#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 1.13 -0.10 3.15 2.07 -1.87 -2.45 116.25 118.18 1sct h VAL 3 Ca 0.00 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1sct h VAL 3 Cb 0.00 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1sct h VAL 3 CO 0.00 0.16 -0.41 0.00 0.02 0.00 0.00 177.57 177.35 1sct h ALA 4 N 1.28 1.12 -0.01 1.67 0.00 -1.98 0.27 119.26 121.61 1sct h ALA 4 Ca 0.27 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1sct h ALA 4 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1sct h ALA 4 CO -0.09 0.58 -0.04 1.49 0.00 0.00 0.00 179.25 181.20 1sct h GLU 5 N 0.19 0.06 -0.31 0.00 4.81 -1.93 -1.53 114.58 115.86 1sct h GLU 5 Ca 0.02 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1sct h GLU 5 Cb 0.81 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1sct h GLU 5 CO 0.06 0.66 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.76 1sct h LEU 6 N -0.54 0.56 -0.53 1.64 3.38 -1.22 -0.30 115.31 118.29 1sct h LEU 6 Ca -0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1sct h LEU 6 Cb 0.66 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1sct h LEU 6 CO 0.01 0.75 0.11 0.00 0.09 0.00 0.00 178.44 179.40 1sct h ALA 7 N 1.30 0.70 -0.43 1.53 0.00 -0.51 -1.95 119.26 119.91 1sct h ALA 7 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1sct h ALA 7 Cb 0.59 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1sct h ALA 7 CO 0.04 0.42 0.14 -0.97 0.00 0.00 0.00 179.25 178.88 1sct h ASN 8 N 0.76 0.63 -0.62 0.00 -1.24 -1.01 -1.51 115.58 112.58 1sct h ASN 8 Ca 0.17 -0.20 0.03 0.00 0.71 0.00 0.00 56.30 57.00 1sct h ASN 8 Cb 0.36 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 1sct h ASN 8 CO 0.01 0.66 0.38 0.00 -1.29 0.00 0.00 177.43 177.18 1sct h ALA 9 N 0.99 0.80 -0.30 1.57 0.00 -0.80 -0.14 119.26 121.37 1sct h ALA 9 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1sct h ALA 9 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sct h ALA 9 CO -0.01 0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.73 1sct h VAL 10 N 0.75 1.21 -0.17 0.00 2.07 -1.20 -0.96 116.25 117.94 1sct h VAL 10 Ca 0.25 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1sct h VAL 10 Cb 0.02 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1sct h VAL 10 CO -0.10 0.23 -0.14 0.58 0.02 0.00 0.00 177.57 178.16 1sct h VAL 11 N 0.32 1.19 0.00 2.57 2.07 -1.01 -2.59 116.25 118.80 1sct h VAL 11 Ca 0.09 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 1sct h VAL 11 Cb 0.27 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1sct h VAL 11 CO -0.00 0.27 -0.55 0.28 0.02 0.00 0.00 177.57 177.59 1sct h SER 12 N 0.26 0.00 -2.65 0.57 0.02 -0.62 -3.43 113.55 107.70 1sct h SER 12 Ca 0.05 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.33 1sct h SER 12 Cb 0.41 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.78 1sct h SER 12 CO 0.02 0.55 0.55 0.21 -1.14 0.00 0.00 176.83 177.02 1sct s ASN 13 N -6.67 6.37 0.25 3.07 3.84 -0.40 -4.90 114.94 116.50 1sct s ASN 13 Ca -0.00 -1.55 -0.06 0.00 0.21 0.00 0.00 52.86 51.46 1sct s ASN 13 Cb 0.12 -2.38 0.29 0.00 -0.55 0.00 0.00 41.25 38.73 1sct s ASN 13 CO 0.74 -1.20 1.90 0.00 -2.79 0.00 0.00 177.10 175.76 1sct h ALA 14 N 9.14 1.26 -0.42 1.71 0.00 -1.85 -1.69 119.26 127.41 1sct h ALA 14 Ca -0.10 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1sct h ALA 14 Cb 1.05 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1sct h ALA 14 CO 1.12 0.54 -0.30 -0.44 0.00 0.00 0.00 179.25 180.17 1sct h ASP 15 N 1.24 0.97 0.10 0.00 3.32 -1.98 -2.06 116.42 118.02 1sct h ASP 15 Ca 0.37 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 1sct h ASP 15 Cb -0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1sct h ASP 15 CO -0.11 1.19 -0.38 1.56 -1.72 0.00 0.00 179.24 179.78 1sct h GLN 16 N 0.78 0.38 -0.63 3.56 4.20 -1.91 -2.51 115.11 118.98 1sct h GLN 16 Ca 0.08 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1sct h GLN 16 Cb 0.87 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1sct h GLN 16 CO 0.08 0.70 0.39 0.87 -0.67 0.00 0.00 178.83 180.20 1sct h LYS 17 N 0.32 0.84 -0.50 1.46 1.57 -1.19 -0.95 116.57 118.12 1sct h LYS 17 Ca 0.03 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1sct h LYS 17 Cb 0.81 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1sct h LYS 17 CO 0.07 0.59 0.26 -0.44 -0.57 0.00 0.00 179.45 179.36 1sct h ASP 18 N 0.85 0.38 0.05 0.86 3.32 -1.19 -0.91 116.42 119.78 1sct h ASP 18 Ca 0.23 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 1sct h ASP 18 Cb -0.04 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1sct h ASP 18 CO -0.04 0.27 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.39 1sct h LEU 19 N 0.51 0.36 -0.21 1.55 3.38 -1.09 -0.08 115.31 119.73 1sct h LEU 19 Ca 0.22 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 1sct h LEU 19 Cb 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1sct h LEU 19 CO -0.15 0.64 -0.63 -0.07 0.09 0.00 0.00 178.44 178.32 1sct h LEU 20 N 0.32 0.92 -0.34 1.67 3.38 -0.83 -1.75 115.31 118.68 1sct h LEU 20 Ca 0.05 -0.58 -0.19 0.00 0.09 0.00 0.00 57.88 57.24 1sct h LEU 20 Cb 0.67 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1sct h LEU 20 CO 0.05 1.34 -0.71 0.03 0.09 0.00 0.00 178.44 179.24 1sct h ARG 21 N 0.54 0.58 -0.47 1.13 3.08 -1.01 0.99 114.38 119.21 1sct h ARG 21 Ca -0.02 -0.45 -0.12 0.00 0.07 0.00 0.00 59.98 59.46 1sct h ARG 21 Cb 1.25 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1sct h ARG 21 CO 0.14 1.07 -0.16 1.98 -1.07 0.00 0.00 179.97 181.92 1sct h MET 22 N 0.40 0.95 0.00 0.04 4.05 -1.04 -1.79 114.93 117.55 1sct h MET 22 Ca -0.03 -0.39 -0.17 0.00 -0.28 0.00 0.00 59.70 58.83 1sct h MET 22 Cb 1.30 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.03 1sct h MET 22 CO 0.13 1.05 -0.82 0.66 0.23 0.00 0.00 176.91 178.17 1sct h SER 23 N 0.79 0.00 -0.26 1.39 4.64 -1.24 -3.00 113.55 115.87 1sct h SER 23 Ca 0.11 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1sct h SER 23 Cb 0.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1sct h SER 23 CO 0.06 0.82 0.03 -0.25 -0.87 0.00 0.00 176.83 176.61 1sct h TRP 24 N 0.00 0.56 -0.93 4.77 2.91 -0.66 -0.88 115.95 121.72 1sct h TRP 24 Ca -0.01 -0.05 0.13 0.00 1.13 0.00 0.00 58.89 60.09 1sct h TRP 24 Cb 1.48 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 29.89 1sct h TRP 24 CO 0.00 0.53 0.60 0.78 -1.03 0.00 0.00 178.44 179.32 1sct h GLY 25 N 0.82 1.39 0.25 2.65 0.00 -1.18 0.22 103.07 107.23 1sct h GLY 25 Ca 0.12 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1sct h GLY 25 CO 0.01 0.14 -0.24 -2.08 0.00 0.00 0.00 176.54 174.36 1sct h VAL 26 N 0.85 1.68 -0.16 4.60 2.07 -1.51 -3.22 116.25 120.57 1sct h VAL 26 Ca 0.46 -2.32 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 1sct h VAL 26 Cb 0.57 3.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1sct h VAL 26 CO -0.22 0.62 0.09 -0.07 0.02 0.00 0.00 177.57 178.01 1sct h LEU 27 N -0.76 0.18 -0.73 2.57 3.38 -0.94 -2.19 115.31 116.82 1sct h LEU 27 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sct h LEU 27 Cb 1.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1sct h LEU 27 CO 0.05 0.14 -0.14 -1.54 0.09 0.00 0.00 178.44 177.04 1sct n SER 28 N -4.51 1.27 -0.23 -0.43 3.41 0.75 -4.01 113.62 109.87 1sct n SER 28 Ca -0.01 -1.18 0.01 0.00 -0.26 0.00 0.00 58.87 57.43 1sct n SER 28 Cb 0.08 0.07 0.13 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.78 0.82 -3.22 -3.33 2.07 -1.40 -3.23 116.25 109.74 1sct h VAL 29 Ca 0.00 -0.19 -0.63 0.00 0.82 0.00 0.00 66.70 66.71 1sct h VAL 29 Cb 0.51 0.23 -0.41 0.00 -1.52 0.00 0.00 31.29 30.10 1sct h VAL 29 CO 0.00 0.10 -0.66 -0.62 0.02 0.00 0.00 177.57 176.41 1sct s ASP 30 N -5.46 4.13 0.11 0.57 2.15 -1.26 -4.98 116.67 111.93 1sct s ASP 30 Ca -0.13 -3.00 -0.25 0.00 0.43 0.00 0.00 52.55 49.60 1sct s ASP 30 Cb 0.18 -1.45 -0.08 0.00 -0.30 0.00 0.00 42.92 41.27 1sct s ASP 30 CO 0.76 -0.22 1.66 0.24 -0.17 0.00 0.00 175.17 177.44 1sct h MET 31 N 6.43 -0.32 -0.06 4.34 2.86 -1.76 -0.42 114.93 125.99 1sct h MET 31 Ca -0.03 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1sct h MET 31 Cb 0.89 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 1sct h MET 31 CO 0.63 -0.22 0.03 1.49 1.06 0.00 0.00 176.91 179.90 1sct h GLU 32 N -0.34 0.09 -0.30 1.72 4.81 -1.92 -1.51 114.58 117.13 1sct h GLU 32 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 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 -0.13 0.19 0.19 0.78 -0.73 0.00 0.00 179.01 179.32 1sct h GLY 33 N -0.04 0.43 1.51 1.92 0.00 -1.94 -0.59 103.07 104.36 1sct h GLY 33 Ca 0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 1sct h GLY 33 CO -0.00 0.16 -0.37 -0.84 0.00 0.00 0.00 176.54 175.49 1sct h THR 34 N 0.40 1.29 -0.16 4.70 2.02 -1.07 -1.38 112.91 118.71 1sct h THR 34 Ca 0.11 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 1sct h THR 34 Cb -0.02 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1sct h THR 34 CO -0.02 0.47 0.09 1.23 0.37 0.00 0.00 175.52 177.66 1sct h GLY 35 N 1.06 0.24 1.19 2.16 0.00 -0.98 0.91 103.07 107.64 1sct h GLY 35 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1sct h GLY 35 CO 0.07 0.10 0.42 1.41 0.00 0.00 0.00 176.54 178.55 1sct h LEU 36 N 0.15 0.95 -0.42 3.11 4.07 -1.05 -1.67 115.31 120.46 1sct h LEU 36 Ca 0.06 -0.08 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 1sct h LEU 36 Cb 0.07 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.57 1sct h LEU 36 CO -0.01 0.76 -0.50 -0.03 -1.08 0.00 0.00 178.44 177.58 1sct h MET 37 N 1.08 0.76 -0.64 1.13 4.05 -0.70 -1.10 114.93 119.51 1sct h MET 37 Ca 0.27 -0.46 -0.08 0.00 -0.28 0.00 0.00 59.70 59.16 1sct h MET 37 Cb 0.02 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1sct h MET 37 CO -0.04 1.08 0.10 1.25 0.23 0.00 0.00 176.91 179.53 1sct h LEU 38 N 0.60 1.01 -0.20 3.39 5.85 -0.43 -1.00 115.31 124.53 1sct h LEU 38 Ca 0.02 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.38 1sct h LEU 38 Cb 1.08 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1sct h LEU 38 CO 0.11 1.01 -0.37 0.24 -0.34 0.00 0.00 178.44 179.08 1sct h MET 39 N 0.99 0.60 -0.66 1.25 2.86 -1.27 -1.54 114.93 117.17 1sct h MET 39 Ca 0.20 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1sct h MET 39 Cb 0.43 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1sct h MET 39 CO 0.01 0.99 0.43 0.00 1.06 0.00 0.00 176.91 179.41 1sct h ALA 40 N 0.60 0.83 -0.28 6.32 0.00 -0.96 -0.83 119.26 124.94 1sct h ALA 40 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1sct h ALA 40 Cb 0.97 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1sct h ALA 40 CO 0.08 0.26 -0.15 -0.91 0.00 0.00 0.00 179.25 178.53 1sct h ASN 41 N 0.89 0.48 -0.60 0.00 2.35 -1.13 -2.47 115.58 115.10 1sct h ASN 41 Ca 0.24 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1sct h ASN 41 Cb -0.10 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1sct h ASN 41 CO -0.05 0.66 0.22 0.25 -1.65 0.00 0.00 177.43 176.86 1sct h LEU 42 N 0.45 0.85 -1.20 1.61 5.85 -0.32 -2.35 115.31 120.20 1sct h LEU 42 Ca 0.08 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1sct h LEU 42 Cb 0.54 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1sct h LEU 42 CO 0.03 0.80 -0.40 -0.26 -0.34 0.00 0.00 178.44 178.28 1sct h PHE 43 N 0.84 0.00 -0.25 1.25 0.04 -0.88 0.14 116.94 118.09 1sct h PHE 43 Ca 0.20 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.81 1sct h PHE 43 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1sct h PHE 43 CO 0.01 0.40 -0.49 0.87 -0.60 0.00 0.00 178.31 178.50 1sct h LYS 44 N 0.00 0.67 0.13 1.51 1.57 -1.30 -3.26 116.57 115.90 1sct h LYS 44 Ca -0.00 -0.39 -0.19 0.00 -1.87 0.00 0.00 60.65 58.19 1sct h LYS 44 Cb 0.71 0.03 0.02 0.00 0.08 0.00 0.00 32.23 33.08 1sct h LYS 44 CO 0.05 1.01 -0.83 1.15 -0.57 0.00 0.00 179.45 180.26 1sct h THR 45 N 0.53 1.49 -3.51 -0.16 2.02 -1.25 -3.41 112.91 108.62 1sct h THR 45 Ca 0.02 -2.48 -0.65 0.00 0.77 0.00 0.00 66.41 64.07 1sct h THR 45 Cb 1.05 3.10 -0.40 0.00 -1.74 0.00 0.00 68.15 70.16 1sct h THR 45 CO 0.10 0.71 -0.64 -0.44 0.37 0.00 0.00 175.52 175.62 1sct s SER 46 N -6.99 4.60 0.65 4.18 0.01 0.48 -4.92 113.70 111.72 1sct s SER 46 Ca -0.13 -2.64 0.36 0.00 1.31 0.00 0.00 55.95 54.84 1sct s SER 46 Cb 0.01 -1.66 1.99 0.00 0.21 0.00 0.00 66.02 66.57 1sct s SER 46 CO 0.84 -0.31 2.17 1.55 0.41 0.00 0.00 173.24 177.90 1sct h PRO 47 N 7.02 0.00 -0.46 12.44 0.13 -1.79 -1.79 132.00 147.54 1sct h PRO 47 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1sct h PRO 47 Cb 0.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1sct h PRO 47 CO 0.63 0.00 0.05 0.66 -0.23 0.00 0.00 178.00 179.11 1sct h SER 48 N 0.00 0.76 -1.00 1.44 4.64 -1.91 -3.03 113.55 114.45 1sct h SER 48 Ca 0.02 -0.28 0.10 0.00 -0.47 0.00 0.00 61.79 61.17 1sct h SER 48 Cb 0.32 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 62.13 1sct h SER 48 CO -0.00 0.84 0.63 0.00 -0.87 0.00 0.00 176.83 177.44 1sct h ALA 49 N 0.94 1.50 -1.10 5.18 0.00 -1.66 -2.19 119.26 121.93 1sct h ALA 49 Ca 0.14 0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.36 1sct h ALA 49 Cb 0.42 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1sct h ALA 49 CO 0.01 0.28 0.75 0.87 0.00 0.00 0.00 179.25 181.17 1sct h LYS 50 N 1.04 0.18 -0.17 0.00 1.57 -1.59 0.19 116.57 117.79 1sct h LYS 50 Ca 0.47 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 59.07 1sct h LYS 50 Cb 0.40 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1sct h LYS 50 CO -0.23 0.12 -0.59 0.78 -0.57 0.00 0.00 179.45 178.96 1sct h GLY 51 N 0.19 0.61 2.00 3.86 0.00 -1.55 -2.69 103.07 105.48 1sct h GLY 51 Ca 0.58 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1sct h GLY 51 CO -0.16 0.66 -0.12 0.50 0.00 0.00 0.00 176.54 177.43 1sct h LYS 52 N 0.41 0.00 -0.76 4.80 1.79 -0.71 -2.20 116.57 119.91 1sct h LYS 52 Ca -0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1sct h LYS 52 Cb 1.15 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.60 1sct h LYS 52 CO 0.11 0.12 0.36 1.19 -1.08 0.00 0.00 179.45 180.15 1sct n PHE 53 N -4.08 2.41 -0.35 -1.35 3.72 -1.03 -4.62 117.46 112.16 1sct n PHE 53 Ca -0.02 -1.53 0.17 0.00 -0.05 0.00 0.00 57.45 56.02 1sct n PHE 53 Cb 0.20 -0.75 0.38 0.00 -0.94 0.00 0.00 39.48 38.38 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 1.64 1.80 -0.87 4.37 0.00 -1.26 -0.98 119.26 123.97 1sct h ALA 54 Ca 0.40 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.51 1sct h ALA 54 Cb 2.40 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 20.12 1sct h ALA 54 CO 0.81 -0.25 0.52 -0.09 0.00 0.00 0.00 179.25 180.24 1sct h ARG 55 N 0.60 0.86 0.00 0.00 2.43 -1.86 -2.67 114.38 113.74 1sct h ARG 55 Ca 0.63 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1sct h ARG 55 Cb 1.18 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1sct h ARG 55 CO -0.44 0.57 0.00 1.28 -1.51 0.00 0.00 179.97 179.87 1sct n LEU 56 N -4.68 0.03 0.00 3.80 4.77 -0.37 -4.99 117.00 115.55 1sct n LEU 56 Ca 0.14 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1sct n LEU 56 Cb 0.26 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1sct n LEU 56 CO 0.28 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1sct n GLY 57 N -0.38 0.42 3.48 -0.72 0.00 -1.01 -4.57 105.19 102.43 1sct n GLY 57 Ca 0.03 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 6.64 0.32 1.61 -1.08 -1.26 -4.79 116.67 114.10 1sct s ASP 58 Ca 0.00 -1.98 0.25 0.00 -0.52 0.00 0.00 52.55 50.29 1sct s ASP 58 Cb 0.00 -2.44 1.12 0.00 -1.46 0.00 0.00 42.92 40.14 1sct s ASP 58 CO 0.00 -1.15 1.75 1.62 0.52 0.00 0.00 175.17 177.91 1sct h VAL 59 N 5.97 0.00 -0.01 1.11 3.04 -1.92 -1.80 116.25 122.65 1sct h VAL 59 Ca 0.19 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1sct h VAL 59 Cb 1.01 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1sct h VAL 59 CO 1.20 0.00 -0.06 -1.54 -1.01 0.00 0.00 177.57 176.17 1sct n SER 60 N -2.35 0.97 -0.05 3.17 3.41 -1.26 -3.41 113.62 114.10 1sct n SER 60 Ca 0.01 -1.15 0.14 0.00 -0.26 0.00 0.00 58.87 57.61 1sct n SER 60 Cb 0.18 0.01 0.60 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.37 2.70 -0.72 7.33 0.00 -0.68 -5.01 120.51 123.77 1sct n ALA 61 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1sct n ALA 61 Cb 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.36 2.33 0.36 0.00 0.00 -1.22 -3.01 105.19 105.01 1sct n GLY 62 Ca 0.11 -0.49 0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.95 0.21 116.57 120.09 1sct h LYS 63 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sct h LYS 63 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sct h LYS 63 CO 0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 1sct n ASP 64 N -3.62 0.44 -4.49 4.20 8.00 -1.16 -4.21 116.55 115.70 1sct n ASP 64 Ca 0.04 0.57 -0.43 0.00 0.71 0.00 0.00 54.79 55.69 1sct n ASP 64 Cb 0.49 -0.68 -0.09 0.00 -0.02 0.00 0.00 41.12 40.82 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 -3.83 6.17 0.38 -2.24 3.84 0.75 -4.96 114.94 115.06 1sct s ASN 65 Ca 0.09 -0.64 0.20 0.00 0.21 0.00 0.00 52.86 52.72 1sct s ASN 65 Cb 0.12 -2.21 0.53 0.00 -0.55 0.00 0.00 41.25 39.15 1sct s ASN 65 CO 0.46 -0.51 1.66 0.77 -2.79 0.00 0.00 177.10 176.69 1sct h SER 66 N 8.66 0.00 -0.31 -4.21 4.64 -1.82 -1.72 113.55 118.79 1sct h SER 66 Ca -0.27 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1sct h SER 66 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1sct h SER 66 CO 0.76 0.31 0.08 0.11 -0.87 0.00 0.00 176.83 177.22 1sct h LYS 67 N 0.00 0.50 -0.42 4.77 1.57 -1.93 0.98 116.57 122.04 1sct h LYS 67 Ca -0.00 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1sct h LYS 67 Cb 1.02 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1sct h LYS 67 CO 0.04 0.57 -0.16 1.25 -0.57 0.00 0.00 179.45 180.58 1sct h LEU 68 N 0.35 0.78 -0.14 2.94 5.85 -1.78 -0.45 115.31 122.86 1sct h LEU 68 Ca 0.10 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1sct h LEU 68 Cb 0.29 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1sct h LEU 68 CO 0.00 0.95 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.93 1sct h ARG 69 N 0.70 0.27 -0.34 1.25 2.43 -1.17 0.64 114.38 118.16 1sct h ARG 69 Ca 0.11 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1sct h ARG 69 Cb 0.66 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1sct h ARG 69 CO 0.05 0.55 0.07 0.78 -1.51 0.00 0.00 179.97 179.91 1sct h GLY 70 N -0.03 0.40 0.98 2.80 0.00 -0.59 -2.46 103.07 104.16 1sct h GLY 70 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1sct h GLY 70 CO 0.01 -0.02 0.04 0.84 0.00 0.00 0.00 176.54 177.42 1sct h HIS 71 N 0.20 0.09 -0.97 5.60 -0.00 -0.90 -2.36 115.15 116.82 1sct h HIS 71 Ca 0.16 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.55 1sct h HIS 71 Cb 0.17 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.50 1sct h HIS 71 CO -0.18 0.08 0.64 0.77 -0.00 0.00 0.00 177.93 179.24 1sct h SER 72 N 0.08 1.10 -0.20 3.26 0.02 -0.66 -0.14 113.55 117.01 1sct h SER 72 Ca 0.03 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1sct h SER 72 Cb 0.01 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1sct h SER 72 CO -0.01 0.78 -0.49 0.40 -1.14 0.00 0.00 176.83 176.38 1sct h ILE 73 N 1.29 1.31 -0.59 3.27 2.04 -1.42 -3.02 117.51 120.39 1sct h ILE 73 Ca 0.36 -1.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 1sct h ILE 73 Cb -0.11 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1sct h ILE 73 CO -0.09 0.54 0.16 0.74 0.00 0.00 0.00 178.15 179.50 1sct h THR 74 N 0.39 1.23 -0.96 -0.27 2.02 -0.95 -1.33 112.91 113.05 1sct h THR 74 Ca -0.00 -0.83 0.16 0.00 0.77 0.00 0.00 66.41 66.51 1sct h THR 74 Cb 1.10 0.61 -0.10 0.00 -1.74 0.00 0.00 68.15 68.02 1sct h THR 74 CO 0.11 0.31 0.57 0.25 0.37 0.00 0.00 175.52 177.13 1sct h LEU 75 N 0.87 0.75 -0.92 2.58 7.12 -1.00 -0.31 115.31 124.40 1sct h LEU 75 Ca 0.19 0.09 -0.10 0.00 0.13 0.00 0.00 57.88 58.18 1sct h LEU 75 Cb 0.29 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 1sct h LEU 75 CO -0.00 0.31 -0.49 0.24 -0.13 0.00 0.00 178.44 178.36 1sct h MET 76 N 0.78 0.00 0.00 1.25 2.86 -1.12 -2.24 114.93 116.46 1sct h MET 76 Ca 0.53 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.15 1sct h MET 76 Cb 0.74 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 1sct h MET 76 CO -0.35 0.49 -0.11 1.88 1.06 0.00 0.00 176.91 179.88 1sct h TYR 77 N 0.00 0.00 -0.04 -0.22 0.05 -0.84 -1.80 116.97 114.11 1sct h TYR 77 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.61 1sct h TYR 77 Cb 0.95 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 1sct h TYR 77 CO 0.00 0.11 -0.70 0.00 -1.05 0.00 0.00 178.16 176.51 1sct h ALA 78 N 1.89 0.73 -0.09 3.88 0.00 -0.78 -1.66 119.26 123.24 1sct h ALA 78 Ca -0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.10 1sct h ALA 78 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sct h ALA 78 CO 0.01 0.80 -0.78 -0.07 0.00 0.00 0.00 179.25 179.21 1sct h LEU 79 N 0.15 0.63 -0.58 0.00 3.38 -1.23 -1.87 115.31 115.80 1sct h LEU 79 Ca -0.02 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.60 1sct h LEU 79 Cb 1.25 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1sct h LEU 79 CO 0.11 1.20 0.24 -0.61 0.09 0.00 0.00 178.44 179.47 1sct h GLN 80 N 0.35 0.44 -0.47 1.13 5.75 -1.27 -0.55 115.11 120.48 1sct h GLN 80 Ca -0.05 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1sct h GLN 80 Cb 1.38 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.79 1sct h GLN 80 CO 0.14 0.29 0.24 -0.97 -2.65 0.00 0.00 178.83 175.88 1sct h ASN 81 N 0.45 0.34 -0.25 -0.69 -0.73 -1.06 0.17 115.58 113.81 1sct h ASN 81 Ca 0.28 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.46 1sct h ASN 81 Cb 0.29 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1sct h ASN 81 CO -0.25 0.24 0.08 -0.26 -0.37 0.00 0.00 177.43 176.86 1sct h PHE 82 N 0.47 0.41 -0.78 0.67 0.04 -0.87 -2.47 116.94 114.40 1sct h PHE 82 Ca 0.21 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.94 1sct h PHE 82 Cb 0.12 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1sct h PHE 82 CO -0.10 0.45 0.52 0.28 -0.60 0.00 0.00 178.31 178.86 1sct h VAL 83 N 0.24 1.20 0.00 -0.55 2.07 -0.75 -1.00 116.25 117.47 1sct h VAL 83 Ca 0.08 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1sct h VAL 83 Cb 0.23 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1sct h VAL 83 CO -0.00 0.19 0.00 0.47 0.02 0.00 0.00 177.57 178.25 1sct n ASP 84 N -4.54 0.11 -1.02 0.57 8.00 0.58 -2.61 116.55 117.63 1sct n ASP 84 Ca 0.08 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.23 1sct n ASP 84 Cb 0.02 -0.55 0.19 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.54 2.45 0.24 2.24 0.00 -0.38 -4.65 120.51 118.87 1sct n ALA 85 Ca 0.03 -0.83 0.08 0.00 0.00 0.00 0.00 53.44 52.72 1sct n ALA 85 Cb 0.15 -0.87 0.37 0.00 0.00 0.00 0.00 19.45 19.10 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 1.33 0.35 -0.87 0.00 4.77 -1.07 -2.21 117.00 119.28 1sct n LEU 86 Ca 0.17 0.63 0.09 0.00 -0.03 0.00 0.00 56.01 56.87 1sct n LEU 86 Cb 0.58 -0.63 0.15 0.00 -2.33 0.00 0.00 43.42 41.19 1sct n LEU 86 CO 0.15 -0.61 0.61 0.47 -1.33 0.00 0.00 177.39 176.68 1sct n ASP 87 N -1.93 2.94 -3.65 -1.43 8.00 -1.26 -4.42 116.55 114.80 1sct n ASP 87 Ca 0.01 -1.86 -0.29 0.00 0.71 0.00 0.00 54.79 53.36 1sct n ASP 87 Cb 0.10 -0.15 -0.16 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.34 3.41 0.22 -2.24 -1.08 -0.94 -5.01 116.67 109.68 1sct s ASP 88 Ca 0.28 -1.21 -0.09 0.00 -0.52 0.00 0.00 52.55 51.01 1sct s ASP 88 Cb 0.17 -0.55 0.33 0.00 -1.46 0.00 0.00 42.92 41.41 1sct s ASP 88 CO 0.25 -0.39 1.69 0.58 0.52 0.00 0.00 175.17 177.81 1sct h VAL 89 N 6.46 0.58 -0.42 1.11 2.07 -1.89 -0.06 116.25 124.10 1sct h VAL 89 Ca -0.17 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 1sct h VAL 89 Cb 1.05 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1sct h VAL 89 CO 0.41 0.04 -0.17 -0.33 0.02 0.00 0.00 177.57 177.54 1sct h GLU 90 N 0.22 0.79 -0.30 1.57 4.39 -1.95 0.13 114.58 119.43 1sct h GLU 90 Ca 0.34 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1sct h GLU 90 Cb 0.53 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1sct h GLU 90 CO -0.46 0.91 0.04 -0.09 -1.16 0.00 0.00 179.01 178.25 1sct h ARG 91 N 0.70 0.51 -0.77 2.33 2.43 -1.54 -1.78 114.38 116.26 1sct h ARG 91 Ca 0.11 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1sct h ARG 91 Cb 0.67 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1sct h ARG 91 CO 0.05 0.61 0.47 1.25 -1.51 0.00 0.00 179.97 180.85 1sct h LEU 92 N 0.32 0.91 -0.12 3.80 6.46 -0.56 -2.18 115.31 123.95 1sct h LEU 92 Ca 0.09 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1sct h LEU 92 Cb 0.36 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1sct h LEU 92 CO 0.01 0.69 0.06 0.50 -0.62 0.00 0.00 178.44 179.08 1sct h LYS 93 N 1.04 0.17 0.00 1.25 3.64 -0.84 -1.77 116.57 120.06 1sct h LYS 93 Ca 0.28 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1sct h LYS 93 Cb -0.06 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1sct h LYS 93 CO -0.05 0.21 -0.14 0.00 -2.27 0.00 0.00 179.45 177.20 1sct h VAL 95 N 0.00 1.56 0.30 0.00 -1.51 -1.11 -2.43 116.25 113.05 1sct h VAL 95 Ca -0.00 -3.26 -0.01 0.00 -1.23 0.00 0.00 66.70 62.20 1sct h VAL 95 Cb 0.85 2.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.81 1sct h VAL 95 CO 0.02 0.90 -0.20 0.58 -1.23 0.00 0.00 177.57 177.64 1sct h VAL 96 N 0.01 0.59 -0.51 7.19 2.07 -1.20 -1.73 116.25 122.68 1sct h VAL 96 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1sct h VAL 96 Cb 1.84 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 1sct h VAL 96 CO 0.13 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.48 1sct h GLU 97 N -0.48 0.21 0.08 1.57 5.08 -1.24 0.26 114.58 120.05 1sct h GLU 97 Ca -0.03 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1sct h GLU 97 Cb 0.41 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1sct h GLU 97 CO 0.02 0.14 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.81 1sct h LYS 98 N 0.22 -0.27 -0.31 2.33 1.63 -1.29 -2.45 116.57 116.43 1sct h LYS 98 Ca 0.26 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 1sct h LYS 98 Cb 0.35 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1sct h LYS 98 CO -0.35 -0.18 -0.08 0.74 -3.45 0.00 0.00 179.45 176.14 1sct h PHE 99 N -0.28 0.54 -0.53 1.91 0.04 -1.02 -2.53 116.94 115.08 1sct h PHE 99 Ca 0.02 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1sct h PHE 99 Cb 0.29 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1sct h PHE 99 CO -0.16 0.58 0.30 0.00 -0.60 0.00 0.00 178.31 178.44 1sct h ALA 100 N 1.44 0.68 -0.83 2.45 0.00 -0.30 -2.34 119.26 120.36 1sct h ALA 100 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1sct h ALA 100 Cb 0.43 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1sct h ALA 100 CO 0.02 0.19 0.54 0.28 0.00 0.00 0.00 179.25 180.28 1sct h VAL 101 N 0.71 1.09 -0.28 0.00 2.07 -1.01 0.24 116.25 119.07 1sct h VAL 101 Ca 0.19 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1sct h VAL 101 Cb 0.03 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1sct h VAL 101 CO -0.03 0.18 0.16 0.78 0.02 0.00 0.00 177.57 178.68 1sct h ASN 102 N 0.96 0.33 0.31 0.57 4.21 -1.26 -1.94 115.58 118.77 1sct h ASN 102 Ca 0.34 -0.01 -0.33 0.00 1.21 0.00 0.00 56.30 57.51 1sct h ASN 102 Cb 0.13 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.21 1sct h ASN 102 CO -0.11 0.26 -1.87 1.41 -1.29 0.00 0.00 177.43 175.82 1sct n HIS 103 N -4.47 1.03 -0.36 1.19 8.25 0.59 -3.48 115.22 117.97 1sct n HIS 103 Ca 0.01 0.30 -0.02 0.00 -0.26 0.00 0.00 57.72 57.75 1sct n HIS 103 Cb 0.09 -1.16 0.11 0.00 1.12 0.00 0.00 29.99 30.14 1sct n HIS 103 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1sct h ILE 104 N 0.03 1.23 0.00 1.59 2.04 -0.65 -0.30 117.51 121.45 1sct h ILE 104 Ca -0.36 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1sct h ILE 104 Cb 2.03 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1sct h ILE 104 CO 0.08 0.23 0.00 0.78 0.00 0.00 0.00 178.15 179.24 1sct h ASN 105 N 1.28 0.00 -0.53 1.72 4.21 -1.46 -0.66 115.58 120.14 1sct h ASN 105 Ca 0.36 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.87 1sct h ASN 105 Cb -0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.08 1sct h ASN 105 CO -0.09 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.59 1sct n ARG 106 N -2.75 2.83 -3.44 0.81 5.12 -0.21 -4.97 116.66 114.05 1sct n ARG 106 Ca 0.00 -2.36 -0.18 0.00 -1.93 0.00 0.00 57.85 53.38 1sct n ARG 106 Cb 0.21 -1.43 0.09 0.00 -1.16 0.00 0.00 32.46 30.17 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 1.02 -6.78 -3.31 5.56 6.02 -0.26 -5.00 117.38 114.64 1sct n GLN 107 Ca 0.18 0.83 -0.39 0.00 -0.01 0.00 0.00 57.00 57.61 1sct n GLN 107 Cb 0.53 -5.81 -0.07 0.00 1.02 0.00 0.00 30.24 25.91 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 -3.35 5.14 0.91 5.09 -1.09 -0.65 -5.02 121.20 122.25 1sct s ILE 108 Ca 0.11 0.82 -0.14 0.00 -2.23 0.00 0.00 60.65 59.21 1sct s ILE 108 Cb -0.05 -3.78 0.15 0.00 -1.58 0.00 0.00 42.46 37.20 1sct s ILE 108 CO 0.72 0.20 1.23 -0.94 -1.23 0.00 0.00 174.94 174.91 1sct s SER 109 N 1.18 3.56 0.34 3.58 1.04 -1.26 -4.58 113.70 117.56 1sct s SER 109 Ca 0.21 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.30 1sct s SER 109 Cb -0.15 -0.90 0.63 0.00 0.10 0.00 0.00 66.02 65.69 1sct s SER 109 CO 0.09 -2.48 1.84 0.00 0.98 0.00 0.00 173.24 173.66 1sct h ALA 110 N -1.46 1.34 -0.05 5.32 0.00 -1.84 -1.25 119.26 121.32 1sct h ALA 110 Ca -0.46 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 53.99 1sct h ALA 110 Cb 1.29 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1sct h ALA 110 CO 0.52 0.44 -0.76 -0.44 0.00 0.00 0.00 179.25 179.01 1sct h ASP 111 N 0.32 0.75 -0.05 0.00 3.32 -1.93 -0.76 116.42 118.07 1sct h ASP 111 Ca 0.06 -0.71 -0.06 0.00 0.02 0.00 0.00 57.03 56.34 1sct h ASP 111 Cb 0.48 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1sct h ASP 111 CO 0.03 1.35 -0.14 -0.33 -1.72 0.00 0.00 179.24 178.43 1sct h GLU 112 N 0.22 0.37 -0.51 3.56 5.08 -1.88 -2.51 114.58 118.91 1sct h GLU 112 Ca -0.08 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1sct h GLU 112 Cb 1.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1sct h GLU 112 CO 0.15 0.52 -0.16 0.35 -1.00 0.00 0.00 179.01 178.87 1sct h PHE 113 N 0.35 1.13 0.00 4.33 3.57 -1.03 -2.69 116.94 122.60 1sct h PHE 113 Ca 0.07 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1sct h PHE 113 Cb 0.46 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1sct h PHE 113 CO 0.01 1.07 0.00 0.78 -2.23 0.00 0.00 178.31 177.94 1sct h GLY 114 N 0.92 0.00 2.00 2.40 0.00 -0.68 -2.57 103.07 105.13 1sct h GLY 114 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1sct h GLY 114 CO 0.06 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.78 1sct n GLU 115 N -2.59 0.16 0.28 4.80 1.02 -1.01 -2.55 120.64 120.74 1sct n GLU 115 Ca -0.02 0.48 0.18 0.00 -0.02 0.00 0.00 57.16 57.78 1sct n GLU 115 Cb 0.06 -1.86 0.82 0.00 -0.02 0.00 0.00 31.44 30.44 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 0.00 -0.49 -3.67 6.09 -1.66 -3.30 117.51 114.48 1sct h ILE 116 Ca 0.00 -0.33 -0.02 0.00 -1.37 0.00 0.00 64.86 63.14 1sct h ILE 116 Cb 0.24 1.29 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 1sct h ILE 116 CO 0.00 0.00 0.22 0.58 -3.07 0.00 0.00 178.15 175.88 1sct h VAL 117 N 0.00 1.20 0.49 2.19 2.07 -1.76 -1.11 116.25 119.33 1sct h VAL 117 Ca 0.00 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1sct h VAL 117 Cb 0.34 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1sct h VAL 117 CO 0.00 0.22 -0.23 1.23 0.02 0.00 0.00 177.57 178.81 1sct h GLY 118 N 0.64 -0.68 -0.78 2.17 0.00 -1.82 -0.77 103.07 101.82 1sct h GLY 118 Ca 0.17 0.25 0.28 0.00 0.00 0.00 0.00 47.33 48.03 1sct h GLY 118 CO -0.02 -0.25 0.18 -2.55 0.00 0.00 0.00 176.54 173.90 1sct h PRO 119 N -0.73 0.07 -0.48 4.80 0.11 -1.72 0.21 132.00 134.27 1sct h PRO 119 Ca -0.07 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.93 1sct h PRO 119 Cb 0.54 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1sct h PRO 119 CO 0.11 0.05 -0.13 1.25 -0.21 0.00 0.00 178.00 179.07 1sct h LEU 120 N 0.08 0.89 -0.29 2.35 5.85 -0.74 -0.73 115.31 122.72 1sct h LEU 120 Ca 0.62 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1sct h LEU 120 Cb 1.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1sct h LEU 120 CO -0.80 1.03 0.07 -0.09 -0.34 0.00 0.00 178.44 178.30 1sct h ARG 121 N 0.80 0.47 -0.82 1.25 2.43 0.49 -0.70 114.38 118.29 1sct h ARG 121 Ca 0.13 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1sct h ARG 121 Cb 0.66 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1sct h ARG 121 CO 0.05 0.56 0.54 0.37 -1.51 0.00 0.00 179.97 179.97 1sct h GLN 122 N 0.31 1.06 -0.55 0.20 5.75 -1.04 -0.37 115.11 120.47 1sct h GLN 122 Ca 0.09 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.43 1sct h GLN 122 Cb 0.30 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1sct h GLN 122 CO 0.00 0.70 -0.05 1.15 -2.65 0.00 0.00 178.83 177.99 1sct h THR 123 N 1.09 1.26 -0.28 2.39 2.02 -0.95 -2.40 112.91 116.04 1sct h THR 123 Ca 0.31 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1sct h THR 123 Cb -0.09 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1sct h THR 123 CO -0.08 0.42 -0.22 -0.07 0.37 0.00 0.00 175.52 175.95 1sct h LEU 124 N 0.90 0.52 -0.30 2.58 3.38 -0.64 -0.97 115.31 120.79 1sct h LEU 124 Ca 0.15 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1sct h LEU 124 Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1sct h LEU 124 CO 0.04 0.74 -0.01 0.11 0.09 0.00 0.00 178.44 179.41 1sct h LYS 125 N 0.46 0.53 -0.69 1.13 1.57 -0.87 0.17 116.57 118.88 1sct h LYS 125 Ca 0.07 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1sct h LYS 125 Cb 0.63 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1sct h LYS 125 CO 0.05 0.68 0.35 0.00 -0.57 0.00 0.00 179.45 179.95 1sct h ALA 126 N 0.83 1.32 0.10 3.86 0.00 -1.23 0.69 119.26 124.82 1sct h ALA 126 Ca 0.08 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1sct h ALA 126 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sct h ALA 126 CO 0.02 0.54 -1.87 0.00 0.00 0.00 0.00 179.25 177.94 1sct h ARG 127 N 0.96 0.21 0.00 0.00 2.47 -1.05 -3.37 114.38 113.60 1sct h ARG 127 Ca 0.24 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1sct h ARG 127 Cb 0.07 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1sct h ARG 127 CO -0.03 1.03 -0.71 0.52 0.56 0.00 0.00 179.97 181.34 1sct h MET 128 N 0.06 0.00 0.00 0.04 2.86 -0.71 -3.49 114.93 113.69 1sct h MET 128 Ca -0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1sct h MET 128 Cb 2.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 1sct h MET 128 CO 0.10 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.48 1sct n GLY 129 N 1.19 3.34 0.00 8.32 0.00 0.23 -1.09 105.19 117.18 1sct n GLY 129 Ca 0.01 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 5.17 0.00 -0.48 1.61 3.02 -1.26 -2.17 115.26 121.14 1sct n ASN 130 Ca 0.00 -0.61 0.05 0.00 -0.03 0.00 0.00 54.58 53.99 1sct n ASN 130 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.98 0.23 -1.68 3.10 4.02 -0.25 -5.00 117.16 116.59 1sct n TYR 131 Ca 0.13 -0.29 -0.41 0.00 -0.01 0.00 0.00 57.90 57.33 1sct n TYR 131 Cb 0.06 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.38 1sct n TYR 131 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1sct n PHE 132 N 0.45 1.91 -3.98 -0.72 7.35 -0.92 -5.02 117.46 116.53 1sct n PHE 132 Ca 0.08 0.50 -0.09 0.00 -0.76 0.00 0.00 57.45 57.18 1sct n PHE 132 Cb 0.33 -2.34 -0.11 0.00 0.35 0.00 0.00 39.48 37.72 1sct n PHE 132 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 1sct s ASP 133 N -0.64 0.25 0.53 -2.13 1.47 -1.26 -5.02 116.67 109.86 1sct s ASP 133 Ca 0.63 -0.55 0.30 0.00 1.18 0.00 0.00 52.55 54.11 1sct s ASP 133 Cb -0.50 0.14 1.48 0.00 -0.34 0.00 0.00 42.92 43.70 1sct s ASP 133 CO 0.56 -0.37 2.06 -0.08 0.68 0.00 0.00 175.17 178.02 1sct h GLU 134 N 4.28 0.00 -0.29 2.11 4.57 -2.01 -2.55 114.58 120.70 1sct h GLU 134 Ca -0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1sct h GLU 134 Cb 1.20 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1sct h GLU 134 CO 0.46 0.10 0.19 -0.44 -1.18 0.00 0.00 179.01 178.14 1sct h ASP 135 N 0.00 0.32 -0.68 1.04 5.19 -1.99 -0.81 116.42 119.49 1sct h ASP 135 Ca -0.00 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 1sct h ASP 135 Cb 0.38 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 1sct h ASP 135 CO 0.01 0.23 0.14 0.74 -3.12 0.00 0.00 179.24 177.25 1sct h THR 136 N 0.38 1.26 -0.58 0.35 2.02 -1.83 -0.99 112.91 113.53 1sct h THR 136 Ca 0.11 -1.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.18 1sct h THR 136 Cb -0.04 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1sct h THR 136 CO -0.02 0.38 -0.05 0.58 0.37 0.00 0.00 175.52 176.77 1sct h VAL 137 N 1.04 1.27 -0.48 3.16 2.07 -1.35 0.14 116.25 122.10 1sct h VAL 137 Ca 0.21 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1sct h VAL 137 Cb 0.40 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1sct h VAL 137 CO 0.01 0.43 0.20 0.00 0.02 0.00 0.00 177.57 178.23 1sct h ALA 138 N 0.98 0.62 -0.90 1.67 0.00 -0.83 0.31 119.26 121.11 1sct h ALA 138 Ca 0.16 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1sct h ALA 138 Cb 0.61 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1sct h ALA 138 CO 0.04 0.22 0.59 0.00 0.00 0.00 0.00 179.25 180.10 1sct h ALA 139 N 1.04 1.16 -0.31 0.00 0.00 -0.53 -1.72 119.26 118.90 1sct h ALA 139 Ca 0.16 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1sct h ALA 139 Cb 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sct h ALA 139 CO -0.01 0.50 -0.14 -1.49 0.00 0.00 0.00 179.25 178.11 1sct h TRP 140 N 1.19 0.60 -0.27 0.00 4.06 0.21 -2.68 115.95 119.05 1sct h TRP 140 Ca 0.34 -0.10 -0.08 0.00 2.06 0.00 0.00 58.89 61.11 1sct h TRP 140 Cb -0.09 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 1sct h TRP 140 CO -0.01 0.67 -0.17 0.00 -3.56 0.00 0.00 178.44 175.36 1sct h ALA 141 N 1.35 1.21 -0.18 1.49 0.00 -0.35 -1.69 119.26 121.08 1sct h ALA 141 Ca 0.09 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1sct h ALA 141 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sct h ALA 141 CO 0.03 0.51 -0.14 0.77 0.00 0.00 0.00 179.25 180.43 1sct h SER 142 N 0.43 0.28 0.03 0.00 0.02 -0.99 0.18 113.55 113.49 1sct h SER 142 Ca 0.07 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1sct h SER 142 Cb 0.55 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.03 1sct h SER 142 CO 0.04 0.45 -0.50 0.25 -1.14 0.00 0.00 176.83 175.92 1sct h LEU 143 N 0.28 0.40 -1.35 5.07 6.46 -1.31 -3.05 115.31 121.80 1sct h LEU 143 Ca 0.05 -0.81 0.05 0.00 -0.12 0.00 0.00 57.88 57.06 1sct h LEU 143 Cb 0.42 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1sct h LEU 143 CO 0.02 1.16 0.48 0.58 -0.62 0.00 0.00 178.44 180.07 1sct h VAL 144 N -0.32 1.05 0.00 1.05 2.07 -1.18 -1.61 116.25 117.31 1sct h VAL 144 Ca -0.07 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1sct h VAL 144 Cb 1.26 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1sct h VAL 144 CO 0.10 0.15 -0.14 0.00 0.02 0.00 0.00 177.57 177.70 1sct h ALA 145 N 1.59 1.46 -0.39 1.67 0.00 -0.85 -1.91 119.26 120.84 1sct h ALA 145 Ca 0.31 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1sct h ALA 145 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sct h ALA 145 CO -0.10 0.17 -0.22 0.28 0.00 0.00 0.00 179.25 179.38 1sct h VAL 146 N 0.00 1.27 -0.22 0.00 2.07 -1.25 -1.72 116.25 116.41 1sct h VAL 146 Ca -0.00 -1.33 -0.16 0.00 0.82 0.00 0.00 66.70 66.03 1sct h VAL 146 Cb 0.30 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1sct h VAL 146 CO 0.02 0.44 -0.51 0.58 0.02 0.00 0.00 177.57 178.12 1sct h VAL 147 N 0.67 1.30 -0.03 2.57 2.07 -1.45 -2.89 116.25 118.49 1sct h VAL 147 Ca 0.09 -1.72 0.01 0.00 0.82 0.00 0.00 66.70 65.90 1sct h VAL 147 Cb 0.73 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1sct h VAL 147 CO 0.06 0.54 0.03 1.56 0.02 0.00 0.00 177.57 179.78 1sct h GLN 148 N 0.44 0.00 0.00 1.57 4.20 -1.21 -0.94 115.11 119.17 1sct h GLN 148 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1sct h GLN 148 Cb 1.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 1sct h GLN 148 CO 0.11 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.24 1sct h ALA 149 N 1.98 1.01 -0.00 3.87 0.00 -1.09 -3.17 119.26 121.86 1sct h ALA 149 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sct h ALA 149 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sct h ALA 149 CO -0.00 0.04 -0.81 -1.13 0.00 0.00 0.00 179.25 177.35 1sct n SER 150 N -3.15 0.92 -0.19 0.00 3.41 -0.38 -4.60 113.62 109.64 1sct n SER 150 Ca 0.00 -0.82 0.15 0.00 -0.26 0.00 0.00 58.87 57.95 1sct n SER 150 Cb 0.31 0.74 0.78 0.00 -0.26 0.00 0.00 64.21 65.78 1sct n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06