#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 1.18 -0.27 3.15 2.07 -1.86 -2.20 116.25 118.32 1sct h VAL 3 Ca 0.00 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1sct h VAL 3 Cb 0.00 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1sct h VAL 3 CO 0.00 0.16 0.07 0.00 0.02 0.00 0.00 177.57 177.82 1sct h ALA 4 N 0.84 0.29 -0.14 1.67 0.00 -1.98 0.37 119.26 120.31 1sct h ALA 4 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1sct h ALA 4 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sct h ALA 4 CO -0.00 -0.34 0.07 1.49 0.00 0.00 0.00 179.25 180.46 1sct h GLU 5 N 0.18 0.15 -0.32 0.00 4.81 -1.98 0.17 114.58 117.58 1sct h GLU 5 Ca 0.12 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1sct h GLU 5 Cb 0.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1sct h GLU 5 CO -0.15 0.10 -0.19 -0.07 -0.73 0.00 0.00 179.01 177.97 1sct h LEU 6 N 0.15 0.72 -0.77 1.64 3.38 -0.98 -1.77 115.31 117.69 1sct h LEU 6 Ca 0.06 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1sct h LEU 6 Cb 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1sct h LEU 6 CO -0.04 0.99 0.35 0.00 0.09 0.00 0.00 178.44 179.83 1sct h ALA 7 N 0.76 0.99 -0.59 1.53 0.00 -0.10 -1.68 119.26 120.17 1sct h ALA 7 Ca 0.07 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1sct h ALA 7 Cb 0.74 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1sct h ALA 7 CO 0.05 0.58 0.04 -0.97 0.00 0.00 0.00 179.25 178.95 1sct h ASN 8 N 1.09 0.99 -0.66 0.00 -1.24 -0.94 -0.82 115.58 114.00 1sct h ASN 8 Ca 0.26 -0.29 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 1sct h ASN 8 Cb 0.15 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 1sct h ASN 8 CO -0.03 1.03 0.41 0.00 -1.29 0.00 0.00 177.43 177.55 1sct h ALA 9 N 0.99 0.84 0.31 1.57 0.00 -0.79 -0.40 119.26 121.78 1sct h ALA 9 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sct h ALA 9 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sct h ALA 9 CO 0.02 0.30 -0.20 0.28 0.00 0.00 0.00 179.25 179.65 1sct h VAL 10 N 0.89 0.59 -0.02 0.00 2.07 -0.88 -1.63 116.25 117.27 1sct h VAL 10 Ca 0.24 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 1sct h VAL 10 Cb -0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1sct h VAL 10 CO -0.05 0.00 -0.34 0.58 0.02 0.00 0.00 177.57 177.79 1sct h VAL 11 N -0.49 1.25 0.00 2.57 2.07 -1.07 -2.37 116.25 118.20 1sct h VAL 11 Ca -0.03 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1sct h VAL 11 Cb 0.41 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1sct h VAL 11 CO 0.03 0.34 -0.01 0.28 0.02 0.00 0.00 177.57 178.23 1sct h SER 12 N 0.03 0.00 -2.87 0.57 0.02 -0.79 -3.43 113.55 107.09 1sct h SER 12 Ca 0.00 -0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1sct h SER 12 Cb 0.61 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.01 1sct h SER 12 CO 0.04 0.00 0.51 0.21 -1.14 0.00 0.00 176.83 176.45 1sct s ASN 13 N -5.42 6.23 0.15 3.07 3.84 -0.64 -4.89 114.94 117.27 1sct s ASN 13 Ca 0.09 -0.80 -0.11 0.00 0.21 0.00 0.00 52.86 52.25 1sct s ASN 13 Cb 0.08 -2.41 -0.00 0.00 -0.55 0.00 0.00 41.25 38.37 1sct s ASN 13 CO 0.64 -1.33 1.55 0.00 -2.79 0.00 0.00 177.10 175.16 1sct h ALA 14 N 9.44 0.66 -0.56 1.71 0.00 -1.84 -2.76 119.26 125.91 1sct h ALA 14 Ca -0.28 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 1sct h ALA 14 Cb 1.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1sct h ALA 14 CO 1.14 0.61 0.05 -0.44 0.00 0.00 0.00 179.25 180.61 1sct h ASP 15 N 0.80 0.92 -0.80 0.00 3.32 -1.97 -2.70 116.42 115.99 1sct h ASP 15 Ca 0.11 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1sct h ASP 15 Cb 0.74 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1sct h ASP 15 CO 0.06 0.97 0.53 1.56 -1.72 0.00 0.00 179.24 180.64 1sct h GLN 16 N 0.84 1.05 0.00 3.56 4.20 -1.93 -2.30 115.11 120.53 1sct h GLN 16 Ca 0.17 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 1sct h GLN 16 Cb 0.47 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1sct h GLN 16 CO 0.02 0.69 -0.33 0.87 -0.67 0.00 0.00 178.83 179.42 1sct h LYS 17 N 1.08 0.00 -0.40 1.46 1.57 -1.18 -0.44 116.57 118.66 1sct h LYS 17 Ca 0.30 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 1sct h LYS 17 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1sct h LYS 17 CO -0.07 0.33 -0.28 -0.44 -0.57 0.00 0.00 179.45 178.42 1sct h ASP 18 N 0.00 0.94 -0.21 0.86 3.32 -1.26 0.47 116.42 120.53 1sct h ASP 18 Ca -0.00 -0.43 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 1sct h ASP 18 Cb 0.60 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1sct h ASP 18 CO 0.04 1.17 -0.35 -0.07 -1.72 0.00 0.00 179.24 178.32 1sct h LEU 19 N 0.71 0.77 -0.21 1.55 3.38 -1.19 0.96 115.31 121.28 1sct h LEU 19 Ca 0.08 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1sct h LEU 19 Cb 0.86 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1sct h LEU 19 CO 0.08 1.04 0.08 -0.07 0.09 0.00 0.00 178.44 179.66 1sct h LEU 20 N 0.61 0.29 -0.59 1.67 3.38 -0.88 -2.17 115.31 117.63 1sct h LEU 20 Ca 0.06 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1sct h LEU 20 Cb 0.88 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1sct h LEU 20 CO 0.08 0.39 -0.52 0.03 0.09 0.00 0.00 178.44 178.50 1sct h ARG 21 N 0.18 0.50 -0.34 1.13 3.08 -0.73 -1.32 114.38 116.86 1sct h ARG 21 Ca 0.07 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 1sct h ARG 21 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1sct h ARG 21 CO -0.00 0.90 -0.11 1.98 -1.07 0.00 0.00 179.97 181.66 1sct h MET 22 N 0.39 0.68 0.00 0.04 4.05 -0.78 -2.69 114.93 116.63 1sct h MET 22 Ca 0.01 -0.27 -0.15 0.00 -0.28 0.00 0.00 59.70 59.01 1sct h MET 22 Cb 1.05 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.79 1sct h MET 22 CO 0.10 0.86 -0.72 0.66 0.23 0.00 0.00 176.91 178.04 1sct h SER 23 N 0.47 0.00 -0.92 1.39 4.64 -1.36 -3.04 113.55 114.73 1sct h SER 23 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1sct h SER 23 Cb 0.63 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 1sct h SER 23 CO 0.04 0.72 0.52 -0.25 -0.87 0.00 0.00 176.83 177.00 1sct h TRP 24 N 0.00 1.25 -0.43 4.77 2.91 -1.16 0.23 115.95 123.51 1sct h TRP 24 Ca -0.01 -0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.12 1sct h TRP 24 Cb 1.37 -0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 29.60 1sct h TRP 24 CO 0.00 0.85 0.40 0.78 -1.03 0.00 0.00 178.44 179.44 1sct h GLY 25 N 1.29 0.00 0.37 2.65 0.00 -1.36 0.12 103.07 106.14 1sct h GLY 25 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.28 1sct h GLY 25 CO -0.06 0.00 -2.19 -0.62 0.00 0.00 0.00 176.54 173.67 1sct n VAL 26 N -3.95 1.67 0.23 4.60 0.31 -0.28 -3.88 118.33 117.03 1sct n VAL 26 Ca 0.08 -0.62 0.10 0.00 -0.01 0.00 0.00 64.34 63.89 1sct n VAL 26 Cb 0.59 -1.60 0.56 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.04 0.00 -1.41 7.52 3.38 -0.24 -3.02 115.31 121.58 1sct h LEU 27 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1sct h LEU 27 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1sct h LEU 27 CO 0.02 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.21 1sct n SER 28 N -3.55 2.17 -0.25 -0.43 3.41 0.36 -4.07 113.62 111.26 1sct n SER 28 Ca -0.01 -1.73 -0.01 0.00 -0.26 0.00 0.00 58.87 56.86 1sct n SER 28 Cb 0.35 -0.03 0.19 0.00 -0.26 0.00 0.00 64.21 64.47 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 3.31 1.22 -2.80 -3.33 2.07 -1.64 -3.32 116.25 111.77 1sct h VAL 29 Ca 0.00 -0.48 -0.60 0.00 0.82 0.00 0.00 66.70 66.44 1sct h VAL 29 Cb 0.71 0.10 -0.40 0.00 -1.52 0.00 0.00 31.29 30.18 1sct h VAL 29 CO 0.00 0.23 -0.79 -0.62 0.02 0.00 0.00 177.57 176.41 1sct s ASP 30 N -6.33 3.30 0.07 0.57 2.15 -1.26 -5.03 116.67 110.14 1sct s ASP 30 Ca -0.11 -2.47 -0.25 0.00 0.43 0.00 0.00 52.55 50.14 1sct s ASP 30 Cb 0.17 -0.76 -0.16 0.00 -0.30 0.00 0.00 42.92 41.87 1sct s ASP 30 CO 0.80 -0.28 1.62 0.24 -0.17 0.00 0.00 175.17 177.38 1sct h MET 31 N 6.80 -0.17 0.50 4.34 2.86 -1.74 -0.01 114.93 127.51 1sct h MET 31 Ca 0.03 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1sct h MET 31 Cb 0.94 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1sct h MET 31 CO 0.39 -0.03 -0.34 1.49 1.06 0.00 0.00 176.91 179.47 1sct h GLU 32 N -0.26 -0.79 -0.75 1.72 4.81 -1.92 0.11 114.58 117.50 1sct h GLU 32 Ca -0.02 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1sct h GLU 32 Cb 0.21 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 1sct h GLU 32 CO 0.03 -0.53 0.44 0.78 -0.73 0.00 0.00 179.01 179.00 1sct h GLY 33 N -0.82 1.13 1.71 1.92 0.00 -1.96 -0.68 103.07 104.36 1sct h GLY 33 Ca -0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1sct h GLY 33 CO 0.03 0.19 -0.46 -0.84 0.00 0.00 0.00 176.54 175.46 1sct h THR 34 N 0.80 1.33 -0.50 4.70 2.02 -0.89 -1.49 112.91 118.88 1sct h THR 34 Ca 0.34 -1.64 -0.13 0.00 0.77 0.00 0.00 66.41 65.75 1sct h THR 34 Cb 0.21 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1sct h THR 34 CO -0.19 0.50 -0.20 1.23 0.37 0.00 0.00 175.52 177.23 1sct h GLY 35 N 1.24 1.09 0.98 2.16 0.00 -0.01 -0.64 103.07 107.89 1sct h GLY 35 Ca 0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 47.33 46.31 1sct h GLY 35 CO 0.07 0.86 -0.13 -2.00 0.00 0.00 0.00 176.54 175.35 1sct h LEU 36 N 0.87 0.77 -0.52 3.11 5.85 -1.04 -1.42 115.31 122.93 1sct h LEU 36 Ca 0.12 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1sct h LEU 36 Cb 0.77 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1sct h LEU 36 CO 0.06 0.98 0.14 -0.03 -0.34 0.00 0.00 178.44 179.25 1sct h MET 37 N 0.56 0.82 0.03 1.25 4.05 -1.11 0.17 114.93 120.70 1sct h MET 37 Ca 0.09 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1sct h MET 37 Cb 0.66 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1sct h MET 37 CO 0.05 0.78 -0.01 1.25 0.23 0.00 0.00 176.91 179.20 1sct h LEU 38 N 0.71 -0.03 -0.75 3.39 5.85 -0.87 -1.05 115.31 122.57 1sct h LEU 38 Ca 0.16 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1sct h LEU 38 Cb 0.32 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1sct h LEU 38 CO -0.00 -0.02 -0.02 0.24 -0.34 0.00 0.00 178.44 178.30 1sct h MET 39 N -0.04 0.94 -0.79 1.25 2.86 -1.15 -0.18 114.93 117.81 1sct h MET 39 Ca -0.00 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 1sct h MET 39 Cb 0.03 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1sct h MET 39 CO 0.01 0.94 0.37 0.00 1.06 0.00 0.00 176.91 179.29 1sct h ALA 40 N 1.11 1.02 -0.53 6.32 0.00 -0.34 -1.17 119.26 125.66 1sct h ALA 40 Ca 0.16 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1sct h ALA 40 Cb 0.53 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1sct h ALA 40 CO 0.03 0.59 -0.03 -0.91 0.00 0.00 0.00 179.25 178.93 1sct h ASN 41 N 1.12 0.90 -0.16 0.00 2.35 -0.96 -2.84 115.58 115.98 1sct h ASN 41 Ca 0.27 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1sct h ASN 41 Cb 0.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1sct h ASN 41 CO -0.03 0.97 0.10 0.25 -1.65 0.00 0.00 177.43 177.07 1sct h LEU 42 N 0.84 0.20 -2.34 1.61 5.85 -0.14 -2.41 115.31 118.92 1sct h LEU 42 Ca 0.15 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1sct h LEU 42 Cb 0.54 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1sct h LEU 42 CO 0.03 0.20 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.03 1sct h PHE 43 N 0.18 0.00 -0.08 1.25 0.04 -1.03 -0.78 116.94 116.53 1sct h PHE 43 Ca 0.06 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 1sct h PHE 43 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1sct h PHE 43 CO -0.05 0.03 -0.16 0.87 -0.60 0.00 0.00 178.31 178.41 1sct h LYS 44 N 0.00 0.24 -0.52 1.51 1.57 -1.30 -3.29 116.57 114.79 1sct h LYS 44 Ca -0.00 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1sct h LYS 44 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1sct h LYS 44 CO 0.00 0.75 0.25 1.15 -0.57 0.00 0.00 179.45 181.03 1sct h THR 45 N -0.23 1.20 -3.21 -0.16 2.02 -0.81 -3.38 112.91 108.33 1sct h THR 45 Ca 0.00 -0.57 -0.62 0.00 0.77 0.00 0.00 66.41 65.99 1sct h THR 45 Cb 0.74 0.61 -0.40 0.00 -1.74 0.00 0.00 68.15 67.36 1sct h THR 45 CO 0.03 0.22 -0.71 -0.44 0.37 0.00 0.00 175.52 174.99 1sct s SER 46 N -5.92 4.04 0.51 4.18 0.01 -0.39 -4.95 113.70 111.18 1sct s SER 46 Ca -0.13 -2.46 0.31 0.00 1.31 0.00 0.00 55.95 54.99 1sct s SER 46 Cb 0.12 -1.23 1.44 0.00 0.21 0.00 0.00 66.02 66.56 1sct s SER 46 CO 0.77 -0.30 1.83 1.55 0.41 0.00 0.00 173.24 177.49 1sct h PRO 47 N 7.07 0.08 0.00 12.44 0.13 -1.76 -0.17 132.00 149.78 1sct h PRO 47 Ca -0.05 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.89 1sct h PRO 47 Cb 0.95 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 1sct h PRO 47 CO 0.53 0.05 -0.84 0.66 -0.23 0.00 0.00 178.00 178.18 1sct h SER 48 N 0.08 0.15 -0.63 1.44 4.64 -1.92 -3.23 113.55 114.08 1sct h SER 48 Ca 0.52 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.80 1sct h SER 48 Cb 1.93 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.93 1sct h SER 48 CO -0.06 0.92 0.42 0.00 -0.87 0.00 0.00 176.83 177.24 1sct h ALA 49 N 1.07 1.86 -1.12 5.18 0.00 -1.37 0.79 119.26 125.67 1sct h ALA 49 Ca -0.03 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.18 1sct h ALA 49 Cb 1.46 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1sct h ALA 49 CO 0.12 0.03 0.76 0.87 0.00 0.00 0.00 179.25 181.03 1sct h LYS 50 N 0.56 0.18 -0.06 0.00 1.57 -1.63 0.48 116.57 117.67 1sct h LYS 50 Ca 0.28 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.86 1sct h LYS 50 Cb 0.37 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1sct h LYS 50 CO -0.09 0.12 -0.78 0.78 -0.57 0.00 0.00 179.45 178.91 1sct h GLY 51 N 0.18 0.45 2.00 3.86 0.00 -1.02 -3.13 103.07 105.40 1sct h GLY 51 Ca 0.59 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1sct h GLY 51 CO -0.16 0.59 -0.00 0.50 0.00 0.00 0.00 176.54 177.47 1sct h LYS 52 N 0.27 0.00 -0.55 4.80 1.79 -0.87 -3.16 116.57 118.86 1sct h LYS 52 Ca -0.04 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 1sct h LYS 52 Cb 1.37 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.91 1sct h LYS 52 CO 0.13 0.00 0.15 1.19 -1.08 0.00 0.00 179.45 179.85 1sct n PHE 53 N -3.10 1.79 -0.17 -1.35 3.72 -0.94 -4.75 117.46 112.66 1sct n PHE 53 Ca 0.01 -1.28 0.23 0.00 -0.05 0.00 0.00 57.45 56.36 1sct n PHE 53 Cb 0.37 -0.57 0.63 0.00 -0.94 0.00 0.00 39.48 38.97 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 1.88 2.52 -0.85 4.37 0.00 -1.57 -1.59 119.26 124.03 1sct h ALA 54 Ca 0.22 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1sct h ALA 54 Cb 2.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 1sct h ALA 54 CO 0.56 -0.76 0.56 -0.09 0.00 0.00 0.00 179.25 179.51 1sct h ARG 55 N 0.16 0.98 0.00 0.00 2.43 -1.90 -2.15 114.38 113.90 1sct h ARG 55 Ca 0.40 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1sct h ARG 55 Cb 1.34 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1sct h ARG 55 CO -0.07 0.65 0.00 1.28 -1.51 0.00 0.00 179.97 180.32 1sct n LEU 56 N -4.46 0.00 0.00 3.80 4.77 -0.60 -4.97 117.00 115.54 1sct n LEU 56 Ca 0.12 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1sct n LEU 56 Cb 0.15 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1sct n LEU 56 CO 0.34 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1sct n GLY 57 N -0.14 1.25 3.57 -0.72 0.00 -0.81 -4.44 105.19 103.90 1sct n GLY 57 Ca 0.04 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 6.01 0.64 1.61 2.15 -1.26 -4.76 116.67 117.06 1sct s ASP 58 Ca 0.00 -1.73 0.27 0.00 0.43 0.00 0.00 52.55 51.52 1sct s ASP 58 Cb 0.00 -2.58 1.45 0.00 -0.30 0.00 0.00 42.92 41.49 1sct s ASP 58 CO 0.00 -2.01 1.83 0.58 -0.17 0.00 0.00 175.17 175.40 1sct h VAL 59 N 6.28 0.12 0.00 1.11 2.07 -1.93 -1.77 116.25 122.13 1sct h VAL 59 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1sct h VAL 59 Cb 0.94 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1sct h VAL 59 CO 1.35 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.40 1sct n SER 60 N -3.14 0.00 -0.11 0.57 3.41 -1.26 -3.19 113.62 109.90 1sct n SER 60 Ca 0.02 0.13 0.14 0.00 -0.26 0.00 0.00 58.87 58.91 1sct n SER 60 Cb 0.54 -0.38 0.62 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 -1.38 2.75 -0.94 7.33 0.00 -0.66 -4.97 120.51 122.64 1sct n ALA 61 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1sct n ALA 61 Cb 0.27 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.28 3.74 0.29 0.00 0.00 -1.19 -1.65 105.19 107.65 1sct n GLY 62 Ca 0.14 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.50 1.61 3.64 -1.93 -2.84 116.57 115.55 1sct h LYS 63 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1sct h LYS 63 Cb 0.00 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 1sct h LYS 63 CO 0.00 0.03 0.27 -0.25 -2.27 0.00 0.00 179.45 177.23 1sct n ASP 64 N -3.16 5.38 -3.18 4.20 8.00 -0.66 -4.34 116.55 122.79 1sct n ASP 64 Ca -0.00 -2.77 0.02 0.00 0.71 0.00 0.00 54.79 52.74 1sct n ASP 64 Cb 0.26 -0.96 -0.01 0.00 -0.02 0.00 0.00 41.12 40.39 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 0.63 -1.29 0.49 -2.24 3.84 -1.07 -4.86 114.94 110.44 1sct s ASN 65 Ca 0.20 0.10 0.28 0.00 0.21 0.00 0.00 52.86 53.66 1sct s ASN 65 Cb 0.16 1.88 1.17 0.00 -0.55 0.00 0.00 41.25 43.91 1sct s ASN 65 CO 0.01 -0.31 1.92 0.77 -2.79 0.00 0.00 177.10 176.70 1sct h SER 66 N 8.03 0.00 -0.21 -4.21 4.64 -1.83 -1.10 113.55 118.87 1sct h SER 66 Ca -0.03 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.08 1sct h SER 66 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1sct h SER 66 CO 0.17 0.13 -0.68 0.11 -0.87 0.00 0.00 176.83 175.69 1sct h LYS 67 N 0.00 0.84 -0.38 4.77 1.57 -1.94 0.28 116.57 121.71 1sct h LYS 67 Ca -0.00 -0.61 -0.06 0.00 -1.87 0.00 0.00 60.65 58.10 1sct h LYS 67 Cb 0.60 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1sct h LYS 67 CO 0.02 1.23 -0.01 1.25 -0.57 0.00 0.00 179.45 181.37 1sct h LEU 68 N 0.60 0.67 -0.48 2.94 5.85 -1.76 -0.69 115.31 122.43 1sct h LEU 68 Ca -0.02 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1sct h LEU 68 Cb 1.30 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1sct h LEU 68 CO 0.14 0.82 0.31 -0.09 -0.34 0.00 0.00 178.44 179.28 1sct h ARG 69 N 0.50 0.61 -0.38 1.25 2.43 -1.14 0.10 114.38 117.75 1sct h ARG 69 Ca 0.11 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1sct h ARG 69 Cb 0.48 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1sct h ARG 69 CO 0.02 0.40 -0.03 0.78 -1.51 0.00 0.00 179.97 179.63 1sct h GLY 70 N 0.63 0.67 0.83 2.80 0.00 -0.83 -2.26 103.07 104.90 1sct h GLY 70 Ca 0.18 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1sct h GLY 70 CO -0.05 0.40 -0.23 0.84 0.00 0.00 0.00 176.54 177.50 1sct h HIS 71 N 0.58 0.60 -0.47 5.60 -0.00 -0.43 -3.11 115.15 117.91 1sct h HIS 71 Ca 0.12 -0.19 -0.03 0.00 -0.00 0.00 0.00 60.37 60.27 1sct h HIS 71 Cb 0.42 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1sct h HIS 71 CO 0.02 0.87 0.16 0.77 -0.00 0.00 0.00 177.93 179.75 1sct h SER 72 N 0.15 0.63 -0.20 3.26 0.02 -0.52 -2.02 113.55 114.86 1sct h SER 72 Ca 0.02 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 1sct h SER 72 Cb 0.79 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1sct h SER 72 CO 0.05 0.59 -0.42 0.40 -1.14 0.00 0.00 176.83 176.32 1sct h ILE 73 N 0.68 1.32 -0.04 3.27 2.04 -1.49 -2.92 117.51 120.37 1sct h ILE 73 Ca 0.16 -1.64 -0.07 0.00 1.00 0.00 0.00 64.86 64.30 1sct h ILE 73 Cb 0.18 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1sct h ILE 73 CO -0.01 0.51 -0.32 0.74 0.00 0.00 0.00 178.15 179.07 1sct h THR 74 N 0.32 1.24 -0.73 -0.27 2.02 -1.44 -2.26 112.91 111.80 1sct h THR 74 Ca 0.01 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1sct h THR 74 Cb 1.02 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1sct h THR 74 CO 0.09 0.34 0.43 0.25 0.37 0.00 0.00 175.52 177.00 1sct h LEU 75 N 0.07 0.89 -1.26 2.58 6.46 -1.19 -2.38 115.31 120.49 1sct h LEU 75 Ca 0.01 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 1sct h LEU 75 Cb 0.60 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1sct h LEU 75 CO 0.04 0.71 0.04 0.24 -0.62 0.00 0.00 178.44 178.85 1sct h MET 76 N 1.01 0.54 0.00 1.25 2.86 -1.24 -1.27 114.93 118.08 1sct h MET 76 Ca 0.26 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1sct h MET 76 Cb -0.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1sct h MET 76 CO -0.05 0.54 -0.37 1.88 1.06 0.00 0.00 176.91 179.98 1sct h TYR 77 N 0.53 0.00 -0.32 -0.22 -1.99 -1.28 -1.69 116.97 111.99 1sct h TYR 77 Ca 0.12 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 1sct h TYR 77 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1sct h TYR 77 CO 0.01 0.37 -0.26 0.00 -0.00 0.00 0.00 178.16 178.28 1sct h ALA 78 N 1.63 0.96 -0.14 3.88 0.00 -0.76 -1.82 119.26 123.00 1sct h ALA 78 Ca -0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 1sct h ALA 78 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1sct h ALA 78 CO 0.05 0.61 -0.72 -0.07 0.00 0.00 0.00 179.25 179.11 1sct h LEU 79 N 0.55 0.75 -0.82 0.00 3.38 -0.79 -1.84 115.31 116.55 1sct h LEU 79 Ca 0.07 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.63 1sct h LEU 79 Cb 0.73 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1sct h LEU 79 CO 0.06 1.24 0.50 -0.61 0.09 0.00 0.00 178.44 179.72 1sct h GLN 80 N 0.45 0.89 -0.40 1.13 5.75 -1.22 -0.27 115.11 121.43 1sct h GLN 80 Ca -0.03 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1sct h GLN 80 Cb 1.32 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 1sct h GLN 80 CO 0.14 0.59 0.12 -0.97 -2.65 0.00 0.00 178.83 176.05 1sct h ASN 81 N 0.91 0.10 0.11 -0.69 -0.73 -1.01 -0.79 115.58 113.48 1sct h ASN 81 Ca 0.36 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.59 1sct h ASN 81 Cb 0.17 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1sct h ASN 81 CO -0.17 0.09 -0.11 -0.26 -0.37 0.00 0.00 177.43 176.61 1sct h PHE 82 N 0.26 -0.27 -0.20 0.67 0.04 -0.36 -2.44 116.94 114.64 1sct h PHE 82 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1sct h PHE 82 Cb 0.19 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1sct h PHE 82 CO -0.17 -0.16 0.13 0.28 -0.60 0.00 0.00 178.31 177.79 1sct h VAL 83 N -0.24 1.05 0.00 -0.55 2.07 -0.75 -1.82 116.25 116.01 1sct h VAL 83 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1sct h VAL 83 Cb 0.23 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1sct h VAL 83 CO -0.03 0.05 -0.02 0.47 0.02 0.00 0.00 177.57 178.06 1sct n ASP 84 N -4.51 0.54 -1.07 0.57 8.00 -0.33 -3.39 116.55 116.36 1sct n ASP 84 Ca 0.00 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.14 1sct n ASP 84 Cb 0.07 -0.66 0.26 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.69 2.43 0.55 2.24 0.00 -0.69 -4.57 120.51 118.78 1sct n ALA 85 Ca 0.06 -0.96 0.09 0.00 0.00 0.00 0.00 53.44 52.62 1sct n ALA 85 Cb 0.40 -0.94 0.38 0.00 0.00 0.00 0.00 19.45 19.30 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 1.26 0.14 -0.89 0.00 4.77 -1.22 -1.72 117.00 119.34 1sct n LEU 86 Ca 0.20 0.53 0.10 0.00 -0.03 0.00 0.00 56.01 56.80 1sct n LEU 86 Cb 0.54 -0.51 0.14 0.00 -2.33 0.00 0.00 43.42 41.26 1sct n LEU 86 CO 0.15 -0.27 0.61 0.47 -1.33 0.00 0.00 177.39 177.02 1sct n ASP 87 N -1.65 2.94 -3.64 -1.43 8.00 -1.26 -4.47 116.55 115.04 1sct n ASP 87 Ca 0.04 -1.87 -0.28 0.00 0.71 0.00 0.00 54.79 53.39 1sct n ASP 87 Cb 0.21 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.42 3.13 0.19 -2.24 -1.08 -0.70 -5.04 116.67 109.52 1sct s ASP 88 Ca 0.28 -1.04 -0.14 0.00 -0.52 0.00 0.00 52.55 51.14 1sct s ASP 88 Cb 0.18 -0.47 0.20 0.00 -1.46 0.00 0.00 42.92 41.36 1sct s ASP 88 CO 0.25 -0.38 1.67 0.58 0.52 0.00 0.00 175.17 177.82 1sct h VAL 89 N 6.46 0.56 -0.62 1.11 2.07 -1.89 0.14 116.25 124.08 1sct h VAL 89 Ca -0.17 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 1sct h VAL 89 Cb 1.08 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1sct h VAL 89 CO 0.38 0.02 0.03 -0.33 0.02 0.00 0.00 177.57 177.69 1sct h GLU 90 N 0.09 1.08 -0.32 1.57 4.39 -1.96 0.52 114.58 119.95 1sct h GLU 90 Ca 0.26 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1sct h GLU 90 Cb 0.40 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1sct h GLU 90 CO -0.46 1.03 0.17 -0.09 -1.16 0.00 0.00 179.01 178.50 1sct h ARG 91 N 0.99 0.45 -0.57 2.33 2.43 -1.56 -1.14 114.38 117.32 1sct h ARG 91 Ca 0.18 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1sct h ARG 91 Cb 0.53 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1sct h ARG 91 CO 0.03 0.40 0.07 1.25 -1.51 0.00 0.00 179.97 180.20 1sct h LEU 92 N 0.39 0.89 -0.11 3.80 7.12 -0.49 -2.44 115.31 124.47 1sct h LEU 92 Ca 0.11 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.91 1sct h LEU 92 Cb 0.09 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 39.98 1sct h LEU 92 CO -0.02 0.91 0.05 0.11 -0.13 0.00 0.00 178.44 179.36 1sct h LYS 93 N 0.88 0.17 -0.21 1.25 1.57 -0.56 -0.65 116.57 119.01 1sct h LYS 93 Ca 0.18 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1sct h LYS 93 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1sct h LYS 93 CO 0.01 0.26 -0.16 0.00 -0.57 0.00 0.00 179.45 179.00 1sct h VAL 95 N 0.33 0.65 0.15 0.00 -1.51 -1.25 -2.35 116.25 112.27 1sct h VAL 95 Ca 0.06 -1.84 -0.01 0.00 -1.23 0.00 0.00 66.70 63.69 1sct h VAL 95 Cb 0.48 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 1sct h VAL 95 CO 0.03 0.36 -0.07 0.58 -1.23 0.00 0.00 177.57 177.24 1sct h VAL 96 N 0.00 0.95 -0.89 7.19 2.07 -0.41 -2.18 116.25 122.97 1sct h VAL 96 Ca -0.00 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1sct h VAL 96 Cb 1.23 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1sct h VAL 96 CO 0.05 0.10 0.59 -0.33 0.02 0.00 0.00 177.57 178.00 1sct h GLU 97 N -0.40 1.15 -0.07 1.57 5.08 -1.13 0.30 114.58 121.07 1sct h GLU 97 Ca -0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1sct h GLU 97 Cb 0.32 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1sct h GLU 97 CO 0.03 0.76 0.04 -0.22 -1.00 0.00 0.00 179.01 178.62 1sct h LYS 98 N 1.19 0.11 -0.00 2.33 1.63 -1.36 -1.60 116.57 118.86 1sct h LYS 98 Ca 0.34 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.03 1sct h LYS 98 Cb -0.10 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1sct h LYS 98 CO -0.08 0.19 -0.41 0.74 -3.45 0.00 0.00 179.45 176.44 1sct h PHE 99 N -0.00 0.00 0.53 1.91 0.04 -0.60 -2.77 116.94 116.06 1sct h PHE 99 Ca 0.03 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1sct h PHE 99 Cb 0.12 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1sct h PHE 99 CO -0.03 0.41 -0.30 0.00 -0.60 0.00 0.00 178.31 177.79 1sct h ALA 100 N 1.59 -0.79 -0.61 2.45 0.00 -0.14 -2.89 119.26 118.87 1sct h ALA 100 Ca -0.00 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1sct h ALA 100 Cb 0.72 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1sct h ALA 100 CO 0.05 -0.95 0.03 0.28 0.00 0.00 0.00 179.25 178.66 1sct h VAL 101 N -0.78 0.53 -0.19 0.00 2.07 -1.15 0.11 116.25 116.84 1sct h VAL 101 Ca -0.07 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1sct h VAL 101 Cb 0.63 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1sct h VAL 101 CO 0.08 0.03 -0.02 0.78 0.02 0.00 0.00 177.57 178.46 1sct h ASN 102 N 0.15 0.25 0.71 0.57 2.35 -1.29 -2.12 115.58 116.19 1sct h ASN 102 Ca 0.32 -0.03 -0.26 0.00 -0.55 0.00 0.00 56.30 55.78 1sct h ASN 102 Cb 0.51 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1sct h ASN 102 CO -0.49 0.32 -1.32 0.45 -1.65 0.00 0.00 177.43 174.74 1sct h HIS 103 N 0.27 0.17 -0.75 1.19 3.86 -1.14 -2.63 115.15 116.13 1sct h HIS 103 Ca 0.06 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 1sct h HIS 103 Cb 0.22 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1sct h HIS 103 CO 0.00 1.13 0.39 0.82 0.86 0.00 0.00 177.93 181.13 1sct h ILE 104 N 0.03 1.23 -0.76 2.45 2.04 -0.45 0.11 117.51 122.16 1sct h ILE 104 Ca -0.14 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1sct h ILE 104 Cb 1.91 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1sct h ILE 104 CO 0.14 0.26 0.45 0.78 0.00 0.00 0.00 178.15 179.78 1sct h ASN 105 N 1.04 0.92 -0.01 1.72 2.35 -1.39 0.88 115.58 121.08 1sct h ASN 105 Ca 0.26 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1sct h ASN 105 Cb 0.07 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1sct h ASN 105 CO -0.04 0.71 0.00 0.54 -1.65 0.00 0.00 177.43 176.99 1sct n ARG 106 N -4.38 1.08 -3.68 0.81 3.00 -0.83 -4.90 116.66 107.77 1sct n ARG 106 Ca 0.08 -0.12 -0.26 0.00 -0.01 0.00 0.00 57.85 57.55 1sct n ARG 106 Cb 0.07 -1.38 0.07 0.00 0.00 0.00 0.00 32.46 31.22 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 -0.75 -7.33 -2.95 5.56 6.02 0.30 -4.99 117.38 113.24 1sct n GLN 107 Ca 0.18 0.77 -0.40 0.00 -0.01 0.00 0.00 57.00 57.54 1sct n GLN 107 Cb 0.11 -5.78 -0.05 0.00 1.02 0.00 0.00 30.24 25.54 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 -3.32 4.82 0.50 5.09 -1.09 0.31 -4.99 121.20 122.52 1sct s ILE 108 Ca 0.60 1.66 -0.00 0.00 -2.23 0.00 0.00 60.65 60.68 1sct s ILE 108 Cb -0.27 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.48 1sct s ILE 108 CO 0.76 0.31 0.73 -0.94 -1.23 0.00 0.00 174.94 174.56 1sct s SER 109 N 0.31 5.64 0.29 3.58 1.04 -1.26 -4.42 113.70 118.87 1sct s SER 109 Ca 0.41 0.27 0.01 0.00 0.48 0.00 0.00 55.95 57.12 1sct s SER 109 Cb -0.20 -1.38 0.55 0.00 0.10 0.00 0.00 66.02 65.09 1sct s SER 109 CO 0.23 -0.87 1.85 0.00 0.98 0.00 0.00 173.24 175.42 1sct h ALA 110 N 0.22 1.53 0.03 5.32 0.00 -1.88 -0.28 119.26 124.21 1sct h ALA 110 Ca -0.45 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 1sct h ALA 110 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1sct h ALA 110 CO 0.57 0.24 -0.99 -0.44 0.00 0.00 0.00 179.25 178.63 1sct h ASP 111 N 1.00 0.28 0.05 0.00 3.32 -1.94 -2.16 116.42 116.97 1sct h ASP 111 Ca 0.48 -0.26 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 1sct h ASP 111 Cb 0.44 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1sct h ASP 111 CO -0.24 1.11 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.60 1sct h GLU 112 N 0.09 0.49 -0.49 3.56 5.08 -1.77 -3.03 114.58 118.52 1sct h GLU 112 Ca -0.06 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 57.94 1sct h GLU 112 Cb 1.67 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1sct h GLU 112 CO 0.15 0.85 -0.04 0.35 -1.00 0.00 0.00 179.01 179.32 1sct h PHE 113 N 0.40 0.91 0.00 4.33 3.57 -0.98 -2.55 116.94 122.62 1sct h PHE 113 Ca 0.03 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1sct h PHE 113 Cb 0.96 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1sct h PHE 113 CO 0.03 0.86 0.00 0.41 -2.23 0.00 0.00 178.31 177.38 1sct n GLY 114 N -0.51 -0.84 0.18 2.40 0.00 -0.82 -2.93 105.19 102.65 1sct n GLY 114 Ca 0.02 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1sct n GLY 114 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sct h GLU 115 N 0.00 0.00 0.00 1.61 5.08 -1.47 -2.80 114.58 116.99 1sct h GLU 115 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sct h GLU 115 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1sct h GLU 115 CO 0.00 0.00 -0.15 0.97 -1.00 0.00 0.00 179.01 178.83 1sct h ILE 116 N 0.00 0.00 -0.44 3.13 6.09 -1.76 -3.35 117.51 121.18 1sct h ILE 116 Ca 0.00 -0.74 -0.09 0.00 -1.37 0.00 0.00 64.86 62.66 1sct h ILE 116 Cb 0.03 1.65 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 1sct h ILE 116 CO 0.00 0.00 -0.09 0.58 -3.07 0.00 0.00 178.15 175.57 1sct h VAL 117 N 0.00 1.27 0.08 2.19 2.07 -1.77 0.13 116.25 120.23 1sct h VAL 117 Ca 0.00 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1sct h VAL 117 Cb 0.87 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1sct h VAL 117 CO 0.00 0.41 -0.09 1.23 0.02 0.00 0.00 177.57 179.14 1sct h GLY 118 N 0.67 -0.18 0.54 2.17 0.00 -1.79 0.46 103.07 104.94 1sct h GLY 118 Ca 0.11 0.10 0.14 0.00 0.00 0.00 0.00 47.33 47.68 1sct h GLY 118 CO 0.04 -0.10 0.58 -2.55 0.00 0.00 0.00 176.54 174.52 1sct h PRO 119 N -0.20 0.73 -0.25 4.80 0.11 -1.62 -2.27 132.00 133.30 1sct h PRO 119 Ca 0.01 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 1sct h PRO 119 Cb 0.20 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 1sct h PRO 119 CO -0.03 0.48 -0.37 1.25 -0.21 0.00 0.00 178.00 179.12 1sct h LEU 120 N 0.75 0.75 -0.77 2.35 5.85 -0.25 -2.13 115.31 121.86 1sct h LEU 120 Ca 0.45 -0.52 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1sct h LEU 120 Cb 0.66 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1sct h LEU 120 CO -0.21 1.12 0.48 -0.09 -0.34 0.00 0.00 178.44 179.40 1sct h ARG 121 N 0.40 0.88 -0.22 1.25 2.43 -0.42 0.01 114.38 118.71 1sct h ARG 121 Ca 0.02 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1sct h ARG 121 Cb 0.96 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1sct h ARG 121 CO 0.08 0.58 -0.37 1.96 -1.51 0.00 0.00 179.97 180.72 1sct h GLN 122 N 0.91 0.50 -0.20 0.20 1.08 -1.37 -1.31 115.11 114.91 1sct h GLN 122 Ca 0.32 -0.24 -0.17 0.00 -1.45 0.00 0.00 58.65 57.12 1sct h GLN 122 Cb 0.09 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1sct h GLN 122 CO -0.14 0.80 -0.57 1.15 -0.95 0.00 0.00 178.83 179.11 1sct h THR 123 N 0.42 1.31 -0.56 -0.54 2.02 -1.05 -2.39 112.91 112.12 1sct h THR 123 Ca 0.04 -1.81 -0.07 0.00 0.77 0.00 0.00 66.41 65.34 1sct h THR 123 Cb 0.84 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1sct h THR 123 CO 0.07 0.57 0.08 -0.07 0.37 0.00 0.00 175.52 176.54 1sct h LEU 124 N 0.48 0.85 -0.31 2.58 3.38 -0.81 -1.90 115.31 119.58 1sct h LEU 124 Ca 0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1sct h LEU 124 Cb 1.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1sct h LEU 124 CO 0.11 0.86 -0.04 0.50 0.09 0.00 0.00 178.44 179.96 1sct h LYS 125 N 0.85 0.58 -0.65 1.13 3.64 -1.14 -0.88 116.57 120.10 1sct h LYS 125 Ca 0.17 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1sct h LYS 125 Cb 0.38 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1sct h LYS 125 CO 0.01 0.74 0.23 0.00 -2.27 0.00 0.00 179.45 178.16 1sct h ALA 126 N 0.82 1.17 0.05 5.00 0.00 -1.35 -1.81 119.26 123.13 1sct h ALA 126 Ca 0.08 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 1sct h ALA 126 Cb 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1sct h ALA 126 CO 0.02 0.59 -1.57 0.00 0.00 0.00 0.00 179.25 178.29 1sct h ARG 127 N 0.96 0.10 0.00 0.00 2.47 -1.25 -3.35 114.38 113.30 1sct h ARG 127 Ca 0.22 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1sct h ARG 127 Cb 0.23 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1sct h ARG 127 CO -0.01 0.83 -0.62 -1.33 0.56 0.00 0.00 179.97 179.40 1sct n MET 128 N -3.26 0.25 0.00 0.04 2.81 -0.34 -4.99 117.12 111.63 1sct n MET 128 Ca -0.15 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 1sct n MET 128 Cb 1.03 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 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 1.36 4.08 0.00 3.03 0.00 -0.68 -1.59 105.19 111.38 1sct n GLY 129 Ca 0.04 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 7.43 0.00 -0.87 1.61 3.02 -1.26 -2.88 115.26 122.31 1sct n ASN 130 Ca 0.00 -0.11 0.07 0.00 -0.03 0.00 0.00 54.58 54.52 1sct n ASN 130 Cb 0.00 -0.27 0.22 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.27 0.77 -1.73 3.10 4.01 -0.62 -4.99 117.16 116.42 1sct n TYR 131 Ca 0.12 -0.63 -0.41 0.00 -0.16 0.00 0.00 57.90 56.82 1sct n TYR 131 Cb 0.20 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1sct n TYR 131 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1sct n PHE 132 N 0.34 2.54 -3.67 -0.72 7.35 -1.14 -5.02 117.46 117.13 1sct n PHE 132 Ca 0.17 0.49 -0.12 0.00 -0.76 0.00 0.00 57.45 57.23 1sct n PHE 132 Cb 0.64 -2.45 -0.06 0.00 0.35 0.00 0.00 39.48 37.95 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 -0.31 -0.25 0.55 -2.13 -4.77 -1.26 -5.04 116.67 103.47 1sct s ASP 133 Ca 0.56 -0.11 0.29 0.00 -3.30 0.00 0.00 52.55 49.99 1sct s ASP 133 Cb -0.51 0.43 1.62 0.00 -1.09 0.00 0.00 42.92 43.36 1sct s ASP 133 CO 0.61 -0.70 2.15 -0.33 0.70 0.00 0.00 175.17 177.60 1sct h GLU 134 N 2.89 0.00 -0.57 2.11 4.39 -2.00 -2.35 114.58 119.04 1sct h GLU 134 Ca -0.32 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 1sct h GLU 134 Cb 1.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1sct h GLU 134 CO 0.45 0.07 0.08 -0.44 -1.16 0.00 0.00 179.01 178.01 1sct h ASP 135 N 0.00 0.92 -0.36 1.42 3.32 -1.99 -1.23 116.42 118.50 1sct h ASP 135 Ca -0.00 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.81 1sct h ASP 135 Cb 0.20 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1sct h ASP 135 CO 0.01 0.95 0.18 0.74 -1.72 0.00 0.00 179.24 179.40 1sct h THR 136 N 0.85 0.98 -0.57 0.35 2.02 -1.79 -0.55 112.91 114.20 1sct h THR 136 Ca 0.17 -0.13 0.09 0.00 0.77 0.00 0.00 66.41 67.31 1sct h THR 136 Cb 0.43 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.35 1sct h THR 136 CO 0.01 0.07 0.20 0.58 0.37 0.00 0.00 175.52 176.75 1sct h VAL 137 N 0.37 0.78 -0.18 3.16 2.07 -1.45 0.42 116.25 121.42 1sct h VAL 137 Ca 0.15 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1sct h VAL 137 Cb 0.06 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1sct h VAL 137 CO -0.11 0.07 -0.14 0.00 0.02 0.00 0.00 177.57 177.41 1sct h ALA 138 N 1.39 1.42 -0.32 1.67 0.00 -0.32 -0.55 119.26 122.55 1sct h ALA 138 Ca 0.28 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1sct h ALA 138 Cb 0.34 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sct h ALA 138 CO -0.29 0.40 -0.41 0.00 0.00 0.00 0.00 179.25 178.95 1sct h ALA 139 N 1.58 0.48 -0.39 0.00 0.00 0.61 -1.57 119.26 119.98 1sct h ALA 139 Ca 0.06 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1sct h ALA 139 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1sct h ALA 139 CO 0.03 0.60 -0.24 -1.49 0.00 0.00 0.00 179.25 178.14 1sct h TRP 140 N 0.62 0.90 0.00 0.00 4.06 -1.05 -2.76 115.95 117.72 1sct h TRP 140 Ca 0.04 -0.21 -0.09 0.00 2.06 0.00 0.00 58.89 60.69 1sct h TRP 140 Cb 1.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.94 1sct h TRP 140 CO 0.07 0.95 -0.40 0.00 -3.56 0.00 0.00 178.44 175.49 1sct h ALA 141 N 1.05 1.27 -0.08 1.49 0.00 -0.98 -1.35 119.26 120.65 1sct h ALA 141 Ca 0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1sct h ALA 141 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1sct h ALA 141 CO 0.06 0.51 -0.35 0.77 0.00 0.00 0.00 179.25 180.24 1sct h SER 142 N 0.00 0.17 -0.10 0.00 0.02 -1.01 -2.20 113.55 110.42 1sct h SER 142 Ca -0.00 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1sct h SER 142 Cb 0.74 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1sct h SER 142 CO 0.05 0.51 -0.08 0.25 -1.14 0.00 0.00 176.83 176.42 1sct h LEU 143 N 0.14 0.24 -1.20 5.07 6.46 -1.07 -3.14 115.31 121.81 1sct h LEU 143 Ca 0.02 -0.47 0.07 0.00 -0.12 0.00 0.00 57.88 57.38 1sct h LEU 143 Cb 0.69 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.49 1sct h LEU 143 CO 0.05 0.66 0.56 0.58 -0.62 0.00 0.00 178.44 179.67 1sct h VAL 144 N -0.17 1.04 0.00 1.05 2.07 -1.09 -2.06 116.25 117.09 1sct h VAL 144 Ca 0.02 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1sct h VAL 144 Cb 0.58 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1sct h VAL 144 CO 0.02 0.17 -0.19 0.00 0.02 0.00 0.00 177.57 177.59 1sct h ALA 145 N 1.54 1.58 -0.20 1.67 0.00 -1.39 0.26 119.26 122.72 1sct h ALA 145 Ca 0.38 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1sct h ALA 145 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sct h ALA 145 CO -0.14 0.24 -0.38 0.28 0.00 0.00 0.00 179.25 179.25 1sct h VAL 146 N 0.00 1.30 -0.04 0.00 2.07 -1.33 -0.71 116.25 117.54 1sct h VAL 146 Ca -0.00 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 1sct h VAL 146 Cb 0.36 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1sct h VAL 146 CO 0.02 0.47 -0.32 0.58 0.02 0.00 0.00 177.57 178.35 1sct h VAL 147 N 0.36 1.45 -0.44 2.57 2.07 -1.38 -2.85 116.25 118.04 1sct h VAL 147 Ca 0.04 -1.79 0.12 0.00 0.82 0.00 0.00 66.70 65.88 1sct h VAL 147 Cb 0.83 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1sct h VAL 147 CO 0.07 0.51 0.32 1.56 0.02 0.00 0.00 177.57 180.04 1sct h GLN 148 N -0.25 0.04 0.00 1.57 4.20 -0.87 0.39 115.11 120.19 1sct h GLN 148 Ca -0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1sct h GLN 148 Cb 0.99 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1sct h GLN 148 CO 0.06 0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1sct n ALA 149 N -2.61 1.90 -0.14 3.87 0.00 -0.28 -2.64 120.51 120.60 1sct n ALA 149 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1sct n ALA 149 Cb 0.49 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.83 2.84 -0.91 0.00 3.41 0.13 -4.49 113.62 112.78 1sct n SER 150 Ca 0.04 -1.97 0.12 0.00 -0.26 0.00 0.00 58.87 56.81 1sct n SER 150 Cb 0.26 -0.21 0.15 0.00 -0.26 0.00 0.00 64.21 64.15 1sct n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06