#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 1.15 0.00 4.33 6.06 -1.26 -5.15 118.95 124.09 1nsh s ARG 2 Ca 0.00 -0.71 0.00 0.00 -2.50 0.00 0.00 55.73 52.52 1nsh s ARG 2 Cb 0.00 -1.16 0.00 0.00 0.06 0.00 0.00 34.95 33.85 1nsh s ARG 2 CO 0.00 0.30 0.00 -2.30 -2.50 0.00 0.00 175.30 170.80 1nsh n PRO 3 N 2.22 0.00 -3.56 5.12 -0.02 -1.26 -5.09 135.00 132.41 1nsh n PRO 3 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.19 1nsh n PRO 3 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.97 1nsh n PRO 3 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1nsh s THR 4 N 0.00 0.00 0.26 3.45 -1.32 -1.26 -4.99 115.64 111.78 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 0.31 0.00 -1.51 0.00 0.00 72.50 70.30 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 2.74 0.08 -0.28 7.08 4.81 -2.01 0.53 114.58 127.53 1nsh h GLU 5 Ca -0.21 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.92 1nsh h GLU 5 Cb 1.15 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1nsh h GLU 5 CO 0.33 0.05 -0.21 1.15 -0.73 0.00 0.00 179.01 179.61 1nsh h THR 6 N 0.08 1.26 -0.99 0.32 2.02 -1.99 -2.85 112.91 110.75 1nsh h THR 6 Ca 0.45 -1.19 0.19 0.00 0.77 0.00 0.00 66.41 66.62 1nsh h THR 6 Cb 0.81 1.27 -0.10 0.00 -1.74 0.00 0.00 68.15 68.40 1nsh h THR 6 CO -0.74 0.38 0.61 -0.08 0.37 0.00 0.00 175.52 176.07 1nsh h GLU 7 N 0.46 0.71 0.00 6.66 4.81 -0.33 0.76 114.58 127.65 1nsh h GLU 7 Ca 0.07 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1nsh h GLU 7 Cb 0.62 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1nsh h GLU 7 CO 0.04 0.47 -0.47 0.00 -0.73 0.00 0.00 179.01 178.32 1nsh h ARG 8 N 0.73 0.00 0.14 1.92 3.08 -1.25 -2.97 114.38 116.03 1nsh h ARG 8 Ca 0.56 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.60 1nsh h ARG 8 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1nsh h ARG 8 CO -0.34 0.47 -0.07 0.00 -1.07 0.00 0.00 179.97 178.96 1nsh h ILE 10 N -0.68 0.31 -0.53 0.00 5.03 -1.05 -2.15 117.51 118.44 1nsh h ILE 10 Ca -0.02 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.87 1nsh h ILE 10 Cb 0.50 0.31 -0.02 0.00 -3.03 0.00 0.00 36.82 34.58 1nsh h ILE 10 CO 0.03 0.00 0.49 -0.08 -0.68 0.00 0.00 178.15 177.91 1nsh h GLU 11 N -0.83 0.00 0.47 2.37 4.81 -1.64 -2.27 114.58 117.49 1nsh h GLU 11 Ca -0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1nsh h GLU 11 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1nsh h GLU 11 CO 0.05 0.00 -0.23 0.77 -0.73 0.00 0.00 179.01 178.88 1nsh h SER 12 N 0.00 -0.53 0.91 1.04 0.02 -1.09 -2.88 113.55 111.01 1nsh h SER 12 Ca 0.25 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1nsh h SER 12 Cb 1.22 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 1nsh h SER 12 CO -0.00 -0.23 -0.52 -0.07 -1.14 0.00 0.00 176.83 174.87 1nsh h LEU 13 N -0.85 0.00 -0.88 5.07 -0.00 -1.36 -2.98 115.31 114.31 1nsh h LEU 13 Ca -0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.72 1nsh h LEU 13 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1nsh h LEU 13 CO 0.11 0.52 -0.17 0.40 -0.00 0.00 0.00 178.44 179.29 1nsh h ILE 14 N 0.00 1.26 -0.04 1.22 2.04 -1.50 -3.13 117.51 117.37 1nsh h ILE 14 Ca -0.01 -1.19 -0.23 0.00 1.00 0.00 0.00 64.86 64.43 1nsh h ILE 14 Cb 1.11 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1nsh h ILE 14 CO 0.07 0.39 -0.92 0.00 0.00 0.00 0.00 178.15 177.69 1nsh h ALA 15 N 1.24 0.30 -0.86 1.87 0.00 -1.47 -2.23 119.26 118.12 1nsh h ALA 15 Ca 0.09 -0.67 0.15 0.00 0.00 0.00 0.00 54.91 54.48 1nsh h ALA 15 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1nsh h ALA 15 CO 0.04 0.74 0.56 -0.39 0.00 0.00 0.00 179.25 180.20 1nsh h VAL 16 N 0.35 0.80 0.00 0.00 -1.51 -1.46 0.67 116.25 115.10 1nsh h VAL 16 Ca -0.09 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1nsh h VAL 16 Cb 1.55 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1nsh h VAL 16 CO 0.17 0.11 -0.01 0.15 -1.23 0.00 0.00 177.57 176.76 1nsh h PHE 17 N 0.59 0.00 0.00 5.19 3.57 -1.54 -3.37 116.94 121.37 1nsh h PHE 17 Ca 0.43 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.87 1nsh h PHE 17 Cb 0.81 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1nsh h PHE 17 CO -0.00 0.00 -0.29 -0.56 -2.23 0.00 0.00 178.31 175.23 1nsh h GLN 18 N -1.00 0.00 -0.39 1.11 3.07 -1.29 -0.71 115.11 115.91 1nsh h GLN 18 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.82 1nsh h GLN 18 Cb 0.01 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.49 1nsh h GLN 18 CO 0.00 0.29 -0.15 -0.22 0.09 0.00 0.00 178.83 178.84 1nsh h LYS 19 N 0.00 -0.07 0.04 0.06 1.63 0.18 1.20 116.57 119.62 1nsh h LYS 19 Ca -0.00 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 1nsh h LYS 19 Cb 0.56 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1nsh h LYS 19 CO 0.04 -0.05 -1.07 1.88 -3.45 0.00 0.00 179.45 176.80 1nsh h TYR 20 N -0.08 0.18 0.00 1.91 0.05 -1.69 -3.17 116.97 114.17 1nsh h TYR 20 Ca 0.19 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1nsh h TYR 20 Cb 0.37 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1nsh h TYR 20 CO -0.39 1.09 0.00 0.00 -1.05 0.00 0.00 178.16 177.81 1nsh n ALA 21 N -2.42 1.89 -1.80 3.88 0.00 -0.28 -4.78 120.51 117.00 1nsh n ALA 21 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nsh n ALA 21 Cb 0.96 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1nsh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nsh n GLY 22 N 0.21 0.12 3.18 0.00 0.00 0.40 -4.72 105.19 104.38 1nsh n GLY 22 Ca 0.07 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.97 -1.88 0.00 1.61 5.02 -1.26 -4.95 118.16 115.74 1nsh n LYS 23 Ca 0.00 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 1nsh n LYS 23 Cb 0.00 -5.78 0.00 0.00 -0.02 0.00 0.00 35.03 29.23 1nsh n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nsh n ASP 24 N -2.66 0.00 0.00 4.39 2.03 -1.26 -5.14 116.55 113.91 1nsh n ASP 24 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1nsh n ASP 24 Cb 0.57 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 1nsh n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nsh n GLY 25 N 0.22 -0.93 3.98 0.27 0.00 -1.26 -5.13 105.19 102.33 1nsh n GLY 25 Ca 0.00 0.34 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 1nsh n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nsh s HIS 26 N 0.00 3.03 0.49 1.61 3.76 -1.26 -5.01 115.29 117.91 1nsh s HIS 26 Ca 0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1nsh s HIS 26 Cb 0.00 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1nsh s HIS 26 CO 0.00 -0.07 0.00 -1.13 -0.85 0.00 0.00 174.74 172.69 1nsh n SER 27 N -1.65 -7.94 0.00 1.40 3.41 -1.26 -5.01 113.62 102.57 1nsh n SER 27 Ca 0.01 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1nsh n SER 27 Cb 0.58 -4.57 0.00 0.00 -0.26 0.00 0.00 64.21 59.96 1nsh n SER 27 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1nsh n VAL 28 N -4.19 0.00 -1.20 -3.33 0.24 -1.26 -5.04 118.33 103.56 1nsh n VAL 28 Ca -0.05 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.38 1nsh n VAL 28 Cb 0.67 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.97 1nsh n VAL 28 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nsh n THR 29 N 0.00 -0.48 0.00 3.34 -2.24 -1.26 -4.97 114.28 108.67 1nsh n THR 29 Ca 0.00 0.59 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 1nsh n THR 29 Cb 0.00 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 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 -3.89 0.00 0.00 3.22 0.00 -1.26 -4.55 117.00 110.52 1nsh n LEU 30 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.95 1nsh n LEU 30 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.96 1nsh n LEU 30 CO 0.03 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.18 1nsh n SER 31 N 0.00 0.00 -0.19 1.96 2.88 -1.26 -3.99 113.62 113.02 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 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.19 -0.07 -1.46 -0.00 -1.96 0.14 116.57 113.41 1nsh h LYS 32 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.65 60.62 1nsh h LYS 32 Cb 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 32.19 1nsh h LYS 32 CO 0.00 0.12 -0.03 1.15 -0.00 0.00 0.00 179.45 180.70 1nsh h THR 33 N 0.19 1.32 0.00 0.07 2.02 -1.97 -0.67 112.91 113.87 1nsh h THR 33 Ca 0.43 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1nsh h THR 33 Cb 1.37 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1nsh h THR 33 CO -0.09 0.28 -0.11 -0.33 0.37 0.00 0.00 175.52 175.64 1nsh h GLU 34 N -0.23 0.00 -0.11 6.66 3.07 -1.33 -0.01 114.58 122.63 1nsh h GLU 34 Ca 0.02 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.74 1nsh h GLU 34 Cb 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1nsh h GLU 34 CO 0.01 0.11 -0.53 0.35 -1.40 0.00 0.00 179.01 177.55 1nsh h PHE 35 N 0.00 0.38 0.87 4.33 3.04 -0.51 -2.57 116.94 122.47 1nsh h PHE 35 Ca -0.00 -0.13 -0.04 0.00 3.98 0.00 0.00 57.97 61.78 1nsh h PHE 35 Cb 0.21 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1nsh h PHE 35 CO 0.00 0.77 -0.48 -0.07 -2.02 0.00 0.00 178.31 176.50 1nsh h LEU 36 N 0.24 -1.19 -1.60 0.59 3.38 0.58 -1.49 115.31 115.82 1nsh h LEU 36 Ca 0.01 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1nsh h LEU 36 Cb 1.01 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1nsh h LEU 36 CO 0.09 -0.77 0.29 0.28 0.09 0.00 0.00 178.44 178.41 1nsh h SER 37 N -1.25 0.46 0.51 -0.43 0.02 -1.55 -2.20 113.55 109.10 1nsh h SER 37 Ca -0.12 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1nsh h SER 37 Cb 0.98 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.42 1nsh h SER 37 CO 0.15 0.33 -0.25 0.15 -1.14 0.00 0.00 176.83 176.07 1nsh h PHE 38 N 0.54 -0.64 -0.13 3.45 3.57 -1.16 -1.60 116.94 120.97 1nsh h PHE 38 Ca 0.17 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1nsh h PHE 38 Cb 0.01 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1nsh h PHE 38 CO -0.00 -0.39 0.10 1.98 -2.23 0.00 0.00 178.31 177.77 1nsh h MET 39 N -0.69 0.00 0.00 1.11 4.05 -0.96 0.47 114.93 118.91 1nsh h MET 39 Ca -0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1nsh h MET 39 Cb 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 1nsh h MET 39 CO 0.12 0.00 0.00 -0.91 0.23 0.00 0.00 176.91 176.35 1nsh h ASN 40 N 0.00 0.00 0.00 1.39 2.35 -0.78 -0.05 115.58 118.49 1nsh h ASN 40 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1nsh h ASN 40 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1nsh h ASN 40 CO -0.00 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.13 1nsh n THR 41 N -3.06 0.00 0.21 2.81 -2.24 0.79 -4.45 114.28 108.34 1nsh n THR 41 Ca 0.02 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.98 1nsh n THR 41 Cb 0.38 -0.43 0.84 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.00 -1.05 -0.78 4.39 -0.50 -2.61 114.58 114.02 1nsh h GLU 42 Ca 0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 1nsh h GLU 42 Cb 0.00 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 1nsh h GLU 42 CO 0.00 0.00 -1.08 1.28 -1.16 0.00 0.00 179.01 178.05 1nsh n LEU 43 N -3.58 2.27 0.16 1.33 4.77 -0.66 -4.85 117.00 116.44 1nsh n LEU 43 Ca 0.02 -4.01 0.02 0.00 -0.03 0.00 0.00 56.01 52.01 1nsh n LEU 43 Cb 0.38 0.22 0.24 0.00 -2.33 0.00 0.00 43.42 41.93 1nsh n LEU 43 CO 0.25 1.68 0.58 0.00 -1.33 0.00 0.00 177.39 178.56 1nsh h ALA 44 N 2.85 0.98 -0.05 -1.18 0.00 -0.59 -2.81 119.26 118.45 1nsh h ALA 44 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1nsh h ALA 44 Cb 1.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nsh h ALA 44 CO 0.55 0.63 0.07 0.00 0.00 0.00 0.00 179.25 180.51 1nsh h ALA 45 N 1.49 1.56 -0.77 0.00 0.00 -1.85 0.45 119.26 120.14 1nsh h ALA 45 Ca -0.01 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1nsh h ALA 45 Cb 1.01 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.61 1nsh h ALA 45 CO 0.07 -0.10 0.36 1.19 0.00 0.00 0.00 179.25 180.77 1nsh n PHE 46 N -3.74 2.46 0.00 0.00 3.72 -1.06 -4.38 117.46 114.46 1nsh n PHE 46 Ca -0.02 -1.48 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 1nsh n PHE 46 Cb 0.16 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 1nsh n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1nsh n THR 47 N -0.67 0.00 -0.10 4.37 5.66 0.24 -4.85 114.28 118.93 1nsh n THR 47 Ca 0.46 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.33 1nsh n THR 47 Cb 1.44 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 70.11 1nsh n THR 47 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1nsh n LYS 48 N 0.00 0.74 -0.00 1.09 2.85 0.13 -4.64 118.16 118.33 1nsh n LYS 48 Ca 0.00 0.09 0.04 0.00 -1.05 0.00 0.00 58.31 57.38 1nsh n LYS 48 Cb 0.00 -1.44 -0.05 0.00 -0.65 0.00 0.00 35.03 32.89 1nsh n LYS 48 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1nsh n ASN 49 N -3.00 1.31 -3.48 -5.58 4.05 -1.26 -5.04 115.26 102.27 1nsh n ASN 49 Ca -0.36 -0.45 -0.21 0.00 0.45 0.00 0.00 54.58 54.01 1nsh n ASN 49 Cb 0.96 1.11 0.06 0.00 1.23 0.00 0.00 39.78 43.14 1nsh n ASN 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nsh n GLN 50 N -1.37 -2.94 0.08 1.20 1.13 -1.26 -4.89 117.38 109.33 1nsh n GLN 50 Ca 0.00 0.70 -0.02 0.00 -1.94 0.00 0.00 57.00 55.74 1nsh n GLN 50 Cb 0.14 -5.22 0.23 0.00 0.11 0.00 0.00 30.24 25.51 1nsh n GLN 50 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1nsh h LYS 51 N -1.55 0.30 -2.12 -1.09 1.57 -1.96 -3.33 116.57 108.37 1nsh h LYS 51 Ca -0.62 -0.13 -0.58 0.00 -1.87 0.00 0.00 60.65 57.45 1nsh h LYS 51 Cb 1.34 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.24 1nsh h LYS 51 CO 0.48 0.61 -0.92 -0.25 -0.57 0.00 0.00 179.45 178.80 1nsh n ASP 52 N -4.07 1.33 -4.66 0.86 8.00 -1.26 -5.10 116.55 111.65 1nsh n ASP 52 Ca -0.01 -2.92 -0.51 0.00 0.71 0.00 0.00 54.79 52.06 1nsh n ASP 52 Cb 0.44 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 1nsh n ASP 52 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1nsh n PRO 53 N 1.36 1.73 0.00 -0.24 -0.02 -1.25 -2.69 135.00 133.88 1nsh n PRO 53 Ca 0.24 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1nsh n PRO 53 Cb 0.48 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1nsh n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nsh n GLY 54 N 4.70 2.92 0.32 -1.23 0.00 -1.26 -5.00 105.19 105.64 1nsh n GLY 54 Ca 0.27 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 0.25 0.15 1.61 2.07 -1.84 0.93 116.25 119.42 1nsh h VAL 55 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1nsh h VAL 55 Cb 0.00 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1nsh h VAL 55 CO 0.00 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 177.77 1nsh h LEU 56 N -0.19 -0.18 -1.66 2.57 6.46 -1.89 -3.21 115.31 117.21 1nsh h LEU 56 Ca 0.21 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 57.71 1nsh h LEU 56 Cb 0.52 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1nsh h LEU 56 CO -0.58 0.24 0.32 0.44 -0.62 0.00 0.00 178.44 178.24 1nsh h ASP 57 N -0.63 0.37 0.34 1.25 5.19 -1.87 0.23 116.42 121.30 1nsh h ASP 57 Ca -0.02 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1nsh h ASP 57 Cb 0.47 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1nsh h ASP 57 CO 0.03 0.24 -0.22 -0.09 -3.12 0.00 0.00 179.24 176.09 1nsh h ARG 58 N 0.42 -0.52 0.03 3.56 9.65 0.88 0.76 114.38 129.15 1nsh h ARG 58 Ca 0.20 0.04 -0.21 0.00 -1.10 0.00 0.00 59.98 58.91 1nsh h ARG 58 Cb 0.28 0.12 0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1nsh h ARG 58 CO -0.05 -0.35 -0.83 0.52 2.80 0.00 0.00 179.97 182.07 1nsh h MET 59 N -0.54 0.51 0.17 0.20 2.86 -1.55 -2.18 114.93 114.40 1nsh h MET 59 Ca -0.04 -0.59 -0.01 0.00 -2.06 0.00 0.00 59.70 57.01 1nsh h MET 59 Cb 0.45 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1nsh h MET 59 CO 0.03 1.22 -0.08 0.52 1.06 0.00 0.00 176.91 179.66 1nsh h MET 60 N 0.06 -0.21 0.08 1.72 2.86 -0.97 -0.63 114.93 117.85 1nsh h MET 60 Ca -0.11 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1nsh h MET 60 Cb 1.53 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1nsh h MET 60 CO 0.16 0.20 -0.04 1.57 1.06 0.00 0.00 176.91 179.86 1nsh h LYS 61 N -0.88 -0.11 -0.02 1.72 2.10 0.35 -3.07 116.57 116.66 1nsh h LYS 61 Ca -0.02 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1nsh h LYS 61 Cb 0.52 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1nsh h LYS 61 CO 0.04 0.37 0.00 1.63 -2.00 0.00 0.00 179.45 179.48 1nsh n LYS 62 N -4.90 1.05 -0.34 0.07 4.01 -0.82 -4.19 118.16 113.04 1nsh n LYS 62 Ca -0.08 -0.07 0.36 0.00 -0.51 0.00 0.00 58.31 58.00 1nsh n LYS 62 Cb 0.27 -1.14 0.68 0.00 -0.51 0.00 0.00 35.03 34.32 1nsh n LYS 62 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 1nsh h LEU 63 N 0.13 0.00 -3.77 -0.35 -0.00 -1.00 -3.45 115.31 106.87 1nsh h LEU 63 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.38 1nsh h LEU 63 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1nsh h LEU 63 CO 0.00 0.00 -0.95 0.47 -0.00 0.00 0.00 178.44 177.96 1nsh n ASP 64 N -3.75 -3.93 0.00 0.17 8.00 -1.26 -4.88 116.55 110.90 1nsh n ASP 64 Ca 0.27 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1nsh n ASP 64 Cb 1.46 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1nsh n ASP 64 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nsh n LEU 65 N -3.64 0.00 -2.46 0.64 4.77 -1.26 -4.79 117.00 110.26 1nsh n LEU 65 Ca -0.19 0.98 -0.04 0.00 -0.03 0.00 0.00 56.01 56.73 1nsh n LEU 65 Cb 0.56 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nsh n LEU 65 CO 0.62 -0.48 -0.05 -0.46 -1.33 0.00 0.00 177.39 175.69 1nsh n ASN 66 N -2.15 -1.95 0.00 -1.43 6.94 -1.26 -4.79 115.26 110.63 1nsh n ASN 66 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.96 1nsh n ASN 66 Cb 0.00 -1.76 0.00 0.00 -2.36 0.00 0.00 39.78 35.66 1nsh n ASN 66 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1nsh n SER 67 N -1.57 0.00 -2.04 0.53 2.88 -1.26 -4.91 113.62 107.25 1nsh n SER 67 Ca -0.05 0.02 0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1nsh n SER 67 Cb 0.53 -0.32 0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1nsh n SER 67 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nsh n ASP 68 N -2.08 0.83 -2.50 -3.46 5.68 -1.26 -4.97 116.55 108.80 1nsh n ASP 68 Ca 0.00 -2.02 -0.18 0.00 -0.50 0.00 0.00 54.79 52.08 1nsh n ASP 68 Cb 0.00 -0.23 0.03 0.00 -1.14 0.00 0.00 41.12 39.78 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 -0.11 -0.29 3.62 6.12 0.00 -1.26 -4.99 105.19 108.28 1nsh n GLY 69 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1nsh n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nsh s GLN 70 N -5.49 1.52 0.00 1.61 -1.52 -1.26 -5.10 119.66 109.42 1nsh s GLN 70 Ca 0.25 -0.89 0.00 0.00 -1.95 0.00 0.00 55.36 52.77 1nsh s GLN 70 Cb -0.11 0.55 0.00 0.00 -0.22 0.00 0.00 33.01 33.23 1nsh s GLN 70 CO 0.31 -0.66 0.00 1.28 -0.25 0.00 0.00 175.29 175.97 1nsh n LEU 71 N -0.39 0.00 0.00 2.90 7.99 -1.26 -4.75 117.00 121.49 1nsh n LEU 71 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 1nsh n LEU 71 Cb 0.62 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 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 -0.06 -1.43 -0.08 -1.26 -4.68 116.55 109.04 1nsh n ASP 72 Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 1nsh n ASP 72 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 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 0.00 0.01 -0.67 -0.00 -1.98 -3.36 116.94 110.94 1nsh h PHE 73 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.97 57.77 1nsh h PHE 73 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 1nsh h PHE 73 CO 0.00 0.33 -0.94 0.37 -0.00 0.00 0.00 178.31 178.07 1nsh h GLN 74 N -1.00 0.05 -0.81 6.09 5.75 -1.98 -3.24 115.11 119.96 1nsh h GLN 74 Ca -0.03 -0.07 0.18 0.00 -0.15 0.00 0.00 58.65 58.59 1nsh h GLN 74 Cb 0.43 0.02 -0.15 0.00 1.07 0.00 0.00 27.48 28.85 1nsh h GLN 74 CO -0.02 0.95 -0.06 0.93 -2.65 0.00 0.00 178.83 177.98 1nsh h GLU 75 N 0.02 0.05 0.22 1.69 5.08 -1.94 1.76 114.58 121.47 1nsh h GLU 75 Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1nsh h GLU 75 Cb 1.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1nsh h GLU 75 CO 0.13 0.04 -0.11 0.35 -1.00 0.00 0.00 179.01 178.42 1nsh h PHE 76 N 0.05 -0.28 -0.97 4.33 3.04 -1.70 1.70 116.94 123.11 1nsh h PHE 76 Ca 0.43 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.53 1nsh h PHE 76 Cb 0.76 0.09 -0.09 0.00 2.56 0.00 0.00 35.95 39.27 1nsh h PHE 76 CO -0.51 0.01 0.61 -0.07 -2.02 0.00 0.00 178.31 176.34 1nsh h LEU 77 N -0.56 0.78 -0.10 0.59 3.38 -0.80 1.06 115.31 119.66 1nsh h LEU 77 Ca -0.03 0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 1nsh h LEU 77 Cb 0.41 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1nsh h LEU 77 CO 0.05 0.36 -1.00 -1.13 0.09 0.00 0.00 178.44 176.81 1nsh h ASN 78 N 0.81 0.60 0.68 -0.43 -1.24 0.28 1.36 115.58 117.65 1nsh h ASN 78 Ca 0.51 -0.50 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 1nsh h ASN 78 Cb 0.73 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 39.60 1nsh h ASN 78 CO -0.28 1.31 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.77 1nsh h LEU 79 N 0.25 -0.78 0.04 0.34 -0.00 0.59 0.21 115.31 115.96 1nsh h LEU 79 Ca -0.10 0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.64 1nsh h LEU 79 Cb 1.65 0.20 0.01 0.00 -0.00 0.00 0.00 40.66 42.53 1nsh h LEU 79 CO 0.18 -0.51 -0.62 -0.29 -0.00 0.00 0.00 178.44 177.20 1nsh h ILE 80 N -0.99 1.47 -0.32 1.22 -0.00 0.89 -3.06 117.51 116.72 1nsh h ILE 80 Ca -0.09 -2.21 0.07 0.00 -0.00 0.00 0.00 64.86 62.62 1nsh h ILE 80 Cb 0.72 2.82 -0.07 0.00 -0.00 0.00 0.00 36.82 40.30 1nsh h ILE 80 CO 0.15 0.63 -0.12 1.23 -0.00 0.00 0.00 178.15 180.05 1nsh h GLY 81 N -0.25 0.16 1.23 8.18 0.00 0.18 0.34 103.07 112.90 1nsh h GLY 81 Ca -0.09 0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.49 1nsh h GLY 81 CO 0.12 -0.15 0.30 -1.33 0.00 0.00 0.00 176.54 175.48 1nsh h GLY 82 N -0.06 0.20 0.89 4.60 0.00 -0.67 -0.64 103.07 107.38 1nsh h GLY 82 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1nsh h GLY 82 CO -0.36 0.04 -0.02 1.41 0.00 0.00 0.00 176.54 177.61 1nsh h LEU 83 N 0.14 0.56 -1.62 3.11 3.38 -0.30 -0.15 115.31 120.43 1nsh h LEU 83 Ca 0.20 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1nsh h LEU 83 Cb 0.61 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1nsh h LEU 83 CO -0.03 0.75 0.44 0.00 0.09 0.00 0.00 178.44 179.69 1nsh h ALA 84 N 0.83 2.05 0.00 1.53 0.00 0.47 1.12 119.26 125.25 1nsh h ALA 84 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nsh h ALA 84 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1nsh h ALA 84 CO 0.02 -0.20 -0.47 -0.39 0.00 0.00 0.00 179.25 178.21 1nsh h VAL 85 N 0.42 0.00 -0.16 0.00 -1.51 -1.05 0.24 116.25 114.18 1nsh h VAL 85 Ca 0.31 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1nsh h VAL 85 Cb 0.64 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1nsh h VAL 85 CO -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.25 1nsh n ALA 86 N -2.01 2.34 0.00 5.19 0.00 0.28 -2.37 120.51 123.94 1nsh n ALA 86 Ca 0.03 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1nsh n ALA 86 Cb 0.50 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.05 1.53 -0.73 0.00 5.04 0.84 -4.96 115.29 115.97 1nsh s HIS 88 Ca 0.00 -0.37 -0.26 0.00 -1.54 0.00 0.00 55.06 52.90 1nsh s HIS 88 Cb 0.00 -2.85 -0.09 0.00 0.04 0.00 0.00 32.58 29.68 1nsh s HIS 88 CO 0.00 -1.62 2.24 -1.21 -2.34 0.00 0.00 174.74 171.81 1nsh s GLU 89 N -5.06 2.05 0.00 2.88 0.41 -1.24 -4.28 118.70 113.47 1nsh s GLU 89 Ca 0.66 0.54 0.00 0.00 -0.41 0.00 0.00 54.97 55.75 1nsh s GLU 89 Cb -0.05 -4.75 0.00 0.00 -1.78 0.00 0.00 34.13 27.54 1nsh s GLU 89 CO 0.43 -3.73 0.00 -1.13 -0.49 0.00 0.00 175.26 170.34 1nsh n SER 90 N 16.27 0.00 0.00 -0.19 3.41 -1.25 -4.93 113.62 126.93 1nsh n SER 90 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1nsh n SER 90 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1nsh n SER 90 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1nsh n PHE 91 N 0.00 0.00 0.29 7.33 -0.00 -1.26 -3.99 117.46 119.83 1nsh n PHE 91 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.61 1nsh n PHE 91 Cb 0.00 0.00 0.91 0.00 -0.00 0.00 0.00 39.48 40.39 1nsh n PHE 91 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 1nsh h VAL 92 N 0.00 0.44 -0.15 -2.13 3.04 -1.72 -1.97 116.25 113.76 1nsh h VAL 92 Ca 0.00 -0.16 0.04 0.00 -1.01 0.00 0.00 66.70 65.58 1nsh h VAL 92 Cb 0.00 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 1nsh h VAL 92 CO 0.00 0.03 0.26 0.07 -1.01 0.00 0.00 177.57 176.92 1nsh h LYS 93 N 0.00 0.00 -0.69 4.17 2.10 -1.74 0.28 116.57 120.68 1nsh h LYS 93 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nsh h LYS 93 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1nsh h LYS 93 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 1nsh n ALA 94 N -2.17 3.39 -0.10 0.07 0.00 -0.74 -4.32 120.51 116.64 1nsh n ALA 94 Ca 0.01 -1.31 -0.18 0.00 0.00 0.00 0.00 53.44 51.97 1nsh n ALA 94 Cb 0.36 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 0.49 1.29 -0.25 0.00 0.00 0.98 -4.48 120.51 118.54 1nsh n ALA 95 Ca 0.19 -0.86 0.02 0.00 0.00 0.00 0.00 53.44 52.80 1nsh n ALA 95 Cb 0.88 0.13 0.15 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.88 0.56 -1.01 0.00 0.11 -1.75 -1.79 132.00 127.25 1nsh h PRO 96 Ca -0.34 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 1nsh h PRO 96 Cb 1.24 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1nsh h PRO 96 CO -0.20 0.37 0.18 -0.35 -0.21 0.00 0.00 178.00 177.79 1nsh n PRO 97 N -4.88 1.34 -1.25 1.05 -0.04 -1.26 -3.61 135.00 126.34 1nsh n PRO 97 Ca 0.12 -0.81 -0.06 0.00 -0.04 0.00 0.00 63.50 62.71 1nsh n PRO 97 Cb 0.30 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.07 0.18 -1.87 0.54 1.13 -0.68 -4.94 117.38 111.81 1nsh n GLN 98 Ca 0.16 -1.11 -0.02 0.00 -1.94 0.00 0.00 57.00 54.09 1nsh n GLN 98 Cb 0.81 0.44 0.06 0.00 0.11 0.00 0.00 30.24 31.67 1nsh n GLN 98 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1nsh n LYS 99 N -0.17 1.51 0.00 -1.09 -0.00 -1.17 -4.84 118.16 112.41 1nsh n LYS 99 Ca -0.24 -3.12 0.00 0.00 -0.00 0.00 0.00 58.31 54.94 1nsh n LYS 99 Cb 0.75 -1.23 0.00 0.00 -0.00 0.00 0.00 35.03 34.55 1nsh n LYS 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1nsh n ARG 100 N -0.37 0.00 0.00 -1.58 0.63 -1.26 -5.10 116.66 108.98 1nsh n ARG 100 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1nsh n ARG 100 Cb 0.92 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.79 1nsh n ARG 100 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46