#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrs s HIS 3 N 0.00 3.20 -0.13 3.52 5.04 -1.26 -4.84 115.29 120.81 2yrs s HIS 3 Ca 0.00 -0.05 -0.01 0.00 -1.54 0.00 0.00 55.06 53.46 2yrs s HIS 3 Cb 0.00 -2.25 -0.02 0.00 0.04 0.00 0.00 32.58 30.36 2yrs s HIS 3 CO 0.00 -0.12 -0.11 -0.51 -2.34 0.00 0.00 174.74 171.67 2yrs s LEU 4 N 1.28 2.86 0.99 8.88 1.43 -1.26 -5.07 118.68 127.80 2yrs s LEU 4 Ca 0.06 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 2yrs s LEU 4 Cb -0.14 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2yrs s LEU 4 CO 0.05 0.18 0.19 0.35 0.23 0.00 0.00 176.35 177.35 2yrs n THR 5 N 3.47 0.00 -0.17 5.49 -2.24 -1.26 -4.73 114.28 114.84 2yrs n THR 5 Ca -0.18 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2yrs n THR 5 Cb 0.53 -0.56 0.26 0.00 -2.10 0.00 0.00 70.33 68.45 2yrs n THR 5 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2yrs h PRO 6 N -1.62 0.89 0.00 -0.78 0.11 -1.99 -2.44 132.00 126.17 2yrs h PRO 6 Ca -0.46 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 2yrs h PRO 6 Cb 1.30 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2yrs h PRO 6 CO 0.34 0.64 -0.64 1.05 -0.21 0.00 0.00 178.00 179.18 2yrs h GLU 7 N 0.91 0.00 -0.23 1.05 -0.00 -1.98 -1.50 114.58 112.83 2yrs h GLU 7 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.57 2yrs h GLU 7 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.73 2yrs h GLU 7 CO -0.04 0.64 0.04 0.93 -0.00 0.00 0.00 179.01 180.58 2yrs h GLU 8 N 0.00 0.38 -0.54 1.06 5.08 -1.85 0.13 114.58 118.84 2yrs h GLU 8 Ca -0.01 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2yrs h GLU 8 Cb 1.47 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 2yrs h GLU 8 CO 0.08 0.51 0.32 0.87 -1.00 0.00 0.00 179.01 179.80 2yrs h LYS 9 N 0.19 0.62 -0.25 2.33 1.57 -1.39 0.19 116.57 119.83 2yrs h LYS 9 Ca 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2yrs h LYS 9 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2yrs h LYS 9 CO 0.00 0.41 0.05 0.77 -0.57 0.00 0.00 179.45 180.11 2yrs h SER 10 N 0.64 0.39 -0.82 0.86 0.02 -1.24 -1.66 113.55 111.74 2yrs h SER 10 Ca 0.22 -0.25 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2yrs h SER 10 Cb 0.02 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.39 2yrs h SER 10 CO -0.10 0.54 0.48 0.00 -1.14 0.00 0.00 176.83 176.61 2yrs h ALA 11 N 0.87 1.15 -0.04 3.77 0.00 -0.20 -1.56 119.26 123.24 2yrs h ALA 11 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2yrs h ALA 11 Cb 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2yrs h ALA 11 CO 0.00 0.15 -0.02 0.28 0.00 0.00 0.00 179.25 179.66 2yrs h VAL 12 N 0.84 1.33 -0.66 0.00 2.07 -0.61 -2.83 116.25 116.39 2yrs h VAL 12 Ca 0.38 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2yrs h VAL 12 Cb 0.29 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2yrs h VAL 12 CO -0.22 0.27 0.41 0.74 0.02 0.00 0.00 177.57 178.79 2yrs h THR 13 N -0.30 1.18 0.00 2.57 2.02 -1.23 -1.81 112.91 115.34 2yrs h THR 13 Ca 0.01 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 2yrs h THR 13 Cb 0.45 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2yrs h THR 13 CO 0.01 0.18 -0.27 0.00 0.37 0.00 0.00 175.52 175.81 2yrs h ALA 14 N 1.55 0.89 0.15 6.16 0.00 -1.18 -2.41 119.26 124.42 2yrs h ALA 14 Ca 0.24 -0.25 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2yrs h ALA 14 Cb -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2yrs h ALA 14 CO -0.05 0.34 -1.80 1.25 0.00 0.00 0.00 179.25 178.99 2yrs h LEU 15 N 0.00 0.50 -1.08 0.00 6.46 -1.26 -3.32 115.31 116.61 2yrs h LEU 15 Ca -0.00 -0.85 -0.09 0.00 -0.12 0.00 0.00 57.88 56.82 2yrs h LEU 15 Cb 1.02 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 2yrs h LEU 15 CO 0.04 1.73 -0.32 -0.25 -0.62 0.00 0.00 178.44 179.02 2yrs h TRP 16 N 0.09 0.28 0.00 1.25 2.91 -1.21 0.25 115.95 119.51 2yrs h TRP 16 Ca -0.35 -0.06 -0.00 0.00 1.13 0.00 0.00 58.89 59.60 2yrs h TRP 16 Cb 2.07 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 30.65 2yrs h TRP 16 CO 0.09 0.54 -0.01 0.78 -1.03 0.00 0.00 178.44 178.81 2yrs h GLY 17 N 1.07 0.00 0.03 2.65 0.00 -1.53 -1.01 103.07 104.29 2yrs h GLY 17 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2yrs h GLY 17 CO 0.05 0.00 -0.18 0.28 0.00 0.00 0.00 176.54 176.69 2yrs n LYS 18 N -3.25 1.09 -2.93 4.80 5.02 0.06 -4.93 118.16 118.02 2yrs n LYS 18 Ca -0.03 -0.63 -0.40 0.00 -2.02 0.00 0.00 58.31 55.23 2yrs n LYS 18 Cb 0.10 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 2yrs n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2yrs s VAL 19 N -2.35 4.94 -0.43 -0.18 1.01 -0.38 -5.01 120.40 118.00 2yrs s VAL 19 Ca 0.29 1.66 -0.17 0.00 0.00 0.00 0.00 61.98 63.76 2yrs s VAL 19 Cb 0.20 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2yrs s VAL 19 CO 0.46 0.24 0.44 0.21 0.00 0.00 0.00 175.10 176.45 2yrs s ASN 20 N 0.72 6.19 0.27 3.32 2.47 -1.26 -4.95 114.94 121.70 2yrs s ASN 20 Ca 0.42 -0.72 -0.03 0.00 0.42 0.00 0.00 52.86 52.94 2yrs s ASN 20 Cb -0.19 -2.22 0.34 0.00 -1.45 0.00 0.00 41.25 37.73 2yrs s ASN 20 CO 0.22 -0.59 1.85 0.58 -3.72 0.00 0.00 177.10 175.44 2yrs h VAL 21 N 5.73 1.23 0.01 -5.21 2.07 -1.94 -0.93 116.25 117.21 2yrs h VAL 21 Ca -0.27 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.57 2yrs h VAL 21 Cb 1.11 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2yrs h VAL 21 CO 0.80 0.29 -0.29 0.44 0.02 0.00 0.00 177.57 178.83 2yrs h ASP 22 N 0.99 -0.89 0.01 0.57 5.19 -1.92 0.72 116.42 121.08 2yrs h ASP 22 Ca 0.24 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2yrs h ASP 22 Cb 0.16 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.00 2yrs h ASP 22 CO -0.02 -0.29 -0.00 -0.08 -3.12 0.00 0.00 179.24 175.73 2yrs h GLU 23 N -0.37 -0.01 -0.53 3.56 4.81 -1.88 -1.80 114.58 118.36 2yrs h GLU 23 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2yrs h GLU 23 Cb 0.39 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2yrs h GLU 23 CO -0.19 0.03 -0.06 0.28 -0.73 0.00 0.00 179.01 178.35 2yrs h VAL 24 N -0.05 1.26 0.17 0.32 2.07 -1.25 0.60 116.25 119.37 2yrs h VAL 24 Ca -0.00 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2yrs h VAL 24 Cb 0.04 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2yrs h VAL 24 CO 0.00 0.42 -0.08 1.23 0.02 0.00 0.00 177.57 179.16 2yrs h GLY 25 N 0.98 -0.24 0.96 2.17 0.00 -0.81 0.22 103.07 106.34 2yrs h GLY 25 Ca 0.15 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2yrs h GLY 25 CO 0.04 -0.09 0.18 -1.33 0.00 0.00 0.00 176.54 175.34 2yrs h GLY 26 N -0.45 0.49 0.35 4.60 0.00 -1.27 -1.85 103.07 104.93 2yrs h GLY 26 Ca -0.02 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.16 2yrs h GLY 26 CO 0.04 0.21 0.05 0.83 0.00 0.00 0.00 176.54 177.67 2yrs h GLU 27 N 0.40 0.16 -0.03 4.80 4.39 -0.76 -0.11 114.58 123.43 2yrs h GLU 27 Ca 0.11 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2yrs h GLU 27 Cb 0.06 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2yrs h GLU 27 CO -0.02 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 177.94 2yrs h ALA 28 N 1.37 0.04 -0.55 3.43 0.00 -0.44 -1.16 119.26 121.95 2yrs h ALA 28 Ca 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2yrs h ALA 28 Cb 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2yrs h ALA 28 CO -0.33 -0.31 0.28 1.25 0.00 0.00 0.00 179.25 180.14 2yrs h LEU 29 N -0.22 0.70 -0.40 0.00 5.85 -1.27 0.08 115.31 120.04 2yrs h LEU 29 Ca 0.01 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2yrs h LEU 29 Cb 0.29 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2yrs h LEU 29 CO 0.00 0.61 0.10 1.23 -0.34 0.00 0.00 178.44 180.04 2yrs h GLY 30 N 0.73 0.68 0.82 3.75 0.00 -0.99 -1.97 103.07 106.10 2yrs h GLY 30 Ca 0.19 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.14 2yrs h GLY 30 CO -0.03 0.40 0.59 3.21 0.00 0.00 0.00 176.54 180.71 2yrs h ARG 31 N 0.50 1.07 -0.68 4.80 3.08 -0.92 -0.62 114.38 121.61 2yrs h ARG 31 Ca 0.12 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.23 2yrs h ARG 31 Cb 0.31 -0.24 -0.09 0.00 0.08 0.00 0.00 29.97 30.03 2yrs h ARG 31 CO 0.00 0.71 0.24 1.25 -1.07 0.00 0.00 179.97 181.11 2yrs h LEU 32 N 1.11 0.21 -1.12 3.04 5.85 -0.50 0.30 115.31 124.19 2yrs h LEU 32 Ca 0.38 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 59.11 2yrs h LEU 32 Cb 0.07 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2yrs h LEU 32 CO -0.14 0.09 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.57 2yrs h LEU 33 N 0.40 0.00 0.00 2.25 4.07 -0.43 -0.55 115.31 121.05 2yrs h LEU 33 Ca 0.36 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.18 2yrs h LEU 33 Cb 0.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2yrs h LEU 33 CO -0.38 0.41 -0.81 0.58 -1.08 0.00 0.00 178.44 177.16 2yrs h VAL 34 N 0.00 1.09 -0.06 1.22 2.07 -0.45 -3.28 116.25 116.85 2yrs h VAL 34 Ca -0.00 -2.13 -0.13 0.00 0.82 0.00 0.00 66.70 65.26 2yrs h VAL 34 Cb 0.79 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2yrs h VAL 34 CO 0.05 0.37 -0.56 0.58 0.02 0.00 0.00 177.57 178.04 2yrs h VAL 35 N -1.00 1.38 -2.46 2.57 2.07 -0.50 -3.35 116.25 114.96 2yrs h VAL 35 Ca -0.22 -1.89 -0.59 0.00 0.82 0.00 0.00 66.70 64.82 2yrs h VAL 35 Cb 1.13 1.96 -0.40 0.00 -1.52 0.00 0.00 31.29 32.46 2yrs h VAL 35 CO -0.13 0.55 -0.81 -1.22 0.02 0.00 0.00 177.57 175.98 2yrs n TYR 36 N -3.90 1.35 0.22 1.57 4.01 -0.21 -4.97 117.16 115.22 2yrs n TYR 36 Ca -0.02 -3.83 0.04 0.00 -0.16 0.00 0.00 57.90 53.94 2yrs n TYR 36 Cb 0.58 -0.29 0.20 0.00 -0.31 0.00 0.00 39.34 39.51 2yrs n TYR 36 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2yrs n PRO 37 N 1.87 0.03 0.26 -0.72 -0.04 -1.24 -1.26 135.00 133.90 2yrs n PRO 37 Ca 0.25 0.42 0.15 0.00 -0.04 0.00 0.00 63.50 64.28 2yrs n PRO 37 Cb 0.44 -1.57 0.49 0.00 -0.04 0.00 0.00 33.50 32.82 2yrs n PRO 37 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2yrs h TRP 38 N 0.00 0.00 0.00 0.54 0.09 -1.90 -1.65 115.95 113.03 2yrs h TRP 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2yrs h TRP 38 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.35 2yrs h TRP 38 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 2yrs h THR 39 N 0.00 0.00 -0.19 0.12 1.35 -1.49 -2.46 112.91 110.24 2yrs h THR 39 Ca -0.00 -0.21 0.05 0.00 -0.55 0.00 0.00 66.41 65.71 2yrs h THR 39 Cb 0.70 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2yrs h THR 39 CO 0.00 0.00 0.33 1.56 -0.25 0.00 0.00 175.52 177.17 2yrs h GLN 40 N 0.00 0.00 -0.68 4.72 4.20 -1.49 -3.14 115.11 118.72 2yrs h GLN 40 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 2yrs h GLN 40 Cb 0.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2yrs h GLN 40 CO 0.00 0.00 0.60 0.07 -0.67 0.00 0.00 178.83 178.83 2yrs h ARG 41 N 0.00 0.00 0.00 1.46 0.11 -1.65 0.20 114.38 114.49 2yrs h ARG 41 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2yrs h ARG 41 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 2yrs h ARG 41 CO -0.00 0.00 -0.36 0.74 0.10 0.00 0.00 179.97 180.44 2yrs h PHE 42 N 0.00 0.00 -0.86 4.08 0.04 -1.82 -3.39 116.94 114.99 2yrs h PHE 42 Ca 0.33 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.57 2yrs h PHE 42 Cb 1.52 0.00 -0.43 0.00 2.20 0.00 0.00 35.95 39.24 2yrs h PHE 42 CO 0.00 0.00 -0.84 1.19 -0.60 0.00 0.00 178.31 178.06 2yrs n PHE 43 N -2.25 2.71 0.20 -0.55 3.72 0.69 -4.73 117.46 117.25 2yrs n PHE 43 Ca 0.04 -2.38 0.05 0.00 -0.05 0.00 0.00 57.45 55.12 2yrs n PHE 43 Cb 0.45 -0.29 0.42 0.00 -0.94 0.00 0.00 39.48 39.12 2yrs n PHE 43 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2yrs h GLU 44 N 2.30 0.00 0.00 -1.08 4.11 -1.77 -2.18 114.58 115.96 2yrs h GLU 44 Ca 0.31 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.69 2yrs h GLU 44 Cb 1.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2yrs h GLU 44 CO 0.72 0.33 -0.21 0.66 0.07 0.00 0.00 179.01 180.59 2yrs h SER 45 N 0.00 0.00 0.77 3.06 4.64 -1.93 -3.10 113.55 116.98 2yrs h SER 45 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yrs h SER 45 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2yrs h SER 45 CO 0.04 0.21 0.00 -0.26 -0.87 0.00 0.00 176.83 175.95 2yrs h PHE 46 N 0.00 0.00 0.00 4.77 -1.00 -1.76 -3.49 116.94 115.46 2yrs h PHE 46 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2yrs h PHE 46 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 2yrs h PHE 46 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 2yrs n GLY 47 N -0.09 -0.02 3.65 -1.45 0.00 -1.17 -4.82 105.19 101.29 2yrs n GLY 47 Ca 0.01 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 2yrs n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yrs s ASP 48 N -4.00 7.01 -0.08 1.61 2.15 -1.26 -4.88 116.67 117.22 2yrs s ASP 48 Ca 0.00 1.25 0.12 0.00 0.43 0.00 0.00 52.55 54.35 2yrs s ASP 48 Cb 0.00 -2.54 0.19 0.00 -0.30 0.00 0.00 42.92 40.26 2yrs s ASP 48 CO 0.00 -0.77 1.08 0.18 -0.17 0.00 0.00 175.17 175.48 2yrs n LEU 49 N 6.60 1.87 0.17 -1.34 4.77 -1.26 -4.44 117.00 123.37 2yrs n LEU 49 Ca 0.12 -2.48 0.13 0.00 -0.03 0.00 0.00 56.01 53.76 2yrs n LEU 49 Cb 0.46 -0.27 0.50 0.00 -2.33 0.00 0.00 43.42 41.78 2yrs n LEU 49 CO 0.56 0.58 0.89 0.77 -1.33 0.00 0.00 177.39 178.86 2yrs h SER 50 N 0.00 0.00 -5.03 -1.43 4.64 -1.94 -3.44 113.55 106.35 2yrs h SER 50 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2yrs h SER 50 Cb 0.96 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.86 2yrs h SER 50 CO 0.00 0.00 -0.60 0.42 -0.87 0.00 0.00 176.83 175.78 2yrs s THR 51 N -3.36 0.12 0.28 2.95 -4.23 -1.26 -5.04 115.64 105.10 2yrs s THR 51 Ca 0.05 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 2yrs s THR 51 Cb 0.09 -0.58 0.27 0.00 1.34 0.00 0.00 72.50 73.62 2yrs s THR 51 CO 0.48 -0.54 1.77 -0.65 -0.54 0.00 0.00 174.62 175.14 2yrs h PRO 52 N 4.16 0.69 -0.16 3.99 0.10 -1.97 -0.35 132.00 138.45 2yrs h PRO 52 Ca -0.32 -0.04 -0.15 0.00 0.10 0.00 0.00 66.00 65.59 2yrs h PRO 52 Cb 1.19 -0.15 -0.01 0.00 0.10 0.00 0.00 31.00 32.13 2yrs h PRO 52 CO 0.46 0.45 -0.52 -0.44 0.10 0.00 0.00 178.00 178.05 2yrs h ASP 53 N 0.71 0.50 -0.55 -2.05 3.32 -1.97 0.66 116.42 117.04 2yrs h ASP 53 Ca 0.52 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.33 2yrs h ASP 53 Cb 0.77 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 2yrs h ASP 53 CO -0.37 0.93 0.34 0.00 -1.72 0.00 0.00 179.24 178.42 2yrs h ALA 54 N 1.08 0.70 0.02 3.45 0.00 -1.69 -0.93 119.26 121.89 2yrs h ALA 54 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yrs h ALA 54 Cb 1.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2yrs h ALA 54 CO 0.09 0.07 -0.01 0.28 0.00 0.00 0.00 179.25 179.68 2yrs h VAL 55 N 0.68 1.41 0.00 0.00 2.07 -0.60 -0.61 116.25 119.20 2yrs h VAL 55 Ca 0.22 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 2yrs h VAL 55 Cb -0.01 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2yrs h VAL 55 CO -0.08 0.36 -0.20 0.24 0.02 0.00 0.00 177.57 177.91 2yrs h MET 56 N -0.65 0.00 0.00 1.57 2.86 -0.86 -1.89 114.93 115.96 2yrs h MET 56 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2yrs h MET 56 Cb 0.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2yrs h MET 56 CO 0.00 0.20 -0.80 0.78 1.06 0.00 0.00 176.91 178.15 2yrs h GLY 57 N 1.37 0.00 -5.32 8.32 0.00 -1.18 -3.48 103.07 102.78 2yrs h GLY 57 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 2yrs h GLY 57 CO 0.03 0.00 0.75 -2.01 0.00 0.00 0.00 176.54 175.30 2yrs n ASN 58 N -3.02 2.67 0.13 0.19 2.85 -0.24 -4.83 115.26 113.02 2yrs n ASN 58 Ca -0.02 1.08 0.03 0.00 -0.11 0.00 0.00 54.58 55.56 2yrs n ASN 58 Cb 0.72 -1.33 0.02 0.00 1.24 0.00 0.00 39.78 40.43 2yrs n ASN 58 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2yrs h PRO 59 N 6.08 0.00 -0.60 1.20 0.13 -1.90 -2.76 132.00 134.16 2yrs h PRO 59 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2yrs h PRO 59 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2yrs h PRO 59 CO 0.87 0.43 0.01 0.87 -0.23 0.00 0.00 178.00 179.94 2yrs h LYS 60 N 0.00 1.05 -1.00 0.86 1.57 -1.88 -1.53 116.57 115.65 2yrs h LYS 60 Ca -0.02 -0.33 0.06 0.00 -1.87 0.00 0.00 60.65 58.49 2yrs h LYS 60 Cb 1.37 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.51 2yrs h LYS 60 CO 0.06 1.03 0.65 0.28 -0.57 0.00 0.00 179.45 180.89 2yrs h VAL 61 N 0.95 1.09 -0.24 0.50 2.07 -1.87 -0.03 116.25 118.71 2yrs h VAL 61 Ca 0.17 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 2yrs h VAL 61 Cb 0.55 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2yrs h VAL 61 CO 0.03 0.21 -0.17 0.11 0.02 0.00 0.00 177.57 177.77 2yrs h LYS 62 N 1.17 0.54 0.63 1.57 1.57 -1.18 -1.10 116.57 119.76 2yrs h LYS 62 Ca 0.43 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2yrs h LYS 62 Cb 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2yrs h LYS 62 CO -0.17 0.83 -0.35 0.00 -0.57 0.00 0.00 179.45 179.20 2yrs h ALA 63 N 0.70 -1.21 -0.84 3.86 0.00 -1.05 -2.10 119.26 118.63 2yrs h ALA 63 Ca 0.05 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.97 2yrs h ALA 63 Cb 0.70 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2yrs h ALA 63 CO 0.05 -1.16 0.07 1.25 0.00 0.00 0.00 179.25 179.46 2yrs h HIS 64 N -0.90 0.06 -1.00 0.00 -0.00 -1.11 -0.72 115.15 111.47 2yrs h HIS 64 Ca -0.09 0.06 0.11 0.00 -0.00 0.00 0.00 60.37 60.46 2yrs h HIS 64 Cb 0.71 0.11 -0.08 0.00 -0.00 0.00 0.00 27.41 28.14 2yrs h HIS 64 CO 0.00 -0.27 0.63 0.78 -0.00 0.00 0.00 177.93 179.08 2yrs h GLY 65 N 0.12 1.63 0.86 5.26 0.00 -1.08 0.01 103.07 109.87 2yrs h GLY 65 Ca 0.49 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2yrs h GLY 65 CO -0.71 0.18 -0.09 1.70 0.00 0.00 0.00 176.54 177.62 2yrs h LYS 66 N 1.02 -0.24 -0.52 4.80 3.64 -0.46 -0.81 116.57 124.01 2yrs h LYS 66 Ca 0.49 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.95 2yrs h LYS 66 Cb 0.45 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 2yrs h LYS 66 CO -0.26 -0.04 0.21 -0.22 -2.27 0.00 0.00 179.45 176.87 2yrs h LYS 67 N -0.39 0.39 0.01 1.90 3.64 -0.45 0.51 116.57 122.18 2yrs h LYS 67 Ca -0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2yrs h LYS 67 Cb 0.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2yrs h LYS 67 CO 0.04 0.26 -0.01 0.28 -2.27 0.00 0.00 179.45 177.76 2yrs h VAL 68 N 0.41 1.21 0.00 2.00 2.07 -0.94 -2.43 116.25 118.57 2yrs h VAL 68 Ca 0.24 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 2yrs h VAL 68 Cb 0.23 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2yrs h VAL 68 CO -0.23 0.17 -0.21 -0.07 0.02 0.00 0.00 177.57 177.26 2yrs h LEU 69 N -0.31 0.00 -0.28 2.57 -0.00 -0.99 -1.16 115.31 115.15 2yrs h LEU 69 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2yrs h LEU 69 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2yrs h LEU 69 CO 0.00 0.21 0.02 1.23 -0.00 0.00 0.00 178.44 179.90 2yrs h GLY 70 N 1.72 0.51 1.51 0.83 0.00 0.25 -0.67 103.07 107.22 2yrs h GLY 70 Ca -0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 2yrs h GLY 70 CO 0.03 0.33 -0.53 0.00 0.00 0.00 0.00 176.54 176.37 2yrs h ALA 71 N 0.84 0.74 -0.73 3.60 0.00 -1.19 -1.93 119.26 120.60 2yrs h ALA 71 Ca 0.08 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2yrs h ALA 71 Cb 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2yrs h ALA 71 CO 0.01 0.68 0.45 0.35 0.00 0.00 0.00 179.25 180.74 2yrs h PHE 72 N 0.40 0.84 0.06 0.00 3.04 -1.15 -2.54 116.94 117.59 2yrs h PHE 72 Ca 0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2yrs h PHE 72 Cb 1.06 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 2yrs h PHE 72 CO 0.04 0.47 -0.07 1.03 -2.02 0.00 0.00 178.31 177.76 2yrs h SER 73 N 0.87 -0.18 -0.19 0.41 0.87 -0.87 -2.03 113.55 112.43 2yrs h SER 73 Ca 0.30 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.93 2yrs h SER 73 Cb 0.05 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2yrs h SER 73 CO -0.12 -0.10 0.15 0.44 -0.53 0.00 0.00 176.83 176.66 2yrs h ASP 74 N -0.15 0.00 1.51 6.23 3.32 -1.14 -1.31 116.42 124.89 2yrs h ASP 74 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2yrs h ASP 74 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2yrs h ASP 74 CO -0.02 0.00 -0.16 1.23 -1.72 0.00 0.00 179.24 178.56 2yrs h GLY 75 N 0.00 0.00 2.00 2.75 0.00 -0.96 -2.80 103.07 104.06 2yrs h GLY 75 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2yrs h GLY 75 CO -0.00 0.00 -0.09 1.41 0.00 0.00 0.00 176.54 177.86 2yrs h LEU 76 N 0.00 0.00 -0.97 3.11 4.07 -0.94 -1.49 115.31 119.08 2yrs h LEU 76 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2yrs h LEU 76 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2yrs h LEU 76 CO 0.00 0.09 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 2yrs h ALA 77 N 1.91 1.00 -0.89 1.53 0.00 -1.56 -3.32 119.26 117.92 2yrs h ALA 77 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2yrs h ALA 77 Cb 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.67 2yrs h ALA 77 CO 0.01 0.00 -1.17 0.72 0.00 0.00 0.00 179.25 178.81 2yrs n HIS 78 N -2.64 1.24 0.33 0.00 8.25 -0.57 -4.85 115.22 116.99 2yrs n HIS 78 Ca 0.02 -2.66 0.21 0.00 -0.26 0.00 0.00 57.72 55.03 2yrs n HIS 78 Cb 0.28 -0.34 1.15 0.00 1.12 0.00 0.00 29.99 32.20 2yrs n HIS 78 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2yrs h LEU 79 N 2.90 0.00 0.00 2.41 -0.00 -1.65 -0.37 115.31 118.60 2yrs h LEU 79 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2yrs h LEU 79 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2yrs h LEU 79 CO 0.44 0.00 -0.21 0.47 -0.00 0.00 0.00 178.44 179.14 2yrs n ASP 80 N -3.22 0.52 -3.09 -0.43 8.00 -1.26 -4.32 116.55 112.74 2yrs n ASP 80 Ca -0.03 0.34 -0.19 0.00 0.71 0.00 0.00 54.79 55.62 2yrs n ASP 80 Cb 0.09 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 2yrs n ASP 80 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2yrs n ASN 81 N -1.91 -0.28 0.06 -2.24 5.15 -0.15 -4.95 115.26 110.94 2yrs n ASN 81 Ca 0.05 -2.94 -0.08 0.00 -0.60 0.00 0.00 54.58 51.01 2yrs n ASN 81 Cb 0.39 -0.09 0.06 0.00 -0.53 0.00 0.00 39.78 39.62 2yrs n ASN 81 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2yrs h LEU 82 N 3.65 0.42 -0.24 1.20 3.38 -1.74 -1.04 115.31 120.94 2yrs h LEU 82 Ca 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2yrs h LEU 82 Cb 0.94 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2yrs h LEU 82 CO 0.43 0.97 0.13 0.11 0.09 0.00 0.00 178.44 180.17 2yrs h LYS 83 N 0.26 0.33 -0.07 1.13 1.57 -1.91 -0.05 116.57 117.84 2yrs h LYS 83 Ca -0.02 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2yrs h LYS 83 Cb 1.21 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 2yrs h LYS 83 CO 0.11 0.30 -0.09 0.78 -0.57 0.00 0.00 179.45 179.98 2yrs h GLY 84 N 0.28 0.20 0.44 3.86 0.00 -1.95 -1.90 103.07 104.00 2yrs h GLY 84 Ca 0.08 -0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.32 2yrs h GLY 84 CO -0.01 0.20 0.61 -0.84 0.00 0.00 0.00 176.54 176.50 2yrs h THR 85 N -0.27 0.90 -0.60 4.70 2.02 -1.16 -2.82 112.91 115.68 2yrs h THR 85 Ca 0.01 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2yrs h THR 85 Cb 0.63 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2yrs h THR 85 CO 0.02 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.58 2yrs n PHE 86 N -4.65 1.11 -0.11 3.16 3.72 -0.04 -4.58 117.46 116.08 2yrs n PHE 86 Ca 0.19 -0.57 -0.13 0.00 -0.05 0.00 0.00 57.45 56.89 2yrs n PHE 86 Cb 0.37 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 2yrs n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2yrs h ALA 87 N 3.63 0.49 -0.49 4.37 0.00 -1.07 0.74 119.26 126.93 2yrs h ALA 87 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2yrs h ALA 87 Cb 1.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2yrs h ALA 87 CO 0.12 0.49 -0.03 1.15 0.00 0.00 0.00 179.25 180.97 2yrs h THR 88 N 0.55 1.27 -0.25 0.00 2.02 -1.81 -1.55 112.91 113.14 2yrs h THR 88 Ca 0.06 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.04 2yrs h THR 88 Cb 0.83 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2yrs h THR 88 CO 0.07 0.39 -0.15 -0.07 0.37 0.00 0.00 175.52 176.13 2yrs h LEU 89 N 0.74 0.41 0.24 2.58 3.38 -1.75 -1.48 115.31 119.43 2yrs h LEU 89 Ca 0.13 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2yrs h LEU 89 Cb 0.56 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2yrs h LEU 89 CO 0.03 0.59 -0.19 -1.28 0.09 0.00 0.00 178.44 177.68 2yrs h SER 90 N 0.39 -0.48 -0.63 -0.43 0.87 -0.46 0.41 113.55 113.23 2yrs h SER 90 Ca 0.07 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 2yrs h SER 90 Cb 0.50 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2yrs h SER 90 CO 0.03 -0.29 0.04 -0.33 -0.53 0.00 0.00 176.83 175.75 2yrs h GLU 91 N -0.43 1.08 -0.15 2.24 5.08 -1.18 -0.33 114.58 120.89 2yrs h GLU 91 Ca -0.01 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 2yrs h GLU 91 Cb 0.39 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2yrs h GLU 91 CO -0.01 1.04 -0.17 1.25 -1.00 0.00 0.00 179.01 180.12 2yrs h LEU 92 N 0.99 -0.53 -1.61 1.33 5.85 -1.09 0.97 115.31 121.22 2yrs h LEU 92 Ca 0.18 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2yrs h LEU 92 Cb 0.52 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2yrs h LEU 92 CO 0.03 -0.21 -0.20 0.45 -0.34 0.00 0.00 178.44 178.16 2yrs h HIS 93 N -0.20 0.00 0.06 1.25 3.86 0.72 0.10 115.15 120.94 2yrs h HIS 93 Ca 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2yrs h HIS 93 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2yrs h HIS 93 CO -0.29 0.20 -0.03 0.00 0.86 0.00 0.00 177.93 178.67 2yrs h ASP 95 N -0.75 0.00 0.00 0.00 3.32 -0.78 -2.89 116.42 115.32 2yrs h ASP 95 Ca -0.01 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 2yrs h ASP 95 Cb 0.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2yrs h ASP 95 CO 0.01 0.23 -1.47 0.29 -1.72 0.00 0.00 179.24 176.58 2yrs n LYS 96 N -3.17 0.36 0.13 3.56 4.01 -0.08 -4.77 118.16 118.21 2yrs n LYS 96 Ca 0.03 0.15 0.11 0.00 -0.51 0.00 0.00 58.31 58.09 2yrs n LYS 96 Cb 0.61 -1.11 0.04 0.00 -0.51 0.00 0.00 35.03 34.05 2yrs n LYS 96 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2yrs h LEU 97 N -0.64 0.00 -1.49 -0.35 3.38 -1.35 -3.48 115.31 111.39 2yrs h LEU 97 Ca -0.28 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.23 2yrs h LEU 97 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2yrs h LEU 97 CO -0.17 0.03 -0.82 1.41 0.09 0.00 0.00 178.44 178.98 2yrs n HIS 98 N -2.80 -1.98 -3.01 1.13 8.25 -0.23 -4.91 115.22 111.67 2yrs n HIS 98 Ca 0.01 0.84 -0.43 0.00 -0.26 0.00 0.00 57.72 57.88 2yrs n HIS 98 Cb 0.56 -4.02 -0.06 0.00 1.12 0.00 0.00 29.99 27.59 2yrs n HIS 98 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2yrs s VAL 99 N -3.58 4.69 -0.41 1.59 1.01 0.01 -5.00 120.40 118.72 2yrs s VAL 99 Ca 0.28 0.26 -0.42 0.00 0.00 0.00 0.00 61.98 62.09 2yrs s VAL 99 Cb -0.14 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.76 2yrs s VAL 99 CO 0.84 -0.73 1.86 -0.67 0.00 0.00 0.00 175.10 176.40 2yrs n ASP 100 N 6.61 1.63 0.30 3.32 -0.08 -1.26 -4.72 116.55 122.36 2yrs n ASP 100 Ca 0.00 0.93 0.18 0.00 -1.51 0.00 0.00 54.79 54.39 2yrs n ASP 100 Cb 0.48 -1.02 0.95 0.00 2.34 0.00 0.00 41.12 43.86 2yrs n ASP 100 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2yrs h PRO 101 N 7.69 0.00 -1.03 -0.67 0.11 -1.95 0.88 132.00 137.03 2yrs h PRO 101 Ca -0.35 0.00 0.27 0.00 0.11 0.00 0.00 66.00 66.04 2yrs h PRO 101 Cb 1.36 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.35 2yrs h PRO 101 CO 1.01 0.00 0.63 1.49 -0.21 0.00 0.00 178.00 180.91 2yrs h GLU 102 N 0.00 0.45 -0.18 1.05 4.57 -1.98 0.87 114.58 119.36 2yrs h GLU 102 Ca 0.02 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2yrs h GLU 102 Cb 0.43 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2yrs h GLU 102 CO -0.00 0.30 0.13 -0.91 -1.18 0.00 0.00 179.01 177.35 2yrs h ASN 103 N 0.47 0.00 0.19 1.04 4.21 -1.18 -1.13 115.58 119.18 2yrs h ASN 103 Ca 0.65 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 58.05 2yrs h ASN 103 Cb 1.44 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.63 2yrs h ASN 103 CO -0.44 0.00 -0.43 -0.26 -1.29 0.00 0.00 177.43 175.02 2yrs h PHE 104 N 0.00 0.36 -0.20 1.19 0.04 -0.98 -1.11 116.94 116.24 2yrs h PHE 104 Ca 0.09 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 2yrs h PHE 104 Cb 0.35 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 2yrs h PHE 104 CO 0.00 0.68 -0.27 0.00 -0.60 0.00 0.00 178.31 178.12 2yrs h ARG 105 N 0.25 0.53 -0.68 1.51 3.08 -1.20 -1.86 114.38 116.01 2yrs h ARG 105 Ca 0.02 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 2yrs h ARG 105 Cb 0.86 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 2yrs h ARG 105 CO 0.07 0.90 0.17 -0.07 -1.07 0.00 0.00 179.97 179.97 2yrs h LEU 106 N 0.19 1.01 -0.75 3.04 3.38 -1.39 -1.71 115.31 119.09 2yrs h LEU 106 Ca 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2yrs h LEU 106 Cb 0.84 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2yrs h LEU 106 CO 0.06 0.97 0.43 0.25 0.09 0.00 0.00 178.44 180.24 2yrs h LEU 107 N 1.02 0.92 -1.09 1.67 5.85 -1.16 -2.00 115.31 120.52 2yrs h LEU 107 Ca 0.22 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2yrs h LEU 107 Cb 0.35 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2yrs h LEU 107 CO 0.00 0.73 0.33 1.23 -0.34 0.00 0.00 178.44 180.39 2yrs h GLY 108 N 1.03 1.04 0.98 3.75 0.00 -0.93 0.11 103.07 109.05 2yrs h GLY 108 Ca 0.27 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 2yrs h GLY 108 CO -0.05 0.47 -0.49 3.43 0.00 0.00 0.00 176.54 179.91 2yrs h ASN 109 N 0.97 0.75 -0.55 0.19 2.35 -0.79 -1.36 115.58 117.14 2yrs h ASN 109 Ca 0.24 -0.58 0.06 0.00 -0.55 0.00 0.00 56.30 55.47 2yrs h ASN 109 Cb 0.10 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 2yrs h ASN 109 CO -0.03 1.20 0.26 0.58 -1.65 0.00 0.00 177.43 177.78 2yrs h VAL 110 N 0.35 0.91 -0.81 2.81 2.07 -1.23 -1.96 116.25 118.38 2yrs h VAL 110 Ca -0.01 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2yrs h VAL 110 Cb 1.11 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2yrs h VAL 110 CO 0.11 0.09 0.50 0.25 0.02 0.00 0.00 177.57 178.54 2yrs h LEU 111 N 0.49 0.80 -0.21 2.57 5.85 -0.55 -0.05 115.31 124.21 2yrs h LEU 111 Ca 0.25 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2yrs h LEU 111 Cb 0.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2yrs h LEU 111 CO -0.20 0.53 0.12 0.58 -0.34 0.00 0.00 178.44 179.13 2yrs h VAL 112 N 0.94 1.10 -0.89 1.05 2.07 -0.90 0.12 116.25 119.75 2yrs h VAL 112 Ca 0.35 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.71 2yrs h VAL 112 Cb 0.12 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 2yrs h VAL 112 CO -0.15 0.10 0.53 0.00 0.02 0.00 0.00 177.57 178.06 2yrs h VAL 114 N 0.84 1.27 -0.64 0.00 2.07 -0.63 -0.61 116.25 118.56 2yrs h VAL 114 Ca 0.45 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2yrs h VAL 114 Cb 0.46 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2yrs h VAL 114 CO -0.27 0.41 0.27 -0.07 0.02 0.00 0.00 177.57 177.93 2yrs h LEU 115 N 0.73 0.84 -0.21 2.57 3.38 -0.58 0.18 115.31 122.22 2yrs h LEU 115 Ca 0.12 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2yrs h LEU 115 Cb 0.63 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2yrs h LEU 115 CO 0.04 0.74 -0.26 0.00 0.09 0.00 0.00 178.44 179.05 2yrs h ALA 116 N 1.39 0.31 -0.21 1.53 0.00 -0.71 -0.99 119.26 120.58 2yrs h ALA 116 Ca 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2yrs h ALA 116 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2yrs h ALA 116 CO -0.02 0.29 0.10 1.25 0.00 0.00 0.00 179.25 180.87 2yrs h HIS 117 N 0.21 0.30 0.07 0.00 -0.00 -0.86 0.39 115.15 115.27 2yrs h HIS 117 Ca 0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2yrs h HIS 117 Cb 0.82 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 2yrs h HIS 117 CO 0.08 0.31 -0.03 1.25 -0.00 0.00 0.00 177.93 179.54 2yrs h HIS 118 N 0.21 -0.09 0.00 5.26 6.17 -0.58 -3.31 115.15 122.81 2yrs h HIS 118 Ca 0.07 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.15 2yrs h HIS 118 Cb 0.12 0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.08 2yrs h HIS 118 CO -0.02 -0.02 -0.47 1.19 0.71 0.00 0.00 177.93 179.32 2yrs n PHE 119 N -5.11 0.63 0.00 5.26 3.72 -0.38 -5.03 117.46 116.55 2yrs n PHE 119 Ca -0.08 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2yrs n PHE 119 Cb 0.08 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 2yrs n PHE 119 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yrs n GLY 120 N 1.33 3.51 0.30 1.37 0.00 0.14 -2.54 105.19 109.30 2yrs n GLY 120 Ca 0.04 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.22 2yrs n GLY 120 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2yrs h LYS 121 N 0.00 0.00 0.00 1.61 2.10 -1.96 -1.41 116.57 116.91 2yrs h LYS 121 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2yrs h LYS 121 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2yrs h LYS 121 CO 0.00 0.01 -0.07 1.96 -2.00 0.00 0.00 179.45 179.34 2yrs h GLN 122 N 0.00 0.00 -4.29 0.07 4.20 -1.88 -3.31 115.11 109.90 2yrs h GLN 122 Ca -0.00 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 57.98 2yrs h GLN 122 Cb 0.32 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.99 2yrs h GLN 122 CO 0.00 0.07 2.22 0.34 -0.67 0.00 0.00 178.83 180.80 2yrs n PHE 123 N -3.43 3.81 -2.17 2.96 7.35 -0.53 -4.92 117.46 120.52 2yrs n PHE 123 Ca -0.02 -2.97 -0.33 0.00 -0.76 0.00 0.00 57.45 53.38 2yrs n PHE 123 Cb 0.22 -2.28 -0.00 0.00 0.35 0.00 0.00 39.48 37.76 2yrs n PHE 123 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2yrs s THR 124 N 2.03 3.97 0.23 -2.13 -4.23 -1.25 -4.76 115.64 109.50 2yrs s THR 124 Ca 0.45 0.96 -0.09 0.00 -1.18 0.00 0.00 61.69 61.83 2yrs s THR 124 Cb 0.07 -3.46 0.34 0.00 1.34 0.00 0.00 72.50 70.79 2yrs s THR 124 CO -0.01 -0.52 1.34 -2.65 -0.54 0.00 0.00 174.62 172.25 2yrs n PRO 125 N -1.82 -0.11 -0.05 3.99 -0.02 -1.26 0.04 135.00 135.76 2yrs n PRO 125 Ca 0.08 1.34 0.03 0.00 -2.02 0.00 0.00 63.50 62.94 2yrs n PRO 125 Cb 0.53 -2.00 0.38 0.00 -0.02 0.00 0.00 33.50 32.39 2yrs n PRO 125 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2yrs h PRO 126 N 0.00 0.65 0.01 0.52 0.11 -1.99 -2.19 132.00 129.11 2yrs h PRO 126 Ca 0.38 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 66.23 2yrs h PRO 126 Cb 0.60 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2yrs h PRO 126 CO -0.88 0.43 -0.95 0.28 -0.21 0.00 0.00 178.00 176.66 2yrs h VAL 127 N 0.66 1.40 0.21 3.15 2.07 -0.74 -2.32 116.25 120.69 2yrs h VAL 127 Ca 0.18 -2.47 0.01 0.00 0.82 0.00 0.00 66.70 65.24 2yrs h VAL 127 Cb -0.07 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2yrs h VAL 127 CO -0.04 0.74 -0.34 -0.61 0.02 0.00 0.00 177.57 177.34 2yrs h GLN 128 N 0.22 -0.60 -0.78 1.57 4.15 -1.22 -1.26 115.11 117.20 2yrs h GLN 128 Ca -0.08 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.50 2yrs h GLN 128 Cb 1.59 0.14 -0.08 0.00 0.21 0.00 0.00 27.48 29.34 2yrs h GLN 128 CO 0.16 -0.40 0.39 0.00 -1.93 0.00 0.00 178.83 177.06 2yrs h ALA 129 N -0.05 1.12 -0.65 3.38 0.00 -1.28 0.65 119.26 122.43 2yrs h ALA 129 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2yrs h ALA 129 Cb 0.61 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2yrs h ALA 129 CO -0.14 -0.06 0.37 0.00 0.00 0.00 0.00 179.25 179.42 2yrs h ALA 130 N 1.49 0.83 -0.19 0.00 0.00 -1.34 -1.50 119.26 118.56 2yrs h ALA 130 Ca 0.40 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 2yrs h ALA 130 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2yrs h ALA 130 CO -0.32 0.33 -0.46 1.88 0.00 0.00 0.00 179.25 180.69 2yrs h TYR 131 N 0.88 0.57 -0.98 0.00 0.05 0.13 -2.42 116.97 115.20 2yrs h TYR 131 Ca 0.23 -0.18 0.04 0.00 0.05 0.00 0.00 58.73 58.87 2yrs h TYR 131 Cb 0.02 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.59 2yrs h TYR 131 CO -0.01 0.84 0.65 1.96 -1.05 0.00 0.00 178.16 180.55 2yrs h GLN 132 N 0.38 1.21 -0.32 4.88 1.08 -0.06 0.21 115.11 122.48 2yrs h GLN 132 Ca 0.02 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 2yrs h GLN 132 Cb 0.95 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2yrs h GLN 132 CO 0.08 0.80 0.04 0.87 -0.95 0.00 0.00 178.83 179.67 2yrs h LYS 133 N 1.24 0.54 -0.23 1.46 1.57 -1.05 -2.31 116.57 117.78 2yrs h LYS 133 Ca 0.39 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2yrs h LYS 133 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2yrs h LYS 133 CO -0.12 0.64 0.15 0.28 -0.57 0.00 0.00 179.45 179.82 2yrs h VAL 134 N 0.36 1.06 -0.59 0.50 2.07 -0.92 -0.67 116.25 118.07 2yrs h VAL 134 Ca 0.10 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 2yrs h VAL 134 Cb 0.37 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2yrs h VAL 134 CO 0.01 0.06 -0.04 1.62 0.02 0.00 0.00 177.57 179.24 2yrs h VAL 135 N 0.31 1.27 -0.61 2.57 3.04 -0.64 0.67 116.25 122.84 2yrs h VAL 135 Ca 0.08 -1.19 -0.06 0.00 -1.01 0.00 0.00 66.70 64.52 2yrs h VAL 135 Cb -0.03 0.85 -0.02 0.00 -2.01 0.00 0.00 31.29 30.07 2yrs h VAL 135 CO -0.02 0.43 0.14 0.00 -1.01 0.00 0.00 177.57 177.11 2yrs h ALA 136 N 0.99 0.81 -0.49 3.17 0.00 -1.34 -1.91 119.26 120.49 2yrs h ALA 136 Ca 0.16 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2yrs h ALA 136 Cb 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2yrs h ALA 136 CO 0.04 0.52 0.06 0.78 0.00 0.00 0.00 179.25 180.65 2yrs h GLY 137 N 0.90 0.88 0.75 0.00 0.00 -0.02 -0.28 103.07 105.30 2yrs h GLY 137 Ca 0.19 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 46.94 2yrs h GLY 137 CO 0.00 0.56 -0.06 -2.08 0.00 0.00 0.00 176.54 174.96 2yrs h VAL 138 N 0.69 0.82 -0.23 4.60 2.07 -0.87 0.25 116.25 123.58 2yrs h VAL 138 Ca 0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 2yrs h VAL 138 Cb 0.42 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2yrs h VAL 138 CO 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.56 2yrs h ALA 139 N 0.99 0.17 -0.49 1.67 0.00 -1.11 0.26 119.26 120.75 2yrs h ALA 139 Ca 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2yrs h ALA 139 Cb 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2yrs h ALA 139 CO -0.12 -0.46 0.03 -0.91 0.00 0.00 0.00 179.25 177.79 2yrs h ASN 140 N 0.02 0.77 -0.00 0.00 -0.26 -0.84 0.62 115.58 115.89 2yrs h ASN 140 Ca 0.11 -0.18 -0.07 0.00 -0.56 0.00 0.00 56.30 55.61 2yrs h ASN 140 Cb 0.16 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 2yrs h ASN 140 CO -0.22 0.82 -0.17 0.00 -1.06 0.00 0.00 177.43 176.80 2yrs h ALA 141 N 1.27 1.35 0.00 -0.83 0.00 0.12 -2.04 119.26 119.13 2yrs h ALA 141 Ca 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2yrs h ALA 141 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2yrs h ALA 141 CO 0.02 0.44 -0.24 -0.07 0.00 0.00 0.00 179.25 179.39 2yrs h LEU 142 N 0.31 0.00 0.00 0.00 3.38 0.25 -3.07 115.31 116.17 2yrs h LEU 142 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2yrs h LEU 142 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2yrs h LEU 142 CO 0.03 0.24 -0.64 0.00 0.09 0.00 0.00 178.44 178.16 2yrs n ALA 143 N -2.18 3.03 -0.16 1.53 0.00 0.14 -4.39 120.51 118.47 2yrs n ALA 143 Ca 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 2yrs n ALA 143 Cb 0.55 -1.15 0.12 0.00 0.00 0.00 0.00 19.45 18.97 2yrs n ALA 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2yrs h HIS 144 N 0.00 0.98 -0.31 0.00 6.17 -1.28 -2.42 115.15 118.30 2yrs h HIS 144 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 60.37 60.95 2yrs h HIS 144 Cb 0.71 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.37 2yrs h HIS 144 CO 0.00 0.86 0.00 1.63 0.71 0.00 0.00 177.93 181.13 2yrs n LYS 145 N -4.22 2.70 -2.45 5.26 4.76 -1.26 -4.90 118.16 118.05 2yrs n LYS 145 Ca 0.03 -1.52 -0.40 0.00 -2.87 0.00 0.00 58.31 53.55 2yrs n LYS 145 Cb 0.29 -1.74 -0.04 0.00 -1.84 0.00 0.00 35.03 31.70 2yrs n LYS 145 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2yrs s TYR 146 N -1.79 3.54 0.00 2.13 1.51 -0.91 -4.70 117.35 117.13 2yrs s TYR 146 Ca 0.27 1.67 0.00 0.00 -1.01 0.00 0.00 57.07 58.00 2yrs s TYR 146 Cb 0.19 -3.31 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 2yrs s TYR 146 CO 0.10 -0.65 0.00 -2.39 -1.11 0.00 0.00 175.55 171.50