#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsh s ARG 2 N 0.00 0.37 0.00 4.33 3.03 -1.26 -5.14 118.95 120.28 1nsh s ARG 2 Ca 0.00 0.69 0.00 0.00 2.03 0.00 0.00 55.73 58.45 1nsh s ARG 2 Cb 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 34.95 34.07 1nsh s ARG 2 CO 0.00 -0.09 0.00 -0.35 -1.13 0.00 0.00 175.30 173.73 1nsh n PRO 3 N 3.95 0.00 -3.62 3.89 -0.04 -1.26 -5.07 135.00 132.85 1nsh n PRO 3 Ca -0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 1nsh n PRO 3 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 1nsh n PRO 3 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nsh s THR 4 N 0.00 0.00 0.24 0.52 -1.32 -1.26 -4.99 115.64 108.84 1nsh s THR 4 Ca 0.00 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 1nsh s THR 4 Cb 0.00 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.30 1nsh s THR 4 CO 0.00 0.00 1.61 -0.08 -2.21 0.00 0.00 174.62 173.94 1nsh h GLU 5 N 3.30 0.03 -0.81 7.08 4.22 -2.00 0.47 114.58 126.86 1nsh h GLU 5 Ca -0.23 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.18 1nsh h GLU 5 Cb 1.18 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1nsh h GLU 5 CO 0.20 0.02 0.38 1.15 -2.18 0.00 0.00 179.01 178.58 1nsh h THR 6 N 0.03 1.26 -0.97 0.32 2.02 -1.99 -2.19 112.91 111.39 1nsh h THR 6 Ca 0.40 -0.74 0.21 0.00 0.77 0.00 0.00 66.41 67.05 1nsh h THR 6 Cb 0.65 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.21 1nsh h THR 6 CO -0.76 0.31 0.62 -0.33 0.37 0.00 0.00 175.52 175.73 1nsh h GLU 7 N 1.16 0.49 0.00 6.66 4.39 -0.47 0.57 114.58 127.38 1nsh h GLU 7 Ca 0.28 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.81 1nsh h GLU 7 Cb 0.14 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1nsh h GLU 7 CO -0.03 0.32 -0.68 0.00 -1.16 0.00 0.00 179.01 177.46 1nsh h ARG 8 N 0.51 0.00 -0.45 2.33 3.08 -0.89 -3.12 114.38 115.84 1nsh h ARG 8 Ca 0.53 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.49 1nsh h ARG 8 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1nsh h ARG 8 CO -0.26 0.68 -0.05 0.00 -1.07 0.00 0.00 179.97 179.26 1nsh h ILE 10 N 0.67 0.77 -0.59 0.00 5.03 -1.36 -3.07 117.51 118.96 1nsh h ILE 10 Ca 0.12 -0.95 0.17 0.00 -0.12 0.00 0.00 64.86 64.08 1nsh h ILE 10 Cb 0.58 1.24 -0.02 0.00 -3.03 0.00 0.00 36.82 35.58 1nsh h ILE 10 CO 0.03 0.18 0.53 -0.08 -0.68 0.00 0.00 178.15 178.13 1nsh h GLU 11 N -0.84 0.00 0.13 2.37 4.81 -1.62 -1.94 114.58 117.49 1nsh h GLU 11 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1nsh h GLU 11 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1nsh h GLU 11 CO 0.05 0.00 -0.06 0.77 -0.73 0.00 0.00 179.01 179.04 1nsh h SER 12 N 0.00 -0.15 -0.08 1.04 0.02 -1.51 -2.87 113.55 110.00 1nsh h SER 12 Ca 0.28 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1nsh h SER 12 Cb 1.34 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 1nsh h SER 12 CO -0.00 0.45 0.08 -0.07 -1.14 0.00 0.00 176.83 176.15 1nsh h LEU 13 N -0.96 0.00 -0.22 5.07 -0.00 -1.32 0.33 115.31 118.22 1nsh h LEU 13 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.65 1nsh h LEU 13 Cb 0.46 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1nsh h LEU 13 CO 0.03 0.00 -0.78 0.40 -0.00 0.00 0.00 178.44 178.09 1nsh h ILE 14 N 0.00 1.30 -0.10 1.22 2.04 -1.46 -3.21 117.51 117.30 1nsh h ILE 14 Ca 0.04 -2.03 -0.20 0.00 1.00 0.00 0.00 64.86 63.67 1nsh h ILE 14 Cb 0.19 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1nsh h ILE 14 CO -0.00 0.63 -0.77 0.00 0.00 0.00 0.00 178.15 178.02 1nsh h ALA 15 N 0.65 0.46 -0.75 1.87 0.00 -0.91 -1.93 119.26 118.64 1nsh h ALA 15 Ca -0.05 -0.61 0.08 0.00 0.00 0.00 0.00 54.91 54.33 1nsh h ALA 15 Cb 1.39 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1nsh h ALA 15 CO 0.15 0.73 0.49 -0.39 0.00 0.00 0.00 179.25 180.24 1nsh h VAL 16 N 0.39 0.98 0.01 0.00 -1.51 -1.05 0.33 116.25 115.40 1nsh h VAL 16 Ca -0.04 -0.25 -0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1nsh h VAL 16 Cb 1.37 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1nsh h VAL 16 CO 0.14 0.13 -0.00 0.15 -1.23 0.00 0.00 177.57 176.76 1nsh h PHE 17 N 0.72 -0.01 -0.69 5.19 3.57 -1.54 -3.35 116.94 120.84 1nsh h PHE 17 Ca 0.34 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 1nsh h PHE 17 Cb 0.37 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1nsh h PHE 17 CO -0.00 0.00 0.17 -0.56 -2.23 0.00 0.00 178.31 175.69 1nsh h GLN 18 N -1.00 1.09 -0.58 1.11 3.07 -1.32 0.22 115.11 117.71 1nsh h GLN 18 Ca -0.00 -0.26 0.12 0.00 0.09 0.00 0.00 58.65 58.60 1nsh h GLN 18 Cb 0.02 -0.15 -0.11 0.00 0.08 0.00 0.00 27.48 27.32 1nsh h GLN 18 CO 0.00 0.96 -0.18 -0.22 0.09 0.00 0.00 178.83 179.49 1nsh h LYS 19 N 1.04 -0.04 0.22 0.06 1.63 -0.52 1.17 116.57 120.13 1nsh h LYS 19 Ca 0.22 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.69 1nsh h LYS 19 Cb 0.36 0.01 0.04 0.00 -0.60 0.00 0.00 32.23 32.03 1nsh h LYS 19 CO 0.00 -0.02 -1.41 1.88 -3.45 0.00 0.00 179.45 176.44 1nsh h TYR 20 N -0.04 0.99 0.00 1.91 0.05 -1.67 0.26 116.97 118.48 1nsh h TYR 20 Ca 0.27 -0.69 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1nsh h TYR 20 Cb 0.46 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1nsh h TYR 20 CO -0.51 1.54 0.03 0.00 -1.05 0.00 0.00 178.16 178.17 1nsh h ALA 21 N 0.20 1.03 0.00 3.88 0.00 0.68 -3.15 119.26 121.91 1nsh h ALA 21 Ca -0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1nsh h ALA 21 Cb 2.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1nsh h ALA 21 CO 0.27 -0.03 -1.02 0.41 0.00 0.00 0.00 179.25 178.87 1nsh n GLY 22 N -1.13 -0.01 5.00 0.00 0.00 0.39 -3.76 105.19 105.68 1nsh n GLY 22 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1nsh n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nsh n LYS 23 N -2.31 0.00 -0.81 1.61 5.02 0.92 -3.33 118.16 119.26 1nsh n LYS 23 Ca -0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1nsh n LYS 23 Cb 0.51 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.73 1nsh n LYS 23 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1nsh n ASP 24 N 1.64 3.02 0.00 4.39 5.75 -1.26 -4.97 116.55 125.11 1nsh n ASP 24 Ca 0.00 -3.59 0.00 0.00 -0.01 0.00 0.00 54.79 51.19 1nsh n ASP 24 Cb 0.00 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 1nsh n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nsh n GLY 25 N -0.97 -0.12 3.64 6.12 0.00 -1.21 -5.10 105.19 107.55 1nsh n GLY 25 Ca 0.35 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 1nsh n GLY 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nsh s HIS 26 N 0.00 -0.36 0.00 1.61 2.46 -1.26 -4.40 115.29 113.34 1nsh s HIS 26 Ca 0.00 0.81 0.15 0.00 0.47 0.00 0.00 55.06 56.49 1nsh s HIS 26 Cb 0.00 0.35 0.25 0.00 -0.13 0.00 0.00 32.58 33.05 1nsh s HIS 26 CO 0.00 -0.18 1.09 0.45 -2.47 0.00 0.00 174.74 173.64 1nsh n SER 27 N 2.57 0.56 -1.41 9.88 2.88 -1.25 -4.94 113.62 121.92 1nsh n SER 27 Ca -0.14 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.41 1nsh n SER 27 Cb 0.57 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1nsh n SER 27 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1nsh n VAL 28 N 0.29 -4.74 -1.41 2.46 0.31 -1.26 -4.99 118.33 108.98 1nsh n VAL 28 Ca 0.03 2.08 0.07 0.00 -0.01 0.00 0.00 64.34 66.51 1nsh n VAL 28 Cb 0.96 -2.88 -0.04 0.00 -0.91 0.00 0.00 33.84 30.97 1nsh n VAL 28 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1nsh n THR 29 N -0.40 -1.69 0.00 2.52 -2.24 -1.26 -4.98 114.28 106.22 1nsh n THR 29 Ca 0.00 1.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.82 1nsh n THR 29 Cb 0.00 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 1nsh n THR 29 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1nsh n LEU 30 N -3.28 0.00 -3.47 3.22 0.00 -1.26 -4.66 117.00 107.55 1nsh n LEU 30 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 56.01 55.98 1nsh n LEU 30 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.86 1nsh n LEU 30 CO 0.02 0.00 0.71 -0.44 0.00 0.00 0.00 177.39 177.67 1nsh s SER 31 N -0.80 -0.44 0.40 1.96 0.01 -1.26 -3.90 113.70 109.66 1nsh s SER 31 Ca 0.00 0.64 0.18 0.00 1.31 0.00 0.00 55.95 58.07 1nsh s SER 31 Cb 0.00 1.39 1.08 0.00 0.21 0.00 0.00 66.02 68.70 1nsh s SER 31 CO 0.00 -0.09 1.79 0.07 0.41 0.00 0.00 173.24 175.41 1nsh h LYS 32 N 6.81 0.41 -0.09 12.44 -0.00 -1.96 0.13 116.57 134.31 1nsh h LYS 32 Ca -0.20 -0.02 -0.19 0.00 -0.00 0.00 0.00 60.65 60.24 1nsh h LYS 32 Cb 1.14 -0.09 0.01 0.00 -0.00 0.00 0.00 32.23 33.29 1nsh h LYS 32 CO 0.13 0.27 -0.69 1.15 -0.00 0.00 0.00 179.45 180.30 1nsh h THR 33 N 0.42 1.33 0.00 0.07 2.02 -2.01 -2.96 112.91 111.79 1nsh h THR 33 Ca 0.57 -1.98 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 1nsh h THR 33 Cb 1.41 2.22 -0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1nsh h THR 33 CO -0.28 0.60 -0.02 -0.33 0.37 0.00 0.00 175.52 175.87 1nsh h GLU 34 N 0.26 0.00 -0.04 6.66 5.08 -1.20 0.34 114.58 125.68 1nsh h GLU 34 Ca -0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1nsh h GLU 34 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1nsh h GLU 34 CO 0.14 0.02 -0.61 0.35 -1.00 0.00 0.00 179.01 177.91 1nsh h PHE 35 N 0.00 0.18 0.05 4.33 3.04 -0.99 -3.04 116.94 120.51 1nsh h PHE 35 Ca -0.00 -0.07 0.02 0.00 3.98 0.00 0.00 57.97 61.90 1nsh h PHE 35 Cb 0.03 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 1nsh h PHE 35 CO 0.00 0.71 -0.50 -0.07 -2.02 0.00 0.00 178.31 176.43 1nsh h LEU 36 N 0.10 -1.52 0.46 0.59 -0.00 -0.76 1.00 115.31 115.18 1nsh h LEU 36 Ca -0.01 0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1nsh h LEU 36 Cb 1.10 0.57 0.00 0.00 -0.00 0.00 0.00 40.66 42.34 1nsh h LEU 36 CO 0.09 -0.52 -0.22 0.28 -0.00 0.00 0.00 178.44 178.07 1nsh h SER 37 N -0.68 -0.52 -0.66 -0.43 0.02 -1.61 -0.40 113.55 109.27 1nsh h SER 37 Ca 0.02 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1nsh h SER 37 Cb 0.72 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 1nsh h SER 37 CO -0.32 -0.27 0.43 -0.26 -1.14 0.00 0.00 176.83 175.28 1nsh h PHE 38 N -0.75 0.69 0.00 3.45 0.04 -1.42 -0.09 116.94 118.85 1nsh h PHE 38 Ca -0.06 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 1nsh h PHE 38 Cb 0.54 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1nsh h PHE 38 CO -0.01 0.37 -0.48 1.98 -0.60 0.00 0.00 178.31 179.57 1nsh h MET 39 N 0.69 0.00 0.00 1.51 4.05 0.12 0.13 114.93 121.43 1nsh h MET 39 Ca 0.28 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1nsh h MET 39 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1nsh h MET 39 CO -0.09 0.48 0.00 -0.91 0.23 0.00 0.00 176.91 176.62 1nsh h ASN 40 N 0.00 0.00 0.00 1.39 2.35 0.74 -2.35 115.58 117.71 1nsh h ASN 40 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1nsh h ASN 40 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1nsh h ASN 40 CO 0.06 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.19 1nsh n THR 41 N -3.03 0.00 -0.36 2.81 -2.24 -0.94 -3.97 114.28 106.56 1nsh n THR 41 Ca 0.02 0.00 0.36 0.00 -2.27 0.00 0.00 64.05 62.16 1nsh n THR 41 Cb 0.38 -0.70 0.74 0.00 -2.10 0.00 0.00 70.33 68.65 1nsh n THR 41 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1nsh h GLU 42 N 0.00 0.03 -1.32 -0.78 4.39 -1.20 -1.58 114.58 114.11 1nsh h GLU 42 Ca 0.00 -0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 1nsh h GLU 42 Cb 0.00 -0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 1nsh h GLU 42 CO 0.00 0.02 -1.05 1.28 -1.16 0.00 0.00 179.01 178.11 1nsh n LEU 43 N -4.21 2.40 0.09 1.33 4.77 -1.17 -4.87 117.00 115.34 1nsh n LEU 43 Ca 0.27 -4.36 -0.22 0.00 -0.03 0.00 0.00 56.01 51.67 1nsh n LEU 43 Cb 1.29 0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 42.41 1nsh n LEU 43 CO 0.39 1.87 -0.06 0.00 -1.33 0.00 0.00 177.39 178.26 1nsh h ALA 44 N 2.89 -0.07 -0.44 -1.18 0.00 -0.72 -3.14 119.26 116.60 1nsh h ALA 44 Ca 0.04 -0.76 0.13 0.00 0.00 0.00 0.00 54.91 54.32 1nsh h ALA 44 Cb 1.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1nsh h ALA 44 CO 0.61 0.58 0.41 0.00 0.00 0.00 0.00 179.25 180.86 1nsh h ALA 45 N 0.20 2.20 0.21 0.00 0.00 -1.87 0.11 119.26 120.11 1nsh h ALA 45 Ca -0.19 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.37 1nsh h ALA 45 Cb 1.87 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.72 1nsh h ALA 45 CO 0.22 -0.64 -1.55 0.74 0.00 0.00 0.00 179.25 178.02 1nsh h PHE 46 N 0.00 0.82 0.00 0.00 -1.00 -1.90 -3.44 116.94 111.42 1nsh h PHE 46 Ca 0.21 -0.60 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1nsh h PHE 46 Cb 1.03 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.56 1nsh h PHE 46 CO 0.00 1.60 0.00 0.25 -1.61 0.00 0.00 178.31 178.55 1nsh n THR 47 N -3.71 0.00 0.00 -1.55 -2.24 -0.14 -4.64 114.28 102.00 1nsh n THR 47 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1nsh n THR 47 Cb 1.06 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1nsh n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1nsh n LYS 48 N -0.48 0.00 -2.69 -0.78 4.76 0.19 -2.13 118.16 117.03 1nsh n LYS 48 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1nsh n LYS 48 Cb 0.00 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.31 1nsh n LYS 48 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nsh n ASN 49 N 1.89 -1.31 -3.36 4.39 3.02 -1.26 -5.14 115.26 113.49 1nsh n ASN 49 Ca 0.00 -2.31 -0.17 0.00 -0.03 0.00 0.00 54.58 52.07 1nsh n ASN 49 Cb 0.00 0.68 0.16 0.00 -0.61 0.00 0.00 39.78 40.01 1nsh n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nsh n GLN 50 N -1.11 -2.15 -0.94 3.52 1.13 -0.91 -4.86 117.38 112.07 1nsh n GLN 50 Ca -0.10 -0.80 -0.13 0.00 -1.94 0.00 0.00 57.00 54.03 1nsh n GLN 50 Cb 0.86 -1.36 0.20 0.00 0.11 0.00 0.00 30.24 30.05 1nsh n GLN 50 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nsh n LYS 51 N -2.43 2.67 -3.45 -1.09 4.01 -1.26 -4.74 118.16 111.87 1nsh n LYS 51 Ca 0.08 -2.53 -0.20 0.00 -0.51 0.00 0.00 58.31 55.14 1nsh n LYS 51 Cb 0.33 -2.02 -0.11 0.00 -0.51 0.00 0.00 35.03 32.71 1nsh n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1nsh s ASP 52 N -0.83 2.12 0.00 4.39 1.01 -1.26 -5.00 116.67 117.10 1nsh s ASP 52 Ca 0.47 -0.83 0.20 0.00 0.71 0.00 0.00 52.55 53.10 1nsh s ASP 52 Cb 0.38 0.27 1.21 0.00 1.01 0.00 0.00 42.92 45.79 1nsh s ASP 52 CO 0.10 -0.39 1.66 -0.81 0.21 0.00 0.00 175.17 175.94 1nsh n PRO 53 N 5.30 0.81 0.03 8.23 -0.04 -1.26 -3.12 135.00 144.94 1nsh n PRO 53 Ca -0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.47 1nsh n PRO 53 Cb 0.46 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 1nsh n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nsh n GLY 54 N 0.55 -1.21 0.40 0.55 0.00 -1.26 -3.84 105.19 100.38 1nsh n GLY 54 Ca 0.15 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1nsh n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nsh h VAL 55 N 0.00 0.00 -0.22 1.61 2.07 -1.81 0.79 116.25 118.68 1nsh h VAL 55 Ca -0.12 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1nsh h VAL 55 Cb 1.34 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1nsh h VAL 55 CO 0.02 0.00 -0.13 0.25 0.02 0.00 0.00 177.57 177.73 1nsh h LEU 56 N -0.47 0.50 -2.12 2.57 5.85 -1.82 -2.83 115.31 117.00 1nsh h LEU 56 Ca 0.03 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1nsh h LEU 56 Cb 0.57 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1nsh h LEU 56 CO -0.40 0.82 0.28 -0.78 -0.34 0.00 0.00 178.44 178.02 1nsh h ASP 57 N 0.19 0.00 0.13 1.25 3.58 -1.57 -2.24 116.42 117.76 1nsh h ASP 57 Ca 0.05 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1nsh h ASP 57 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1nsh h ASP 57 CO 0.04 0.00 -0.06 0.03 -2.88 0.00 0.00 179.24 176.37 1nsh h ARG 58 N 0.00 -0.17 0.10 0.28 -0.00 0.85 -2.19 114.38 113.25 1nsh h ARG 58 Ca 0.14 0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.64 1nsh h ARG 58 Cb 0.70 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.68 1nsh h ARG 58 CO -0.00 0.31 -0.23 0.00 0.00 0.00 0.00 179.97 180.05 1nsh h MET 59 N -0.83 -0.40 0.00 0.04 -0.00 -1.36 -1.91 114.93 110.47 1nsh h MET 59 Ca -0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.69 1nsh h MET 59 Cb 0.55 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1nsh h MET 59 CO 0.03 -0.27 -0.07 0.52 -0.00 0.00 0.00 176.91 177.12 1nsh h MET 60 N -0.41 0.00 0.55 -0.10 2.86 -1.55 -2.77 114.93 113.51 1nsh h MET 60 Ca 0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1nsh h MET 60 Cb 0.44 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.11 1nsh h MET 60 CO -0.13 0.07 -0.27 0.87 1.06 0.00 0.00 176.91 178.51 1nsh h LYS 61 N 0.00 -0.71 0.00 1.72 6.56 -0.68 -3.23 116.57 120.23 1nsh h LYS 61 Ca -0.00 0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1nsh h LYS 61 Cb 0.31 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1nsh h LYS 61 CO 0.01 -0.48 -0.06 -0.22 -2.06 0.00 0.00 179.45 176.64 1nsh h LYS 62 N -1.09 0.00 0.00 3.15 3.11 -1.48 -1.96 116.57 118.30 1nsh h LYS 62 Ca -0.08 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1nsh h LYS 62 Cb 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.80 1nsh h LYS 62 CO 0.12 0.06 0.00 1.25 -2.81 0.00 0.00 179.45 178.07 1nsh h LEU 63 N 0.00 0.00 -2.13 5.20 6.46 -1.50 -3.46 115.31 119.88 1nsh h LEU 63 Ca -0.00 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.53 1nsh h LEU 63 Cb 0.14 0.00 0.15 0.00 -0.73 0.00 0.00 40.66 40.22 1nsh h LEU 63 CO 0.01 0.00 -0.65 -0.67 -0.62 0.00 0.00 178.44 176.50 1nsh n ASP 64 N -2.96 -3.85 -4.23 1.25 -0.08 -0.74 -4.78 116.55 101.17 1nsh n ASP 64 Ca -0.03 -0.53 -0.60 0.00 -1.51 0.00 0.00 54.79 52.12 1nsh n ASP 64 Cb 0.07 -4.26 -0.11 0.00 2.34 0.00 0.00 41.12 39.16 1nsh n ASP 64 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1nsh n LEU 65 N -3.21 0.87 -3.69 -2.67 4.77 -1.25 -4.92 117.00 106.90 1nsh n LEU 65 Ca -0.15 0.82 -0.11 0.00 -0.03 0.00 0.00 56.01 56.54 1nsh n LEU 65 Cb 0.62 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1nsh n LEU 65 CO 0.48 -0.76 0.12 0.54 -1.33 0.00 0.00 177.39 176.44 1nsh s ASN 66 N 4.77 -0.56 0.40 -1.43 2.20 -1.26 -5.03 114.94 114.02 1nsh s ASN 66 Ca 1.10 0.98 0.21 0.00 -0.94 0.00 0.00 52.86 54.22 1nsh s ASN 66 Cb -1.43 0.91 0.47 0.00 -2.00 0.00 0.00 41.25 39.19 1nsh s ASN 66 CO 0.68 -0.19 1.64 0.28 -2.94 0.00 0.00 177.10 176.57 1nsh h SER 67 N 6.54 0.00 -0.90 3.54 0.02 -2.01 -3.26 113.55 117.48 1nsh h SER 67 Ca -0.33 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.11 1nsh h SER 67 Cb 1.19 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.52 1nsh h SER 67 CO 0.25 0.22 0.63 -0.90 -1.14 0.00 0.00 176.83 175.89 1nsh n ASP 68 N -3.21 6.98 0.00 3.07 5.68 -1.26 -4.81 116.55 123.00 1nsh n ASP 68 Ca 0.02 -3.40 0.00 0.00 -0.50 0.00 0.00 54.79 50.91 1nsh n ASP 68 Cb 0.56 -1.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nsh n GLY 69 N -0.06 2.73 0.00 6.12 0.00 -1.23 -5.20 105.19 107.56 1nsh n GLY 69 Ca 0.46 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1nsh n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nsh n GLN 70 N 0.00 0.00 0.00 1.61 1.13 -1.26 -5.11 117.38 113.75 1nsh n GLN 70 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nsh n GLN 70 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1nsh n GLN 70 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1nsh n LEU 71 N 0.00 0.00 0.00 1.08 7.99 -1.25 -4.92 117.00 119.90 1nsh n LEU 71 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1nsh n LEU 71 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1nsh n LEU 71 CO 0.00 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.21 1nsh n ASP 72 N 0.00 0.00 0.31 -1.43 -0.08 -1.26 -4.60 116.55 109.49 1nsh n ASP 72 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 1nsh n ASP 72 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 1nsh n ASP 72 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1nsh h PHE 73 N 0.00 -0.74 0.00 -0.67 -0.00 -1.99 -3.14 116.94 110.40 1nsh h PHE 73 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.93 1nsh h PHE 73 Cb 0.00 0.24 -0.00 0.00 -0.00 0.00 0.00 35.95 36.19 1nsh h PHE 73 CO 0.00 -0.40 -0.09 0.37 -0.00 0.00 0.00 178.31 178.18 1nsh h GLN 74 N -1.04 0.00 -1.16 6.09 -0.00 -1.98 -3.18 115.11 113.85 1nsh h GLN 74 Ca -0.08 0.00 0.35 0.00 -0.00 0.00 0.00 58.65 58.92 1nsh h GLN 74 Cb 0.67 0.00 -0.12 0.00 0.00 0.00 0.00 27.48 28.03 1nsh h GLN 74 CO 0.13 0.09 0.73 0.93 0.00 0.00 0.00 178.83 180.72 1nsh h GLU 75 N 0.00 0.23 0.00 1.69 4.39 -1.89 2.47 114.58 121.47 1nsh h GLU 75 Ca -0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1nsh h GLU 75 Cb 1.01 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1nsh h GLU 75 CO 0.01 0.15 -0.02 0.35 -1.16 0.00 0.00 179.01 178.35 1nsh h PHE 76 N 0.24 0.00 -0.89 4.33 3.04 -1.59 0.12 116.94 122.18 1nsh h PHE 76 Ca 0.72 0.00 0.21 0.00 3.98 0.00 0.00 57.97 62.88 1nsh h PHE 76 Cb 2.02 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.46 1nsh h PHE 76 CO -0.01 0.58 0.60 -0.07 -2.02 0.00 0.00 178.31 177.40 1nsh h LEU 77 N -1.00 0.33 0.00 0.59 3.38 -0.84 1.77 115.31 119.55 1nsh h LEU 77 Ca -0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1nsh h LEU 77 Cb 0.58 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1nsh h LEU 77 CO -0.00 0.13 -0.11 -1.13 0.09 0.00 0.00 178.44 177.42 1nsh h ASN 78 N 0.33 0.09 0.82 -0.43 -1.24 0.40 0.80 115.58 116.35 1nsh h ASN 78 Ca 0.46 -0.81 -0.04 0.00 0.71 0.00 0.00 56.30 56.62 1nsh h ASN 78 Cb 1.26 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 40.29 1nsh h ASN 78 CO -0.15 0.90 -0.40 -0.07 -1.29 0.00 0.00 177.43 176.41 1nsh h LEU 79 N -0.70 -0.96 -0.10 0.34 4.07 0.16 0.10 115.31 118.22 1nsh h LEU 79 Ca -0.01 0.04 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 1nsh h LEU 79 Cb 0.92 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1nsh h LEU 79 CO 0.02 -0.67 -0.19 -0.29 -1.08 0.00 0.00 178.44 176.22 1nsh h ILE 80 N -1.11 1.39 -0.33 1.22 -0.00 0.24 -3.05 117.51 115.86 1nsh h ILE 80 Ca -0.11 -1.46 0.07 0.00 -0.00 0.00 0.00 64.86 63.36 1nsh h ILE 80 Cb 0.86 2.09 -0.07 0.00 -0.00 0.00 0.00 36.82 39.70 1nsh h ILE 80 CO 0.18 0.42 -0.11 1.23 -0.00 0.00 0.00 178.15 179.87 1nsh h GLY 81 N -0.12 0.21 0.36 8.18 0.00 0.59 0.27 103.07 112.56 1nsh h GLY 81 Ca 0.01 0.14 0.21 0.00 0.00 0.00 0.00 47.33 47.68 1nsh h GLY 81 CO 0.04 -0.14 0.58 -1.33 0.00 0.00 0.00 176.54 175.69 1nsh h GLY 82 N -0.03 0.49 0.87 4.60 0.00 -0.82 0.63 103.07 108.81 1nsh h GLY 82 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1nsh h GLY 82 CO -0.36 -0.00 0.06 1.41 0.00 0.00 0.00 176.54 177.65 1nsh h LEU 83 N 0.23 0.37 -1.72 3.11 3.38 -0.38 0.32 115.31 120.63 1nsh h LEU 83 Ca 0.43 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 58.30 1nsh h LEU 83 Cb 1.31 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1nsh h LEU 83 CO -0.10 0.50 0.43 0.00 0.09 0.00 0.00 178.44 179.36 1nsh h ALA 84 N 0.88 2.19 0.00 1.53 0.00 -0.23 1.95 119.26 125.58 1nsh h ALA 84 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nsh h ALA 84 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1nsh h ALA 84 CO 0.00 -0.35 -0.49 -0.39 0.00 0.00 0.00 179.25 178.01 1nsh h VAL 85 N 0.30 0.00 -0.11 0.00 -1.51 -1.03 -0.04 116.25 113.87 1nsh h VAL 85 Ca 0.31 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1nsh h VAL 85 Cb 0.79 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1nsh h VAL 85 CO -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.27 1nsh n ALA 86 N -1.99 2.18 0.00 5.19 0.00 0.94 -2.84 120.51 123.99 1nsh n ALA 86 Ca 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1nsh n ALA 86 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1nsh n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh s HIS 88 N -1.35 3.42 -0.87 0.00 2.46 -0.03 -4.92 115.29 114.00 1nsh s HIS 88 Ca 0.00 1.37 -0.24 0.00 0.47 0.00 0.00 55.06 56.66 1nsh s HIS 88 Cb 0.00 -2.64 -0.18 0.00 -0.13 0.00 0.00 32.58 29.62 1nsh s HIS 88 CO 0.00 0.09 2.21 0.39 -2.47 0.00 0.00 174.74 174.96 1nsh n GLU 89 N -0.21 0.32 -3.15 2.88 4.71 -1.26 -4.47 120.64 119.45 1nsh n GLU 89 Ca 0.03 -1.05 0.06 0.00 -0.01 0.00 0.00 57.16 56.19 1nsh n GLU 89 Cb 0.53 -3.44 -0.00 0.00 -1.01 0.00 0.00 31.44 27.51 1nsh n GLU 89 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1nsh s SER 90 N 8.65 -0.03 0.00 1.62 1.04 -1.26 -4.86 113.70 118.85 1nsh s SER 90 Ca 0.87 0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1nsh s SER 90 Cb -0.15 1.02 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1nsh s SER 90 CO 0.15 -0.01 0.00 0.33 0.98 0.00 0.00 173.24 174.70 1nsh n PHE 91 N 5.11 0.00 -1.53 5.02 7.35 -1.26 -4.24 117.46 127.91 1nsh n PHE 91 Ca 0.06 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.37 1nsh n PHE 91 Cb 0.58 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.34 1nsh n PHE 91 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1nsh n VAL 92 N 0.00 -0.03 -2.29 -2.13 0.31 -1.13 -1.07 118.33 111.99 1nsh n VAL 92 Ca 0.00 -0.48 -0.15 0.00 -0.01 0.00 0.00 64.34 63.70 1nsh n VAL 92 Cb 0.00 -1.92 -0.02 0.00 -0.91 0.00 0.00 33.84 31.00 1nsh n VAL 92 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1nsh n LYS 93 N 8.77 -1.95 -3.46 5.55 4.81 -1.26 -1.85 118.16 128.78 1nsh n LYS 93 Ca 0.47 0.76 -0.19 0.00 -0.87 0.00 0.00 58.31 58.49 1nsh n LYS 93 Cb 0.34 -5.34 0.07 0.00 0.02 0.00 0.00 35.03 30.12 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nsh n ALA 94 N -1.76 -2.22 0.24 3.14 0.00 -0.23 -4.96 120.51 114.73 1nsh n ALA 94 Ca -0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1nsh n ALA 94 Cb 0.62 -3.54 -0.05 0.00 0.00 0.00 0.00 19.45 16.48 1nsh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh h ALA 95 N 0.58 -0.97 -0.94 0.00 0.00 -1.59 -2.92 119.26 113.41 1nsh h ALA 95 Ca -0.61 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.31 1nsh h ALA 95 Cb 1.34 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 19.22 1nsh h ALA 95 CO 0.49 -0.92 -0.38 -1.00 0.00 0.00 0.00 179.25 177.44 1nsh h PRO 96 N -0.74 -0.02 0.00 0.00 0.13 -1.88 0.82 132.00 130.31 1nsh h PRO 96 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1nsh h PRO 96 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1nsh h PRO 96 CO 0.11 -0.01 0.00 -0.35 -0.23 0.00 0.00 178.00 177.51 1nsh n PRO 97 N -5.47 0.01 -0.87 1.56 -0.04 -1.24 -2.63 135.00 126.32 1nsh n PRO 97 Ca 0.09 0.31 -0.17 0.00 -0.04 0.00 0.00 63.50 63.69 1nsh n PRO 97 Cb 0.39 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.49 1nsh n PRO 97 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1nsh n GLN 98 N -1.49 1.93 0.00 0.54 7.27 0.29 -5.03 117.38 120.88 1nsh n GLN 98 Ca 0.03 -2.15 0.00 0.00 0.07 0.00 0.00 57.00 54.95 1nsh n GLN 98 Cb 0.12 -1.84 0.00 0.00 2.41 0.00 0.00 30.24 30.93 1nsh n GLN 98 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1nsh n LYS 99 N -0.65 0.00 -0.02 3.69 5.02 -1.08 -4.63 118.16 120.49 1nsh n LYS 99 Ca 0.42 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 1nsh n LYS 99 Cb 1.33 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 36.34 1nsh n LYS 99 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1nsh h ARG 100 N 0.00 0.00 0.00 1.97 2.43 -1.89 -3.43 114.38 113.45 1nsh h ARG 100 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nsh h ARG 100 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1nsh h ARG 100 CO 0.00 0.00 0.00 1.97 -1.51 0.00 0.00 179.97 180.43