#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsh n ARG 2 N 0.00 0.00 0.00 4.33 1.74 -1.26 -5.09 116.66 116.38 1nsh n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1nsh n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1nsh n ARG 2 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nsh n PRO 3 N -2.75 0.00 -3.57 5.56 -0.04 -1.26 -5.05 135.00 127.89 1nsh n PRO 3 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1nsh n PRO 3 Cb 0.00 -0.03 -0.06 0.00 -0.04 0.00 0.00 33.50 33.36 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 0.26 0.52 -1.32 -1.26 -5.00 115.64 108.84 1nsh s THR 4 Ca 0.00 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.42 1nsh s THR 4 Cb 0.00 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 1nsh s THR 4 CO 0.00 0.00 1.62 -0.08 -2.21 0.00 0.00 174.62 173.95 1nsh h GLU 5 N 3.65 0.07 -0.73 7.08 4.81 -2.01 0.57 114.58 128.03 1nsh h GLU 5 Ca -0.26 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1nsh h GLU 5 Cb 1.15 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1nsh h GLU 5 CO 0.25 0.05 0.26 1.15 -0.73 0.00 0.00 179.01 179.99 1nsh h THR 6 N 0.07 1.25 -0.87 0.32 2.02 -1.99 -2.20 112.91 111.51 1nsh h THR 6 Ca 0.45 -0.83 0.20 0.00 0.77 0.00 0.00 66.41 67.00 1nsh h THR 6 Cb 0.80 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1nsh h THR 6 CO -0.74 0.33 0.58 -0.33 0.37 0.00 0.00 175.52 175.73 1nsh h GLU 7 N 1.07 0.35 0.21 6.66 4.39 -0.26 -0.00 114.58 127.00 1nsh h GLU 7 Ca 0.24 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.59 1nsh h GLU 7 Cb 0.25 -0.08 0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1nsh h GLU 7 CO -0.02 0.23 -1.41 0.00 -1.16 0.00 0.00 179.01 176.66 1nsh h ARG 8 N 0.36 0.56 -0.78 2.33 2.47 -0.93 -3.09 114.38 115.29 1nsh h ARG 8 Ca 0.45 -0.88 0.03 0.00 -1.26 0.00 0.00 59.98 58.32 1nsh h ARG 8 Cb 1.17 0.32 -0.05 0.00 -1.65 0.00 0.00 29.97 29.76 1nsh h ARG 8 CO -0.15 1.42 0.49 0.00 0.56 0.00 0.00 179.97 182.29 1nsh h ILE 10 N 0.96 0.51 -0.60 0.00 5.03 -1.35 -3.13 117.51 118.93 1nsh h ILE 10 Ca 0.31 -0.57 0.17 0.00 -0.12 0.00 0.00 64.86 64.65 1nsh h ILE 10 Cb 0.02 0.75 -0.02 0.00 -3.03 0.00 0.00 36.82 34.54 1nsh h ILE 10 CO -0.11 0.09 0.54 -0.08 -0.68 0.00 0.00 178.15 177.90 1nsh h GLU 11 N -0.89 0.00 0.25 2.37 4.81 -1.48 -2.18 114.58 117.46 1nsh h GLU 11 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1nsh h GLU 11 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1nsh h GLU 11 CO 0.09 0.00 -0.12 0.77 -0.73 0.00 0.00 179.01 179.02 1nsh h SER 12 N 0.00 -0.29 0.21 1.04 0.02 -1.40 -2.91 113.55 110.22 1nsh h SER 12 Ca 0.28 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1nsh h SER 12 Cb 1.35 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 1nsh h SER 12 CO -0.00 0.21 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.67 1nsh h LEU 13 N -0.92 0.00 -0.51 5.07 -0.00 -1.38 -1.73 115.31 115.84 1nsh h LEU 13 Ca -0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.69 1nsh h LEU 13 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1nsh h LEU 13 CO 0.06 0.15 -0.50 0.40 -0.00 0.00 0.00 178.44 178.55 1nsh h ILE 14 N 0.00 1.30 0.01 1.22 2.04 -1.49 -3.20 117.51 117.39 1nsh h ILE 14 Ca -0.00 -1.71 -0.21 0.00 1.00 0.00 0.00 64.86 63.95 1nsh h ILE 14 Cb 0.29 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1nsh h ILE 14 CO 0.02 0.54 -0.91 0.00 0.00 0.00 0.00 178.15 177.80 1nsh h ALA 15 N 0.94 0.47 -0.97 1.87 0.00 -1.21 -1.51 119.26 118.86 1nsh h ALA 15 Ca 0.02 -0.74 0.15 0.00 0.00 0.00 0.00 54.91 54.35 1nsh h ALA 15 Cb 1.04 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1nsh h ALA 15 CO 0.10 0.92 0.61 -0.39 0.00 0.00 0.00 179.25 180.49 1nsh h VAL 16 N 0.11 0.81 0.19 0.00 -1.51 -1.33 0.16 116.25 114.68 1nsh h VAL 16 Ca -0.05 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.13 1nsh h VAL 16 Cb 1.55 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1nsh h VAL 16 CO 0.14 0.15 -0.09 0.15 -1.23 0.00 0.00 177.57 176.69 1nsh h PHE 17 N 0.81 -0.23 -1.11 5.19 3.04 -1.57 -3.30 116.94 119.76 1nsh h PHE 17 Ca 0.51 -0.01 0.32 0.00 3.98 0.00 0.00 57.97 62.78 1nsh h PHE 17 Cb 0.73 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 39.27 1nsh h PHE 17 CO -0.00 0.03 0.79 1.96 -2.02 0.00 0.00 178.31 179.07 1nsh h GLN 18 N -1.01 0.02 0.06 1.11 1.08 -0.74 0.30 115.11 115.93 1nsh h GLN 18 Ca -0.03 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1nsh h GLN 18 Cb 0.37 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1nsh h GLN 18 CO 0.04 0.02 -0.13 -0.22 -0.95 0.00 0.00 178.83 177.59 1nsh h LYS 19 N 0.02 -0.24 0.05 1.46 1.63 -0.78 1.03 116.57 119.75 1nsh h LYS 19 Ca 0.53 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.25 1nsh h LYS 19 Cb 2.09 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.78 1nsh h LYS 19 CO -0.02 -0.16 -0.46 1.88 -3.45 0.00 0.00 179.45 177.24 1nsh h TYR 20 N -0.25 0.21 -0.15 1.91 -1.99 -1.40 -3.30 116.97 111.99 1nsh h TYR 20 Ca 0.03 -0.15 0.04 0.00 2.00 0.00 0.00 58.73 60.65 1nsh h TYR 20 Cb 0.28 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 1nsh h TYR 20 CO -0.16 1.18 0.18 0.00 -0.00 0.00 0.00 178.16 179.36 1nsh h ALA 21 N -0.02 1.73 0.00 3.88 0.00 -0.46 -3.48 119.26 120.91 1nsh h ALA 21 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nsh h ALA 21 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1nsh h ALA 21 CO 0.04 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.43 1nsh n GLY 22 N -1.37 1.46 3.14 0.00 0.00 0.36 -4.71 105.19 104.06 1nsh n GLY 22 Ca 0.01 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 1nsh n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nsh s LYS 23 N -3.14 0.72 0.00 1.61 2.20 -1.25 -4.64 119.74 115.24 1nsh s LYS 23 Ca 0.00 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1nsh s LYS 23 Cb 0.00 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1nsh s LYS 23 CO 0.00 -1.15 0.00 -0.25 -0.36 0.00 0.00 175.35 173.59 1nsh n ASP 24 N 4.69 0.00 -0.10 1.43 9.92 -1.26 -5.01 116.55 126.21 1nsh n ASP 24 Ca 0.09 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.13 1nsh n ASP 24 Cb 0.55 0.39 -0.07 0.00 -0.64 0.00 0.00 41.12 41.35 1nsh n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nsh n GLY 25 N -1.43 -0.35 2.06 0.44 0.00 -1.26 -5.05 105.19 99.61 1nsh n GLY 25 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1nsh n GLY 25 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1nsh n HIS 26 N -3.97 -2.79 -2.90 1.61 -0.00 -1.26 -5.11 115.22 100.81 1nsh n HIS 26 Ca -0.40 0.45 -0.09 0.00 0.46 0.00 0.00 57.72 58.14 1nsh n HIS 26 Cb 0.78 1.43 0.01 0.00 -0.12 0.00 0.00 29.99 32.08 1nsh n HIS 26 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1nsh n SER 27 N -2.80 -7.84 0.04 0.26 2.88 -1.26 -4.89 113.62 100.02 1nsh n SER 27 Ca 0.00 0.45 0.11 0.00 -1.33 0.00 0.00 58.87 58.10 1nsh n SER 27 Cb 0.00 -5.23 -0.03 0.00 -0.75 0.00 0.00 64.21 58.20 1nsh n SER 27 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1nsh n VAL 28 N -0.43 0.27 -4.30 2.46 0.24 -1.26 -4.95 118.33 110.36 1nsh n VAL 28 Ca 0.10 -0.40 -0.19 0.00 -2.04 0.00 0.00 64.34 61.80 1nsh n VAL 28 Cb 0.47 -0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.75 1nsh n VAL 28 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1nsh s THR 29 N -3.33 0.04 0.00 3.34 -4.23 -1.26 -3.90 115.64 106.30 1nsh s THR 29 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1nsh s THR 29 Cb 0.13 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1nsh s THR 29 CO 0.82 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.79 1nsh n LEU 30 N -0.62 0.00 0.00 4.79 0.00 -1.26 -4.55 117.00 115.36 1nsh n LEU 30 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 1nsh n LEU 30 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.05 1nsh n LEU 30 CO 0.32 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.47 1nsh n SER 31 N 0.00 0.00 -0.30 1.96 2.88 -1.26 -4.17 113.62 112.72 1nsh n SER 31 Ca 0.00 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.77 1nsh n SER 31 Cb 0.00 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 63.98 1nsh n SER 31 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1nsh h LYS 32 N 0.00 0.37 -0.06 -1.46 -0.00 -1.95 0.52 116.57 113.99 1nsh h LYS 32 Ca 0.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 60.65 60.49 1nsh h LYS 32 Cb 0.00 -0.08 0.01 0.00 -0.00 0.00 0.00 32.23 32.16 1nsh h LYS 32 CO 0.00 0.24 -0.50 1.15 -0.00 0.00 0.00 179.45 180.34 1nsh h THR 33 N 0.38 1.40 -0.13 0.07 2.02 -2.01 -3.07 112.91 111.56 1nsh h THR 33 Ca 0.56 -1.89 0.04 0.00 0.77 0.00 0.00 66.41 65.89 1nsh h THR 33 Cb 1.47 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 70.22 1nsh h THR 33 CO -0.25 0.56 0.11 -0.33 0.37 0.00 0.00 175.52 175.97 1nsh h GLU 34 N -0.00 0.00 0.00 6.66 5.08 -1.33 0.28 114.58 125.28 1nsh h GLU 34 Ca -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1nsh h GLU 34 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1nsh h GLU 34 CO 0.10 0.00 -0.42 0.35 -1.00 0.00 0.00 179.01 178.05 1nsh h PHE 35 N 0.00 0.00 0.58 4.33 3.57 -1.12 -3.12 116.94 121.17 1nsh h PHE 35 Ca 0.06 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1nsh h PHE 35 Cb 0.27 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1nsh h PHE 35 CO 0.00 0.42 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.97 1nsh h LEU 36 N 0.00 -1.22 -0.67 0.59 -0.00 -0.34 -2.14 115.31 111.52 1nsh h LEU 36 Ca -0.00 0.09 0.07 0.00 -0.00 0.00 0.00 57.88 58.03 1nsh h LEU 36 Cb 0.85 0.39 -0.06 0.00 -0.00 0.00 0.00 40.66 41.83 1nsh h LEU 36 CO 0.05 -0.66 0.36 0.28 -0.00 0.00 0.00 178.44 178.48 1nsh h SER 37 N -1.01 0.52 -0.22 -0.43 0.02 -1.56 -0.37 113.55 110.49 1nsh h SER 37 Ca -0.07 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1nsh h SER 37 Cb 0.85 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1nsh h SER 37 CO 0.00 0.33 0.17 0.15 -1.14 0.00 0.00 176.83 176.34 1nsh h PHE 38 N 0.65 0.00 0.03 3.45 3.04 -1.45 0.02 116.94 122.69 1nsh h PHE 38 Ca 0.31 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 62.02 1nsh h PHE 38 Cb 0.24 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.77 1nsh h PHE 38 CO -0.09 0.00 -0.97 1.98 -2.02 0.00 0.00 178.31 177.21 1nsh h MET 39 N 0.00 0.60 0.00 1.11 4.05 -0.42 -2.14 114.93 118.13 1nsh h MET 39 Ca 0.10 -0.69 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1nsh h MET 39 Cb 0.44 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1nsh h MET 39 CO -0.00 1.28 0.00 -0.91 0.23 0.00 0.00 176.91 177.51 1nsh h ASN 40 N 0.21 0.00 0.00 1.39 2.35 -0.56 0.32 115.58 119.29 1nsh h ASN 40 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1nsh h ASN 40 Cb 1.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.02 1nsh h ASN 40 CO 0.19 0.00 -0.28 1.07 -1.65 0.00 0.00 177.43 176.76 1nsh n THR 41 N -3.01 0.46 0.02 2.81 5.66 -0.12 -4.56 114.28 115.54 1nsh n THR 41 Ca 0.02 0.39 0.09 0.00 -3.05 0.00 0.00 64.05 61.51 1nsh n THR 41 Cb 0.38 -1.76 -0.11 0.00 -1.55 0.00 0.00 70.33 67.28 1nsh n THR 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1nsh n GLU 42 N -3.08 0.64 -2.30 1.09 1.02 -0.90 -4.41 120.64 112.71 1nsh n GLU 42 Ca -0.04 -0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.79 1nsh n GLU 42 Cb 0.15 -1.63 0.01 0.00 -0.02 0.00 0.00 31.44 29.94 1nsh n GLU 42 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nsh n LEU 43 N -2.46 4.70 0.07 -4.62 4.77 -0.86 -4.74 117.00 113.87 1nsh n LEU 43 Ca -0.05 -4.98 -0.11 0.00 -0.03 0.00 0.00 56.01 50.84 1nsh n LEU 43 Cb 0.62 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 1nsh n LEU 43 CO 0.44 2.16 0.01 0.00 -1.33 0.00 0.00 177.39 178.67 1nsh h ALA 44 N 2.43 0.28 -0.09 -1.18 0.00 -0.57 -3.23 119.26 116.89 1nsh h ALA 44 Ca 0.32 -0.94 0.03 0.00 0.00 0.00 0.00 54.91 54.31 1nsh h ALA 44 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1nsh h ALA 44 CO 0.80 1.17 0.15 0.00 0.00 0.00 0.00 179.25 181.36 1nsh h ALA 45 N 0.82 1.53 -0.00 0.00 0.00 -1.85 1.02 119.26 120.79 1nsh h ALA 45 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nsh h ALA 45 Cb 1.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1nsh h ALA 45 CO 0.15 -0.19 -0.44 1.19 0.00 0.00 0.00 179.25 179.96 1nsh n PHE 46 N -3.54 0.00 -0.03 0.00 3.01 -1.22 -4.12 117.46 111.56 1nsh n PHE 46 Ca -0.01 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.43 1nsh n PHE 46 Cb 0.24 -0.20 -0.06 0.00 -0.01 0.00 0.00 39.48 39.45 1nsh n PHE 46 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nsh n THR 47 N -1.24 0.42 0.00 4.37 -2.24 0.14 -4.34 114.28 111.39 1nsh n THR 47 Ca 0.07 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1nsh n THR 47 Cb 0.34 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.19 0.00 0.29 -0.78 5.02 0.31 -3.80 118.16 117.01 1nsh n LYS 48 Ca -0.10 0.20 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 1nsh n LYS 48 Cb 0.65 -1.04 -0.08 0.00 -0.02 0.00 0.00 35.03 34.53 1nsh n LYS 48 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1nsh h ASN 49 N 0.00 -0.68 0.00 4.39 2.35 -1.83 -3.44 115.58 116.37 1nsh h ASN 49 Ca 0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1nsh h ASN 49 Cb 0.00 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1nsh h ASN 49 CO 0.00 -0.45 0.00 0.00 -1.65 0.00 0.00 177.43 175.33 1nsh n GLN 50 N -5.42 0.00 -2.05 0.81 1.13 -1.25 -4.68 117.38 105.93 1nsh n GLN 50 Ca -0.12 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.74 1nsh n GLN 50 Cb 0.31 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.62 1nsh n GLN 50 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1nsh n LYS 51 N 0.00 -1.59 -3.15 -1.09 4.81 -1.26 -4.91 118.16 110.97 1nsh n LYS 51 Ca 0.00 1.10 0.05 0.00 -0.87 0.00 0.00 58.31 58.59 1nsh n LYS 51 Cb 0.00 -5.64 -0.01 0.00 0.02 0.00 0.00 35.03 29.40 1nsh n LYS 51 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nsh s ASP 52 N -2.36 -0.69 -0.10 3.14 1.01 -1.26 -4.67 116.67 111.75 1nsh s ASP 52 Ca 0.00 0.29 -0.00 0.00 0.71 0.00 0.00 52.55 53.55 1nsh s ASP 52 Cb 0.00 1.52 0.08 0.00 1.01 0.00 0.00 42.92 45.53 1nsh s ASP 52 CO 0.00 -0.13 1.73 -0.81 0.21 0.00 0.00 175.17 176.17 1nsh n PRO 53 N 5.37 1.25 0.00 8.23 -0.04 -1.26 -3.51 135.00 145.04 1nsh n PRO 53 Ca -0.01 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1nsh n PRO 53 Cb 0.54 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.82 -0.77 0.04 0.55 0.00 -1.26 -4.78 105.19 99.79 1nsh n GLY 54 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 1.73 0.00 0.03 1.61 2.07 -1.88 -3.28 116.25 116.53 1nsh h VAL 55 Ca 0.00 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1nsh h VAL 55 Cb 0.68 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1nsh h VAL 55 CO 0.00 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.83 1nsh h LEU 56 N -0.68 -0.03 -0.60 2.57 6.46 -1.91 -3.14 115.31 117.98 1nsh h LEU 56 Ca 0.00 -0.21 0.07 0.00 -0.12 0.00 0.00 57.88 57.62 1nsh h LEU 56 Cb 0.16 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.04 1nsh h LEU 56 CO 0.00 0.19 0.29 -0.78 -0.62 0.00 0.00 178.44 177.52 1nsh h ASP 57 N -0.26 0.38 -0.07 1.25 3.58 -1.86 -0.57 116.42 118.86 1nsh h ASP 57 Ca -0.00 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1nsh h ASP 57 Cb 0.24 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1nsh h ASP 57 CO 0.01 0.25 0.09 0.03 -2.88 0.00 0.00 179.24 176.73 1nsh h ARG 58 N 0.53 0.00 0.34 0.28 3.08 -1.61 -0.96 114.38 116.04 1nsh h ARG 58 Ca 0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1nsh h ARG 58 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1nsh h ARG 58 CO -0.22 0.00 -0.16 0.52 -1.07 0.00 0.00 179.97 179.04 1nsh h MET 59 N 0.00 -0.44 -0.02 0.04 2.86 -1.05 0.30 114.93 116.62 1nsh h MET 59 Ca 0.04 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1nsh h MET 59 Cb 0.21 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1nsh h MET 59 CO -0.00 -0.14 -0.11 0.52 1.06 0.00 0.00 176.91 178.24 1nsh h MET 60 N -0.73 0.10 0.18 1.72 2.86 -1.44 0.64 114.93 118.26 1nsh h MET 60 Ca -0.05 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1nsh h MET 60 Cb 0.50 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1nsh h MET 60 CO 0.08 0.76 -0.09 1.57 1.06 0.00 0.00 176.91 180.29 1nsh h LYS 61 N -0.53 -0.24 -0.03 1.72 2.10 -1.31 -2.85 116.57 115.44 1nsh h LYS 61 Ca -0.01 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1nsh h LYS 61 Cb 0.78 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1nsh h LYS 61 CO 0.02 0.09 0.00 1.17 -2.00 0.00 0.00 179.45 178.73 1nsh n LYS 62 N -5.05 1.09 -0.21 0.07 0.00 0.09 -4.12 118.16 110.03 1nsh n LYS 62 Ca -0.09 -0.13 0.31 0.00 0.00 0.00 0.00 58.31 58.40 1nsh n LYS 62 Cb 0.23 -1.22 0.69 0.00 0.00 0.00 0.00 35.03 34.73 1nsh n LYS 62 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1nsh h LEU 63 N 0.25 0.00 -2.48 3.14 -0.00 -0.61 -3.46 115.31 112.14 1nsh h LEU 63 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.70 1nsh h LEU 63 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1nsh h LEU 63 CO 0.00 0.00 -0.81 -0.67 -0.00 0.00 0.00 178.44 176.96 1nsh n ASP 64 N -3.83 -4.16 -4.12 0.17 2.03 -1.26 -4.98 116.55 100.41 1nsh n ASP 64 Ca 0.21 0.03 -0.14 0.00 0.52 0.00 0.00 54.79 55.41 1nsh n ASP 64 Cb 1.18 -1.12 -0.11 0.00 -0.72 0.00 0.00 41.12 40.35 1nsh n ASP 64 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1nsh s LEU 65 N -1.36 2.32 -0.37 -2.67 0.05 -1.26 -5.10 118.68 110.30 1nsh s LEU 65 Ca 0.17 -0.67 0.02 0.00 0.05 0.00 0.00 54.13 53.70 1nsh s LEU 65 Cb -0.02 -0.23 0.15 0.00 -2.05 0.00 0.00 46.19 44.04 1nsh s LEU 65 CO 0.39 -0.23 0.32 0.20 -0.55 0.00 0.00 176.35 176.49 1nsh s ASN 66 N -1.97 1.74 0.00 1.48 -0.87 -1.26 -4.91 114.94 109.14 1nsh s ASN 66 Ca -0.03 -1.85 0.00 0.00 -1.57 0.00 0.00 52.86 49.42 1nsh s ASN 66 Cb -0.07 0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.39 1nsh s ASN 66 CO -0.00 -0.27 0.00 -1.20 -2.57 0.00 0.00 177.10 173.06 1nsh n SER 67 N 4.10 0.00 -1.38 -1.22 7.64 -1.26 -5.01 113.62 116.49 1nsh n SER 67 Ca 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.00 1nsh n SER 67 Cb 0.43 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.64 1nsh n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1nsh n ASP 68 N -2.62 -0.34 -0.31 6.43 2.03 -1.26 -4.96 116.55 115.52 1nsh n ASP 68 Ca 0.00 -1.03 -0.04 0.00 0.52 0.00 0.00 54.79 54.24 1nsh n ASP 68 Cb 0.11 0.14 -0.02 0.00 -0.72 0.00 0.00 41.12 40.64 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nsh n GLY 69 N -0.26 0.61 1.69 0.27 0.00 -1.26 -4.98 105.19 101.26 1nsh n GLY 69 Ca -0.06 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.62 1.41 0.00 1.61 1.13 -1.26 -5.02 117.38 113.64 1nsh n GLN 70 Ca -0.04 -1.72 0.00 0.00 -1.94 0.00 0.00 57.00 53.30 1nsh n GLN 70 Cb 0.29 0.45 0.00 0.00 0.11 0.00 0.00 30.24 31.09 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 -1.26 -4.79 117.00 120.03 1nsh n LEU 71 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 1nsh n LEU 71 Cb 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1nsh n LEU 71 CO 0.16 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.37 1nsh n ASP 72 N 0.00 0.00 0.38 -1.43 -0.08 -1.26 -4.42 116.55 109.74 1nsh n ASP 72 Ca 0.00 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.12 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 -0.26 0.12 0.00 0.00 177.20 177.06 1nsh h PHE 73 N 0.00 -1.00 0.00 -0.67 -1.00 -1.94 -2.93 116.94 109.40 1nsh h PHE 73 Ca 0.00 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 1nsh h PHE 73 Cb 0.00 0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1nsh h PHE 73 CO 0.00 -0.59 -0.35 0.37 -1.61 0.00 0.00 178.31 176.13 1nsh h GLN 74 N -1.00 0.00 -0.99 1.51 5.75 -1.96 -2.92 115.11 115.49 1nsh h GLN 74 Ca -0.10 0.00 0.32 0.00 -0.15 0.00 0.00 58.65 58.72 1nsh h GLN 74 Cb 0.78 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.18 1nsh h GLN 74 CO 0.14 0.35 0.53 0.93 -2.65 0.00 0.00 178.83 178.12 1nsh h GLU 75 N 0.00 0.28 0.16 1.69 3.07 -1.87 2.99 114.58 120.90 1nsh h GLU 75 Ca -0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1nsh h GLU 75 Cb 0.66 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1nsh h GLU 75 CO 0.05 0.19 -0.08 0.35 -1.40 0.00 0.00 179.01 178.12 1nsh h PHE 76 N 0.29 -0.20 -0.71 4.33 3.04 -1.46 1.05 116.94 123.28 1nsh h PHE 76 Ca 0.72 -0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.81 1nsh h PHE 76 Cb 1.65 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 40.18 1nsh h PHE 76 CO -0.04 0.24 0.48 -0.07 -2.02 0.00 0.00 178.31 176.89 1nsh h LEU 77 N -0.82 0.36 -0.00 0.59 3.38 -0.60 1.91 115.31 120.12 1nsh h LEU 77 Ca -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nsh h LEU 77 Cb 0.53 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1nsh h LEU 77 CO 0.04 0.19 -0.01 0.78 0.09 0.00 0.00 178.44 179.53 1nsh h ASN 78 N 0.39 0.01 0.63 -0.43 2.35 0.53 0.39 115.58 119.45 1nsh h ASN 78 Ca 0.34 -0.72 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 1nsh h ASN 78 Cb 0.80 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.17 1nsh h ASN 78 CO -0.10 0.73 -0.30 -0.07 -1.65 0.00 0.00 177.43 176.04 1nsh h LEU 79 N -0.70 -0.72 -0.21 1.61 4.07 0.26 0.15 115.31 119.77 1nsh h LEU 79 Ca -0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 1nsh h LEU 79 Cb 0.73 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 1nsh h LEU 79 CO 0.00 -0.37 0.01 -0.29 -1.08 0.00 0.00 178.44 176.72 1nsh h ILE 80 N -1.10 1.25 -0.18 1.22 -0.00 0.28 -1.82 117.51 117.15 1nsh h ILE 80 Ca -0.09 -0.84 0.04 0.00 -0.00 0.00 0.00 64.86 63.97 1nsh h ILE 80 Cb 0.69 1.39 -0.04 0.00 -0.00 0.00 0.00 36.82 38.86 1nsh h ILE 80 CO 0.14 0.26 -0.07 1.23 -0.00 0.00 0.00 178.15 179.71 1nsh h GLY 81 N 0.14 0.09 1.13 8.18 0.00 -0.25 0.15 103.07 112.50 1nsh h GLY 81 Ca 0.06 0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.61 1nsh h GLY 81 CO 0.01 -0.09 0.31 -1.33 0.00 0.00 0.00 176.54 175.44 1nsh h GLY 82 N -0.05 0.00 0.78 4.60 0.00 -0.60 -1.08 103.07 106.73 1nsh h GLY 82 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1nsh h GLY 82 CO -0.21 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.73 1nsh h LEU 83 N 0.00 0.28 -1.53 3.11 3.38 0.14 0.31 115.31 121.01 1nsh h LEU 83 Ca 0.21 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 57.97 1nsh h LEU 83 Cb 0.83 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1nsh h LEU 83 CO -0.00 0.54 0.48 0.00 0.09 0.00 0.00 178.44 179.55 1nsh h ALA 84 N 0.75 2.00 0.00 1.53 0.00 -0.15 1.62 119.26 125.01 1nsh h ALA 84 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nsh h ALA 84 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nsh h ALA 84 CO 0.01 -0.18 -0.45 0.28 0.00 0.00 0.00 179.25 178.91 1nsh h VAL 85 N 0.49 0.00 -0.13 0.00 2.07 -1.18 0.19 116.25 117.69 1nsh h VAL 85 Ca 0.35 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1nsh h VAL 85 Cb 0.68 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1nsh h VAL 85 CO -0.12 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.47 1nsh n ALA 86 N -1.98 2.41 0.00 1.67 0.00 0.58 -1.55 120.51 121.64 1nsh n ALA 86 Ca 0.03 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1nsh n ALA 86 Cb 0.49 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1nsh n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh n HIS 88 N -0.49 0.99 -2.88 0.00 -0.00 0.65 -4.74 115.22 108.75 1nsh n HIS 88 Ca 0.00 -1.91 -0.10 0.00 -0.00 0.00 0.00 57.72 55.71 1nsh n HIS 88 Cb 0.00 -1.63 -0.02 0.00 -0.00 0.00 0.00 29.99 28.34 1nsh n HIS 88 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1nsh n GLU 89 N 1.98 -2.31 -0.02 1.57 1.02 -1.26 -4.77 120.64 116.85 1nsh n GLU 89 Ca 0.50 0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.66 1nsh n GLU 89 Cb 0.67 -4.25 -0.01 0.00 -0.02 0.00 0.00 31.44 27.84 1nsh n GLU 89 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1nsh n SER 90 N -1.62 0.55 -0.09 1.62 7.64 -1.24 -4.54 113.62 115.94 1nsh n SER 90 Ca 0.03 0.26 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 1nsh n SER 90 Cb 0.45 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 62.95 1nsh n SER 90 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1nsh n PHE 91 N -3.01 0.00 -0.04 1.43 7.35 -0.59 -4.44 117.46 118.16 1nsh n PHE 91 Ca -0.03 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.77 1nsh n PHE 91 Cb 0.11 -0.79 0.51 0.00 0.35 0.00 0.00 39.48 39.66 1nsh n PHE 91 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1nsh h VAL 92 N 0.00 0.93 0.00 -2.13 -1.51 -1.77 0.22 116.25 111.99 1nsh h VAL 92 Ca -0.45 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1nsh h VAL 92 Cb 1.82 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1nsh h VAL 92 CO -0.03 0.07 0.00 0.50 -1.23 0.00 0.00 177.57 176.88 1nsh h LYS 93 N 0.38 0.00 -1.95 5.19 3.64 -1.80 -3.21 116.57 118.82 1nsh h LYS 93 Ca 0.23 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 59.12 1nsh h LYS 93 Cb 0.42 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.84 1nsh h LYS 93 CO -0.06 0.00 -1.10 0.00 -2.27 0.00 0.00 179.45 176.02 1nsh n ALA 94 N -1.85 2.62 -3.18 5.00 0.00 0.75 -4.96 120.51 118.89 1nsh n ALA 94 Ca 0.01 -3.61 -0.25 0.00 0.00 0.00 0.00 53.44 49.59 1nsh n ALA 94 Cb 0.19 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1nsh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh n ALA 95 N 0.15 3.63 -0.09 0.00 0.00 -1.11 -4.94 120.51 118.15 1nsh n ALA 95 Ca 0.25 -4.28 -0.08 0.00 0.00 0.00 0.00 53.44 49.33 1nsh n ALA 95 Cb 0.63 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 1nsh n ALA 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1nsh h PRO 96 N 3.55 0.33 0.00 0.00 0.11 -1.91 -2.27 132.00 131.81 1nsh h PRO 96 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1nsh h PRO 96 Cb 0.70 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1nsh h PRO 96 CO 0.71 0.22 0.00 -0.35 -0.21 0.00 0.00 178.00 178.37 1nsh n PRO 97 N -4.94 0.63 -0.23 1.05 -0.04 -1.26 -3.24 135.00 126.96 1nsh n PRO 97 Ca -0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1nsh n PRO 97 Cb 0.07 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.21 1nsh n PRO 97 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nsh n GLN 98 N -1.18 2.06 -1.07 0.54 1.13 -0.85 -5.04 117.38 112.95 1nsh n GLN 98 Ca 0.18 -1.48 0.14 0.00 -1.94 0.00 0.00 57.00 53.90 1nsh n GLN 98 Cb 0.19 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 1nsh n GLN 98 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nsh n LYS 99 N 0.65 -2.12 -0.06 -1.09 4.76 -1.20 -4.75 118.16 114.34 1nsh n LYS 99 Ca 0.14 1.45 -0.07 0.00 -2.87 0.00 0.00 58.31 56.96 1nsh n LYS 99 Cb 0.38 -2.61 -0.10 0.00 -1.84 0.00 0.00 35.03 30.86 1nsh n LYS 99 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1nsh n ARG 100 N -3.30 1.82 0.00 1.97 0.00 -1.26 -4.91 116.66 110.98 1nsh n ARG 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1nsh n ARG 100 Cb 0.62 -1.32 0.00 0.00 -0.00 0.00 0.00 32.46 31.76 1nsh n ARG 100 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60