 Cb 0.59 3.15 -0.11 0.00 -1.52 0.00 0.00 31.29 33.40 2yrs h VAL 121 CO 0.04 0.73 -0.53 1.57 0.02 0.00 0.00 177.57 179.40 2yrs n HIS 122 N -4.05 -0.37 -0.24 1.57 -0.00 0.97 -0.72 115.22 112.38 2yrs n HIS 122 Ca -0.15 1.15 -0.02 0.00 -0.00 0.00 0.00 57.72 58.70 2yrs n HIS 122 Cb 0.88 -0.60 0.10 0.00 -0.00 0.00 0.00 29.99 30.36 2yrs n HIS 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yrs h ALA 123 N 0.53 0.92 -0.12 1.57 0.00 -1.36 0.11 119.26 120.92 2yrs h ALA 123 Ca 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2yrs h ALA 123 Cb 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2yrs h ALA 123 CO -0.87 0.10 -0.08 0.77 0.00 0.00 0.00 179.25 179.17 2yrs h SER 124 N 0.75 0.28 -0.22 0.00 0.02 -0.93 0.52 113.55 113.96 2yrs h SER 124 Ca 0.30 -0.45 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2yrs h SER 124 Cb 0.15 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2yrs h SER 124 CO -0.16 0.67 0.03 -0.07 -1.14 0.00 0.00 176.83 176.16 2yrs h LEU 125 N -0.11 -0.01 -0.49 5.07 3.38 -0.76 0.12 115.31 122.50 2yrs h LEU 125 Ca 0.02 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2yrs h LEU 125 Cb 0.57 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2yrs h LEU 125 CO 0.02 0.03 0.17 -0.78 0.09 0.00 0.00 178.44 177.97 2yrs h ASP 126 N 0.12 0.17 -0.35 -0.43 3.58 -0.63 0.23 116.42 119.11 2yrs h ASP 126 Ca 0.10 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2yrs h ASP 126 Cb 0.11 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2yrs h ASP 126 CO -0.14 0.13 0.19 0.11 -2.88 0.00 0.00 179.24 176.64 2yrs h LYS 127 N 0.35 0.53 -0.07 0.28 1.57 -0.33 -1.71 116.57 117.19 2yrs h LYS 127 Ca 0.24 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2yrs h LYS 127 Cb 0.25 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2yrs h LYS 127 CO -0.24 0.42 -0.06 0.35 -0.57 0.00 0.00 179.45 179.34 2yrs h PHE 128 N 0.54 0.20 -0.28 -1.35 3.57 0.80 0.98 116.94 121.40 2yrs h PHE 128 Ca 0.14 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2yrs h PHE 128 Cb 0.05 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2yrs h PHE 128 CO 0.00 0.58 0.08 -0.07 -2.23 0.00 0.00 178.31 176.68 2yrs h LEU 129 N -0.25 0.35 -0.49 0.59 3.38 -0.45 -0.16 115.31 118.28 2yrs h LEU 129 Ca 0.01 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2yrs h LEU 129 Cb 0.54 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2yrs h LEU 129 CO 0.02 0.35 -0.12 0.00 0.09 0.00 0.00 178.44 178.78 2yrs h ALA 130 N 1.71 0.68 -0.57 1.53 0.00 -0.76 -0.16 119.26 121.68 2yrs h ALA 130 Ca 0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2yrs h ALA 130 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2yrs h ALA 130 CO -0.01 0.59 0.05 0.77 0.00 0.00 0.00 179.25 180.66 2yrs h SER 131 N 0.80 0.95 0.81 0.00 0.02 -0.21 -1.18 113.55 114.74 2yrs h SER 131 Ca 0.12 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 2yrs h SER 131 Cb 0.68 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.97 2yrs h SER 131 CO 0.05 0.99 -0.39 0.58 -1.14 0.00 0.00 176.83 176.92 2yrs h VAL 132 N 0.87 0.19 -0.93 2.27 2.07 -0.82 -1.36 116.25 118.53 2yrs h VAL 132 Ca 0.17 -0.03 0.24 0.00 0.82 0.00 0.00 66.70 67.90 2yrs h VAL 132 Cb 0.48 0.19 -0.18 0.00 -1.52 0.00 0.00 31.29 30.27 2yrs h VAL 132 CO 0.02 0.00 -0.04 -1.20 0.02 0.00 0.00 177.57 176.37 2yrs n SER 133 N -5.55 -0.16 0.14 0.57 7.64 -0.09 -0.40 113.62 115.76 2yrs n SER 133 Ca -0.15 1.59 -0.01 0.00 1.01 0.00 0.00 58.87 61.31 2yrs n SER 133 Cb 0.44 -0.56 0.19 0.00 -1.01 0.00 0.00 64.21 63.27 2yrs n SER 133 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2yrs h THR 134 N 0.00 1.41 0.02 0.44 2.02 -0.77 -2.29 112.91 113.73 2yrs h THR 134 Ca 0.54 -1.98 -0.15 0.00 0.77 0.00 0.00 66.41 65.59 2yrs h THR 134 Cb 1.05 2.06 0.01 0.00 -1.74 0.00 0.00 68.15 69.53 2yrs h THR 134 CO -0.90 0.57 -0.59 0.58 0.37 0.00 0.00 175.52 175.55 2yrs h VAL 135 N 0.02 1.45 0.00 3.16 2.07 0.40 -0.42 116.25 122.94 2yrs h VAL 135 Ca -0.01 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.39 2yrs h VAL 135 Cb 1.03 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2yrs h VAL 135 CO 0.08 0.61 0.00 -0.07 0.02 0.00 0.00 177.57 178.21 2yrs h LEU 136 N -0.18 0.00 -0.14 2.57 3.38 -0.72 -1.81 115.31 118.40 2yrs h LEU 136 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2yrs h LEU 136 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2yrs h LEU 136 CO 0.12 0.00 -0.12 1.07 0.09 0.00 0.00 178.44 179.60 2yrs n THR 137 N -2.44 0.00 -0.26 0.22 5.66 -0.88 -4.33 114.28 112.24 2yrs n THR 137 Ca -0.02 -0.44 0.19 0.00 -3.05 0.00 0.00 64.05 60.73 2yrs n THR 137 Cb 0.04 1.01 0.35 0.00 -1.55 0.00 0.00 70.33 70.18 2yrs n THR 137 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2yrs n SER 138 N -0.91 0.10 -0.56 1.09 2.88 -0.18 -2.59 113.62 113.44 2yrs n SER 138 Ca 0.01 1.32 0.06 0.00 -1.33 0.00 0.00 58.87 58.93 2yrs n SER 138 Cb 0.05 -0.56 0.16 0.00 -0.75 0.00 0.00 64.21 63.10 2yrs n SER 138 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2yrs n LYS 139 N -4.94 2.75 0.18 -1.46 5.02 -1.26 -4.63 118.16 113.83 2yrs n LYS 139 Ca 0.24 -2.26 0.14 0.00 -2.02 0.00 0.00 58.31 54.41 2yrs n LYS 139 Cb 0.82 -1.43 0.71 0.00 -0.02 0.00 0.00 35.03 35.11 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 1.44 0.00 0.00 2.13 -1.99 -1.82 -3.46 116.97 113.27 2yrs h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2yrs h TYR 140 Cb 0.94 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.67 2yrs h TYR 140 CO 0.25 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 181.30