#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 4.28 0.72 7.52 1.43 -1.26 -4.99 118.68 126.38 2yrs s LEU 2 Ca 0.00 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 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 -0.87 1.09 -0.94 0.23 0.00 0.00 176.35 175.86 2yrs s SER 3 N 2.85 5.30 0.12 2.29 1.04 -1.26 -4.91 113.70 119.14 2yrs s SER 3 Ca 0.68 1.23 -0.23 0.00 0.48 0.00 0.00 55.95 58.11 2yrs s SER 3 Cb -0.30 -2.04 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 2yrs s SER 3 CO 0.25 -1.44 1.68 -0.65 0.98 0.00 0.00 173.24 174.06 2yrs h PRO 4 N -0.72 -0.18 -0.38 4.02 0.11 -2.00 -0.82 132.00 132.02 2yrs h PRO 4 Ca -0.45 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.73 2yrs h PRO 4 Cb 1.25 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 2yrs h PRO 4 CO 0.62 -0.12 -0.14 0.00 -0.21 0.00 0.00 178.00 178.15 2yrs n ALA 5 N -2.47 -0.03 -0.13 -0.75 0.00 -1.26 -1.03 120.51 114.83 2yrs n ALA 5 Ca -0.04 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 2yrs n ALA 5 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 2yrs n ALA 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2yrs h ASP 6 N 0.00 0.90 -0.54 0.00 3.32 -1.52 -0.46 116.42 118.12 2yrs h ASP 6 Ca 0.14 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 2yrs h ASP 6 Cb 0.23 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2yrs h ASP 6 CO -0.38 1.13 0.16 0.11 -1.72 0.00 0.00 179.24 178.54 2yrs h LYS 7 N 0.67 0.84 -0.15 3.56 1.57 -0.60 0.23 116.57 122.69 2yrs h LYS 7 Ca 0.08 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2yrs h LYS 7 Cb 0.82 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2yrs h LYS 7 CO 0.07 0.77 -0.00 1.15 -0.57 0.00 0.00 179.45 180.87 2yrs h THR 8 N 0.75 0.90 -0.67 -0.16 2.02 -1.12 0.79 112.91 115.42 2yrs h THR 8 Ca 0.17 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.45 2yrs h THR 8 Cb 0.29 0.85 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 2yrs h THR 8 CO -0.00 0.01 0.25 0.78 0.37 0.00 0.00 175.52 176.93 2yrs h ASN 9 N 0.05 0.24 0.01 4.18 2.35 -0.67 -1.00 115.58 120.74 2yrs h ASN 9 Ca 0.07 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2yrs h ASN 9 Cb 0.08 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2yrs h ASN 9 CO -0.12 0.12 -0.01 0.58 -1.65 0.00 0.00 177.43 176.36 2yrs h VAL 10 N 0.42 1.46 -0.85 2.81 2.07 0.64 -1.66 116.25 121.14 2yrs h VAL 10 Ca 0.35 -1.45 0.14 0.00 0.82 0.00 0.00 66.70 66.56 2yrs h VAL 10 Cb 0.47 2.43 -0.09 0.00 -1.52 0.00 0.00 31.29 32.58 2yrs h VAL 10 CO -0.35 0.37 0.45 0.11 0.02 0.00 0.00 177.57 178.17 2yrs h LYS 11 N -0.64 0.64 0.04 1.57 1.57 0.61 0.32 116.57 120.68 2yrs h LYS 11 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2yrs h LYS 11 Cb 0.62 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2yrs h LYS 11 CO 0.00 0.42 -0.02 0.00 -0.57 0.00 0.00 179.45 179.28 2yrs h ALA 12 N 1.55 -0.05 -0.36 3.86 0.00 -1.12 0.47 119.26 123.60 2yrs h ALA 12 Ca 0.46 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2yrs h ALA 12 Cb 0.62 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2yrs h ALA 12 CO -0.35 -0.28 0.01 0.00 0.00 0.00 0.00 179.25 178.64 2yrs h ALA 13 N 0.36 1.36 0.07 0.00 0.00 -1.14 -1.56 119.26 118.34 2yrs h ALA 13 Ca -0.01 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 2yrs h ALA 13 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2yrs h ALA 13 CO 0.01 0.45 -1.14 2.35 0.00 0.00 0.00 179.25 180.91 2yrs h TRP 14 N 0.53 0.25 -0.28 0.00 2.91 -0.22 -2.84 115.95 116.29 2yrs h TRP 14 Ca 0.12 -0.18 0.07 0.00 1.13 0.00 0.00 58.89 60.02 2yrs h TRP 14 Cb 0.32 -0.01 -0.08 0.00 -0.51 0.00 0.00 29.16 28.89 2yrs h TRP 14 CO 0.01 1.15 -0.30 0.78 -1.03 0.00 0.00 178.44 179.05 2yrs h GLY 15 N 2.29 -0.26 1.27 2.65 0.00 0.27 -2.67 103.07 106.61 2yrs h GLY 15 Ca -0.08 0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.67 2yrs h GLY 15 CO 0.17 -0.21 0.38 1.70 0.00 0.00 0.00 176.54 178.57 2yrs h LYS 16 N -0.29 0.57 0.12 4.80 3.11 -1.28 -2.90 116.57 120.70 2yrs h LYS 16 Ca 0.14 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 2yrs h LYS 16 Cb 0.52 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 2yrs h LYS 16 CO -0.44 0.38 -0.06 0.28 -2.81 0.00 0.00 179.45 176.79 2yrs h VAL 17 N 0.59 0.00 0.00 2.00 2.07 -1.27 -3.45 116.25 116.18 2yrs h VAL 17 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2yrs h VAL 17 Cb 0.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2yrs h VAL 17 CO -0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.13 2yrs n GLY 18 N -1.08 1.12 0.05 2.17 0.00 -1.03 -2.99 105.19 103.42 2yrs n GLY 18 Ca -0.02 0.48 0.13 0.00 0.00 0.00 0.00 46.02 46.61 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 9.42 2.59 1.01 4.61 0.00 -1.26 -2.50 120.51 134.38 2yrs n ALA 19 Ca 0.00 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.43 2yrs n ALA 19 Cb 0.00 -1.37 0.25 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.86 0.11 -0.39 0.00 8.25 -1.16 -4.50 115.22 115.67 2yrs n HIS 20 Ca 0.06 -0.06 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2yrs n HIS 20 Cb 0.39 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 2yrs n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yrs n ALA 21 N 1.01 -0.44 0.20 -1.41 0.00 -1.04 -0.41 120.51 118.42 2yrs n ALA 21 Ca 0.16 0.87 0.05 0.00 0.00 0.00 0.00 53.44 54.52 2yrs n ALA 21 Cb 0.52 -0.24 0.43 0.00 0.00 0.00 0.00 19.45 20.16 2yrs n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2yrs h GLY 22 N 0.00 0.00 0.70 0.00 0.00 -1.84 0.58 103.07 102.51 2yrs h GLY 22 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 2yrs h GLY 22 CO -0.92 0.00 -0.18 -2.09 0.00 0.00 0.00 176.54 173.35 2yrs h GLU 23 N 0.00 0.32 -0.34 4.80 4.81 -1.39 -1.90 114.58 120.88 2yrs h GLU 23 Ca -0.00 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2yrs h GLU 23 Cb 0.61 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2yrs h GLU 23 CO 0.04 0.77 0.19 1.88 -0.73 0.00 0.00 179.01 181.16 2yrs h TYR 24 N -0.10 0.46 -0.75 0.92 0.05 -0.11 -1.44 116.97 116.00 2yrs h TYR 24 Ca 0.01 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 58.95 2yrs h TYR 24 Cb 0.74 -0.15 -0.11 0.00 1.01 0.00 0.00 36.73 38.22 2yrs h TYR 24 CO 0.10 0.35 0.20 0.78 -1.05 0.00 0.00 178.16 178.54 2yrs h GLY 25 N 0.43 1.07 1.12 3.88 0.00 0.11 0.11 103.07 109.78 2yrs h GLY 25 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 2yrs h GLY 25 CO -0.02 -0.20 -0.28 0.00 0.00 0.00 0.00 176.54 176.04 2yrs h ALA 26 N 1.61 0.63 -0.24 3.60 0.00 -1.05 -2.59 119.26 121.23 2yrs h ALA 26 Ca 0.43 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2yrs h ALA 26 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yrs h ALA 26 CO -0.51 0.67 -0.60 1.49 0.00 0.00 0.00 179.25 180.31 2yrs h GLU 27 N 0.82 0.82 -0.55 0.00 4.81 -0.61 -2.32 114.58 117.56 2yrs h GLU 27 Ca 0.09 -0.57 0.09 0.00 -0.13 0.00 0.00 59.36 58.85 2yrs h GLU 27 Cb 0.87 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 2yrs h GLU 27 CO 0.08 1.19 0.14 0.00 -0.73 0.00 0.00 179.01 179.69 2yrs h ALA 28 N 0.63 0.66 -0.54 2.92 0.00 -0.80 0.39 119.26 122.51 2yrs h ALA 28 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2yrs h ALA 28 Cb 1.21 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2yrs h ALA 28 CO 0.13 -0.28 0.24 -0.07 0.00 0.00 0.00 179.25 179.27 2yrs h LEU 29 N 0.29 0.73 -0.31 0.00 3.38 -1.44 0.31 115.31 118.27 2yrs h LEU 29 Ca 0.28 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 2yrs h LEU 29 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2yrs h LEU 29 CO -0.34 0.68 -0.86 1.05 0.09 0.00 0.00 178.44 179.06 2yrs h GLU 30 N 0.73 0.11 -0.61 1.13 4.11 -0.76 0.06 114.58 119.35 2yrs h GLU 30 Ca 0.18 -0.12 0.04 0.00 0.07 0.00 0.00 59.36 59.53 2yrs h GLU 30 Cb 0.16 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2yrs h GLU 30 CO -0.02 0.90 0.35 0.00 0.07 0.00 0.00 179.01 180.31 2yrs h ARG 31 N 0.06 0.66 0.11 1.06 3.08 -0.15 -2.27 114.38 116.91 2yrs h ARG 31 Ca -0.03 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2yrs h ARG 31 Cb 1.49 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 2yrs h ARG 31 CO 0.12 0.44 -0.23 1.98 -1.07 0.00 0.00 179.97 181.21 2yrs h MET 32 N 0.68 -0.40 -0.56 0.04 4.05 0.08 -0.82 114.93 118.00 2yrs h MET 32 Ca 0.26 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.69 2yrs h MET 32 Cb 0.09 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 2yrs h MET 32 CO -0.13 -0.27 0.31 0.74 0.23 0.00 0.00 176.91 177.79 2yrs h PHE 33 N -0.42 0.74 0.15 1.39 0.04 -0.89 0.17 116.94 118.12 2yrs h PHE 33 Ca 0.03 -0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.52 2yrs h PHE 33 Cb 0.44 -0.24 0.03 0.00 2.20 0.00 0.00 35.95 38.38 2yrs h PHE 33 CO -0.22 0.51 -1.17 -0.07 -0.60 0.00 0.00 178.31 176.77 2yrs h LEU 34 N 0.77 0.77 -0.40 1.54 3.38 -1.39 -3.18 115.31 116.80 2yrs h LEU 34 Ca 0.20 -0.86 -0.18 0.00 0.09 0.00 0.00 57.88 57.13 2yrs h LEU 34 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2yrs h LEU 34 CO -0.03 1.57 -0.61 0.28 0.09 0.00 0.00 178.44 179.73 2yrs h SER 35 N 0.09 0.73 -2.46 -0.43 0.02 -0.99 -3.40 113.55 107.10 2yrs h SER 35 Ca -0.19 -0.41 -0.59 0.00 -0.84 0.00 0.00 61.79 59.76 2yrs h SER 35 Cb 1.88 -0.21 -0.39 0.00 0.14 0.00 0.00 62.40 63.81 2yrs h SER 35 CO 0.22 1.16 -0.88 0.49 -1.14 0.00 0.00 176.83 176.68 2yrs n PHE 36 N -3.95 0.41 -0.21 3.45 3.72 0.59 -5.00 117.46 116.47 2yrs n PHE 36 Ca -0.04 -3.63 0.01 0.00 -0.05 0.00 0.00 57.45 53.74 2yrs n PHE 36 Cb 0.65 -0.09 0.12 0.00 -0.94 0.00 0.00 39.48 39.22 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 5.23 0.38 -0.55 -1.08 0.11 -1.73 -0.35 132.00 134.01 2yrs h PRO 37 Ca 0.21 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.51 2yrs h PRO 37 Cb 0.85 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.80 2yrs h PRO 37 CO 0.49 0.25 0.32 2.41 -0.21 0.00 0.00 178.00 181.27 2yrs n THR 38 N -5.02 -0.17 0.26 -1.15 -1.04 -1.26 0.05 114.28 105.95 2yrs n THR 38 Ca 0.09 0.93 0.13 0.00 -2.04 0.00 0.00 64.05 63.17 2yrs n THR 38 Cb 0.30 -1.52 0.70 0.00 -1.82 0.00 0.00 70.33 67.98 2yrs n THR 38 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2yrs h THR 39 N 0.00 0.46 -0.54 12.58 1.35 -1.38 -2.93 112.91 122.45 2yrs h THR 39 Ca 0.41 -0.63 0.06 0.00 -0.55 0.00 0.00 66.41 65.70 2yrs h THR 39 Cb 1.19 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 2yrs h THR 39 CO -0.31 0.12 0.36 0.11 -0.25 0.00 0.00 175.52 175.55 2yrs h LYS 40 N 0.00 0.49 -0.64 4.72 1.57 -0.58 -2.48 116.57 119.65 2yrs h LYS 40 Ca -0.00 -0.03 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 2yrs h LYS 40 Cb 0.42 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 2yrs h LYS 40 CO 0.02 0.32 0.63 1.79 -0.57 0.00 0.00 179.45 181.64 2yrs h THR 41 N 0.51 0.34 -0.01 -0.16 1.35 -1.67 1.66 112.91 114.92 2yrs h THR 41 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 2yrs h THR 41 Cb 0.28 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2yrs h THR 41 CO -0.06 0.00 -0.07 -1.22 -0.25 0.00 0.00 175.52 173.91 2yrs n TYR 42 N -3.75 0.00 -2.84 4.73 4.01 -0.93 -4.28 117.16 114.10 2yrs n TYR 42 Ca 0.13 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.64 2yrs n TYR 42 Cb 0.86 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.81 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 -0.42 2.65 0.90 -0.72 3.01 0.57 -4.88 117.46 118.56 2yrs n PHE 43 Ca 0.17 -3.56 0.13 0.00 1.01 0.00 0.00 57.45 55.20 2yrs n PHE 43 Cb 0.30 -0.35 0.56 0.00 -0.01 0.00 0.00 39.48 39.97 2yrs n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2yrs n PRO 44 N -0.17 0.02 0.00 -1.08 -0.04 -1.24 -2.66 135.00 129.83 2yrs n PRO 44 Ca 0.29 0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 2yrs n PRO 44 Cb 0.58 -1.53 0.07 0.00 -0.04 0.00 0.00 33.50 32.57 2yrs n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2yrs n HIS 45 N -1.57 0.00 -3.38 0.54 1.44 -1.26 -4.89 115.22 106.09 2yrs n HIS 45 Ca 0.06 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.40 2yrs n HIS 45 Cb 0.32 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.37 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 -1.62 3.70 -0.10 -1.40 0.40 -1.09 -5.04 117.98 112.83 2yrs s PHE 46 Ca 0.21 1.09 -0.30 0.00 -0.60 0.00 0.00 56.93 57.33 2yrs s PHE 46 Cb 0.15 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 2yrs s PHE 46 CO 0.26 0.54 1.34 0.34 0.70 0.00 0.00 175.22 178.40 2yrs s ASP 47 N -1.37 6.90 0.00 1.36 2.15 -1.26 -4.92 116.67 119.53 2yrs s ASP 47 Ca 0.31 1.87 0.18 0.00 0.43 0.00 0.00 52.55 55.34 2yrs s ASP 47 Cb -0.17 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.25 2yrs s ASP 47 CO 0.18 -0.75 1.26 0.18 -0.17 0.00 0.00 175.17 175.87 2yrs n LEU 48 N 6.26 3.06 -4.56 -1.34 4.77 -1.26 -4.68 117.00 119.24 2yrs n LEU 48 Ca 0.14 -1.56 -0.36 0.00 -0.03 0.00 0.00 56.01 54.20 2yrs n LEU 48 Cb 0.45 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2yrs n LEU 48 CO 0.57 0.68 0.37 -1.54 -1.33 0.00 0.00 177.39 176.15 2yrs n SER 49 N 1.09 -0.07 -4.70 -1.43 3.41 -1.26 -4.92 113.62 105.73 2yrs n SER 49 Ca 0.15 0.65 -0.40 0.00 -0.26 0.00 0.00 58.87 59.02 2yrs n SER 49 Cb 0.50 -1.34 0.03 0.00 -0.26 0.00 0.00 64.21 63.14 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 -2.41 2.01 -1.60 7.33 -0.00 -1.26 -2.95 115.22 116.35 2yrs n HIS 50 Ca 0.12 0.47 -0.13 0.00 0.46 0.00 0.00 57.72 58.64 2yrs n HIS 50 Cb 0.49 -2.34 -0.04 0.00 -0.12 0.00 0.00 29.99 27.98 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 0.86 0.94 3.79 1.57 0.00 -1.26 -5.00 105.19 106.09 2yrs n GLY 51 Ca 0.09 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2yrs n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrs s SER 52 N -2.75 6.76 0.16 1.61 1.04 -1.15 -4.96 113.70 114.41 2yrs s SER 52 Ca 0.00 1.97 0.08 0.00 0.48 0.00 0.00 55.95 58.48 2yrs s SER 52 Cb 0.00 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 2yrs s SER 52 CO 0.00 -0.49 1.37 0.00 0.98 0.00 0.00 173.24 175.10 2yrs h ALA 53 N 2.34 0.51 -0.85 5.32 0.00 -1.92 -2.57 119.26 122.09 2yrs h ALA 53 Ca -0.48 -0.81 0.07 0.00 0.00 0.00 0.00 54.91 53.69 2yrs h ALA 53 Cb 1.21 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 2yrs h ALA 53 CO 0.62 1.11 0.51 0.37 0.00 0.00 0.00 179.25 181.86 2yrs h GLN 54 N 0.00 0.88 0.04 0.00 4.15 -1.93 0.78 115.11 119.04 2yrs h GLN 54 Ca -0.01 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 59.09 2yrs h GLN 54 Cb 1.59 -0.20 0.02 0.00 0.21 0.00 0.00 27.48 29.11 2yrs h GLN 54 CO 0.12 0.58 -1.07 0.28 -1.93 0.00 0.00 178.83 176.80 2yrs h VAL 55 N 0.91 1.29 -0.50 2.39 2.07 -1.82 0.17 116.25 120.77 2yrs h VAL 55 Ca 0.38 -2.31 -0.11 0.00 0.82 0.00 0.00 66.70 65.49 2yrs h VAL 55 Cb 0.24 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 2yrs h VAL 55 CO -0.20 0.71 -0.12 0.11 0.02 0.00 0.00 177.57 178.09 2yrs h LYS 56 N 0.30 0.93 0.58 1.57 1.57 -1.26 1.44 116.57 121.70 2yrs h LYS 56 Ca -0.15 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 2yrs h LYS 56 Cb 1.74 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.99 2yrs h LYS 56 CO 0.21 0.99 -0.32 0.78 -0.57 0.00 0.00 179.45 180.55 2yrs h GLY 57 N 0.95 -0.94 -0.05 3.86 0.00 0.68 -0.90 103.07 106.68 2yrs h GLY 57 Ca 0.13 0.37 0.18 0.00 0.00 0.00 0.00 47.33 48.01 2yrs h GLY 57 CO 0.05 -0.33 0.32 0.84 0.00 0.00 0.00 176.54 177.42 2yrs h HIS 58 N -0.83 0.54 -0.75 5.60 -0.00 -0.62 -1.83 115.15 117.26 2yrs h HIS 58 Ca -0.08 0.04 0.15 0.00 -0.00 0.00 0.00 60.37 60.48 2yrs h HIS 58 Cb 0.65 -0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 27.85 2yrs h HIS 58 CO 0.03 -0.01 0.28 0.78 -0.00 0.00 0.00 177.93 179.01 2yrs h GLY 59 N 0.40 1.12 0.84 5.26 0.00 0.22 -0.35 103.07 110.56 2yrs h GLY 59 Ca 0.48 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 2yrs h GLY 59 CO -0.48 -0.12 -0.12 1.70 0.00 0.00 0.00 176.54 177.52 2yrs h LYS 60 N 0.40 0.49 -0.65 4.80 3.64 -0.35 -0.72 116.57 124.19 2yrs h LYS 60 Ca 0.42 -0.22 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 2yrs h LYS 60 Cb 0.65 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 2yrs h LYS 60 CO -0.43 0.76 0.36 0.87 -2.27 0.00 0.00 179.45 178.75 2yrs h LYS 61 N 0.21 0.66 -0.18 1.90 1.57 -0.85 0.16 116.57 120.04 2yrs h LYS 61 Ca 0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2yrs h LYS 61 Cb 0.62 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2yrs h LYS 61 CO 0.03 0.44 0.10 0.28 -0.57 0.00 0.00 179.45 179.74 2yrs h VAL 62 N 0.68 1.10 -1.01 0.50 2.07 -0.98 0.28 116.25 118.89 2yrs h VAL 62 Ca 0.28 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2yrs h VAL 62 Cb 0.15 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2yrs h VAL 62 CO -0.16 0.09 0.67 0.00 0.02 0.00 0.00 177.57 178.18 2yrs h ALA 63 N 1.00 1.31 -0.47 1.67 0.00 -0.69 -0.91 119.26 121.17 2yrs h ALA 63 Ca 0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2yrs h ALA 63 Cb 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2yrs h ALA 63 CO -0.01 0.61 -0.11 -0.44 0.00 0.00 0.00 179.25 179.31 2yrs h ASP 64 N 1.32 0.91 -0.62 0.00 3.32 -0.41 0.15 116.42 121.10 2yrs h ASP 64 Ca 0.39 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 57.13 2yrs h ASP 64 Cb -0.08 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.17 2yrs h ASP 64 CO -0.10 1.06 0.34 0.00 -1.72 0.00 0.00 179.24 178.82 2yrs h ALA 65 N 0.88 0.81 -0.74 3.45 0.00 -0.33 0.24 119.26 123.57 2yrs h ALA 65 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2yrs h ALA 65 Cb 0.66 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2yrs h ALA 65 CO 0.05 0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.48 2yrs h LEU 66 N 0.65 1.08 -0.32 0.00 -0.00 -0.87 0.28 115.31 116.13 2yrs h LEU 66 Ca 0.27 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.88 57.87 2yrs h LEU 66 Cb 0.14 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 2yrs h LEU 66 CO -0.16 1.01 -0.08 0.74 -0.00 0.00 0.00 178.44 179.95 2yrs h THR 67 N 1.10 1.28 -0.56 0.22 2.02 -0.37 0.22 112.91 116.82 2yrs h THR 67 Ca 0.24 -1.12 0.07 0.00 0.77 0.00 0.00 66.41 66.36 2yrs h THR 67 Cb 0.31 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 2yrs h THR 67 CO -0.01 0.36 0.24 -1.13 0.37 0.00 0.00 175.52 175.36 2yrs h ASN 68 N 0.40 0.30 -0.68 4.18 -1.24 -0.26 -1.79 115.58 116.49 2yrs h ASN 68 Ca 0.08 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.18 2yrs h ASN 68 Cb 0.57 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.59 2yrs h ASN 68 CO 0.03 0.20 0.45 0.00 -1.29 0.00 0.00 177.43 176.82 2yrs h ALA 69 N 1.34 1.61 -0.31 1.57 0.00 0.07 -1.39 119.26 122.15 2yrs h ALA 69 Ca 0.26 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2yrs h ALA 69 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2yrs h ALA 69 CO -0.23 0.32 -0.20 0.28 0.00 0.00 0.00 179.25 179.43 2yrs h VAL 70 N 0.83 1.29 -0.59 0.00 2.07 0.01 -1.36 116.25 118.50 2yrs h VAL 70 Ca 0.27 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 2yrs h VAL 70 Cb 0.06 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2yrs h VAL 70 CO -0.08 0.43 -0.01 0.00 0.02 0.00 0.00 177.57 177.94 2yrs h ALA 71 N 0.75 0.80 -1.03 1.67 0.00 -1.15 -2.45 119.26 117.85 2yrs h ALA 71 Ca 0.06 -0.31 -0.73 0.00 0.00 0.00 0.00 54.91 53.93 2yrs h ALA 71 Cb 0.74 -0.22 -0.29 0.00 0.00 0.00 0.00 17.79 18.03 2yrs h ALA 71 CO 0.06 0.65 0.84 0.72 0.00 0.00 0.00 179.25 181.51 2yrs n HIS 72 N -4.19 3.07 -0.26 0.00 8.25 -0.54 -4.73 115.22 116.82 2yrs n HIS 72 Ca 0.03 -2.55 0.08 0.00 -0.26 0.00 0.00 57.72 55.03 2yrs n HIS 72 Cb 0.35 -1.15 0.33 0.00 1.12 0.00 0.00 29.99 30.65 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 1.81 0.94 0.00 1.59 3.04 -0.74 -1.43 116.25 121.47 2yrs h VAL 73 Ca 0.55 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 2yrs h VAL 73 Cb 0.31 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 2yrs h VAL 73 CO 1.42 0.15 0.00 0.47 -1.01 0.00 0.00 177.57 178.59 2yrs n ASP 74 N -4.52 0.00 -2.04 3.17 8.00 -1.26 -3.55 116.55 116.35 2yrs n ASP 74 Ca 0.15 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2yrs n ASP 74 Cb 0.34 -0.42 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.42 0.64 -0.30 -2.24 2.03 -0.79 -4.95 116.55 109.52 2yrs n ASP 75 Ca 0.08 -2.03 0.08 0.00 0.52 0.00 0.00 54.79 53.43 2yrs n ASP 75 Cb 0.25 -0.16 0.19 0.00 -0.72 0.00 0.00 41.12 40.68 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 1.43 0.05 -0.68 -0.67 2.86 -1.34 -2.06 114.93 114.52 2yrs h MET 76 Ca -0.27 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.51 2yrs h MET 76 Cb 1.54 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 33.07 2yrs h MET 76 CO 0.04 0.04 -0.03 -1.35 1.06 0.00 0.00 176.91 176.66 2yrs h PRO 77 N 0.05 0.08 0.02 -0.22 0.11 -1.92 0.23 132.00 130.36 2yrs h PRO 77 Ca 0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.57 2yrs h PRO 77 Cb 0.85 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2yrs h PRO 77 CO -0.80 0.06 -0.01 -0.91 -0.21 0.00 0.00 178.00 176.13 2yrs h ASN 78 N 0.09 -0.02 -0.20 -2.05 -0.26 -1.80 -0.33 115.58 111.00 2yrs h ASN 78 Ca 0.36 -0.52 0.06 0.00 -0.56 0.00 0.00 56.30 55.63 2yrs h ASN 78 Cb 0.59 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 2yrs h ASN 78 CO -0.61 0.52 0.25 0.00 -1.06 0.00 0.00 177.43 176.53 2yrs h ALA 79 N 0.37 1.78 -0.01 -0.83 0.00 -1.11 -2.25 119.26 117.21 2yrs h ALA 79 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yrs h ALA 79 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2yrs h ALA 79 CO 0.00 -0.36 -0.13 1.28 0.00 0.00 0.00 179.25 180.05 2yrs n LEU 80 N -3.65 1.55 -0.32 0.00 4.77 0.77 -4.77 117.00 115.35 2yrs n LEU 80 Ca 0.02 -0.87 0.15 0.00 -0.03 0.00 0.00 56.01 55.28 2yrs n LEU 80 Cb 0.38 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.80 2yrs n LEU 80 CO 0.26 0.30 1.07 -1.28 -1.33 0.00 0.00 177.39 176.41 2yrs h SER 81 N 1.62 0.41 -0.49 -1.43 0.87 -0.41 0.29 113.55 114.41 2yrs h SER 81 Ca 0.00 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2yrs h SER 81 Cb 0.41 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 2yrs h SER 81 CO 0.00 0.02 0.08 0.00 -0.53 0.00 0.00 176.83 176.40 2yrs h ALA 82 N 1.72 1.11 -0.17 6.23 0.00 -1.86 -0.56 119.26 125.73 2yrs h ALA 82 Ca 0.58 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 2yrs h ALA 82 Cb 1.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2yrs h ALA 82 CO -0.52 0.58 -0.61 1.25 0.00 0.00 0.00 179.25 179.95 2yrs h LEU 83 N 0.83 0.67 -0.60 0.00 5.85 -0.84 -2.10 115.31 119.14 2yrs h LEU 83 Ca 0.17 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.36 2yrs h LEU 83 Cb 0.38 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2yrs h LEU 83 CO 0.01 1.12 -0.69 0.77 -0.34 0.00 0.00 178.44 179.31 2yrs h SER 84 N 0.44 0.10 -0.06 1.25 4.64 -0.76 -1.71 113.55 117.46 2yrs h SER 84 Ca -0.01 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2yrs h SER 84 Cb 1.18 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2yrs h SER 84 CO 0.12 0.76 0.04 0.44 -0.87 0.00 0.00 176.83 177.31 2yrs h ASP 85 N 0.06 0.07 -0.82 4.97 3.32 -1.09 -0.92 116.42 122.00 2yrs h ASP 85 Ca -0.01 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2yrs h ASP 85 Cb 1.22 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 2yrs h ASP 85 CO 0.10 0.09 0.38 0.25 -1.72 0.00 0.00 179.24 178.34 2yrs h LEU 86 N 0.04 1.10 -0.09 1.55 5.85 -1.13 0.22 115.31 122.85 2yrs h LEU 86 Ca 0.02 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2yrs h LEU 86 Cb 0.03 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 2yrs h LEU 86 CO -0.00 0.94 -0.11 0.45 -0.34 0.00 0.00 178.44 179.37 2yrs h HIS 87 N 1.19 0.28 -0.14 1.25 3.86 -1.30 0.77 115.15 121.05 2yrs h HIS 87 Ca 0.28 -0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.45 2yrs h HIS 87 Cb 0.15 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.51 2yrs h HIS 87 CO 0.02 0.68 -0.19 0.00 0.86 0.00 0.00 177.93 179.30 2yrs h ALA 88 N 0.55 -0.12 0.00 2.45 0.00 -0.97 0.23 119.26 121.40 2yrs h ALA 88 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2yrs h ALA 88 Cb 0.65 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2yrs h ALA 88 CO 0.03 -0.64 -1.65 0.72 0.00 0.00 0.00 179.25 177.71 2yrs n HIS 89 N -5.33 0.00 0.01 0.00 8.25 0.76 -4.50 115.22 114.40 2yrs n HIS 89 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2yrs n HIS 89 Cb 0.25 -0.34 -0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.00 0.04 -0.05 -0.41 3.00 -0.27 -4.91 118.16 113.57 2yrs n LYS 90 Ca -0.02 0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.17 2yrs n LYS 90 Cb 0.41 -0.30 -0.08 0.00 0.00 0.00 0.00 35.03 35.06 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 -0.07 0.30 -1.26 3.14 3.38 -0.98 -3.48 115.31 116.35 2yrs h LEU 91 Ca 0.00 -0.48 -0.40 0.00 0.09 0.00 0.00 57.88 57.09 2yrs h LEU 91 Cb 0.07 -0.08 0.09 0.00 0.09 0.00 0.00 40.66 40.83 2yrs h LEU 91 CO 0.00 0.72 -0.75 0.54 0.09 0.00 0.00 178.44 179.04 2yrs n ARG 92 N -4.62 -6.52 -1.95 1.13 3.00 0.79 -4.96 116.66 103.54 2yrs n ARG 92 Ca -0.07 0.74 -0.42 0.00 -0.01 0.00 0.00 57.85 58.10 2yrs n ARG 92 Cb 0.34 -5.66 -0.03 0.00 0.00 0.00 0.00 32.46 27.11 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 -3.39 2.84 0.20 1.55 1.01 -1.26 -4.95 120.40 116.40 2yrs s VAL 93 Ca 0.35 0.50 -0.32 0.00 0.00 0.00 0.00 61.98 62.51 2yrs s VAL 93 Cb -0.16 -3.32 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 2yrs s VAL 93 CO 0.77 0.02 1.25 -0.67 0.00 0.00 0.00 175.10 176.47 2yrs n ASP 94 N 4.62 1.87 -0.40 3.32 -0.08 -1.26 -4.87 116.55 119.75 2yrs n ASP 94 Ca 0.14 1.14 0.33 0.00 -1.51 0.00 0.00 54.79 54.89 2yrs n ASP 94 Cb 0.40 -1.30 0.61 0.00 2.34 0.00 0.00 41.12 43.16 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 3.62 0.17 -0.63 -0.67 0.11 -1.99 -2.04 132.00 130.56 2yrs h PRO 95 Ca -0.44 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.82 2yrs h PRO 95 Cb 1.32 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 2yrs h PRO 95 CO 0.72 0.11 0.44 0.28 -0.21 0.00 0.00 178.00 179.33 2yrs h VAL 96 N 0.17 0.75 0.00 3.15 2.07 -2.03 -2.58 116.25 117.78 2yrs h VAL 96 Ca 0.76 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 68.15 2yrs h VAL 96 Cb 2.25 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2yrs h VAL 96 CO -0.40 0.03 -0.32 0.78 0.02 0.00 0.00 177.57 177.68 2yrs h ASN 97 N 0.16 0.00 -0.15 0.57 4.21 -1.73 -2.50 115.58 116.15 2yrs h ASN 97 Ca 0.30 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.81 2yrs h ASN 97 Cb 0.97 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.16 2yrs h ASN 97 CO -0.05 0.32 0.10 -0.26 -1.29 0.00 0.00 177.43 176.25 2yrs h PHE 98 N 0.00 0.20 0.00 1.19 -1.00 -1.62 -1.54 116.94 114.17 2yrs h PHE 98 Ca -0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 2yrs h PHE 98 Cb 0.92 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.39 2yrs h PHE 98 CO 0.00 0.14 -0.89 1.57 -1.61 0.00 0.00 178.31 177.51 2yrs h LYS 99 N 0.22 0.01 -0.30 1.51 2.10 -1.58 -1.13 116.57 117.40 2yrs h LYS 99 Ca 0.06 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 2yrs h LYS 99 Cb -0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 2yrs h LYS 99 CO -0.01 0.90 0.16 -0.07 -2.00 0.00 0.00 179.45 178.42 2yrs h LEU 100 N 0.00 0.39 0.03 7.07 3.38 -1.33 -0.87 115.31 123.98 2yrs h LEU 100 Ca -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2yrs h LEU 100 Cb 1.58 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2yrs h LEU 100 CO 0.12 0.38 -0.02 0.25 0.09 0.00 0.00 178.44 179.27 2yrs h LEU 101 N 0.36 -0.04 -0.90 1.67 6.46 -1.27 -1.69 115.31 119.90 2yrs h LEU 101 Ca 0.11 -0.40 0.15 0.00 -0.12 0.00 0.00 57.88 57.62 2yrs h LEU 101 Cb 0.09 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 39.93 2yrs h LEU 101 CO -0.02 0.39 0.49 0.28 -0.62 0.00 0.00 178.44 178.97 2yrs h SER 102 N -0.47 0.62 -0.59 1.25 0.02 -1.18 0.49 113.55 113.70 2yrs h SER 102 Ca -0.00 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2yrs h SER 102 Cb 0.43 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2yrs h SER 102 CO 0.01 0.26 0.24 -0.74 -1.14 0.00 0.00 176.83 175.46 2yrs h HIS 103 N 0.69 0.88 -0.53 3.45 -0.00 -0.68 -1.89 115.15 117.07 2yrs h HIS 103 Ca 0.49 -0.06 -0.08 0.00 -0.00 0.00 0.00 60.37 60.71 2yrs h HIS 103 Cb 0.69 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 2yrs h HIS 103 CO -0.06 0.71 -0.01 0.00 -0.00 0.00 0.00 177.93 178.57 2yrs h LEU 105 N 0.84 -0.51 -0.68 0.00 4.07 0.11 -0.25 115.31 118.89 2yrs h LEU 105 Ca 0.16 0.17 -0.08 0.00 0.08 0.00 0.00 57.88 58.20 2yrs h LEU 105 Cb 0.51 0.34 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 2yrs h LEU 105 CO 0.03 -0.18 0.11 0.25 -1.08 0.00 0.00 178.44 177.57 2yrs h LEU 106 N -0.00 1.07 -0.32 1.67 5.85 -0.56 -0.89 115.31 122.13 2yrs h LEU 106 Ca 0.27 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2yrs h LEU 106 Cb 0.40 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2yrs h LEU 106 CO -0.57 1.06 -0.02 0.58 -0.34 0.00 0.00 178.44 179.15 2yrs h VAL 107 N 1.04 1.26 -0.51 1.05 2.07 -0.89 -0.33 116.25 119.94 2yrs h VAL 107 Ca 0.21 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.78 2yrs h VAL 107 Cb 0.44 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2yrs h VAL 107 CO 0.01 0.32 0.25 0.74 0.02 0.00 0.00 177.57 178.92 2yrs h THR 108 N 0.37 0.95 -0.06 2.57 2.02 -0.39 -0.71 112.91 117.66 2yrs h THR 108 Ca 0.09 -0.17 -0.19 0.00 0.77 0.00 0.00 66.41 66.91 2yrs h THR 108 Cb 0.47 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2yrs h THR 108 CO 0.02 0.09 -0.76 -0.07 0.37 0.00 0.00 175.52 175.17 2yrs h LEU 109 N 0.49 0.46 -0.67 2.58 4.07 -1.07 -2.33 115.31 118.83 2yrs h LEU 109 Ca 0.23 -0.31 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 2yrs h LEU 109 Cb 0.14 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 2yrs h LEU 109 CO -0.16 1.06 0.29 0.00 -1.08 0.00 0.00 178.44 178.55 2yrs h ALA 110 N 0.93 0.87 0.00 1.53 0.00 -0.64 0.69 119.26 122.63 2yrs h ALA 110 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2yrs h ALA 110 Cb 1.35 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2yrs h ALA 110 CO 0.13 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2yrs n ALA 111 N -2.38 1.67 -0.02 0.00 0.00 -0.31 -3.34 120.51 116.13 2yrs n ALA 111 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 2yrs n ALA 111 Cb 0.15 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.14 0.00 -3.32 0.00 -0.00 -0.92 -4.80 115.22 104.04 2yrs n HIS 112 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.45 2yrs n HIS 112 Cb 0.22 -0.16 -0.06 0.00 -0.00 0.00 0.00 29.99 29.99 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 -2.41 4.25 -0.04 2.41 4.77 0.24 -4.91 117.00 121.31 2yrs n LEU 113 Ca -0.07 -5.43 -0.11 0.00 -0.03 0.00 0.00 56.01 50.37 2yrs n LEU 113 Cb 0.59 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 2yrs n LEU 113 CO 0.05 2.03 0.80 -0.65 -1.33 0.00 0.00 177.39 178.30 2yrs h PRO 114 N 4.26 0.24 -0.01 3.23 0.11 -1.78 0.24 132.00 138.29 2yrs h PRO 114 Ca 0.20 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.10 2yrs h PRO 114 Cb 0.64 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 2yrs h PRO 114 CO 0.91 0.39 -0.68 0.00 -0.21 0.00 0.00 178.00 178.41 2yrs h ALA 115 N 0.84 0.83 0.00 -0.75 0.00 -1.91 -3.11 119.26 115.16 2yrs h ALA 115 Ca 0.05 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 2yrs h ALA 115 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2yrs h ALA 115 CO 0.00 0.83 -0.61 0.93 0.00 0.00 0.00 179.25 180.40 2yrs h GLU 116 N 0.05 0.00 -2.97 0.00 3.07 -1.89 -3.40 114.58 109.44 2yrs h GLU 116 Ca -0.01 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.26 2yrs h GLU 116 Cb 1.21 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.14 2yrs h GLU 116 CO 0.09 0.27 3.31 0.34 -1.40 0.00 0.00 179.01 181.63 2yrs n PHE 117 N -3.06 2.06 -1.81 4.33 7.35 0.05 -4.76 117.46 121.61 2yrs n PHE 117 Ca 0.00 -2.79 -0.33 0.00 -0.76 0.00 0.00 57.45 53.57 2yrs n PHE 117 Cb 0.68 -2.30 0.04 0.00 0.35 0.00 0.00 39.48 38.25 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 2.23 3.39 0.32 -2.13 2.01 -1.26 -4.73 115.64 115.46 2yrs s THR 118 Ca 0.65 0.64 0.09 0.00 0.31 0.00 0.00 61.69 63.38 2yrs s THR 118 Cb 0.18 -3.17 0.32 0.00 0.01 0.00 0.00 72.50 69.84 2yrs s THR 118 CO -0.05 -0.41 1.67 -0.65 -0.69 0.00 0.00 174.62 174.49 2yrs h PRO 119 N 0.09 0.33 -0.24 4.92 0.11 -1.99 0.17 132.00 135.38 2yrs h PRO 119 Ca -0.47 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 2yrs h PRO 119 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2yrs h PRO 119 CO 0.55 0.22 -0.41 0.00 -0.21 0.00 0.00 178.00 178.14 2yrs h ALA 120 N 1.79 0.82 0.11 -0.75 0.00 -1.96 -1.26 119.26 118.02 2yrs h ALA 120 Ca 0.64 -0.45 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 2yrs h ALA 120 Cb 1.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2yrs h ALA 120 CO -0.59 0.65 -1.21 0.28 0.00 0.00 0.00 179.25 178.37 2yrs h VAL 121 N 0.48 1.53 0.03 0.00 2.07 -1.54 -2.35 116.25 116.46 2yrs h VAL 121 Ca 0.04 -3.12 0.03 0.00 0.82 0.00 0.00 66.70 64.47 2yrs h VAL 121 Cb 0.92 2.93 -0.05 0.00 -1.52 0.00 0.00 31.29 33.57 2yrs h VAL 121 CO 0.08 0.91 -0.42 -0.74 0.02 0.00 0.00 177.57 177.42 2yrs h HIS 122 N 0.06 -1.19 -0.63 1.57 6.17 -0.52 0.29 115.15 120.90 2yrs h HIS 122 Ca -0.12 0.04 0.12 0.00 0.71 0.00 0.00 60.37 61.12 2yrs h HIS 122 Cb 1.94 0.52 -0.09 0.00 2.52 0.00 0.00 27.41 32.30 2yrs h HIS 122 CO 0.05 -0.50 0.17 0.00 0.71 0.00 0.00 177.93 178.36 2yrs h ALA 123 N -0.08 0.79 -0.06 5.26 0.00 -1.17 0.10 119.26 124.10 2yrs h ALA 123 Ca 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2yrs h ALA 123 Cb 0.66 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2yrs h ALA 123 CO -0.30 -0.27 -0.00 0.77 0.00 0.00 0.00 179.25 179.45 2yrs h SER 124 N 0.31 0.11 -0.41 0.00 0.02 -0.91 -0.29 113.55 112.38 2yrs h SER 124 Ca 0.33 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2yrs h SER 124 Cb 0.49 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2yrs h SER 124 CO -0.39 0.41 0.24 -0.07 -1.14 0.00 0.00 176.83 175.88 2yrs h LEU 125 N -0.19 0.49 -0.36 5.07 3.38 -0.32 0.20 115.31 123.58 2yrs h LEU 125 Ca 0.02 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2yrs h LEU 125 Cb 0.35 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2yrs h LEU 125 CO 0.00 0.40 -0.12 -0.78 0.09 0.00 0.00 178.44 178.03 2yrs h ASP 126 N 0.53 -0.43 0.29 -0.43 3.58 -0.79 0.29 116.42 119.47 2yrs h ASP 126 Ca 0.15 0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.66 2yrs h ASP 126 Cb 0.00 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2yrs h ASP 126 CO -0.03 -0.15 -0.27 0.11 -2.88 0.00 0.00 179.24 176.02 2yrs h LYS 127 N -0.04 0.00 -0.15 0.28 1.57 -0.61 -1.67 116.57 115.95 2yrs h LYS 127 Ca 0.18 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2yrs h LYS 127 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2yrs h LYS 127 CO -0.40 0.27 -0.17 0.35 -0.57 0.00 0.00 179.45 178.93 2yrs h PHE 128 N 0.00 0.46 -0.16 -1.35 3.57 0.73 -1.63 116.94 118.56 2yrs h PHE 128 Ca -0.00 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.26 2yrs h PHE 128 Cb 0.49 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2yrs h PHE 128 CO 0.00 0.78 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.46 2yrs h LEU 129 N -0.00 0.33 -0.91 0.59 3.38 -0.04 -0.53 115.31 118.13 2yrs h LEU 129 Ca 0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2yrs h LEU 129 Cb 0.72 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2yrs h LEU 129 CO 0.04 0.65 0.35 0.00 0.09 0.00 0.00 178.44 179.57 2yrs h ALA 130 N 1.38 1.14 -0.11 1.53 0.00 -1.31 -0.65 119.26 121.24 2yrs h ALA 130 Ca 0.03 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2yrs h ALA 130 Cb 0.72 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2yrs h ALA 130 CO 0.06 0.64 -0.74 0.77 0.00 0.00 0.00 179.25 179.97 2yrs h SER 131 N 1.12 0.64 -0.47 0.00 0.02 -0.61 0.20 113.55 114.45 2yrs h SER 131 Ca 0.27 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2yrs h SER 131 Cb 0.15 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2yrs h SER 131 CO -0.03 1.17 0.10 0.58 -1.14 0.00 0.00 176.83 177.51 2yrs h VAL 132 N 0.37 1.24 -0.67 2.27 2.07 -1.03 -1.64 116.25 118.85 2yrs h VAL 132 Ca -0.04 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.66 2yrs h VAL 132 Cb 1.33 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 2yrs h VAL 132 CO 0.14 0.31 0.40 0.28 0.02 0.00 0.00 177.57 178.71 2yrs h SER 133 N 0.64 0.64 -0.38 0.57 0.02 -0.71 0.76 113.55 115.07 2yrs h SER 133 Ca 0.15 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2yrs h SER 133 Cb 0.35 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2yrs h SER 133 CO 0.00 0.43 0.05 0.74 -1.14 0.00 0.00 176.83 176.91 2yrs h THR 134 N 0.77 1.22 -0.02 -2.27 2.02 -0.34 -2.26 112.91 112.04 2yrs h THR 134 Ca 0.28 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 2yrs h THR 134 Cb 0.09 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2yrs h THR 134 CO -0.14 0.31 -0.03 0.58 0.37 0.00 0.00 175.52 176.62 2yrs h VAL 135 N 0.70 1.42 -0.07 3.16 2.07 -0.28 -0.48 116.25 122.76 2yrs h VAL 135 Ca 0.15 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2yrs h VAL 135 Cb 0.36 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2yrs h VAL 135 CO 0.01 0.34 0.40 -0.07 0.02 0.00 0.00 177.57 178.27 2yrs h LEU 136 N -0.46 0.00 -0.88 2.57 3.38 -0.62 -1.98 115.31 117.31 2yrs h LEU 136 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2yrs h LEU 136 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2yrs h LEU 136 CO 0.01 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.95 2yrs n THR 137 N -2.99 0.00 -0.28 0.22 -1.04 -0.87 -4.31 114.28 105.01 2yrs n THR 137 Ca -0.00 -0.45 0.20 0.00 -2.04 0.00 0.00 64.05 61.76 2yrs n THR 137 Cb 0.47 1.10 0.50 0.00 -1.82 0.00 0.00 70.33 70.58 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 0.44 -0.26 8.00 0.87 -0.28 -2.99 113.55 119.32 2yrs h SER 138 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2yrs h SER 138 Cb 0.05 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2yrs h SER 138 CO 0.00 0.15 0.00 0.29 -0.53 0.00 0.00 176.83 176.74 2yrs n LYS 139 N -4.55 2.82 0.26 2.24 5.02 -1.26 -4.64 118.16 118.04 2yrs n LYS 139 Ca 0.22 -2.38 0.08 0.00 -2.02 0.00 0.00 58.31 54.21 2yrs n LYS 139 Cb 0.76 -1.51 0.63 0.00 -0.02 0.00 0.00 35.03 34.89 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 1.66 0.00 0.00 2.13 -1.99 -1.86 -3.46 116.97 113.45 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 1.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.76 2yrs h TYR 140 CO 0.31 0.02 0.00 2.89 -0.00 0.00 0.00 178.16 181.39