#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sct h ASP 2 N 0.00 0.82 -0.34 4.52 3.32 -1.97 0.30 116.42 123.06 1sct h ASP 2 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1sct h ASP 2 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1sct h ASP 2 CO 0.00 0.55 -0.17 0.00 -1.72 0.00 0.00 179.24 177.90 1sct h ALA 3 N 1.35 0.90 -0.24 3.45 0.00 -2.02 -0.20 119.26 122.50 1sct h ALA 3 Ca 0.33 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1sct h ALA 3 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1sct h ALA 3 CO -0.13 0.63 -0.52 0.00 0.00 0.00 0.00 179.25 179.22 1sct h ALA 4 N 1.09 0.39 -0.34 0.00 0.00 -1.57 -2.02 119.26 116.80 1sct h ALA 4 Ca 0.11 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1sct h ALA 4 Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1sct h ALA 4 CO 0.05 0.59 0.19 0.28 0.00 0.00 0.00 179.25 180.36 1sct h VAL 5 N 0.53 1.03 -0.60 0.00 2.07 -0.42 -2.71 116.25 116.15 1sct h VAL 5 Ca 0.00 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1sct h VAL 5 Cb 1.13 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1sct h VAL 5 CO 0.12 0.07 0.40 0.00 0.02 0.00 0.00 177.57 178.18 1sct h ALA 6 N 1.16 1.61 -0.02 1.67 0.00 -0.86 0.10 119.26 122.92 1sct h ALA 6 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sct h ALA 6 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1sct h ALA 6 CO -0.07 0.35 -0.01 -0.22 0.00 0.00 0.00 179.25 179.30 1sct h LYS 7 N 0.78 -0.00 0.08 0.00 3.64 -1.04 0.68 116.57 120.70 1sct h LYS 7 Ca 0.23 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.46 1sct h LYS 7 Cb -0.03 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1sct h LYS 7 CO -0.06 -0.00 -0.63 -0.39 -2.27 0.00 0.00 179.45 176.10 1sct h VAL 8 N -0.00 1.52 0.00 2.00 -1.51 -1.30 -3.27 116.25 113.68 1sct h VAL 8 Ca 0.01 -2.34 -0.01 0.00 -1.23 0.00 0.00 66.70 63.13 1sct h VAL 8 Cb 0.02 3.02 -0.00 0.00 -2.13 0.00 0.00 31.29 32.20 1sct h VAL 8 CO -0.03 0.66 -0.04 0.00 -1.23 0.00 0.00 177.57 176.94 1sct n GLY 10 N 0.53 -1.48 3.22 0.00 0.00 0.23 -4.75 105.19 102.94 1sct n GLY 10 Ca 0.02 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1sct n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sct s SER 11 N -2.96 4.10 0.27 1.61 0.15 -1.05 -4.96 113.70 110.86 1sct s SER 11 Ca 0.15 -0.68 -0.04 0.00 0.70 0.00 0.00 55.95 56.09 1sct s SER 11 Cb 0.19 -1.65 0.35 0.00 -1.71 0.00 0.00 66.02 63.19 1sct s SER 11 CO 0.53 -0.07 1.89 -0.33 1.20 0.00 0.00 173.24 176.45 1sct h GLU 12 N 8.03 1.08 -0.32 5.44 5.08 -1.86 -1.59 114.58 130.44 1sct h GLU 12 Ca -0.38 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 57.68 1sct h GLU 12 Cb 1.13 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1sct h GLU 12 CO 0.60 0.80 -0.50 0.00 -1.00 0.00 0.00 179.01 178.91 1sct h ALA 13 N 1.36 0.51 -0.31 3.43 0.00 -1.95 -0.58 119.26 121.72 1sct h ALA 13 Ca 0.27 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1sct h ALA 13 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1sct h ALA 13 CO -0.04 0.68 -0.03 0.82 0.00 0.00 0.00 179.25 180.68 1sct h ILE 14 N 0.70 1.27 -0.80 0.00 2.04 -1.80 -0.88 117.51 118.03 1sct h ILE 14 Ca 0.03 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1sct h ILE 14 Cb 1.10 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 1sct h ILE 14 CO 0.11 0.33 0.49 0.11 0.00 0.00 0.00 178.15 179.19 1sct h LYS 15 N 0.36 1.08 -0.62 2.37 1.57 -1.28 -0.49 116.57 119.57 1sct h LYS 15 Ca 0.08 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1sct h LYS 15 Cb 0.50 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1sct h LYS 15 CO 0.02 0.76 0.36 0.00 -0.57 0.00 0.00 179.45 180.02 1sct h ALA 16 N 1.26 0.80 -0.12 3.86 0.00 -0.90 -1.28 119.26 122.89 1sct h ALA 16 Ca 0.29 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 1sct h ALA 16 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1sct h ALA 16 CO -0.05 0.30 -0.76 -0.91 0.00 0.00 0.00 179.25 177.83 1sct h ASN 17 N 0.85 0.73 -0.60 0.00 2.35 -0.96 -1.35 115.58 116.60 1sct h ASN 17 Ca 0.22 -0.48 0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1sct h ASN 17 Cb 0.02 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1sct h ASN 17 CO -0.04 1.25 0.39 -0.07 -1.65 0.00 0.00 177.43 177.31 1sct h LEU 18 N 0.42 0.67 -0.20 1.61 3.38 -0.94 -2.25 115.31 118.00 1sct h LEU 18 Ca -0.04 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 1sct h LEU 18 Cb 1.36 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1sct h LEU 18 CO 0.14 0.48 -0.73 0.03 0.09 0.00 0.00 178.44 178.45 1sct h ARG 19 N 0.79 0.80 -0.40 1.13 3.08 -1.13 -1.17 114.38 117.48 1sct h ARG 19 Ca 0.22 -0.63 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 1sct h ARG 19 Cb -0.08 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1sct h ARG 19 CO -0.06 1.24 -0.23 0.07 -1.07 0.00 0.00 179.97 179.93 1sct h ARG 20 N 0.56 0.81 0.00 0.04 0.11 -1.21 0.48 114.38 115.18 1sct h ARG 20 Ca -0.04 -0.33 -0.17 0.00 0.10 0.00 0.00 59.98 59.53 1sct h ARG 20 Cb 1.36 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.38 1sct h ARG 20 CO 0.15 0.96 -0.82 0.66 0.10 0.00 0.00 179.97 181.03 1sct h SER 21 N 0.71 0.07 -0.77 0.08 4.64 -1.39 -2.91 113.55 113.98 1sct h SER 21 Ca 0.10 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1sct h SER 21 Cb 0.75 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1sct h SER 21 CO 0.06 0.85 0.31 -0.25 -0.87 0.00 0.00 176.83 176.93 1sct h TRP 22 N 0.03 1.18 -0.97 4.77 2.91 -0.85 0.19 115.95 123.21 1sct h TRP 22 Ca -0.02 -0.09 0.08 0.00 1.13 0.00 0.00 58.89 60.00 1sct h TRP 22 Cb 1.43 -0.35 -0.07 0.00 -0.51 0.00 0.00 29.16 29.66 1sct h TRP 22 CO 0.01 0.89 0.61 0.78 -1.03 0.00 0.00 178.44 179.70 1sct h GLY 23 N 1.12 1.51 0.83 2.65 0.00 -0.72 0.26 103.07 108.72 1sct h GLY 23 Ca 0.26 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1sct h GLY 23 CO -0.02 0.25 -0.42 -2.08 0.00 0.00 0.00 176.54 174.28 1sct h VAL 24 N 1.06 1.37 -0.71 4.60 2.07 -1.12 -3.31 116.25 120.21 1sct h VAL 24 Ca 0.44 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 1sct h VAL 24 Cb 0.29 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1sct h VAL 24 CO -0.21 0.52 0.27 -0.07 0.02 0.00 0.00 177.57 178.09 1sct h LEU 25 N 0.07 0.99 -1.03 2.57 4.07 -0.05 -2.50 115.31 119.43 1sct h LEU 25 Ca -0.02 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1sct h LEU 25 Cb 1.05 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1sct h LEU 25 CO 0.09 0.89 0.00 -1.54 -1.08 0.00 0.00 178.44 176.80 1sct n SER 26 N -4.28 0.41 0.29 -0.43 3.41 0.82 -1.97 113.62 111.86 1sct n SER 26 Ca 0.06 0.69 0.17 0.00 -0.26 0.00 0.00 58.87 59.53 1sct n SER 26 Cb 0.19 -0.74 0.84 0.00 -0.26 0.00 0.00 64.21 64.24 1sct n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sct h ALA 27 N 2.01 1.11 -1.58 7.33 0.00 -1.58 -3.34 119.26 123.21 1sct h ALA 27 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 1sct h ALA 27 Cb 0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.52 1sct h ALA 27 CO 0.00 0.07 -0.58 0.34 0.00 0.00 0.00 179.25 179.07 1sct s ASP 28 N -5.75 0.11 0.08 0.00 -1.08 -0.83 -5.04 116.67 104.15 1sct s ASP 28 Ca -0.02 -1.15 -0.28 0.00 -0.52 0.00 0.00 52.55 50.58 1sct s ASP 28 Cb 0.12 1.12 -0.17 0.00 -1.46 0.00 0.00 42.92 42.53 1sct s ASP 28 CO 0.53 -0.24 1.66 0.40 0.52 0.00 0.00 175.17 178.04 1sct h ILE 29 N 5.17 0.65 -0.44 4.11 1.08 -1.70 -1.40 117.51 124.99 1sct h ILE 29 Ca 0.03 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1sct h ILE 29 Cb 1.11 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1sct h ILE 29 CO 0.17 0.01 0.28 -0.08 -0.69 0.00 0.00 178.15 177.83 1sct h GLU 30 N -0.49 0.59 -0.03 2.37 4.81 -1.92 -2.31 114.58 117.60 1sct h GLU 30 Ca -0.05 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 1sct h GLU 30 Cb 0.38 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1sct h GLU 30 CO 0.08 0.41 -0.55 0.00 -0.73 0.00 0.00 179.01 178.23 1sct h ALA 31 N 1.14 1.03 -0.31 2.92 0.00 -1.92 -1.37 119.26 120.75 1sct h ALA 31 Ca 0.16 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1sct h ALA 31 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1sct h ALA 31 CO -0.03 0.69 0.18 1.15 0.00 0.00 0.00 179.25 181.23 1sct h THR 32 N 0.07 1.03 0.27 0.00 2.02 -1.09 0.36 112.91 115.57 1sct h THR 32 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1sct h THR 32 Cb 0.99 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1sct h THR 32 CO 0.08 0.07 -0.13 1.23 0.37 0.00 0.00 175.52 177.13 1sct h GLY 33 N 0.36 -0.38 1.10 2.16 0.00 -1.18 0.65 103.07 105.78 1sct h GLY 33 Ca 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1sct h GLY 33 CO -0.06 -0.14 0.50 1.41 0.00 0.00 0.00 176.54 178.25 1sct h LEU 34 N -0.51 1.05 -0.56 3.11 4.07 -1.20 -1.70 115.31 119.57 1sct h LEU 34 Ca -0.04 -0.07 -0.13 0.00 0.08 0.00 0.00 57.88 57.71 1sct h LEU 34 Cb 0.38 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1sct h LEU 34 CO 0.06 0.83 -0.29 -0.03 -1.08 0.00 0.00 178.44 177.93 1sct h MET 35 N 1.20 0.85 -0.48 1.13 4.05 -0.74 -0.77 114.93 120.17 1sct h MET 35 Ca 0.31 -0.38 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1sct h MET 35 Cb -0.02 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1sct h MET 35 CO -0.05 1.02 0.17 1.25 0.23 0.00 0.00 176.91 179.53 1sct h LEU 36 N 0.72 0.69 -0.60 3.39 6.46 -0.37 -0.22 115.31 125.37 1sct h LEU 36 Ca 0.08 -0.19 -0.10 0.00 -0.12 0.00 0.00 57.88 57.55 1sct h LEU 36 Cb 0.84 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1sct h LEU 36 CO 0.07 0.69 -0.04 0.24 -0.62 0.00 0.00 178.44 178.78 1sct h MET 37 N 0.64 1.06 -0.22 1.25 2.86 -1.09 0.26 114.93 119.70 1sct h MET 37 Ca 0.16 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1sct h MET 37 Cb 0.24 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1sct h MET 37 CO -0.01 1.06 0.10 1.03 1.06 0.00 0.00 176.91 180.15 1sct h SER 38 N 0.96 0.29 0.57 1.22 0.87 -1.06 -1.65 113.55 114.76 1sct h SER 38 Ca 0.16 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1sct h SER 38 Cb 0.61 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1sct h SER 38 CO 0.04 0.34 -0.30 0.78 -0.53 0.00 0.00 176.83 177.16 1sct h ASN 39 N 0.22 0.00 -0.27 6.23 2.35 -0.70 -1.89 115.58 121.52 1sct h ASN 39 Ca 0.07 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 1sct h ASN 39 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1sct h ASN 39 CO -0.01 0.30 -0.25 0.25 -1.65 0.00 0.00 177.43 176.07 1sct h LEU 40 N 0.00 0.69 -0.92 1.61 5.85 -0.53 -1.20 115.31 120.81 1sct h LEU 40 Ca -0.00 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1sct h LEU 40 Cb 0.66 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1sct h LEU 40 CO 0.04 1.01 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.88 1sct h PHE 41 N 0.38 0.00 0.00 1.25 0.04 -0.99 -0.83 116.94 116.78 1sct h PHE 41 Ca 0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1sct h PHE 41 Cb 0.80 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 1sct h PHE 41 CO 0.07 0.01 -0.05 1.15 -0.60 0.00 0.00 178.31 178.89 1sct h THR 42 N 0.00 0.07 0.00 -1.55 2.02 -1.30 -2.73 112.91 109.42 1sct h THR 42 Ca -0.00 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 1sct h THR 42 Cb 0.70 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1sct h THR 42 CO 0.00 0.02 -0.35 -0.07 0.37 0.00 0.00 175.52 175.49 1sct h LEU 43 N -1.00 0.00 -6.00 2.58 3.38 -1.26 -3.35 115.31 109.66 1sct h LEU 43 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1sct h LEU 43 Cb 0.09 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.44 1sct h LEU 43 CO -0.00 0.35 -0.94 0.54 0.09 0.00 0.00 178.44 178.48 1sct n ARG 44 N -4.05 1.47 -0.06 1.13 5.12 -0.32 -4.95 116.66 115.01 1sct n ARG 44 Ca -0.02 -3.79 0.25 0.00 -1.93 0.00 0.00 57.85 52.36 1sct n ARG 44 Cb 0.40 -1.66 0.70 0.00 -1.16 0.00 0.00 32.46 30.74 1sct n ARG 44 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1sct h PRO 45 N 3.83 0.00 0.00 5.56 0.13 -1.63 -1.20 132.00 138.69 1sct h PRO 45 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1sct h PRO 45 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1sct h PRO 45 CO 0.60 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.75 1sct h ASP 46 N 0.00 0.00 1.09 1.44 2.03 -1.92 -2.72 116.42 116.34 1sct h ASP 46 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1sct h ASP 46 Cb 1.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.12 1sct h ASP 46 CO -0.00 0.00 -0.07 0.35 -1.03 0.00 0.00 179.24 178.48 1sct n THR 47 N -2.92 0.19 0.28 1.15 -2.24 -0.45 -3.80 114.28 106.49 1sct n THR 47 Ca -0.00 -0.10 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1sct n THR 47 Cb 0.23 -0.44 0.79 0.00 -2.10 0.00 0.00 70.33 68.80 1sct n THR 47 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sct h LYS 48 N 0.00 0.00 -0.75 -0.78 1.57 -1.67 -2.49 116.57 112.45 1sct h LYS 48 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1sct h LYS 48 Cb 0.58 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.80 1sct h LYS 48 CO 0.00 0.06 0.29 1.79 -0.57 0.00 0.00 179.45 181.02 1sct h THR 49 N 0.00 0.64 -0.02 -0.16 1.35 -1.80 -1.39 112.91 111.53 1sct h THR 49 Ca -0.00 -0.14 0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1sct h THR 49 Cb 0.15 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 66.76 1sct h THR 49 CO 0.01 0.08 0.02 1.88 -0.25 0.00 0.00 175.52 177.26 1sct h TYR 50 N 0.42 0.00 -0.93 4.73 0.05 -1.74 -3.25 116.97 116.25 1sct h TYR 50 Ca 0.41 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.71 1sct h TYR 50 Cb 0.64 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.09 1sct h TYR 50 CO -0.18 0.00 0.58 1.19 -1.05 0.00 0.00 178.16 178.71 1sct n PHE 51 N -4.13 2.87 -0.18 4.88 3.72 -0.52 -4.73 117.46 119.38 1sct n PHE 51 Ca -0.02 -1.84 -0.01 0.00 -0.05 0.00 0.00 57.45 55.53 1sct n PHE 51 Cb 0.11 -0.91 0.09 0.00 -0.94 0.00 0.00 39.48 37.83 1sct n PHE 51 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1sct h THR 52 N 1.00 0.68 -0.29 4.37 1.35 -1.68 -2.04 112.91 116.29 1sct h THR 52 Ca 0.60 -0.09 0.09 0.00 -0.55 0.00 0.00 66.41 66.46 1sct h THR 52 Cb 2.73 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 1sct h THR 52 CO 1.04 0.05 0.31 -0.09 -0.25 0.00 0.00 175.52 176.57 1sct h ARG 53 N 0.25 0.00 0.00 4.72 2.43 -1.93 -0.82 114.38 119.04 1sct h ARG 53 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1sct h ARG 53 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1sct h ARG 53 CO -0.37 0.00 -0.16 1.28 -1.51 0.00 0.00 179.97 179.21 1sct n LEU 54 N -3.82 0.28 0.00 3.80 4.77 -0.77 -5.01 117.00 116.25 1sct n LEU 54 Ca 0.04 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1sct n LEU 54 Cb 0.46 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1sct n LEU 54 CO 0.28 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1sct n GLY 55 N 1.46 0.11 3.55 -0.72 0.00 -0.32 -4.44 105.19 104.84 1sct n GLY 55 Ca 0.06 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 1sct n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sct s ASP 56 N -4.00 5.82 0.34 1.61 -1.08 -1.26 -4.81 116.67 113.28 1sct s ASP 56 Ca 0.00 -0.25 0.26 0.00 -0.52 0.00 0.00 52.55 52.04 1sct s ASP 56 Cb 0.00 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 40.03 1sct s ASP 56 CO 0.00 -2.05 1.79 -0.37 0.52 0.00 0.00 175.17 175.05 1sct h VAL 57 N 6.45 0.00 0.00 1.11 -1.51 -1.92 -2.63 116.25 117.75 1sct h VAL 57 Ca -0.22 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1sct h VAL 57 Cb 1.09 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1sct h VAL 57 CO 1.27 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.61 1sct n GLN 58 N -2.45 0.19 0.20 5.19 3.00 -1.26 -3.09 117.38 119.17 1sct n GLN 58 Ca 0.01 0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.17 1sct n GLN 58 Cb 0.23 -1.50 0.54 0.00 0.00 0.00 0.00 30.24 29.50 1sct n GLN 58 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1sct h LYS 59 N 0.00 0.00 0.00 -1.09 1.57 -1.88 -3.48 116.57 111.69 1sct h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sct h LYS 59 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1sct h LYS 59 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1sct n GLY 60 N 0.25 2.74 0.33 3.86 0.00 -1.18 -2.15 105.19 109.04 1sct n GLY 60 Ca 0.02 -0.32 0.16 0.00 0.00 0.00 0.00 46.02 45.88 1sct n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sct h LYS 61 N 0.00 0.00 -0.40 1.61 3.64 -1.93 -0.24 116.57 119.25 1sct h LYS 61 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1sct h LYS 61 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1sct h LYS 61 CO 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 179.45 177.25 1sct h ALA 62 N 1.83 1.37 -1.69 5.00 0.00 -1.85 -3.38 119.26 120.55 1sct h ALA 62 Ca 0.09 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 1sct h ALA 62 Cb 0.45 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 1sct h ALA 62 CO -0.00 0.44 0.77 1.21 0.00 0.00 0.00 179.25 181.67 1sct s ASN 63 N -6.69 6.38 0.45 0.00 3.84 -0.10 -4.90 114.94 113.93 1sct s ASN 63 Ca -0.08 -0.15 0.18 0.00 0.21 0.00 0.00 52.86 53.02 1sct s ASN 63 Cb 0.16 -2.49 1.05 0.00 -0.55 0.00 0.00 41.25 39.41 1sct s ASN 63 CO 0.77 -1.36 1.97 0.77 -2.79 0.00 0.00 177.10 176.46 1sct h SER 64 N 9.43 0.00 -0.24 -4.21 4.64 -1.82 -0.06 113.55 121.29 1sct h SER 64 Ca -0.26 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.92 1sct h SER 64 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1sct h SER 64 CO 1.14 0.21 -0.39 0.11 -0.87 0.00 0.00 176.83 177.03 1sct h LYS 65 N 0.00 0.78 -0.22 4.77 1.57 -1.90 -0.18 116.57 121.38 1sct h LYS 65 Ca -0.00 -0.40 -0.14 0.00 -1.87 0.00 0.00 60.65 58.24 1sct h LYS 65 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1sct h LYS 65 CO 0.03 1.03 -0.43 1.25 -0.57 0.00 0.00 179.45 180.75 1sct h LEU 66 N 0.64 0.57 0.43 2.94 5.85 -1.53 -1.43 115.31 122.79 1sct h LEU 66 Ca 0.05 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1sct h LEU 66 Cb 0.94 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1sct h LEU 66 CO 0.09 0.93 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.81 1sct h ARG 67 N 0.44 -0.57 -0.55 1.25 1.12 -0.82 0.48 114.38 115.72 1sct h ARG 67 Ca 0.03 0.04 0.01 0.00 -1.11 0.00 0.00 59.98 58.95 1sct h ARG 67 Cb 0.93 0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 31.00 1sct h ARG 67 CO 0.08 -0.38 0.37 0.78 -3.11 0.00 0.00 179.97 177.71 1sct h GLY 68 N -0.59 0.77 0.62 2.80 0.00 -1.00 -1.41 103.07 104.26 1sct h GLY 68 Ca -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1sct h GLY 68 CO 0.09 0.27 -0.02 0.84 0.00 0.00 0.00 176.54 177.73 1sct h HIS 69 N 0.73 -0.05 -0.12 5.60 -0.00 -0.94 -2.87 115.15 117.51 1sct h HIS 69 Ca 0.21 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 1sct h HIS 69 Cb -0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1sct h HIS 69 CO -0.00 0.32 -0.22 0.00 -0.00 0.00 0.00 177.93 178.04 1sct h ALA 70 N 0.49 1.41 -0.09 5.26 0.00 -0.55 -0.32 119.26 125.47 1sct h ALA 70 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1sct h ALA 70 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sct h ALA 70 CO 0.01 0.41 -0.24 0.82 0.00 0.00 0.00 179.25 180.25 1sct h ILE 71 N 0.19 1.40 -0.80 0.00 2.04 -1.30 -2.88 117.51 116.16 1sct h ILE 71 Ca 0.03 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.29 1sct h ILE 71 Cb 0.50 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 1sct h ILE 71 CO 0.03 0.45 0.36 0.74 0.00 0.00 0.00 178.15 179.73 1sct h THR 72 N -0.13 1.26 -0.16 -0.27 2.02 -1.37 -2.31 112.91 111.95 1sct h THR 72 Ca -0.00 -0.75 -0.07 0.00 0.77 0.00 0.00 66.41 66.35 1sct h THR 72 Cb 0.85 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1sct h THR 72 CO 0.05 0.32 -0.21 0.25 0.37 0.00 0.00 175.52 176.29 1sct h LEU 73 N 1.14 0.27 -1.26 2.58 6.46 -1.06 -2.24 115.31 121.20 1sct h LEU 73 Ca 0.27 -0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1sct h LEU 73 Cb 0.16 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1sct h LEU 73 CO -0.03 0.50 -0.27 0.74 -0.62 0.00 0.00 178.44 178.76 1sct h THR 74 N 0.25 0.74 0.00 1.05 2.02 -1.20 -1.97 112.91 113.81 1sct h THR 74 Ca 0.04 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1sct h THR 74 Cb 0.52 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1sct h THR 74 CO 0.04 0.26 0.00 1.88 0.37 0.00 0.00 175.52 178.07 1sct h TYR 75 N 0.00 0.00 -0.10 3.16 0.05 -1.13 -1.86 116.97 117.10 1sct h TYR 75 Ca -0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1sct h TYR 75 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1sct h TYR 75 CO 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 178.16 176.72 1sct h ALA 76 N 2.32 0.18 -0.65 3.88 0.00 -1.16 -0.18 119.26 123.66 1sct h ALA 76 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1sct h ALA 76 Cb 0.69 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1sct h ALA 76 CO 0.00 0.28 0.34 -0.07 0.00 0.00 0.00 179.25 179.80 1sct h LEU 77 N 0.00 0.80 -0.38 0.00 3.38 -1.27 -0.18 115.31 117.66 1sct h LEU 77 Ca -0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1sct h LEU 77 Cb 1.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1sct h LEU 77 CO 0.08 0.65 0.04 -1.13 0.09 0.00 0.00 178.44 178.18 1sct h ASN 78 N 0.90 0.62 -0.98 -0.43 -0.00 -1.18 -1.14 115.58 113.36 1sct h ASN 78 Ca 0.23 -0.27 0.01 0.00 -0.00 0.00 0.00 56.30 56.27 1sct h ASN 78 Cb 0.04 -0.16 -0.05 0.00 -0.00 0.00 0.00 38.32 38.15 1sct h ASN 78 CO -0.04 0.73 0.65 -1.13 -0.00 0.00 0.00 177.43 177.65 1sct h ASN 79 N 0.47 1.12 -0.31 1.15 -0.73 -0.50 -1.68 115.58 115.09 1sct h ASN 79 Ca 0.11 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 1sct h ASN 79 Cb 0.39 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 1sct h ASN 79 CO 0.01 0.80 0.10 -0.26 -0.37 0.00 0.00 177.43 177.71 1sct h PHE 80 N 1.32 0.51 -0.44 0.67 0.04 -0.68 -1.98 116.94 116.38 1sct h PHE 80 Ca 0.36 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 61.04 1sct h PHE 80 Cb -0.13 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 1sct h PHE 80 CO -0.00 0.52 0.08 0.28 -0.60 0.00 0.00 178.31 178.58 1sct h VAL 81 N 0.35 1.20 0.00 -0.55 2.07 -1.06 -1.59 116.25 116.67 1sct h VAL 81 Ca 0.10 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1sct h VAL 81 Cb 0.25 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1sct h VAL 81 CO -0.00 0.27 0.00 0.47 0.02 0.00 0.00 177.57 178.33 1sct n ASP 82 N -4.29 0.00 -1.04 0.57 8.00 -0.65 -3.29 116.55 115.85 1sct n ASP 82 Ca 0.03 0.46 0.12 0.00 0.71 0.00 0.00 54.79 56.11 1sct n ASP 82 Cb 0.22 -0.48 0.19 0.00 -0.02 0.00 0.00 41.12 41.03 1sct n ASP 82 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sct n SER 83 N -1.48 3.16 0.20 -2.24 7.64 -0.60 -4.62 113.62 115.67 1sct n SER 83 Ca 0.05 -1.97 0.06 0.00 1.01 0.00 0.00 58.87 58.02 1sct n SER 83 Cb 0.23 -0.14 0.40 0.00 -1.01 0.00 0.00 64.21 63.69 1sct n SER 83 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sct h LEU 84 N 4.43 0.00 -0.01 -3.43 3.38 -1.59 -2.85 115.31 115.23 1sct h LEU 84 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sct h LEU 84 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1sct h LEU 84 CO 0.00 0.34 -0.19 0.47 0.09 0.00 0.00 178.44 179.15 1sct n ASP 85 N -3.69 0.21 -3.86 -0.43 8.00 -1.26 -4.51 116.55 111.01 1sct n ASP 85 Ca -0.01 0.15 -0.30 0.00 0.71 0.00 0.00 54.79 55.34 1sct n ASP 85 Cb 0.44 -0.20 -0.15 0.00 -0.02 0.00 0.00 41.12 41.20 1sct n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sct s ASP 86 N -2.97 4.31 0.32 -2.24 -1.08 -1.08 -5.01 116.67 108.92 1sct s ASP 86 Ca 0.14 -1.81 0.10 0.00 -0.52 0.00 0.00 52.55 50.45 1sct s ASP 86 Cb 0.19 -1.20 0.92 0.00 -1.46 0.00 0.00 42.92 41.37 1sct s ASP 86 CO 0.59 -0.39 1.69 -0.65 0.52 0.00 0.00 175.17 176.93 1sct h PRO 87 N 7.89 0.38 -0.00 4.34 0.11 -1.79 -1.18 132.00 141.74 1sct h PRO 87 Ca -0.10 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.86 1sct h PRO 87 Cb 1.02 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1sct h PRO 87 CO 0.49 0.25 -0.61 0.66 -0.21 0.00 0.00 178.00 178.58 1sct h SER 88 N 0.40 0.01 -0.14 -2.05 4.64 -1.95 0.30 113.55 114.76 1sct h SER 88 Ca 0.66 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.80 1sct h SER 88 Cb 1.37 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.47 1sct h SER 88 CO -0.56 0.62 -0.58 -0.09 -0.87 0.00 0.00 176.83 175.34 1sct h ARG 89 N 0.01 0.64 -0.68 4.77 2.43 -1.53 -1.89 114.38 118.13 1sct h ARG 89 Ca -0.01 -0.50 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 1sct h ARG 89 Cb 1.07 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1sct h ARG 89 CO 0.08 1.12 0.24 1.25 -1.51 0.00 0.00 179.97 181.15 1sct h LEU 90 N 0.31 0.95 -0.09 3.80 5.85 -0.93 -0.55 115.31 124.65 1sct h LEU 90 Ca -0.03 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1sct h LEU 90 Cb 1.21 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1sct h LEU 90 CO 0.12 0.87 0.04 0.50 -0.34 0.00 0.00 178.44 179.63 1sct h LYS 91 N 1.00 0.13 0.00 1.25 3.64 -0.39 -1.02 116.57 121.19 1sct h LYS 91 Ca 0.23 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1sct h LYS 91 Cb 0.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1sct h LYS 91 CO -0.01 0.25 -0.40 0.00 -2.27 0.00 0.00 179.45 177.01 1sct h VAL 93 N 0.00 1.31 -0.10 0.00 2.07 -0.97 -2.13 116.25 116.43 1sct h VAL 93 Ca -0.00 -2.03 -0.18 0.00 0.82 0.00 0.00 66.70 65.31 1sct h VAL 93 Cb 0.97 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1sct h VAL 93 CO 0.05 0.63 -0.69 0.58 0.02 0.00 0.00 177.57 178.16 1sct h VAL 94 N 0.46 1.37 -0.47 2.57 2.07 -0.84 -2.35 116.25 119.06 1sct h VAL 94 Ca -0.05 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.35 1sct h VAL 94 Cb 1.38 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 1sct h VAL 94 CO 0.15 0.63 0.07 -0.33 0.02 0.00 0.00 177.57 178.10 1sct h GLU 95 N 0.30 0.73 -0.25 1.57 5.08 -1.20 0.29 114.58 121.10 1sct h GLU 95 Ca -0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1sct h GLU 95 Cb 1.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1sct h GLU 95 CO 0.12 0.70 0.10 -0.22 -1.00 0.00 0.00 179.01 178.71 1sct h LYS 96 N 0.70 0.37 0.00 2.33 1.63 -1.16 -2.53 116.57 117.92 1sct h LYS 96 Ca 0.15 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.78 1sct h LYS 96 Cb 0.34 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1sct h LYS 96 CO 0.01 0.42 -0.48 0.74 -3.45 0.00 0.00 179.45 176.69 1sct h PHE 97 N 0.25 0.00 -0.77 1.91 0.04 -1.08 -2.94 116.94 114.34 1sct h PHE 97 Ca 0.08 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 1sct h PHE 97 Cb 0.19 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1sct h PHE 97 CO -0.01 0.48 0.33 0.00 -0.60 0.00 0.00 178.31 178.52 1sct h ALA 98 N 1.52 1.13 -0.80 2.45 0.00 -0.78 -2.21 119.26 120.58 1sct h ALA 98 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1sct h ALA 98 Cb 1.11 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1sct h ALA 98 CO 0.06 0.63 0.36 0.28 0.00 0.00 0.00 179.25 180.59 1sct h VAL 99 N 1.11 1.25 -0.36 0.00 2.07 -1.28 0.93 116.25 119.97 1sct h VAL 99 Ca 0.26 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1sct h VAL 99 Cb 0.17 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1sct h VAL 99 CO -0.03 0.31 0.15 0.78 0.02 0.00 0.00 177.57 178.81 1sct h ASN 100 N 1.15 0.45 0.28 0.57 4.21 -1.36 -2.78 115.58 118.10 1sct h ASN 100 Ca 0.27 -0.04 -0.34 0.00 1.21 0.00 0.00 56.30 57.41 1sct h ASN 100 Cb 0.15 -0.11 0.03 0.00 -1.12 0.00 0.00 38.32 37.27 1sct h ASN 100 CO -0.03 0.40 -1.50 0.45 -1.29 0.00 0.00 177.43 175.46 1sct h HIS 101 N 0.50 0.93 -0.72 1.19 3.86 -0.73 -3.27 115.15 116.91 1sct h HIS 101 Ca 0.13 -0.68 0.11 0.00 -1.16 0.00 0.00 60.37 58.76 1sct h HIS 101 Cb 0.09 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.44 1sct h HIS 101 CO 0.00 1.56 0.35 0.82 0.86 0.00 0.00 177.93 181.52 1sct h ILE 102 N 0.14 0.80 0.00 2.45 2.04 -0.81 0.07 117.51 122.20 1sct h ILE 102 Ca -0.26 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1sct h ILE 102 Cb 2.16 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1sct h ILE 102 CO 0.26 0.10 0.00 0.78 0.00 0.00 0.00 178.15 179.30 1sct h ASN 103 N 0.57 0.00 -0.42 1.72 2.35 -1.59 -0.39 115.58 117.82 1sct h ASN 103 Ca 0.37 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.06 1sct h ASN 103 Cb 0.43 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1sct h ASN 103 CO -0.30 0.00 0.04 0.54 -1.65 0.00 0.00 177.43 176.06 1sct n ARG 104 N -2.89 3.38 -2.08 0.81 5.12 -0.10 -4.95 116.66 115.94 1sct n ARG 104 Ca -0.01 -2.99 -0.18 0.00 -1.93 0.00 0.00 57.85 52.74 1sct n ARG 104 Cb 0.17 -2.00 -0.03 0.00 -1.16 0.00 0.00 32.46 29.44 1sct n ARG 104 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1sct n LYS 105 N -0.28 -1.35 -2.95 5.56 5.02 -0.16 -4.96 118.16 119.06 1sct n LYS 105 Ca 0.27 0.93 -0.41 0.00 -2.02 0.00 0.00 58.31 57.08 1sct n LYS 105 Cb 1.06 -5.34 -0.05 0.00 -0.02 0.00 0.00 35.03 30.69 1sct n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sct s ILE 106 N -2.81 4.87 0.71 -0.18 -1.09 -0.52 -5.00 121.20 117.19 1sct s ILE 106 Ca 0.00 1.44 -0.09 0.00 -2.23 0.00 0.00 60.65 59.78 1sct s ILE 106 Cb 0.00 -4.07 0.05 0.00 -1.58 0.00 0.00 42.46 36.86 1sct s ILE 106 CO 0.00 -0.05 1.05 -0.94 -1.23 0.00 0.00 174.94 173.77 1sct s SER 107 N 1.38 5.03 0.46 3.58 1.04 -1.26 -4.35 113.70 119.58 1sct s SER 107 Ca 0.32 0.74 0.12 0.00 0.48 0.00 0.00 55.95 57.62 1sct s SER 107 Cb -0.15 -1.45 1.08 0.00 0.10 0.00 0.00 66.02 65.60 1sct s SER 107 CO 0.08 -1.51 2.09 1.23 0.98 0.00 0.00 173.24 176.10 1sct h GLY 108 N -0.64 0.31 1.16 7.32 0.00 -1.84 -1.72 103.07 107.66 1sct h GLY 108 Ca -0.45 -0.11 -0.24 0.00 0.00 0.00 0.00 47.33 46.53 1sct h GLY 108 CO 0.63 0.10 -0.87 -0.55 0.00 0.00 0.00 176.54 175.84 1sct h ASP 109 N 0.28 0.91 0.04 0.19 3.32 -1.93 -2.60 116.42 116.63 1sct h ASP 109 Ca 0.11 -0.68 -0.08 0.00 0.02 0.00 0.00 57.03 56.40 1sct h ASP 109 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1sct h ASP 109 CO -0.02 1.46 -0.24 0.00 -1.72 0.00 0.00 179.24 178.71 1sct h ALA 110 N 0.48 1.25 -0.73 3.45 0.00 -1.78 -2.27 119.26 119.66 1sct h ALA 110 Ca -0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1sct h ALA 110 Cb 1.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1sct h ALA 110 CO 0.18 0.50 0.22 0.35 0.00 0.00 0.00 179.25 180.49 1sct h PHE 111 N 0.31 1.17 -0.01 0.00 3.57 -1.29 -1.07 116.94 119.61 1sct h PHE 111 Ca 0.05 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1sct h PHE 111 Cb 0.59 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1sct h PHE 111 CO 0.01 0.92 0.10 0.78 -2.23 0.00 0.00 178.31 177.89 1sct h GLY 112 N 1.11 0.00 1.05 2.40 0.00 -1.00 -2.78 103.07 103.84 1sct h GLY 112 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.62 1sct h GLY 112 CO -0.01 0.00 0.43 0.00 0.00 0.00 0.00 176.54 176.96 1sct h ALA 113 N 1.82 1.70 0.00 3.60 0.00 -1.23 -2.04 119.26 123.11 1sct h ALA 113 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1sct h ALA 113 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sct h ALA 113 CO -0.00 -0.52 -0.10 0.97 0.00 0.00 0.00 179.25 179.60 1sct h ILE 114 N 0.00 0.24 0.17 0.00 6.09 -1.71 -3.38 117.51 118.91 1sct h ILE 114 Ca 0.08 -0.91 -0.01 0.00 -1.37 0.00 0.00 64.86 62.66 1sct h ILE 114 Cb 0.94 1.74 0.00 0.00 0.47 0.00 0.00 36.82 39.97 1sct h ILE 114 CO -0.00 0.10 -0.09 0.58 -3.07 0.00 0.00 178.15 175.68 1sct h VAL 115 N 0.00 0.82 -0.42 2.19 2.07 -1.62 0.23 116.25 119.53 1sct h VAL 115 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1sct h VAL 115 Cb 0.73 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1sct h VAL 115 CO 0.01 0.00 -0.27 -0.33 0.02 0.00 0.00 177.57 177.01 1sct h GLU 116 N -0.23 0.91 -0.88 1.57 4.39 -1.83 -1.48 114.58 117.03 1sct h GLU 116 Ca -0.02 -0.43 0.21 0.00 0.34 0.00 0.00 59.36 59.46 1sct h GLU 116 Cb 0.18 -0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.70 1sct h GLU 116 CO 0.03 1.08 0.40 -1.35 -1.16 0.00 0.00 179.01 178.01 1sct h PRO 117 N 0.74 0.42 -0.49 2.33 0.11 -1.75 -0.54 132.00 132.82 1sct h PRO 117 Ca 0.08 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 1sct h PRO 117 Cb 0.84 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1sct h PRO 117 CO 0.07 0.28 0.11 1.98 -0.21 0.00 0.00 178.00 180.23 1sct h MET 118 N 0.44 0.80 -0.56 1.05 1.85 -0.22 -0.88 114.93 117.41 1sct h MET 118 Ca 0.54 -0.20 -0.00 0.00 -0.61 0.00 0.00 59.70 59.43 1sct h MET 118 Cb 0.98 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.88 1sct h MET 118 CO -0.50 0.78 0.33 -0.22 -0.40 0.00 0.00 176.91 176.90 1sct h LYS 119 N 0.68 0.76 -0.63 0.39 3.64 -0.79 -0.56 116.57 120.08 1sct h LYS 119 Ca 0.15 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1sct h LYS 119 Cb 0.35 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1sct h LYS 119 CO 0.00 0.56 0.17 0.93 -2.27 0.00 0.00 179.45 178.84 1sct h GLU 120 N 0.75 0.97 -0.50 1.90 4.39 -0.92 -1.70 114.58 119.48 1sct h GLU 120 Ca 0.20 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1sct h GLU 120 Cb -0.00 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1sct h GLU 120 CO -0.04 0.85 -0.12 1.15 -1.16 0.00 0.00 179.01 179.69 1sct h THR 121 N 0.93 1.27 -0.37 1.13 2.02 -0.47 -2.57 112.91 114.85 1sct h THR 121 Ca 0.20 -1.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 1sct h THR 121 Cb 0.31 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1sct h THR 121 CO -0.00 0.44 0.03 -0.07 0.37 0.00 0.00 175.52 176.29 1sct h LEU 122 N 0.81 0.61 0.13 2.58 3.38 -1.02 -0.10 115.31 121.71 1sct h LEU 122 Ca 0.12 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1sct h LEU 122 Cb 0.68 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1sct h LEU 122 CO 0.05 0.74 -0.10 0.11 0.09 0.00 0.00 178.44 179.33 1sct h LYS 123 N 0.46 -0.23 -0.83 1.13 1.57 -1.30 0.34 116.57 117.71 1sct h LYS 123 Ca 0.11 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1sct h LYS 123 Cb 0.41 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1sct h LYS 123 CO 0.01 -0.15 0.44 0.00 -0.57 0.00 0.00 179.45 179.18 1sct h ALA 124 N 0.62 1.20 0.00 3.86 0.00 -1.39 -2.44 119.26 121.12 1sct h ALA 124 Ca -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1sct h ALA 124 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1sct h ALA 124 CO -0.00 0.63 -0.79 0.00 0.00 0.00 0.00 179.25 179.09 1sct h ARG 125 N 1.17 0.00 0.00 0.00 3.08 -0.92 -3.35 114.38 114.36 1sct h ARG 125 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1sct h ARG 125 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1sct h ARG 125 CO -0.04 0.23 -1.14 -1.33 -1.07 0.00 0.00 179.97 176.61 1sct n MET 126 N -2.98 0.31 0.00 0.04 2.81 0.10 -4.95 117.12 112.46 1sct n MET 126 Ca -0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1sct n MET 126 Cb 0.68 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1sct n MET 126 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sct n GLY 127 N 1.36 3.33 0.00 3.03 0.00 -0.93 -1.68 105.19 110.30 1sct n GLY 127 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1sct n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sct n ASN 128 N 3.94 0.00 -0.21 1.61 3.02 -1.26 -2.53 115.26 119.83 1sct n ASN 128 Ca 0.00 -0.91 0.14 0.00 -0.03 0.00 0.00 54.58 53.77 1sct n ASN 128 Cb 0.00 0.00 0.52 0.00 -0.61 0.00 0.00 39.78 39.69 1sct n ASN 128 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1sct n TYR 129 N -0.96 0.00 -2.43 3.10 4.01 -0.68 -4.90 117.16 115.31 1sct n TYR 129 Ca 0.18 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.55 1sct n TYR 129 Cb 0.08 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 1sct n TYR 129 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1sct s TYR 130 N -2.42 3.21 0.11 -0.72 5.04 -1.05 -5.03 117.35 116.49 1sct s TYR 130 Ca 0.29 1.61 -0.07 0.00 -2.44 0.00 0.00 57.07 56.46 1sct s TYR 130 Cb 0.20 -3.25 -0.01 0.00 0.35 0.00 0.00 41.96 39.24 1sct s TYR 130 CO 0.47 -0.92 0.19 -1.54 -1.34 0.00 0.00 175.55 172.41 1sct s SER 131 N -1.32 0.15 0.56 4.32 1.04 -1.26 -5.03 113.70 112.16 1sct s SER 131 Ca 0.56 -0.80 0.34 0.00 0.48 0.00 0.00 55.95 56.53 1sct s SER 131 Cb -0.27 0.35 1.65 0.00 0.10 0.00 0.00 66.02 67.85 1sct s SER 131 CO 0.33 -0.77 2.11 0.44 0.98 0.00 0.00 173.24 176.34 1sct h ASP 132 N 2.73 0.00 0.19 7.02 3.32 -2.00 -0.93 116.42 126.76 1sct h ASP 132 Ca -0.33 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1sct h ASP 132 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1sct h ASP 132 CO 0.55 0.06 -0.21 0.44 -1.72 0.00 0.00 179.24 178.36 1sct h ASP 133 N 0.00 0.03 -0.39 6.45 5.19 -1.99 -1.10 116.42 124.61 1sct h ASP 133 Ca -0.00 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 1sct h ASP 133 Cb 0.33 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1sct h ASP 133 CO 0.01 0.24 -0.15 0.58 -3.12 0.00 0.00 179.24 176.80 1sct h VAL 134 N 0.03 1.28 -0.81 -1.35 2.07 -1.53 -2.15 116.25 113.78 1sct h VAL 134 Ca 0.00 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1sct h VAL 134 Cb 0.38 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1sct h VAL 134 CO 0.03 0.42 0.42 0.00 0.02 0.00 0.00 177.57 178.46 1sct h ALA 135 N 0.82 1.05 -0.37 1.67 0.00 -1.36 -2.39 119.26 118.68 1sct h ALA 135 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1sct h ALA 135 Cb 0.69 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1sct h ALA 135 CO 0.05 0.58 -0.13 0.78 0.00 0.00 0.00 179.25 180.54 1sct h GLY 136 N 1.14 0.70 0.98 0.00 0.00 -1.14 -1.52 103.07 103.23 1sct h GLY 136 Ca 0.28 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1sct h GLY 136 CO -0.04 0.47 -0.07 0.00 0.00 0.00 0.00 176.54 176.90 1sct h ALA 137 N 1.27 0.58 -0.28 3.60 0.00 -1.02 0.24 119.26 123.65 1sct h ALA 137 Ca 0.10 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1sct h ALA 137 Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sct h ALA 137 CO 0.04 0.43 -0.44 -1.49 0.00 0.00 0.00 179.25 177.78 1sct h TRP 138 N 0.62 0.87 -0.78 0.00 4.06 -1.34 -1.88 115.95 117.49 1sct h TRP 138 Ca 0.11 -0.27 -0.03 0.00 2.06 0.00 0.00 58.89 60.76 1sct h TRP 138 Cb 0.59 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 28.53 1sct h TRP 138 CO 0.05 1.03 0.37 0.00 -3.56 0.00 0.00 178.44 176.33 1sct h ALA 139 N 0.93 1.01 -0.82 1.49 0.00 -1.12 -0.34 119.26 120.41 1sct h ALA 139 Ca 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1sct h ALA 139 Cb 0.99 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1sct h ALA 139 CO 0.09 0.57 0.35 0.00 0.00 0.00 0.00 179.25 180.27 1sct h ALA 140 N 1.19 1.08 -0.24 0.00 0.00 -0.59 -0.74 119.26 119.96 1sct h ALA 140 Ca 0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1sct h ALA 140 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1sct h ALA 140 CO -0.03 0.67 -0.09 1.25 0.00 0.00 0.00 179.25 181.04 1sct h LEU 141 N 1.18 0.50 -1.56 0.00 5.85 -1.08 -1.96 115.31 118.23 1sct h LEU 141 Ca 0.28 -0.39 0.13 0.00 0.84 0.00 0.00 57.88 58.74 1sct h LEU 141 Cb 0.18 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1sct h LEU 141 CO -0.03 0.78 0.49 0.58 -0.34 0.00 0.00 178.44 179.92 1sct h VAL 142 N 0.22 0.83 0.00 1.05 2.07 -0.92 -1.30 116.25 118.20 1sct h VAL 142 Ca 0.06 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1sct h VAL 142 Cb 0.58 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1sct h VAL 142 CO 0.03 0.08 -0.03 1.23 0.02 0.00 0.00 177.57 178.90 1sct h GLY 143 N 0.45 0.00 0.93 2.17 0.00 -0.34 -1.87 103.07 104.41 1sct h GLY 143 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 1sct h GLY 143 CO -0.11 0.00 -0.16 -2.08 0.00 0.00 0.00 176.54 174.18 1sct h VAL 144 N 0.00 1.29 -0.41 4.60 2.07 -1.05 -1.99 116.25 120.76 1sct h VAL 144 Ca -0.00 -1.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.15 1sct h VAL 144 Cb 0.06 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1sct h VAL 144 CO 0.00 0.41 -0.13 0.58 0.02 0.00 0.00 177.57 178.46 1sct h VAL 145 N 0.40 1.28 -0.08 2.57 2.07 -1.40 -2.60 116.25 118.48 1sct h VAL 145 Ca 0.07 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1sct h VAL 145 Cb 0.69 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1sct h VAL 145 CO 0.05 0.42 -0.07 1.56 0.02 0.00 0.00 177.57 179.54 1sct h GLN 146 N 0.63 0.12 0.00 1.57 4.20 -1.28 0.86 115.11 121.20 1sct h GLN 146 Ca 0.10 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1sct h GLN 146 Cb 0.66 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1sct h GLN 146 CO 0.05 0.20 -0.20 0.00 -0.67 0.00 0.00 178.83 178.21 1sct h ALA 147 N 1.81 1.27 -0.01 3.87 0.00 -0.98 -2.93 119.26 122.29 1sct h ALA 147 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sct h ALA 147 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sct h ALA 147 CO 0.01 0.25 -0.18 0.00 0.00 0.00 0.00 179.25 179.33 1sct n ALA 148 N -2.32 2.93 0.95 0.00 0.00 0.27 -4.43 120.51 117.91 1sct n ALA 148 Ca -0.01 -0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.10 1sct n ALA 148 Cb 0.31 -1.11 0.10 0.00 0.00 0.00 0.00 19.45 18.75 1sct n ALA 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78