#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 0.50 -0.99 3.15 2.07 -1.87 -2.73 116.25 116.39 1sct h VAL 3 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1sct h VAL 3 Cb 0.00 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1sct h VAL 3 CO 0.00 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.21 1sct h ALA 4 N 1.14 1.48 0.12 1.67 0.00 -1.98 0.44 119.26 122.14 1sct h ALA 4 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1sct h ALA 4 Cb 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sct h ALA 4 CO -0.41 0.23 -0.06 1.49 0.00 0.00 0.00 179.25 180.50 1sct h GLU 5 N 0.99 -0.16 -0.25 0.00 4.81 -1.94 -1.16 114.58 116.88 1sct h GLU 5 Ca 0.48 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.55 1sct h GLU 5 Cb 0.45 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1sct h GLU 5 CO -0.26 0.12 -0.53 -0.07 -0.73 0.00 0.00 179.01 177.54 1sct h LEU 6 N -0.44 0.80 -0.44 1.64 3.38 -1.09 -0.29 115.31 118.88 1sct h LEU 6 Ca -0.02 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1sct h LEU 6 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1sct h LEU 6 CO 0.03 1.18 0.02 0.00 0.09 0.00 0.00 178.44 179.75 1sct h ALA 7 N 0.84 0.59 -0.06 1.53 0.00 -0.99 -2.02 119.26 119.15 1sct h ALA 7 Ca 0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1sct h ALA 7 Cb 1.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1sct h ALA 7 CO 0.11 0.36 -0.25 -0.97 0.00 0.00 0.00 179.25 178.51 1sct h ASN 8 N 0.61 0.09 -0.00 0.00 -1.24 -1.00 -1.59 115.58 112.45 1sct h ASN 8 Ca 0.13 -0.02 -0.19 0.00 0.71 0.00 0.00 56.30 56.93 1sct h ASN 8 Cb 0.46 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 1sct h ASN 8 CO 0.02 0.34 -0.66 0.00 -1.29 0.00 0.00 177.43 175.85 1sct h ALA 9 N 1.67 0.54 -0.10 1.57 0.00 -0.64 -2.72 119.26 119.57 1sct h ALA 9 Ca 0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 1sct h ALA 9 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sct h ALA 9 CO 0.03 0.71 -0.32 0.28 0.00 0.00 0.00 179.25 179.96 1sct h VAL 10 N 0.45 1.39 -0.08 0.00 2.07 -1.10 -2.72 116.25 116.27 1sct h VAL 10 Ca -0.02 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 1sct h VAL 10 Cb 1.24 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1sct h VAL 10 CO 0.13 0.48 -0.22 0.58 0.02 0.00 0.00 177.57 178.56 1sct h VAL 11 N -0.05 1.20 -0.00 2.57 2.07 -1.36 -2.48 116.25 118.19 1sct h VAL 11 Ca -0.01 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1sct h VAL 11 Cb 0.94 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1sct h VAL 11 CO 0.07 0.27 -0.06 -1.20 0.02 0.00 0.00 177.57 176.67 1sct n SER 12 N -4.22 0.15 -4.24 0.57 7.64 -1.03 -4.65 113.62 107.85 1sct n SER 12 Ca -0.01 -0.12 -0.43 0.00 1.01 0.00 0.00 58.87 59.32 1sct n SER 12 Cb 0.31 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.22 1sct n SER 12 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1sct s ASN 13 N -2.67 6.25 0.30 6.43 3.84 -0.94 -4.90 114.94 123.26 1sct s ASN 13 Ca 0.24 -2.91 0.06 0.00 0.21 0.00 0.00 52.86 50.46 1sct s ASN 13 Cb 0.20 -2.07 0.78 0.00 -0.55 0.00 0.00 41.25 39.61 1sct s ASN 13 CO 0.50 -0.45 1.70 0.00 -2.79 0.00 0.00 177.10 176.05 1sct h ALA 14 N 7.29 1.53 -0.65 1.71 0.00 -1.84 -0.73 119.26 126.57 1sct h ALA 14 Ca 0.08 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1sct h ALA 14 Cb 0.98 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1sct h ALA 14 CO 0.77 -0.35 0.24 -0.44 0.00 0.00 0.00 179.25 179.47 1sct h ASP 15 N 0.42 0.91 -0.21 0.00 3.32 -1.97 -1.22 116.42 117.67 1sct h ASP 15 Ca 0.59 -0.18 -0.17 0.00 0.02 0.00 0.00 57.03 57.28 1sct h ASP 15 Cb 1.14 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1sct h ASP 15 CO -0.53 0.84 -0.51 1.56 -1.72 0.00 0.00 179.24 178.89 1sct h GLN 16 N 0.92 0.79 -0.79 3.56 4.20 -1.60 -2.99 115.11 119.21 1sct h GLN 16 Ca 0.21 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 1sct h GLN 16 Cb 0.23 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1sct h GLN 16 CO -0.01 1.11 0.31 0.87 -0.67 0.00 0.00 178.83 180.43 1sct h LYS 17 N 0.62 1.18 -0.99 1.46 1.57 -0.89 -1.90 116.57 117.62 1sct h LYS 17 Ca 0.02 -0.21 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1sct h LYS 17 Cb 1.09 -0.19 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 1sct h LYS 17 CO 0.11 0.95 0.63 -0.44 -0.57 0.00 0.00 179.45 180.14 1sct h ASP 18 N 1.14 0.96 -0.17 0.86 3.32 -1.08 -1.63 116.42 119.82 1sct h ASP 18 Ca 0.26 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.18 1sct h ASP 18 Cb 0.22 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1sct h ASP 18 CO -0.02 0.56 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.44 1sct h LEU 19 N 1.05 0.77 -0.40 1.55 3.38 -1.39 -0.26 115.31 120.01 1sct h LEU 19 Ca 0.46 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1sct h LEU 19 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1sct h LEU 19 CO -0.22 1.23 0.18 -0.07 0.09 0.00 0.00 178.44 179.65 1sct h LEU 20 N 0.35 0.54 -0.41 1.67 3.38 -1.02 0.67 115.31 120.49 1sct h LEU 20 Ca -0.02 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1sct h LEU 20 Cb 1.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1sct h LEU 20 CO 0.12 0.54 -0.40 0.03 0.09 0.00 0.00 178.44 178.81 1sct h ARG 21 N 0.51 0.91 -0.15 1.13 3.08 -1.26 0.93 114.38 119.52 1sct h ARG 21 Ca 0.14 -0.48 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 1sct h ARG 21 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1sct h ARG 21 CO -0.01 1.13 -0.38 1.98 -1.07 0.00 0.00 179.97 181.62 1sct h MET 22 N 0.74 0.53 0.00 0.04 4.05 -0.85 -2.05 114.93 117.38 1sct h MET 22 Ca 0.06 -0.36 -0.11 0.00 -0.28 0.00 0.00 59.70 59.01 1sct h MET 22 Cb 0.99 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.83 1sct h MET 22 CO 0.10 0.98 -0.51 0.66 0.23 0.00 0.00 176.91 178.36 1sct h SER 23 N 0.16 0.00 -0.27 1.39 4.64 -0.86 -2.76 113.55 115.85 1sct h SER 23 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1sct h SER 23 Cb 0.98 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1sct h SER 23 CO 0.08 0.51 -0.12 -0.25 -0.87 0.00 0.00 176.83 176.19 1sct h TRP 24 N 0.00 0.74 -0.80 4.77 2.91 -0.64 0.01 115.95 122.93 1sct h TRP 24 Ca -0.01 -0.13 0.06 0.00 1.13 0.00 0.00 58.89 59.94 1sct h TRP 24 Cb 1.01 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.41 1sct h TRP 24 CO 0.00 0.77 0.53 0.78 -1.03 0.00 0.00 178.44 179.48 1sct h GLY 25 N 0.97 1.12 1.01 2.65 0.00 -1.07 0.25 103.07 108.00 1sct h GLY 25 Ca 0.11 -0.36 -0.24 0.00 0.00 0.00 0.00 47.33 46.84 1sct h GLY 25 CO 0.04 0.27 -1.01 -2.08 0.00 0.00 0.00 176.54 173.75 1sct h VAL 26 N 0.90 1.36 -0.23 4.60 2.07 -1.45 -3.21 116.25 120.29 1sct h VAL 26 Ca 0.34 -2.39 -0.08 0.00 0.82 0.00 0.00 66.70 65.39 1sct h VAL 26 Cb 0.20 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1sct h VAL 26 CO -0.12 0.71 -0.21 -0.07 0.02 0.00 0.00 177.57 177.91 1sct h LEU 27 N 0.05 0.40 -0.70 2.57 3.38 -0.49 -3.03 115.31 117.49 1sct h LEU 27 Ca -0.16 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1sct h LEU 27 Cb 1.73 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1sct h LEU 27 CO 0.19 0.62 0.00 -1.54 0.09 0.00 0.00 178.44 177.81 1sct n SER 28 N -4.16 1.07 -0.31 -0.43 3.41 0.83 -3.94 113.62 110.09 1sct n SER 28 Ca -0.00 -1.42 -0.03 0.00 -0.26 0.00 0.00 58.87 57.16 1sct n SER 28 Cb 0.36 -0.02 0.10 0.00 -0.26 0.00 0.00 64.21 64.39 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 1.61 1.18 -3.02 -3.33 2.07 -1.53 -3.31 116.25 109.92 1sct h VAL 29 Ca 0.00 -0.38 -0.60 0.00 0.82 0.00 0.00 66.70 66.53 1sct h VAL 29 Cb 0.34 -0.03 -0.40 0.00 -1.52 0.00 0.00 31.29 29.68 1sct h VAL 29 CO 0.00 0.20 -0.75 -0.62 0.02 0.00 0.00 177.57 176.43 1sct s ASP 30 N -5.93 3.72 0.13 0.57 2.15 -1.25 -4.99 116.67 111.07 1sct s ASP 30 Ca -0.13 -2.38 -0.15 0.00 0.43 0.00 0.00 52.55 50.32 1sct s ASP 30 Cb 0.17 -0.98 -0.00 0.00 -0.30 0.00 0.00 42.92 41.80 1sct s ASP 30 CO 0.79 -0.30 1.62 0.24 -0.17 0.00 0.00 175.17 177.35 1sct h MET 31 N 7.05 0.70 -0.09 4.34 2.86 -1.78 0.35 114.93 128.36 1sct h MET 31 Ca -0.03 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1sct h MET 31 Cb 0.95 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1sct h MET 31 CO 0.47 0.73 0.00 1.49 1.06 0.00 0.00 176.91 180.66 1sct h GLU 32 N 0.56 0.16 -0.35 1.72 4.81 -1.92 -0.97 114.58 118.59 1sct h GLU 32 Ca 0.13 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1sct h GLU 32 Cb 0.37 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1sct h GLU 32 CO 0.01 0.41 -0.25 0.78 -0.73 0.00 0.00 179.01 179.23 1sct h GLY 33 N -0.11 0.86 1.61 1.92 0.00 -1.93 -0.66 103.07 104.78 1sct h GLY 33 Ca 0.03 -0.82 -0.11 0.00 0.00 0.00 0.00 47.33 46.42 1sct h GLY 33 CO 0.00 0.75 -0.36 -0.84 0.00 0.00 0.00 176.54 176.09 1sct h THR 34 N 0.58 1.29 -0.26 4.70 2.02 -0.98 -2.12 112.91 118.14 1sct h THR 34 Ca 0.07 -1.46 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 1sct h THR 34 Cb 0.81 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1sct h THR 34 CO 0.07 0.45 0.07 1.23 0.37 0.00 0.00 175.52 177.70 1sct h GLY 35 N 1.10 0.46 1.40 2.16 0.00 -0.94 -1.42 103.07 105.83 1sct h GLY 35 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1sct h GLY 35 CO 0.06 0.26 0.31 1.41 0.00 0.00 0.00 176.54 178.59 1sct h LEU 36 N 0.26 0.70 -0.41 3.11 4.07 -1.10 -2.25 115.31 119.68 1sct h LEU 36 Ca 0.08 -0.05 -0.17 0.00 0.08 0.00 0.00 57.88 57.82 1sct h LEU 36 Cb 0.28 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1sct h LEU 36 CO 0.00 0.57 -0.79 -0.03 -1.08 0.00 0.00 178.44 177.10 1sct h MET 37 N 0.79 0.11 -0.45 1.13 4.05 -0.89 -2.34 114.93 117.34 1sct h MET 37 Ca 0.20 -0.11 -0.14 0.00 -0.28 0.00 0.00 59.70 59.37 1sct h MET 37 Cb 0.02 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1sct h MET 37 CO -0.03 0.84 -0.28 1.25 0.23 0.00 0.00 176.91 178.92 1sct h LEU 38 N 0.06 1.01 -0.38 3.39 5.85 -0.95 -1.78 115.31 122.52 1sct h LEU 38 Ca -0.02 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 1sct h LEU 38 Cb 1.39 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1sct h LEU 38 CO 0.11 1.21 -0.17 0.24 -0.34 0.00 0.00 178.44 179.50 1sct h MET 39 N 0.82 0.77 -0.37 1.25 2.86 -1.19 -0.67 114.93 118.41 1sct h MET 39 Ca 0.09 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1sct h MET 39 Cb 0.86 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1sct h MET 39 CO 0.08 0.95 0.16 0.00 1.06 0.00 0.00 176.91 179.16 1sct h ALA 40 N 0.80 0.48 -0.31 6.32 0.00 -1.38 -0.20 119.26 124.98 1sct h ALA 40 Ca 0.09 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1sct h ALA 40 Cb 0.71 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1sct h ALA 40 CO 0.05 0.06 -0.18 -0.91 0.00 0.00 0.00 179.25 178.27 1sct h ASN 41 N 0.45 0.55 -0.25 0.00 2.35 -1.17 -0.33 115.58 117.18 1sct h ASN 41 Ca 0.12 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1sct h ASN 41 Cb 0.15 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1sct h ASN 41 CO -0.01 0.75 0.06 0.25 -1.65 0.00 0.00 177.43 176.83 1sct h LEU 42 N 0.50 0.39 -1.25 1.61 5.85 -0.58 -1.89 115.31 119.95 1sct h LEU 42 Ca 0.08 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1sct h LEU 42 Cb 0.60 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1sct h LEU 42 CO 0.04 0.52 0.30 -0.26 -0.34 0.00 0.00 178.44 178.70 1sct h PHE 43 N 0.24 0.80 -0.31 1.25 0.04 -0.36 0.99 116.94 119.60 1sct h PHE 43 Ca 0.08 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.66 1sct h PHE 43 Cb 0.28 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1sct h PHE 43 CO 0.01 0.58 -0.50 0.87 -0.60 0.00 0.00 178.31 178.67 1sct h LYS 44 N 0.82 0.87 0.05 1.51 1.57 -0.95 -3.24 116.57 117.20 1sct h LYS 44 Ca 0.21 -0.52 -0.25 0.00 -1.87 0.00 0.00 60.65 58.21 1sct h LYS 44 Cb 0.06 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1sct h LYS 44 CO -0.03 1.16 -1.07 1.15 -0.57 0.00 0.00 179.45 180.09 1sct h THR 45 N 0.68 1.39 -2.84 -0.16 2.02 -0.91 -3.39 112.91 109.68 1sct h THR 45 Ca 0.03 -2.56 -0.61 0.00 0.77 0.00 0.00 66.41 64.04 1sct h THR 45 Cb 1.10 2.57 -0.40 0.00 -1.74 0.00 0.00 68.15 69.68 1sct h THR 45 CO 0.11 0.76 -0.74 -0.44 0.37 0.00 0.00 175.52 175.59 1sct s SER 46 N -7.18 3.45 0.58 4.18 0.01 0.31 -4.96 113.70 110.09 1sct s SER 46 Ca -0.06 -3.27 0.27 0.00 1.31 0.00 0.00 55.95 54.20 1sct s SER 46 Cb 0.08 -1.11 1.57 0.00 0.21 0.00 0.00 66.02 66.77 1sct s SER 46 CO 0.89 -0.16 2.06 -0.65 0.41 0.00 0.00 173.24 175.78 1sct h PRO 47 N 5.84 0.00 -0.90 12.44 0.11 -1.77 0.24 132.00 147.96 1sct h PRO 47 Ca 0.14 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.28 1sct h PRO 47 Cb 0.85 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.91 1sct h PRO 47 CO 0.55 0.00 0.58 0.66 -0.21 0.00 0.00 178.00 179.58 1sct h SER 48 N 0.00 0.97 -0.85 -2.05 4.64 -1.93 -2.70 113.55 111.62 1sct h SER 48 Ca 0.12 -0.01 0.20 0.00 -0.47 0.00 0.00 61.79 61.64 1sct h SER 48 Cb 0.64 -0.22 -0.12 0.00 -0.31 0.00 0.00 62.40 62.39 1sct h SER 48 CO -0.00 0.66 0.33 0.00 -0.87 0.00 0.00 176.83 176.95 1sct h ALA 49 N 1.37 1.29 -0.99 5.18 0.00 -0.87 -1.94 119.26 123.31 1sct h ALA 49 Ca 0.36 0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.70 1sct h ALA 49 Cb 0.01 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 17.85 1sct h ALA 49 CO -0.12 -0.34 0.55 -0.22 0.00 0.00 0.00 179.25 179.12 1sct h LYS 50 N 0.36 0.46 -0.55 0.00 1.63 -1.60 0.23 116.57 117.10 1sct h LYS 50 Ca 0.52 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 60.21 1sct h LYS 50 Cb 0.95 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.46 1sct h LYS 50 CO -0.53 0.31 0.04 0.78 -3.45 0.00 0.00 179.45 176.60 1sct h GLY 51 N 0.48 0.98 2.00 5.01 0.00 -1.50 -2.78 103.07 107.26 1sct h GLY 51 Ca 0.66 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1sct h GLY 51 CO -0.52 0.61 -0.07 0.50 0.00 0.00 0.00 176.54 177.05 1sct h LYS 52 N 0.85 0.00 -0.48 4.80 1.79 -0.61 -1.80 116.57 121.12 1sct h LYS 52 Ca 0.17 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1sct h LYS 52 Cb 0.45 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1sct h LYS 52 CO 0.02 0.07 0.03 1.19 -1.08 0.00 0.00 179.45 179.68 1sct n PHE 53 N -3.62 1.71 0.26 -1.35 3.72 -1.06 -4.70 117.46 112.42 1sct n PHE 53 Ca -0.02 -0.87 0.18 0.00 -0.05 0.00 0.00 57.45 56.69 1sct n PHE 53 Cb 0.18 -0.47 0.92 0.00 -0.94 0.00 0.00 39.48 39.17 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 2.98 1.52 -0.46 4.37 0.00 -1.23 -0.28 119.26 126.15 1sct h ALA 54 Ca 0.04 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1sct h ALA 54 Cb 1.84 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.56 1sct h ALA 54 CO 0.43 -0.23 -0.00 -0.09 0.00 0.00 0.00 179.25 179.36 1sct h ARG 55 N 0.00 0.11 0.00 0.00 2.43 -1.85 -2.25 114.38 112.81 1sct h ARG 55 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1sct h ARG 55 Cb 0.40 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1sct h ARG 55 CO -0.00 0.07 0.00 -0.07 -1.51 0.00 0.00 179.97 178.46 1sct h LEU 56 N 0.11 0.00 0.00 3.80 3.38 -1.43 -3.48 115.31 117.68 1sct h LEU 56 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1sct h LEU 56 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1sct h LEU 56 CO -0.39 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.75 1sct n GLY 57 N -0.22 1.55 3.45 0.83 0.00 -0.85 -4.54 105.19 105.42 1sct n GLY 57 Ca -0.00 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 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 6.98 0.65 1.61 2.15 -1.26 -4.77 116.67 118.02 1sct s ASP 58 Ca 0.00 -2.80 0.44 0.00 0.43 0.00 0.00 52.55 50.62 1sct s ASP 58 Cb 0.00 -2.38 2.39 0.00 -0.30 0.00 0.00 42.92 42.62 1sct s ASP 58 CO 0.00 -0.79 2.35 0.58 -0.17 0.00 0.00 175.17 177.14 1sct h VAL 59 N 4.88 0.00 0.00 1.11 2.07 -1.93 -0.98 116.25 121.39 1sct h VAL 59 Ca 0.26 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1sct h VAL 59 Cb 0.91 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1sct h VAL 59 CO 1.18 0.00 -0.27 -1.54 0.02 0.00 0.00 177.57 176.96 1sct n SER 60 N -3.05 0.27 0.04 0.57 3.41 -1.26 -3.24 113.62 110.36 1sct n SER 60 Ca -0.03 0.11 0.05 0.00 -0.26 0.00 0.00 58.87 58.74 1sct n SER 60 Cb 0.07 -0.11 0.24 0.00 -0.26 0.00 0.00 64.21 64.15 1sct n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sct n ALA 61 N -1.51 1.31 -0.98 7.33 0.00 -0.37 -4.94 120.51 121.35 1sct n ALA 61 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1sct n ALA 61 Cb 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.79 3.38 0.26 0.00 0.00 -1.20 -2.26 105.19 104.57 1sct n GLY 62 Ca 0.01 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1sct n GLY 62 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sct h LYS 63 N 0.00 0.00 0.00 1.61 3.64 -1.94 0.95 116.57 120.84 1sct h LYS 63 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1sct h LYS 63 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sct h LYS 63 CO 0.00 0.00 -0.55 -0.44 -2.27 0.00 0.00 179.45 176.19 1sct h ASP 64 N 0.00 0.00 -3.65 4.20 3.32 -1.86 -3.41 116.42 115.01 1sct h ASP 64 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1sct h ASP 64 Cb 0.26 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.71 1sct h ASP 64 CO 0.00 0.24 0.65 0.21 -1.72 0.00 0.00 179.24 178.62 1sct s ASN 65 N -6.07 6.54 0.28 6.45 3.84 0.33 -4.91 114.94 121.40 1sct s ASN 65 Ca 0.03 0.23 0.14 0.00 0.21 0.00 0.00 52.86 53.47 1sct s ASN 65 Cb 0.07 -2.47 0.30 0.00 -0.55 0.00 0.00 41.25 38.61 1sct s ASN 65 CO 0.74 -1.06 1.56 0.77 -2.79 0.00 0.00 177.10 176.31 1sct h SER 66 N 9.03 0.00 -0.57 -4.21 4.64 -1.83 0.68 113.55 121.29 1sct h SER 66 Ca -0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 1sct h SER 66 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1sct h SER 66 CO 1.04 0.59 0.20 0.11 -0.87 0.00 0.00 176.83 177.90 1sct h LYS 67 N 0.00 0.87 -0.62 4.77 1.57 -1.91 -0.19 116.57 121.06 1sct h LYS 67 Ca -0.01 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1sct h LYS 67 Cb 1.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1sct h LYS 67 CO 0.08 0.77 0.04 1.25 -0.57 0.00 0.00 179.45 181.02 1sct h LEU 68 N 0.79 1.03 0.11 2.94 5.85 -1.73 -1.16 115.31 123.14 1sct h LEU 68 Ca 0.19 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1sct h LEU 68 Cb 0.24 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1sct h LEU 68 CO -0.01 1.07 -0.05 -0.09 -0.34 0.00 0.00 178.44 179.01 1sct h ARG 69 N 0.97 -0.15 -0.78 1.25 2.43 -0.61 -0.21 114.38 117.28 1sct h ARG 69 Ca 0.18 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1sct h ARG 69 Cb 0.51 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1sct h ARG 69 CO 0.02 -0.01 0.49 0.78 -1.51 0.00 0.00 179.97 179.74 1sct h GLY 70 N -0.25 1.14 0.92 2.80 0.00 -0.98 -1.71 103.07 104.99 1sct h GLY 70 Ca -0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1sct h GLY 70 CO 0.03 0.31 0.10 0.84 0.00 0.00 0.00 176.54 177.81 1sct h HIS 71 N 0.95 0.57 -0.47 5.60 -0.00 -0.91 -2.36 115.15 118.53 1sct h HIS 71 Ca 0.32 -0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.52 1sct h HIS 71 Cb 0.04 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1sct h HIS 71 CO -0.03 0.56 -0.12 0.77 -0.00 0.00 0.00 177.93 179.11 1sct h SER 72 N 0.41 0.87 -0.37 3.26 0.02 -0.60 0.10 113.55 117.24 1sct h SER 72 Ca 0.11 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 1sct h SER 72 Cb 0.26 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1sct h SER 72 CO -0.00 1.00 -0.11 0.40 -1.14 0.00 0.00 176.83 176.97 1sct h ILE 73 N 0.78 1.28 -0.33 3.27 2.04 -1.35 -2.74 117.51 120.46 1sct h ILE 73 Ca 0.13 -1.20 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 1sct h ILE 73 Cb 0.63 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1sct h ILE 73 CO 0.04 0.40 -0.10 0.74 0.00 0.00 0.00 178.15 179.22 1sct h THR 74 N 0.52 1.23 -0.57 -0.27 2.02 -0.91 -1.86 112.91 113.06 1sct h THR 74 Ca 0.09 -1.02 0.11 0.00 0.77 0.00 0.00 66.41 66.35 1sct h THR 74 Cb 0.63 1.10 -0.09 0.00 -1.74 0.00 0.00 68.15 68.05 1sct h THR 74 CO 0.04 0.34 0.08 0.25 0.37 0.00 0.00 175.52 176.60 1sct h LEU 75 N 0.52 -0.08 -0.82 2.58 7.12 -0.65 -1.69 115.31 122.28 1sct h LEU 75 Ca 0.10 0.12 -0.08 0.00 0.13 0.00 0.00 57.88 58.14 1sct h LEU 75 Cb 0.49 0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.78 1sct h LEU 75 CO 0.03 -0.03 -0.02 0.24 -0.13 0.00 0.00 178.44 178.53 1sct h MET 76 N 0.20 0.87 0.00 1.25 2.86 -1.04 -2.28 114.93 116.78 1sct h MET 76 Ca 0.30 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1sct h MET 76 Cb 0.45 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1sct h MET 76 CO -0.42 0.88 -0.00 1.88 1.06 0.00 0.00 176.91 180.30 1sct h TYR 77 N 0.80 0.00 -0.45 -0.22 0.05 -1.10 -1.71 116.97 114.34 1sct h TYR 77 Ca 0.15 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 1sct h TYR 77 Cb 0.50 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1sct h TYR 77 CO 0.03 0.00 -0.18 0.00 -1.05 0.00 0.00 178.16 176.96 1sct h ALA 78 N 2.00 0.84 -0.00 3.88 0.00 -0.91 -0.67 119.26 124.39 1sct h ALA 78 Ca -0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1sct h ALA 78 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sct h ALA 78 CO 0.00 0.64 -0.85 -0.07 0.00 0.00 0.00 179.25 178.97 1sct h LEU 79 N 0.77 0.22 -0.55 0.00 3.38 -0.96 -2.00 115.31 116.17 1sct h LEU 79 Ca 0.11 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1sct h LEU 79 Cb 0.71 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1sct h LEU 79 CO 0.05 0.97 0.27 -0.61 0.09 0.00 0.00 178.44 179.21 1sct h GLN 80 N 0.10 0.49 -0.11 1.13 5.75 -1.17 -0.45 115.11 120.85 1sct h GLN 80 Ca -0.04 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1sct h GLN 80 Cb 1.47 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.88 1sct h GLN 80 CO 0.13 0.32 -0.08 -0.97 -2.65 0.00 0.00 178.83 175.59 1sct h ASN 81 N 0.51 -0.24 -0.57 -0.69 -0.73 -0.77 0.44 115.58 113.53 1sct h ASN 81 Ca 0.25 0.05 0.02 0.00 1.87 0.00 0.00 56.30 58.50 1sct h ASN 81 Cb 0.20 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.88 1sct h ASN 81 CO -0.19 -0.11 0.36 -0.26 -0.37 0.00 0.00 177.43 176.86 1sct h PHE 82 N -0.08 0.67 -0.44 0.67 0.04 -1.06 -2.43 116.94 114.31 1sct h PHE 82 Ca 0.07 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 1sct h PHE 82 Cb 0.18 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1sct h PHE 82 CO -0.20 0.40 0.09 0.28 -0.60 0.00 0.00 178.31 178.28 1sct h VAL 83 N 0.71 1.24 0.00 -0.55 2.07 -0.69 -2.21 116.25 116.82 1sct h VAL 83 Ca 0.22 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1sct h VAL 83 Cb -0.02 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1sct h VAL 83 CO -0.08 0.30 0.00 0.44 0.02 0.00 0.00 177.57 178.25 1sct h ASP 84 N 0.58 0.00 0.06 0.57 3.32 -0.67 -2.70 116.42 117.58 1sct h ASP 84 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1sct h ASP 84 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1sct h ASP 84 CO 0.00 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 177.44 1sct n ALA 85 N -1.87 2.74 0.40 3.45 0.00 -0.83 -4.57 120.51 119.83 1sct n ALA 85 Ca -0.00 -0.44 0.09 0.00 0.00 0.00 0.00 53.44 53.08 1sct n ALA 85 Cb 0.13 -1.14 0.37 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.05 0.29 -0.94 0.00 4.77 -1.02 -2.08 117.00 117.97 1sct n LEU 86 Ca 0.17 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 56.82 1sct n LEU 86 Cb 0.36 -0.55 0.18 0.00 -2.33 0.00 0.00 43.42 41.09 1sct n LEU 86 CO 0.20 -0.43 0.65 0.47 -1.33 0.00 0.00 177.39 176.95 1sct n ASP 87 N -1.82 3.15 -3.65 -1.43 8.00 -1.26 -4.41 116.55 115.13 1sct n ASP 87 Ca 0.02 -1.91 -0.27 0.00 0.71 0.00 0.00 54.79 53.35 1sct n ASP 87 Cb 0.17 -0.23 -0.17 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.23 2.73 0.26 -2.24 2.15 -0.88 -5.02 116.67 112.43 1sct s ASP 88 Ca 0.32 -0.80 -0.03 0.00 0.43 0.00 0.00 52.55 52.48 1sct s ASP 88 Cb 0.18 -0.39 0.44 0.00 -0.30 0.00 0.00 42.92 42.85 1sct s ASP 88 CO 0.25 -0.35 1.83 0.58 -0.17 0.00 0.00 175.17 177.31 1sct h VAL 89 N 6.45 0.95 -0.56 1.11 2.07 -1.88 -1.55 116.25 122.84 1sct h VAL 89 Ca -0.16 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1sct h VAL 89 Cb 1.12 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1sct h VAL 89 CO 0.33 0.17 0.09 -0.33 0.02 0.00 0.00 177.57 177.85 1sct h GLU 90 N 0.92 0.92 -0.34 1.57 4.39 -1.95 -0.69 114.58 119.41 1sct h GLU 90 Ca 0.43 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1sct h GLU 90 Cb 0.36 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1sct h GLU 90 CO -0.24 0.89 0.00 -0.09 -1.16 0.00 0.00 179.01 178.41 1sct h ARG 91 N 0.82 0.60 -0.56 2.33 2.43 -1.79 -2.45 114.38 115.76 1sct h ARG 91 Ca 0.17 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1sct h ARG 91 Cb 0.41 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1sct h ARG 91 CO 0.01 0.72 0.11 1.25 -1.51 0.00 0.00 179.97 180.55 1sct h LEU 92 N 0.41 0.86 -0.58 3.80 6.46 -1.11 -2.24 115.31 122.92 1sct h LEU 92 Ca 0.10 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1sct h LEU 92 Cb 0.45 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1sct h LEU 92 CO 0.02 0.89 0.26 0.50 -0.62 0.00 0.00 178.44 179.49 1sct h LYS 93 N 0.80 0.84 0.00 1.25 3.64 -1.12 -0.29 116.57 121.70 1sct h LYS 93 Ca 0.17 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1sct h LYS 93 Cb 0.38 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1sct h LYS 93 CO 0.01 0.70 -0.66 0.00 -2.27 0.00 0.00 179.45 177.23 1sct h VAL 95 N 0.00 0.97 0.08 0.00 -1.51 -1.12 -2.09 116.25 112.58 1sct h VAL 95 Ca -0.01 -2.33 -0.00 0.00 -1.23 0.00 0.00 66.70 63.13 1sct h VAL 95 Cb 1.28 2.46 0.00 0.00 -2.13 0.00 0.00 31.29 32.89 1sct h VAL 95 CO 0.09 0.54 -0.04 0.58 -1.23 0.00 0.00 177.57 177.51 1sct h VAL 96 N 0.00 0.94 -0.78 7.19 2.07 -0.84 -1.91 116.25 122.92 1sct h VAL 96 Ca -0.01 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1sct h VAL 96 Cb 1.41 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1sct h VAL 96 CO 0.07 0.02 0.38 -0.33 0.02 0.00 0.00 177.57 177.73 1sct h GLU 97 N -0.13 1.12 -0.09 1.57 5.08 -1.23 0.21 114.58 121.11 1sct h GLU 97 Ca -0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1sct h GLU 97 Cb 0.11 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1sct h GLU 97 CO 0.02 0.85 0.06 -0.22 -1.00 0.00 0.00 179.01 178.72 1sct h LYS 98 N 1.11 0.11 0.00 2.33 1.63 -1.23 -2.72 116.57 117.80 1sct h LYS 98 Ca 0.27 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1sct h LYS 98 Cb 0.10 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1sct h LYS 98 CO -0.04 0.08 -0.28 0.74 -3.45 0.00 0.00 179.45 176.51 1sct h PHE 99 N 0.11 0.00 -0.32 1.91 0.04 -0.94 -3.01 116.94 114.73 1sct h PHE 99 Ca 0.03 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 1sct h PHE 99 Cb -0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1sct h PHE 99 CO -0.07 0.28 -0.02 0.00 -0.60 0.00 0.00 178.31 177.90 1sct h ALA 100 N 1.72 0.44 -0.49 2.45 0.00 -0.89 -2.68 119.26 119.80 1sct h ALA 100 Ca -0.00 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1sct h ALA 100 Cb 0.89 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1sct h ALA 100 CO 0.04 0.21 0.10 0.28 0.00 0.00 0.00 179.25 179.88 1sct h VAL 101 N 0.38 0.73 -0.89 0.00 2.07 -1.38 0.21 116.25 117.38 1sct h VAL 101 Ca 0.09 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1sct h VAL 101 Cb 0.47 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1sct h VAL 101 CO 0.02 0.04 0.52 0.78 0.02 0.00 0.00 177.57 178.95 1sct h ASN 102 N 0.24 0.72 0.44 0.57 -0.26 -1.37 -0.23 115.58 115.69 1sct h ASN 102 Ca 0.25 0.06 -0.29 0.00 -0.56 0.00 0.00 56.30 55.76 1sct h ASN 102 Cb 0.33 -0.08 0.02 0.00 -1.06 0.00 0.00 38.32 37.53 1sct h ASN 102 CO -0.32 0.38 -1.29 0.45 -1.06 0.00 0.00 177.43 175.59 1sct h HIS 103 N 0.82 0.71 -0.21 1.19 3.86 -0.69 -2.97 115.15 117.84 1sct h HIS 103 Ca 0.45 -0.50 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1sct h HIS 103 Cb 0.48 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1sct h HIS 103 CO -0.05 1.37 0.09 0.82 0.86 0.00 0.00 177.93 181.02 1sct h ILE 104 N 0.13 0.97 -0.90 2.45 2.04 -0.44 -1.00 117.51 120.76 1sct h ILE 104 Ca -0.17 -0.07 0.16 0.00 1.00 0.00 0.00 64.86 65.78 1sct h ILE 104 Cb 1.99 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 38.75 1sct h ILE 104 CO 0.23 0.04 0.58 0.78 0.00 0.00 0.00 178.15 179.77 1sct h ASN 105 N 0.20 0.59 -0.41 1.72 2.35 -0.99 0.18 115.58 119.22 1sct h ASN 105 Ca 0.09 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1sct h ASN 105 Cb 0.04 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1sct h ASN 105 CO -0.08 0.27 0.00 0.54 -1.65 0.00 0.00 177.43 176.52 1sct n ARG 106 N -4.57 2.11 -3.76 0.81 5.12 -0.54 -4.94 116.66 110.90 1sct n ARG 106 Ca 0.18 -1.54 -0.29 0.00 -1.93 0.00 0.00 57.85 54.27 1sct n ARG 106 Cb 0.54 -1.39 0.02 0.00 -1.16 0.00 0.00 32.46 30.47 1sct n ARG 106 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1sct n GLN 107 N 0.69 -2.16 -3.71 5.56 6.02 0.62 -4.99 117.38 119.41 1sct n GLN 107 Ca 0.14 0.45 -0.37 0.00 -0.01 0.00 0.00 57.00 57.22 1sct n GLN 107 Cb 0.40 -4.33 -0.10 0.00 1.02 0.00 0.00 30.24 27.23 1sct n GLN 107 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sct s ILE 108 N -3.63 5.07 0.59 5.09 -1.09 -0.49 -5.01 121.20 121.72 1sct s ILE 108 Ca 0.30 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.83 1sct s ILE 108 Cb -0.11 -3.37 0.07 0.00 -1.58 0.00 0.00 42.46 37.47 1sct s ILE 108 CO 0.86 0.34 0.81 -0.94 -1.23 0.00 0.00 174.94 174.79 1sct s SER 109 N 1.23 5.02 0.17 3.58 1.04 -1.26 -4.34 113.70 119.14 1sct s SER 109 Ca 0.06 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 56.00 1sct s SER 109 Cb -0.14 -0.36 0.13 0.00 0.10 0.00 0.00 66.02 65.75 1sct s SER 109 CO 0.05 -1.34 1.68 0.00 0.98 0.00 0.00 173.24 174.62 1sct h ALA 110 N -0.00 0.37 -0.07 5.32 0.00 -1.84 -0.35 119.26 122.68 1sct h ALA 110 Ca -0.38 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1sct h ALA 110 Cb 1.28 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1sct h ALA 110 CO 0.45 -0.41 -0.52 -0.44 0.00 0.00 0.00 179.25 178.33 1sct h ASP 111 N 0.07 0.22 -0.23 0.00 5.19 -1.95 -1.57 116.42 118.15 1sct h ASP 111 Ca 0.21 -0.11 -0.12 0.00 -0.62 0.00 0.00 57.03 56.39 1sct h ASP 111 Cb 0.32 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1sct h ASP 111 CO -0.38 0.71 -0.28 -0.33 -3.12 0.00 0.00 179.24 175.83 1sct h GLU 112 N 0.16 0.73 -0.32 3.56 5.08 -1.82 -2.70 114.58 119.27 1sct h GLU 112 Ca 0.00 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1sct h GLU 112 Cb 0.98 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1sct h GLU 112 CO 0.08 0.93 -0.06 0.35 -1.00 0.00 0.00 179.01 179.31 1sct h PHE 113 N 0.62 0.55 0.00 4.33 3.57 -0.41 -1.95 116.94 123.66 1sct h PHE 113 Ca 0.08 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1sct h PHE 113 Cb 0.80 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1sct h PHE 113 CO 0.04 0.58 0.00 0.78 -2.23 0.00 0.00 178.31 177.48 1sct h GLY 114 N 0.88 0.00 2.00 2.40 0.00 -0.97 -2.80 103.07 104.58 1sct h GLY 114 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1sct h GLY 114 CO 0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.74 1sct n GLU 115 N -2.43 0.03 0.25 4.80 1.02 -0.73 -2.50 120.64 121.08 1sct n GLU 115 Ca -0.01 0.43 0.14 0.00 -0.02 0.00 0.00 57.16 57.70 1sct n GLU 115 Cb 0.08 -1.59 0.48 0.00 -0.02 0.00 0.00 31.44 30.40 1sct n GLU 115 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1sct h ILE 116 N 0.00 0.10 -0.63 -3.67 6.09 -1.71 -3.29 117.51 114.40 1sct h ILE 116 Ca 0.00 -0.79 -0.02 0.00 -1.37 0.00 0.00 64.86 62.67 1sct h ILE 116 Cb 0.11 1.72 -0.03 0.00 0.47 0.00 0.00 36.82 39.09 1sct h ILE 116 CO 0.00 0.05 0.30 0.58 -3.07 0.00 0.00 178.15 176.01 1sct h VAL 117 N 0.00 1.20 0.58 2.19 2.07 -1.77 -0.92 116.25 119.61 1sct h VAL 117 Ca -0.00 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1sct h VAL 117 Cb 0.72 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1sct h VAL 117 CO 0.01 0.24 -0.28 1.23 0.02 0.00 0.00 177.57 178.79 1sct h GLY 118 N 0.96 -0.81 -0.89 2.17 0.00 -1.82 -1.12 103.07 101.56 1sct h GLY 118 Ca 0.22 0.30 0.18 0.00 0.00 0.00 0.00 47.33 48.03 1sct h GLY 118 CO -0.03 -0.29 -0.25 -2.55 0.00 0.00 0.00 176.54 173.42 1sct h PRO 119 N -0.92 -0.00 -0.61 4.80 0.11 -1.70 -1.36 132.00 132.31 1sct h PRO 119 Ca -0.08 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1sct h PRO 119 Cb 0.64 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1sct h PRO 119 CO 0.13 -0.00 0.02 1.25 -0.21 0.00 0.00 178.00 179.19 1sct h LEU 120 N -0.00 1.04 -0.58 2.35 5.85 -1.05 -1.74 115.31 121.17 1sct h LEU 120 Ca 0.44 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1sct h LEU 120 Cb 0.68 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1sct h LEU 120 CO -0.97 1.07 0.34 -0.09 -0.34 0.00 0.00 178.44 178.45 1sct h ARG 121 N 0.98 0.80 -0.45 1.25 2.43 -0.11 -1.35 114.38 117.92 1sct h ARG 121 Ca 0.18 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1sct h ARG 121 Cb 0.53 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1sct h ARG 121 CO 0.03 0.59 -0.01 0.37 -1.51 0.00 0.00 179.97 179.44 1sct h GLN 122 N 0.79 0.80 -0.70 0.20 5.75 -1.10 -2.34 115.11 118.51 1sct h GLN 122 Ca 0.21 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1sct h GLN 122 Cb 0.01 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1sct h GLN 122 CO -0.04 0.86 0.39 1.15 -2.65 0.00 0.00 178.83 178.55 1sct h THR 123 N 0.65 1.21 -0.23 2.39 2.02 -1.19 -1.47 112.91 116.28 1sct h THR 123 Ca 0.13 -0.50 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 1sct h THR 123 Cb 0.51 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1sct h THR 123 CO 0.02 0.23 -0.33 -0.07 0.37 0.00 0.00 175.52 175.74 1sct h LEU 124 N 0.97 0.51 -0.37 2.58 3.38 -1.07 -1.83 115.31 119.48 1sct h LEU 124 Ca 0.25 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1sct h LEU 124 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1sct h LEU 124 CO -0.04 0.81 0.03 0.11 0.09 0.00 0.00 178.44 179.44 1sct h LYS 125 N 0.42 0.63 -0.45 1.13 1.57 -0.86 0.19 116.57 119.20 1sct h LYS 125 Ca 0.05 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1sct h LYS 125 Cb 0.79 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1sct h LYS 125 CO 0.06 0.72 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 1sct h ALA 126 N 0.89 1.15 0.00 3.86 0.00 -1.14 -2.53 119.26 121.49 1sct h ALA 126 Ca 0.11 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 1sct h ALA 126 Cb 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1sct h ALA 126 CO 0.01 0.55 -2.03 0.54 0.00 0.00 0.00 179.25 178.32 1sct n ARG 127 N -4.23 0.66 0.12 0.00 5.12 -0.70 -4.32 116.66 113.32 1sct n ARG 127 Ca 0.02 0.01 0.06 0.00 -1.93 0.00 0.00 57.85 56.02 1sct n ARG 127 Cb 0.29 -1.60 0.02 0.00 -1.16 0.00 0.00 32.46 30.01 1sct n ARG 127 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 1sct h MET 128 N 0.00 0.00 0.00 5.56 2.86 -0.67 -3.49 114.93 119.18 1sct h MET 128 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1sct h MET 128 Cb 1.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1sct h MET 128 CO 0.03 0.21 0.00 0.41 1.06 0.00 0.00 176.91 178.61 1sct n GLY 129 N 1.23 3.68 0.29 8.32 0.00 -0.95 -1.29 105.19 116.47 1sct n GLY 129 Ca -0.01 0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.34 1sct n GLY 129 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sct h ASN 130 N 0.00 0.00 -0.45 1.61 -0.26 -1.95 -1.74 115.58 112.79 1sct h ASN 130 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1sct h ASN 130 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1sct h ASN 130 CO 0.00 0.04 0.00 -1.22 -1.06 0.00 0.00 177.43 175.19 1sct n TYR 131 N -3.56 1.48 -2.09 1.19 4.02 -0.41 -4.93 117.16 112.85 1sct n TYR 131 Ca -0.02 -0.53 -0.37 0.00 -0.01 0.00 0.00 57.90 56.97 1sct n TYR 131 Cb 0.14 -0.36 0.01 0.00 -0.02 0.00 0.00 39.34 39.11 1sct n TYR 131 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1sct s PHE 132 N -2.20 2.60 -0.19 -0.72 5.36 -0.66 -4.99 117.98 117.19 1sct s PHE 132 Ca 0.41 1.50 -0.10 0.00 -0.96 0.00 0.00 56.93 57.77 1sct s PHE 132 Cb 0.30 -3.49 0.06 0.00 -0.34 0.00 0.00 43.02 39.56 1sct s PHE 132 CO 0.14 -1.99 0.46 0.34 -1.46 0.00 0.00 175.22 172.70 1sct s ASP 133 N -1.37 -0.59 0.51 6.13 2.15 -1.26 -5.04 116.67 117.19 1sct s ASP 133 Ca 0.70 1.00 0.22 0.00 0.43 0.00 0.00 52.55 54.91 1sct s ASP 133 Cb -0.31 0.88 1.35 0.00 -0.30 0.00 0.00 42.92 44.54 1sct s ASP 133 CO 0.36 -0.20 2.08 -0.08 -0.17 0.00 0.00 175.17 177.16 1sct h GLU 134 N 7.09 0.00 0.00 4.34 4.57 -2.01 -1.84 114.58 126.73 1sct h GLU 134 Ca -0.36 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 1sct h GLU 134 Cb 1.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1sct h GLU 134 CO 0.27 0.11 -0.18 -0.44 -1.18 0.00 0.00 179.01 177.60 1sct h ASP 135 N 0.00 0.00 -0.52 1.04 3.32 -1.99 -1.32 116.42 116.95 1sct h ASP 135 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1sct h ASP 135 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1sct h ASP 135 CO 0.01 0.18 -0.15 0.74 -1.72 0.00 0.00 179.24 178.31 1sct h THR 136 N 0.00 1.27 -0.60 0.35 2.02 -1.73 -1.42 112.91 112.80 1sct h THR 136 Ca -0.00 -1.31 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 1sct h THR 136 Cb 0.34 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1sct h THR 136 CO 0.02 0.46 0.18 0.58 0.37 0.00 0.00 175.52 177.14 1sct h VAL 137 N 0.90 1.24 -0.71 3.16 2.07 -1.31 -1.84 116.25 119.77 1sct h VAL 137 Ca 0.13 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1sct h VAL 137 Cb 0.72 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1sct h VAL 137 CO 0.06 0.31 0.47 0.00 0.02 0.00 0.00 177.57 178.42 1sct h ALA 138 N 1.06 0.90 -0.31 1.67 0.00 -1.02 0.67 119.26 122.22 1sct h ALA 138 Ca 0.19 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sct h ALA 138 Cb 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1sct h ALA 138 CO -0.01 0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.69 1sct h ALA 139 N 1.26 0.37 -0.99 0.00 0.00 -1.00 -1.20 119.26 117.71 1sct h ALA 139 Ca 0.26 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1sct h ALA 139 Cb -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1sct h ALA 139 CO -0.06 -0.26 0.65 -1.49 0.00 0.00 0.00 179.25 178.09 1sct h TRP 140 N 0.29 1.24 -0.70 0.00 4.06 -0.55 -2.34 115.95 117.95 1sct h TRP 140 Ca 0.13 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.11 1sct h TRP 140 Cb 0.08 -0.42 -0.03 0.00 -1.00 0.00 0.00 29.16 27.78 1sct h TRP 140 CO -0.11 0.79 0.43 0.00 -3.56 0.00 0.00 178.44 175.98 1sct h ALA 141 N 1.36 1.42 -0.60 1.49 0.00 -0.50 -1.08 119.26 121.36 1sct h ALA 141 Ca 0.36 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1sct h ALA 141 Cb -0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 1sct h ALA 141 CO -0.08 0.50 0.19 0.77 0.00 0.00 0.00 179.25 180.63 1sct h SER 142 N 0.97 0.87 -0.26 0.00 0.02 -0.69 -1.68 113.55 112.77 1sct h SER 142 Ca 0.25 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1sct h SER 142 Cb -0.04 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1sct h SER 142 CO -0.05 0.84 0.04 0.25 -1.14 0.00 0.00 176.83 176.78 1sct h LEU 143 N 0.84 0.42 -1.39 5.07 6.46 -1.17 -2.90 115.31 122.65 1sct h LEU 143 Ca 0.19 -0.26 0.07 0.00 -0.12 0.00 0.00 57.88 57.77 1sct h LEU 143 Cb 0.29 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 1sct h LEU 143 CO -0.01 0.57 0.48 0.58 -0.62 0.00 0.00 178.44 179.45 1sct h VAL 144 N 0.25 1.00 0.00 1.05 2.07 -1.07 -1.32 116.25 118.23 1sct h VAL 144 Ca 0.08 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1sct h VAL 144 Cb 0.33 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1sct h VAL 144 CO 0.00 0.13 -0.14 0.00 0.02 0.00 0.00 177.57 177.59 1sct h ALA 145 N 1.61 1.12 -0.24 1.67 0.00 -1.10 -1.45 119.26 120.87 1sct h ALA 145 Ca 0.32 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1sct h ALA 145 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sct h ALA 145 CO -0.11 0.17 -0.30 0.28 0.00 0.00 0.00 179.25 179.29 1sct h VAL 146 N 0.00 1.28 -0.03 0.00 2.07 -1.15 -1.98 116.25 116.44 1sct h VAL 146 Ca -0.00 -1.37 -0.22 0.00 0.82 0.00 0.00 66.70 65.93 1sct h VAL 146 Cb 0.51 1.43 0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1sct h VAL 146 CO 0.02 0.43 -0.83 0.58 0.02 0.00 0.00 177.57 177.79 1sct h VAL 147 N 0.42 1.33 -0.94 2.57 2.07 -1.43 -3.19 116.25 117.08 1sct h VAL 147 Ca 0.05 -2.12 0.08 0.00 0.82 0.00 0.00 66.70 65.52 1sct h VAL 147 Cb 0.74 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 1sct h VAL 147 CO 0.06 0.65 0.61 1.56 0.02 0.00 0.00 177.57 180.46 1sct h GLN 148 N 0.23 1.01 0.00 1.57 4.20 -1.21 -1.91 115.11 119.00 1sct h GLN 148 Ca -0.10 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1sct h GLN 148 Cb 1.50 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1sct h GLN 148 CO 0.16 0.67 0.19 0.00 -0.67 0.00 0.00 178.83 179.18 1sct h ALA 149 N 1.50 1.17 -0.11 3.87 0.00 -1.34 -2.07 119.26 122.29 1sct h ALA 149 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1sct h ALA 149 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sct h ALA 149 CO -0.17 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.78 1sct n SER 150 N -2.75 2.11 -0.48 0.00 3.41 -0.73 -4.33 113.62 110.85 1sct n SER 150 Ca -0.02 -1.60 0.14 0.00 -0.26 0.00 0.00 58.87 57.13 1sct n SER 150 Cb 0.23 -0.07 0.52 0.00 -0.26 0.00 0.00 64.21 64.64 1sct n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06