#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sct h VAL 3 N 0.00 1.17 0.02 0.58 2.07 -1.84 -2.29 116.25 115.97 1sct h VAL 3 Ca 0.00 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1sct h VAL 3 Cb 0.00 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1sct h VAL 3 CO 0.00 0.21 -0.01 0.00 0.02 0.00 0.00 177.57 177.79 1sct h ALA 4 N 1.46 -0.03 -0.13 1.67 0.00 -1.97 0.26 119.26 120.51 1sct h ALA 4 Ca 0.36 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1sct h ALA 4 Cb -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1sct h ALA 4 CO -0.10 -0.36 -0.06 1.49 0.00 0.00 0.00 179.25 180.21 1sct h GLU 5 N -0.34 -0.05 -0.73 0.00 4.81 -1.97 -1.52 114.58 114.77 1sct h GLU 5 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1sct h GLU 5 Cb 0.33 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1sct h GLU 5 CO 0.01 -0.04 0.23 -0.07 -0.73 0.00 0.00 179.01 178.41 1sct h LEU 6 N -0.05 1.06 -0.98 1.64 3.38 -1.34 -2.41 115.31 116.61 1sct h LEU 6 Ca 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1sct h LEU 6 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1sct h LEU 6 CO -0.16 0.99 0.13 0.00 0.09 0.00 0.00 178.44 179.48 1sct h ALA 7 N 1.12 1.17 -0.34 1.53 0.00 -0.25 -2.73 119.26 119.76 1sct h ALA 7 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1sct h ALA 7 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sct h ALA 7 CO -0.01 0.56 -0.21 -0.97 0.00 0.00 0.00 179.25 178.62 1sct h ASN 8 N 0.83 0.65 -0.39 0.00 -1.24 -1.12 -2.12 115.58 112.20 1sct h ASN 8 Ca 0.18 -0.22 -0.06 0.00 0.71 0.00 0.00 56.30 56.91 1sct h ASN 8 Cb 0.32 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1sct h ASN 8 CO 0.00 0.86 0.03 0.00 -1.29 0.00 0.00 177.43 177.03 1sct h ALA 9 N 1.19 0.52 -0.31 1.57 0.00 -1.14 -1.67 119.26 119.43 1sct h ALA 9 Ca 0.09 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1sct h ALA 9 Cb 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1sct h ALA 9 CO 0.05 0.27 -0.10 0.28 0.00 0.00 0.00 179.25 179.75 1sct h VAL 10 N 0.51 1.29 -0.55 0.00 2.07 -1.25 -1.91 116.25 116.40 1sct h VAL 10 Ca 0.11 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1sct h VAL 10 Cb 0.43 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1sct h VAL 10 CO 0.01 0.37 0.06 0.58 0.02 0.00 0.00 177.57 178.62 1sct h VAL 11 N 0.38 1.24 0.00 2.57 2.07 -1.44 -2.29 116.25 118.78 1sct h VAL 11 Ca 0.07 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1sct h VAL 11 Cb 0.60 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1sct h VAL 11 CO 0.04 0.35 0.00 0.28 0.02 0.00 0.00 177.57 178.26 1sct h SER 12 N 0.84 0.00 -3.37 0.57 0.02 -1.02 -3.41 113.55 107.18 1sct h SER 12 Ca 0.17 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.36 1sct h SER 12 Cb 0.41 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.71 1sct h SER 12 CO 0.01 0.00 0.05 0.21 -1.14 0.00 0.00 176.83 175.96 1sct s ASN 13 N -5.13 6.50 0.21 3.07 3.84 -0.74 -4.87 114.94 117.81 1sct s ASN 13 Ca 0.06 -2.20 -0.10 0.00 0.21 0.00 0.00 52.86 50.83 1sct s ASN 13 Cb 0.09 -2.24 0.19 0.00 -0.55 0.00 0.00 41.25 38.74 1sct s ASN 13 CO 0.56 -0.77 1.84 0.00 -2.79 0.00 0.00 177.10 175.94 1sct h ALA 14 N 8.39 0.90 -0.41 1.71 0.00 -1.82 -1.28 119.26 126.74 1sct h ALA 14 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sct h ALA 14 Cb 1.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1sct h ALA 14 CO 0.91 0.20 0.24 -0.44 0.00 0.00 0.00 179.25 180.16 1sct h ASP 15 N 0.84 0.39 -0.30 0.00 3.32 -1.96 -0.83 116.42 117.88 1sct h ASP 15 Ca 0.28 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1sct h ASP 15 Cb 0.03 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1sct h ASP 15 CO -0.11 0.28 -0.10 -0.61 -1.72 0.00 0.00 179.24 176.98 1sct h GLN 16 N 0.49 0.71 -0.50 3.56 4.15 -1.85 -2.65 115.11 119.01 1sct h GLN 16 Ca 0.17 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1sct h GLN 16 Cb 0.01 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1sct h GLN 16 CO -0.08 0.79 0.30 0.87 -1.93 0.00 0.00 178.83 178.79 1sct h LYS 17 N 0.65 0.67 -0.53 1.69 1.57 -0.10 -1.05 116.57 119.48 1sct h LYS 17 Ca 0.11 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1sct h LYS 17 Cb 0.55 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1sct h LYS 17 CO 0.03 0.47 0.22 -0.44 -0.57 0.00 0.00 179.45 179.16 1sct h ASP 18 N 0.69 0.72 -0.05 0.86 3.32 -0.86 -1.08 116.42 120.01 1sct h ASP 18 Ca 0.18 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1sct h ASP 18 Cb -0.03 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1sct h ASP 18 CO -0.03 0.68 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.80 1sct h LEU 19 N 0.71 0.53 -0.28 1.55 3.38 -1.00 -0.73 115.31 119.47 1sct h LEU 19 Ca 0.18 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1sct h LEU 19 Cb 0.18 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sct h LEU 19 CO -0.02 0.81 -0.27 -0.07 0.09 0.00 0.00 178.44 178.98 1sct h LEU 20 N 0.44 0.71 -0.25 1.67 3.38 -0.97 -1.99 115.31 118.31 1sct h LEU 20 Ca 0.06 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.46 1sct h LEU 20 Cb 0.75 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sct h LEU 20 CO 0.06 1.04 -0.24 0.03 0.09 0.00 0.00 178.44 179.42 1sct h ARG 21 N 0.40 0.60 -0.20 1.13 3.08 -1.05 0.42 114.38 118.76 1sct h ARG 21 Ca 0.04 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1sct h ARG 21 Cb 0.83 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1sct h ARG 21 CO 0.07 0.91 0.12 1.98 -1.07 0.00 0.00 179.97 181.98 1sct h MET 22 N 0.31 0.28 0.00 0.04 4.05 -1.16 -1.85 114.93 116.60 1sct h MET 22 Ca 0.04 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.31 1sct h MET 22 Cb 0.79 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1sct h MET 22 CO 0.06 0.22 -0.61 0.66 0.23 0.00 0.00 176.91 177.47 1sct h SER 23 N 0.25 0.00 -0.85 1.39 4.64 -1.29 -2.33 113.55 115.36 1sct h SER 23 Ca 0.07 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.48 1sct h SER 23 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 1sct h SER 23 CO -0.01 0.61 0.55 -0.25 -0.87 0.00 0.00 176.83 176.86 1sct h TRP 24 N 0.00 0.91 -0.38 4.77 2.91 -0.42 -1.08 115.95 122.66 1sct h TRP 24 Ca -0.01 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.15 1sct h TRP 24 Cb 1.11 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.45 1sct h TRP 24 CO 0.00 0.44 0.33 0.78 -1.03 0.00 0.00 178.44 178.96 1sct h GLY 25 N 0.86 0.00 0.36 2.65 0.00 -0.76 0.30 103.07 106.48 1sct h GLY 25 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.37 1sct h GLY 25 CO -0.16 0.00 -2.16 -0.62 0.00 0.00 0.00 176.54 173.61 1sct n VAL 26 N -4.05 1.52 0.16 4.60 0.31 -0.46 -3.91 118.33 116.49 1sct n VAL 26 Ca 0.06 -0.77 0.02 0.00 -0.01 0.00 0.00 64.34 63.65 1sct n VAL 26 Cb 0.51 -0.94 0.22 0.00 -0.91 0.00 0.00 33.84 32.71 1sct n VAL 26 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1sct h LEU 27 N 0.01 0.00 -1.39 7.52 3.38 -0.81 -2.93 115.31 121.09 1sct h LEU 27 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1sct h LEU 27 Cb 2.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.85 1sct h LEU 27 CO 0.03 0.51 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 1sct n SER 28 N -3.55 2.12 -0.18 -0.43 3.41 0.02 -3.92 113.62 111.08 1sct n SER 28 Ca -0.00 -1.73 -0.10 0.00 -0.26 0.00 0.00 58.87 56.78 1sct n SER 28 Cb 0.60 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1sct n SER 28 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1sct h VAL 29 N 3.06 1.26 -3.15 -3.33 2.07 -1.63 -3.34 116.25 111.19 1sct h VAL 29 Ca 0.00 -1.11 -0.62 0.00 0.82 0.00 0.00 66.70 65.78 1sct h VAL 29 Cb 0.66 0.92 -0.41 0.00 -1.52 0.00 0.00 31.29 30.95 1sct h VAL 29 CO 0.00 0.39 -0.68 -0.62 0.02 0.00 0.00 177.57 176.68 1sct s ASP 30 N -6.44 3.99 0.12 0.57 2.15 -1.25 -4.99 116.67 110.81 1sct s ASP 30 Ca -0.12 -2.92 -0.20 0.00 0.43 0.00 0.00 52.55 49.73 1sct s ASP 30 Cb 0.12 -1.34 -0.07 0.00 -0.30 0.00 0.00 42.92 41.33 1sct s ASP 30 CO 0.84 -0.23 1.74 0.24 -0.17 0.00 0.00 175.17 177.59 1sct h MET 31 N 6.48 0.11 -0.15 4.34 2.86 -1.73 -0.42 114.93 126.42 1sct h MET 31 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1sct h MET 31 Cb 0.89 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1sct h MET 31 CO 0.59 0.07 0.05 1.49 1.06 0.00 0.00 176.91 180.17 1sct h GLU 32 N 0.11 0.23 -0.63 1.72 4.81 -1.91 0.36 114.58 119.26 1sct h GLU 32 Ca 0.06 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1sct h GLU 32 Cb 0.04 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1sct h GLU 32 CO -0.07 0.34 0.16 0.78 -0.73 0.00 0.00 179.01 179.49 1sct h GLY 33 N 0.06 1.08 1.30 1.92 0.00 -1.93 -0.33 103.07 105.18 1sct h GLY 33 Ca 0.05 -0.68 -0.19 0.00 0.00 0.00 0.00 47.33 46.51 1sct h GLY 33 CO -0.00 0.63 -0.63 -0.84 0.00 0.00 0.00 176.54 175.69 1sct h THR 34 N 0.93 1.30 -0.16 4.70 2.02 -0.99 -1.10 112.91 119.61 1sct h THR 34 Ca 0.20 -1.87 0.01 0.00 0.77 0.00 0.00 66.41 65.52 1sct h THR 34 Cb 0.35 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1sct h THR 34 CO 0.00 0.59 0.09 1.23 0.37 0.00 0.00 175.52 177.80 1sct h GLY 35 N 0.83 0.21 0.89 2.16 0.00 -0.68 -0.63 103.07 105.85 1sct h GLY 35 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1sct h GLY 35 CO 0.13 0.06 0.57 1.41 0.00 0.00 0.00 176.54 178.71 1sct h LEU 36 N 0.18 0.95 -0.79 3.11 4.07 -1.03 -1.41 115.31 120.39 1sct h LEU 36 Ca 0.06 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.94 1sct h LEU 36 Cb -0.00 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.50 1sct h LEU 36 CO -0.03 0.66 0.11 -0.03 -1.08 0.00 0.00 178.44 178.07 1sct h MET 37 N 1.11 1.03 -0.47 1.13 4.05 -0.82 -1.11 114.93 119.85 1sct h MET 37 Ca 0.35 -0.26 -0.13 0.00 -0.28 0.00 0.00 59.70 59.38 1sct h MET 37 Cb -0.01 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1sct h MET 37 CO -0.11 0.94 -0.21 1.25 0.23 0.00 0.00 176.91 179.00 1sct h LEU 38 N 0.97 0.99 -0.31 3.39 5.85 -0.68 -1.53 115.31 123.99 1sct h LEU 38 Ca 0.20 -0.40 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1sct h LEU 38 Cb 0.40 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1sct h LEU 38 CO 0.01 1.17 -0.18 0.24 -0.34 0.00 0.00 178.44 179.34 1sct h MET 39 N 0.81 0.67 -0.38 1.25 2.86 -1.07 -0.28 114.93 118.79 1sct h MET 39 Ca 0.11 -0.31 0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1sct h MET 39 Cb 0.79 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 1sct h MET 39 CO 0.07 0.90 0.10 0.00 1.06 0.00 0.00 176.91 179.04 1sct h ALA 40 N 0.75 0.42 -0.46 6.32 0.00 -1.11 0.12 119.26 125.31 1sct h ALA 40 Ca 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1sct h ALA 40 Cb 0.72 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1sct h ALA 40 CO 0.05 -0.30 -0.11 -0.91 0.00 0.00 0.00 179.25 177.98 1sct h ASN 41 N 0.24 0.84 -0.81 0.00 2.35 -1.25 -1.90 115.58 115.05 1sct h ASN 41 Ca 0.18 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1sct h ASN 41 Cb 0.19 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1sct h ASN 41 CO -0.21 0.97 0.44 0.25 -1.65 0.00 0.00 177.43 177.22 1sct h LEU 42 N 0.76 1.01 -0.82 1.61 5.85 0.58 -2.97 115.31 121.33 1sct h LEU 42 Ca 0.13 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1sct h LEU 42 Cb 0.62 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1sct h LEU 42 CO 0.04 0.81 -0.45 -0.26 -0.34 0.00 0.00 178.44 178.25 1sct h PHE 43 N 1.12 0.00 -0.18 1.25 0.04 -0.66 -0.05 116.94 118.45 1sct h PHE 43 Ca 0.28 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.05 1sct h PHE 43 Cb 0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1sct h PHE 43 CO 0.00 0.45 0.09 -0.22 -0.60 0.00 0.00 178.31 178.03 1sct h LYS 44 N 0.00 0.26 0.01 1.51 1.63 -1.20 -3.30 116.57 115.48 1sct h LYS 44 Ca -0.00 -0.03 -0.30 0.00 -0.85 0.00 0.00 60.65 59.46 1sct h LYS 44 Cb 0.99 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.53 1sct h LYS 44 CO 0.06 0.28 -1.72 1.15 -3.45 0.00 0.00 179.45 175.77 1sct h THR 45 N 0.17 0.85 -3.68 1.00 2.02 -1.53 -3.42 112.91 108.32 1sct h THR 45 Ca 0.06 -2.69 -0.65 0.00 0.77 0.00 0.00 66.41 63.90 1sct h THR 45 Cb 0.10 2.44 -0.39 0.00 -1.74 0.00 0.00 68.15 68.55 1sct h THR 45 CO -0.01 0.53 -0.74 -0.55 0.37 0.00 0.00 175.52 175.12 1sct s SER 46 N -6.18 4.64 0.15 4.18 0.15 -0.04 -4.97 113.70 111.63 1sct s SER 46 Ca -0.06 -1.97 -0.17 0.00 0.70 0.00 0.00 55.95 54.46 1sct s SER 46 Cb 0.08 -1.55 0.05 0.00 -1.71 0.00 0.00 66.02 62.89 1sct s SER 46 CO 0.82 -0.35 1.74 1.55 1.20 0.00 0.00 173.24 178.21 1sct h PRO 47 N 7.68 0.22 0.00 5.44 0.13 -1.83 -2.79 132.00 140.86 1sct h PRO 47 Ca -0.08 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1sct h PRO 47 Cb 1.02 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1sct h PRO 47 CO 0.50 0.15 0.00 0.43 -0.23 0.00 0.00 178.00 178.85 1sct n SER 48 N -5.05 0.59 0.18 1.44 7.64 -1.26 -2.45 113.62 114.71 1sct n SER 48 Ca 0.01 0.63 0.02 0.00 1.01 0.00 0.00 58.87 60.54 1sct n SER 48 Cb 0.13 -0.76 0.34 0.00 -1.01 0.00 0.00 64.21 62.91 1sct n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sct h ALA 49 N 2.35 1.34 0.00 -0.43 0.00 -1.83 -2.54 119.26 118.16 1sct h ALA 49 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1sct h ALA 49 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sct h ALA 49 CO 0.00 0.50 -0.21 -0.22 0.00 0.00 0.00 179.25 179.31 1sct h LYS 50 N 0.00 0.00 -0.37 0.00 3.64 -1.61 -0.30 116.57 117.93 1sct h LYS 50 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1sct h LYS 50 Cb 0.70 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1sct h LYS 50 CO 0.05 0.21 0.01 0.78 -2.27 0.00 0.00 179.45 178.23 1sct h GLY 51 N 0.68 0.63 2.00 5.01 0.00 -1.60 -2.58 103.07 107.21 1sct h GLY 51 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1sct h GLY 51 CO 0.03 0.35 -0.45 0.50 0.00 0.00 0.00 176.54 176.97 1sct h LYS 52 N 0.56 0.00 -1.01 4.80 1.79 -1.06 -3.23 116.57 118.41 1sct h LYS 52 Ca 0.12 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.05 1sct h LYS 52 Cb 0.35 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.71 1sct h LYS 52 CO 0.01 0.45 0.69 1.19 -1.08 0.00 0.00 179.45 180.70 1sct n PHE 53 N -3.48 2.97 -0.25 -1.35 3.72 -0.80 -4.70 117.46 113.58 1sct n PHE 53 Ca 0.00 -2.11 0.04 0.00 -0.05 0.00 0.00 57.45 55.33 1sct n PHE 53 Cb 0.58 -1.06 0.13 0.00 -0.94 0.00 0.00 39.48 38.20 1sct n PHE 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sct h ALA 54 N 1.31 0.68 -0.65 4.37 0.00 -1.58 -0.72 119.26 122.66 1sct h ALA 54 Ca 0.60 0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.87 1sct h ALA 54 Cb 2.23 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 20.43 1sct h ALA 54 CO 1.19 -0.42 0.44 -0.09 0.00 0.00 0.00 179.25 180.36 1sct h ARG 55 N 0.07 0.45 0.00 0.00 2.43 -1.91 -1.87 114.38 113.54 1sct h ARG 55 Ca 0.39 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1sct h ARG 55 Cb 0.65 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1sct h ARG 55 CO -0.68 0.30 0.00 1.28 -1.51 0.00 0.00 179.97 179.35 1sct n LEU 56 N -4.48 0.00 0.00 3.80 4.77 -0.28 -4.99 117.00 115.83 1sct n LEU 56 Ca 0.11 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1sct n LEU 56 Cb 0.39 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1sct n LEU 56 CO 0.34 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1sct n GLY 57 N 0.37 0.74 3.56 -0.72 0.00 -0.71 -4.52 105.19 103.90 1sct n GLY 57 Ca 0.09 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1sct n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sct s ASP 58 N -4.00 5.93 0.09 1.61 2.15 -1.26 -4.79 116.67 116.41 1sct s ASP 58 Ca 0.00 -0.90 0.11 0.00 0.43 0.00 0.00 52.55 52.18 1sct s ASP 58 Cb 0.00 -2.56 0.50 0.00 -0.30 0.00 0.00 42.92 40.56 1sct s ASP 58 CO 0.00 -2.00 1.33 0.52 -0.17 0.00 0.00 175.17 174.85 1sct n VAL 59 N 7.13 1.42 0.24 1.11 0.31 -1.26 -1.40 118.33 125.88 1sct n VAL 59 Ca 0.29 0.45 0.14 0.00 -0.01 0.00 0.00 64.34 65.22 1sct n VAL 59 Cb 0.50 -1.38 0.35 0.00 -0.91 0.00 0.00 33.84 32.40 1sct n VAL 59 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1sct h SER 60 N 0.00 0.00 0.64 4.52 0.02 -1.98 -3.19 113.55 113.56 1sct h SER 60 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sct h SER 60 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1sct h SER 60 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1sct n ALA 61 N -2.09 1.85 -0.96 3.77 0.00 -0.49 -4.94 120.51 117.64 1sct n ALA 61 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1sct n ALA 61 Cb 0.45 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1sct n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sct n GLY 62 N 0.41 3.42 0.00 0.00 0.00 -1.21 -1.67 105.19 106.14 1sct n GLY 62 Ca 0.04 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.97 1sct n GLY 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sct n LYS 63 N 14.00 0.13 0.00 1.61 2.85 -1.26 -0.77 118.16 134.72 1sct n LYS 63 Ca 0.00 0.19 0.14 0.00 -1.05 0.00 0.00 58.31 57.59 1sct n LYS 63 Cb 0.00 -1.50 0.60 0.00 -0.65 0.00 0.00 35.03 33.48 1sct n LYS 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1sct n ASP 64 N -1.36 0.37 -4.58 -5.58 8.00 -0.67 -4.60 116.55 108.13 1sct n ASP 64 Ca 0.06 -0.37 -0.39 0.00 0.71 0.00 0.00 54.79 54.79 1sct n ASP 64 Cb 0.13 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 1sct n ASP 64 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1sct s ASN 65 N -2.59 6.08 0.18 -2.24 3.84 0.05 -4.99 114.94 115.26 1sct s ASN 65 Ca 0.25 -0.06 0.12 0.00 0.21 0.00 0.00 52.86 53.38 1sct s ASN 65 Cb 0.20 -2.14 -0.09 0.00 -0.55 0.00 0.00 41.25 38.67 1sct s ASN 65 CO 0.50 -0.13 1.28 0.77 -2.79 0.00 0.00 177.10 176.73 1sct h SER 66 N 8.37 0.00 -0.22 -4.21 4.64 -1.84 -2.19 113.55 118.10 1sct h SER 66 Ca -0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 1sct h SER 66 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1sct h SER 66 CO 0.59 0.75 -0.18 0.11 -0.87 0.00 0.00 176.83 177.23 1sct h LYS 67 N 0.00 0.65 -0.34 4.77 1.57 -1.94 -0.55 116.57 120.72 1sct h LYS 67 Ca -0.04 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.37 1sct h LYS 67 Cb 1.60 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.86 1sct h LYS 67 CO 0.09 0.79 -0.36 1.25 -0.57 0.00 0.00 179.45 180.65 1sct h LEU 68 N 0.58 0.91 -0.18 2.94 5.85 -1.78 -0.55 115.31 123.08 1sct h LEU 68 Ca 0.09 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1sct h LEU 68 Cb 0.63 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1sct h LEU 68 CO 0.04 1.20 0.09 -0.09 -0.34 0.00 0.00 178.44 179.34 1sct h ARG 69 N 0.64 0.26 -0.86 1.25 2.43 -1.12 0.92 114.38 117.90 1sct h ARG 69 Ca 0.05 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1sct h ARG 69 Cb 0.95 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.38 1sct h ARG 69 CO 0.09 0.28 0.51 0.78 -1.51 0.00 0.00 179.97 180.12 1sct h GLY 70 N 0.17 1.34 0.85 2.80 0.00 -1.06 -1.65 103.07 105.51 1sct h GLY 70 Ca 0.06 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1sct h GLY 70 CO -0.01 0.17 -0.35 0.84 0.00 0.00 0.00 176.54 177.20 1sct h HIS 71 N 0.87 0.65 -0.42 5.60 -0.00 -0.56 -2.87 115.15 118.41 1sct h HIS 71 Ca 0.41 -0.24 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1sct h HIS 71 Cb 0.32 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1sct h HIS 71 CO -0.04 0.97 -0.14 0.77 -0.00 0.00 0.00 177.93 179.49 1sct h SER 72 N 0.14 0.77 -0.47 3.26 0.02 -0.44 -1.19 113.55 115.64 1sct h SER 72 Ca 0.00 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 1sct h SER 72 Cb 0.95 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1sct h SER 72 CO 0.08 0.93 -0.11 0.40 -1.14 0.00 0.00 176.83 176.98 1sct h ILE 73 N 0.70 1.27 -0.10 3.27 2.04 -1.39 -2.93 117.51 120.38 1sct h ILE 73 Ca 0.11 -1.24 -0.09 0.00 1.00 0.00 0.00 64.86 64.64 1sct h ILE 73 Cb 0.63 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1sct h ILE 73 CO 0.04 0.43 -0.37 0.74 0.00 0.00 0.00 178.15 178.99 1sct h THR 74 N 0.76 1.29 -0.61 -0.27 2.02 -1.24 -2.71 112.91 112.15 1sct h THR 74 Ca 0.12 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 65.85 1sct h THR 74 Cb 0.66 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 1sct h THR 74 CO 0.05 0.41 0.12 0.25 0.37 0.00 0.00 175.52 176.72 1sct h LEU 75 N 0.17 0.92 -1.87 2.58 7.12 -1.10 -2.19 115.31 120.95 1sct h LEU 75 Ca 0.02 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.82 1sct h LEU 75 Cb 0.73 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1sct h LEU 75 CO 0.06 0.91 -0.04 0.24 -0.13 0.00 0.00 178.44 179.47 1sct h MET 76 N 0.93 0.03 0.00 1.25 2.86 -1.30 -1.13 114.93 117.56 1sct h MET 76 Ca 0.19 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 1sct h MET 76 Cb 0.37 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1sct h MET 76 CO 0.00 0.08 -0.29 1.88 1.06 0.00 0.00 176.91 179.64 1sct h TYR 77 N 0.03 0.00 -0.41 -0.22 0.05 -1.29 -2.18 116.97 112.95 1sct h TYR 77 Ca 0.01 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1sct h TYR 77 Cb 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1sct h TYR 77 CO 0.00 0.29 -0.27 0.00 -1.05 0.00 0.00 178.16 177.13 1sct h ALA 78 N 1.71 0.59 -0.56 3.88 0.00 -0.89 -1.07 119.26 122.92 1sct h ALA 78 Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1sct h ALA 78 Cb 1.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1sct h ALA 78 CO 0.04 0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 179.77 1sct h LEU 79 N 0.73 1.02 -1.25 0.00 3.38 -1.38 -1.21 115.31 116.60 1sct h LEU 79 Ca 0.08 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1sct h LEU 79 Cb 0.85 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1sct h LEU 79 CO 0.07 1.10 0.49 -0.61 0.09 0.00 0.00 178.44 179.59 1sct h GLN 80 N 0.93 1.00 -0.34 1.13 5.75 -1.19 0.03 115.11 122.41 1sct h GLN 80 Ca 0.15 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1sct h GLN 80 Cb 0.62 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1sct h GLN 80 CO 0.04 0.67 0.13 -0.97 -2.65 0.00 0.00 178.83 176.05 1sct h ASN 81 N 1.03 0.48 -0.19 -0.69 -0.73 -0.72 0.31 115.58 115.06 1sct h ASN 81 Ca 0.28 -0.17 0.02 0.00 1.87 0.00 0.00 56.30 58.29 1sct h ASN 81 Cb -0.11 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 1sct h ASN 81 CO -0.06 0.52 0.05 -0.26 -0.37 0.00 0.00 177.43 177.31 1sct h PHE 82 N 0.41 0.08 -0.98 0.67 0.04 -0.35 -2.28 116.94 114.52 1sct h PHE 82 Ca 0.11 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.95 1sct h PHE 82 Cb 0.20 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 1sct h PHE 82 CO -0.00 0.03 0.64 0.28 -0.60 0.00 0.00 178.31 178.66 1sct h VAL 83 N 0.13 1.13 0.00 -0.55 2.07 -0.72 -1.97 116.25 116.34 1sct h VAL 83 Ca 0.08 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1sct h VAL 83 Cb 0.07 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1sct h VAL 83 CO -0.10 0.22 0.00 0.47 0.02 0.00 0.00 177.57 178.18 1sct n ASP 84 N -4.47 0.00 -1.40 0.57 8.00 0.07 -3.22 116.55 116.10 1sct n ASP 84 Ca 0.14 0.43 0.11 0.00 0.71 0.00 0.00 54.79 56.18 1sct n ASP 84 Cb 0.14 -0.47 0.33 0.00 -0.02 0.00 0.00 41.12 41.09 1sct n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sct n ALA 85 N -1.47 2.61 0.50 2.24 0.00 -0.74 -4.59 120.51 119.05 1sct n ALA 85 Ca 0.07 -1.34 0.11 0.00 0.00 0.00 0.00 53.44 52.28 1sct n ALA 85 Cb 0.28 -0.97 0.45 0.00 0.00 0.00 0.00 19.45 19.21 1sct n ALA 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sct n LEU 86 N 1.44 0.53 -1.17 0.00 4.77 -1.20 -2.58 117.00 118.78 1sct n LEU 86 Ca 0.24 0.61 0.10 0.00 -0.03 0.00 0.00 56.01 56.94 1sct n LEU 86 Cb 0.69 -0.51 0.27 0.00 -2.33 0.00 0.00 43.42 41.54 1sct n LEU 86 CO 0.19 -0.40 0.73 0.47 -1.33 0.00 0.00 177.39 177.05 1sct n ASP 87 N -2.06 3.65 -3.46 -1.43 8.00 -1.26 -4.45 116.55 115.54 1sct n ASP 87 Ca 0.03 -1.99 -0.18 0.00 0.71 0.00 0.00 54.79 53.37 1sct n ASP 87 Cb 0.26 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 40.85 1sct n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sct s ASP 88 N -1.07 1.48 0.35 -2.24 -1.08 -1.07 -5.05 116.67 108.00 1sct s ASP 88 Ca 0.42 -0.37 0.03 0.00 -0.52 0.00 0.00 52.55 52.11 1sct s ASP 88 Cb 0.22 0.42 0.65 0.00 -1.46 0.00 0.00 42.92 42.76 1sct s ASP 88 CO 0.29 -0.34 1.98 0.58 0.52 0.00 0.00 175.17 178.20 1sct h VAL 89 N 6.30 1.11 -0.27 1.11 2.07 -1.89 -1.06 116.25 123.62 1sct h VAL 89 Ca -0.17 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 1sct h VAL 89 Cb 1.13 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1sct h VAL 89 CO 0.30 0.16 -0.37 -0.33 0.02 0.00 0.00 177.57 177.34 1sct h GLU 90 N 0.85 0.62 -0.18 1.57 4.39 -1.96 -0.67 114.58 119.21 1sct h GLU 90 Ca 0.28 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1sct h GLU 90 Cb 0.05 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1sct h GLU 90 CO -0.08 0.90 -0.03 -0.09 -1.16 0.00 0.00 179.01 178.55 1sct h ARG 91 N 0.52 0.33 -0.09 2.33 2.43 -1.66 -1.20 114.38 117.05 1sct h ARG 91 Ca 0.05 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1sct h ARG 91 Cb 0.88 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1sct h ARG 91 CO 0.08 0.59 0.00 1.25 -1.51 0.00 0.00 179.97 180.38 1sct h LEU 92 N 0.05 -0.03 0.03 3.80 6.46 -1.10 -2.35 115.31 122.16 1sct h LEU 92 Ca 0.05 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1sct h LEU 92 Cb 0.46 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 1sct h LEU 92 CO 0.02 -0.00 -0.37 0.11 -0.62 0.00 0.00 178.44 177.58 1sct h LYS 93 N 0.03 -0.52 -0.02 1.25 1.57 -1.08 0.12 116.57 117.92 1sct h LYS 93 Ca 0.04 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1sct h LYS 93 Cb 0.05 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1sct h LYS 93 CO -0.07 -0.35 -0.32 0.00 -0.57 0.00 0.00 179.45 178.14 1sct h VAL 95 N 0.04 1.64 -0.70 0.00 -1.51 -1.10 -2.04 116.25 112.58 1sct h VAL 95 Ca 0.00 -3.12 -0.02 0.00 -1.23 0.00 0.00 66.70 62.34 1sct h VAL 95 Cb 0.59 2.70 -0.03 0.00 -2.13 0.00 0.00 31.29 32.42 1sct h VAL 95 CO 0.04 0.89 0.37 0.58 -1.23 0.00 0.00 177.57 178.23 1sct h VAL 96 N 0.01 1.22 -0.18 7.19 2.07 -0.32 -2.21 116.25 124.03 1sct h VAL 96 Ca -0.02 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1sct h VAL 96 Cb 1.64 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1sct h VAL 96 CO 0.13 0.25 0.10 -0.08 0.02 0.00 0.00 177.57 177.99 1sct h GLU 97 N 0.97 0.25 -0.32 1.57 4.57 -0.86 -0.07 114.58 120.68 1sct h GLU 97 Ca 0.25 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1sct h GLU 97 Cb 0.06 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1sct h GLU 97 CO -0.04 0.23 0.14 -0.22 -1.18 0.00 0.00 179.01 177.94 1sct h LYS 98 N 0.20 0.47 0.00 1.92 1.63 -1.19 -2.37 116.57 117.23 1sct h LYS 98 Ca 0.06 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 1sct h LYS 98 Cb 0.05 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1sct h LYS 98 CO -0.01 0.46 -0.29 0.74 -3.45 0.00 0.00 179.45 176.90 1sct h PHE 99 N 0.37 0.00 0.11 1.91 0.04 -1.20 -2.86 116.94 115.32 1sct h PHE 99 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1sct h PHE 99 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1sct h PHE 99 CO -0.01 0.29 -0.05 0.00 -0.60 0.00 0.00 178.31 177.94 1sct h ALA 100 N 1.71 -0.15 -0.51 2.45 0.00 -0.78 -2.87 119.26 119.11 1sct h ALA 100 Ca -0.00 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1sct h ALA 100 Cb 0.86 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 1sct h ALA 100 CO 0.04 -0.45 -0.12 0.28 0.00 0.00 0.00 179.25 179.00 1sct h VAL 101 N -0.41 0.50 -0.69 0.00 2.07 -1.35 0.74 116.25 117.11 1sct h VAL 101 Ca -0.01 -0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1sct h VAL 101 Cb 0.34 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1sct h VAL 101 CO 0.02 0.00 0.47 0.78 0.02 0.00 0.00 177.57 178.87 1sct h ASN 102 N 0.01 0.27 0.62 0.57 -0.26 -1.40 -1.08 115.58 114.31 1sct h ASN 102 Ca 0.24 0.02 -0.27 0.00 -0.56 0.00 0.00 56.30 55.73 1sct h ASN 102 Cb 0.37 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.56 1sct h ASN 102 CO -0.51 0.14 -1.45 0.45 -1.06 0.00 0.00 177.43 174.99 1sct h HIS 103 N 0.29 0.15 -0.39 1.19 3.86 -0.95 -3.09 115.15 116.22 1sct h HIS 103 Ca 0.34 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.35 1sct h HIS 103 Cb 0.90 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1sct h HIS 103 CO -0.00 1.14 -0.13 0.82 0.86 0.00 0.00 177.93 180.62 1sct h ILE 104 N 0.02 1.25 -0.57 2.45 2.04 -0.21 0.52 117.51 123.02 1sct h ILE 104 Ca -0.20 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 1sct h ILE 104 Cb 1.94 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1sct h ILE 104 CO 0.12 0.39 0.22 0.78 0.00 0.00 0.00 178.15 179.66 1sct h ASN 105 N 0.63 0.75 -0.36 1.72 2.35 -1.27 -0.15 115.58 119.25 1sct h ASN 105 Ca 0.11 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1sct h ASN 105 Cb 0.58 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1sct h ASN 105 CO 0.04 0.68 0.00 0.54 -1.65 0.00 0.00 177.43 177.04 1sct n ARG 106 N -4.32 3.06 -4.21 0.81 3.00 -0.99 -4.93 116.66 109.08 1sct n ARG 106 Ca 0.05 -1.80 -0.39 0.00 -0.01 0.00 0.00 57.85 55.70 1sct n ARG 106 Cb 0.17 -1.84 -0.04 0.00 0.00 0.00 0.00 32.46 30.75 1sct n ARG 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1sct n GLN 107 N 0.44 -0.62 -3.40 5.56 3.00 -0.07 -4.97 117.38 117.31 1sct n GLN 107 Ca 0.16 0.08 -0.38 0.00 -0.01 0.00 0.00 57.00 56.85 1sct n GLN 107 Cb 0.73 -3.06 -0.07 0.00 0.00 0.00 0.00 30.24 27.84 1sct n GLN 107 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1sct s ILE 108 N -3.97 5.22 0.54 5.09 -1.09 0.14 -5.00 121.20 122.13 1sct s ILE 108 Ca 0.24 0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 59.38 1sct s ILE 108 Cb -0.13 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1sct s ILE 108 CO 0.99 0.31 0.80 -0.94 -1.23 0.00 0.00 174.94 174.87 1sct s SER 109 N 0.75 5.52 0.21 3.58 1.04 -1.26 -4.45 113.70 119.09 1sct s SER 109 Ca 0.21 0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.89 1sct s SER 109 Cb -0.14 -1.37 0.27 0.00 0.10 0.00 0.00 66.02 64.88 1sct s SER 109 CO 0.07 -1.01 1.76 0.00 0.98 0.00 0.00 173.24 175.05 1sct h ALA 110 N 0.05 0.82 -0.32 5.32 0.00 -1.88 -0.12 119.26 123.13 1sct h ALA 110 Ca -0.45 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1sct h ALA 110 Cb 1.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1sct h ALA 110 CO 0.57 -0.13 0.19 -0.44 0.00 0.00 0.00 179.25 179.44 1sct h ASP 111 N 0.48 0.39 -0.07 0.00 3.32 -1.94 -1.47 116.42 117.12 1sct h ASP 111 Ca 0.31 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 1sct h ASP 111 Cb 0.34 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1sct h ASP 111 CO -0.27 0.34 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.01 1sct h GLU 112 N 0.41 0.50 -0.50 3.56 5.08 -1.78 -2.82 114.58 119.02 1sct h GLU 112 Ca 0.11 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1sct h GLU 112 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1sct h GLU 112 CO -0.02 0.71 -0.07 0.35 -1.00 0.00 0.00 179.01 178.98 1sct h PHE 113 N 0.44 0.98 0.00 4.33 3.04 -0.72 -2.59 116.94 122.42 1sct h PHE 113 Ca 0.07 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.84 1sct h PHE 113 Cb 0.66 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1sct h PHE 113 CO 0.02 0.92 0.00 0.41 -2.02 0.00 0.00 178.31 177.64 1sct n GLY 114 N -0.44 -0.86 0.00 2.40 0.00 -0.58 -2.63 105.19 103.08 1sct n GLY 114 Ca 0.02 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1sct n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sct n GLU 115 N -2.18 0.34 0.05 1.61 1.02 -0.98 -2.39 120.64 118.11 1sct n GLU 115 Ca -0.01 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 1sct n GLU 115 Cb 0.05 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.22 1sct n GLU 115 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1sct n ILE 116 N -1.20 0.29 -0.09 -3.67 0.13 -1.08 -4.21 119.36 109.54 1sct n ILE 116 Ca 0.10 -0.20 -0.13 0.00 -1.10 0.00 0.00 62.75 61.42 1sct n ILE 116 Cb 0.11 -0.14 -0.05 0.00 -0.84 0.00 0.00 39.64 38.72 1sct n ILE 116 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1sct h VAL 117 N 0.00 1.31 -0.13 9.51 2.07 -1.73 -0.21 116.25 127.07 1sct h VAL 117 Ca 0.00 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.21 1sct h VAL 117 Cb 0.67 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1sct h VAL 117 CO 0.00 0.42 -0.05 1.23 0.02 0.00 0.00 177.57 179.19 1sct h GLY 118 N 0.31 0.07 -0.14 2.17 0.00 -1.80 -1.50 103.07 102.19 1sct h GLY 118 Ca 0.05 0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.59 1sct h GLY 118 CO 0.05 -0.06 0.08 -2.55 0.00 0.00 0.00 176.54 174.06 1sct h PRO 119 N -0.03 0.17 -0.46 4.80 0.11 -1.70 -2.54 132.00 132.36 1sct h PRO 119 Ca 0.07 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1sct h PRO 119 Cb 0.13 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1sct h PRO 119 CO -0.15 0.11 -0.00 1.25 -0.21 0.00 0.00 178.00 179.00 1sct h LEU 120 N 0.17 0.73 -0.39 2.35 5.85 -0.68 -1.48 115.31 121.87 1sct h LEU 120 Ca 0.39 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1sct h LEU 120 Cb 0.66 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1sct h LEU 120 CO -0.56 0.80 0.17 -0.09 -0.34 0.00 0.00 178.44 178.42 1sct h ARG 121 N 0.71 0.57 -0.58 1.25 2.43 -0.88 -0.53 114.38 117.35 1sct h ARG 121 Ca 0.14 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1sct h ARG 121 Cb 0.44 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1sct h ARG 121 CO 0.02 0.53 0.05 1.96 -1.51 0.00 0.00 179.97 181.02 1sct h GLN 122 N 0.48 0.96 -0.23 0.20 1.08 -1.21 -1.18 115.11 115.21 1sct h GLN 122 Ca 0.13 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 1sct h GLN 122 Cb 0.16 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1sct h GLN 122 CO -0.01 0.91 0.04 1.15 -0.95 0.00 0.00 178.83 179.97 1sct h THR 123 N 0.89 1.22 -0.84 -0.54 2.02 -1.07 -1.55 112.91 113.05 1sct h THR 123 Ca 0.18 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1sct h THR 123 Cb 0.45 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 1sct h THR 123 CO 0.02 0.23 0.56 -0.07 0.37 0.00 0.00 175.52 176.62 1sct h LEU 124 N 0.18 0.91 -0.91 2.58 3.38 -0.97 -1.65 115.31 118.82 1sct h LEU 124 Ca 0.07 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1sct h LEU 124 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1sct h LEU 124 CO 0.00 0.62 -0.50 0.50 0.09 0.00 0.00 178.44 179.15 1sct h LYS 125 N 1.05 0.10 -0.06 1.13 3.64 -0.90 0.80 116.57 122.32 1sct h LYS 125 Ca 0.33 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.48 1sct h LYS 125 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1sct h LYS 125 CO -0.10 0.58 -0.75 0.00 -2.27 0.00 0.00 179.45 176.91 1sct h ALA 126 N 1.41 0.59 0.00 5.00 0.00 -0.83 -2.84 119.26 122.58 1sct h ALA 126 Ca 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.10 1sct h ALA 126 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1sct h ALA 126 CO 0.07 0.78 -1.75 0.54 0.00 0.00 0.00 179.25 178.89 1sct n ARG 127 N -3.82 0.64 0.00 0.00 5.12 -0.66 -4.38 116.66 113.57 1sct n ARG 127 Ca -0.04 0.10 0.11 0.00 -1.93 0.00 0.00 57.85 56.09 1sct n ARG 127 Cb 0.72 -1.69 0.11 0.00 -1.16 0.00 0.00 32.46 30.43 1sct n ARG 127 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1sct n MET 128 N -2.76 0.04 0.00 5.56 2.81 0.25 -4.99 117.12 118.03 1sct n MET 128 Ca -0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1sct n MET 128 Cb 0.88 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 1sct n MET 128 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sct n GLY 129 N 1.48 3.74 0.00 3.03 0.00 -1.07 -1.42 105.19 110.95 1sct n GLY 129 Ca 0.05 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1sct n GLY 129 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sct n ASN 130 N 6.29 0.00 -0.55 1.61 3.02 -1.26 -2.01 115.26 122.36 1sct n ASN 130 Ca 0.00 -0.77 0.05 0.00 -0.03 0.00 0.00 54.58 53.83 1sct n ASN 130 Cb 0.00 -0.04 0.14 0.00 -0.61 0.00 0.00 39.78 39.27 1sct n ASN 130 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1sct n TYR 131 N -1.04 0.44 -2.04 3.10 4.01 -0.50 -5.00 117.16 116.12 1sct n TYR 131 Ca 0.20 -0.56 -0.39 0.00 -0.16 0.00 0.00 57.90 56.99 1sct n TYR 131 Cb 0.12 -0.07 -0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1sct n TYR 131 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1sct s PHE 132 N -1.29 2.76 -0.12 -0.72 5.36 -0.85 -4.98 117.98 118.13 1sct s PHE 132 Ca 0.22 1.41 -0.21 0.00 -0.96 0.00 0.00 56.93 57.39 1sct s PHE 132 Cb 0.13 -3.66 0.05 0.00 -0.34 0.00 0.00 43.02 39.20 1sct s PHE 132 CO 0.12 -2.14 0.53 0.16 -1.46 0.00 0.00 175.22 172.43 1sct s ASP 133 N -0.81 -0.51 0.48 6.13 -4.77 -1.26 -5.04 116.67 110.90 1sct s ASP 133 Ca 0.59 0.78 0.22 0.00 -3.30 0.00 0.00 52.55 50.85 1sct s ASP 133 Cb -0.38 0.79 1.26 0.00 -1.09 0.00 0.00 42.92 43.51 1sct s ASP 133 CO 0.48 -0.35 1.94 -0.08 0.70 0.00 0.00 175.17 177.85 1sct h GLU 134 N 4.39 0.18 -0.13 2.11 4.57 -2.01 -2.27 114.58 121.42 1sct h GLU 134 Ca -0.28 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 57.80 1sct h GLU 134 Cb 1.16 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1sct h GLU 134 CO 0.27 0.12 -0.32 -0.44 -1.18 0.00 0.00 179.01 177.46 1sct h ASP 135 N 0.19 0.26 -0.49 1.04 3.32 -1.98 -1.76 116.42 117.00 1sct h ASP 135 Ca 0.35 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1sct h ASP 135 Cb 1.10 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1sct h ASP 135 CO -0.06 0.58 0.06 0.74 -1.72 0.00 0.00 179.24 178.83 1sct h THR 136 N 0.23 1.25 -0.98 0.35 2.02 -1.77 0.20 112.91 114.21 1sct h THR 136 Ca 0.03 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 66.26 1sct h THR 136 Cb 0.68 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1sct h THR 136 CO 0.05 0.34 0.64 0.58 0.37 0.00 0.00 175.52 177.50 1sct h VAL 137 N 0.69 1.25 -0.27 3.16 2.07 -1.43 -0.71 116.25 121.01 1sct h VAL 137 Ca 0.15 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 1sct h VAL 137 Cb 0.42 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1sct h VAL 137 CO 0.01 0.25 -0.35 0.00 0.02 0.00 0.00 177.57 177.51 1sct h ALA 138 N 1.35 0.89 -0.11 1.67 0.00 -0.89 -0.84 119.26 121.33 1sct h ALA 138 Ca 0.36 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sct h ALA 138 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1sct h ALA 138 CO -0.08 0.63 0.06 0.00 0.00 0.00 0.00 179.25 179.86 1sct h ALA 139 N 1.12 0.14 -0.80 0.00 0.00 0.84 -2.26 119.26 118.29 1sct h ALA 139 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1sct h ALA 139 Cb 0.84 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1sct h ALA 139 CO 0.07 -0.32 0.36 -1.49 0.00 0.00 0.00 179.25 177.87 1sct h TRP 140 N 0.09 1.18 -0.42 0.00 4.06 -1.08 -2.67 115.95 117.10 1sct h TRP 140 Ca 0.04 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 1sct h TRP 140 Cb 0.07 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 27.85 1sct h TRP 140 CO -0.04 0.86 0.21 0.00 -3.56 0.00 0.00 178.44 175.91 1sct h ALA 141 N 1.24 1.59 -0.35 1.49 0.00 -0.98 -1.81 119.26 120.44 1sct h ALA 141 Ca 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1sct h ALA 141 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1sct h ALA 141 CO -0.03 0.34 -0.01 0.77 0.00 0.00 0.00 179.25 180.32 1sct h SER 142 N 0.58 0.52 -0.01 0.00 0.02 -1.05 -1.26 113.55 112.34 1sct h SER 142 Ca 0.15 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1sct h SER 142 Cb 0.05 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1sct h SER 142 CO -0.02 0.59 0.00 -0.07 -1.14 0.00 0.00 176.83 176.19 1sct h LEU 143 N 0.53 0.01 -1.28 5.07 3.38 -1.34 -3.03 115.31 118.64 1sct h LEU 143 Ca 0.11 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1sct h LEU 143 Cb 0.35 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1sct h LEU 143 CO 0.01 0.30 0.52 0.58 0.09 0.00 0.00 178.44 179.95 1sct h VAL 144 N -0.27 1.04 -0.57 1.22 2.07 -0.98 -2.13 116.25 116.63 1sct h VAL 144 Ca 0.00 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1sct h VAL 144 Cb 0.30 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1sct h VAL 144 CO 0.00 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.04 1sct h ALA 145 N 1.57 1.44 -0.32 1.67 0.00 -1.19 0.00 119.26 122.42 1sct h ALA 145 Ca 0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1sct h ALA 145 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sct h ALA 145 CO -0.12 0.45 -0.10 0.28 0.00 0.00 0.00 179.25 179.77 1sct h VAL 146 N 0.80 1.23 -0.02 0.00 2.07 -1.26 -0.57 116.25 118.50 1sct h VAL 146 Ca 0.20 -0.99 -0.25 0.00 0.82 0.00 0.00 66.70 66.48 1sct h VAL 146 Cb 0.06 1.09 0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1sct h VAL 146 CO -0.03 0.33 -0.96 0.58 0.02 0.00 0.00 177.57 177.51 1sct h VAL 147 N 0.50 1.30 -0.06 2.57 2.07 -1.37 -3.03 116.25 118.23 1sct h VAL 147 Ca 0.09 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1sct h VAL 147 Cb 0.47 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1sct h VAL 147 CO 0.03 0.67 0.04 1.56 0.02 0.00 0.00 177.57 179.89 1sct h GLN 148 N 0.34 0.08 0.00 1.57 4.20 -0.53 -0.49 115.11 120.29 1sct h GLN 148 Ca -0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1sct h GLN 148 Cb 1.61 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1sct h GLN 148 CO 0.19 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.40 1sct n ALA 149 N -2.53 1.99 0.03 3.87 0.00 -0.26 -2.41 120.51 121.19 1sct n ALA 149 Ca -0.02 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1sct n ALA 149 Cb 0.09 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 18.36 1sct n ALA 149 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sct n SER 150 N -1.24 2.54 -0.94 0.00 3.41 -0.20 -4.41 113.62 112.77 1sct n SER 150 Ca 0.09 -1.82 0.12 0.00 -0.26 0.00 0.00 58.87 57.01 1sct n SER 150 Cb 0.13 -0.15 0.12 0.00 -0.26 0.00 0.00 64.21 64.05 1sct n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06